smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](O)CC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000082996733 349444839 /nfs/dbraw/zinc/44/48/39/349444839.db2.gz JNOSWKJVYAJZRU-SSDOTTSWSA-N -1 3 248.279 0.270 20 0 BCADHM CCCCCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000408145929 136210994 /nfs/dbraw/zinc/21/09/94/136210994.db2.gz VYSFZVIQQFOWDM-VIFPVBQESA-N -1 3 225.292 0.413 20 0 BCADHM CC[C@H](CCO)NC(=O)c1cccc2nn[n-]c21 ZINC000188499872 346817223 /nfs/dbraw/zinc/81/72/23/346817223.db2.gz YXLJTKNHWBUDBR-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@H](CCO)NC(=O)c1cccc2[n-]nnc21 ZINC000188499872 346817226 /nfs/dbraw/zinc/81/72/26/346817226.db2.gz YXLJTKNHWBUDBR-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@H](CCO)NC(=O)c1cccc2n[n-]nc21 ZINC000188499872 346817231 /nfs/dbraw/zinc/81/72/31/346817231.db2.gz YXLJTKNHWBUDBR-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM COc1ccc(CN(C)[C@@H](C)C(=O)[O-])cn1 ZINC000163009313 187322891 /nfs/dbraw/zinc/32/28/91/187322891.db2.gz HKBXTGBIQZGBBB-QMMMGPOBSA-N -1 3 224.260 0.995 20 0 BCADHM Cc1ccc(C(=O)NCC(N)=O)c([O-])c1C ZINC000299224126 398149448 /nfs/dbraw/zinc/14/94/48/398149448.db2.gz NMXWHJXDHFGBEX-UHFFFAOYSA-N -1 3 222.244 0.224 20 0 BCADHM CC[C@@H](CCO)NC(=O)c1cccc2nn[n-]c21 ZINC000188499845 346816686 /nfs/dbraw/zinc/81/66/86/346816686.db2.gz YXLJTKNHWBUDBR-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@H](CCO)NC(=O)c1cccc2[n-]nnc21 ZINC000188499845 346816689 /nfs/dbraw/zinc/81/66/89/346816689.db2.gz YXLJTKNHWBUDBR-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@H](CCO)NC(=O)c1cccc2n[n-]nc21 ZINC000188499845 346816693 /nfs/dbraw/zinc/81/66/93/346816693.db2.gz YXLJTKNHWBUDBR-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM Cc1ccc(/C=C\C(=O)[N-]OCC(N)=O)cc1 ZINC000309996061 229478869 /nfs/dbraw/zinc/47/88/69/229478869.db2.gz VASDCAXDAYYMRF-SREVYHEPSA-N -1 3 234.255 0.541 20 0 BCADHM Cc1cc(CS(=O)(=O)[N-]CC(C)(C)O)on1 ZINC000331273121 178050543 /nfs/dbraw/zinc/05/05/43/178050543.db2.gz MHMISYLDBVSMRV-UHFFFAOYSA-N -1 3 248.304 0.173 20 0 BCADHM C[C@H](CO)CCCNC(=O)c1cc(=O)[n-]cn1 ZINC000626285264 398183888 /nfs/dbraw/zinc/18/38/88/398183888.db2.gz ZQPTWZBXGUGFFP-QMMMGPOBSA-N -1 3 239.275 0.321 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(CO)CC1 ZINC000162426372 538922565 /nfs/dbraw/zinc/92/25/65/538922565.db2.gz TXSNQXWUGCNNBX-UHFFFAOYSA-N -1 3 246.288 0.095 20 0 BCADHM CCC(CC)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297926852 168342300 /nfs/dbraw/zinc/34/23/00/168342300.db2.gz YEWWXDSFEVFGKX-UHFFFAOYSA-N -1 3 225.252 0.278 20 0 BCADHM CCC(CC)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297926852 168342302 /nfs/dbraw/zinc/34/23/02/168342302.db2.gz YEWWXDSFEVFGKX-UHFFFAOYSA-N -1 3 225.252 0.278 20 0 BCADHM CCC(CC)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297926852 168342303 /nfs/dbraw/zinc/34/23/03/168342303.db2.gz YEWWXDSFEVFGKX-UHFFFAOYSA-N -1 3 225.252 0.278 20 0 BCADHM CCC[C@H](O)CNC(=O)Cc1cncc([O-])c1 ZINC000576359604 365576909 /nfs/dbraw/zinc/57/69/09/365576909.db2.gz JLFSTCYLGKLICU-JTQLQIEISA-N -1 3 238.287 0.607 20 0 BCADHM Cc1cc(NC(=O)c2nc[n-]n2)c(=O)n(C)c1 ZINC000358457411 178153907 /nfs/dbraw/zinc/15/39/07/178153907.db2.gz BTGNRXFRLHAICH-UHFFFAOYSA-N -1 3 233.231 0.064 20 0 BCADHM CC(=O)N1CC(NC(=O)c2cccc(C)c2[O-])C1 ZINC000175782021 365595420 /nfs/dbraw/zinc/59/54/20/365595420.db2.gz XPZGMXXSOVPILE-UHFFFAOYSA-N -1 3 248.282 0.661 20 0 BCADHM COc1cc(=NC(=O)[C@H]2CC2(F)F)[n-]n1C ZINC000649425644 398227938 /nfs/dbraw/zinc/22/79/38/398227938.db2.gz CEFDOIIRLCJUJK-RXMQYKEDSA-N -1 3 231.202 0.444 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CCC(N)=O)n1 ZINC000286502433 178202789 /nfs/dbraw/zinc/20/27/89/178202789.db2.gz PVAKRCLSLXSGBV-MRVPVSSYSA-N -1 3 238.291 0.359 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)SC[C@@H](O)CO)n1 ZINC000121791134 178203525 /nfs/dbraw/zinc/20/35/25/178203525.db2.gz QXOYAVSPVKEHNZ-SFYZADRCSA-N -1 3 244.316 0.638 20 0 BCADHM C/C=C\C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000625557886 343988779 /nfs/dbraw/zinc/98/87/79/343988779.db2.gz KOMQKSWRRWXGSE-ARJAWSKDSA-N -1 3 215.278 0.275 20 0 BCADHM CC[C@H](CO)N(C)C(=O)Cc1cncc([O-])c1 ZINC000576597007 365636158 /nfs/dbraw/zinc/63/61/58/365636158.db2.gz FOFJDKMPTFLXTD-SNVBAGLBSA-N -1 3 238.287 0.559 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2c[n-]nn2)CCO1 ZINC000220134771 398251195 /nfs/dbraw/zinc/25/11/95/398251195.db2.gz QYFINMPWWFZWKO-RNFRBKRXSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cnn[n-]2)CCO1 ZINC000220134771 398251196 /nfs/dbraw/zinc/25/11/96/398251196.db2.gz QYFINMPWWFZWKO-RNFRBKRXSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cn[n-]n2)CCO1 ZINC000220134771 398251198 /nfs/dbraw/zinc/25/11/98/398251198.db2.gz QYFINMPWWFZWKO-RNFRBKRXSA-N -1 3 210.237 0.102 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)NCCN1CCCC1 ZINC000649461079 398262398 /nfs/dbraw/zinc/26/23/98/398262398.db2.gz ADNLNVRLJOMZFM-JTQLQIEISA-N -1 3 242.319 0.555 20 0 BCADHM Cc1ccc(C(=O)N2CCN(C)C(=O)C2)c([O-])c1 ZINC000084204557 178390509 /nfs/dbraw/zinc/39/05/09/178390509.db2.gz MWAAPRAKJPNUMN-UHFFFAOYSA-N -1 3 248.282 0.615 20 0 BCADHM Cc1ccc(C(=O)N2CCNC(=O)C2)c([O-])c1 ZINC000019837727 178392002 /nfs/dbraw/zinc/39/20/02/178392002.db2.gz BDHSKCGJGVUDFP-UHFFFAOYSA-N -1 3 234.255 0.273 20 0 BCADHM Cc1ccc(C(=O)N2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000225896806 178396801 /nfs/dbraw/zinc/39/68/01/178396801.db2.gz GBRKQEPMULEKDC-VIFPVBQESA-N -1 3 248.282 0.648 20 0 BCADHM C[C@@H]1CC[C@H](C)CN1Cc1nc(=O)n(C)[n-]1 ZINC000335143433 136233440 /nfs/dbraw/zinc/23/34/40/136233440.db2.gz PAVCDLHSFDBMCM-DTWKUNHWSA-N -1 3 224.308 0.729 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC(=O)N1 ZINC000082258983 398272195 /nfs/dbraw/zinc/27/21/95/398272195.db2.gz VAJYFNYFYACRIL-LURJTMIESA-N -1 3 221.216 0.004 20 0 BCADHM O=C([O-])CN(CC1CC1)C(=O)[C@@H]1CCCCN1 ZINC000040483184 538971907 /nfs/dbraw/zinc/97/19/07/538971907.db2.gz COOLDOWEPQUKJS-JTQLQIEISA-N -1 3 240.303 0.452 20 0 BCADHM CC[C@@H]1CCCCN1CC(=O)NCC(=O)[O-] ZINC000033433879 342804796 /nfs/dbraw/zinc/80/47/96/342804796.db2.gz KWDXDQXSMUSDBK-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM CC(C)c1noc(=NCCN2CC[C@H](O)C2)[n-]1 ZINC000624773356 342827509 /nfs/dbraw/zinc/82/75/09/342827509.db2.gz HZWPHUWPOSXRTH-VIFPVBQESA-N -1 3 240.307 0.093 20 0 BCADHM COCc1nc(=NC[C@@H](C)N(C)C)s[n-]1 ZINC000380248474 538988018 /nfs/dbraw/zinc/98/80/18/538988018.db2.gz ORRSMPHANRKRMH-SSDOTTSWSA-N -1 3 230.337 0.468 20 0 BCADHM COCc1nsc(=NC[C@@H](C)N(C)C)[n-]1 ZINC000380248474 538988019 /nfs/dbraw/zinc/98/80/19/538988019.db2.gz ORRSMPHANRKRMH-SSDOTTSWSA-N -1 3 230.337 0.468 20 0 BCADHM Cn1cc(CNC(=O)c2c([O-])cccc2O)nn1 ZINC000390004403 539019933 /nfs/dbraw/zinc/01/99/33/539019933.db2.gz VSCDHRNKGJXZKE-UHFFFAOYSA-N -1 3 248.242 0.156 20 0 BCADHM C[C@@H]1COCCN(Cc2n[n-]c(=O)s2)C1 ZINC000367062211 136242502 /nfs/dbraw/zinc/24/25/02/136242502.db2.gz KWXRGDSYHHGUEA-ZETCQYMHSA-N -1 3 229.305 0.712 20 0 BCADHM O=C(C1CC=CC1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329433560 398309708 /nfs/dbraw/zinc/30/97/08/398309708.db2.gz KYGJCKPDRHLXLC-SECBINFHSA-N -1 3 249.270 0.556 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CCNC(=O)[C@@H]1C ZINC000625150758 342895069 /nfs/dbraw/zinc/89/50/69/342895069.db2.gz IKPDPWOJCDPDII-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM CCC[C@@H]([N-]S(=O)(=O)c1ccoc1)C(N)=O ZINC000352538014 398319328 /nfs/dbraw/zinc/31/93/28/398319328.db2.gz DCGWMECLKGNNNO-MRVPVSSYSA-N -1 3 246.288 0.212 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCCCO)c1 ZINC000035102450 342882577 /nfs/dbraw/zinc/88/25/77/342882577.db2.gz PPXMIBINQJJWTQ-UHFFFAOYSA-N -1 3 209.245 0.813 20 0 BCADHM C[C@@H](CO)NC(=O)c1ccc(O)cc1[O-] ZINC000035205525 342885648 /nfs/dbraw/zinc/88/56/48/342885648.db2.gz HCEJSBMKIOYQAW-LURJTMIESA-N -1 3 211.217 0.208 20 0 BCADHM CC[C@@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000233890853 342913276 /nfs/dbraw/zinc/91/32/76/342913276.db2.gz VXYJXKTVXMJXQQ-DJLDLDEBSA-N -1 3 228.292 0.435 20 0 BCADHM CO[C@H]1CCCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000625223772 342921101 /nfs/dbraw/zinc/92/11/01/342921101.db2.gz PVKSUVRLBMGSDD-QMMMGPOBSA-N -1 3 237.259 0.433 20 0 BCADHM Cc1[n-]n(CCN(C)C)c(=O)c1C1CC1 ZINC000634589372 342935162 /nfs/dbraw/zinc/93/51/62/342935162.db2.gz WSCWDBDBUQVLQG-JTQLQIEISA-N -1 3 209.293 0.792 20 0 BCADHM C[C@H]1CCc2[n-]n(CCN(C)C)c(=O)c21 ZINC000634590036 342937096 /nfs/dbraw/zinc/93/70/96/342937096.db2.gz OMVWYKYQUWBBNI-WCBMZHEXSA-N -1 3 209.293 0.792 20 0 BCADHM CN(C)CCn1[n-]c(C[C@H]2CCCO2)cc1=O ZINC000634589906 342937216 /nfs/dbraw/zinc/93/72/16/342937216.db2.gz LFNHPZBFWRWKOB-LLVKDONJSA-N -1 3 239.319 0.705 20 0 BCADHM CN(C)CCn1[n-]c(-c2ccc[nH]2)cc1=O ZINC000634590419 342937480 /nfs/dbraw/zinc/93/74/80/342937480.db2.gz ZCRFJKRDUVLFRW-UHFFFAOYSA-N -1 3 220.276 0.513 20 0 BCADHM C[C@@H]1CCc2c1[n-]n(CCN(C)C)c2=O ZINC000634590374 342937634 /nfs/dbraw/zinc/93/76/34/342937634.db2.gz XMOPNRODNLBXLA-BDAKNGLRSA-N -1 3 209.293 0.792 20 0 BCADHM C[C@H]1CCc2c1[n-]n(CCN(C)C)c2=O ZINC000634590376 342937694 /nfs/dbraw/zinc/93/76/94/342937694.db2.gz XMOPNRODNLBXLA-IUCAKERBSA-N -1 3 209.293 0.792 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC(n2ccnc2)C1 ZINC000625617361 344020153 /nfs/dbraw/zinc/02/01/53/344020153.db2.gz ZMRBLLGTVPRBPV-UHFFFAOYSA-N -1 3 245.242 0.076 20 0 BCADHM CCn1ccnc1/C=C/C(=O)[N-]OCCCO ZINC000493492792 529555148 /nfs/dbraw/zinc/55/51/48/529555148.db2.gz RVHJTAPUYPBOFQ-SNAWJCMRSA-N -1 3 239.275 0.346 20 0 BCADHM COCCn1ncc2cc([O-])ccc2c1=O ZINC000634597585 342974339 /nfs/dbraw/zinc/97/43/39/342974339.db2.gz NYABQUKTSHSJQT-UHFFFAOYSA-N -1 3 220.228 0.749 20 0 BCADHM CCN1CCC(n2[n-]c(COC)cc2=O)CC1 ZINC000634602032 342997245 /nfs/dbraw/zinc/99/72/45/342997245.db2.gz DSZMTJHVNBTJQA-UHFFFAOYSA-N -1 3 239.319 0.705 20 0 BCADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000625641971 344022970 /nfs/dbraw/zinc/02/29/70/344022970.db2.gz JDVKQJPMWFRGFN-ZKCHVHJHSA-N -1 3 231.273 0.735 20 0 BCADHM CCc1ccc(/C=C\C(=O)[N-]OCC(N)=O)o1 ZINC000492588445 529587655 /nfs/dbraw/zinc/58/76/55/529587655.db2.gz ILMDJOOBBITPMV-WAYWQWQTSA-N -1 3 238.243 0.388 20 0 BCADHM C[C@H](CO)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000083220315 349748663 /nfs/dbraw/zinc/74/86/63/349748663.db2.gz XPKACUYTWAUKAX-ZETCQYMHSA-N -1 3 248.279 0.127 20 0 BCADHM CC[C@H](O)Cn1[n-]c(=O)c2ccccc2c1=O ZINC000634629116 343036537 /nfs/dbraw/zinc/03/65/37/343036537.db2.gz NHRFIABFEFJKFB-QMMMGPOBSA-N -1 3 234.255 0.873 20 0 BCADHM COCC(COC)n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634635228 343047537 /nfs/dbraw/zinc/04/75/37/343047537.db2.gz ZTLUNJOHDQUCHL-KWQFWETISA-N -1 3 240.303 0.892 20 0 BCADHM CC(C)(O)Cn1ncc2cc([O-])ccc2c1=O ZINC000634634811 343048802 /nfs/dbraw/zinc/04/88/02/343048802.db2.gz LBRVIAADFGBOPF-UHFFFAOYSA-N -1 3 234.255 0.873 20 0 BCADHM CN(Cc1ncccc1[O-])CC(C)(CO)CO ZINC000576862983 365704963 /nfs/dbraw/zinc/70/49/63/365704963.db2.gz ILMKCBVTXMKTEA-UHFFFAOYSA-N -1 3 240.303 0.210 20 0 BCADHM CC(C)C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(=O)[O-] ZINC000040471239 187230943 /nfs/dbraw/zinc/23/09/43/187230943.db2.gz ZXDUGJVAMJVVBM-DTWKUNHWSA-N -1 3 244.335 0.975 20 0 BCADHM COc1cccnc1NC(=O)c1cnn[n-]1 ZINC000238380272 259347867 /nfs/dbraw/zinc/34/78/67/259347867.db2.gz OHXBSKGDQWXENA-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1cccnc1NC(=O)c1c[n-]nn1 ZINC000238380272 259347869 /nfs/dbraw/zinc/34/78/69/259347869.db2.gz OHXBSKGDQWXENA-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1cccnc1NC(=O)c1cn[n-]n1 ZINC000238380272 259347871 /nfs/dbraw/zinc/34/78/71/259347871.db2.gz OHXBSKGDQWXENA-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM CCCC(=O)N[C@@H]1CCCN(CC(=O)[O-])C1 ZINC000390291010 343078665 /nfs/dbraw/zinc/07/86/65/343078665.db2.gz YSNCINDRFHFYHR-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM O=C([O-])CN(C[C@@H](O)C(F)(F)F)C1CC1 ZINC000082681317 362100167 /nfs/dbraw/zinc/10/01/67/362100167.db2.gz CSCBKBDIMAQKGC-ZCFIWIBFSA-N -1 3 227.182 0.459 20 0 BCADHM CC(C)N(CC(=O)[O-])C[C@@H](O)C(F)(F)F ZINC000082681313 362100185 /nfs/dbraw/zinc/10/01/85/362100185.db2.gz QWNBSQSLZNDFGQ-ZCFIWIBFSA-N -1 3 229.198 0.705 20 0 BCADHM CCOCCN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000576879314 365712821 /nfs/dbraw/zinc/71/28/21/365712821.db2.gz FROULNYKMVMZSZ-NSHDSACASA-N -1 3 245.319 0.979 20 0 BCADHM C[C@@H](C(=O)[O-])C(=O)NCCN1CCCCCC1 ZINC000122086649 343158291 /nfs/dbraw/zinc/15/82/91/343158291.db2.gz VMSLJXGGTOUNOW-SNVBAGLBSA-N -1 3 242.319 0.699 20 0 BCADHM COc1nnc(NC(=O)CCc2cccnc2)[n-]1 ZINC000126834467 343171506 /nfs/dbraw/zinc/17/15/06/343171506.db2.gz ARAVCQYODHGJLO-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM COc1nc(NC(=O)CCc2cccnc2)n[n-]1 ZINC000126834467 343171509 /nfs/dbraw/zinc/17/15/09/343171509.db2.gz ARAVCQYODHGJLO-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM COc1n[n-]c(NC(=O)CCc2cccnc2)n1 ZINC000126834467 343171511 /nfs/dbraw/zinc/17/15/11/343171511.db2.gz ARAVCQYODHGJLO-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM O=C([O-])c1cnccc1NCCCn1ccnn1 ZINC000127328908 343172697 /nfs/dbraw/zinc/17/26/97/343172697.db2.gz VODSAICLEDRMCD-UHFFFAOYSA-N -1 3 247.258 0.874 20 0 BCADHM CSCC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000608913000 343242794 /nfs/dbraw/zinc/24/27/94/343242794.db2.gz IUEDTBHZDOXNNY-UHFFFAOYSA-N -1 3 249.361 0.370 20 0 BCADHM COCCCNC(=O)NCc1ncccc1[O-] ZINC000349103008 136323315 /nfs/dbraw/zinc/32/33/15/136323315.db2.gz MGSBLQVZMGIUOV-UHFFFAOYSA-N -1 3 239.275 0.623 20 0 BCADHM COC(=O)CCNC(=O)c1ccc(O)cc1[O-] ZINC000040430301 343402499 /nfs/dbraw/zinc/40/24/99/343402499.db2.gz PTRIUSGMXRAROF-UHFFFAOYSA-N -1 3 239.227 0.391 20 0 BCADHM O=C(N[C@@H]1CCNC(=O)CC1)c1cccc([O-])c1 ZINC000396738826 349807767 /nfs/dbraw/zinc/80/77/67/349807767.db2.gz ADOYTFRBGJZEGU-JTQLQIEISA-N -1 3 248.282 0.791 20 0 BCADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000081108474 343416739 /nfs/dbraw/zinc/41/67/39/343416739.db2.gz FSHONXCSVOQVDE-MRVPVSSYSA-N -1 3 231.321 0.980 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)n2cc(CO)nn2)n1 ZINC000641144889 362238301 /nfs/dbraw/zinc/23/83/01/362238301.db2.gz BFYXGMNGMBCXLS-SSDOTTSWSA-N -1 3 235.247 0.184 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)n2cc(CO)nn2)n1 ZINC000641144890 362238431 /nfs/dbraw/zinc/23/84/31/362238431.db2.gz BFYXGMNGMBCXLS-ZETCQYMHSA-N -1 3 235.247 0.184 20 0 BCADHM CC(C)=CCNC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000276728079 187340061 /nfs/dbraw/zinc/34/00/61/187340061.db2.gz UVJYMRGXUNSDPH-UHFFFAOYSA-N -1 3 238.247 0.166 20 0 BCADHM CN1N=C(C(=O)Nc2ccccc2[O-])CCC1=O ZINC000048392193 136372765 /nfs/dbraw/zinc/37/27/65/136372765.db2.gz SVMOKMCJBQYWQF-UHFFFAOYSA-N -1 3 247.254 0.939 20 0 BCADHM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C ZINC000045109981 343523824 /nfs/dbraw/zinc/52/38/24/343523824.db2.gz DJLMGLDRNWTYBV-MRVPVSSYSA-N -1 3 223.276 0.467 20 0 BCADHM COC(=O)C1([N-]S(C)(=O)=O)CCCCCC1 ZINC000045806108 343534877 /nfs/dbraw/zinc/53/48/77/343534877.db2.gz IYUSIFZXPPLBJU-UHFFFAOYSA-N -1 3 249.332 0.802 20 0 BCADHM O=C([O-])c1cnccc1NCC1=CCCOC1 ZINC000379570257 343576627 /nfs/dbraw/zinc/57/66/27/343576627.db2.gz PLENMHFCRLZDSE-UHFFFAOYSA-N -1 3 234.255 0.960 20 0 BCADHM CN(CC1CN(C)C1)C(=O)c1cncc([O-])c1 ZINC000618190989 343560288 /nfs/dbraw/zinc/56/02/88/343560288.db2.gz OITVNOOZBNANTE-UHFFFAOYSA-N -1 3 235.287 0.421 20 0 BCADHM CCc1nc([N-]C(=O)c2csnn2)n[nH]1 ZINC000479098447 529744268 /nfs/dbraw/zinc/74/42/68/529744268.db2.gz APPDBSQBKIVCDV-UHFFFAOYSA-N -1 3 224.249 0.471 20 0 BCADHM CN(C)c1ccc(CNC(=O)c2c[n-]nn2)cn1 ZINC000048891643 343589286 /nfs/dbraw/zinc/58/92/86/343589286.db2.gz UVVGKBDRIPFAIA-UHFFFAOYSA-N -1 3 246.274 0.196 20 0 BCADHM CN(C)c1ccc(CNC(=O)c2cnn[n-]2)cn1 ZINC000048891643 343589291 /nfs/dbraw/zinc/58/92/91/343589291.db2.gz UVVGKBDRIPFAIA-UHFFFAOYSA-N -1 3 246.274 0.196 20 0 BCADHM CN(C)c1ccc(CNC(=O)c2cn[n-]n2)cn1 ZINC000048891643 343589294 /nfs/dbraw/zinc/58/92/94/343589294.db2.gz UVVGKBDRIPFAIA-UHFFFAOYSA-N -1 3 246.274 0.196 20 0 BCADHM O=C(NCCc1cn[nH]c1)c1c([O-])cccc1O ZINC000379976574 365771941 /nfs/dbraw/zinc/77/19/41/365771941.db2.gz OJSNKLRXUCTTDY-UHFFFAOYSA-N -1 3 247.254 0.793 20 0 BCADHM CCC[C@H](O)CN1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000634694992 343622631 /nfs/dbraw/zinc/62/26/31/343622631.db2.gz NXFMLPIHVGOKOQ-NHCYSSNCSA-N -1 3 245.319 0.711 20 0 BCADHM O=C(N[C@H]1CCOC1)c1cccc([O-])c1 ZINC000087787296 343661125 /nfs/dbraw/zinc/66/11/25/343661125.db2.gz YYRGTTVNTAVGKT-VIFPVBQESA-N -1 3 207.229 0.911 20 0 BCADHM O=C(N[C@@H]1CCNC(=O)CC1)c1ccccc1[O-] ZINC000396763470 349853785 /nfs/dbraw/zinc/85/37/85/349853785.db2.gz KQKKMXFNVARZCM-VIFPVBQESA-N -1 3 248.282 0.791 20 0 BCADHM COc1ccc(NC(=O)CC(N)=O)c([O-])c1 ZINC000442696850 537823887 /nfs/dbraw/zinc/82/38/87/537823887.db2.gz RZDODAAINLITAK-UHFFFAOYSA-N -1 3 224.216 0.215 20 0 BCADHM C[C@@]12COC[C@@H]1CN(C(=O)c1cc(=O)[n-]cn1)C2 ZINC000628097093 343937473 /nfs/dbraw/zinc/93/74/73/343937473.db2.gz LWWCXVDYIWWZSX-QPUJVOFHSA-N -1 3 249.270 0.291 20 0 BCADHM C[C@H](CNC(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000624593922 344043850 /nfs/dbraw/zinc/04/38/50/344043850.db2.gz ICYSWTBXAPFFGE-SSDOTTSWSA-N -1 3 221.260 0.958 20 0 BCADHM CN(C)CCNC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000082923548 362269457 /nfs/dbraw/zinc/26/94/57/362269457.db2.gz PYJRQCLPCZKTOS-JGVFFNPUSA-N -1 3 228.292 0.021 20 0 BCADHM Cc1ocnc1C(=O)[N-]c1ncnn1C(C)C ZINC000425611826 192068196 /nfs/dbraw/zinc/06/81/96/192068196.db2.gz SPMQJJJOJGNLPF-UHFFFAOYSA-N -1 3 235.247 0.830 20 0 BCADHM C[C@H]1CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000641244101 362320079 /nfs/dbraw/zinc/32/00/79/362320079.db2.gz SYDYXOAJSHMLNJ-ZETCQYMHSA-N -1 3 244.250 0.805 20 0 BCADHM CCS(=O)(=O)[N-]Cc1nc(C(C)C)no1 ZINC000130446139 344139640 /nfs/dbraw/zinc/13/96/40/344139640.db2.gz UHYPCJMWKWCJDW-UHFFFAOYSA-N -1 3 233.293 0.632 20 0 BCADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000131999143 344244479 /nfs/dbraw/zinc/24/44/79/344244479.db2.gz YQJKLDRMZYPYDV-RKDXNWHRSA-N -1 3 243.332 0.887 20 0 BCADHM CCC[C@H]([N-]S(=O)(=O)CC)C(=O)OC ZINC000091052182 344276646 /nfs/dbraw/zinc/27/66/46/344276646.db2.gz LDBZCIVCTBUUQO-ZETCQYMHSA-N -1 3 223.294 0.267 20 0 BCADHM CC=CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000384961659 344279666 /nfs/dbraw/zinc/27/96/66/344279666.db2.gz WTEVVQGYZGNVIW-NSCUHMNNSA-N -1 3 201.251 0.264 20 0 BCADHM CCN1CCC[C@@H]1CN(C)C(=O)CCC(=O)[O-] ZINC000092624651 344300002 /nfs/dbraw/zinc/30/00/02/344300002.db2.gz IXNJUFAPAAVOBH-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM CSC[C@H](C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000590379000 347052191 /nfs/dbraw/zinc/05/21/91/347052191.db2.gz ICWUMABJSWWLRX-YFKPBYRVSA-N -1 3 240.292 0.390 20 0 BCADHM Cc1nnc(CC(=O)Nc2ccccc2[O-])[nH]1 ZINC000622322529 344498038 /nfs/dbraw/zinc/49/80/38/344498038.db2.gz TVPXGUCUZVDIGA-UHFFFAOYSA-N -1 3 232.243 1.000 20 0 BCADHM CCN(CC(C)(C)O)C(=O)c1cc(=O)[n-]cn1 ZINC000625973201 344638332 /nfs/dbraw/zinc/63/83/32/344638332.db2.gz PLWNPLCQWGMSGR-UHFFFAOYSA-N -1 3 239.275 0.415 20 0 BCADHM O=C(NC[C@H]1CCCS1)c1cc(=O)[n-]cn1 ZINC000626063407 344708983 /nfs/dbraw/zinc/70/89/83/344708983.db2.gz CHHJKBJCHDXFMQ-SSDOTTSWSA-N -1 3 239.300 0.808 20 0 BCADHM c1cc(CSCCc2nnn[n-]2)n[nH]1 ZINC000603339774 349916593 /nfs/dbraw/zinc/91/65/93/349916593.db2.gz FBQDBVRRGUZLAW-UHFFFAOYSA-N -1 3 210.266 0.399 20 0 BCADHM c1cc(CSCCc2nn[n-]n2)n[nH]1 ZINC000603339774 349916596 /nfs/dbraw/zinc/91/65/96/349916596.db2.gz FBQDBVRRGUZLAW-UHFFFAOYSA-N -1 3 210.266 0.399 20 0 BCADHM Cc1noc([C@@H](C)SCCc2nnn[n-]2)n1 ZINC000603339958 349917704 /nfs/dbraw/zinc/91/77/04/349917704.db2.gz WCMPLPWUNXYKJO-RXMQYKEDSA-N -1 3 240.292 0.928 20 0 BCADHM Cc1noc([C@@H](C)SCCc2nn[n-]n2)n1 ZINC000603339958 349917706 /nfs/dbraw/zinc/91/77/06/349917706.db2.gz WCMPLPWUNXYKJO-RXMQYKEDSA-N -1 3 240.292 0.928 20 0 BCADHM Cc1noc([C@H](C)SCCc2nnn[n-]2)n1 ZINC000603339959 349917161 /nfs/dbraw/zinc/91/71/61/349917161.db2.gz WCMPLPWUNXYKJO-YFKPBYRVSA-N -1 3 240.292 0.928 20 0 BCADHM Cc1noc([C@H](C)SCCc2nn[n-]n2)n1 ZINC000603339959 349917163 /nfs/dbraw/zinc/91/71/63/349917163.db2.gz WCMPLPWUNXYKJO-YFKPBYRVSA-N -1 3 240.292 0.928 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H](CO)[C@@H](C)O)c1 ZINC000387549765 344788210 /nfs/dbraw/zinc/78/82/10/344788210.db2.gz SQZXIEURTVYACJ-PSASIEDQSA-N -1 3 239.271 0.172 20 0 BCADHM C[C@H]1OCC[C@@H]1CSCCc1nnn[n-]1 ZINC000603340817 349917621 /nfs/dbraw/zinc/91/76/21/349917621.db2.gz AEGQHDMACMEIGT-HTQZYQBOSA-N -1 3 228.321 0.900 20 0 BCADHM C[C@H]1OCC[C@@H]1CSCCc1nn[n-]n1 ZINC000603340817 349917622 /nfs/dbraw/zinc/91/76/22/349917622.db2.gz AEGQHDMACMEIGT-HTQZYQBOSA-N -1 3 228.321 0.900 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@H]2COC[C@H]2C1 ZINC000628138676 344795866 /nfs/dbraw/zinc/79/58/66/344795866.db2.gz MWGFCTLMHXHELN-DTWKUNHWSA-N -1 3 249.270 0.291 20 0 BCADHM CCC(=O)[C@@H](C)SCCc1nnn[n-]1 ZINC000603339993 349917781 /nfs/dbraw/zinc/91/77/81/349917781.db2.gz QUBWALXGODMRJS-ZCFIWIBFSA-N -1 3 214.294 0.843 20 0 BCADHM CCC(=O)[C@@H](C)SCCc1nn[n-]n1 ZINC000603339993 349917783 /nfs/dbraw/zinc/91/77/83/349917783.db2.gz QUBWALXGODMRJS-ZCFIWIBFSA-N -1 3 214.294 0.843 20 0 BCADHM COCCCC(=O)NN=c1cccn[n-]1 ZINC000077033974 344812951 /nfs/dbraw/zinc/81/29/51/344812951.db2.gz GNKRVODUHHIGBC-UHFFFAOYSA-N -1 3 210.237 0.346 20 0 BCADHM CC(C)OCCC(=O)NN=c1cccn[n-]1 ZINC000077029917 344813157 /nfs/dbraw/zinc/81/31/57/344813157.db2.gz NKXRQMMYRFSEMU-UHFFFAOYSA-N -1 3 224.264 0.735 20 0 BCADHM CCc1nc(CSCCc2nnn[n-]2)no1 ZINC000603341265 349918878 /nfs/dbraw/zinc/91/88/78/349918878.db2.gz XNKIGPMNHZWOET-UHFFFAOYSA-N -1 3 240.292 0.621 20 0 BCADHM CCc1nc(CSCCc2nn[n-]n2)no1 ZINC000603341265 349918881 /nfs/dbraw/zinc/91/88/81/349918881.db2.gz XNKIGPMNHZWOET-UHFFFAOYSA-N -1 3 240.292 0.621 20 0 BCADHM Clc1cnn(CSCCc2nnn[n-]2)c1 ZINC000603341184 349918974 /nfs/dbraw/zinc/91/89/74/349918974.db2.gz LPZZHKIKUZZREC-UHFFFAOYSA-N -1 3 244.711 0.983 20 0 BCADHM Clc1cnn(CSCCc2nn[n-]n2)c1 ZINC000603341184 349918978 /nfs/dbraw/zinc/91/89/78/349918978.db2.gz LPZZHKIKUZZREC-UHFFFAOYSA-N -1 3 244.711 0.983 20 0 BCADHM CSC[C@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000076301082 344800915 /nfs/dbraw/zinc/80/09/15/344800915.db2.gz OIZPQZRGROJBIH-ZETCQYMHSA-N -1 3 249.361 0.450 20 0 BCADHM C[C@@H]1CN(c2ccncc2C(=O)[O-])C[C@H]1CO ZINC000583383670 344861125 /nfs/dbraw/zinc/86/11/25/344861125.db2.gz OODONGAEDHZBGT-BDAKNGLRSA-N -1 3 236.271 0.844 20 0 BCADHM Cc1ccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c([O-])c1 ZINC000641566318 362506055 /nfs/dbraw/zinc/50/60/55/362506055.db2.gz CFUSQRHWVLNOGN-ZANVPECISA-N -1 3 233.267 0.907 20 0 BCADHM O=S(=O)([N-]CC1CSC1)c1ccco1 ZINC000641612121 362547386 /nfs/dbraw/zinc/54/73/86/362547386.db2.gz CNMOTKMUBYPRAS-UHFFFAOYSA-N -1 3 233.314 0.921 20 0 BCADHM c1c2c(nnc1SCCc1nnn[n-]1)CCC2 ZINC000641636892 362568935 /nfs/dbraw/zinc/56/89/35/362568935.db2.gz HYEAAEUMYYDNCI-UHFFFAOYSA-N -1 3 248.315 0.813 20 0 BCADHM c1c2c(nnc1SCCc1nn[n-]n1)CCC2 ZINC000641636892 362568939 /nfs/dbraw/zinc/56/89/39/362568939.db2.gz HYEAAEUMYYDNCI-UHFFFAOYSA-N -1 3 248.315 0.813 20 0 BCADHM O=S(=O)([N-]CCC(F)(F)F)c1c[nH]cn1 ZINC000069949009 133537941 /nfs/dbraw/zinc/53/79/41/133537941.db2.gz QVWRGDMDXDZKIO-UHFFFAOYSA-N -1 3 243.210 0.640 20 0 BCADHM c1cnc(SCCc2nnn[n-]2)cn1 ZINC000641638220 362566296 /nfs/dbraw/zinc/56/62/96/362566296.db2.gz WQOTUIJYPQMJCM-UHFFFAOYSA-N -1 3 208.250 0.325 20 0 BCADHM c1cnc(SCCc2nn[n-]n2)cn1 ZINC000641638220 362566299 /nfs/dbraw/zinc/56/62/99/362566299.db2.gz WQOTUIJYPQMJCM-UHFFFAOYSA-N -1 3 208.250 0.325 20 0 BCADHM O=C(NC1(C2CC2)CC1)c1cc(=O)[n-]cn1 ZINC000626110337 345258885 /nfs/dbraw/zinc/25/88/85/345258885.db2.gz YSBWECRCSIHXQV-UHFFFAOYSA-N -1 3 219.244 0.855 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2C[C@@H](O)C2)[n-]1 ZINC000635454767 345379567 /nfs/dbraw/zinc/37/95/67/345379567.db2.gz IJSBWOVPLHLBCY-SYDPRGILSA-N -1 3 228.277 0.236 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2C[C@@H](O)C2)n1 ZINC000635454767 345379570 /nfs/dbraw/zinc/37/95/70/345379570.db2.gz IJSBWOVPLHLBCY-SYDPRGILSA-N -1 3 228.277 0.236 20 0 BCADHM CSc1nc(NC(=O)[C@H]2C[C@@H](O)C2)n[n-]1 ZINC000635454767 345379573 /nfs/dbraw/zinc/37/95/73/345379573.db2.gz IJSBWOVPLHLBCY-SYDPRGILSA-N -1 3 228.277 0.236 20 0 BCADHM CC(C)(O)CCSCCc1nnn[n-]1 ZINC000603337885 349928269 /nfs/dbraw/zinc/92/82/69/349928269.db2.gz FDWIZMZSYVHQCN-UHFFFAOYSA-N -1 3 216.310 0.636 20 0 BCADHM CC(C)(O)CCSCCc1nn[n-]n1 ZINC000603337885 349928272 /nfs/dbraw/zinc/92/82/72/349928272.db2.gz FDWIZMZSYVHQCN-UHFFFAOYSA-N -1 3 216.310 0.636 20 0 BCADHM O=C(CSCCc1nnn[n-]1)[C@@H]1CCOC1 ZINC000603337947 349928459 /nfs/dbraw/zinc/92/84/59/349928459.db2.gz HRPOUFVKFKMFKA-SSDOTTSWSA-N -1 3 242.304 0.081 20 0 BCADHM O=C(CSCCc1nn[n-]n1)[C@@H]1CCOC1 ZINC000603337947 349928460 /nfs/dbraw/zinc/92/84/60/349928460.db2.gz HRPOUFVKFKMFKA-SSDOTTSWSA-N -1 3 242.304 0.081 20 0 BCADHM CCOCCCSCCc1nnn[n-]1 ZINC000603337115 349928033 /nfs/dbraw/zinc/92/80/33/349928033.db2.gz AGFJOUOUKOGQJF-UHFFFAOYSA-N -1 3 216.310 0.902 20 0 BCADHM CCOCCCSCCc1nn[n-]n1 ZINC000603337115 349928040 /nfs/dbraw/zinc/92/80/40/349928040.db2.gz AGFJOUOUKOGQJF-UHFFFAOYSA-N -1 3 216.310 0.902 20 0 BCADHM CNC(=O)[C@@H](C)NCc1cc([O-])cc(F)c1 ZINC000159596280 345445136 /nfs/dbraw/zinc/44/51/36/345445136.db2.gz SMVOQRKTSNMHBT-SSDOTTSWSA-N -1 3 226.251 0.755 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CCC2CC2)c1 ZINC000080764583 345449994 /nfs/dbraw/zinc/44/99/94/345449994.db2.gz VNHKGJSQQOTAAR-UHFFFAOYSA-N -1 3 243.332 0.981 20 0 BCADHM c1cn(CCSCCc2nnn[n-]2)cn1 ZINC000603339625 349930381 /nfs/dbraw/zinc/93/03/81/349930381.db2.gz QGTAEFIUKFYWDL-UHFFFAOYSA-N -1 3 224.293 0.372 20 0 BCADHM c1cn(CCSCCc2nn[n-]n2)cn1 ZINC000603339625 349930382 /nfs/dbraw/zinc/93/03/82/349930382.db2.gz QGTAEFIUKFYWDL-UHFFFAOYSA-N -1 3 224.293 0.372 20 0 BCADHM CC(C)(N=c1ncnc2[nH][n-]cc1-2)c1ncc[nH]1 ZINC000641663163 362586193 /nfs/dbraw/zinc/58/61/93/362586193.db2.gz PAWGBDRPISGLHE-UHFFFAOYSA-N -1 3 243.274 0.797 20 0 BCADHM CO[C@@H](CSCCc1nnn[n-]1)C1CC1 ZINC000603339174 349928878 /nfs/dbraw/zinc/92/88/78/349928878.db2.gz BXYDLKSPFQTYOD-QMMMGPOBSA-N -1 3 228.321 0.900 20 0 BCADHM CO[C@@H](CSCCc1nn[n-]n1)C1CC1 ZINC000603339174 349928883 /nfs/dbraw/zinc/92/88/83/349928883.db2.gz BXYDLKSPFQTYOD-QMMMGPOBSA-N -1 3 228.321 0.900 20 0 BCADHM CC[C@H](C)[C@@H](O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000626120349 345509118 /nfs/dbraw/zinc/50/91/18/345509118.db2.gz AEERYOBVIDDJFK-CBAPKCEASA-N -1 3 239.275 0.319 20 0 BCADHM CC(C)CN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC000091538474 345597247 /nfs/dbraw/zinc/59/72/47/345597247.db2.gz FPSUNWALUGUMBE-UHFFFAOYSA-N -1 3 210.281 0.718 20 0 BCADHM CC(F)(F)CN=c1ncnc2[nH][n-]cc1-2 ZINC000378848332 345669152 /nfs/dbraw/zinc/66/91/52/345669152.db2.gz BRYIRNXSODNMLZ-UHFFFAOYSA-N -1 3 213.191 0.794 20 0 BCADHM c1cnn(-c2cc(-c3nnn[n-]3)ccn2)c1 ZINC000095252144 345685011 /nfs/dbraw/zinc/68/50/11/345685011.db2.gz QGIDZVRSPNMRRC-UHFFFAOYSA-N -1 3 213.204 0.447 20 0 BCADHM c1cnn(-c2cc(-c3nn[n-]n3)ccn2)c1 ZINC000095252144 345685012 /nfs/dbraw/zinc/68/50/12/345685012.db2.gz QGIDZVRSPNMRRC-UHFFFAOYSA-N -1 3 213.204 0.447 20 0 BCADHM C[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1cncc([O-])c1 ZINC000492050624 259385739 /nfs/dbraw/zinc/38/57/39/259385739.db2.gz VFJJLFJMGJCGFF-UTFRODGCSA-N -1 3 248.282 0.782 20 0 BCADHM C[C@@H]1OCCN(C(=O)c2cc(=O)[n-]cn2)[C@H]1C ZINC000626151844 345779199 /nfs/dbraw/zinc/77/91/99/345779199.db2.gz WPUXLZMVBAQUAB-YUMQZZPRSA-N -1 3 237.259 0.432 20 0 BCADHM C[C@@]1(CNC(=O)c2cccc([O-])c2)CCC(=O)N1 ZINC000622678674 345797272 /nfs/dbraw/zinc/79/72/72/345797272.db2.gz AANJRCBTXIMVMW-ZDUSSCGKSA-N -1 3 248.282 0.791 20 0 BCADHM CN(C)C[C@@H](CO)NC(=O)c1ccccc1[O-] ZINC000673522090 488293772 /nfs/dbraw/zinc/29/37/72/488293772.db2.gz HWOUSCABYLAGCC-VIFPVBQESA-N -1 3 238.287 0.045 20 0 BCADHM CC(C)(CO)NC(=O)c1cc(F)c[n-]c1=O ZINC000635739675 346041085 /nfs/dbraw/zinc/04/10/85/346041085.db2.gz SBGHMGHIFQKWMB-UHFFFAOYSA-N -1 3 228.223 0.427 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)N(C)C)n1 ZINC000635870196 346092306 /nfs/dbraw/zinc/09/23/06/346092306.db2.gz XNVMTQJWRIOIEN-MRVPVSSYSA-N -1 3 223.276 0.984 20 0 BCADHM Cc1cccc(C(=O)N2CCNC(=O)C2)c1[O-] ZINC000019837726 179009717 /nfs/dbraw/zinc/00/97/17/179009717.db2.gz AEWHTPFZPHGYCZ-UHFFFAOYSA-N -1 3 234.255 0.273 20 0 BCADHM Cc1cccc(C(=O)N2CCN(C)C(=O)C2)c1[O-] ZINC000084204567 179010599 /nfs/dbraw/zinc/01/05/99/179010599.db2.gz AUMXSBWUXPCCNW-UHFFFAOYSA-N -1 3 248.282 0.615 20 0 BCADHM Cc1cccc(C(=O)NC(C)(C)C(N)=O)c1[O-] ZINC000045110002 179013989 /nfs/dbraw/zinc/01/39/89/179013989.db2.gz YCVNICDZGVCUFH-UHFFFAOYSA-N -1 3 236.271 0.694 20 0 BCADHM Cc1cccc(C(=O)N[C@@H]2CC(=O)N(C)C2)c1[O-] ZINC000334209506 179021782 /nfs/dbraw/zinc/02/17/82/179021782.db2.gz MYIBIFWCSNNPLT-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cn[nH]c1)C2 ZINC000636283103 346376579 /nfs/dbraw/zinc/37/65/79/346376579.db2.gz AIKRBYKYNXDJHG-UHFFFAOYSA-N -1 3 245.242 0.370 20 0 BCADHM COC1(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)CC1 ZINC000636294834 346382746 /nfs/dbraw/zinc/38/27/46/346382746.db2.gz ZIGZTJCYJNPHDD-UHFFFAOYSA-N -1 3 249.270 0.512 20 0 BCADHM CN(CC(=O)Nc1nnn[n-]1)C1CC(C)(C)C1 ZINC000574970407 346475851 /nfs/dbraw/zinc/47/58/51/346475851.db2.gz INAIZYPSJMANSB-UHFFFAOYSA-N -1 3 238.295 0.259 20 0 BCADHM CN(CC(=O)Nc1nn[n-]n1)C1CC(C)(C)C1 ZINC000574970407 346475854 /nfs/dbraw/zinc/47/58/54/346475854.db2.gz INAIZYPSJMANSB-UHFFFAOYSA-N -1 3 238.295 0.259 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)[C@H](C)OC)[n-]1 ZINC000617873649 346496816 /nfs/dbraw/zinc/49/68/16/346496816.db2.gz HEDRBWWDYWKFQB-LURJTMIESA-N -1 3 241.247 0.560 20 0 BCADHM CCOC(=O)c1nc(NC(=O)[C@H](C)OC)c[n-]1 ZINC000617873649 346496819 /nfs/dbraw/zinc/49/68/19/346496819.db2.gz HEDRBWWDYWKFQB-LURJTMIESA-N -1 3 241.247 0.560 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)CCO1 ZINC000182690138 347103131 /nfs/dbraw/zinc/10/31/31/347103131.db2.gz BXTUAQHXHVBXDF-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)CCO1 ZINC000182690138 347103132 /nfs/dbraw/zinc/10/31/32/347103132.db2.gz BXTUAQHXHVBXDF-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)CCO1 ZINC000182690138 347103133 /nfs/dbraw/zinc/10/31/33/347103133.db2.gz BXTUAQHXHVBXDF-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM Cn1cc(CNC(=O)Cc2cncc([O-])c2)cn1 ZINC000580215893 346698412 /nfs/dbraw/zinc/69/84/12/346698412.db2.gz HKLXVIZYUFBCHW-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM CC(=O)N1CC(NC(=O)c2ccccc2[O-])C1 ZINC000176632609 365850958 /nfs/dbraw/zinc/85/09/58/365850958.db2.gz FZWLLEFBHDHZIS-UHFFFAOYSA-N -1 3 234.255 0.353 20 0 BCADHM CCC[C@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000590064587 346769098 /nfs/dbraw/zinc/76/90/98/346769098.db2.gz FAFDIPJIRSDMFX-QMMMGPOBSA-N -1 3 231.321 0.887 20 0 BCADHM COCC(COC)NC(=O)c1cccc([O-])c1 ZINC000388439126 347405514 /nfs/dbraw/zinc/40/55/14/347405514.db2.gz FTNWJPCNQFMVKX-UHFFFAOYSA-N -1 3 239.271 0.783 20 0 BCADHM CCc1ccc(C(=O)N[C@H]2CCNC2=O)c([O-])c1 ZINC000616958886 347533250 /nfs/dbraw/zinc/53/32/50/347533250.db2.gz KMUFHMQYVWMZSA-JTQLQIEISA-N -1 3 248.282 0.573 20 0 BCADHM O=S(=O)(C[C@@H]1CCCO1)[N-]Cc1cocn1 ZINC000594040006 347994921 /nfs/dbraw/zinc/99/49/21/347994921.db2.gz KEZYEQOFLUYSMV-VIFPVBQESA-N -1 3 246.288 0.273 20 0 BCADHM O=C([O-])c1cnccc1N1CCS(=O)CC1 ZINC000088109819 362903871 /nfs/dbraw/zinc/90/38/71/362903871.db2.gz OCDPXYPCQVAHND-UHFFFAOYSA-N -1 3 240.284 0.349 20 0 BCADHM CC(C)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000082720508 348540996 /nfs/dbraw/zinc/54/09/96/348540996.db2.gz ZVFXHTFGFNMQJZ-UHFFFAOYSA-N -1 3 218.253 0.907 20 0 BCADHM CC[C@H](C(=O)Nc1ccncc1[O-])[C@H](C)O ZINC000419862879 192147244 /nfs/dbraw/zinc/14/72/44/192147244.db2.gz BYGPEACPAZUSMV-YUMQZZPRSA-N -1 3 224.260 0.555 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)CCCF ZINC000598848389 349048543 /nfs/dbraw/zinc/04/85/43/349048543.db2.gz VMSLQICPHBMFHS-UHFFFAOYSA-N -1 3 229.211 0.885 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)CCCF ZINC000598848389 349048549 /nfs/dbraw/zinc/04/85/49/349048549.db2.gz VMSLQICPHBMFHS-UHFFFAOYSA-N -1 3 229.211 0.885 20 0 BCADHM N=c1nc(N2CCCC[C@H]2CN)nc2[nH][n-]cc1-2 ZINC000420182108 192172056 /nfs/dbraw/zinc/17/20/56/192172056.db2.gz YVMUSXHUVPQAKJ-ZETCQYMHSA-N -1 3 247.306 0.035 20 0 BCADHM CS[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000599979855 349276883 /nfs/dbraw/zinc/27/68/83/349276883.db2.gz XCQUZWJDYDXBCQ-SSDOTTSWSA-N -1 3 239.300 0.760 20 0 BCADHM CS[C@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000599979856 349276898 /nfs/dbraw/zinc/27/68/98/349276898.db2.gz XCQUZWJDYDXBCQ-ZETCQYMHSA-N -1 3 239.300 0.760 20 0 BCADHM C[C@@H]1CCN[C@H](C(=O)N(C)CCCC(=O)[O-])C1 ZINC000161207798 349398550 /nfs/dbraw/zinc/39/85/50/349398550.db2.gz RNHWWMBOQMCBHZ-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CCOC(=O)Cn1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000601953652 349398570 /nfs/dbraw/zinc/39/85/70/349398570.db2.gz MRKJZMKRNCPVPI-OIBJUYFYSA-N -1 3 224.260 0.794 20 0 BCADHM C[C@@H](NC(=O)[C@H](N)CC1CCCCC1)C(=O)[O-] ZINC000302324813 350075409 /nfs/dbraw/zinc/07/54/09/350075409.db2.gz FIEAPYTZYWEVCC-PSASIEDQSA-N -1 3 242.319 0.873 20 0 BCADHM C[C@@H](NC(=O)[C@@H](N)CC1CCCCC1)C(=O)[O-] ZINC000302324814 350075517 /nfs/dbraw/zinc/07/55/17/350075517.db2.gz FIEAPYTZYWEVCC-SCZZXKLOSA-N -1 3 242.319 0.873 20 0 BCADHM Cc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)o1 ZINC000603888065 350049203 /nfs/dbraw/zinc/04/92/03/350049203.db2.gz XOBOOHPVDKECFO-SECBINFHSA-N -1 3 249.270 0.830 20 0 BCADHM CCOC(=O)Cc1cc(=O)n(CCN(C)C)[n-]1 ZINC000603921268 350053719 /nfs/dbraw/zinc/05/37/19/350053719.db2.gz OFZBTPQOUUHJGS-UHFFFAOYSA-N -1 3 241.291 0.090 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)cn1C ZINC000264163867 180029850 /nfs/dbraw/zinc/02/98/50/180029850.db2.gz YLMWHYFOFCOJKM-CBAPKCEASA-N -1 3 243.332 0.663 20 0 BCADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)C2CC2)cn1C ZINC000170731368 180028487 /nfs/dbraw/zinc/02/84/87/180028487.db2.gz AADUKLVRTIUIIN-ZETCQYMHSA-N -1 3 243.332 0.805 20 0 BCADHM C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)[O-])C[C@@H](C)C1 ZINC000428170140 191047774 /nfs/dbraw/zinc/04/77/74/191047774.db2.gz KAYUROLRLATYJR-IVZWLZJFSA-N -1 3 240.303 0.260 20 0 BCADHM COCCN(CCn1cc(C)cn1)CC(=O)[O-] ZINC000304437079 350156951 /nfs/dbraw/zinc/15/69/51/350156951.db2.gz UOYUNAQDWYYZDX-UHFFFAOYSA-N -1 3 241.291 0.225 20 0 BCADHM Cc1nc2c(cccc2C(=O)Nc2nnn[n-]2)[nH]1 ZINC000338570064 180099433 /nfs/dbraw/zinc/09/94/33/180099433.db2.gz CBVKRNYJZLABTA-UHFFFAOYSA-N -1 3 243.230 0.637 20 0 BCADHM COCCCS(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000427055450 191052868 /nfs/dbraw/zinc/05/28/68/191052868.db2.gz VMJLCUMIUZXRCD-UHFFFAOYSA-N -1 3 244.316 0.709 20 0 BCADHM Cc1ncc(NC(=O)c2nc[n-]n2)cn1 ZINC000358456398 180169716 /nfs/dbraw/zinc/16/97/16/180169716.db2.gz YLYYVCOMNBHEGB-UHFFFAOYSA-N -1 3 204.193 0.155 20 0 BCADHM Cc1nccn1CCNC(=O)c1ncccc1[O-] ZINC000263749316 180258665 /nfs/dbraw/zinc/25/86/65/180258665.db2.gz XFDLETOAJTZAQO-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM O=C(CC(=O)Nc1ncccc1[O-])NCC1CC1 ZINC000427709191 191089374 /nfs/dbraw/zinc/08/93/74/191089374.db2.gz HAKJGGDGERLVKF-UHFFFAOYSA-N -1 3 249.270 0.642 20 0 BCADHM Cc1ncsc1C[N-]S(=O)(=O)C1COC1 ZINC000330219557 180322608 /nfs/dbraw/zinc/32/26/08/180322608.db2.gz PONABWLIFWNWTJ-UHFFFAOYSA-N -1 3 248.329 0.270 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@@H](CO)C1 ZINC000051885414 191113600 /nfs/dbraw/zinc/11/36/00/191113600.db2.gz DGTURBXSIXTKKK-MRVPVSSYSA-N -1 3 246.270 0.412 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCOC2(CCC2)C1 ZINC000626317117 350960416 /nfs/dbraw/zinc/96/04/16/350960416.db2.gz IGQURAGNQYMIAN-UHFFFAOYSA-N -1 3 249.270 0.577 20 0 BCADHM O=C(N[C@@H]1CCCOCC1)c1cc(=O)[n-]cn1 ZINC000626372845 351008103 /nfs/dbraw/zinc/00/81/03/351008103.db2.gz VNVIVRBUOSVYHV-MRVPVSSYSA-N -1 3 237.259 0.481 20 0 BCADHM COc1nc(NC(=O)C2CC(OC)C2)n[n-]1 ZINC000626333255 350983431 /nfs/dbraw/zinc/98/34/31/350983431.db2.gz GMFCZWAMJLPJTH-UHFFFAOYSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nnc(NC(=O)C2CC(OC)C2)[n-]1 ZINC000626333255 350983435 /nfs/dbraw/zinc/98/34/35/350983435.db2.gz GMFCZWAMJLPJTH-UHFFFAOYSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)C2CC(OC)C2)n1 ZINC000626333255 350983436 /nfs/dbraw/zinc/98/34/36/350983436.db2.gz GMFCZWAMJLPJTH-UHFFFAOYSA-N -1 3 226.236 0.177 20 0 BCADHM CCO[C@@H](C(=O)Nc1n[n-]c(OC)n1)C1CC1 ZINC000626333353 350983461 /nfs/dbraw/zinc/98/34/61/350983461.db2.gz MLHGBJCNYULOQC-SSDOTTSWSA-N -1 3 240.263 0.567 20 0 BCADHM CCO[C@@H](C(=O)Nc1nnc(OC)[n-]1)C1CC1 ZINC000626333353 350983465 /nfs/dbraw/zinc/98/34/65/350983465.db2.gz MLHGBJCNYULOQC-SSDOTTSWSA-N -1 3 240.263 0.567 20 0 BCADHM CCO[C@@H](C(=O)Nc1nc(OC)n[n-]1)C1CC1 ZINC000626333353 350983468 /nfs/dbraw/zinc/98/34/68/350983468.db2.gz MLHGBJCNYULOQC-SSDOTTSWSA-N -1 3 240.263 0.567 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)CCO1 ZINC000626337862 350987644 /nfs/dbraw/zinc/98/76/44/350987644.db2.gz IKVAUEAACKQNQO-JGVFFNPUSA-N -1 3 237.259 0.480 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]C1CCCCC1 ZINC000631636697 351336267 /nfs/dbraw/zinc/33/62/67/351336267.db2.gz LRMWJYRFBFLYQF-UHFFFAOYSA-N -1 3 244.320 0.426 20 0 BCADHM CCC[C@H](C)N1CCO[C@H](C(=O)[O-])C1 ZINC000083415316 351274149 /nfs/dbraw/zinc/27/41/49/351274149.db2.gz LUUNUBQXJFCYSO-IUCAKERBSA-N -1 3 201.266 0.960 20 0 BCADHM CCN1CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000284036454 351384990 /nfs/dbraw/zinc/38/49/90/351384990.db2.gz PRXLZVXDMRHAPU-UHFFFAOYSA-N -1 3 249.314 0.955 20 0 BCADHM COCC[C@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000340079788 351882179 /nfs/dbraw/zinc/88/21/79/351882179.db2.gz GCXFCTOFKNNDAD-VIFPVBQESA-N -1 3 244.316 0.785 20 0 BCADHM O=S(=O)([N-]Cc1cccnc1)c1ccccn1 ZINC000340080903 351882939 /nfs/dbraw/zinc/88/29/39/351882939.db2.gz UWIXSDCCQBWXCH-UHFFFAOYSA-N -1 3 249.295 0.955 20 0 BCADHM O=C(NCCC1(O)CCC1)c1cc(=O)[n-]cn1 ZINC000626992716 363096117 /nfs/dbraw/zinc/09/61/17/363096117.db2.gz BLGZUKQRRRSPTK-UHFFFAOYSA-N -1 3 237.259 0.217 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000638197477 352059147 /nfs/dbraw/zinc/05/91/47/352059147.db2.gz KSQXWEHZLIKKJA-DTORHVGOSA-N -1 3 248.286 0.149 20 0 BCADHM C[C@H]1CC[C@H](C(=O)Nc2[n-]nnc2C(N)=O)C1 ZINC000410863781 191150721 /nfs/dbraw/zinc/15/07/21/191150721.db2.gz YYLZVYYMZLUWTL-WDSKDSINSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@H]1CC[C@H](C(=O)Nc2nn[n-]c2C(N)=O)C1 ZINC000410863781 191150723 /nfs/dbraw/zinc/15/07/23/191150723.db2.gz YYLZVYYMZLUWTL-WDSKDSINSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@H]1CC[C@H](C(=O)Nc2n[n-]nc2C(N)=O)C1 ZINC000410863781 191150725 /nfs/dbraw/zinc/15/07/25/191150725.db2.gz YYLZVYYMZLUWTL-WDSKDSINSA-N -1 3 237.263 0.278 20 0 BCADHM C/C(=C\C(C)(C)C)C(=O)[N-]OCC(N)=O ZINC000186054837 187655793 /nfs/dbraw/zinc/65/57/93/187655793.db2.gz PHWQZGZTWRJCGH-FNORWQNLSA-N -1 3 214.265 0.512 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C(N)=O)C1 ZINC000627906262 352621418 /nfs/dbraw/zinc/62/14/18/352621418.db2.gz OLDRGFFPEZCQLP-UHFFFAOYSA-N -1 3 248.282 0.648 20 0 BCADHM CC(C)(C)CCNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000042722459 352628289 /nfs/dbraw/zinc/62/82/89/352628289.db2.gz BHPUHCWOADNDKT-ZETCQYMHSA-N -1 3 241.291 0.137 20 0 BCADHM CC[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCO1 ZINC000336744416 352695733 /nfs/dbraw/zinc/69/57/33/352695733.db2.gz UXEZYPUGHMPKAZ-HTQZYQBOSA-N -1 3 226.280 0.558 20 0 BCADHM O=S(=O)([N-][C@H]1CC[C@@H](F)C1)c1c[nH]cn1 ZINC000334185410 352773803 /nfs/dbraw/zinc/77/38/03/352773803.db2.gz FAZYHZSGAOLHOW-RQJHMYQMSA-N -1 3 233.268 0.579 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@@H](O)Cc1ccccc1 ZINC000356756526 180796685 /nfs/dbraw/zinc/79/66/85/180796685.db2.gz JHYUUXMZYGPJGN-JTQLQIEISA-N -1 3 246.270 0.357 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C[C@@H](C)OC)c1 ZINC000224119163 188010129 /nfs/dbraw/zinc/01/01/29/188010129.db2.gz QVONDIOWJUKRQT-MRVPVSSYSA-N -1 3 247.320 0.216 20 0 BCADHM CC(C)Cn1ccnc1NC(=O)c1nnc[n-]1 ZINC000269399488 188024329 /nfs/dbraw/zinc/02/43/29/188024329.db2.gz BFMFERSQOZNSFT-UHFFFAOYSA-N -1 3 234.263 0.910 20 0 BCADHM CC(C)Cn1ccnc1NC(=O)c1nc[n-]n1 ZINC000269399488 188024331 /nfs/dbraw/zinc/02/43/31/188024331.db2.gz BFMFERSQOZNSFT-UHFFFAOYSA-N -1 3 234.263 0.910 20 0 BCADHM CC(=O)OC(C)(C)C(=O)[N-]C1=NCCS1 ZINC000275233146 188028188 /nfs/dbraw/zinc/02/81/88/188028188.db2.gz FBQCLKVIUHIWBQ-UHFFFAOYSA-N -1 3 230.289 0.547 20 0 BCADHM CC(C)(O)CC(=O)[N-]OCc1cccnc1 ZINC000281397142 188032591 /nfs/dbraw/zinc/03/25/91/188032591.db2.gz BXDUVEZPULBMFX-UHFFFAOYSA-N -1 3 224.260 0.790 20 0 BCADHM Cn1cccc(C(=O)Nc2ncccc2[O-])c1=O ZINC000354384372 188236089 /nfs/dbraw/zinc/23/60/89/188236089.db2.gz KESQLLVZKNBFRF-UHFFFAOYSA-N -1 3 245.238 0.738 20 0 BCADHM O=c1[n-]nc(CN2CC[C@](O)(C3CC3)C2)s1 ZINC000375318122 188250667 /nfs/dbraw/zinc/25/06/67/188250667.db2.gz DEUJXCVTDNPMKC-SNVBAGLBSA-N -1 3 241.316 0.591 20 0 BCADHM O=C([O-])[C@H]1Cc2ccccc2CN1CCO ZINC000061449288 188360270 /nfs/dbraw/zinc/36/02/70/188360270.db2.gz OSSFKZRKYHNPTE-LLVKDONJSA-N -1 3 221.256 0.490 20 0 BCADHM COC[C@H]([N-]c1nc(C2CC2)ns1)C(N)=O ZINC000092689264 353447600 /nfs/dbraw/zinc/44/76/00/353447600.db2.gz XACLWXSKRQNAPK-LURJTMIESA-N -1 3 242.304 0.328 20 0 BCADHM CC(C)=CCCNC(=O)CN1CC(=O)[N-]C1=O ZINC000276619346 188380393 /nfs/dbraw/zinc/38/03/93/188380393.db2.gz KXPOCNFAZDTGCI-UHFFFAOYSA-N -1 3 239.275 0.011 20 0 BCADHM CC(=O)[N-]OCc1ncnn1C(C)(C)C ZINC000282133231 188385042 /nfs/dbraw/zinc/38/50/42/188385042.db2.gz AAPHYMHPCDXZNI-UHFFFAOYSA-N -1 3 212.253 0.601 20 0 BCADHM CN(C)c1n[nH]c([N-]C(=O)C(=O)C(C)(C)C)n1 ZINC000285967205 188386563 /nfs/dbraw/zinc/38/65/63/188386563.db2.gz JVUVBKXMKKSBMK-UHFFFAOYSA-N -1 3 239.279 0.424 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1nccs1 ZINC000294884785 188393308 /nfs/dbraw/zinc/39/33/08/188393308.db2.gz LEECLCMYZZDBJV-UHFFFAOYSA-N -1 3 244.316 0.894 20 0 BCADHM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000351584098 133975320 /nfs/dbraw/zinc/97/53/20/133975320.db2.gz VXYSKZBAHMIPQW-SGJFDWMWSA-N -1 3 245.304 0.015 20 0 BCADHM Cc1cc(N(C)C[C@H](C)c2nnn[n-]2)ncn1 ZINC000095331733 353559886 /nfs/dbraw/zinc/55/98/86/353559886.db2.gz LFQNJDFFNRTIPC-ZETCQYMHSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1cc(N(C)C[C@H](C)c2nn[n-]n2)ncn1 ZINC000095331733 353559888 /nfs/dbraw/zinc/55/98/88/353559888.db2.gz LFQNJDFFNRTIPC-ZETCQYMHSA-N -1 3 233.279 0.538 20 0 BCADHM CCCN(C)CC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000261561524 535250081 /nfs/dbraw/zinc/25/00/81/535250081.db2.gz ARMIPLWKEVJNCL-SNVBAGLBSA-N -1 3 230.308 0.554 20 0 BCADHM CCCS(=O)(=O)NCc1cnc(C)[n-]c1=O ZINC000343992115 354063266 /nfs/dbraw/zinc/06/32/66/354063266.db2.gz RGEBMFDZVIIMRC-UHFFFAOYSA-N -1 3 245.304 0.320 20 0 BCADHM CO[C@@H](C)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344127875 354146733 /nfs/dbraw/zinc/14/67/33/354146733.db2.gz WZMKGFUFKIYIBD-IUCAKERBSA-N -1 3 240.307 0.725 20 0 BCADHM Cc1ncc(CNCc2cnc(C)[n-]c2=O)cn1 ZINC000344320510 354223297 /nfs/dbraw/zinc/22/32/97/354223297.db2.gz DKAIHBNFARYUSF-UHFFFAOYSA-N -1 3 245.286 0.879 20 0 BCADHM C[C@@]1(NCc2n[nH]c(=O)[n-]2)CCO[C@@H]1C1CC1 ZINC000344336620 354231815 /nfs/dbraw/zinc/23/18/15/354231815.db2.gz MUKMMLSXMSTPEC-MWLCHTKSSA-N -1 3 238.291 0.558 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H]2CCCN(C)C2=O)n1 ZINC000344603389 354324220 /nfs/dbraw/zinc/32/42/20/354324220.db2.gz PANCZYXPPTZGSL-SNVBAGLBSA-N -1 3 249.314 0.806 20 0 BCADHM Cc1nc(NC(=O)c2cnn[n-]2)cs1 ZINC000344681121 354332556 /nfs/dbraw/zinc/33/25/56/354332556.db2.gz RMDWCALOTXZLLJ-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1nc(NC(=O)c2c[n-]nn2)cs1 ZINC000344681121 354332560 /nfs/dbraw/zinc/33/25/60/354332560.db2.gz RMDWCALOTXZLLJ-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1nc(NC(=O)c2cn[n-]n2)cs1 ZINC000344681121 354332562 /nfs/dbraw/zinc/33/25/62/354332562.db2.gz RMDWCALOTXZLLJ-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM CC[C@H](C)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000334708054 354502713 /nfs/dbraw/zinc/50/27/13/354502713.db2.gz FRXZSCBSMHNWJF-IUCAKERBSA-N -1 3 225.292 0.269 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCC(=O)NC2)n1 ZINC000345940019 354814292 /nfs/dbraw/zinc/81/42/92/354814292.db2.gz ZEUGXPTUMIDTOK-MRVPVSSYSA-N -1 3 249.270 0.560 20 0 BCADHM COc1nnc(NC(=O)c2cnnc(C)c2)[n-]1 ZINC000346586498 355002390 /nfs/dbraw/zinc/00/23/90/355002390.db2.gz FYABNRZYMMEMIX-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM COc1nc(NC(=O)c2cnnc(C)c2)n[n-]1 ZINC000346586498 355002392 /nfs/dbraw/zinc/00/23/92/355002392.db2.gz FYABNRZYMMEMIX-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM COc1n[n-]c(NC(=O)c2cnnc(C)c2)n1 ZINC000346586498 355002395 /nfs/dbraw/zinc/00/23/95/355002395.db2.gz FYABNRZYMMEMIX-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H](C)C1 ZINC000335221487 355061977 /nfs/dbraw/zinc/06/19/77/355061977.db2.gz VKZSTEKKKCSUSR-VHSXEESVSA-N -1 3 238.335 0.976 20 0 BCADHM Cn1cnnc1[N-]C(=O)c1cncs1 ZINC000346764833 355112783 /nfs/dbraw/zinc/11/27/83/355112783.db2.gz GRJFQRSCWINLRA-UHFFFAOYSA-N -1 3 209.234 0.524 20 0 BCADHM COC(=O)c1cc(C(=O)Nc2nncn2C)c[n-]1 ZINC000346774256 355114248 /nfs/dbraw/zinc/11/42/48/355114248.db2.gz QAKZFHWFIGKVMW-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM CN(C)CCNc1ncncc1C(=O)[O-] ZINC000084476668 355375183 /nfs/dbraw/zinc/37/51/83/355375183.db2.gz FCYPSWYZIVKQKP-UHFFFAOYSA-N -1 3 210.237 0.148 20 0 BCADHM CO[C@@H](C)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000191218176 355349982 /nfs/dbraw/zinc/34/99/82/355349982.db2.gz ZQMHQZQYQXIOPE-LURJTMIESA-N -1 3 248.304 0.605 20 0 BCADHM Cn1cnnc1[N-]C(=O)COCc1cccnc1 ZINC000580348350 355354521 /nfs/dbraw/zinc/35/45/21/355354521.db2.gz KAVFAMBCRLRXGA-UHFFFAOYSA-N -1 3 247.258 0.365 20 0 BCADHM CC(C)Cc1noc(C[C@@H]2NC(=O)[N-]C2=O)n1 ZINC000349880386 366237768 /nfs/dbraw/zinc/23/77/68/366237768.db2.gz AVZFGOXIZAPXIL-LURJTMIESA-N -1 3 238.247 0.019 20 0 BCADHM O=c1[n-]c(=O)n(CCC2(O)CC2)cc1Cl ZINC000335832450 355559091 /nfs/dbraw/zinc/55/90/91/355559091.db2.gz WYJDGFICJFMPAW-UHFFFAOYSA-N -1 3 230.651 0.517 20 0 BCADHM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)CCS1 ZINC000335818522 355509377 /nfs/dbraw/zinc/50/93/77/355509377.db2.gz VOLXLUHPQLMLQN-MRVPVSSYSA-N -1 3 242.348 0.436 20 0 BCADHM Cc1noc(C[N-]S(=O)(=O)CCC(C)C)n1 ZINC000428063428 191797978 /nfs/dbraw/zinc/79/79/78/191797978.db2.gz XZQFEIGVZHGKPD-UHFFFAOYSA-N -1 3 247.320 0.844 20 0 BCADHM N=c1nc(NC2(CO)CCC2)nc2[nH][n-]cc1-2 ZINC000354568958 181212260 /nfs/dbraw/zinc/21/22/60/181212260.db2.gz GBXGUEWNDIAGIS-UHFFFAOYSA-N -1 3 234.263 0.044 20 0 BCADHM O=C(NCC(F)(F)CO)c1csc(=O)[n-]1 ZINC000350864492 355841196 /nfs/dbraw/zinc/84/11/96/355841196.db2.gz NGRSTINZMRFHKW-UHFFFAOYSA-N -1 3 238.215 0.206 20 0 BCADHM C/C=C/C[C@@H](CO)NC(=O)c1csc(=O)[n-]1 ZINC000351144315 355952930 /nfs/dbraw/zinc/95/29/30/355952930.db2.gz WYJZJMKUNQYGDG-AIYRYJHASA-N -1 3 242.300 0.906 20 0 BCADHM NC(=O)CCCC(=O)Nc1ncccc1[O-] ZINC000299325373 181221227 /nfs/dbraw/zinc/22/12/27/181221227.db2.gz AKWZXXBYJUYOFS-UHFFFAOYSA-N -1 3 223.232 0.381 20 0 BCADHM NC(=O)CN(CCCCC(=O)[O-])C1CCCC1 ZINC000042429933 181229455 /nfs/dbraw/zinc/22/94/55/181229455.db2.gz CCZCATAJIQVNMX-UHFFFAOYSA-N -1 3 242.319 0.971 20 0 BCADHM O=S(=O)(Cc1ccon1)[N-][C@H]1CCC[C@H]1F ZINC000335916315 356156268 /nfs/dbraw/zinc/15/62/68/356156268.db2.gz NJDVKVZRBJYYOK-BDAKNGLRSA-N -1 3 248.279 0.985 20 0 BCADHM O=C(NCc1ncccc1[O-])C1CSC1 ZINC000632805609 356174116 /nfs/dbraw/zinc/17/41/16/356174116.db2.gz LFDKIEPVWLXBGR-UHFFFAOYSA-N -1 3 224.285 0.766 20 0 BCADHM Cc1ccncc1CCNC(=O)c1c[n-]nn1 ZINC000617658162 356262451 /nfs/dbraw/zinc/26/24/51/356262451.db2.gz CHOWTWVTVWEXNL-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM Cc1ccncc1CCNC(=O)c1cnn[n-]1 ZINC000617658162 356262454 /nfs/dbraw/zinc/26/24/54/356262454.db2.gz CHOWTWVTVWEXNL-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM Cc1ccncc1CCNC(=O)c1cn[n-]n1 ZINC000617658162 356262456 /nfs/dbraw/zinc/26/24/56/356262456.db2.gz CHOWTWVTVWEXNL-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM COc1cc(C(=O)NC/C=C/CO)ccc1[O-] ZINC000617685062 356282737 /nfs/dbraw/zinc/28/27/37/356282737.db2.gz IIXXXQYLJSQLET-NSCUHMNNSA-N -1 3 237.255 0.679 20 0 BCADHM CC(C)C[C@@H](N)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000087513553 491089533 /nfs/dbraw/zinc/08/95/33/491089533.db2.gz ALUFVXRHMFTOKD-NXEZZACHSA-N -1 3 244.335 0.833 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)[C@H]2C[C@H]2C)n1 ZINC000609835536 356480846 /nfs/dbraw/zinc/48/08/46/356480846.db2.gz GIOMHMWZVSREMK-RITPCOANSA-N -1 3 238.247 0.115 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)[C@H]2C[C@H]2C)[n-]1 ZINC000609835536 356480849 /nfs/dbraw/zinc/48/08/49/356480849.db2.gz GIOMHMWZVSREMK-RITPCOANSA-N -1 3 238.247 0.115 20 0 BCADHM COC(=O)Cc1nc(NC(=O)[C@H]2C[C@H]2C)n[n-]1 ZINC000609835536 356480854 /nfs/dbraw/zinc/48/08/54/356480854.db2.gz GIOMHMWZVSREMK-RITPCOANSA-N -1 3 238.247 0.115 20 0 BCADHM NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000020295381 181282318 /nfs/dbraw/zinc/28/23/18/181282318.db2.gz JMUZTBRTQIFAJC-SECBINFHSA-N -1 3 234.255 0.482 20 0 BCADHM COC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000572528975 363488932 /nfs/dbraw/zinc/48/89/32/363488932.db2.gz DFAPVHYVULJWDQ-GZMMTYOYSA-N -1 3 227.260 0.346 20 0 BCADHM CO[C@@H](C)CN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000627208000 363505643 /nfs/dbraw/zinc/50/56/43/363505643.db2.gz FJLKTLRVHLPSGH-ZETCQYMHSA-N -1 3 225.248 0.289 20 0 BCADHM CC(C)[C@@H](NC(=O)c1c[n-]nn1)C1CC1 ZINC000323958696 356666279 /nfs/dbraw/zinc/66/62/79/356666279.db2.gz FOPQVKRZWIKIGR-SECBINFHSA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@@H](NC(=O)c1cnn[n-]1)C1CC1 ZINC000323958696 356666284 /nfs/dbraw/zinc/66/62/84/356666284.db2.gz FOPQVKRZWIKIGR-SECBINFHSA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@@H](NC(=O)c1cn[n-]n1)C1CC1 ZINC000323958696 356666288 /nfs/dbraw/zinc/66/62/88/356666288.db2.gz FOPQVKRZWIKIGR-SECBINFHSA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@H](NC(=O)c1c[n-]nn1)C1CC1 ZINC000323958698 356667067 /nfs/dbraw/zinc/66/70/67/356667067.db2.gz FOPQVKRZWIKIGR-VIFPVBQESA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@H](NC(=O)c1cnn[n-]1)C1CC1 ZINC000323958698 356667071 /nfs/dbraw/zinc/66/70/71/356667071.db2.gz FOPQVKRZWIKIGR-VIFPVBQESA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@H](NC(=O)c1cn[n-]n1)C1CC1 ZINC000323958698 356667075 /nfs/dbraw/zinc/66/70/75/356667075.db2.gz FOPQVKRZWIKIGR-VIFPVBQESA-N -1 3 208.265 0.969 20 0 BCADHM CC(=O)[C@H](C)Sc1n[n-]c(CO)n1 ZINC000379405039 356911967 /nfs/dbraw/zinc/91/19/67/356911967.db2.gz SJAAQPNHNPJVOM-YFKPBYRVSA-N -1 3 201.251 0.367 20 0 BCADHM C[C@@H](CCO)CCN=c1ncnc2[nH][n-]cc1-2 ZINC000450570773 202200783 /nfs/dbraw/zinc/20/07/83/202200783.db2.gz XTLJBMBIHUCYKH-MRVPVSSYSA-N -1 3 235.291 0.547 20 0 BCADHM CCCN1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000389568579 356992801 /nfs/dbraw/zinc/99/28/01/356992801.db2.gz AUIISRYLGOOSSC-MRVPVSSYSA-N -1 3 209.297 0.775 20 0 BCADHM C[C@@H](C[N-]S(=O)(=O)c1cscn1)N(C)C ZINC000582298136 357032534 /nfs/dbraw/zinc/03/25/34/357032534.db2.gz DHERBBABDBRWIT-ZETCQYMHSA-N -1 3 249.361 0.372 20 0 BCADHM Nc1ccc(S(=O)(=O)[N-]CCF)c(F)c1 ZINC000389380131 538815826 /nfs/dbraw/zinc/81/58/26/538815826.db2.gz CHNIKYGALGMENJ-UHFFFAOYSA-N -1 3 236.243 0.656 20 0 BCADHM CC[C@@H](C(=O)[O-])N1CCN(C(=O)N(C)C)CC1 ZINC000393626419 357290896 /nfs/dbraw/zinc/29/08/96/357290896.db2.gz PJPRQLPZLGDVLM-VIFPVBQESA-N -1 3 243.307 0.149 20 0 BCADHM CC[C@]1(C)C[C@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000582472675 357314077 /nfs/dbraw/zinc/31/40/77/357314077.db2.gz PVCKJZCXPXRYAN-XUOSJQGZSA-N -1 3 237.263 0.278 20 0 BCADHM CC[C@]1(C)C[C@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000582472675 357314079 /nfs/dbraw/zinc/31/40/79/357314079.db2.gz PVCKJZCXPXRYAN-XUOSJQGZSA-N -1 3 237.263 0.278 20 0 BCADHM CC[C@]1(C)C[C@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000582472675 357314084 /nfs/dbraw/zinc/31/40/84/357314084.db2.gz PVCKJZCXPXRYAN-XUOSJQGZSA-N -1 3 237.263 0.278 20 0 BCADHM CN(Cc1ncccc1[O-])[C@@H]1CCN(C)C1=O ZINC000582513936 357323464 /nfs/dbraw/zinc/32/34/64/357323464.db2.gz SUCXWTBKDFLXGF-SNVBAGLBSA-N -1 3 235.287 0.450 20 0 BCADHM CN(Cc1ncccc1[O-])[C@H]1CCN(C)C1=O ZINC000582513932 357323870 /nfs/dbraw/zinc/32/38/70/357323870.db2.gz SUCXWTBKDFLXGF-JTQLQIEISA-N -1 3 235.287 0.450 20 0 BCADHM N[C@H](C(=O)NCc1ncccc1[O-])C1CCC1 ZINC000582962017 357439390 /nfs/dbraw/zinc/43/93/90/357439390.db2.gz ANWVEKFVHSAEIR-NSHDSACASA-N -1 3 235.287 0.531 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CCCF)n1 ZINC000583022665 357451634 /nfs/dbraw/zinc/45/16/34/357451634.db2.gz WNNFBMYEKSIMEN-UHFFFAOYSA-N -1 3 221.257 0.058 20 0 BCADHM C[C@H]1C(=O)NCCCN1C(=O)c1ccccc1[O-] ZINC000188944905 357605854 /nfs/dbraw/zinc/60/58/54/357605854.db2.gz ZHZMJAOEENOROQ-VIFPVBQESA-N -1 3 248.282 0.743 20 0 BCADHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000231686232 357620782 /nfs/dbraw/zinc/62/07/82/357620782.db2.gz HXCFBTMNWGDUIP-SFYZADRCSA-N -1 3 245.304 0.256 20 0 BCADHM COc1nnc(NC(=O)C2(SC)CC2)[n-]1 ZINC000190959811 357734202 /nfs/dbraw/zinc/73/42/02/357734202.db2.gz CFPBSQGBBHAAIG-UHFFFAOYSA-N -1 3 228.277 0.647 20 0 BCADHM COc1nc(NC(=O)C2(SC)CC2)n[n-]1 ZINC000190959811 357734204 /nfs/dbraw/zinc/73/42/04/357734204.db2.gz CFPBSQGBBHAAIG-UHFFFAOYSA-N -1 3 228.277 0.647 20 0 BCADHM COc1n[n-]c(NC(=O)C2(SC)CC2)n1 ZINC000190959811 357734205 /nfs/dbraw/zinc/73/42/05/357734205.db2.gz CFPBSQGBBHAAIG-UHFFFAOYSA-N -1 3 228.277 0.647 20 0 BCADHM CN(CC(N)=O)C(=O)c1cc([O-])ccc1Cl ZINC000234252684 357788315 /nfs/dbraw/zinc/78/83/15/357788315.db2.gz WRAZUAACMDJYFP-UHFFFAOYSA-N -1 3 242.662 0.603 20 0 BCADHM CC(C)N(CC(=O)[O-])C(=O)[C@@H](N)C1CCC1 ZINC000399024025 357893798 /nfs/dbraw/zinc/89/37/98/357893798.db2.gz IMSAKRYSJGGWGN-JTQLQIEISA-N -1 3 228.292 0.435 20 0 BCADHM CCCC[C@H](NC(=O)[C@@H](N)C1CCC1)C(=O)[O-] ZINC000399126886 357896599 /nfs/dbraw/zinc/89/65/99/357896599.db2.gz LADVMCAAKLEJPA-UWVGGRQHSA-N -1 3 242.319 0.873 20 0 BCADHM C[C@@H]1C[N@@H+](Cc2ncccc2[O-])CC[C@@H]1O ZINC000564302996 325281669 /nfs/dbraw/zinc/28/16/69/325281669.db2.gz YGWSLTDHGPKDBL-KOLCDFICSA-N -1 3 222.288 0.990 20 0 BCADHM C[C@@H]1CN(Cc2ncccc2[O-])CC[C@@H]1O ZINC000564302996 325281672 /nfs/dbraw/zinc/28/16/72/325281672.db2.gz YGWSLTDHGPKDBL-KOLCDFICSA-N -1 3 222.288 0.990 20 0 BCADHM CC1(C)C[C@@H](NC(=O)c2c[n-]nn2)CCO1 ZINC000169019167 358008954 /nfs/dbraw/zinc/00/89/54/358008954.db2.gz GHLIXXZOXQASRF-ZETCQYMHSA-N -1 3 224.264 0.492 20 0 BCADHM CC1(C)C[C@@H](NC(=O)c2cnn[n-]2)CCO1 ZINC000169019167 358008956 /nfs/dbraw/zinc/00/89/56/358008956.db2.gz GHLIXXZOXQASRF-ZETCQYMHSA-N -1 3 224.264 0.492 20 0 BCADHM CC1(C)C[C@@H](NC(=O)c2cn[n-]n2)CCO1 ZINC000169019167 358008959 /nfs/dbraw/zinc/00/89/59/358008959.db2.gz GHLIXXZOXQASRF-ZETCQYMHSA-N -1 3 224.264 0.492 20 0 BCADHM O=c1cc(-c2noc([C@H]3CCOC3)n2)nc[n-]1 ZINC000351367174 358189081 /nfs/dbraw/zinc/18/90/81/358189081.db2.gz HYNAYEJDFONYTL-LURJTMIESA-N -1 3 234.215 0.736 20 0 BCADHM C=CCCC(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225913253 358332315 /nfs/dbraw/zinc/33/23/15/358332315.db2.gz OPZDAFRAINMLDC-UHFFFAOYSA-N -1 3 228.292 0.427 20 0 BCADHM C[C@@H](CO)[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000180176687 366388928 /nfs/dbraw/zinc/38/89/28/366388928.db2.gz NFEPEOAFQQOZJH-JGVFFNPUSA-N -1 3 248.286 0.705 20 0 BCADHM C[C@@H](CO)[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000180176687 366388934 /nfs/dbraw/zinc/38/89/34/366388934.db2.gz NFEPEOAFQQOZJH-JGVFFNPUSA-N -1 3 248.286 0.705 20 0 BCADHM C[C@@H](CO)[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000180176687 366388938 /nfs/dbraw/zinc/38/89/38/366388938.db2.gz NFEPEOAFQQOZJH-JGVFFNPUSA-N -1 3 248.286 0.705 20 0 BCADHM CC[C@H]1CN([C@@H](C(=O)[O-])C2CC2)CCO1 ZINC000226497282 358340043 /nfs/dbraw/zinc/34/00/43/358340043.db2.gz IHBGSAISUXDKDV-VHSXEESVSA-N -1 3 213.277 0.960 20 0 BCADHM CC(C)CNC(=O)[C@H](C)N(C)CCCC(=O)[O-] ZINC000042717526 358529653 /nfs/dbraw/zinc/52/96/53/358529653.db2.gz MMCQLRMSAFLJAC-JTQLQIEISA-N -1 3 244.335 0.944 20 0 BCADHM COC[C@@H](C)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000049180865 358675038 /nfs/dbraw/zinc/67/50/38/358675038.db2.gz PFGBFNHDIBYKPA-QMMMGPOBSA-N -1 3 248.286 0.970 20 0 BCADHM C[C@@H]1C[C@@H]1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000132657086 358731825 /nfs/dbraw/zinc/73/18/25/358731825.db2.gz WHKPDVXKQZHCSA-MUWHJKNJSA-N -1 3 246.270 0.812 20 0 BCADHM O=c1cc(-c2noc(C[C@H]3CCOC3)n2)nc[n-]1 ZINC000351362198 366515657 /nfs/dbraw/zinc/51/56/57/366515657.db2.gz APWNGLGQWPNPRN-SSDOTTSWSA-N -1 3 248.242 0.811 20 0 BCADHM CC[C@@H](O)Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351370733 366518025 /nfs/dbraw/zinc/51/80/25/366518025.db2.gz MZLBYIFPNMCEBL-ZCFIWIBFSA-N -1 3 236.231 0.546 20 0 BCADHM O=c1cc(-c2noc(CC3(O)CCC3)n2)nc[n-]1 ZINC000351375146 366519622 /nfs/dbraw/zinc/51/96/22/366519622.db2.gz RQJLZRSKPYRJPA-UHFFFAOYSA-N -1 3 248.242 0.690 20 0 BCADHM C[C@@H]1COCC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000626668416 359024135 /nfs/dbraw/zinc/02/41/35/359024135.db2.gz LAEDIOGVWNAZMZ-SFYZADRCSA-N -1 3 237.259 0.337 20 0 BCADHM O=C(NCc1ncc[nH]1)c1ccc2n[n-]nc2c1 ZINC000070991491 359070227 /nfs/dbraw/zinc/07/02/27/359070227.db2.gz NOZDGWVSMDLLHB-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM [O-]c1cccnc1CNCc1cn[nH]c1 ZINC000308950262 491140883 /nfs/dbraw/zinc/14/08/83/491140883.db2.gz UQALUCJBMZYIMW-UHFFFAOYSA-N -1 3 204.233 0.800 20 0 BCADHM COC1CC(C(=O)NCc2ncccc2[O-])C1 ZINC000626738071 359595498 /nfs/dbraw/zinc/59/54/98/359595498.db2.gz HRRGDPMFXOMOOP-UHFFFAOYSA-N -1 3 236.271 0.828 20 0 BCADHM O=C(NCCN1CC=CCC1)c1cc(=O)[n-]cn1 ZINC000626757887 359609307 /nfs/dbraw/zinc/60/93/07/359609307.db2.gz GMGSKTLLGTVIOS-UHFFFAOYSA-N -1 3 248.286 0.174 20 0 BCADHM COC[C@H](CO)NC(=O)c1c(C)cccc1[O-] ZINC000626776462 359650490 /nfs/dbraw/zinc/65/04/90/359650490.db2.gz SLXKKKGFCGAOTE-VIFPVBQESA-N -1 3 239.271 0.438 20 0 BCADHM CO[C@@H](C)CN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450917599 202307695 /nfs/dbraw/zinc/30/76/95/202307695.db2.gz DTRFZWNUWAQUKL-QMMMGPOBSA-N -1 3 241.291 0.990 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)C[C@@H]2CCOC2)CC1 ZINC000632448518 359766145 /nfs/dbraw/zinc/76/61/45/359766145.db2.gz ROPBSVWAVNALSG-SECBINFHSA-N -1 3 247.316 0.064 20 0 BCADHM Cn1ccc(CC(=O)Nc2ncccc2[O-])n1 ZINC000180775452 366547569 /nfs/dbraw/zinc/54/75/69/366547569.db2.gz BXLHAUGFVAQSGU-UHFFFAOYSA-N -1 3 232.243 0.702 20 0 BCADHM CC[N-]S(=O)(=O)c1cnccc1OCC ZINC000450965340 202321985 /nfs/dbraw/zinc/32/19/85/202321985.db2.gz HIKVSYLVQZZYGO-UHFFFAOYSA-N -1 3 230.289 0.779 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)C1COC1)c1cscn1 ZINC000578550203 366597103 /nfs/dbraw/zinc/59/71/03/366597103.db2.gz ALYKOZAPUBVLCP-ZCFIWIBFSA-N -1 3 248.329 0.522 20 0 BCADHM COc1cc(C(=O)N[C@H]2C[C@@H](O)C2)ccc1[O-] ZINC000612638465 359961282 /nfs/dbraw/zinc/96/12/82/359961282.db2.gz RGPJJTKBOVHWRA-DTORHVGOSA-N -1 3 237.255 0.654 20 0 BCADHM O=C(NCc1ccc([O-])c(F)c1)[C@H](O)C1CC1 ZINC000612632392 359967318 /nfs/dbraw/zinc/96/73/18/359967318.db2.gz PNKULMLXJOZCPJ-LLVKDONJSA-N -1 3 239.246 0.918 20 0 BCADHM CCn1ncnc1CNc1ccncc1C(=O)[O-] ZINC000578872480 366663153 /nfs/dbraw/zinc/66/31/53/366663153.db2.gz XKQJOUNNTGTJSH-UHFFFAOYSA-N -1 3 247.258 0.425 20 0 BCADHM CO[C@@H]1CC[C@H](C(=O)Nc2ccncc2[O-])C1 ZINC000613087136 360348555 /nfs/dbraw/zinc/34/85/55/360348555.db2.gz UOKRHBWXCLMJKQ-DTWKUNHWSA-N -1 3 236.271 0.963 20 0 BCADHM CO[C@H]1CC[C@@H](C(=O)Nc2ccncc2[O-])C1 ZINC000613087135 360348667 /nfs/dbraw/zinc/34/86/67/360348667.db2.gz UOKRHBWXCLMJKQ-BDAKNGLRSA-N -1 3 236.271 0.963 20 0 BCADHM Cc1ccc([O-])c(NC(=O)Cc2cnnn2C)n1 ZINC000614164750 363727543 /nfs/dbraw/zinc/72/75/43/363727543.db2.gz RCGABBJUACPKCQ-UHFFFAOYSA-N -1 3 247.258 0.405 20 0 BCADHM O=C(NC1(C(F)F)CC1)c1cc(=O)[n-]cn1 ZINC000626921296 360505324 /nfs/dbraw/zinc/50/53/24/360505324.db2.gz KFPQTLZCHGLQHQ-UHFFFAOYSA-N -1 3 229.186 0.710 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N(C1CC1)C1CC1 ZINC000628813348 360675125 /nfs/dbraw/zinc/67/51/25/360675125.db2.gz INQCVBAZFLKXGR-UHFFFAOYSA-N -1 3 219.244 0.949 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2COCCC2=O)ccc1[O-] ZINC000628884681 360723660 /nfs/dbraw/zinc/72/36/60/360723660.db2.gz HBTJSFOQVWYHDW-SNVBAGLBSA-N -1 3 249.266 0.788 20 0 BCADHM CCC(F)(F)CNC(=O)c1c[n-]nn1 ZINC000628844879 360700626 /nfs/dbraw/zinc/70/06/26/360700626.db2.gz KGGWNLXBCBFMSD-UHFFFAOYSA-N -1 3 204.180 0.580 20 0 BCADHM CCC(F)(F)CNC(=O)c1cnn[n-]1 ZINC000628844879 360700628 /nfs/dbraw/zinc/70/06/28/360700628.db2.gz KGGWNLXBCBFMSD-UHFFFAOYSA-N -1 3 204.180 0.580 20 0 BCADHM CCC(F)(F)CNC(=O)c1cn[n-]n1 ZINC000628844879 360700630 /nfs/dbraw/zinc/70/06/30/360700630.db2.gz KGGWNLXBCBFMSD-UHFFFAOYSA-N -1 3 204.180 0.580 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)[C@@H](C)O1 ZINC000634033704 360779334 /nfs/dbraw/zinc/77/93/34/360779334.db2.gz OHGKKCSNXQLVFM-PRJMDXOYSA-N -1 3 237.259 0.478 20 0 BCADHM O=C(NC[C@H]1C[C@@H](O)C1)c1ccc(O)cc1[O-] ZINC000629073076 360861038 /nfs/dbraw/zinc/86/10/38/360861038.db2.gz ORAGLOQOWKEWNE-OTSSQURYSA-N -1 3 237.255 0.599 20 0 BCADHM O=C(N[C@@H]1CCOC[C@H]1O)c1ccccc1[O-] ZINC000629227724 360959039 /nfs/dbraw/zinc/95/90/39/360959039.db2.gz YREMQLXJFGVTFW-MWLCHTKSSA-N -1 3 237.255 0.272 20 0 BCADHM C[C@@H]1C[C@H]1CN1CCOC[C@H]1CC(=O)[O-] ZINC000629360368 361008169 /nfs/dbraw/zinc/00/81/69/361008169.db2.gz PAABSWCYQNEGLZ-KXUCPTDWSA-N -1 3 213.277 0.818 20 0 BCADHM CO[C@@H](C)CN1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629364493 361008705 /nfs/dbraw/zinc/00/87/05/361008705.db2.gz ZKFDLPXOKCVRIN-JTQLQIEISA-N -1 3 244.335 0.502 20 0 BCADHM CC(C)(C(=O)[O-])N1CCN(CCCCO)CC1 ZINC000629361844 361010841 /nfs/dbraw/zinc/01/08/41/361010841.db2.gz HUMCBQGPRIOUAX-UHFFFAOYSA-N -1 3 244.335 0.240 20 0 BCADHM CC(C)(C(=O)[O-])N1CCN(CC(F)F)CC1 ZINC000629362825 361012957 /nfs/dbraw/zinc/01/29/57/361012957.db2.gz DIFHPMKVYMCPDJ-UHFFFAOYSA-N -1 3 236.262 0.732 20 0 BCADHM C[C@H](CO)CN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000629366580 361021455 /nfs/dbraw/zinc/02/14/55/361021455.db2.gz VNNRQLIWFCUCQK-GZMMTYOYSA-N -1 3 239.271 0.892 20 0 BCADHM COC[C@@]1(C)CN([C@H](C(=O)[O-])C2CC2)CCO1 ZINC000629379391 361027705 /nfs/dbraw/zinc/02/77/05/361027705.db2.gz OPDSLYHINONPGV-CMPLNLGQSA-N -1 3 243.303 0.587 20 0 BCADHM O=C(NC1COC1)c1cccc2nn[n-]c21 ZINC000634258191 361130486 /nfs/dbraw/zinc/13/04/86/361130486.db2.gz QFDTZOYZDKDILX-UHFFFAOYSA-N -1 3 218.216 0.087 20 0 BCADHM O=C(NC1COC1)c1cccc2[n-]nnc21 ZINC000634258191 361130492 /nfs/dbraw/zinc/13/04/92/361130492.db2.gz QFDTZOYZDKDILX-UHFFFAOYSA-N -1 3 218.216 0.087 20 0 BCADHM O=C(NC1COC1)c1cccc2n[n-]nc21 ZINC000634258191 361130497 /nfs/dbraw/zinc/13/04/97/361130497.db2.gz QFDTZOYZDKDILX-UHFFFAOYSA-N -1 3 218.216 0.087 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640483313 361259023 /nfs/dbraw/zinc/25/90/23/361259023.db2.gz VVJHFSNKCVBOEL-UFBFGSQYSA-N -1 3 235.287 0.311 20 0 BCADHM CC[C@H](CO)[N-]S(=O)(=O)c1cscn1 ZINC000579225246 366736947 /nfs/dbraw/zinc/73/69/47/366736947.db2.gz AUEUKOQBMZEGCW-ZCFIWIBFSA-N -1 3 236.318 0.192 20 0 BCADHM C[C@@]1([N-]S(=O)(=O)c2cscn2)CCOC1 ZINC000579232392 366740974 /nfs/dbraw/zinc/74/09/74/366740974.db2.gz WAQGJBHOOPEBKZ-MRVPVSSYSA-N -1 3 248.329 0.600 20 0 BCADHM NC1(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000083360753 181328532 /nfs/dbraw/zinc/32/85/32/181328532.db2.gz BPTQQYPSEPLTET-UHFFFAOYSA-N -1 3 234.255 0.492 20 0 BCADHM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000632627051 361388467 /nfs/dbraw/zinc/38/84/67/361388467.db2.gz AAUBUHFBCVZZQO-NKWVEPMBSA-N -1 3 215.278 0.107 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2C)c1 ZINC000632630368 361424763 /nfs/dbraw/zinc/42/47/63/361424763.db2.gz JWPTXISARXRNGX-HTQZYQBOSA-N -1 3 229.305 0.590 20 0 BCADHM CC(C)=CCNC(=O)C(=O)[N-]c1cnns1 ZINC000430026385 201139048 /nfs/dbraw/zinc/13/90/48/201139048.db2.gz MUFUFPNPBGAZBB-UHFFFAOYSA-N -1 3 240.288 0.559 20 0 BCADHM O=C(N[C@H]1Cc2cccc(O)c2C1)c1c[n-]nn1 ZINC000430238635 201156523 /nfs/dbraw/zinc/15/65/23/201156523.db2.gz IBOGCYIJEUCNFL-QMMMGPOBSA-N -1 3 244.254 0.408 20 0 BCADHM O=C(N[C@H]1Cc2cccc(O)c2C1)c1cnn[n-]1 ZINC000430238635 201156525 /nfs/dbraw/zinc/15/65/25/201156525.db2.gz IBOGCYIJEUCNFL-QMMMGPOBSA-N -1 3 244.254 0.408 20 0 BCADHM O=C(N[C@H]1Cc2cccc(O)c2C1)c1cn[n-]n1 ZINC000430238635 201156529 /nfs/dbraw/zinc/15/65/29/201156529.db2.gz IBOGCYIJEUCNFL-QMMMGPOBSA-N -1 3 244.254 0.408 20 0 BCADHM Cn1nncc1C(=O)Nc1ccc([O-])cc1F ZINC000436490040 201330807 /nfs/dbraw/zinc/33/08/07/201330807.db2.gz XHJWQAXJEITSLM-UHFFFAOYSA-N -1 3 236.206 0.912 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CC(CCO)C1 ZINC000436624787 201333561 /nfs/dbraw/zinc/33/35/61/201333561.db2.gz CIUUQGVSGAKCHE-UHFFFAOYSA-N -1 3 237.255 0.552 20 0 BCADHM CN(Cc1ncon1)C(=O)c1ccc(O)cc1[O-] ZINC000436626118 201334726 /nfs/dbraw/zinc/33/47/26/201334726.db2.gz HDZKMGDPJQLBEV-UHFFFAOYSA-N -1 3 249.226 0.753 20 0 BCADHM O=C(Nc1ncccc1[O-])c1ccnnc1 ZINC000153663217 541305004 /nfs/dbraw/zinc/30/50/04/541305004.db2.gz FHQRTGXSFQGRAC-UHFFFAOYSA-N -1 3 216.200 0.830 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCCCN1 ZINC000614737157 363947616 /nfs/dbraw/zinc/94/76/16/363947616.db2.gz SZOYGHYEOPYUNO-UHFFFAOYSA-N -1 3 231.259 0.699 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCCCN1 ZINC000614737157 363947621 /nfs/dbraw/zinc/94/76/21/363947621.db2.gz SZOYGHYEOPYUNO-UHFFFAOYSA-N -1 3 231.259 0.699 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCCCN1 ZINC000614737157 363947625 /nfs/dbraw/zinc/94/76/25/363947625.db2.gz SZOYGHYEOPYUNO-UHFFFAOYSA-N -1 3 231.259 0.699 20 0 BCADHM Cc1c[nH]cc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614922248 364092436 /nfs/dbraw/zinc/09/24/36/364092436.db2.gz OMMZQZBPEGCXNC-UHFFFAOYSA-N -1 3 248.286 0.709 20 0 BCADHM CC(C)c1cnc(S(=O)(=O)C[C@H](C)O)[n-]1 ZINC000630429728 364157441 /nfs/dbraw/zinc/15/74/41/364157441.db2.gz ALQYVOFMDSZEOU-ZETCQYMHSA-N -1 3 232.305 0.688 20 0 BCADHM CC(C)c1c[n-]c(S(=O)(=O)C[C@H](C)O)n1 ZINC000630429728 364157445 /nfs/dbraw/zinc/15/74/45/364157445.db2.gz ALQYVOFMDSZEOU-ZETCQYMHSA-N -1 3 232.305 0.688 20 0 BCADHM CNC(=O)CS(=O)(=O)c1ncc(C(C)C)[n-]1 ZINC000630431849 364159060 /nfs/dbraw/zinc/15/90/60/364159060.db2.gz DAISQZZRIMNYLQ-UHFFFAOYSA-N -1 3 245.304 0.053 20 0 BCADHM CNC(=O)CS(=O)(=O)c1nc(C(C)C)c[n-]1 ZINC000630431849 364159068 /nfs/dbraw/zinc/15/90/68/364159068.db2.gz DAISQZZRIMNYLQ-UHFFFAOYSA-N -1 3 245.304 0.053 20 0 BCADHM Cn1nc(-c2cc(C(F)(F)F)[n-]n2)n(C)c1=O ZINC000630496077 364184932 /nfs/dbraw/zinc/18/49/32/364184932.db2.gz WHAHESMJFMMUNY-UHFFFAOYSA-N -1 3 247.180 0.528 20 0 BCADHM CC[C@@H](C(=O)N(C)Cc1n[n-]c(=O)o1)N(C)C ZINC000622117068 370721286 /nfs/dbraw/zinc/72/12/86/370721286.db2.gz PXTDMQFFNGSWHL-ZETCQYMHSA-N -1 3 242.279 0.074 20 0 BCADHM O=C(NCCOCCF)c1c([O-])cccc1O ZINC000622186423 370752564 /nfs/dbraw/zinc/75/25/64/370752564.db2.gz IJASBJPMEYBJGI-UHFFFAOYSA-N -1 3 243.234 0.814 20 0 BCADHM CCN[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000630570762 364265690 /nfs/dbraw/zinc/26/56/90/364265690.db2.gz FFOPSDPTAFGYPF-YIZRAAEISA-N -1 3 230.308 0.600 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1ccnn1C ZINC000135142190 364429106 /nfs/dbraw/zinc/42/91/06/364429106.db2.gz LIIWDQGAVZTOEI-ONEGZZNKSA-N -1 3 225.248 0.128 20 0 BCADHM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C(C)C)N(C)C ZINC000615225860 364645776 /nfs/dbraw/zinc/64/57/76/364645776.db2.gz HOGWPHBUMVFNAQ-SECBINFHSA-N -1 3 240.307 0.948 20 0 BCADHM CCCN(C)CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000615228524 364646313 /nfs/dbraw/zinc/64/63/13/364646313.db2.gz YOBDBPWIDWMMFA-UHFFFAOYSA-N -1 3 226.280 0.704 20 0 BCADHM Cc1ncc(CNC(=O)Cn2ccnc2)c(=O)[n-]1 ZINC000567543834 364741458 /nfs/dbraw/zinc/74/14/58/364741458.db2.gz KMTRNKSSOMLNBM-UHFFFAOYSA-N -1 3 247.258 0.004 20 0 BCADHM Cc1nc(C)c(CC(=O)N2CCCO2)c(=O)[n-]1 ZINC000155837096 364741789 /nfs/dbraw/zinc/74/17/89/364741789.db2.gz DNSGHUSWXDBGHX-UHFFFAOYSA-N -1 3 237.259 0.093 20 0 BCADHM COC(C)(C)CS(=O)(=O)[N-]Cc1ccno1 ZINC000573489639 364841597 /nfs/dbraw/zinc/84/15/97/364841597.db2.gz OCOCWDWLIPLMGX-UHFFFAOYSA-N -1 3 248.304 0.519 20 0 BCADHM COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)[O-] ZINC000574259930 365019997 /nfs/dbraw/zinc/01/99/97/365019997.db2.gz FIUYRHJGSAXOOB-UTLUCORTSA-N -1 3 241.287 0.877 20 0 BCADHM C[C@H](CCO)CNC(=O)Cc1cncc([O-])c1 ZINC000574650693 365112752 /nfs/dbraw/zinc/11/27/52/365112752.db2.gz HRUBDFMYFKAZIP-SECBINFHSA-N -1 3 238.287 0.464 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)CC(C)(C)C)CC1 ZINC000443040897 193011806 /nfs/dbraw/zinc/01/18/06/193011806.db2.gz VJMQSEUHPSGWLZ-UHFFFAOYSA-N -1 3 249.332 0.658 20 0 BCADHM CCO[C@@H]1C[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000575202167 365241796 /nfs/dbraw/zinc/24/17/96/365241796.db2.gz HYXYIKDQXYEKOB-WDEREUQCSA-N -1 3 246.270 0.865 20 0 BCADHM COc1ccc(NC(=O)CNC(N)=O)c([O-])c1 ZINC000345208010 541455811 /nfs/dbraw/zinc/45/58/11/541455811.db2.gz YEIXSTFMXXORQN-UHFFFAOYSA-N -1 3 239.231 0.008 20 0 BCADHM CC[C@H](CN1C[C@@H](OC)C[C@@H]1C(=O)[O-])OC ZINC000575412454 365313476 /nfs/dbraw/zinc/31/34/76/365313476.db2.gz AEPJNKHZALMCOP-KXUCPTDWSA-N -1 3 231.292 0.585 20 0 BCADHM CC[C@H](CO)NC(=O)Cc1cncc([O-])c1 ZINC000575881320 365403559 /nfs/dbraw/zinc/40/35/59/365403559.db2.gz NLFFPAPZTGYQHO-SECBINFHSA-N -1 3 224.260 0.217 20 0 BCADHM CCOC(=O)[C@@H]([N-]S(C)(=O)=O)[C@@H](C)CC ZINC000173962161 365459329 /nfs/dbraw/zinc/45/93/29/365459329.db2.gz HABFQTUMWMFCHN-YUMQZZPRSA-N -1 3 237.321 0.513 20 0 BCADHM CC(=O)N[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174872030 365518991 /nfs/dbraw/zinc/51/89/91/365518991.db2.gz KLIRQLPMGGZZTQ-LURJTMIESA-N -1 3 240.234 0.994 20 0 BCADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(=O)[nH]n1 ZINC000174898832 365519225 /nfs/dbraw/zinc/51/92/25/365519225.db2.gz IOLXCGPQJBQARL-UHFFFAOYSA-N -1 3 249.201 0.867 20 0 BCADHM O=C1CC[C@H]2CN(Cc3ncccc3[O-])CCN12 ZINC000576147585 365500247 /nfs/dbraw/zinc/50/02/47/365500247.db2.gz DMHJWKMXLPSRAB-JTQLQIEISA-N -1 3 247.298 0.594 20 0 BCADHM CC(C)[C@H](O)CNC(=O)c1cccc2nn[n-]c21 ZINC000182804941 366943625 /nfs/dbraw/zinc/94/36/25/366943625.db2.gz STVKNWGJZRWSIE-SNVBAGLBSA-N -1 3 248.286 0.705 20 0 BCADHM CC(C)[C@H](O)CNC(=O)c1cccc2[n-]nnc21 ZINC000182804941 366943631 /nfs/dbraw/zinc/94/36/31/366943631.db2.gz STVKNWGJZRWSIE-SNVBAGLBSA-N -1 3 248.286 0.705 20 0 BCADHM CC(C)[C@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC000182804941 366943634 /nfs/dbraw/zinc/94/36/34/366943634.db2.gz STVKNWGJZRWSIE-SNVBAGLBSA-N -1 3 248.286 0.705 20 0 BCADHM CCc1nnc(NC(=O)c2cncc([O-])c2)[nH]1 ZINC000183571563 367031127 /nfs/dbraw/zinc/03/11/27/367031127.db2.gz MDDGEEGOWWEIML-UHFFFAOYSA-N -1 3 233.231 0.720 20 0 BCADHM CCc1nc(NC(=O)c2cncc([O-])c2)n[nH]1 ZINC000183571563 367031132 /nfs/dbraw/zinc/03/11/32/367031132.db2.gz MDDGEEGOWWEIML-UHFFFAOYSA-N -1 3 233.231 0.720 20 0 BCADHM CN(CC(N)=O)C(=O)Cc1ccc([O-])c(F)c1 ZINC000622308442 370837183 /nfs/dbraw/zinc/83/71/83/370837183.db2.gz GXNRHIQIABTCRA-UHFFFAOYSA-N -1 3 240.234 0.018 20 0 BCADHM Cn1nncc1CC(=O)Nc1ccccc1[O-] ZINC000622322518 370848388 /nfs/dbraw/zinc/84/83/88/370848388.db2.gz SSUWYLGZTSRTJM-UHFFFAOYSA-N -1 3 232.243 0.702 20 0 BCADHM O=C(NCCn1cncn1)c1ccccc1[O-] ZINC000381270630 367373276 /nfs/dbraw/zinc/37/32/76/367373276.db2.gz HQZQWEQPMAOHFT-UHFFFAOYSA-N -1 3 232.243 0.414 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2CC(=O)N(C)C2)n1 ZINC000581528627 367550019 /nfs/dbraw/zinc/55/00/19/367550019.db2.gz XFZBVRDKDAYSEC-QMMMGPOBSA-N -1 3 236.275 0.283 20 0 BCADHM CN(C)c1nc(C(=O)NCCCF)cc(=O)[n-]1 ZINC000581582792 367605282 /nfs/dbraw/zinc/60/52/82/367605282.db2.gz LZXDAVPMNSGLEE-UHFFFAOYSA-N -1 3 242.254 0.338 20 0 BCADHM C[C@@H]1C[C@H](O)CN1C(=O)c1ccc(O)cc1[O-] ZINC000384855329 367744532 /nfs/dbraw/zinc/74/45/32/367744532.db2.gz DRYAQMRFXUFMHW-APPZFPTMSA-N -1 3 237.255 0.693 20 0 BCADHM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000385057717 367780179 /nfs/dbraw/zinc/78/01/79/367780179.db2.gz UHUVQPMDPNRKRO-SSDOTTSWSA-N -1 3 247.320 0.238 20 0 BCADHM O=C(Cc1cncc([O-])c1)N(C1CC1)C1COC1 ZINC000615456712 367912381 /nfs/dbraw/zinc/91/23/81/367912381.db2.gz BCUYGSHXOIXRLP-UHFFFAOYSA-N -1 3 248.282 0.720 20 0 BCADHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H](C)CCN1)C(=O)[O-] ZINC000387174755 368093782 /nfs/dbraw/zinc/09/37/82/368093782.db2.gz VPESIKKAWGVZMR-UTLUCORTSA-N -1 3 242.319 0.554 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCC12COC2 ZINC000615921156 368667329 /nfs/dbraw/zinc/66/73/29/368667329.db2.gz KRBGKYAUOUHEKN-UHFFFAOYSA-N -1 3 234.255 0.331 20 0 BCADHM CC[C@@H](NC(=O)c1ccccc1[O-])C(=O)NC ZINC000456986654 202997776 /nfs/dbraw/zinc/99/77/76/202997776.db2.gz BSCSFPXGHUDTIW-SECBINFHSA-N -1 3 236.271 0.647 20 0 BCADHM C[C@H](O)[C@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000618925080 368869245 /nfs/dbraw/zinc/86/92/45/368869245.db2.gz KVQCCTDJTXXQCZ-POYBYMJQSA-N -1 3 242.300 0.834 20 0 BCADHM Cc1cc(OCC(N)=O)cc2occ([O-])c21 ZINC000642609955 368933681 /nfs/dbraw/zinc/93/36/81/368933681.db2.gz HQUBFAJHXIGNRU-UHFFFAOYSA-N -1 3 221.212 0.434 20 0 BCADHM COCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000567416351 326186336 /nfs/dbraw/zinc/18/63/36/326186336.db2.gz QLAUDVITCBAAHA-UHFFFAOYSA-N -1 3 237.259 0.436 20 0 BCADHM CC(C)N(Cc1ncccc1[O-])C[C@H](O)CO ZINC000567603866 326226891 /nfs/dbraw/zinc/22/68/91/326226891.db2.gz LWRXMRHGXXUGQN-JTQLQIEISA-N -1 3 240.303 0.351 20 0 BCADHM COC1CN(Cc2nc(C)ccc2[O-])C1 ZINC000459587375 203307498 /nfs/dbraw/zinc/30/74/98/203307498.db2.gz VGFYVFOODSCPNI-UHFFFAOYSA-N -1 3 208.261 0.926 20 0 BCADHM O=C(NCCN1CCCC1=O)c1ccccc1[O-] ZINC000405952689 369481313 /nfs/dbraw/zinc/48/13/13/369481313.db2.gz SCFYIJVCHWEHOE-UHFFFAOYSA-N -1 3 248.282 0.744 20 0 BCADHM Cn1cnnc1[N-]C(=O)C1(O)CCCCC1 ZINC000622512567 370974508 /nfs/dbraw/zinc/97/45/08/370974508.db2.gz MXKSNSAWJURDQD-UHFFFAOYSA-N -1 3 224.264 0.449 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1C[C@H]1C ZINC000619865552 369620397 /nfs/dbraw/zinc/62/03/97/369620397.db2.gz DGWFZVRSBGCNMU-RITPCOANSA-N -1 3 223.232 0.791 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1C[C@H]1C ZINC000619865552 369620400 /nfs/dbraw/zinc/62/04/00/369620400.db2.gz DGWFZVRSBGCNMU-RITPCOANSA-N -1 3 223.232 0.791 20 0 BCADHM CCCN1CC[C@H](NC(=O)c2cc(=O)[nH][n-]2)C1 ZINC000619894155 369626719 /nfs/dbraw/zinc/62/67/19/369626719.db2.gz MGJNVXALZODNOJ-QMMMGPOBSA-N -1 3 238.291 0.329 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1nccn1C ZINC000620595663 369947214 /nfs/dbraw/zinc/94/72/14/369947214.db2.gz JYIAAJGJOANGOG-ZCFIWIBFSA-N -1 3 220.236 0.029 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1nccn1C ZINC000620595663 369947219 /nfs/dbraw/zinc/94/72/19/369947219.db2.gz JYIAAJGJOANGOG-ZCFIWIBFSA-N -1 3 220.236 0.029 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1nccn1C ZINC000620595663 369947222 /nfs/dbraw/zinc/94/72/22/369947222.db2.gz JYIAAJGJOANGOG-ZCFIWIBFSA-N -1 3 220.236 0.029 20 0 BCADHM COc1ccc(C(=O)N[C@H]2C[C@H](O)C2)c([O-])c1 ZINC000620869659 370020970 /nfs/dbraw/zinc/02/09/70/370020970.db2.gz MITXSFMSXUCUIS-ZKCHVHJHSA-N -1 3 237.255 0.654 20 0 BCADHM COc1cccc(C(=O)N[C@H]2C[C@H](O)C2)c1[O-] ZINC000620869354 370021269 /nfs/dbraw/zinc/02/12/69/370021269.db2.gz HJBZSYKIPFOZSP-ZKCHVHJHSA-N -1 3 237.255 0.654 20 0 BCADHM COc1cc(C(=O)N[C@H]2C[C@H](O)C2)ccc1[O-] ZINC000620876031 370028811 /nfs/dbraw/zinc/02/88/11/370028811.db2.gz RGPJJTKBOVHWRA-KYZUINATSA-N -1 3 237.255 0.654 20 0 BCADHM C[C@H]1CN(C(=O)c2cc(F)c[n-]c2=O)CCO1 ZINC000621343508 370277225 /nfs/dbraw/zinc/27/72/25/370277225.db2.gz IWIYIMQQLQVZFM-ZETCQYMHSA-N -1 3 240.234 0.787 20 0 BCADHM C[C@@H](CO)[C@@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000621917928 370599501 /nfs/dbraw/zinc/59/95/01/370599501.db2.gz NKMSYVBHAMJZQM-NKWVEPMBSA-N -1 3 242.250 0.673 20 0 BCADHM C[C@H](O)CCNC(=O)c1cc(F)c[n-]c1=O ZINC000621920707 370600371 /nfs/dbraw/zinc/60/03/71/370600371.db2.gz LTRWNEZNHBSZJD-LURJTMIESA-N -1 3 228.223 0.427 20 0 BCADHM COC[C@H](OC)C(=O)[N-]c1onc(C)c1C ZINC000621886807 370581076 /nfs/dbraw/zinc/58/10/76/370581076.db2.gz DNGRNAPADOROJX-QMMMGPOBSA-N -1 3 228.248 0.891 20 0 BCADHM CCC[C@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947815 370997632 /nfs/dbraw/zinc/99/76/32/370997632.db2.gz IHYHRSPKYVVHII-ZETCQYMHSA-N -1 3 217.294 0.877 20 0 BCADHM C[C@@]1(NC(=O)c2cc(F)c[n-]c2=O)CCOC1 ZINC000621933883 370607958 /nfs/dbraw/zinc/60/79/58/370607958.db2.gz YUOFNJPMRAELPR-LLVKDONJSA-N -1 3 240.234 0.835 20 0 BCADHM C[C@@H](CO)N(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621937151 370609079 /nfs/dbraw/zinc/60/90/79/370609079.db2.gz WTRXWJOKIGBVLJ-LURJTMIESA-N -1 3 228.223 0.379 20 0 BCADHM Cc1cc(CN(C)C(=O)c2cc(=O)[n-]cn2)no1 ZINC000623968068 371203388 /nfs/dbraw/zinc/20/33/88/371203388.db2.gz SJLNCLJDRMAMDQ-UHFFFAOYSA-N -1 3 248.242 0.751 20 0 BCADHM C[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000125100420 371285188 /nfs/dbraw/zinc/28/51/88/371285188.db2.gz QXGOGNCOOMEHGC-SSDOTTSWSA-N -1 3 229.305 0.734 20 0 BCADHM CC1(C)C[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000624524794 371530455 /nfs/dbraw/zinc/53/04/55/371530455.db2.gz CZGOIAIHKHZFOL-SSDOTTSWSA-N -1 3 207.233 0.711 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCc2[nH]cnc2C1 ZINC000627375498 371591189 /nfs/dbraw/zinc/59/11/89/371591189.db2.gz XFGDFNXFXVPKBB-UHFFFAOYSA-N -1 3 245.242 0.104 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCc2nc[nH]c2C1 ZINC000627375498 371591191 /nfs/dbraw/zinc/59/11/91/371591191.db2.gz XFGDFNXFXVPKBB-UHFFFAOYSA-N -1 3 245.242 0.104 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCn2cncc2C1 ZINC000627393762 371599547 /nfs/dbraw/zinc/59/95/47/371599547.db2.gz JTFXPNGXLZZYFW-UHFFFAOYSA-N -1 3 245.242 0.035 20 0 BCADHM COCC(C)(C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000627493053 371658574 /nfs/dbraw/zinc/65/85/74/371658574.db2.gz UIGQJXWYLFCGJY-UHFFFAOYSA-N -1 3 239.275 0.585 20 0 BCADHM Nc1nccnc1C(=O)Nc1ncccc1[O-] ZINC000071820414 181804478 /nfs/dbraw/zinc/80/44/78/181804478.db2.gz OGHVQHVLDCRHGU-UHFFFAOYSA-N -1 3 231.215 0.412 20 0 BCADHM C[C@@H](CCCCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000627590187 371764452 /nfs/dbraw/zinc/76/44/52/371764452.db2.gz LVEHZSPFWCTUPZ-QMMMGPOBSA-N -1 3 239.275 0.463 20 0 BCADHM O=C(N[C@H]1CC[C@@H](CO)C1)c1cc(=O)[n-]cn1 ZINC000627590470 371766575 /nfs/dbraw/zinc/76/65/75/371766575.db2.gz WMEXZUNLBIHZIS-SFYZADRCSA-N -1 3 237.259 0.073 20 0 BCADHM CC[C@@H](NC(=O)c1cc(=O)[n-]cn1)[C@H](C)O ZINC000627635909 371797949 /nfs/dbraw/zinc/79/79/49/371797949.db2.gz DJWSRTJILREZGK-NKWVEPMBSA-N -1 3 225.248 0.071 20 0 BCADHM CC[C@H](NC(=O)c1cc(=O)[n-]cn1)[C@H](C)O ZINC000627635908 371798194 /nfs/dbraw/zinc/79/81/94/371798194.db2.gz DJWSRTJILREZGK-BQBZGAKWSA-N -1 3 225.248 0.071 20 0 BCADHM CCO[C@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)C1 ZINC000627713601 371876787 /nfs/dbraw/zinc/87/67/87/371876787.db2.gz ATEJGXUGUCSPSN-OCAPTIKFSA-N -1 3 237.259 0.480 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)CS1 ZINC000627748216 371939912 /nfs/dbraw/zinc/93/99/12/371939912.db2.gz TWODHTZVDNHYSM-NKWVEPMBSA-N -1 3 239.300 0.806 20 0 BCADHM O=C(N[C@@H]1CC12CC2)c1cc(=O)[n-]cn1 ZINC000627831382 372043130 /nfs/dbraw/zinc/04/31/30/372043130.db2.gz YZOFGCZSJKQWHC-SSDOTTSWSA-N -1 3 205.217 0.465 20 0 BCADHM CC(C)(C)O[N-]C(=O)c1cnns1 ZINC000134220205 372182937 /nfs/dbraw/zinc/18/29/37/372182937.db2.gz GARGZNXHVLZBHJ-UHFFFAOYSA-N -1 3 201.251 0.998 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)CO1 ZINC000627968570 372167078 /nfs/dbraw/zinc/16/70/78/372167078.db2.gz DNZIRORYIQLSGU-RNFRBKRXSA-N -1 3 223.232 0.089 20 0 BCADHM CCC[C@@H](C)[N-]S(=O)(=O)c1nncn1C ZINC000631645125 372479290 /nfs/dbraw/zinc/47/92/90/372479290.db2.gz XBTHGWHAESQDCK-SSDOTTSWSA-N -1 3 232.309 0.282 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]CC(C)(C)C ZINC000631789951 372574558 /nfs/dbraw/zinc/57/45/58/372574558.db2.gz APQDYXSEKZCKGE-UHFFFAOYSA-N -1 3 232.309 0.140 20 0 BCADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1nncn1C ZINC000631794771 372577856 /nfs/dbraw/zinc/57/78/56/372577856.db2.gz XBODOKWZPUNSLJ-HTQZYQBOSA-N -1 3 246.336 0.528 20 0 BCADHM CO[C@@H](C)CC[N-]S(=O)(=O)c1conc1C ZINC000631882152 372680216 /nfs/dbraw/zinc/68/02/16/372680216.db2.gz RYGLKVLSDDXLCL-ZETCQYMHSA-N -1 3 248.304 0.686 20 0 BCADHM CC[C@](C)(O)C[N-]S(=O)(=O)c1conc1C ZINC000632006355 372720490 /nfs/dbraw/zinc/72/04/90/372720490.db2.gz WWSWTOAEAKWFLU-VIFPVBQESA-N -1 3 248.304 0.422 20 0 BCADHM CCC[C@H](O)C[N-]S(=O)(=O)c1conc1C ZINC000632012709 372723108 /nfs/dbraw/zinc/72/31/08/372723108.db2.gz WLLFXKLMDQSGNA-QMMMGPOBSA-N -1 3 248.304 0.422 20 0 BCADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1nncn1C ZINC000632133786 372773854 /nfs/dbraw/zinc/77/38/54/372773854.db2.gz FEUWSDZIQARJAY-QMMMGPOBSA-N -1 3 246.336 0.528 20 0 BCADHM COc1nnc(NC(=O)[C@H](C)c2ccncc2)[n-]1 ZINC000632257948 372842337 /nfs/dbraw/zinc/84/23/37/372842337.db2.gz RLGIYCWOKZCFET-SSDOTTSWSA-N -1 3 247.258 0.951 20 0 BCADHM COc1nc(NC(=O)[C@H](C)c2ccncc2)n[n-]1 ZINC000632257948 372842342 /nfs/dbraw/zinc/84/23/42/372842342.db2.gz RLGIYCWOKZCFET-SSDOTTSWSA-N -1 3 247.258 0.951 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](C)c2ccncc2)n1 ZINC000632257948 372842349 /nfs/dbraw/zinc/84/23/49/372842349.db2.gz RLGIYCWOKZCFET-SSDOTTSWSA-N -1 3 247.258 0.951 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CCCCCO ZINC000632290030 372867040 /nfs/dbraw/zinc/86/70/40/372867040.db2.gz DNOKBDPJDCJCKB-UHFFFAOYSA-N -1 3 248.304 0.424 20 0 BCADHM CC(C)(F)C[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000632608869 373029659 /nfs/dbraw/zinc/02/96/59/373029659.db2.gz JYFYBUJINLBHIL-ZETCQYMHSA-N -1 3 225.285 0.443 20 0 BCADHM O=S(=O)([N-][C@H]1C[C@@H](CO)C1)c1ccco1 ZINC000632620256 373036916 /nfs/dbraw/zinc/03/69/16/373036916.db2.gz FOHUJXFDHBVKRN-OCAPTIKFSA-N -1 3 231.273 0.329 20 0 BCADHM CC1([N-]S(=O)(=O)c2cccs2)COC1 ZINC000632665372 373059484 /nfs/dbraw/zinc/05/94/84/373059484.db2.gz NXZZMAMEWKPMLT-UHFFFAOYSA-N -1 3 233.314 0.815 20 0 BCADHM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2C)cn1C ZINC000632628751 373042020 /nfs/dbraw/zinc/04/20/20/373042020.db2.gz YUJNXOVTPLUZBF-HTRCEHHLSA-N -1 3 229.305 0.415 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000172892608 373103827 /nfs/dbraw/zinc/10/38/27/373103827.db2.gz OQZNLNSVWIKCKT-UHFFFAOYSA-N -1 3 242.304 0.572 20 0 BCADHM O=C(Cn1cccnc1=O)Nc1ccccc1[O-] ZINC000340116421 182070062 /nfs/dbraw/zinc/07/00/62/182070062.db2.gz AMDHHMQANPRMLP-UHFFFAOYSA-N -1 3 245.238 0.588 20 0 BCADHM O=C(NC1CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104135603 182099450 /nfs/dbraw/zinc/09/94/50/182099450.db2.gz CERJFMIXAXOWNN-UHFFFAOYSA-N -1 3 230.223 0.462 20 0 BCADHM O=C(NC1CCC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000336242114 182106962 /nfs/dbraw/zinc/10/69/62/182106962.db2.gz YBLSHKDOVMNAFN-UHFFFAOYSA-N -1 3 244.250 0.853 20 0 BCADHM O=C(C[C@H]1C=CCC1)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633522407 373583386 /nfs/dbraw/zinc/58/33/86/373583386.db2.gz UNLYMCQDKSRWDL-QMMMGPOBSA-N -1 3 249.270 0.860 20 0 BCADHM O=C(NCCCC(F)(F)F)c1c[n-]nn1 ZINC000097989103 182157729 /nfs/dbraw/zinc/15/77/29/182157729.db2.gz WPBCDOBOZHXKBR-UHFFFAOYSA-N -1 3 222.170 0.877 20 0 BCADHM O=C(NCCCC(F)(F)F)c1cnn[n-]1 ZINC000097989103 182157730 /nfs/dbraw/zinc/15/77/30/182157730.db2.gz WPBCDOBOZHXKBR-UHFFFAOYSA-N -1 3 222.170 0.877 20 0 BCADHM O=C(NCCCC(F)(F)F)c1cn[n-]n1 ZINC000097989103 182157731 /nfs/dbraw/zinc/15/77/31/182157731.db2.gz WPBCDOBOZHXKBR-UHFFFAOYSA-N -1 3 222.170 0.877 20 0 BCADHM O=C(NCCN1CC=CCC1)c1cncc([O-])c1 ZINC000280326166 182181932 /nfs/dbraw/zinc/18/19/32/182181932.db2.gz PUWLVMNIYPQSBX-UHFFFAOYSA-N -1 3 247.298 0.779 20 0 BCADHM CC1(NC(=O)c2ccc(O)cc2[O-])COC1 ZINC000634190322 374003171 /nfs/dbraw/zinc/00/31/71/374003171.db2.gz JPGPZJDYRWYWLP-UHFFFAOYSA-N -1 3 223.228 0.617 20 0 BCADHM COc1ccc(C(=O)NC2(C)COC2)c([O-])c1 ZINC000634186489 373994195 /nfs/dbraw/zinc/99/41/95/373994195.db2.gz MNCSTEWRDVEIHC-UHFFFAOYSA-N -1 3 237.255 0.920 20 0 BCADHM O=C(NC[C@H](O)C1CC1)c1ccccc1[O-] ZINC000070855977 182233024 /nfs/dbraw/zinc/23/30/24/182233024.db2.gz PYPKLJFOVYBIPD-NSHDSACASA-N -1 3 221.256 0.893 20 0 BCADHM CN(C)C(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC000041794217 374187737 /nfs/dbraw/zinc/18/77/37/374187737.db2.gz VKQYEPNYCVJDRH-UHFFFAOYSA-N -1 3 242.319 0.842 20 0 BCADHM O=C(NCc1ncccc1[O-])NC1CC1 ZINC000336414222 182273281 /nfs/dbraw/zinc/27/32/81/182273281.db2.gz DKQRNAIAAJBQBM-UHFFFAOYSA-N -1 3 207.233 0.749 20 0 BCADHM O=C(NN1CCCC1)c1c([O-])cccc1O ZINC000298558171 182276666 /nfs/dbraw/zinc/27/66/66/182276666.db2.gz YWIJQTHXPMLTNA-UHFFFAOYSA-N -1 3 222.244 0.838 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]1CCO)c1c[n-]nn1 ZINC000189264920 182297342 /nfs/dbraw/zinc/29/73/42/182297342.db2.gz RMPPUBPMUSBDFW-HTQZYQBOSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]1CCO)c1cnn[n-]1 ZINC000189264920 182297343 /nfs/dbraw/zinc/29/73/43/182297343.db2.gz RMPPUBPMUSBDFW-HTQZYQBOSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]1CCO)c1cn[n-]n1 ZINC000189264920 182297345 /nfs/dbraw/zinc/29/73/45/182297345.db2.gz RMPPUBPMUSBDFW-HTQZYQBOSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCCC[C@@H]1CO)c1c[n-]nn1 ZINC000230181639 182328049 /nfs/dbraw/zinc/32/80/49/182328049.db2.gz RQIVJQGKYQULAC-SFYZADRCSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCCC[C@@H]1CO)c1cnn[n-]1 ZINC000230181639 182328052 /nfs/dbraw/zinc/32/80/52/182328052.db2.gz RQIVJQGKYQULAC-SFYZADRCSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCCC[C@@H]1CO)c1cn[n-]n1 ZINC000230181639 182328054 /nfs/dbraw/zinc/32/80/54/182328054.db2.gz RQIVJQGKYQULAC-SFYZADRCSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCc2c1cccc2O)c1c[n-]nn1 ZINC000111605438 182341151 /nfs/dbraw/zinc/34/11/51/182341151.db2.gz FGJRTGNJWFQWGD-VIFPVBQESA-N -1 3 244.254 0.928 20 0 BCADHM O=C(N[C@H]1CCc2c1cccc2O)c1cnn[n-]1 ZINC000111605438 182341153 /nfs/dbraw/zinc/34/11/53/182341153.db2.gz FGJRTGNJWFQWGD-VIFPVBQESA-N -1 3 244.254 0.928 20 0 BCADHM O=C(N[C@H]1CCc2c1cccc2O)c1cn[n-]n1 ZINC000111605438 182341157 /nfs/dbraw/zinc/34/11/57/182341157.db2.gz FGJRTGNJWFQWGD-VIFPVBQESA-N -1 3 244.254 0.928 20 0 BCADHM O=C(Nc1ccc(=O)[nH]c1)c1c[n-]nn1 ZINC000336661036 182360783 /nfs/dbraw/zinc/36/07/83/182360783.db2.gz BZHDSHRIFPZHHN-UHFFFAOYSA-N -1 3 205.177 0.158 20 0 BCADHM O=C(Nc1ccc(=O)[nH]c1)c1cnn[n-]1 ZINC000336661036 182360785 /nfs/dbraw/zinc/36/07/85/182360785.db2.gz BZHDSHRIFPZHHN-UHFFFAOYSA-N -1 3 205.177 0.158 20 0 BCADHM O=C(Nc1ccc(=O)[nH]c1)c1cn[n-]n1 ZINC000336661036 182360788 /nfs/dbraw/zinc/36/07/88/182360788.db2.gz BZHDSHRIFPZHHN-UHFFFAOYSA-N -1 3 205.177 0.158 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@H]1COCCO1 ZINC000048121476 182380157 /nfs/dbraw/zinc/38/01/57/182380157.db2.gz MUVZRMNTVMMZSM-SNVBAGLBSA-N -1 3 223.228 0.746 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@@H]1COCCO1 ZINC000048121473 182380470 /nfs/dbraw/zinc/38/04/70/182380470.db2.gz MUVZRMNTVMMZSM-JTQLQIEISA-N -1 3 223.228 0.746 20 0 BCADHM O=C([N-]c1ccccn1)c1cccc[n+]1[O-] ZINC000034111139 182382936 /nfs/dbraw/zinc/38/29/36/182382936.db2.gz WTHSVHOZNRMMEI-UHFFFAOYSA-N -1 3 215.212 0.967 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1nnc[nH]1 ZINC000367699527 182399751 /nfs/dbraw/zinc/39/97/51/182399751.db2.gz QRUHIEIISFTKAL-BQBZGAKWSA-N -1 3 245.242 0.648 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000367699527 182399753 /nfs/dbraw/zinc/39/97/53/182399753.db2.gz QRUHIEIISFTKAL-BQBZGAKWSA-N -1 3 245.242 0.648 20 0 BCADHM O=C([N-]c1cnns1)c1cnns1 ZINC000306226989 182395224 /nfs/dbraw/zinc/39/52/24/182395224.db2.gz GLRZGPMUJGDUKW-UHFFFAOYSA-N -1 3 213.247 0.642 20 0 BCADHM O=c1nc(C2CCN(Cc3ncc[nH]3)CC2)[nH][n-]1 ZINC000288777902 183009106 /nfs/dbraw/zinc/00/91/06/183009106.db2.gz BMNFLPGGTODHAD-UHFFFAOYSA-N -1 3 248.290 0.201 20 0 BCADHM O=c1nc(CN2CCC(c3ncc[nH]3)CC2)[nH][n-]1 ZINC000271206286 183009723 /nfs/dbraw/zinc/00/97/23/183009723.db2.gz SFHLMNZTAZMROQ-UHFFFAOYSA-N -1 3 248.290 0.201 20 0 BCADHM CCCCn1c(=O)[n-]nc1S(C)(=O)=O ZINC000105525142 169034717 /nfs/dbraw/zinc/03/47/17/169034717.db2.gz DWCYJEFTLBRKKZ-UHFFFAOYSA-N -1 3 219.266 0.187 20 0 BCADHM CCCN(C)S(=O)(=O)[N-]Cc1nc(C)no1 ZINC000331200011 169084045 /nfs/dbraw/zinc/08/40/45/169084045.db2.gz MTDIIJMNTJAHQY-UHFFFAOYSA-N -1 3 248.308 0.054 20 0 BCADHM CCCN(CC)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000298606864 169119399 /nfs/dbraw/zinc/11/93/99/169119399.db2.gz ITFFPTXCNVTZGI-UHFFFAOYSA-N -1 3 239.275 0.358 20 0 BCADHM CCCN(CCC)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000042855912 169141734 /nfs/dbraw/zinc/14/17/34/169141734.db2.gz PATFVBLPFBWYJK-QMMMGPOBSA-N -1 3 241.291 0.233 20 0 BCADHM [O-]c1cccc(CN[C@@H]2COC[C@H]2O)c1Cl ZINC000295549350 183290998 /nfs/dbraw/zinc/29/09/98/183290998.db2.gz KDNVTKRBGLYSBX-PSASIEDQSA-N -1 3 243.690 0.895 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)N(C)CC(=O)[O-] ZINC000153090127 169194151 /nfs/dbraw/zinc/19/41/51/169194151.db2.gz LNEASSDOSBOYFM-SECBINFHSA-N -1 3 228.292 0.404 20 0 BCADHM CCCNC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000038027684 169221645 /nfs/dbraw/zinc/22/16/45/169221645.db2.gz VTRHERBTDUCHSA-SNVBAGLBSA-N -1 3 242.319 0.842 20 0 BCADHM CCC[C@@H](C)N(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000052518602 169362419 /nfs/dbraw/zinc/36/24/19/169362419.db2.gz JFTDTRXPWOUMTQ-SFYZADRCSA-N -1 3 241.291 0.232 20 0 BCADHM C[C@]1([N-]S(=O)(=O)c2c[nH]cn2)CCCOC1 ZINC000221244186 134322582 /nfs/dbraw/zinc/32/25/82/134322582.db2.gz LNWDXPXYYOKMAY-VIFPVBQESA-N -1 3 245.304 0.257 20 0 BCADHM CCC[C@@H](NC(=O)c1cccc([O-])c1)C(N)=O ZINC000336725056 169397854 /nfs/dbraw/zinc/39/78/54/169397854.db2.gz ZZOQPDCXMKBEPP-SNVBAGLBSA-N -1 3 236.271 0.776 20 0 BCADHM CC[C@H](CO)NC(=O)c1ccc(OC)cc1[O-] ZINC000035102813 383827095 /nfs/dbraw/zinc/82/70/95/383827095.db2.gz IWPAMXSBKVLBQH-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM CCOCC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000066100690 383848716 /nfs/dbraw/zinc/84/87/16/383848716.db2.gz OBBQLZIMBLMVLY-UHFFFAOYSA-N -1 3 247.320 0.043 20 0 BCADHM CC[C@H](CO)NC(=O)c1cccc(OC)c1[O-] ZINC000035102803 383829009 /nfs/dbraw/zinc/82/90/09/383829009.db2.gz XUVXQGUKBRUGID-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM O=C([O-])CN1CCN(CCc2ccccc2)CC1 ZINC000035126991 383830624 /nfs/dbraw/zinc/83/06/24/383830624.db2.gz MVXHWQQMOKIIGN-UHFFFAOYSA-N -1 3 248.326 0.931 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2ccc3n[n-]nc3c2)CO1 ZINC000566283981 383925071 /nfs/dbraw/zinc/92/50/71/383925071.db2.gz MWXMCZFJWSKZJQ-VXNVDRBHSA-N -1 3 246.270 0.865 20 0 BCADHM O=C(NC1(CCO)CC1)c1cccc2nn[n-]c21 ZINC000558322531 383925337 /nfs/dbraw/zinc/92/53/37/383925337.db2.gz BNQGSMLDFPSAAF-UHFFFAOYSA-N -1 3 246.270 0.603 20 0 BCADHM O=C(NC1(CCO)CC1)c1cccc2[n-]nnc21 ZINC000558322531 383925342 /nfs/dbraw/zinc/92/53/42/383925342.db2.gz BNQGSMLDFPSAAF-UHFFFAOYSA-N -1 3 246.270 0.603 20 0 BCADHM O=C(NC1(CCO)CC1)c1cccc2n[n-]nc21 ZINC000558322531 383925348 /nfs/dbraw/zinc/92/53/48/383925348.db2.gz BNQGSMLDFPSAAF-UHFFFAOYSA-N -1 3 246.270 0.603 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2ccc3n[n-]nc3c2)CO1 ZINC000566283976 383926602 /nfs/dbraw/zinc/92/66/02/383926602.db2.gz MWXMCZFJWSKZJQ-APPZFPTMSA-N -1 3 246.270 0.865 20 0 BCADHM O=C(CNCC(F)(F)F)Nc1ncccc1[O-] ZINC000068510790 383996732 /nfs/dbraw/zinc/99/67/32/383996732.db2.gz TULGGHUHMDUGEK-UHFFFAOYSA-N -1 3 249.192 0.878 20 0 BCADHM Cc1ccc([O-])c(CNCC(=O)NC2CC2)n1 ZINC000112716532 383944953 /nfs/dbraw/zinc/94/49/53/383944953.db2.gz KEYTYZUBOQDYFA-UHFFFAOYSA-N -1 3 235.287 0.464 20 0 BCADHM Cc1ccc([O-])c(CNCC(=O)NC(C)C)n1 ZINC000112716409 383945484 /nfs/dbraw/zinc/94/54/84/383945484.db2.gz JPNFXKMIBUHZBU-UHFFFAOYSA-N -1 3 237.303 0.710 20 0 BCADHM CCCc1cc(NC(=O)c2cnn[n-]2)n(C)n1 ZINC000089395367 383964327 /nfs/dbraw/zinc/96/43/27/383964327.db2.gz LEBLMONRULBIJN-UHFFFAOYSA-N -1 3 234.263 0.743 20 0 BCADHM CCCc1cc(NC(=O)c2c[n-]nn2)n(C)n1 ZINC000089395367 383964334 /nfs/dbraw/zinc/96/43/34/383964334.db2.gz LEBLMONRULBIJN-UHFFFAOYSA-N -1 3 234.263 0.743 20 0 BCADHM CCCc1cc(NC(=O)c2cn[n-]n2)n(C)n1 ZINC000089395367 383964336 /nfs/dbraw/zinc/96/43/36/383964336.db2.gz LEBLMONRULBIJN-UHFFFAOYSA-N -1 3 234.263 0.743 20 0 BCADHM CCS(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F ZINC000332483856 384019913 /nfs/dbraw/zinc/01/99/13/384019913.db2.gz PABILZCPAZADSX-YFKPBYRVSA-N -1 3 235.227 0.239 20 0 BCADHM Cn1cnc(CNC(=O)c2ccccc2[O-])n1 ZINC000091885360 384150028 /nfs/dbraw/zinc/15/00/28/384150028.db2.gz OYHUABWKVBIZDL-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM Cc1ccc(C(=O)NCc2ncn(C)n2)c([O-])c1 ZINC000091888648 384151994 /nfs/dbraw/zinc/15/19/94/384151994.db2.gz KYQDWPWKPNLMGL-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM C[C@@H](CO)[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000092125289 384164368 /nfs/dbraw/zinc/16/43/68/384164368.db2.gz AJHUOIWTJDJJGO-YUMQZZPRSA-N -1 3 239.271 0.845 20 0 BCADHM COCCS(=O)(=O)[N-]c1ccc[nH]c1=O ZINC000564687324 384166746 /nfs/dbraw/zinc/16/67/46/384166746.db2.gz QOVORLSEMJBVFC-UHFFFAOYSA-N -1 3 232.261 0.175 20 0 BCADHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)C1CC1 ZINC000080936152 384178263 /nfs/dbraw/zinc/17/82/63/384178263.db2.gz BOLVBLIWFCTGPU-VIFPVBQESA-N -1 3 249.332 0.656 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]C(C)C)nc1C ZINC000081567983 384187858 /nfs/dbraw/zinc/18/78/58/384187858.db2.gz YYXGNIHISHLJNM-UHFFFAOYSA-N -1 3 231.321 0.898 20 0 BCADHM C[C@H](NC(=O)c1ccccc1[O-])C(=O)N(C)C ZINC000042341687 384214928 /nfs/dbraw/zinc/21/49/28/384214928.db2.gz ZGWKNKYTNWHKFI-QMMMGPOBSA-N -1 3 236.271 0.599 20 0 BCADHM CC[C@H](C)[C@H](OC)C(=O)Nc1n[n-]c(OC)n1 ZINC000356592735 384267713 /nfs/dbraw/zinc/26/77/13/384267713.db2.gz HGUXBERVTVKVSH-BQBZGAKWSA-N -1 3 242.279 0.813 20 0 BCADHM CC[C@H](C)[C@H](OC)C(=O)Nc1nnc(OC)[n-]1 ZINC000356592735 384267720 /nfs/dbraw/zinc/26/77/20/384267720.db2.gz HGUXBERVTVKVSH-BQBZGAKWSA-N -1 3 242.279 0.813 20 0 BCADHM CC[C@H](C)[C@H](OC)C(=O)Nc1nc(OC)n[n-]1 ZINC000356592735 384267727 /nfs/dbraw/zinc/26/77/27/384267727.db2.gz HGUXBERVTVKVSH-BQBZGAKWSA-N -1 3 242.279 0.813 20 0 BCADHM CCCn1[n-]cc/c1=N\C(=O)Cn1ccnc1C ZINC000158873674 384280999 /nfs/dbraw/zinc/28/09/99/384280999.db2.gz RAYZJMIBQPIVPZ-RVDMUPIBSA-N -1 3 247.302 0.859 20 0 BCADHM CC[C@H](CCO)[N-]S(=O)(=O)c1ccccn1 ZINC000305724334 384335583 /nfs/dbraw/zinc/33/55/83/384335583.db2.gz XHAYWGRBCIHBLC-SECBINFHSA-N -1 3 244.316 0.521 20 0 BCADHM C[C@H](CO)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000159543078 384337993 /nfs/dbraw/zinc/33/79/93/384337993.db2.gz JTXRFVAVLQYRPT-SSDOTTSWSA-N -1 3 225.244 0.551 20 0 BCADHM Cc1ccc([O-])c(CN(C)CC(=O)NC2CC2)n1 ZINC000120323498 384346889 /nfs/dbraw/zinc/34/68/89/384346889.db2.gz HILNVPQAZVSRBX-UHFFFAOYSA-N -1 3 249.314 0.806 20 0 BCADHM Cc1ccc(C(=O)NC[C@@H](C)O)c([O-])c1 ZINC000035108186 384393575 /nfs/dbraw/zinc/39/35/75/384393575.db2.gz XGKQRGDVKIULKC-MRVPVSSYSA-N -1 3 209.245 0.811 20 0 BCADHM CC[C@@H](CO)NC(=O)c1ccccc1[O-] ZINC000035102488 384397227 /nfs/dbraw/zinc/39/72/27/384397227.db2.gz KXERVAKUDTXUMX-QMMMGPOBSA-N -1 3 209.245 0.893 20 0 BCADHM C[C@@H](CCO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000121464235 384418435 /nfs/dbraw/zinc/41/84/35/384418435.db2.gz MXOKHYZIIFOWEW-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM C[C@H](CCO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000121464391 384419110 /nfs/dbraw/zinc/41/91/10/384419110.db2.gz MXOKHYZIIFOWEW-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM CC[C@@H](C)C(=O)Nc1nnc(SCCO)[n-]1 ZINC000120705828 384376404 /nfs/dbraw/zinc/37/64/04/384376404.db2.gz OTXVXNVYUUQHKC-ZCFIWIBFSA-N -1 3 244.320 0.874 20 0 BCADHM CC[C@@H](C)C(=O)Nc1nc(SCCO)n[n-]1 ZINC000120705828 384376406 /nfs/dbraw/zinc/37/64/06/384376406.db2.gz OTXVXNVYUUQHKC-ZCFIWIBFSA-N -1 3 244.320 0.874 20 0 BCADHM CC[C@@H](C)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000120705828 384376409 /nfs/dbraw/zinc/37/64/09/384376409.db2.gz OTXVXNVYUUQHKC-ZCFIWIBFSA-N -1 3 244.320 0.874 20 0 BCADHM CN(CCCCO)C(=O)c1cccc2[n-]nnc21 ZINC000530521493 384429520 /nfs/dbraw/zinc/42/95/20/384429520.db2.gz OAXUCPQBVBZLAX-UHFFFAOYSA-N -1 3 248.286 0.802 20 0 BCADHM CN(CCCCO)C(=O)c1cccc2nn[n-]c21 ZINC000530521493 384429530 /nfs/dbraw/zinc/42/95/30/384429530.db2.gz OAXUCPQBVBZLAX-UHFFFAOYSA-N -1 3 248.286 0.802 20 0 BCADHM CN(CCCCO)C(=O)c1cccc2n[n-]nc21 ZINC000530521493 384429539 /nfs/dbraw/zinc/42/95/39/384429539.db2.gz OAXUCPQBVBZLAX-UHFFFAOYSA-N -1 3 248.286 0.802 20 0 BCADHM CCS(=O)(=O)[N-]C1(C(=O)OC)CCCC1 ZINC000102411014 384459981 /nfs/dbraw/zinc/45/99/81/384459981.db2.gz FOBYLABIPBSWDH-UHFFFAOYSA-N -1 3 235.305 0.412 20 0 BCADHM COC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000359792906 384508487 /nfs/dbraw/zinc/50/84/87/384508487.db2.gz AEVTUZFURQUFOB-LBPRGKRZSA-N -1 3 248.238 0.528 20 0 BCADHM CC(C)CCn1cc(C(=O)[N-]c2nc[nH]n2)nn1 ZINC000151215136 384545143 /nfs/dbraw/zinc/54/51/43/384545143.db2.gz NBTKLIQZJDHHQJ-UHFFFAOYSA-N -1 3 249.278 0.695 20 0 BCADHM Cc1ccc([O-])c(CN2CCNC(=O)[C@@H]2C)n1 ZINC000123417158 384557465 /nfs/dbraw/zinc/55/74/65/384557465.db2.gz YRYXFZZMEXZDJZ-VIFPVBQESA-N -1 3 235.287 0.416 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)C1CCOCC1 ZINC000124251801 384624871 /nfs/dbraw/zinc/62/48/71/384624871.db2.gz WCGTUPCDHSSACQ-SSDOTTSWSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)C1CCOCC1 ZINC000124251801 384624875 /nfs/dbraw/zinc/62/48/75/384624875.db2.gz WCGTUPCDHSSACQ-SSDOTTSWSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)C1CCOCC1 ZINC000124251801 384624881 /nfs/dbraw/zinc/62/48/81/384624881.db2.gz WCGTUPCDHSSACQ-SSDOTTSWSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)[C@@H]1CCCCO1 ZINC000272133352 384671701 /nfs/dbraw/zinc/67/17/01/384671701.db2.gz NBMCVYOUJROMFJ-CBAPKCEASA-N -1 3 224.264 0.492 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)[C@@H]1CCCCO1 ZINC000272133352 384671707 /nfs/dbraw/zinc/67/17/07/384671707.db2.gz NBMCVYOUJROMFJ-CBAPKCEASA-N -1 3 224.264 0.492 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CCCCO1 ZINC000272133352 384671711 /nfs/dbraw/zinc/67/17/11/384671711.db2.gz NBMCVYOUJROMFJ-CBAPKCEASA-N -1 3 224.264 0.492 20 0 BCADHM CCS(=O)(=O)[N-]c1cncc(F)c1 ZINC000082359240 384672034 /nfs/dbraw/zinc/67/20/34/384672034.db2.gz JKPMXPAOKPUSEE-UHFFFAOYSA-N -1 3 204.226 0.982 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC[C@H](CO)C1 ZINC000051884061 384697705 /nfs/dbraw/zinc/69/77/05/384697705.db2.gz ZVOONPUSOYAMTM-VIFPVBQESA-N -1 3 221.256 0.847 20 0 BCADHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)cn1 ZINC000334951401 384704255 /nfs/dbraw/zinc/70/42/55/384704255.db2.gz POUSUEYJMDUNMZ-DTWKUNHWSA-N -1 3 247.295 0.589 20 0 BCADHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)C(N)=O ZINC000294263687 384707423 /nfs/dbraw/zinc/70/74/23/384707423.db2.gz REODNXQKKSNWPB-SECBINFHSA-N -1 3 236.271 0.694 20 0 BCADHM CC[C@@H](C)OCC(=O)[N-]c1nncn1C ZINC000163096252 384740635 /nfs/dbraw/zinc/74/06/35/384740635.db2.gz QSMMURSKIIXLGW-SSDOTTSWSA-N -1 3 212.253 0.569 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)O ZINC000036111371 384749785 /nfs/dbraw/zinc/74/97/85/384749785.db2.gz OUTHMYBLFBUJLT-UHFFFAOYSA-N -1 3 248.304 0.341 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)C(C)C ZINC000559236710 384829060 /nfs/dbraw/zinc/82/90/60/384829060.db2.gz AIXQXBJAGUZPAF-UHFFFAOYSA-N -1 3 211.221 0.791 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)C(C)C ZINC000559236710 384829064 /nfs/dbraw/zinc/82/90/64/384829064.db2.gz AIXQXBJAGUZPAF-UHFFFAOYSA-N -1 3 211.221 0.791 20 0 BCADHM CCO[C@H](C)C(=O)Nc1[n-]cnc1C(=O)OC ZINC000559235171 384829875 /nfs/dbraw/zinc/82/98/75/384829875.db2.gz TWKRYONTJUFEDZ-ZCFIWIBFSA-N -1 3 241.247 0.560 20 0 BCADHM CCO[C@H](C)C(=O)Nc1nc[n-]c1C(=O)OC ZINC000559235171 384829883 /nfs/dbraw/zinc/82/98/83/384829883.db2.gz TWKRYONTJUFEDZ-ZCFIWIBFSA-N -1 3 241.247 0.560 20 0 BCADHM C[C@H](CO)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000126351493 384791643 /nfs/dbraw/zinc/79/16/43/384791643.db2.gz PMVUTECWSFWLHE-SSDOTTSWSA-N -1 3 234.259 0.411 20 0 BCADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1c[n-]nn1 ZINC000334714332 384880579 /nfs/dbraw/zinc/88/05/79/384880579.db2.gz NDZIBUFLPYZEQQ-WPRPVWTQSA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cnn[n-]1 ZINC000334714332 384880586 /nfs/dbraw/zinc/88/05/86/384880586.db2.gz NDZIBUFLPYZEQQ-WPRPVWTQSA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cn[n-]n1 ZINC000334714332 384880594 /nfs/dbraw/zinc/88/05/94/384880594.db2.gz NDZIBUFLPYZEQQ-WPRPVWTQSA-N -1 3 208.265 0.969 20 0 BCADHM CN(CCC(C)(C)C)CC(=O)NCC(=O)[O-] ZINC000647377097 384848078 /nfs/dbraw/zinc/84/80/78/384848078.db2.gz PAHGIASKLQGFTP-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1c[n-]nn1 ZINC000127535937 384910516 /nfs/dbraw/zinc/91/05/16/384910516.db2.gz CDCZZSXTSWBBAB-SECBINFHSA-N -1 3 240.307 0.578 20 0 BCADHM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1cnn[n-]1 ZINC000127535937 384910522 /nfs/dbraw/zinc/91/05/22/384910522.db2.gz CDCZZSXTSWBBAB-SECBINFHSA-N -1 3 240.307 0.578 20 0 BCADHM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1cn[n-]n1 ZINC000127535937 384910526 /nfs/dbraw/zinc/91/05/26/384910526.db2.gz CDCZZSXTSWBBAB-SECBINFHSA-N -1 3 240.307 0.578 20 0 BCADHM C[C@H]1CCCN(c2nc3nncc-3c(O)[n-]2)C1 ZINC000106461853 384916697 /nfs/dbraw/zinc/91/66/97/384916697.db2.gz FILVSMXLPXGPMQ-ZETCQYMHSA-N -1 3 233.275 0.883 20 0 BCADHM CCOC(=O)N[C@H]1CCCN([C@H](C)C(=O)[O-])C1 ZINC000497300415 384946055 /nfs/dbraw/zinc/94/60/55/384946055.db2.gz WBPKIQBKMQHBBP-BDAKNGLRSA-N -1 3 244.291 0.670 20 0 BCADHM CC=CC=CC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000491873343 384947768 /nfs/dbraw/zinc/94/77/68/384947768.db2.gz SOCHKYWUUUOGJL-LLUULLFCSA-N -1 3 235.287 0.747 20 0 BCADHM O=C(NCc1nc[nH]n1)c1cc(F)ccc1[O-] ZINC000147671593 384970916 /nfs/dbraw/zinc/97/09/16/384970916.db2.gz ACZQBVHYKQPDLP-UHFFFAOYSA-N -1 3 236.206 0.579 20 0 BCADHM O=C(NCc1nnc[nH]1)c1cc(F)ccc1[O-] ZINC000147671593 384970924 /nfs/dbraw/zinc/97/09/24/384970924.db2.gz ACZQBVHYKQPDLP-UHFFFAOYSA-N -1 3 236.206 0.579 20 0 BCADHM CCOC[C@H](O)CNC(=O)c1cccc([O-])c1 ZINC000310371100 385018038 /nfs/dbraw/zinc/01/80/38/385018038.db2.gz XHXKILLYZXNETP-LLVKDONJSA-N -1 3 239.271 0.519 20 0 BCADHM C[C@@H](O)CC[N-]S(=O)(=O)c1ccco1 ZINC000188706919 385083807 /nfs/dbraw/zinc/08/38/07/385083807.db2.gz CXGWQCJDQPUJAI-SSDOTTSWSA-N -1 3 219.262 0.329 20 0 BCADHM Cn1cnnc1[N-]C(=O)COCC1CC1 ZINC000157070832 385060151 /nfs/dbraw/zinc/06/01/51/385060151.db2.gz AUHAETMIRVYRNS-UHFFFAOYSA-N -1 3 210.237 0.180 20 0 BCADHM CN1C[C@H]2CCN(C(=O)c3cncc([O-])c3)[C@H]2C1 ZINC000646912037 385064366 /nfs/dbraw/zinc/06/43/66/385064366.db2.gz LUBCZELICLDUSD-SKDRFNHKSA-N -1 3 247.298 0.563 20 0 BCADHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000188712784 385084631 /nfs/dbraw/zinc/08/46/31/385084631.db2.gz ROGRXVFKBONXBM-BDAKNGLRSA-N -1 3 247.316 0.965 20 0 BCADHM CCCc1nc(=NC[C@@](C)(N)COC)s[n-]1 ZINC000336683548 385071207 /nfs/dbraw/zinc/07/12/07/385071207.db2.gz SILDGLNNFVGJAV-SNVBAGLBSA-N -1 3 244.364 0.688 20 0 BCADHM COC[C@H](C)C[N-]S(=O)(=O)c1ccco1 ZINC000188635689 385071428 /nfs/dbraw/zinc/07/14/28/385071428.db2.gz LTYSOUWAYKHUMU-MRVPVSSYSA-N -1 3 233.289 0.840 20 0 BCADHM CCOCC[N-]S(=O)(=O)c1ccco1 ZINC000188610810 385072244 /nfs/dbraw/zinc/07/22/44/385072244.db2.gz UGWCKESDQJJQCD-UHFFFAOYSA-N -1 3 219.262 0.594 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000060248665 385072934 /nfs/dbraw/zinc/07/29/34/385072934.db2.gz VNXVGHQAGKWGSV-QMMMGPOBSA-N -1 3 237.255 0.992 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)CCC1CCC1 ZINC000332072812 385074517 /nfs/dbraw/zinc/07/45/17/385074517.db2.gz WQAMYZCMXXFMGM-UHFFFAOYSA-N -1 3 235.305 0.269 20 0 BCADHM COc1ncncc1CNCc1ncccc1[O-] ZINC000647207918 385078362 /nfs/dbraw/zinc/07/83/62/385078362.db2.gz VEUXFBHKGVGZGV-UHFFFAOYSA-N -1 3 246.270 0.876 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CC[C@@H](CO)C1 ZINC000646946393 385081589 /nfs/dbraw/zinc/08/15/89/385081589.db2.gz UVOXLRBXPAOGMP-SECBINFHSA-N -1 3 236.271 0.171 20 0 BCADHM C[C@H](O)CN(C)C(=O)Cc1cncc([O-])c1 ZINC000646952465 385081912 /nfs/dbraw/zinc/08/19/12/385081912.db2.gz XMGTZFALAODKQQ-QMMMGPOBSA-N -1 3 224.260 0.169 20 0 BCADHM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188716416 385082145 /nfs/dbraw/zinc/08/21/45/385082145.db2.gz QXCXBPOTEQQEHV-YUMQZZPRSA-N -1 3 233.289 0.575 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)[C@H]1CCCO1 ZINC000088342129 385110723 /nfs/dbraw/zinc/11/07/23/385110723.db2.gz PAVLZKSKDJGECA-HTRCEHHLSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)[C@H]1CCCO1 ZINC000088342129 385110726 /nfs/dbraw/zinc/11/07/26/385110726.db2.gz PAVLZKSKDJGECA-HTRCEHHLSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CCCO1 ZINC000088342129 385110734 /nfs/dbraw/zinc/11/07/34/385110734.db2.gz PAVLZKSKDJGECA-HTRCEHHLSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H](C(=O)[O-])N1CCN(Cc2ncc[nH]2)CC1 ZINC000310547480 385111795 /nfs/dbraw/zinc/11/17/95/385111795.db2.gz VLWSYGONQSBXHO-SECBINFHSA-N -1 3 238.291 0.000 20 0 BCADHM CCCn1cc(C(=O)[N-]c2nc(C)n(C)n2)nn1 ZINC000646989139 385120655 /nfs/dbraw/zinc/12/06/55/385120655.db2.gz ZWLRSAIEGNTXGN-UHFFFAOYSA-N -1 3 249.278 0.377 20 0 BCADHM C[C@@H](CF)NC(=O)c1csc(=O)[n-]1 ZINC000306630236 385137288 /nfs/dbraw/zinc/13/72/88/385137288.db2.gz KPPHXRMLFASUFD-BYPYZUCNSA-N -1 3 204.226 0.524 20 0 BCADHM CCc1ccccc1CC(=O)[N-]OCC(N)=O ZINC000188756208 385086546 /nfs/dbraw/zinc/08/65/46/385086546.db2.gz KEMXKIZLXATNIS-UHFFFAOYSA-N -1 3 236.271 0.325 20 0 BCADHM CO[C@@H](C)CNC(=O)c1ccc(O)cc1[O-] ZINC000189630572 385172250 /nfs/dbraw/zinc/17/22/50/385172250.db2.gz XAVZBJCHCZINNS-ZETCQYMHSA-N -1 3 225.244 0.863 20 0 BCADHM C[C@H]1CSC[C@H]1NC(=O)c1c[n-]nn1 ZINC000306846390 385219826 /nfs/dbraw/zinc/21/98/26/385219826.db2.gz JYJDYGCEPFAKCW-CAHLUQPWSA-N -1 3 212.278 0.286 20 0 BCADHM C[C@H]1CSC[C@H]1NC(=O)c1cnn[n-]1 ZINC000306846390 385219828 /nfs/dbraw/zinc/21/98/28/385219828.db2.gz JYJDYGCEPFAKCW-CAHLUQPWSA-N -1 3 212.278 0.286 20 0 BCADHM C[C@H]1CSC[C@H]1NC(=O)c1cn[n-]n1 ZINC000306846390 385219833 /nfs/dbraw/zinc/21/98/33/385219833.db2.gz JYJDYGCEPFAKCW-CAHLUQPWSA-N -1 3 212.278 0.286 20 0 BCADHM CS[C@H](C)CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000130197690 385227193 /nfs/dbraw/zinc/22/71/93/385227193.db2.gz QAHDBRYHERONNW-SSDOTTSWSA-N -1 3 241.316 0.972 20 0 BCADHM C[C@@H](CN(C)C)NC(=O)c1cncc([O-])c1 ZINC000130523896 385258011 /nfs/dbraw/zinc/25/80/11/385258011.db2.gz QLDOKWLITJGVML-QMMMGPOBSA-N -1 3 223.276 0.467 20 0 BCADHM CN(C)c1nc(C(=O)N2CCC2)cc(=O)[n-]1 ZINC000407988709 385308630 /nfs/dbraw/zinc/30/86/30/385308630.db2.gz VPOLHPXZARHJNV-UHFFFAOYSA-N -1 3 222.248 0.094 20 0 BCADHM CSCCO[N-]C(=O)C1CC(=O)C1 ZINC000280140560 385263811 /nfs/dbraw/zinc/26/38/11/385263811.db2.gz XFUDXHWSYPHUJU-UHFFFAOYSA-N -1 3 203.263 0.376 20 0 BCADHM Cc1nc(C)c(S(=O)(=O)[N-]CCO)s1 ZINC000178551203 385388621 /nfs/dbraw/zinc/38/86/21/385388621.db2.gz DDUPAKVUAOKWDA-UHFFFAOYSA-N -1 3 236.318 0.031 20 0 BCADHM O=C(NCCCCn1ccnc1)c1c[n-]nn1 ZINC000108638644 385337728 /nfs/dbraw/zinc/33/77/28/385337728.db2.gz DXXVJFAFRKGEJR-UHFFFAOYSA-N -1 3 234.263 0.211 20 0 BCADHM O=C(NCCCCn1ccnc1)c1cnn[n-]1 ZINC000108638644 385337734 /nfs/dbraw/zinc/33/77/34/385337734.db2.gz DXXVJFAFRKGEJR-UHFFFAOYSA-N -1 3 234.263 0.211 20 0 BCADHM O=C(NCCCCn1ccnc1)c1cn[n-]n1 ZINC000108638644 385337742 /nfs/dbraw/zinc/33/77/42/385337742.db2.gz DXXVJFAFRKGEJR-UHFFFAOYSA-N -1 3 234.263 0.211 20 0 BCADHM C[C@]1(CNC(=O)c2c[n-]nn2)CCCC[C@@H]1O ZINC000178268604 385348828 /nfs/dbraw/zinc/34/88/28/385348828.db2.gz VPIAQRHQECBADM-GXSJLCMTSA-N -1 3 238.291 0.476 20 0 BCADHM C[C@]1(CNC(=O)c2cnn[n-]2)CCCC[C@@H]1O ZINC000178268604 385348833 /nfs/dbraw/zinc/34/88/33/385348833.db2.gz VPIAQRHQECBADM-GXSJLCMTSA-N -1 3 238.291 0.476 20 0 BCADHM C[C@]1(CNC(=O)c2cn[n-]n2)CCCC[C@@H]1O ZINC000178268604 385348835 /nfs/dbraw/zinc/34/88/35/385348835.db2.gz VPIAQRHQECBADM-GXSJLCMTSA-N -1 3 238.291 0.476 20 0 BCADHM O=C(N[C@H]1CCOC1)c1ccc(O)cc1[O-] ZINC000179289772 385372135 /nfs/dbraw/zinc/37/21/35/385372135.db2.gz CYABUYRXXGUVCS-ZETCQYMHSA-N -1 3 223.228 0.617 20 0 BCADHM O=C(/C=C\c1ccncc1)[N-]O[C@H]1CCOC1 ZINC000492426444 385376545 /nfs/dbraw/zinc/37/65/45/385376545.db2.gz NFUDNESZQPWNLI-BVBSBALXSA-N -1 3 234.255 0.932 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(F)nc1 ZINC000193335452 385392379 /nfs/dbraw/zinc/39/23/79/385392379.db2.gz TUSMNRFMUODCCN-ZETCQYMHSA-N -1 3 248.279 0.997 20 0 BCADHM O=S(=O)(C[C@H]1CCCO1)[N-]Cc1ccco1 ZINC000170653341 385437007 /nfs/dbraw/zinc/43/70/07/385437007.db2.gz XAPZTIJZUWLEIN-SNVBAGLBSA-N -1 3 245.300 0.878 20 0 BCADHM Cc1cc(C(=O)N[C@@]2(C)CCOC2)[n-]c(=O)n1 ZINC000156946194 385476251 /nfs/dbraw/zinc/47/62/51/385476251.db2.gz FPVXZAGQYBAOCV-NSHDSACASA-N -1 3 237.259 0.399 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@]1(C)CCCO1 ZINC000157219134 385492318 /nfs/dbraw/zinc/49/23/18/385492318.db2.gz CLBMKQLEAUYBDS-VIFPVBQESA-N -1 3 210.237 0.323 20 0 BCADHM CC[C@@H](NC(=O)c1cc(C)ccc1[O-])C(N)=O ZINC000291431797 385511060 /nfs/dbraw/zinc/51/10/60/385511060.db2.gz ALIFPMZTICXOKI-SECBINFHSA-N -1 3 236.271 0.694 20 0 BCADHM CC(C)(O)CNc1nc2nncc-2c(O)[n-]1 ZINC000309312022 385529096 /nfs/dbraw/zinc/52/90/96/385529096.db2.gz CCTAOJNBIYAALH-UHFFFAOYSA-N -1 3 223.236 0.241 20 0 BCADHM C[C@@H]1[C@@H](C)N(C(=O)c2cncc([O-])c2)CCN1C ZINC000340005077 385661630 /nfs/dbraw/zinc/66/16/30/385661630.db2.gz JAOQNXZHNRHGKC-NXEZZACHSA-N -1 3 249.314 0.952 20 0 BCADHM Cn1cc(C(=O)NC2(C)CCC2)c(=O)[n-]c1=O ZINC000270046261 385662177 /nfs/dbraw/zinc/66/21/77/385662177.db2.gz MBQNCSUEHPKZNW-UHFFFAOYSA-N -1 3 237.259 0.158 20 0 BCADHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1ccco1 ZINC000525836269 385694609 /nfs/dbraw/zinc/69/46/09/385694609.db2.gz PJLBANBWWPGJAO-XADBCAIWSA-N -1 3 245.300 0.885 20 0 BCADHM O=c1[n-]nc(CN[C@@H]2CCO[C@H]2C2CC2)s1 ZINC000309603065 385737422 /nfs/dbraw/zinc/73/74/22/385737422.db2.gz XDJOATJOXPIGPA-APPZFPTMSA-N -1 3 241.316 0.489 20 0 BCADHM CC(C)(CC(N)=O)[N-]C(=O)C(F)(F)C(F)F ZINC000230640606 385745367 /nfs/dbraw/zinc/74/53/67/385745367.db2.gz TUUJGAJPTBZTMD-UHFFFAOYSA-N -1 3 244.188 0.657 20 0 BCADHM C[C@H](CCO)NC(=O)c1ccccc1[O-] ZINC000122714454 385747422 /nfs/dbraw/zinc/74/74/22/385747422.db2.gz WXZZGUWOFWGLHG-MRVPVSSYSA-N -1 3 209.245 0.893 20 0 BCADHM CCON=C([O-])Nc1ccnc(OC)n1 ZINC000282634700 385774955 /nfs/dbraw/zinc/77/49/55/385774955.db2.gz KROHIZZSDQSCRJ-UHFFFAOYSA-N -1 3 212.209 0.558 20 0 BCADHM CCO[N-]C(=O)Nc1ccnc(OC)n1 ZINC000282634700 385774961 /nfs/dbraw/zinc/77/49/61/385774961.db2.gz KROHIZZSDQSCRJ-UHFFFAOYSA-N -1 3 212.209 0.558 20 0 BCADHM CCN(CC(=O)Nc1n[n-]c(OC)n1)C1CC1 ZINC000182998936 385727214 /nfs/dbraw/zinc/72/72/14/385727214.db2.gz PDFPNYBFUKVYEU-UHFFFAOYSA-N -1 3 239.279 0.236 20 0 BCADHM CCN(CC(=O)Nc1nnc(OC)[n-]1)C1CC1 ZINC000182998936 385727217 /nfs/dbraw/zinc/72/72/17/385727217.db2.gz PDFPNYBFUKVYEU-UHFFFAOYSA-N -1 3 239.279 0.236 20 0 BCADHM O=S(=O)([N-]C1CCOCC1)c1ccco1 ZINC000188617416 385808937 /nfs/dbraw/zinc/80/89/37/385808937.db2.gz BJNXTYJDPDMWAL-UHFFFAOYSA-N -1 3 231.273 0.737 20 0 BCADHM OC[C@@H]1CCC[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000413615575 385846294 /nfs/dbraw/zinc/84/62/94/385846294.db2.gz RPVOVDOXIVKEBV-RKDXNWHRSA-N -1 3 247.302 0.689 20 0 BCADHM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2c[n-]nn2)C1(C)C ZINC000271814775 385852894 /nfs/dbraw/zinc/85/28/94/385852894.db2.gz FQTNVZHHHUXOEE-BWVDBABLSA-N -1 3 238.291 0.594 20 0 BCADHM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cnn[n-]2)C1(C)C ZINC000271814775 385852896 /nfs/dbraw/zinc/85/28/96/385852896.db2.gz FQTNVZHHHUXOEE-BWVDBABLSA-N -1 3 238.291 0.594 20 0 BCADHM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cn[n-]n2)C1(C)C ZINC000271814775 385852898 /nfs/dbraw/zinc/85/28/98/385852898.db2.gz FQTNVZHHHUXOEE-BWVDBABLSA-N -1 3 238.291 0.594 20 0 BCADHM COCCO[N-]C(=O)/C=C\c1cncs1 ZINC000493861181 533147386 /nfs/dbraw/zinc/14/73/86/533147386.db2.gz XCMCJCAHZQGCJW-IHWYPQMZSA-N -1 3 228.273 0.851 20 0 BCADHM Cc1ncc(CNC(=O)c2cnc[nH]2)c(=O)[n-]1 ZINC000345118282 385986617 /nfs/dbraw/zinc/98/66/17/385986617.db2.gz FFLPLZNGCUKGKZ-UHFFFAOYSA-N -1 3 233.231 0.144 20 0 BCADHM O=C([N-]c1nncn1C1CC1)C(F)F ZINC000285997520 385987257 /nfs/dbraw/zinc/98/72/57/385987257.db2.gz YDCRSCAXWFVWMF-UHFFFAOYSA-N -1 3 202.164 0.817 20 0 BCADHM CC1(C(=O)[N-]C2=NCCS2)COC1 ZINC000272780015 385932250 /nfs/dbraw/zinc/93/22/50/385932250.db2.gz YMGLPNZLARXLKN-UHFFFAOYSA-N -1 3 200.263 0.242 20 0 BCADHM CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)[O-] ZINC000647768659 385942677 /nfs/dbraw/zinc/94/26/77/385942677.db2.gz OOSAMTQEQMKVFP-DTWKUNHWSA-N -1 3 230.308 0.552 20 0 BCADHM CC(F)(F)C(=O)[N-]C1(c2nc[nH]n2)CCC1 ZINC000295031198 385947703 /nfs/dbraw/zinc/94/77/03/385947703.db2.gz XOAHWOCEQFWJGL-UHFFFAOYSA-N -1 3 230.218 0.955 20 0 BCADHM CC[C@@H](OC)C(=O)NCc1cnc(C)[n-]c1=O ZINC000345095361 385994379 /nfs/dbraw/zinc/99/43/79/385994379.db2.gz MHKDOBWHCYRHHK-SECBINFHSA-N -1 3 239.275 0.532 20 0 BCADHM CO[C@H](C)C(=O)NCc1cnc(C)[n-]c1=O ZINC000345104359 385997304 /nfs/dbraw/zinc/99/73/04/385997304.db2.gz IJVQAXUEWKDPMJ-ZCFIWIBFSA-N -1 3 225.248 0.142 20 0 BCADHM CO[C@H](C)CN(C)c1nc2nncc-2c(O)[n-]1 ZINC000286226556 386011178 /nfs/dbraw/zinc/01/11/78/386011178.db2.gz CESPCKXNIBRKQP-ZCFIWIBFSA-N -1 3 237.263 0.530 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H](C)n2cncn2)n1 ZINC000273569589 386015587 /nfs/dbraw/zinc/01/55/87/386015587.db2.gz XPIIWSUKCDRJJC-QMMMGPOBSA-N -1 3 247.258 0.887 20 0 BCADHM Cc1ncc(CNC(=O)C2(C)CC2)c(=O)[n-]1 ZINC000345119567 386023514 /nfs/dbraw/zinc/02/35/14/386023514.db2.gz GERWXIUWTAJFKF-UHFFFAOYSA-N -1 3 221.260 0.907 20 0 BCADHM CO[C@H]1C[C@@H](N(C)c2nc3nncc-3c(O)[n-]2)C1 ZINC000286497081 386045543 /nfs/dbraw/zinc/04/55/43/386045543.db2.gz XWBPIJYTSRMEKS-KNVOCYPGSA-N -1 3 249.274 0.672 20 0 BCADHM CC/C=C/CNC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000295528844 386046364 /nfs/dbraw/zinc/04/63/64/386046364.db2.gz FWRJZWLGBVCZNV-SNAWJCMRSA-N -1 3 237.259 0.182 20 0 BCADHM Cc1cc(C(=O)NCc2cnc(C)[n-]c2=O)no1 ZINC000345101572 385996188 /nfs/dbraw/zinc/99/61/88/385996188.db2.gz XLCZXDGWQNMORW-UHFFFAOYSA-N -1 3 248.242 0.717 20 0 BCADHM COCCC(=O)NCc1cnc(C)[n-]c1=O ZINC000345104976 385996357 /nfs/dbraw/zinc/99/63/57/385996357.db2.gz WAIAUFCWBTWNDA-UHFFFAOYSA-N -1 3 225.248 0.143 20 0 BCADHM COC[C@@H](CO)NC(=O)c1cc(C)ccc1[O-] ZINC000234841163 386107171 /nfs/dbraw/zinc/10/71/71/386107171.db2.gz FIJBIZBLTBHFMV-SECBINFHSA-N -1 3 239.271 0.438 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2CCC(=O)NC2)n1 ZINC000112839986 386120431 /nfs/dbraw/zinc/12/04/31/386120431.db2.gz PBPQNFTWIVNBNR-VIFPVBQESA-N -1 3 235.287 0.464 20 0 BCADHM CCc1cc(=O)[n-]c(CN[C@@H](C)[C@@H](C)CO)n1 ZINC000295805577 386087969 /nfs/dbraw/zinc/08/79/69/386087969.db2.gz SWOVBPYOFWHPMJ-IUCAKERBSA-N -1 3 239.319 0.851 20 0 BCADHM CCOc1ccncc1S(=O)(=O)[N-]CCF ZINC000296260249 386156774 /nfs/dbraw/zinc/15/67/74/386156774.db2.gz ODAVKERDSNIJNC-UHFFFAOYSA-N -1 3 248.279 0.728 20 0 BCADHM CC(C)[C@H]1CN(C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000425487171 386167155 /nfs/dbraw/zinc/16/71/55/386167155.db2.gz VOJAXEYQVVWFRC-SECBINFHSA-N -1 3 239.323 0.282 20 0 BCADHM CSc1nnc(NC(=O)Cn2cccn2)[n-]1 ZINC000263855687 386182322 /nfs/dbraw/zinc/18/23/22/386182322.db2.gz FXCYIZWALHCAPG-UHFFFAOYSA-N -1 3 238.276 0.362 20 0 BCADHM CSc1n[n-]c(NC(=O)Cn2cccn2)n1 ZINC000263855687 386182331 /nfs/dbraw/zinc/18/23/31/386182331.db2.gz FXCYIZWALHCAPG-UHFFFAOYSA-N -1 3 238.276 0.362 20 0 BCADHM CSc1nc(NC(=O)Cn2cccn2)n[n-]1 ZINC000263855687 386182339 /nfs/dbraw/zinc/18/23/39/386182339.db2.gz FXCYIZWALHCAPG-UHFFFAOYSA-N -1 3 238.276 0.362 20 0 BCADHM CSc1nnc(NC(=O)COCC2CC2)[n-]1 ZINC000263855813 386182891 /nfs/dbraw/zinc/18/28/91/386182891.db2.gz GEMULTBSHFMHTD-UHFFFAOYSA-N -1 3 242.304 0.892 20 0 BCADHM CSc1n[n-]c(NC(=O)COCC2CC2)n1 ZINC000263855813 386182898 /nfs/dbraw/zinc/18/28/98/386182898.db2.gz GEMULTBSHFMHTD-UHFFFAOYSA-N -1 3 242.304 0.892 20 0 BCADHM CSc1nc(NC(=O)COCC2CC2)n[n-]1 ZINC000263855813 386182900 /nfs/dbraw/zinc/18/29/00/386182900.db2.gz GEMULTBSHFMHTD-UHFFFAOYSA-N -1 3 242.304 0.892 20 0 BCADHM CSc1nnc(NC(=O)[C@@H]2CCOC2)[n-]1 ZINC000263853040 386183683 /nfs/dbraw/zinc/18/36/83/386183683.db2.gz DUXQQRBRFNDRKZ-RXMQYKEDSA-N -1 3 228.277 0.502 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H]2CCOC2)n1 ZINC000263853040 386183688 /nfs/dbraw/zinc/18/36/88/386183688.db2.gz DUXQQRBRFNDRKZ-RXMQYKEDSA-N -1 3 228.277 0.502 20 0 BCADHM CSc1nc(NC(=O)[C@@H]2CCOC2)n[n-]1 ZINC000263853040 386183691 /nfs/dbraw/zinc/18/36/91/386183691.db2.gz DUXQQRBRFNDRKZ-RXMQYKEDSA-N -1 3 228.277 0.502 20 0 BCADHM COc1nccc(C[N-]c2nc(C)no2)n1 ZINC000296066611 386132982 /nfs/dbraw/zinc/13/29/82/386132982.db2.gz RWYQFDSAMUSVGK-UHFFFAOYSA-N -1 3 221.220 0.789 20 0 BCADHM CCC[C@@H](O)CNc1nc2nncc-2c(O)[n-]1 ZINC000274703399 386140429 /nfs/dbraw/zinc/14/04/29/386140429.db2.gz VIYULAKJTYCBDH-ZCFIWIBFSA-N -1 3 237.263 0.631 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000275511761 386217599 /nfs/dbraw/zinc/21/75/99/386217599.db2.gz SZIAZNZRGHTJRQ-LURJTMIESA-N -1 3 233.245 0.119 20 0 BCADHM COc1nc(NC(=O)[C@H](CC(C)C)OC)n[n-]1 ZINC000416186355 386235456 /nfs/dbraw/zinc/23/54/56/386235456.db2.gz BEMYOZPAGUWHTJ-ZETCQYMHSA-N -1 3 242.279 0.813 20 0 BCADHM COc1nnc(NC(=O)[C@H](CC(C)C)OC)[n-]1 ZINC000416186355 386235461 /nfs/dbraw/zinc/23/54/61/386235461.db2.gz BEMYOZPAGUWHTJ-ZETCQYMHSA-N -1 3 242.279 0.813 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](CC(C)C)OC)n1 ZINC000416186355 386235465 /nfs/dbraw/zinc/23/54/65/386235465.db2.gz BEMYOZPAGUWHTJ-ZETCQYMHSA-N -1 3 242.279 0.813 20 0 BCADHM O=C(CCn1ccnn1)[N-]O[C@@H]1CCCCO1 ZINC000264633529 386257560 /nfs/dbraw/zinc/25/75/60/386257560.db2.gz BXVXRRBAPQUMLV-SNVBAGLBSA-N -1 3 240.263 0.243 20 0 BCADHM CCO[N-]C(=O)CCc1nc(N(C)C)no1 ZINC000275221729 386193886 /nfs/dbraw/zinc/19/38/86/386193886.db2.gz CIWWMLUEAUHPRM-UHFFFAOYSA-N -1 3 228.252 0.136 20 0 BCADHM O=C(CNC(=O)c1cccc([O-])c1)NC1CCC1 ZINC000275221386 386194700 /nfs/dbraw/zinc/19/47/00/386194700.db2.gz DFXIQQVSGBYOPE-UHFFFAOYSA-N -1 3 248.282 0.791 20 0 BCADHM C[C@@H](CO)[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000131249936 386200173 /nfs/dbraw/zinc/20/01/73/386200173.db2.gz GABLECAUGOYIFM-JGVFFNPUSA-N -1 3 248.286 0.705 20 0 BCADHM C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)[O-] ZINC000336743142 386284113 /nfs/dbraw/zinc/28/41/13/386284113.db2.gz OSARYLWCLWNQRL-BDAKNGLRSA-N -1 3 228.292 0.308 20 0 BCADHM CCC[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000416356304 386287813 /nfs/dbraw/zinc/28/78/13/386287813.db2.gz BDGNDHLYVAPZAR-UHFFFAOYSA-N -1 3 245.304 0.354 20 0 BCADHM CCN(CC)c1nc([O-])c(CC(=O)NC)s1 ZINC000298210456 386308480 /nfs/dbraw/zinc/30/84/80/386308480.db2.gz UNUAHGXOSQPPJH-SSDOTTSWSA-N -1 3 243.332 0.462 20 0 BCADHM CN(CC(=O)NCC(=O)[O-])CC1CCCCC1 ZINC000180480761 386269358 /nfs/dbraw/zinc/26/93/58/386269358.db2.gz CMYGCVGGMBTEHD-UHFFFAOYSA-N -1 3 242.319 0.699 20 0 BCADHM CCCCC(=O)Nc1[n-]nnc1C(=O)NC ZINC000297729635 386276734 /nfs/dbraw/zinc/27/67/34/386276734.db2.gz MCPKSRFAJLSIMC-UHFFFAOYSA-N -1 3 225.252 0.293 20 0 BCADHM CCCCC(=O)Nc1nn[n-]c1C(=O)NC ZINC000297729635 386276736 /nfs/dbraw/zinc/27/67/36/386276736.db2.gz MCPKSRFAJLSIMC-UHFFFAOYSA-N -1 3 225.252 0.293 20 0 BCADHM CCCCC(=O)Nc1n[n-]nc1C(=O)NC ZINC000297729635 386276738 /nfs/dbraw/zinc/27/67/38/386276738.db2.gz MCPKSRFAJLSIMC-UHFFFAOYSA-N -1 3 225.252 0.293 20 0 BCADHM CC(C)CCCC(=O)Nc1[n-]nnc1C(N)=O ZINC000297718719 386276897 /nfs/dbraw/zinc/27/68/97/386276897.db2.gz JNVSYMXBFJZAGO-UHFFFAOYSA-N -1 3 239.279 0.668 20 0 BCADHM CC(C)CCCC(=O)Nc1nn[n-]c1C(N)=O ZINC000297718719 386276899 /nfs/dbraw/zinc/27/68/99/386276899.db2.gz JNVSYMXBFJZAGO-UHFFFAOYSA-N -1 3 239.279 0.668 20 0 BCADHM CC(C)CCCC(=O)Nc1n[n-]nc1C(N)=O ZINC000297718719 386276900 /nfs/dbraw/zinc/27/69/00/386276900.db2.gz JNVSYMXBFJZAGO-UHFFFAOYSA-N -1 3 239.279 0.668 20 0 BCADHM CC(C)C[C@@H](C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297797916 386277819 /nfs/dbraw/zinc/27/78/19/386277819.db2.gz ONRGATZXCKLMCN-ZCFIWIBFSA-N -1 3 239.279 0.524 20 0 BCADHM CC(C)C[C@@H](C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297797916 386277821 /nfs/dbraw/zinc/27/78/21/386277821.db2.gz ONRGATZXCKLMCN-ZCFIWIBFSA-N -1 3 239.279 0.524 20 0 BCADHM CC(C)C[C@@H](C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297797916 386277828 /nfs/dbraw/zinc/27/78/28/386277828.db2.gz ONRGATZXCKLMCN-ZCFIWIBFSA-N -1 3 239.279 0.524 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C1=COCCC1 ZINC000290455369 386437492 /nfs/dbraw/zinc/43/74/92/386437492.db2.gz CCFWVIUPXYYZIT-UHFFFAOYSA-N -1 3 243.259 0.682 20 0 BCADHM Cc1cc(C(=O)N2CC[C@@H](C(N)=O)C2)ccc1[O-] ZINC000227026845 386449821 /nfs/dbraw/zinc/44/98/21/386449821.db2.gz ZAKFPNULYRDDQM-SNVBAGLBSA-N -1 3 248.282 0.648 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccon1 ZINC000347403483 386388163 /nfs/dbraw/zinc/38/81/63/386388163.db2.gz VWSFPMRGGLDKBP-LURJTMIESA-N -1 3 230.231 0.888 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)[C@H](O)c1ccccc1 ZINC000290100727 386393025 /nfs/dbraw/zinc/39/30/25/386393025.db2.gz KZRPIHZOHWFZSO-KWQFWETISA-N -1 3 246.270 0.657 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)[C@H](O)c1ccccc1 ZINC000290100727 386393026 /nfs/dbraw/zinc/39/30/26/386393026.db2.gz KZRPIHZOHWFZSO-KWQFWETISA-N -1 3 246.270 0.657 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H](O)c1ccccc1 ZINC000290100727 386393030 /nfs/dbraw/zinc/39/30/30/386393030.db2.gz KZRPIHZOHWFZSO-KWQFWETISA-N -1 3 246.270 0.657 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)[C@@H](O)c1ccccc1 ZINC000290100730 386393444 /nfs/dbraw/zinc/39/34/44/386393444.db2.gz KZRPIHZOHWFZSO-LDYMZIIASA-N -1 3 246.270 0.657 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)[C@@H](O)c1ccccc1 ZINC000290100730 386393449 /nfs/dbraw/zinc/39/34/49/386393449.db2.gz KZRPIHZOHWFZSO-LDYMZIIASA-N -1 3 246.270 0.657 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H](O)c1ccccc1 ZINC000290100730 386393450 /nfs/dbraw/zinc/39/34/50/386393450.db2.gz KZRPIHZOHWFZSO-LDYMZIIASA-N -1 3 246.270 0.657 20 0 BCADHM CCC(=O)CNC(=O)c1cccc2nn[n-]c21 ZINC000527362396 386427976 /nfs/dbraw/zinc/42/79/76/386427976.db2.gz XTLZKQVZGRWQRD-UHFFFAOYSA-N -1 3 232.243 0.667 20 0 BCADHM CCC(=O)CNC(=O)c1cccc2[n-]nnc21 ZINC000527362396 386427983 /nfs/dbraw/zinc/42/79/83/386427983.db2.gz XTLZKQVZGRWQRD-UHFFFAOYSA-N -1 3 232.243 0.667 20 0 BCADHM CCC(=O)CNC(=O)c1cccc2n[n-]nc21 ZINC000527362396 386427988 /nfs/dbraw/zinc/42/79/88/386427988.db2.gz XTLZKQVZGRWQRD-UHFFFAOYSA-N -1 3 232.243 0.667 20 0 BCADHM Cc1nc(C)c(CC(=O)N[C@@H]2C[C@H]2C)c(=O)[n-]1 ZINC000340641478 386482158 /nfs/dbraw/zinc/48/21/58/386482158.db2.gz FXXWZDZLZJZOCC-LHLIQPBNSA-N -1 3 235.287 0.866 20 0 BCADHM CSc1nnc(NC(=O)c2ccnnc2)[n-]1 ZINC000339606767 386482383 /nfs/dbraw/zinc/48/23/83/386482383.db2.gz GQRQWHSHTWPXMP-UHFFFAOYSA-N -1 3 236.260 0.569 20 0 BCADHM CSc1n[n-]c(NC(=O)c2ccnnc2)n1 ZINC000339606767 386482389 /nfs/dbraw/zinc/48/23/89/386482389.db2.gz GQRQWHSHTWPXMP-UHFFFAOYSA-N -1 3 236.260 0.569 20 0 BCADHM CSc1nc(NC(=O)c2ccnnc2)n[n-]1 ZINC000339606767 386482393 /nfs/dbraw/zinc/48/23/93/386482393.db2.gz GQRQWHSHTWPXMP-UHFFFAOYSA-N -1 3 236.260 0.569 20 0 BCADHM O=S(=O)([N-]CCCCO)c1cscn1 ZINC000519638746 386513521 /nfs/dbraw/zinc/51/35/21/386513521.db2.gz DLLBZQAGFTTWLE-UHFFFAOYSA-N -1 3 236.318 0.194 20 0 BCADHM Cn1[n-]c(CN2CC[C@H](CC3CC3)C2)nc1=O ZINC000339685475 386518571 /nfs/dbraw/zinc/51/85/71/386518571.db2.gz BXEMVGXAGLJJLF-SNVBAGLBSA-N -1 3 236.319 0.730 20 0 BCADHM CC(C)[C@H](C)N(C)C(=O)C[C@H]1NC(=O)[N-]C1=O ZINC000343244946 386577651 /nfs/dbraw/zinc/57/76/51/386577651.db2.gz RQJWXCKGQJIXOP-JGVFFNPUSA-N -1 3 241.291 0.087 20 0 BCADHM O=S(=O)([N-][C@H]1CCC[C@@H](F)C1)c1c[nH]cn1 ZINC000335417015 386584021 /nfs/dbraw/zinc/58/40/21/386584021.db2.gz ILXJXXWHPGZVAH-SFYZADRCSA-N -1 3 247.295 0.969 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]OC/C=C/Cl ZINC000291886567 386595469 /nfs/dbraw/zinc/59/54/69/386595469.db2.gz QWVBEXMVHCTIGO-SDLBARTOSA-N -1 3 235.667 0.986 20 0 BCADHM C[C@@H](CNC(=O)C(=O)[O-])N1CCC[C@@H](C)C1 ZINC000336755674 386542713 /nfs/dbraw/zinc/54/27/13/386542713.db2.gz XVICGZDJFMOADG-BDAKNGLRSA-N -1 3 228.292 0.308 20 0 BCADHM NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000408409421 386543232 /nfs/dbraw/zinc/54/32/32/386543232.db2.gz XWTJSOZLKKUQTN-UHFFFAOYSA-N -1 3 249.270 0.229 20 0 BCADHM Cn1cc(CCC(=O)[N-]OCC(C)(C)O)cn1 ZINC000278545502 386544678 /nfs/dbraw/zinc/54/46/78/386544678.db2.gz GIOBMZCFQVQWOP-UHFFFAOYSA-N -1 3 241.291 0.171 20 0 BCADHM CCc1cc(C(=O)N[C@@H](C)C(N)=O)ccc1[O-] ZINC000291506070 386553006 /nfs/dbraw/zinc/55/30/06/386553006.db2.gz WKBBOFYNOIXSEB-ZETCQYMHSA-N -1 3 236.271 0.558 20 0 BCADHM O=C(N[C@@H]1CC[C@H]1O)c1c([O-])cccc1O ZINC000425318626 386559822 /nfs/dbraw/zinc/55/98/22/386559822.db2.gz BDLRGWORWIHAIZ-RNFRBKRXSA-N -1 3 223.228 0.351 20 0 BCADHM COCCNC(=O)/C=C/c1cncc([O-])c1 ZINC000179379247 386636874 /nfs/dbraw/zinc/63/68/74/386636874.db2.gz AUVGUPBKCQRQTH-NSCUHMNNSA-N -1 3 222.244 0.563 20 0 BCADHM CN1CCN(C(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000179379194 386637878 /nfs/dbraw/zinc/63/78/78/386637878.db2.gz VMOROVQQSNAQQC-NSCUHMNNSA-N -1 3 247.298 0.574 20 0 BCADHM CCCCC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000645420352 386601481 /nfs/dbraw/zinc/60/14/81/386601481.db2.gz LXVCDWIYLSFTOZ-UHFFFAOYSA-N -1 3 231.321 0.889 20 0 BCADHM CC[C@H](CNC(=O)c1cc(C)nc(=O)[n-]1)OC ZINC000292378998 386659143 /nfs/dbraw/zinc/65/91/43/386659143.db2.gz YIABSGPWJSMPMM-MRVPVSSYSA-N -1 3 239.275 0.645 20 0 BCADHM Cc1cc(C(=O)N2CC(CO)C2)ccc1[O-] ZINC000229020706 386663635 /nfs/dbraw/zinc/66/36/35/386663635.db2.gz GNMFMKXBRHSZRE-UHFFFAOYSA-N -1 3 221.256 0.765 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3ccccn3)C[C@@H]12 ZINC000329465592 386678058 /nfs/dbraw/zinc/67/80/58/386678058.db2.gz VPCLPHFJMOWILV-JTQLQIEISA-N -1 3 246.270 0.658 20 0 BCADHM Cc1cc(C(=O)NC2CCC2)[n-]c(=O)n1 ZINC000268841776 386703820 /nfs/dbraw/zinc/70/38/20/386703820.db2.gz MPPDTXXZGGEEPO-UHFFFAOYSA-N -1 3 207.233 0.773 20 0 BCADHM CCc1cncc(C(=O)[N-]N2CCCNC2=O)c1 ZINC000279801706 386739963 /nfs/dbraw/zinc/73/99/63/386739963.db2.gz SSKDNIUAUWMJOT-UHFFFAOYSA-N -1 3 248.286 0.704 20 0 BCADHM COC(=O)[C@H](CF)NC(=O)c1cccc([O-])c1 ZINC000292774230 386724760 /nfs/dbraw/zinc/72/47/60/386724760.db2.gz XQQYBBFUALAWCP-VIFPVBQESA-N -1 3 241.218 0.633 20 0 BCADHM CO[C@@H]1CCC[C@@H]1CN=c1ncnc2[nH][n-]cc1-2 ZINC000340762788 386768515 /nfs/dbraw/zinc/76/85/15/386768515.db2.gz ZQLOWLPKVSBFSO-PSASIEDQSA-N -1 3 247.302 0.953 20 0 BCADHM C[C@@H](CN(C)C)[N-]S(=O)(=O)c1ccccn1 ZINC000344887054 386790280 /nfs/dbraw/zinc/79/02/80/386790280.db2.gz PWXGXYXBTUZWIO-VIFPVBQESA-N -1 3 243.332 0.310 20 0 BCADHM O=S(=O)(C[C@@H]1CCCCO1)c1ncn[n-]1 ZINC000408444760 386785529 /nfs/dbraw/zinc/78/55/29/386785529.db2.gz VZSUVAGEMMFLBL-ZETCQYMHSA-N -1 3 231.277 0.148 20 0 BCADHM O=S(=O)(C[C@@H]1CCCCO1)c1nnc[n-]1 ZINC000408444760 386785532 /nfs/dbraw/zinc/78/55/32/386785532.db2.gz VZSUVAGEMMFLBL-ZETCQYMHSA-N -1 3 231.277 0.148 20 0 BCADHM O=C(NCCCO)c1ccc2n[n-]nc2c1 ZINC000035201190 386814534 /nfs/dbraw/zinc/81/45/34/386814534.db2.gz PRVDOKPJPVIWFJ-UHFFFAOYSA-N -1 3 220.232 0.070 20 0 BCADHM O=S(=O)([N-][C@H]1[C@@H]2COC[C@@H]21)c1ccccn1 ZINC000330157640 386833729 /nfs/dbraw/zinc/83/37/29/386833729.db2.gz PTSGVYKWSRRBPX-MBTKJCJQSA-N -1 3 240.284 0.005 20 0 BCADHM O=C(Nc1nnn[n-]1)c1ccc2cncn2c1 ZINC000339953873 386838203 /nfs/dbraw/zinc/83/82/03/386838203.db2.gz CSTRHBUVDMWKGB-UHFFFAOYSA-N -1 3 229.203 0.100 20 0 BCADHM O=C(Nc1nn[n-]n1)c1ccc2cncn2c1 ZINC000339953873 386838210 /nfs/dbraw/zinc/83/82/10/386838210.db2.gz CSTRHBUVDMWKGB-UHFFFAOYSA-N -1 3 229.203 0.100 20 0 BCADHM O=C(NC[C@@H]1CCCO1)c1cc(=O)[n-]cn1 ZINC000585356348 386845747 /nfs/dbraw/zinc/84/57/47/386845747.db2.gz HVGCRKRBUHLXPU-ZETCQYMHSA-N -1 3 223.232 0.091 20 0 BCADHM C[C@@H]1[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)CCN1C ZINC000341134791 386846160 /nfs/dbraw/zinc/84/61/60/386846160.db2.gz YETQOLBDGGOQJT-HTQZYQBOSA-N -1 3 225.296 0.035 20 0 BCADHM O=C(N[C@H]1CC[S@@](=O)C1)c1ccccc1[O-] ZINC000335742177 386859697 /nfs/dbraw/zinc/85/96/97/386859697.db2.gz XJWPYXGDGKZFJP-ZKANADHPSA-N -1 3 239.296 0.643 20 0 BCADHM Cc1ccc([O-])c(CN2CC(O)(C(F)F)C2)n1 ZINC000425350766 386871185 /nfs/dbraw/zinc/87/11/85/386871185.db2.gz SPPPGTAAMJDBIW-UHFFFAOYSA-N -1 3 244.241 0.907 20 0 BCADHM CCOCCS(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000357955806 386871862 /nfs/dbraw/zinc/87/18/62/386871862.db2.gz STIPYIHBERMVGX-UHFFFAOYSA-N -1 3 245.304 0.492 20 0 BCADHM CCOCCS(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000357955806 386871865 /nfs/dbraw/zinc/87/18/65/386871865.db2.gz STIPYIHBERMVGX-UHFFFAOYSA-N -1 3 245.304 0.492 20 0 BCADHM Cc1occc1CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000334836349 386878277 /nfs/dbraw/zinc/87/82/77/386878277.db2.gz MVBOGXAFKGLYAQ-SNVBAGLBSA-N -1 3 249.270 0.324 20 0 BCADHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000331682587 386880989 /nfs/dbraw/zinc/88/09/89/386880989.db2.gz QHMUXBZQYWMIGC-QMMMGPOBSA-N -1 3 243.332 0.887 20 0 BCADHM CN(CCF)C(=O)c1ccc2n[n-]nc2c1 ZINC000293828567 386886997 /nfs/dbraw/zinc/88/69/97/386886997.db2.gz BMHPMXYRGCQMRX-UHFFFAOYSA-N -1 3 222.223 0.999 20 0 BCADHM O=S(=O)([N-]CCCCCO)c1ccco1 ZINC000341499493 386914999 /nfs/dbraw/zinc/91/49/99/386914999.db2.gz RKBDPKOJHYFVKA-UHFFFAOYSA-N -1 3 233.289 0.721 20 0 BCADHM CCO[C@H]1C[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000331774434 386899510 /nfs/dbraw/zinc/89/95/10/386899510.db2.gz MIZQFGZZXNXMPB-KNVOCYPGSA-N -1 3 210.237 0.102 20 0 BCADHM CCO[C@H]1C[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000331774434 386899516 /nfs/dbraw/zinc/89/95/16/386899516.db2.gz MIZQFGZZXNXMPB-KNVOCYPGSA-N -1 3 210.237 0.102 20 0 BCADHM CCO[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000331774434 386899521 /nfs/dbraw/zinc/89/95/21/386899521.db2.gz MIZQFGZZXNXMPB-KNVOCYPGSA-N -1 3 210.237 0.102 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CCCCO)o1 ZINC000330832675 386902410 /nfs/dbraw/zinc/90/24/10/386902410.db2.gz VFBWIVFIGAPPQU-UHFFFAOYSA-N -1 3 233.289 0.639 20 0 BCADHM O=S(=O)(C[C@@H]1CCCO1)[N-]Cc1ccno1 ZINC000330843590 386911058 /nfs/dbraw/zinc/91/10/58/386911058.db2.gz KQOGBJPFQGDWPE-VIFPVBQESA-N -1 3 246.288 0.273 20 0 BCADHM CO[C@H]1CCC[C@H]1CNC(=O)c1c[n-]nn1 ZINC000341601361 386931910 /nfs/dbraw/zinc/93/19/10/386931910.db2.gz MDFNFXHARSSCJH-CBAPKCEASA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@H]1CCC[C@H]1CNC(=O)c1cnn[n-]1 ZINC000341601361 386931912 /nfs/dbraw/zinc/93/19/12/386931912.db2.gz MDFNFXHARSSCJH-CBAPKCEASA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@H]1CCC[C@H]1CNC(=O)c1cn[n-]n1 ZINC000341601361 386931917 /nfs/dbraw/zinc/93/19/17/386931917.db2.gz MDFNFXHARSSCJH-CBAPKCEASA-N -1 3 224.264 0.350 20 0 BCADHM Cc1ccc([O-])c(CN2CCCNC(=O)[C@H]2C)n1 ZINC000332240878 386967815 /nfs/dbraw/zinc/96/78/15/386967815.db2.gz AFTHCSXZYANMPK-SNVBAGLBSA-N -1 3 249.314 0.806 20 0 BCADHM O=c1[n-]nc(CN2CC(O)(C3CC3)C2)s1 ZINC000368499862 386981369 /nfs/dbraw/zinc/98/13/69/386981369.db2.gz UAOWWSPDOMUACZ-UHFFFAOYSA-N -1 3 227.289 0.200 20 0 BCADHM COC1(C(=O)NCc2ncccc2[O-])CCC1 ZINC000332469048 386981901 /nfs/dbraw/zinc/98/19/01/386981901.db2.gz LQDMAHCRLDMNHA-UHFFFAOYSA-N -1 3 236.271 0.973 20 0 BCADHM CCCn1c(=O)[n-]nc1S[C@H]1CCNC1=O ZINC000332640766 386995159 /nfs/dbraw/zinc/99/51/59/386995159.db2.gz KGRUYIAMBHKTLJ-LURJTMIESA-N -1 3 242.304 0.374 20 0 BCADHM [O-]c1cc(F)cc(CN2C[C@H](O)C[C@@H]2CO)c1 ZINC000368641655 386997612 /nfs/dbraw/zinc/99/76/12/386997612.db2.gz HRKFXIUUTOJWNO-ZYHUDNBSSA-N -1 3 241.262 0.459 20 0 BCADHM C[C@H](Cn1cccn1)N=c1ncnc2[nH][n-]cc1-2 ZINC000358740238 387005963 /nfs/dbraw/zinc/00/59/63/387005963.db2.gz TUWMKNRBKQPXGB-MRVPVSSYSA-N -1 3 243.274 0.424 20 0 BCADHM CCN(C)C(=O)[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000353057908 387034971 /nfs/dbraw/zinc/03/49/71/387034971.db2.gz XEXIFZRNMBESER-ZETCQYMHSA-N -1 3 248.290 0.005 20 0 BCADHM O=S(=O)([N-]CCN1CCCC1)c1ccco1 ZINC000353064217 387035230 /nfs/dbraw/zinc/03/52/30/387035230.db2.gz FCJQWERHUZXLLM-UHFFFAOYSA-N -1 3 244.316 0.654 20 0 BCADHM C[C@@H](O)C[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000334060744 387053927 /nfs/dbraw/zinc/05/39/27/387053927.db2.gz YIECAJUKAWQNGL-NTSWFWBYSA-N -1 3 230.289 0.738 20 0 BCADHM COC[C@H](C)CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000359108073 387056362 /nfs/dbraw/zinc/05/63/62/387056362.db2.gz YGNQBTODUXHMHJ-SSDOTTSWSA-N -1 3 239.275 0.503 20 0 BCADHM O=C(c1ccccc1[O-])N1C[C@@H]2COC[C@H](C1)O2 ZINC000333021430 387012891 /nfs/dbraw/zinc/01/28/91/387012891.db2.gz FBJFFEDZZDCFFG-AOOOYVTPSA-N -1 3 249.266 0.632 20 0 BCADHM CCN(C(=O)c1csc(=O)[n-]1)[C@H](C)CO ZINC000358828351 387019033 /nfs/dbraw/zinc/01/90/33/387019033.db2.gz HYWMFUIUIDZTFJ-ZCFIWIBFSA-N -1 3 230.289 0.692 20 0 BCADHM COC(C)(C)C[N-]S(=O)(=O)c1ccco1 ZINC000188728420 387088625 /nfs/dbraw/zinc/08/86/25/387088625.db2.gz OEMNUUCZIFKTGL-UHFFFAOYSA-N -1 3 233.289 0.983 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC000370445318 387117430 /nfs/dbraw/zinc/11/74/30/387117430.db2.gz SYGXRVVCNQOMKP-MWLCHTKSSA-N -1 3 229.276 0.497 20 0 BCADHM C[C@@H](O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000034198699 387118511 /nfs/dbraw/zinc/11/85/11/387118511.db2.gz FGEPTXLQIYNVTM-ZCFIWIBFSA-N -1 3 220.232 0.069 20 0 BCADHM Cn1[n-]c(CN2CC[C@H]3CCC[C@@H]32)nc1=O ZINC000336353028 387183024 /nfs/dbraw/zinc/18/30/24/387183024.db2.gz FVRWPWPSCIBRQI-BDAKNGLRSA-N -1 3 222.292 0.483 20 0 BCADHM COC(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000571688026 387140461 /nfs/dbraw/zinc/14/04/61/387140461.db2.gz LSTRJGMCWPUGLS-AEJSXWLSSA-N -1 3 241.287 0.877 20 0 BCADHM CCS(=O)(=O)NCc1ncccc1[O-] ZINC000360009674 387213342 /nfs/dbraw/zinc/21/33/42/387213342.db2.gz AHRBTGTYOMTVHX-UHFFFAOYSA-N -1 3 216.262 0.227 20 0 BCADHM CC(C)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000336397979 387226406 /nfs/dbraw/zinc/22/64/06/387226406.db2.gz HUXYKCPPCVIMCG-UHFFFAOYSA-N -1 3 238.335 0.976 20 0 BCADHM C[C@H]1OCC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000129922907 387227963 /nfs/dbraw/zinc/22/79/63/387227963.db2.gz KUXUZPXSWATAJH-APPZFPTMSA-N -1 3 246.270 0.865 20 0 BCADHM C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000230139495 387233471 /nfs/dbraw/zinc/23/34/71/387233471.db2.gz MITVWTXDMAVEGK-APPZFPTMSA-N -1 3 245.304 0.256 20 0 BCADHM C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC000336412713 387240775 /nfs/dbraw/zinc/24/07/75/387240775.db2.gz PERFKMKAMFKPCG-UHFFFAOYSA-N -1 3 247.247 0.520 20 0 BCADHM CN(CCC(N)=O)C(=O)c1ccccc1[O-] ZINC000286254405 387319056 /nfs/dbraw/zinc/31/90/56/387319056.db2.gz QMGQMBCECBBQJO-UHFFFAOYSA-N -1 3 222.244 0.340 20 0 BCADHM CO[C@@H](C(=O)[N-]c1nncn1C)C(C)C ZINC000353821567 387279409 /nfs/dbraw/zinc/27/94/09/387279409.db2.gz CZYGZYRHTBTIGJ-SSDOTTSWSA-N -1 3 212.253 0.425 20 0 BCADHM CC(C)[C@@](C)(O)C(=O)[N-]c1nncn1C ZINC000353825002 387280041 /nfs/dbraw/zinc/28/00/41/387280041.db2.gz KDLYYTVKIJFTSK-SECBINFHSA-N -1 3 212.253 0.161 20 0 BCADHM CCOCCNC(=O)Cc1cncc([O-])c1 ZINC000515392090 387376241 /nfs/dbraw/zinc/37/62/41/387376241.db2.gz MDXIWKHPLIGLTH-UHFFFAOYSA-N -1 3 224.260 0.482 20 0 BCADHM Cc1nnc([N-]CC(=O)N2CCCCC2)o1 ZINC000286296078 387322140 /nfs/dbraw/zinc/32/21/40/387322140.db2.gz YBAUPMMASUKUDP-UHFFFAOYSA-N -1 3 224.264 0.802 20 0 BCADHM CON(CC(C)(C)C)C(=O)c1cn[n-]n1 ZINC000286650381 387334339 /nfs/dbraw/zinc/33/43/39/387334339.db2.gz XSUMGXMFDHWGKU-UHFFFAOYSA-N -1 3 212.253 0.854 20 0 BCADHM O=C(c1ncccc1[O-])N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423596026 387385085 /nfs/dbraw/zinc/38/50/85/387385085.db2.gz QYXYABWVDKBXEZ-AOOOYVTPSA-N -1 3 247.298 0.754 20 0 BCADHM Cn1[n-]c(CN(CC2CC2)C2CCC2)nc1=O ZINC000361585890 387502510 /nfs/dbraw/zinc/50/25/10/387502510.db2.gz QXKUSDBTQVSGAQ-UHFFFAOYSA-N -1 3 236.319 0.873 20 0 BCADHM CN(C)c1nc(C(=O)Nc2cn[nH]c2)cc(=O)[n-]1 ZINC000361590141 387504067 /nfs/dbraw/zinc/50/40/67/387504067.db2.gz SJMJSDMLDGWAPN-UHFFFAOYSA-N -1 3 248.246 0.224 20 0 BCADHM C[C@H](O)CC[N-]S(=O)(=O)c1cscn1 ZINC000645553956 387530312 /nfs/dbraw/zinc/53/03/12/387530312.db2.gz RFWMNCAGGHVNRR-LURJTMIESA-N -1 3 236.318 0.192 20 0 BCADHM CCN(C)C(=O)C[N-]c1nnc(C2CC2)o1 ZINC000278473524 387541113 /nfs/dbraw/zinc/54/11/13/387541113.db2.gz URDQXQNYBNSGQG-UHFFFAOYSA-N -1 3 224.264 0.837 20 0 BCADHM CSc1nnc(NC(=O)c2cncnc2)[n-]1 ZINC000355001969 387463065 /nfs/dbraw/zinc/46/30/65/387463065.db2.gz FEHULJQPGMIXMJ-UHFFFAOYSA-N -1 3 236.260 0.569 20 0 BCADHM CSc1n[n-]c(NC(=O)c2cncnc2)n1 ZINC000355001969 387463074 /nfs/dbraw/zinc/46/30/74/387463074.db2.gz FEHULJQPGMIXMJ-UHFFFAOYSA-N -1 3 236.260 0.569 20 0 BCADHM CSc1nc(NC(=O)c2cncnc2)n[n-]1 ZINC000355001969 387463076 /nfs/dbraw/zinc/46/30/76/387463076.db2.gz FEHULJQPGMIXMJ-UHFFFAOYSA-N -1 3 236.260 0.569 20 0 BCADHM CN(CCNC(=O)C(=O)[O-])Cc1ccccc1 ZINC000274212232 387471800 /nfs/dbraw/zinc/47/18/00/387471800.db2.gz WSVLGOKLVRJBFO-UHFFFAOYSA-N -1 3 236.271 0.319 20 0 BCADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000580438932 387588318 /nfs/dbraw/zinc/58/83/18/387588318.db2.gz JOEYVBZMXXVFAE-VIFPVBQESA-N -1 3 245.348 0.991 20 0 BCADHM CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000124486953 387619234 /nfs/dbraw/zinc/61/92/34/387619234.db2.gz LMQWCFFAQUSNDB-UHFFFAOYSA-N -1 3 246.263 0.557 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1ccccn1)[C@H](C)CO ZINC000305654693 387623997 /nfs/dbraw/zinc/62/39/97/387623997.db2.gz FBLPDPQBVZSYEP-RKDXNWHRSA-N -1 3 244.316 0.377 20 0 BCADHM CC[C@@H](O)C[N-]S(=O)(=O)c1ccccc1F ZINC000124655337 387625847 /nfs/dbraw/zinc/62/58/47/387625847.db2.gz AZTXWXFEMIJWLK-MRVPVSSYSA-N -1 3 247.291 0.875 20 0 BCADHM C[C@@H](NC(=O)c1ccccc1[O-])C(=O)N(C)C ZINC000042341690 387626464 /nfs/dbraw/zinc/62/64/64/387626464.db2.gz ZGWKNKYTNWHKFI-MRVPVSSYSA-N -1 3 236.271 0.599 20 0 BCADHM CCc1cnc(S(=O)(=O)C[C@H]2CCCO2)[n-]1 ZINC000125646307 387663879 /nfs/dbraw/zinc/66/38/79/387663879.db2.gz DMAQHFRXDLMBKR-SECBINFHSA-N -1 3 244.316 0.925 20 0 BCADHM CCc1c[n-]c(S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000125646307 387663883 /nfs/dbraw/zinc/66/38/83/387663883.db2.gz DMAQHFRXDLMBKR-SECBINFHSA-N -1 3 244.316 0.925 20 0 BCADHM COC(=O)c1ccc(C(=O)Nc2nc[nH]n2)[n-]1 ZINC000431331023 387699897 /nfs/dbraw/zinc/69/98/97/387699897.db2.gz DYPHFILVHPWYSL-UHFFFAOYSA-N -1 3 235.203 0.172 20 0 BCADHM CCO[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000452038080 387708132 /nfs/dbraw/zinc/70/81/32/387708132.db2.gz XANFGIAKXGVLDG-RKDXNWHRSA-N -1 3 240.307 0.948 20 0 BCADHM C[C@H](O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377486383 387720542 /nfs/dbraw/zinc/72/05/42/387720542.db2.gz UMCMVMYBONBXCZ-ZETCQYMHSA-N -1 3 226.280 0.071 20 0 BCADHM CC1(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CC1 ZINC000564027159 387805431 /nfs/dbraw/zinc/80/54/31/387805431.db2.gz MCKNYTIIUPPOBO-QMMMGPOBSA-N -1 3 223.276 0.023 20 0 BCADHM Cn1[n-]nnc1=NC[C@@H]1CCN1C1CCCC1 ZINC000528208541 387871237 /nfs/dbraw/zinc/87/12/37/387871237.db2.gz JSYNMBLIOPXGPB-JTQLQIEISA-N -1 3 236.323 0.061 20 0 BCADHM O=C(NCCc1cccc(O)c1)c1c[n-]nn1 ZINC000195030128 387901635 /nfs/dbraw/zinc/90/16/35/387901635.db2.gz KXHIVHZKWJADHS-UHFFFAOYSA-N -1 3 232.243 0.483 20 0 BCADHM O=C(NCCc1cccc(O)c1)c1cnn[n-]1 ZINC000195030128 387901638 /nfs/dbraw/zinc/90/16/38/387901638.db2.gz KXHIVHZKWJADHS-UHFFFAOYSA-N -1 3 232.243 0.483 20 0 BCADHM O=C(NCCc1cccc(O)c1)c1cn[n-]n1 ZINC000195030128 387901643 /nfs/dbraw/zinc/90/16/43/387901643.db2.gz KXHIVHZKWJADHS-UHFFFAOYSA-N -1 3 232.243 0.483 20 0 BCADHM Cc1cc(C(=O)[N-]c2ncn(C)n2)ns1 ZINC000293729475 177820725 /nfs/dbraw/zinc/82/07/25/177820725.db2.gz RHGSSAUGOMHBGA-UHFFFAOYSA-N -1 3 223.261 0.832 20 0 BCADHM O=S(=O)([N-]CC[C@@H]1CCOC1)c1ccco1 ZINC000445736151 387964020 /nfs/dbraw/zinc/96/40/20/387964020.db2.gz YHOONMJLEUABGV-SECBINFHSA-N -1 3 245.300 0.985 20 0 BCADHM CC(C)[C@H](NC(=O)c1ccccc1[O-])C(N)=O ZINC000107184003 387990230 /nfs/dbraw/zinc/99/02/30/387990230.db2.gz NSYXWAWCXUOONP-JTQLQIEISA-N -1 3 236.271 0.632 20 0 BCADHM O=S(=O)([N-]c1cnn(CCF)c1)C1CC1 ZINC000629316902 388018254 /nfs/dbraw/zinc/01/82/54/388018254.db2.gz DMBKOXPIRUAPGP-UHFFFAOYSA-N -1 3 233.268 0.757 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cnccn1 ZINC000440361225 388040320 /nfs/dbraw/zinc/04/03/20/388040320.db2.gz AOSDYZMXTMVEGL-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCC(=O)N1 ZINC000085203748 388085031 /nfs/dbraw/zinc/08/50/31/388085031.db2.gz QGMRJBFNTXLICF-SECBINFHSA-N -1 3 238.218 0.748 20 0 BCADHM O=C(N[C@@H]1COCC[C@H]1O)c1cccc([O-])c1 ZINC000634459092 388087337 /nfs/dbraw/zinc/08/73/37/388087337.db2.gz MLTSUSZKSQIJKQ-GHMZBOCLSA-N -1 3 237.255 0.272 20 0 BCADHM COc1ccc([O-])c(C(=O)NCC[C@H](C)O)c1 ZINC000085985930 388098519 /nfs/dbraw/zinc/09/85/19/388098519.db2.gz KNBOKLZYHWJDJJ-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM CCC(CC)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646265983 388172928 /nfs/dbraw/zinc/17/29/28/388172928.db2.gz GZINORZFAAOTPW-UHFFFAOYSA-N -1 3 222.252 0.827 20 0 BCADHM CC1(C(=O)[N-]c2nnc3[nH]cnn23)CCC1 ZINC000646268403 388173791 /nfs/dbraw/zinc/17/37/91/388173791.db2.gz YRKYUFCRDOTBHF-UHFFFAOYSA-N -1 3 220.236 0.581 20 0 BCADHM Cc1ncsc1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646268284 388173859 /nfs/dbraw/zinc/17/38/59/388173859.db2.gz SYYLRQGOLBDJBD-UHFFFAOYSA-N -1 3 249.259 0.470 20 0 BCADHM O=C(Cc1ccco1)[N-]c1nnc2[nH]cnn12 ZINC000646267678 388173950 /nfs/dbraw/zinc/17/39/50/388173950.db2.gz YOAXKNFCCBLUDA-UHFFFAOYSA-N -1 3 232.203 0.227 20 0 BCADHM C=CC(=O)NCCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000490757107 388252567 /nfs/dbraw/zinc/25/25/67/388252567.db2.gz IPCFCKPGFHATMB-SSDOTTSWSA-N -1 3 241.316 0.286 20 0 BCADHM Cc1cccc(C(=O)N[C@@H]2COC[C@@H]2O)c1[O-] ZINC000323312440 388257686 /nfs/dbraw/zinc/25/76/86/388257686.db2.gz UFSDLJNZSQRWPM-ZJUUUORDSA-N -1 3 237.255 0.190 20 0 BCADHM CC(C)[C@@H]1C[C@H]1CNC(=O)c1c[n-]nn1 ZINC000456292971 388192498 /nfs/dbraw/zinc/19/24/98/388192498.db2.gz FSPDZSAYJWNUNN-YUMQZZPRSA-N -1 3 208.265 0.827 20 0 BCADHM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cnn[n-]1 ZINC000456292971 388192500 /nfs/dbraw/zinc/19/25/00/388192500.db2.gz FSPDZSAYJWNUNN-YUMQZZPRSA-N -1 3 208.265 0.827 20 0 BCADHM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cn[n-]n1 ZINC000456292971 388192502 /nfs/dbraw/zinc/19/25/02/388192502.db2.gz FSPDZSAYJWNUNN-YUMQZZPRSA-N -1 3 208.265 0.827 20 0 BCADHM CC[C@]1(O)CCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000490058275 388232595 /nfs/dbraw/zinc/23/25/95/388232595.db2.gz SPIINADOCXKNQY-NSHDSACASA-N -1 3 248.290 0.068 20 0 BCADHM Cn1cc(CNC(=O)c2c([O-])cccc2O)cn1 ZINC000092119843 256584089 /nfs/dbraw/zinc/58/40/89/256584089.db2.gz UQFFUUHUVUYYPN-UHFFFAOYSA-N -1 3 247.254 0.761 20 0 BCADHM COc1ccc(/C=C\C(=O)[N-]OCCO)cc1 ZINC000492036600 388332410 /nfs/dbraw/zinc/33/24/10/388332410.db2.gz ZMNDOZZXWZCZMK-DAXSKMNVSA-N -1 3 237.255 0.749 20 0 BCADHM Cc1ccc(/C=C\C(=O)[N-]OCCO)cn1 ZINC000491972448 388330200 /nfs/dbraw/zinc/33/02/00/388330200.db2.gz LOUSEFJXFNHKGJ-PLNGDYQASA-N -1 3 222.244 0.443 20 0 BCADHM CCC[C@@H]([N-]S(=O)(=O)C1(C)CC1)C(=O)OC ZINC000451382612 388268016 /nfs/dbraw/zinc/26/80/16/388268016.db2.gz XLWXVPYWHKYYHI-MRVPVSSYSA-N -1 3 249.332 0.800 20 0 BCADHM COCC1(S(=O)(=O)[N-]CC(=O)C(C)C)CC1 ZINC000451406807 388270428 /nfs/dbraw/zinc/27/04/28/388270428.db2.gz SORCURMFJFQNNH-UHFFFAOYSA-N -1 3 249.332 0.310 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CC[C@@H](O)C1 ZINC000492320095 388341523 /nfs/dbraw/zinc/34/15/23/388341523.db2.gz NRHZIHMYWVPNMF-TXXBHVLJSA-N -1 3 234.255 0.394 20 0 BCADHM CN(C)C1CN(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000492396842 388343373 /nfs/dbraw/zinc/34/33/73/388343373.db2.gz JDCKTCLPSNKCCM-ONEGZZNKSA-N -1 3 247.298 0.573 20 0 BCADHM COC1CN(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000492399059 388343386 /nfs/dbraw/zinc/34/33/86/388343386.db2.gz NCFSXULPPXQFAY-IHWYPQMZSA-N -1 3 234.255 0.658 20 0 BCADHM CS[C@@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000524397161 388359164 /nfs/dbraw/zinc/35/91/64/388359164.db2.gz KLPIOKBBLRCMGH-YUMQZZPRSA-N -1 3 243.332 0.366 20 0 BCADHM C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)Nc1nnn[n-]1 ZINC000572706522 388368394 /nfs/dbraw/zinc/36/83/94/388368394.db2.gz QTOPERQCHYIUMK-GJMOJQLCSA-N -1 3 238.295 0.115 20 0 BCADHM C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)Nc1nn[n-]n1 ZINC000572706522 388368395 /nfs/dbraw/zinc/36/83/95/388368395.db2.gz QTOPERQCHYIUMK-GJMOJQLCSA-N -1 3 238.295 0.115 20 0 BCADHM COc1cc(=NC(=O)N[C@@H]2CC23CC3)[n-]n1C ZINC000519537047 256650463 /nfs/dbraw/zinc/65/04/63/256650463.db2.gz DQBNOQLVCVBNDH-SSDOTTSWSA-N -1 3 236.275 0.525 20 0 BCADHM C[C@H]([N-]S(C)(=O)=O)c1nc(C(C)(C)C)no1 ZINC000174039905 388379361 /nfs/dbraw/zinc/37/93/61/388379361.db2.gz DMZBRDBJOHVNOA-LURJTMIESA-N -1 3 247.320 0.977 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CC(O)(C2CC2)C1 ZINC000236617273 388381763 /nfs/dbraw/zinc/38/17/63/388381763.db2.gz XQGXVZFVABORPH-UHFFFAOYSA-N -1 3 249.266 0.695 20 0 BCADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCOCC1 ZINC000646569112 388385449 /nfs/dbraw/zinc/38/54/49/388385449.db2.gz OBGHAFMQDKLMAI-UHFFFAOYSA-N -1 3 247.254 0.741 20 0 BCADHM CCN(CCO)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646649218 388401892 /nfs/dbraw/zinc/40/18/92/388401892.db2.gz UOZNJXRSFMWYQB-UHFFFAOYSA-N -1 3 249.270 0.723 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)/C=C/C1CC1 ZINC000492178448 388337596 /nfs/dbraw/zinc/33/75/96/388337596.db2.gz DIEYMSOWESFDBQ-AATRIKPKSA-N -1 3 240.303 0.427 20 0 BCADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cscn2)CO1 ZINC000515056873 256732358 /nfs/dbraw/zinc/73/23/58/256732358.db2.gz PTLNZUYEBMZWNF-NKWVEPMBSA-N -1 3 248.329 0.599 20 0 BCADHM COC1(C(=O)NCc2ncccc2[O-])CC1 ZINC000648886394 388481212 /nfs/dbraw/zinc/48/12/12/388481212.db2.gz LVQGZTUSQZOESS-UHFFFAOYSA-N -1 3 222.244 0.582 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C(C)(C)O ZINC000339070559 388479641 /nfs/dbraw/zinc/47/96/41/388479641.db2.gz PFYDJVUXHJATSS-ZETCQYMHSA-N -1 3 247.320 0.238 20 0 BCADHM COC[C@@](C)(O)C(=O)Nc1ccc([O-])cc1F ZINC000548465895 388541295 /nfs/dbraw/zinc/54/12/95/388541295.db2.gz PDIGAPIRWKSIMP-LLVKDONJSA-N -1 3 243.234 0.867 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC1CCC1 ZINC000564352366 388541887 /nfs/dbraw/zinc/54/18/87/388541887.db2.gz RLJFPDOBBDLCRQ-UHFFFAOYSA-N -1 3 206.245 0.998 20 0 BCADHM CCN(CC(=O)[O-])Cc1ccnc(OC)c1 ZINC000516481683 256778242 /nfs/dbraw/zinc/77/82/42/256778242.db2.gz JZAPFJUDYXQVDK-UHFFFAOYSA-N -1 3 224.260 0.997 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCCn2ncnn2)c1 ZINC000354759140 388544710 /nfs/dbraw/zinc/54/47/10/388544710.db2.gz GALKXHGYAVTMBD-UHFFFAOYSA-N -1 3 247.258 0.117 20 0 BCADHM O=C(Nc1nnn[n-]1)[C@H]1CNCc2ccccc21 ZINC000517236659 388545046 /nfs/dbraw/zinc/54/50/46/388545046.db2.gz DDJSSRCVGHWLEA-VIFPVBQESA-N -1 3 244.258 0.025 20 0 BCADHM O=C(Nc1nn[n-]n1)[C@H]1CNCc2ccccc21 ZINC000517236659 388545049 /nfs/dbraw/zinc/54/50/49/388545049.db2.gz DDJSSRCVGHWLEA-VIFPVBQESA-N -1 3 244.258 0.025 20 0 BCADHM Cn1nccc1CCC(=O)Nc1ccncc1[O-] ZINC000548513366 388545337 /nfs/dbraw/zinc/54/53/37/388545337.db2.gz WIOFQXTXLCABDY-UHFFFAOYSA-N -1 3 246.270 0.514 20 0 BCADHM Cc1ccc([O-])c(CNCc2cnnn2C)n1 ZINC000342264957 388498048 /nfs/dbraw/zinc/49/80/48/388498048.db2.gz KQVFFQHSUMSPRD-UHFFFAOYSA-N -1 3 233.275 0.514 20 0 BCADHM CN(C[C@@H]1CCCO1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000548119612 388514980 /nfs/dbraw/zinc/51/49/80/388514980.db2.gz NXUCRCMVXOHFDV-ZETCQYMHSA-N -1 3 248.290 0.332 20 0 BCADHM CCC[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)OC ZINC000356470378 388549638 /nfs/dbraw/zinc/54/96/38/388549638.db2.gz GZGQVLNYYQFIRM-MRVPVSSYSA-N -1 3 247.320 0.503 20 0 BCADHM C[C@]1(C[N-]S(=O)(=O)c2c[nH]cn2)CCOC1 ZINC000347016172 388521655 /nfs/dbraw/zinc/52/16/55/388521655.db2.gz DZLSFDUGOXVVCD-SECBINFHSA-N -1 3 245.304 0.115 20 0 BCADHM O=C(c1c([O-])cccc1O)N1C[C@@H](O)C2(CC2)C1 ZINC000548323513 388528286 /nfs/dbraw/zinc/52/82/86/388528286.db2.gz WDOBPFPIFZTKEA-SNVBAGLBSA-N -1 3 249.266 0.695 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CC2CC=CC2)c1 ZINC000528470856 388530948 /nfs/dbraw/zinc/53/09/48/388530948.db2.gz OSMXYLBROKWDKB-UHFFFAOYSA-N -1 3 241.316 0.665 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1CCOC1 ZINC000549696091 388588532 /nfs/dbraw/zinc/58/85/32/388588532.db2.gz UAAOWIXLBFLFCI-LURJTMIESA-N -1 3 239.231 0.171 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1CCOC1 ZINC000549696091 388588533 /nfs/dbraw/zinc/58/85/33/388588533.db2.gz UAAOWIXLBFLFCI-LURJTMIESA-N -1 3 239.231 0.171 20 0 BCADHM C[C@H](CNC(=O)c1c[n-]nn1)CC(F)F ZINC000648963221 388588996 /nfs/dbraw/zinc/58/89/96/388588996.db2.gz OJJGHRHRNYVFIX-YFKPBYRVSA-N -1 3 218.207 0.826 20 0 BCADHM C[C@H](CNC(=O)c1cnn[n-]1)CC(F)F ZINC000648963221 388588998 /nfs/dbraw/zinc/58/89/98/388588998.db2.gz OJJGHRHRNYVFIX-YFKPBYRVSA-N -1 3 218.207 0.826 20 0 BCADHM C[C@H](CNC(=O)c1cn[n-]n1)CC(F)F ZINC000648963221 388588999 /nfs/dbraw/zinc/58/89/99/388588999.db2.gz OJJGHRHRNYVFIX-YFKPBYRVSA-N -1 3 218.207 0.826 20 0 BCADHM O=C([N-]c1nncn1C1CC1)C1(O)CCC1 ZINC000285966668 388597537 /nfs/dbraw/zinc/59/75/37/388597537.db2.gz WGOCPUZQONOAMB-UHFFFAOYSA-N -1 3 222.248 0.467 20 0 BCADHM COc1nnc(NC(=O)c2cnn(C3CC3)c2)[n-]1 ZINC000528947088 388585126 /nfs/dbraw/zinc/58/51/26/388585126.db2.gz MCZRDNFDAJHSCN-UHFFFAOYSA-N -1 3 248.246 0.597 20 0 BCADHM COc1nc(NC(=O)c2cnn(C3CC3)c2)n[n-]1 ZINC000528947088 388585127 /nfs/dbraw/zinc/58/51/27/388585127.db2.gz MCZRDNFDAJHSCN-UHFFFAOYSA-N -1 3 248.246 0.597 20 0 BCADHM COc1n[n-]c(NC(=O)c2cnn(C3CC3)c2)n1 ZINC000528947088 388585128 /nfs/dbraw/zinc/58/51/28/388585128.db2.gz MCZRDNFDAJHSCN-UHFFFAOYSA-N -1 3 248.246 0.597 20 0 BCADHM C[C@H](C[C@H](C)O)NC(=O)c1cc(F)c[n-]c1=O ZINC000621950227 388686215 /nfs/dbraw/zinc/68/62/15/388686215.db2.gz LPLHCWSUGAJKFT-RQJHMYQMSA-N -1 3 242.250 0.816 20 0 BCADHM CC[C@H](F)CN1CC[C@@](OC)(C(=O)[O-])C1 ZINC000530168970 388618780 /nfs/dbraw/zinc/61/87/80/388618780.db2.gz GLNFORNSKNDWRX-WPRPVWTQSA-N -1 3 219.256 0.910 20 0 BCADHM COc1ccc([O-])c(C(=O)N(C)CCO)c1 ZINC000037862129 388649287 /nfs/dbraw/zinc/64/92/87/388649287.db2.gz GXFURDRSHXLOOJ-UHFFFAOYSA-N -1 3 225.244 0.465 20 0 BCADHM CCc1nc([N-]C(=O)c2snnc2C)n[nH]1 ZINC000190565905 388653602 /nfs/dbraw/zinc/65/36/02/388653602.db2.gz PVAPHRZBODBZNE-UHFFFAOYSA-N -1 3 238.276 0.779 20 0 BCADHM CCN1CN(C(=O)c2ccccc2[O-])CC1=O ZINC000190581250 388654483 /nfs/dbraw/zinc/65/44/83/388654483.db2.gz CYWYVXAYMFVBEW-UHFFFAOYSA-N -1 3 234.255 0.654 20 0 BCADHM COc1ccc([O-])c(C(=O)N[C@@H](C)CCO)c1 ZINC000123523188 388655019 /nfs/dbraw/zinc/65/50/19/388655019.db2.gz YRYYIOJXQSYYSZ-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM Cc1cc(C(=O)N[C@H](C)CO)ccc1[O-] ZINC000227018087 388736775 /nfs/dbraw/zinc/73/67/75/388736775.db2.gz CSGXCEWXNLNRKF-MRVPVSSYSA-N -1 3 209.245 0.811 20 0 BCADHM CC[C@H](OC)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522262970 388740072 /nfs/dbraw/zinc/74/00/72/388740072.db2.gz KYMTWPOYTFPEAF-BDAKNGLRSA-N -1 3 241.291 0.040 20 0 BCADHM CSCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522261631 388740310 /nfs/dbraw/zinc/74/03/10/388740310.db2.gz XGHSXIOQWJOFCO-QMMMGPOBSA-N -1 3 243.332 0.368 20 0 BCADHM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1cnn[n-]1 ZINC000552385520 388700183 /nfs/dbraw/zinc/70/01/83/388700183.db2.gz YCBXPHFAFOPBME-UHFFFAOYSA-N -1 3 244.214 0.639 20 0 BCADHM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1c[n-]nn1 ZINC000552385520 388700185 /nfs/dbraw/zinc/70/01/85/388700185.db2.gz YCBXPHFAFOPBME-UHFFFAOYSA-N -1 3 244.214 0.639 20 0 BCADHM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1cn[n-]n1 ZINC000552385520 388700186 /nfs/dbraw/zinc/70/01/86/388700186.db2.gz YCBXPHFAFOPBME-UHFFFAOYSA-N -1 3 244.214 0.639 20 0 BCADHM COc1nnc(NC(=O)c2cccnc2OC)[n-]1 ZINC000126769790 388702116 /nfs/dbraw/zinc/70/21/16/388702116.db2.gz MBWJJLLMNQDNMX-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1nc(NC(=O)c2cccnc2OC)n[n-]1 ZINC000126769790 388702118 /nfs/dbraw/zinc/70/21/18/388702118.db2.gz MBWJJLLMNQDNMX-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1n[n-]c(NC(=O)c2cccnc2OC)n1 ZINC000126769790 388702121 /nfs/dbraw/zinc/70/21/21/388702121.db2.gz MBWJJLLMNQDNMX-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1nnc(NC(=O)C=Cc2cccnc2)[n-]1 ZINC000126824986 388704738 /nfs/dbraw/zinc/70/47/38/388704738.db2.gz LBXKQOIBIWJEBQ-SNAWJCMRSA-N -1 3 245.242 0.860 20 0 BCADHM COc1nc(NC(=O)C=Cc2cccnc2)n[n-]1 ZINC000126824986 388704740 /nfs/dbraw/zinc/70/47/40/388704740.db2.gz LBXKQOIBIWJEBQ-SNAWJCMRSA-N -1 3 245.242 0.860 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2cccnc2)n1 ZINC000126824986 388704741 /nfs/dbraw/zinc/70/47/41/388704741.db2.gz LBXKQOIBIWJEBQ-SNAWJCMRSA-N -1 3 245.242 0.860 20 0 BCADHM CO[C@H](CNC(=O)c1c[n-]nn1)c1ccccc1 ZINC000193490618 388706658 /nfs/dbraw/zinc/70/66/58/388706658.db2.gz ZZWUJYRKOSIOSM-LLVKDONJSA-N -1 3 246.270 0.922 20 0 BCADHM CO[C@H](CNC(=O)c1cnn[n-]1)c1ccccc1 ZINC000193490618 388706661 /nfs/dbraw/zinc/70/66/61/388706661.db2.gz ZZWUJYRKOSIOSM-LLVKDONJSA-N -1 3 246.270 0.922 20 0 BCADHM CO[C@H](CNC(=O)c1cn[n-]n1)c1ccccc1 ZINC000193490618 388706662 /nfs/dbraw/zinc/70/66/62/388706662.db2.gz ZZWUJYRKOSIOSM-LLVKDONJSA-N -1 3 246.270 0.922 20 0 BCADHM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1ccccc1[O-] ZINC000194345475 388730063 /nfs/dbraw/zinc/73/00/63/388730063.db2.gz ALVHRABHMMCXJG-LDYMZIIASA-N -1 3 248.282 0.647 20 0 BCADHM O=c1[n-]c(CN2CCC[C@H]3COCC[C@H]32)n[nH]1 ZINC000540347059 388803395 /nfs/dbraw/zinc/80/33/95/388803395.db2.gz YOSZZEWGDPODAM-DTWKUNHWSA-N -1 3 238.291 0.511 20 0 BCADHM O=c1[n-]c(CN2CCC[C@@H]3COCC[C@@H]32)n[nH]1 ZINC000540347058 388804017 /nfs/dbraw/zinc/80/40/17/388804017.db2.gz YOSZZEWGDPODAM-BDAKNGLRSA-N -1 3 238.291 0.511 20 0 BCADHM C[C@H]1C[C@H]1c1cc(NC(=O)c2cnn[n-]2)n[nH]1 ZINC000194544025 388816846 /nfs/dbraw/zinc/81/68/46/388816846.db2.gz ILDIITXFELCLRK-NTSWFWBYSA-N -1 3 232.247 0.904 20 0 BCADHM C[C@H]1C[C@H]1c1cc(NC(=O)c2c[n-]nn2)n[nH]1 ZINC000194544025 388816847 /nfs/dbraw/zinc/81/68/47/388816847.db2.gz ILDIITXFELCLRK-NTSWFWBYSA-N -1 3 232.247 0.904 20 0 BCADHM C[C@H]1C[C@H]1c1cc(NC(=O)c2cn[n-]n2)n[nH]1 ZINC000194544025 388816850 /nfs/dbraw/zinc/81/68/50/388816850.db2.gz ILDIITXFELCLRK-NTSWFWBYSA-N -1 3 232.247 0.904 20 0 BCADHM COC[C@H]1CCN1C(=O)c1cccc2[n-]nnc21 ZINC000554577302 388823103 /nfs/dbraw/zinc/82/31/03/388823103.db2.gz VXRQSUXTBJTETH-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM COC[C@H]1CCN1C(=O)c1cccc2nn[n-]c21 ZINC000554577302 388823105 /nfs/dbraw/zinc/82/31/05/388823105.db2.gz VXRQSUXTBJTETH-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM COC[C@H]1CCN1C(=O)c1cccc2n[n-]nc21 ZINC000554577302 388823107 /nfs/dbraw/zinc/82/31/07/388823107.db2.gz VXRQSUXTBJTETH-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM CCO[C@H](CC)C(=O)Nc1n[n-]c(OC)n1 ZINC000540914582 388826889 /nfs/dbraw/zinc/82/68/89/388826889.db2.gz KEZDPHYMOZXHEZ-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCO[C@H](CC)C(=O)Nc1nnc(OC)[n-]1 ZINC000540914582 388826892 /nfs/dbraw/zinc/82/68/92/388826892.db2.gz KEZDPHYMOZXHEZ-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCO[C@H](CC)C(=O)Nc1nc(OC)n[n-]1 ZINC000540914582 388826895 /nfs/dbraw/zinc/82/68/95/388826895.db2.gz KEZDPHYMOZXHEZ-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CN(CCN=c1nn[n-]n1C)C1CCCCC1 ZINC000555124686 388840377 /nfs/dbraw/zinc/84/03/77/388840377.db2.gz WNCOIQFHCGIOKG-UHFFFAOYSA-N -1 3 238.339 0.308 20 0 BCADHM CCCC(=O)Nc1[n-]cnc1C(=O)OC ZINC000555515065 388852411 /nfs/dbraw/zinc/85/24/11/388852411.db2.gz VGMSWPFDQWXSBU-UHFFFAOYSA-N -1 3 211.221 0.935 20 0 BCADHM CCCC(=O)Nc1nc[n-]c1C(=O)OC ZINC000555515065 388852414 /nfs/dbraw/zinc/85/24/14/388852414.db2.gz VGMSWPFDQWXSBU-UHFFFAOYSA-N -1 3 211.221 0.935 20 0 BCADHM CCc1coc(NC(=O)c2cnn[n-]2)n1 ZINC000555602083 388855153 /nfs/dbraw/zinc/85/51/53/388855153.db2.gz IHHISTYTGPFIJT-UHFFFAOYSA-N -1 3 207.193 0.607 20 0 BCADHM CCc1coc(NC(=O)c2c[n-]nn2)n1 ZINC000555602083 388855154 /nfs/dbraw/zinc/85/51/54/388855154.db2.gz IHHISTYTGPFIJT-UHFFFAOYSA-N -1 3 207.193 0.607 20 0 BCADHM CCc1coc(NC(=O)c2cn[n-]n2)n1 ZINC000555602083 388855157 /nfs/dbraw/zinc/85/51/57/388855157.db2.gz IHHISTYTGPFIJT-UHFFFAOYSA-N -1 3 207.193 0.607 20 0 BCADHM CCO[C@@H]1C[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000555972728 388863125 /nfs/dbraw/zinc/86/31/25/388863125.db2.gz LYRMVSVRBXBMNU-NXEZZACHSA-N -1 3 246.270 0.865 20 0 BCADHM CCO[C@@H]1C[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000555972728 388863129 /nfs/dbraw/zinc/86/31/29/388863129.db2.gz LYRMVSVRBXBMNU-NXEZZACHSA-N -1 3 246.270 0.865 20 0 BCADHM CCO[C@@H]1C[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000555972728 388863132 /nfs/dbraw/zinc/86/31/32/388863132.db2.gz LYRMVSVRBXBMNU-NXEZZACHSA-N -1 3 246.270 0.865 20 0 BCADHM Cc1ncc(CNCc2ccn(C)n2)c(=O)[n-]1 ZINC000541384623 388850112 /nfs/dbraw/zinc/85/01/12/388850112.db2.gz WRMUBLISTJCSPR-UHFFFAOYSA-N -1 3 233.275 0.514 20 0 BCADHM CO[C@@H]1CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000232434898 388850164 /nfs/dbraw/zinc/85/01/64/388850164.db2.gz HHVWZHCFQZZBRQ-MRVPVSSYSA-N -1 3 237.255 0.959 20 0 BCADHM CN(C)c1nc(C(=O)N[C@H]2CC23CC3)cc(=O)[n-]1 ZINC000564866551 388895082 /nfs/dbraw/zinc/89/50/82/388895082.db2.gz KWTWDBNXJBMQLI-QMMMGPOBSA-N -1 3 248.286 0.531 20 0 BCADHM [O-]c1cccnc1CN1CCN2CCOC[C@H]2C1 ZINC000565626873 388958776 /nfs/dbraw/zinc/95/87/76/388958776.db2.gz RQMVLCOOQWEJQS-LLVKDONJSA-N -1 3 249.314 0.304 20 0 BCADHM COC(=O)CC1(NCc2ncccc2[O-])CC1 ZINC000565306379 388937976 /nfs/dbraw/zinc/93/79/76/388937976.db2.gz AOKIABNXCZPDET-UHFFFAOYSA-N -1 3 236.271 0.973 20 0 BCADHM CC(=O)NCCC[N-]C(=O)C(F)(F)C(F)F ZINC000267204499 388999590 /nfs/dbraw/zinc/99/95/90/388999590.db2.gz PHTQDSFMZUPVGP-UHFFFAOYSA-N -1 3 244.188 0.529 20 0 BCADHM C[C@@H](O)CCNC(=O)/C=C/c1cncc([O-])c1 ZINC000305823162 533616475 /nfs/dbraw/zinc/61/64/75/533616475.db2.gz BSMNVUGBBPYLON-GKQMSVHHSA-N -1 3 236.271 0.688 20 0 BCADHM COC1CCN(c2nc3[nH][n-]cc-3c(=N)n2)CC1 ZINC000354520517 132269917 /nfs/dbraw/zinc/26/99/17/132269917.db2.gz CJGCTZDHMXFFFS-UHFFFAOYSA-N -1 3 248.290 0.332 20 0 BCADHM CCc1ccc([O-])c(C(=O)N[C@H]2CNC(=O)C2)c1 ZINC000335997307 134042456 /nfs/dbraw/zinc/04/24/56/134042456.db2.gz AZLMCCXSNMICMC-SECBINFHSA-N -1 3 248.282 0.573 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1cncs1 ZINC000352038014 134045526 /nfs/dbraw/zinc/04/55/26/134045526.db2.gz CLNUTUQYNOQBAH-RXMQYKEDSA-N -1 3 223.261 0.752 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1cncs1 ZINC000352038014 134045527 /nfs/dbraw/zinc/04/55/27/134045527.db2.gz CLNUTUQYNOQBAH-RXMQYKEDSA-N -1 3 223.261 0.752 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1cncs1 ZINC000352038014 134045528 /nfs/dbraw/zinc/04/55/28/134045528.db2.gz CLNUTUQYNOQBAH-RXMQYKEDSA-N -1 3 223.261 0.752 20 0 BCADHM Cn1c(NC(=O)c2cnn[n-]2)nc2cccnc21 ZINC000352044657 134046289 /nfs/dbraw/zinc/04/62/89/134046289.db2.gz JPRYWJUVQZDHOZ-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM Cn1c(NC(=O)c2c[n-]nn2)nc2cccnc21 ZINC000352044657 134046290 /nfs/dbraw/zinc/04/62/90/134046290.db2.gz JPRYWJUVQZDHOZ-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM Cn1c(NC(=O)c2cn[n-]n2)nc2cccnc21 ZINC000352044657 134046291 /nfs/dbraw/zinc/04/62/91/134046291.db2.gz JPRYWJUVQZDHOZ-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM CC[C@@H]1CC[C@H](C)N1Cc1nc(=O)n(C)[n-]1 ZINC000336002351 134047537 /nfs/dbraw/zinc/04/75/37/134047537.db2.gz QHJLTLPDRACGRP-DTWKUNHWSA-N -1 3 224.308 0.871 20 0 BCADHM C[C@H]1CC[C@H](C)N1Cc1nc(=O)n(C)[n-]1 ZINC000336001762 134047670 /nfs/dbraw/zinc/04/76/70/134047670.db2.gz DBDHFXPJIVIZKX-YUMQZZPRSA-N -1 3 210.281 0.481 20 0 BCADHM FC(F)(F)OCCN=c1ncnc2[nH][n-]cc1-2 ZINC000352278762 134129410 /nfs/dbraw/zinc/12/94/10/134129410.db2.gz FLMZDTVRZCOJJA-UHFFFAOYSA-N -1 3 247.180 0.675 20 0 BCADHM Cn1[n-]c(CN2C[C@H]3CCC[C@@H]3C2)nc1=O ZINC000336627689 134152363 /nfs/dbraw/zinc/15/23/63/134152363.db2.gz WVQLTZYBDFJDNR-RKDXNWHRSA-N -1 3 222.292 0.340 20 0 BCADHM CCOc1cccnc1C(=O)[N-]c1nc[nH]n1 ZINC000178115027 134306373 /nfs/dbraw/zinc/30/63/73/134306373.db2.gz QVXRLTCHZBDRCA-UHFFFAOYSA-N -1 3 233.231 0.851 20 0 BCADHM O=C(NCc1ccn2ccnc2c1)c1c[n-]nn1 ZINC000178381783 134309263 /nfs/dbraw/zinc/30/92/63/134309263.db2.gz IIDPSDSNUCSCSG-UHFFFAOYSA-N -1 3 242.242 0.382 20 0 BCADHM O=C(NCc1ccn2ccnc2c1)c1cn[n-]n1 ZINC000178381783 134309264 /nfs/dbraw/zinc/30/92/64/134309264.db2.gz IIDPSDSNUCSCSG-UHFFFAOYSA-N -1 3 242.242 0.382 20 0 BCADHM Cc1cc(C(=O)NCC(=O)NC2CC2)ccc1[O-] ZINC000226714723 134370972 /nfs/dbraw/zinc/37/09/72/134370972.db2.gz UFQIVDFTEVKBGH-UHFFFAOYSA-N -1 3 248.282 0.709 20 0 BCADHM O=C(NC[C@@H]1CCCCS1)c1c[n-]nn1 ZINC000087686379 135165472 /nfs/dbraw/zinc/16/54/72/135165472.db2.gz GLLXWMMPVHBXRW-ZETCQYMHSA-N -1 3 226.305 0.820 20 0 BCADHM O=C(NC[C@@H]1CCCCS1)c1cnn[n-]1 ZINC000087686379 135165473 /nfs/dbraw/zinc/16/54/73/135165473.db2.gz GLLXWMMPVHBXRW-ZETCQYMHSA-N -1 3 226.305 0.820 20 0 BCADHM O=C(NC[C@@H]1CCCCS1)c1cn[n-]n1 ZINC000087686379 135165475 /nfs/dbraw/zinc/16/54/75/135165475.db2.gz GLLXWMMPVHBXRW-ZETCQYMHSA-N -1 3 226.305 0.820 20 0 BCADHM COc1ccc([O-])c(C(=O)Nc2nncn2C)c1 ZINC000164075122 135212731 /nfs/dbraw/zinc/21/27/31/135212731.db2.gz RXDISZWCTUKXOR-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM COCCN1CCN([C@H](C)C(=O)[O-])C[C@H]1C ZINC000261587615 135228799 /nfs/dbraw/zinc/22/87/99/135228799.db2.gz RVMRYZLAXQILJK-NXEZZACHSA-N -1 3 230.308 0.112 20 0 BCADHM CC[C@H](C(=O)NCCC(=O)[O-])N(CC)CC ZINC000261596392 135236049 /nfs/dbraw/zinc/23/60/49/135236049.db2.gz YVBUXLRPBLJBPY-SECBINFHSA-N -1 3 230.308 0.698 20 0 BCADHM COc1ccc([C@@H](CO)N(C)CC(=O)[O-])cc1 ZINC000262220019 135285617 /nfs/dbraw/zinc/28/56/17/135285617.db2.gz KHMWPLGIVJGWQQ-LLVKDONJSA-N -1 3 239.271 0.745 20 0 BCADHM C[C@@H]1CCC[C@H](C)CN1CC(=O)NCC(=O)[O-] ZINC000262236838 135286445 /nfs/dbraw/zinc/28/64/45/135286445.db2.gz NZULCNBDADRLNK-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM O=C([O-])CNC(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000262273496 135289057 /nfs/dbraw/zinc/28/90/57/135289057.db2.gz VIFJSEURZNCNQQ-AOOOYVTPSA-N -1 3 240.303 0.309 20 0 BCADHM CCCN(CC(=O)NCC(=O)[O-])CC1CC1 ZINC000262276229 135289417 /nfs/dbraw/zinc/28/94/17/135289417.db2.gz VWZWJRYHXDQAFQ-UHFFFAOYSA-N -1 3 228.292 0.309 20 0 BCADHM C[C@@H]1CCCN(CC(=O)NCC(=O)[O-])[C@@H]1C ZINC000262208333 135289942 /nfs/dbraw/zinc/28/99/42/135289942.db2.gz JHMNDULQKDQACE-RKDXNWHRSA-N -1 3 228.292 0.308 20 0 BCADHM CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(=O)[O-] ZINC000262339603 135293703 /nfs/dbraw/zinc/29/37/03/135293703.db2.gz CFZLESMPEXUPCT-ZJUUUORDSA-N -1 3 244.335 0.942 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@H](C(C)C)N(C)C ZINC000262406096 135295502 /nfs/dbraw/zinc/29/55/02/135295502.db2.gz WLVHSYMJVKBIEI-NSHDSACASA-N -1 3 244.335 0.896 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CCC(=O)[O-] ZINC000262867039 135321510 /nfs/dbraw/zinc/32/15/10/135321510.db2.gz IHGJTXJKUQTLIG-NXEZZACHSA-N -1 3 242.319 0.792 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CC(F)(F)CN1 ZINC000263060087 135329958 /nfs/dbraw/zinc/32/99/58/135329958.db2.gz VGFPRUALYUWCMF-LURJTMIESA-N -1 3 243.213 0.723 20 0 BCADHM O=S(=O)([N-]c1ccncc1)c1ccoc1 ZINC000334364516 135372344 /nfs/dbraw/zinc/37/23/44/135372344.db2.gz GPGIDVCYDMOGMF-UHFFFAOYSA-N -1 3 224.241 0.897 20 0 BCADHM C[C@@]1(C[N-]S(=O)(=O)c2c[nH]cn2)CCOC1 ZINC000347016173 135476704 /nfs/dbraw/zinc/47/67/04/135476704.db2.gz DZLSFDUGOXVVCD-VIFPVBQESA-N -1 3 245.304 0.115 20 0 BCADHM CC[C@@H](NC(=O)c1c[n-]nn1)C(F)(F)F ZINC000348091074 136035119 /nfs/dbraw/zinc/03/51/19/136035119.db2.gz KIBVLHRDFLJOCX-RXMQYKEDSA-N -1 3 222.170 0.875 20 0 BCADHM CC[C@@H](NC(=O)c1cnn[n-]1)C(F)(F)F ZINC000348091074 136035120 /nfs/dbraw/zinc/03/51/20/136035120.db2.gz KIBVLHRDFLJOCX-RXMQYKEDSA-N -1 3 222.170 0.875 20 0 BCADHM CC[C@@H](NC(=O)c1cn[n-]n1)C(F)(F)F ZINC000348091074 136035121 /nfs/dbraw/zinc/03/51/21/136035121.db2.gz KIBVLHRDFLJOCX-RXMQYKEDSA-N -1 3 222.170 0.875 20 0 BCADHM Cn1[n-]c(CN2CCCC3(CCC3)C2)nc1=O ZINC000348183939 136043832 /nfs/dbraw/zinc/04/38/32/136043832.db2.gz VVYMGXUPGISYOC-UHFFFAOYSA-N -1 3 236.319 0.875 20 0 BCADHM COc1ccncc1CNC(=O)c1c[n-]nn1 ZINC000348268338 136058409 /nfs/dbraw/zinc/05/84/09/136058409.db2.gz DZGRIKMBWRLDHB-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1ccncc1CNC(=O)c1cnn[n-]1 ZINC000348268338 136058410 /nfs/dbraw/zinc/05/84/10/136058410.db2.gz DZGRIKMBWRLDHB-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1ccncc1CNC(=O)c1cn[n-]n1 ZINC000348268338 136058411 /nfs/dbraw/zinc/05/84/11/136058411.db2.gz DZGRIKMBWRLDHB-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM NC(=O)NCC(=O)N1CCCc2cccc([O-])c21 ZINC000335356238 136071454 /nfs/dbraw/zinc/07/14/54/136071454.db2.gz XVJYDXNPNXJHQW-UHFFFAOYSA-N -1 3 249.270 0.340 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C2CC(C)(F)C2)n1 ZINC000335401947 136084025 /nfs/dbraw/zinc/08/40/25/136084025.db2.gz DGSOQRBTJLRTGQ-UHFFFAOYSA-N -1 3 247.295 0.589 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)o1 ZINC000335549141 136097389 /nfs/dbraw/zinc/09/73/89/136097389.db2.gz GNHWMGXSZYPSOB-HTQZYQBOSA-N -1 3 231.273 0.390 20 0 BCADHM O=S(=O)([N-][C@@H]1CC[C@H]1O)c1cccs1 ZINC000335565861 136107493 /nfs/dbraw/zinc/10/74/93/136107493.db2.gz TWSAVJMQOBAASR-RNFRBKRXSA-N -1 3 233.314 0.550 20 0 BCADHM Cc1ccc([O-])c(CN(C)[C@H]2COC[C@@H]2O)n1 ZINC000348642734 136114801 /nfs/dbraw/zinc/11/48/01/136114801.db2.gz LEPDOJTYMRTMQW-JQWIXIFHSA-N -1 3 238.287 0.287 20 0 BCADHM O=c1[n-]nc(CN2C[C@H](O)C3(CC3)C2)s1 ZINC000367053925 136115845 /nfs/dbraw/zinc/11/58/45/136115845.db2.gz HPINVFDUIHRTQH-LURJTMIESA-N -1 3 227.289 0.200 20 0 BCADHM Cn1cnnc1NC(=O)c1cccc([O-])c1 ZINC000382374309 397941254 /nfs/dbraw/zinc/94/12/54/397941254.db2.gz JOKWLUMEXQONAG-UHFFFAOYSA-N -1 3 218.216 0.773 20 0 BCADHM Cc1nnc([N-]C(=O)C(F)(F)C(F)F)n1C ZINC000273168212 397992963 /nfs/dbraw/zinc/99/29/63/397992963.db2.gz LKEYDBBOGJWXEE-UHFFFAOYSA-N -1 3 240.160 0.962 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1ccco1)[C@@H]1CCOC1 ZINC000275492395 398021594 /nfs/dbraw/zinc/02/15/94/398021594.db2.gz PPWMIEBEOQHUNP-DTWKUNHWSA-N -1 3 245.300 0.983 20 0 BCADHM COCC[C@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000564907881 398048749 /nfs/dbraw/zinc/04/87/49/398048749.db2.gz YDSAODZDJAWTPK-QMMMGPOBSA-N -1 3 247.320 0.123 20 0 BCADHM CC(C)n1cnc([N-]C(=O)c2cn(C)nn2)n1 ZINC000650285499 398061180 /nfs/dbraw/zinc/06/11/80/398061180.db2.gz AADFXPDHOFIQPF-UHFFFAOYSA-N -1 3 235.251 0.240 20 0 BCADHM CC(=O)CCCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000647738243 398097944 /nfs/dbraw/zinc/09/79/44/398097944.db2.gz GTEXHMXXIYLPIN-UHFFFAOYSA-N -1 3 236.235 0.150 20 0 BCADHM Cc1ccc(C(=O)N[C@H](C)C(N)=O)c([O-])c1C ZINC000048401064 398110304 /nfs/dbraw/zinc/11/03/04/398110304.db2.gz UBILHSILOCTHEM-MRVPVSSYSA-N -1 3 236.271 0.613 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1C ZINC000091437570 398128345 /nfs/dbraw/zinc/12/83/45/398128345.db2.gz KMYWQUXADCJROL-ZJUUUORDSA-N -1 3 249.314 1.000 20 0 BCADHM CC(C)NC(=O)CNC(=O)c1ccccc1[O-] ZINC000035149988 167056691 /nfs/dbraw/zinc/05/66/91/167056691.db2.gz UOWGABKJSQOEPI-UHFFFAOYSA-N -1 3 236.271 0.647 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000530896988 322897931 /nfs/dbraw/zinc/89/79/31/322897931.db2.gz GWBFQAFCBYCXGA-UKKRHICBSA-N -1 3 249.314 0.661 20 0 BCADHM O=C(C[C@H]1NCc2ccccc21)Nc1nnn[n-]1 ZINC000662437520 409718734 /nfs/dbraw/zinc/71/87/34/409718734.db2.gz RYMONYSFSIBTAV-SECBINFHSA-N -1 3 244.258 0.373 20 0 BCADHM O=C(C[C@H]1NCc2ccccc21)Nc1nn[n-]n1 ZINC000662437520 409718740 /nfs/dbraw/zinc/71/87/40/409718740.db2.gz RYMONYSFSIBTAV-SECBINFHSA-N -1 3 244.258 0.373 20 0 BCADHM CC(C)Oc1cncc(NC(=O)c2cnn[n-]2)n1 ZINC000655407497 410211294 /nfs/dbraw/zinc/21/12/94/410211294.db2.gz WQUGBKYMJDZMJQ-UHFFFAOYSA-N -1 3 248.246 0.634 20 0 BCADHM CC(C)Oc1cncc(NC(=O)c2c[n-]nn2)n1 ZINC000655407497 410211303 /nfs/dbraw/zinc/21/13/03/410211303.db2.gz WQUGBKYMJDZMJQ-UHFFFAOYSA-N -1 3 248.246 0.634 20 0 BCADHM CC(C)Oc1cncc(NC(=O)c2cn[n-]n2)n1 ZINC000655407497 410211308 /nfs/dbraw/zinc/21/13/08/410211308.db2.gz WQUGBKYMJDZMJQ-UHFFFAOYSA-N -1 3 248.246 0.634 20 0 BCADHM CCC(CC)(C(=O)[O-])C(=O)NC[C@H](C)N(C)C ZINC000653304782 410875245 /nfs/dbraw/zinc/87/52/45/410875245.db2.gz WYZWFIYBOLFLOF-VIFPVBQESA-N -1 3 244.335 0.944 20 0 BCADHM CC(C)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000035137620 167056601 /nfs/dbraw/zinc/05/66/01/167056601.db2.gz FDYYRJXHISSTLX-UHFFFAOYSA-N -1 3 236.271 0.647 20 0 BCADHM CC(C)OC(=O)[C@@H](C)CNC(=O)c1c[n-]nn1 ZINC000172999619 167167092 /nfs/dbraw/zinc/16/70/92/167167092.db2.gz MTALYHLGLJGXCC-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM CC(C)OC(=O)[C@@H](C)CNC(=O)c1cnn[n-]1 ZINC000172999619 167167096 /nfs/dbraw/zinc/16/70/96/167167096.db2.gz MTALYHLGLJGXCC-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM CC(C)OC(=O)[C@@H](C)CNC(=O)c1cn[n-]n1 ZINC000172999619 167167097 /nfs/dbraw/zinc/16/70/97/167167097.db2.gz MTALYHLGLJGXCC-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM CC(C)OCCN1CCN(CCC(=O)[O-])CC1 ZINC000049260737 167232399 /nfs/dbraw/zinc/23/23/99/167232399.db2.gz IFUZFRBYGZTFND-UHFFFAOYSA-N -1 3 244.335 0.504 20 0 BCADHM CC(C)OCCS(=O)(=O)[N-]Cc1ccno1 ZINC000330749801 167251152 /nfs/dbraw/zinc/25/11/52/167251152.db2.gz UPBIUAVAIKWFCF-UHFFFAOYSA-N -1 3 248.304 0.519 20 0 BCADHM CC(C)[C@@H](C(=O)NCC(=O)[O-])N1CCCCC1 ZINC000033434831 167343046 /nfs/dbraw/zinc/34/30/46/167343046.db2.gz DQTCEIXNLVTLJG-NSHDSACASA-N -1 3 242.319 0.698 20 0 BCADHM CC(C)CCNC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000058059303 410934413 /nfs/dbraw/zinc/93/44/13/410934413.db2.gz MPFRACDPABDHLC-MRVPVSSYSA-N -1 3 241.291 0.137 20 0 BCADHM CCCN(C)CC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000653317599 410950348 /nfs/dbraw/zinc/95/03/48/410950348.db2.gz AAMGYGZTUAQDLH-UWVGGRQHSA-N -1 3 242.319 0.792 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1CC12CC2 ZINC000594019171 411144483 /nfs/dbraw/zinc/14/44/83/411144483.db2.gz CKFUGCBBYHIMIJ-ZCFIWIBFSA-N -1 3 235.243 0.935 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1CC12CC2 ZINC000594019171 411144484 /nfs/dbraw/zinc/14/44/84/411144484.db2.gz CKFUGCBBYHIMIJ-ZCFIWIBFSA-N -1 3 235.243 0.935 20 0 BCADHM O=S(=O)([N-][C@@H](CO)CCF)c1ccoc1 ZINC000651893928 411149303 /nfs/dbraw/zinc/14/93/03/411149303.db2.gz LMOTVBIXCFSMAC-SSDOTTSWSA-N -1 3 237.252 0.278 20 0 BCADHM CC(C)[C@H](CNC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000655565015 411153804 /nfs/dbraw/zinc/15/38/04/411153804.db2.gz IFEFZJDWCQNHSW-JTQLQIEISA-N -1 3 244.335 0.800 20 0 BCADHM CC(=O)NCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000192597281 411242445 /nfs/dbraw/zinc/24/24/45/411242445.db2.gz VXCNRFDPIDUGLG-UHFFFAOYSA-N -1 3 249.230 0.139 20 0 BCADHM CC(=O)NCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000192597281 411242448 /nfs/dbraw/zinc/24/24/48/411242448.db2.gz VXCNRFDPIDUGLG-UHFFFAOYSA-N -1 3 249.230 0.139 20 0 BCADHM CC(=O)NCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000192597281 411242451 /nfs/dbraw/zinc/24/24/51/411242451.db2.gz VXCNRFDPIDUGLG-UHFFFAOYSA-N -1 3 249.230 0.139 20 0 BCADHM CC(C)n1ccc([N-]S(C)(=O)=O)n1 ZINC000280863332 167766758 /nfs/dbraw/zinc/76/67/58/167766758.db2.gz CKWGKSJJWFFEFX-UHFFFAOYSA-N -1 3 203.267 0.836 20 0 BCADHM Cn1[n-]nnc1=N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656227431 411212985 /nfs/dbraw/zinc/21/29/85/411212985.db2.gz RCAIMELABDRUNE-UWVGGRQHSA-N -1 3 236.323 0.061 20 0 BCADHM Cc1ccccc1OCCNC(=O)c1c[n-]nn1 ZINC000049319558 411231103 /nfs/dbraw/zinc/23/11/03/411231103.db2.gz OHDLUPQEYKKFBO-UHFFFAOYSA-N -1 3 246.270 0.922 20 0 BCADHM Cc1ccccc1OCCNC(=O)c1cnn[n-]1 ZINC000049319558 411231106 /nfs/dbraw/zinc/23/11/06/411231106.db2.gz OHDLUPQEYKKFBO-UHFFFAOYSA-N -1 3 246.270 0.922 20 0 BCADHM Cc1ccccc1OCCNC(=O)c1cn[n-]n1 ZINC000049319558 411231111 /nfs/dbraw/zinc/23/11/11/411231111.db2.gz OHDLUPQEYKKFBO-UHFFFAOYSA-N -1 3 246.270 0.922 20 0 BCADHM COC1CC(CCN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000656472952 411276982 /nfs/dbraw/zinc/27/69/82/411276982.db2.gz RXBWTUBODOOVBX-UHFFFAOYSA-N -1 3 247.302 0.953 20 0 BCADHM OC[C@H](CN=c1ncnc2[nH][n-]cc1-2)CC1CC1 ZINC000656473451 411277408 /nfs/dbraw/zinc/27/74/08/411277408.db2.gz NTZQYWILUSHMDH-VIFPVBQESA-N -1 3 247.302 0.547 20 0 BCADHM COC[C@@H](CN1CCSC[C@H]1C(=O)[O-])OC ZINC000659789226 411278377 /nfs/dbraw/zinc/27/83/77/411278377.db2.gz ABHUJFGBJFGEQX-BDAKNGLRSA-N -1 3 249.332 0.150 20 0 BCADHM C[C@@]1(C(=O)[O-])CCCN1CCCS(C)(=O)=O ZINC000070652813 411284765 /nfs/dbraw/zinc/28/47/65/411284765.db2.gz GUGKNGMYWXICPK-JTQLQIEISA-N -1 3 249.332 0.360 20 0 BCADHM O=C([O-])CN(C[C@H](O)C(F)(F)F)C1CCC1 ZINC000659792726 411285468 /nfs/dbraw/zinc/28/54/68/411285468.db2.gz ZICIKYDGSRZHRR-ZETCQYMHSA-N -1 3 241.209 0.849 20 0 BCADHM C[C@]1(CNC(=O)c2c[n-]nn2)C[C@H]2C[C@H]2C1 ZINC000629059660 411293693 /nfs/dbraw/zinc/29/36/93/411293693.db2.gz TVUPWILMKQOLMA-VROVMSAKSA-N -1 3 220.276 0.971 20 0 BCADHM C[C@]1(CNC(=O)c2cnn[n-]2)C[C@H]2C[C@H]2C1 ZINC000629059660 411293698 /nfs/dbraw/zinc/29/36/98/411293698.db2.gz TVUPWILMKQOLMA-VROVMSAKSA-N -1 3 220.276 0.971 20 0 BCADHM C[C@]1(CNC(=O)c2cn[n-]n2)C[C@H]2C[C@H]2C1 ZINC000629059660 411293701 /nfs/dbraw/zinc/29/37/01/411293701.db2.gz TVUPWILMKQOLMA-VROVMSAKSA-N -1 3 220.276 0.971 20 0 BCADHM CC(C)c1nnc([N-]CC(=O)NCC2CC2)o1 ZINC000573796126 411303580 /nfs/dbraw/zinc/30/35/80/411303580.db2.gz ONRXFUZQKOSBLQ-UHFFFAOYSA-N -1 3 238.291 1.131 20 0 BCADHM CC/C=C\CNC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000652952200 411352405 /nfs/dbraw/zinc/35/24/05/411352405.db2.gz KIMPWOBUGYSXPK-WAYWQWQTSA-N -1 3 238.291 0.938 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCO[C@@](C)(C2CC2)C1 ZINC000656758475 411353427 /nfs/dbraw/zinc/35/34/27/411353427.db2.gz ZQDGPIOFFYWZLV-GZMMTYOYSA-N -1 3 213.277 0.960 20 0 BCADHM CC1(O)CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000084351991 168069234 /nfs/dbraw/zinc/06/92/34/168069234.db2.gz DVPGABORFDOKTL-UHFFFAOYSA-N -1 3 223.228 0.305 20 0 BCADHM CC1=C(C)CN(Cc2nc(=O)[n-][nH]2)CC1 ZINC000280710826 168085195 /nfs/dbraw/zinc/08/51/95/168085195.db2.gz JFLROVLDILWBBP-UHFFFAOYSA-N -1 3 208.265 0.640 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000330504764 168208579 /nfs/dbraw/zinc/20/85/79/168208579.db2.gz FMAKVMLMPBXDPL-UHFFFAOYSA-N -1 3 246.288 0.382 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000274344850 168208619 /nfs/dbraw/zinc/20/86/19/168208619.db2.gz JBAXPOHZZJQWCY-UHFFFAOYSA-N -1 3 246.288 0.549 20 0 BCADHM CCC(=O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000085632940 168209862 /nfs/dbraw/zinc/20/98/62/168209862.db2.gz BWQADIQTVYPJJV-UHFFFAOYSA-N -1 3 216.624 0.169 20 0 BCADHM Cn1cc(S(=O)(=O)[N-]CCC(C)(C)F)cn1 ZINC000657140863 411409700 /nfs/dbraw/zinc/40/97/00/411409700.db2.gz ZKAPEYWDMUQSPE-UHFFFAOYSA-N -1 3 249.311 0.837 20 0 BCADHM CCN1CC[C@H](Sc2n[n-]c(CO)n2)C1=O ZINC000657258537 411431795 /nfs/dbraw/zinc/43/17/95/411431795.db2.gz KWRIUQDJWNTQPX-LURJTMIESA-N -1 3 242.304 0.010 20 0 BCADHM COC(=O)CSc1ncc(C(=O)OC)[n-]1 ZINC000274907472 411438801 /nfs/dbraw/zinc/43/88/01/411438801.db2.gz JRPNLJGVVYRIPP-UHFFFAOYSA-N -1 3 230.245 0.461 20 0 BCADHM C[C@H](CCO)C[N-]S(=O)(=O)c1ccco1 ZINC000275475801 411440334 /nfs/dbraw/zinc/44/03/34/411440334.db2.gz MOQMIHQAWBRMGJ-MRVPVSSYSA-N -1 3 233.289 0.576 20 0 BCADHM CCn1cnnc1C[N-]c1nnc(C2CC2)o1 ZINC000341540673 411502518 /nfs/dbraw/zinc/50/25/18/411502518.db2.gz BNSKAZIHKIVUIS-UHFFFAOYSA-N -1 3 234.263 1.171 20 0 BCADHM CC(=O)NCCN(C)C(=O)c1cccc([O-])c1 ZINC000308289706 411504879 /nfs/dbraw/zinc/50/48/79/411504879.db2.gz GHXPFNKJSIIRLM-UHFFFAOYSA-N -1 3 236.271 0.600 20 0 BCADHM CC[C@@H](C(=O)NC[C@@H](C)C(=O)[O-])N(CC)CC ZINC000655559987 411507703 /nfs/dbraw/zinc/50/77/03/411507703.db2.gz GSQCKQLNCISRNC-ZJUUUORDSA-N -1 3 244.335 0.944 20 0 BCADHM CO[C@@](C)(CO)CNC(=O)c1cccc([O-])c1 ZINC000655204133 411515084 /nfs/dbraw/zinc/51/50/84/411515084.db2.gz HFSHLAARAIJELE-GFCCVEGCSA-N -1 3 239.271 0.519 20 0 BCADHM C[C@H](O)C1([N-]S(=O)(=O)c2cccs2)CC1 ZINC000660047773 411530969 /nfs/dbraw/zinc/53/09/69/411530969.db2.gz GHUOAQUTLDFESY-ZETCQYMHSA-N -1 3 247.341 0.940 20 0 BCADHM CCN1CN(C(=O)c2ccc([O-])c(C)c2)CC1=O ZINC000336442039 170026318 /nfs/dbraw/zinc/02/63/18/170026318.db2.gz QFAYZPOMOXVJPF-UHFFFAOYSA-N -1 3 248.282 0.962 20 0 BCADHM CCN1C[C@@H](NC(=O)c2ccccc2[O-])CC1=O ZINC000336234783 170031075 /nfs/dbraw/zinc/03/10/75/170031075.db2.gz HDHMZVZAPOTYFH-VIFPVBQESA-N -1 3 248.282 0.743 20 0 BCADHM CCNC(=O)CNCc1c(F)ccc([O-])c1F ZINC000352750686 170064419 /nfs/dbraw/zinc/06/44/19/170064419.db2.gz RDBLFRTWYVJREJ-UHFFFAOYSA-N -1 3 244.241 0.896 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2CCNC2=O)n1 ZINC000657526076 411543237 /nfs/dbraw/zinc/54/32/37/411543237.db2.gz ZLKXPIRFDOYTFC-QMMMGPOBSA-N -1 3 221.260 0.074 20 0 BCADHM CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000050253357 170137288 /nfs/dbraw/zinc/13/72/88/170137288.db2.gz JSHIQNJYNCOWCD-UHFFFAOYSA-N -1 3 203.267 0.027 20 0 BCADHM CCNc1nc(C(=O)[N-]c2nc[nH]n2)cs1 ZINC000177040856 170176448 /nfs/dbraw/zinc/17/64/48/170176448.db2.gz PRSBANGLKHECNZ-UHFFFAOYSA-N -1 3 238.276 0.945 20 0 BCADHM CCOC(=O)CNC(=O)c1cc(C)ccc1[O-] ZINC000037564013 170225005 /nfs/dbraw/zinc/22/50/05/170225005.db2.gz NVXMABKJYDYUSJ-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM CCOC(=O)[C@H](C)Sc1n[n-]c(COC)n1 ZINC000268471814 170269239 /nfs/dbraw/zinc/26/92/39/170269239.db2.gz IBVKZJZCGOOYID-LURJTMIESA-N -1 3 245.304 0.995 20 0 BCADHM CCOC(=O)c1ccc(NC(=O)CO)c([O-])c1 ZINC000271414786 170296417 /nfs/dbraw/zinc/29/64/17/170296417.db2.gz DULHDGJJEWWNIO-UHFFFAOYSA-N -1 3 239.227 0.500 20 0 BCADHM CCOCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095175804 170348022 /nfs/dbraw/zinc/34/80/22/170348022.db2.gz KBRADCIUMBYPGX-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM CCOCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095175804 170348023 /nfs/dbraw/zinc/34/80/23/170348023.db2.gz KBRADCIUMBYPGX-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM c1nc2n(n1)CCC[C@@H]2[N-]c1nnc(C2CC2)o1 ZINC000329351737 411707366 /nfs/dbraw/zinc/70/73/66/411707366.db2.gz DQOSVMICHRLAMN-QMMMGPOBSA-N -1 3 246.274 1.486 20 0 BCADHM COc1ccc(C(=O)[N-]c2nncs2)nn1 ZINC000348198142 411715377 /nfs/dbraw/zinc/71/53/77/411715377.db2.gz JDXLHUWRRLIOQI-UHFFFAOYSA-N -1 3 237.244 0.589 20 0 BCADHM CO[C@@H](C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647798630 411664289 /nfs/dbraw/zinc/66/42/89/411664289.db2.gz LRVCCAPBRCJIHM-LURJTMIESA-N -1 3 235.243 1.242 20 0 BCADHM Cc1ccc(NCCCc2c[n-][nH]c2=O)nn1 ZINC000631359917 411691937 /nfs/dbraw/zinc/69/19/37/411691937.db2.gz AGGMDMRHOCIBIH-SECBINFHSA-N -1 3 233.275 0.709 20 0 BCADHM COc1cccc(C[N-]c2nnco2)n1 ZINC000336740641 411737748 /nfs/dbraw/zinc/73/77/48/411737748.db2.gz UOSHJPXCBNMXOW-UHFFFAOYSA-N -1 3 206.205 1.085 20 0 BCADHM Cc1conc1C(=O)[N-]c1nc(N(C)C)n[nH]1 ZINC000633011757 411744621 /nfs/dbraw/zinc/74/46/21/411744621.db2.gz AWSMUUZFBNEIIV-UHFFFAOYSA-N -1 3 236.235 0.419 20 0 BCADHM COc1cnc(C(=O)[N-]c2nocc2C)nc1 ZINC000343236010 411763517 /nfs/dbraw/zinc/76/35/17/411763517.db2.gz WPPNSFSOOPSHAJ-UHFFFAOYSA-N -1 3 234.215 1.034 20 0 BCADHM Cc1nc([N-]C(=O)c2ccc(F)cn2)nn1C ZINC000355794345 411772924 /nfs/dbraw/zinc/77/29/24/411772924.db2.gz RCDZCTDIKXNHCL-UHFFFAOYSA-N -1 3 235.222 0.910 20 0 BCADHM COc1nnc(NC(=O)c2cc(C)ncn2)[n-]1 ZINC000543703292 411774640 /nfs/dbraw/zinc/77/46/40/411774640.db2.gz ZWGITFCPXGDYFK-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM COc1nc(NC(=O)c2cc(C)ncn2)n[n-]1 ZINC000543703292 411774642 /nfs/dbraw/zinc/77/46/42/411774642.db2.gz ZWGITFCPXGDYFK-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(C)ncn2)n1 ZINC000543703292 411774643 /nfs/dbraw/zinc/77/46/43/411774643.db2.gz ZWGITFCPXGDYFK-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM COc1nc(C)cc(NCc2ncccc2[O-])n1 ZINC000359898500 411774715 /nfs/dbraw/zinc/77/47/15/411774715.db2.gz KHFWXKPGSWRTEH-UHFFFAOYSA-N -1 3 246.270 1.506 20 0 BCADHM CCc1nnc([N-]C(=O)c2nccc(C)n2)s1 ZINC000330988499 411790329 /nfs/dbraw/zinc/79/03/29/411790329.db2.gz MBVUZBVLXHCUMJ-UHFFFAOYSA-N -1 3 249.299 1.451 20 0 BCADHM C[C@@H]([N-]c1noc(C(C)(C)C)n1)C(=O)N(C)C ZINC000357665727 411831939 /nfs/dbraw/zinc/83/19/39/411831939.db2.gz YFAPTFJOKHOTAY-SSDOTTSWSA-N -1 3 240.307 1.256 20 0 BCADHM CC1(C)C[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000381604794 411889234 /nfs/dbraw/zinc/88/92/34/411889234.db2.gz ICDBUOKOLGEULC-LURJTMIESA-N -1 3 218.264 0.519 20 0 BCADHM CO[C@H]1CC[C@H](N=c2nc3[nH][n-]cc-3c(N)n2)C1 ZINC000350685064 411897925 /nfs/dbraw/zinc/89/79/25/411897925.db2.gz NHOFANFYZHSDCZ-BQBZGAKWSA-N -1 3 248.290 0.288 20 0 BCADHM C[C@@H]1C[C@H](N=c2nc3[nH][n-]cc-3c(N)n2)CCO1 ZINC000354578656 411912492 /nfs/dbraw/zinc/91/24/92/411912492.db2.gz ZHNREGNOOTZTRQ-RNFRBKRXSA-N -1 3 248.290 0.288 20 0 BCADHM Nc1nc(=NCc2nccs2)nc2[nH][n-]cc1-2 ZINC000354524965 411924000 /nfs/dbraw/zinc/92/40/00/411924000.db2.gz DRJONBWVJDMUNM-UHFFFAOYSA-N -1 3 247.287 0.377 20 0 BCADHM O=c1cc(CN2CC[C@@H]3C[C@@H]3C2)nc2cc[n-]n21 ZINC000661971384 411927777 /nfs/dbraw/zinc/92/77/77/411927777.db2.gz NRWRRHVHSZANSY-NXEZZACHSA-N -1 3 244.298 0.864 20 0 BCADHM C[C@H]1CC[C@H](N=c2nc3[nH][n-]cc-3c(N)n2)C1 ZINC000443991465 411928950 /nfs/dbraw/zinc/92/89/50/411928950.db2.gz UVBWGSRMKGVOIV-BQBZGAKWSA-N -1 3 232.291 0.909 20 0 BCADHM C[C@]1(CN=c2nc3[nH][n-]cc-3c(N)n2)CCOC1 ZINC000544845261 411931583 /nfs/dbraw/zinc/93/15/83/411931583.db2.gz XYVYYCRJVNVVTM-LLVKDONJSA-N -1 3 248.290 0.147 20 0 BCADHM C[C@@H](F)CCN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000338747515 411883238 /nfs/dbraw/zinc/88/32/38/411883238.db2.gz CYBBYCCLBSNKKC-RXMQYKEDSA-N -1 3 224.243 0.469 20 0 BCADHM CC[C@H](C)CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420649494 411883358 /nfs/dbraw/zinc/88/33/58/411883358.db2.gz GCMSXACBESLAOI-LURJTMIESA-N -1 3 220.280 0.767 20 0 BCADHM CO[C@@]1(C)C[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000664606313 411996859 /nfs/dbraw/zinc/99/68/59/411996859.db2.gz UMBXBRXABUFBLV-XCBNKYQSSA-N -1 3 219.248 0.316 20 0 BCADHM CC[C@H](C)N(CC)CC(=O)NCC(=O)[O-] ZINC000662212215 412017544 /nfs/dbraw/zinc/01/75/44/412017544.db2.gz LFQULJRSIDOBMV-QMMMGPOBSA-N -1 3 216.281 0.308 20 0 BCADHM CC1(C)CCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662200353 412024351 /nfs/dbraw/zinc/02/43/51/412024351.db2.gz AKFGVPSWOVPOLT-VIFPVBQESA-N -1 3 240.303 0.546 20 0 BCADHM CC1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC000662200471 412024386 /nfs/dbraw/zinc/02/43/86/412024386.db2.gz IWUFVPAALXVXSJ-SNVBAGLBSA-N -1 3 240.303 0.404 20 0 BCADHM C[C@@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)C[C@H]1C ZINC000662202341 412024883 /nfs/dbraw/zinc/02/48/83/412024883.db2.gz AGYYMOBKVBCYOZ-OPRDCNLKSA-N -1 3 240.303 0.260 20 0 BCADHM C[C@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)C[C@H]1C ZINC000662202335 412025146 /nfs/dbraw/zinc/02/51/46/412025146.db2.gz AGYYMOBKVBCYOZ-AEJSXWLSSA-N -1 3 240.303 0.260 20 0 BCADHM C[C@@H]1C[C@H](C)N([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662202477 412025233 /nfs/dbraw/zinc/02/52/33/412025233.db2.gz BHDYFIGCEXSTNL-UTLUCORTSA-N -1 3 240.303 0.402 20 0 BCADHM CCCN(C1CC1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662212386 412026762 /nfs/dbraw/zinc/02/67/62/412026762.db2.gz WKTOIJUVIWXXQW-SNVBAGLBSA-N -1 3 240.303 0.546 20 0 BCADHM CC[C@H](C)N(CC)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662212949 412028326 /nfs/dbraw/zinc/02/83/26/412028326.db2.gz RCYSVMRFRAVTDS-UWVGGRQHSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H]1CCN1C(=O)C(=O)[N-]c1cnns1 ZINC000293254581 171016511 /nfs/dbraw/zinc/01/65/11/171016511.db2.gz FMLZVCRXZTXABR-ZCFIWIBFSA-N -1 3 240.288 0.488 20 0 BCADHM CC[C@H](C(=O)[N-]C1=NCCS1)C(=O)OC ZINC000276656140 171227613 /nfs/dbraw/zinc/22/76/13/171227613.db2.gz PRQYORUICXLWHN-ZCFIWIBFSA-N -1 3 230.289 0.405 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-]CC(F)(F)CN ZINC000336747443 171292547 /nfs/dbraw/zinc/29/25/47/171292547.db2.gz SCUYPZMWTBHCNY-ZETCQYMHSA-N -1 3 244.307 0.546 20 0 BCADHM CC[C@H](C)[C@@H](CNC(=O)c1c[n-]nn1)OC ZINC000294275155 171368986 /nfs/dbraw/zinc/36/89/86/171368986.db2.gz SEIFPNMHENTAIR-IONNQARKSA-N -1 3 226.280 0.596 20 0 BCADHM CC[C@H](C)[C@@H](CNC(=O)c1cnn[n-]1)OC ZINC000294275155 171368988 /nfs/dbraw/zinc/36/89/88/171368988.db2.gz SEIFPNMHENTAIR-IONNQARKSA-N -1 3 226.280 0.596 20 0 BCADHM CC[C@H](C)[C@@H](CNC(=O)c1cn[n-]n1)OC ZINC000294275155 171368991 /nfs/dbraw/zinc/36/89/91/171368991.db2.gz SEIFPNMHENTAIR-IONNQARKSA-N -1 3 226.280 0.596 20 0 BCADHM CC[C@H](C)[C@H](C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000111579984 171386060 /nfs/dbraw/zinc/38/60/60/171386060.db2.gz KMJMUCZHGJXUBC-YUMQZZPRSA-N -1 3 241.291 0.089 20 0 BCADHM CSc1ccc([O-])c(C(=O)NCCO)c1 ZINC000665096265 412091508 /nfs/dbraw/zinc/09/15/08/412091508.db2.gz ZELKKVFOXLNXTP-UHFFFAOYSA-N -1 3 227.285 0.836 20 0 BCADHM Cn1ccnc(NCc2nc(C3CC3)n[n-]2)c1=O ZINC000621322272 412135999 /nfs/dbraw/zinc/13/59/99/412135999.db2.gz PIUMRMALGSZPMZ-UHFFFAOYSA-N -1 3 246.274 0.388 20 0 BCADHM Cc1ccc(NC(=O)[C@@H]2CCNC2=O)c([O-])c1 ZINC000665202679 412136264 /nfs/dbraw/zinc/13/62/64/412136264.db2.gz LRIAEQYTXYJYME-MRVPVSSYSA-N -1 3 234.255 0.775 20 0 BCADHM O=C(Nc1cc(C(F)(F)F)[nH]n1)c1c[n-]nn1 ZINC000448513490 412349718 /nfs/dbraw/zinc/34/97/18/412349718.db2.gz GPJFXYPYCJFWAW-UHFFFAOYSA-N -1 3 246.152 0.799 20 0 BCADHM O=C(Nc1cc(C(F)(F)F)[nH]n1)c1cn[n-]n1 ZINC000448513490 412349722 /nfs/dbraw/zinc/34/97/22/412349722.db2.gz GPJFXYPYCJFWAW-UHFFFAOYSA-N -1 3 246.152 0.799 20 0 BCADHM O=C(Nc1cc(C(F)(F)F)[nH]n1)c1cnn[n-]1 ZINC000448513490 412349725 /nfs/dbraw/zinc/34/97/25/412349725.db2.gz GPJFXYPYCJFWAW-UHFFFAOYSA-N -1 3 246.152 0.799 20 0 BCADHM CCCNC(=O)C[N-]c1nnc(C(C)C)o1 ZINC000450223967 412356066 /nfs/dbraw/zinc/35/60/66/412356066.db2.gz QTRODRGBHIUBRT-UHFFFAOYSA-N -1 3 226.280 1.131 20 0 BCADHM Cc1cc(NC(=O)Cc2cncc([O-])c2)n[nH]1 ZINC000553337156 412359883 /nfs/dbraw/zinc/35/98/83/412359883.db2.gz ZTGPRKNDUMNETH-UHFFFAOYSA-N -1 3 232.243 1.000 20 0 BCADHM Cc1cc(NC(=O)NCc2ncccc2[O-])no1 ZINC000348439058 412372209 /nfs/dbraw/zinc/37/22/09/412372209.db2.gz GRKDQJWVMIRKBY-UHFFFAOYSA-N -1 3 248.242 1.405 20 0 BCADHM CN(C)CCNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663118205 412386268 /nfs/dbraw/zinc/38/62/68/412386268.db2.gz XVMBIUXCDGZFGY-SNVBAGLBSA-N -1 3 242.319 0.555 20 0 BCADHM CCc1ccc(C(=O)NCC(=O)NC)c([O-])c1 ZINC000188604422 171786080 /nfs/dbraw/zinc/78/60/80/171786080.db2.gz XTRAEVYDBQAXLZ-UHFFFAOYSA-N -1 3 236.271 0.430 20 0 BCADHM CNCC(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000663280897 412409158 /nfs/dbraw/zinc/40/91/58/412409158.db2.gz CMWLCCKCSDEGAH-UHFFFAOYSA-N -1 3 216.281 0.165 20 0 BCADHM CCc1ncc([N-]S(C)(=O)=O)cn1 ZINC000161919974 172023151 /nfs/dbraw/zinc/02/31/51/172023151.db2.gz MQVYMYUUOAUYPT-UHFFFAOYSA-N -1 3 201.251 0.411 20 0 BCADHM CCc1noc(C[N-]S(=O)(=O)CC)n1 ZINC000340194072 172085486 /nfs/dbraw/zinc/08/54/86/172085486.db2.gz IZABRQMWYWHFJW-UHFFFAOYSA-N -1 3 219.266 0.071 20 0 BCADHM CCc1noc([N-]Cc2ccn(C)n2)n1 ZINC000292848235 172089070 /nfs/dbraw/zinc/08/90/70/172089070.db2.gz VYPBRQABWQWFLM-UHFFFAOYSA-N -1 3 207.237 0.978 20 0 BCADHM CCc1ocnc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000293747448 172123209 /nfs/dbraw/zinc/12/32/09/172123209.db2.gz SDDUXOLVDGDKND-UHFFFAOYSA-N -1 3 235.247 0.926 20 0 BCADHM CCc1ocnc1C(=O)Nc1nnc(OC)[n-]1 ZINC000272448267 172123541 /nfs/dbraw/zinc/12/35/41/172123541.db2.gz JIFFQGNBPUCKHG-UHFFFAOYSA-N -1 3 237.219 0.616 20 0 BCADHM CCc1ocnc1C(=O)Nc1nc(OC)n[n-]1 ZINC000272448267 172123543 /nfs/dbraw/zinc/12/35/43/172123543.db2.gz JIFFQGNBPUCKHG-UHFFFAOYSA-N -1 3 237.219 0.616 20 0 BCADHM CCc1ocnc1C(=O)Nc1n[n-]c(OC)n1 ZINC000272448267 172123546 /nfs/dbraw/zinc/12/35/46/172123546.db2.gz JIFFQGNBPUCKHG-UHFFFAOYSA-N -1 3 237.219 0.616 20 0 BCADHM CCn1cc(C(=O)Nc2nnc(OC)[n-]2)cn1 ZINC000179373933 172157233 /nfs/dbraw/zinc/15/72/33/172157233.db2.gz TYARZRMSWTXHEP-UHFFFAOYSA-N -1 3 236.235 0.282 20 0 BCADHM CCn1cc(C(=O)Nc2n[n-]c(OC)n2)cn1 ZINC000179373933 172157236 /nfs/dbraw/zinc/15/72/36/172157236.db2.gz TYARZRMSWTXHEP-UHFFFAOYSA-N -1 3 236.235 0.282 20 0 BCADHM CCn1cc(C(=O)Nc2nc(OC)n[n-]2)cn1 ZINC000179373933 172157237 /nfs/dbraw/zinc/15/72/37/172157237.db2.gz TYARZRMSWTXHEP-UHFFFAOYSA-N -1 3 236.235 0.282 20 0 BCADHM CCn1cc(CN2CC[C@H](C(=O)[O-])C2)cn1 ZINC000062133261 172165782 /nfs/dbraw/zinc/16/57/82/172165782.db2.gz KWROIKYXMALLMR-JTQLQIEISA-N -1 3 223.276 0.810 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H]1CCCCO1 ZINC000285840791 172237878 /nfs/dbraw/zinc/23/78/78/172237878.db2.gz OTBWIPCKPOWCBU-QMMMGPOBSA-N -1 3 224.264 0.806 20 0 BCADHM CCn1cnnc1[N-]C(=O)C1(O)CCCC1 ZINC000285625316 172238212 /nfs/dbraw/zinc/23/82/12/172238212.db2.gz CRMIQMQTPBOZLS-UHFFFAOYSA-N -1 3 224.264 0.542 20 0 BCADHM CCn1cnnc1[N-]C(=O)C(C)(C)F ZINC000285668774 172238396 /nfs/dbraw/zinc/23/83/96/172238396.db2.gz FTXBHWOJNWGOPI-UHFFFAOYSA-N -1 3 200.217 0.985 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@](C)(O)C(C)C ZINC000330632024 172239541 /nfs/dbraw/zinc/23/95/41/172239541.db2.gz HCMQZHUTIAXRTN-SNVBAGLBSA-N -1 3 226.280 0.644 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H](O)C(C)C ZINC000285853004 172239992 /nfs/dbraw/zinc/23/99/92/172239992.db2.gz PJDDEUPLHVLCOU-SSDOTTSWSA-N -1 3 212.253 0.253 20 0 BCADHM CN(C(=O)CNC(=O)c1cccc([O-])c1)C1CC1 ZINC000275010422 172310380 /nfs/dbraw/zinc/31/03/80/172310380.db2.gz PVWRWDSUOMAYPQ-UHFFFAOYSA-N -1 3 248.282 0.743 20 0 BCADHM CN(C)C(=O)CC[N-]S(=O)(=O)c1ccco1 ZINC000188609820 172360062 /nfs/dbraw/zinc/36/00/62/172360062.db2.gz WYYZFBQJZBQABE-UHFFFAOYSA-N -1 3 246.288 0.036 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]OC/C=C/Cl ZINC000291777557 173026175 /nfs/dbraw/zinc/02/61/75/173026175.db2.gz JEEYUWHZCCRXPZ-RYEJSQLPSA-N -1 3 218.684 0.881 20 0 BCADHM CNC(=O)CC(=O)Nc1ccc([O-])cc1F ZINC000356907302 173233854 /nfs/dbraw/zinc/23/38/54/173233854.db2.gz AHQBSXJYGBPCHY-UHFFFAOYSA-N -1 3 226.207 0.606 20 0 BCADHM CNC(=O)CNC(=O)c1ccc([O-])c(C)c1 ZINC000227013746 173276598 /nfs/dbraw/zinc/27/65/98/173276598.db2.gz PTJORXQYNIYGJD-UHFFFAOYSA-N -1 3 222.244 0.176 20 0 BCADHM CNC(=O)[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227020184 173302447 /nfs/dbraw/zinc/30/24/47/173302447.db2.gz ZSNCSDAWNUDROD-QMMMGPOBSA-N -1 3 236.271 0.565 20 0 BCADHM CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000176956587 173311389 /nfs/dbraw/zinc/31/13/89/173311389.db2.gz IXKZJBOQHIIRMB-GFCCVEGCSA-N -1 3 247.254 0.101 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C[C@H]1C=CCC1 ZINC000297692176 173314857 /nfs/dbraw/zinc/31/48/57/173314857.db2.gz IWMHTAYOPANTRI-ZETCQYMHSA-N -1 3 249.274 0.459 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C[C@H]1C=CCC1 ZINC000297692176 173314858 /nfs/dbraw/zinc/31/48/58/173314858.db2.gz IWMHTAYOPANTRI-ZETCQYMHSA-N -1 3 249.274 0.459 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C[C@H]1C=CCC1 ZINC000297692176 173314859 /nfs/dbraw/zinc/31/48/59/173314859.db2.gz IWMHTAYOPANTRI-ZETCQYMHSA-N -1 3 249.274 0.459 20 0 BCADHM COCC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119827877 174058832 /nfs/dbraw/zinc/05/88/32/174058832.db2.gz LEJXVFKQEBKXGT-UHFFFAOYSA-N -1 3 235.247 0.395 20 0 BCADHM COCC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119827877 174058834 /nfs/dbraw/zinc/05/88/34/174058834.db2.gz LEJXVFKQEBKXGT-UHFFFAOYSA-N -1 3 235.247 0.395 20 0 BCADHM COCC1([N-]S(=O)(=O)c2c[nH]cn2)CCC1 ZINC000341115369 174111233 /nfs/dbraw/zinc/11/12/33/174111233.db2.gz GSJKYNWZEKPQFV-UHFFFAOYSA-N -1 3 245.304 0.257 20 0 BCADHM COCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095190688 174136496 /nfs/dbraw/zinc/13/64/96/174136496.db2.gz WSTBZMDZAPIIBB-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM COCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095190688 174136500 /nfs/dbraw/zinc/13/65/00/174136500.db2.gz WSTBZMDZAPIIBB-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM COCCC1(CNC(=O)c2c[n-]nn2)CCC1 ZINC000123817819 174154429 /nfs/dbraw/zinc/15/44/29/174154429.db2.gz IZINTZDTAOCNCY-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM COCCC1(CNC(=O)c2cnn[n-]2)CCC1 ZINC000123817819 174154431 /nfs/dbraw/zinc/15/44/31/174154431.db2.gz IZINTZDTAOCNCY-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM COCCC1(CNC(=O)c2cn[n-]n2)CCC1 ZINC000123817819 174154433 /nfs/dbraw/zinc/15/44/33/174154433.db2.gz IZINTZDTAOCNCY-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM COCCCCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000121826215 174183617 /nfs/dbraw/zinc/18/36/17/174183617.db2.gz LHHXITPQOBOLHK-UHFFFAOYSA-N -1 3 247.320 0.505 20 0 BCADHM COCCC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000339249572 174248947 /nfs/dbraw/zinc/24/89/47/174248947.db2.gz DUZOLULWVSFRER-UHFFFAOYSA-N -1 3 248.279 0.536 20 0 BCADHM COCCCOCC(=O)Nc1ncccc1[O-] ZINC000182498896 174254496 /nfs/dbraw/zinc/25/44/96/174254496.db2.gz ZNIWUZVDKBSSNY-UHFFFAOYSA-N -1 3 240.259 0.779 20 0 BCADHM COCCCO[N-]C(=O)Cc1[nH]cnc1C ZINC000287665630 174254759 /nfs/dbraw/zinc/25/47/59/174254759.db2.gz CYTCZFICNSZPTC-UHFFFAOYSA-N -1 3 227.264 0.345 20 0 BCADHM COCCCO[N-]C(=O)Cc1nc[nH]c1C ZINC000287665630 174254760 /nfs/dbraw/zinc/25/47/60/174254760.db2.gz CYTCZFICNSZPTC-UHFFFAOYSA-N -1 3 227.264 0.345 20 0 BCADHM COCCCO[N-]C(=O)C=Cc1c[nH]cn1 ZINC000286816445 174255229 /nfs/dbraw/zinc/25/52/29/174255229.db2.gz AFOWVHRMSPPOMK-ONEGZZNKSA-N -1 3 225.248 0.507 20 0 BCADHM COCCCONC(=O)c1c([O-])cccc1O ZINC000288330818 174256246 /nfs/dbraw/zinc/25/62/46/174256246.db2.gz VGLRWMJHRWVRCT-UHFFFAOYSA-N -1 3 241.243 0.796 20 0 BCADHM COCCCS(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000127148293 174258785 /nfs/dbraw/zinc/25/87/85/174258785.db2.gz OWZVJPZTWTWGCI-UHFFFAOYSA-N -1 3 245.304 0.492 20 0 BCADHM COCCCS(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000127148293 174258787 /nfs/dbraw/zinc/25/87/87/174258787.db2.gz OWZVJPZTWTWGCI-UHFFFAOYSA-N -1 3 245.304 0.492 20 0 BCADHM COCCNC(=O)c1ccc(OC)cc1[O-] ZINC000019837155 174328391 /nfs/dbraw/zinc/32/83/91/174328391.db2.gz WBWTVZYVSSSTSD-UHFFFAOYSA-N -1 3 225.244 0.777 20 0 BCADHM COCCS(=O)(=O)[N-]c1ccc(OC)nc1 ZINC000036187976 174373080 /nfs/dbraw/zinc/37/30/80/174373080.db2.gz LILUNIIGRYOUPA-UHFFFAOYSA-N -1 3 246.288 0.478 20 0 BCADHM COCC[C@@H](CO)NC(=O)c1ccccc1[O-] ZINC000281663015 174388898 /nfs/dbraw/zinc/38/88/98/174388898.db2.gz OMMDXLBYALOBQE-VIFPVBQESA-N -1 3 239.271 0.519 20 0 BCADHM CO[C@H](C)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000224116532 174835483 /nfs/dbraw/zinc/83/54/83/174835483.db2.gz VZSQOSHWHBPYNO-SSDOTTSWSA-N -1 3 248.279 0.534 20 0 BCADHM COc1nnc(NC(=O)c2ccc(OC)nc2)[n-]1 ZINC000129512406 175064693 /nfs/dbraw/zinc/06/46/93/175064693.db2.gz LAUMNXUSYLHCOE-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1nc(NC(=O)c2ccc(OC)nc2)n[n-]1 ZINC000129512406 175064695 /nfs/dbraw/zinc/06/46/95/175064695.db2.gz LAUMNXUSYLHCOE-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccc(OC)nc2)n1 ZINC000129512406 175064698 /nfs/dbraw/zinc/06/46/98/175064698.db2.gz LAUMNXUSYLHCOE-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1cccc(C(=O)NCCCCO)c1[O-] ZINC000193290345 175244664 /nfs/dbraw/zinc/24/46/64/175244664.db2.gz UMIQTOQZWTYUPL-UHFFFAOYSA-N -1 3 239.271 0.903 20 0 BCADHM COc1cccc(C(=O)NC[C@H](C)O)c1[O-] ZINC000035108083 175245372 /nfs/dbraw/zinc/24/53/72/175245372.db2.gz DYYVQFHKQYUAQJ-ZETCQYMHSA-N -1 3 225.244 0.511 20 0 BCADHM COc1nc(NC(=O)[C@H]2C[C@]23CCOC3)n[n-]1 ZINC000364090834 175388581 /nfs/dbraw/zinc/38/85/81/175388581.db2.gz ACMFUKRGJIZQGZ-LDWIPMOCSA-N -1 3 238.247 0.178 20 0 BCADHM COc1nnc(NC(=O)[C@H]2C[C@]23CCOC3)[n-]1 ZINC000364090834 175388582 /nfs/dbraw/zinc/38/85/82/175388582.db2.gz ACMFUKRGJIZQGZ-LDWIPMOCSA-N -1 3 238.247 0.178 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2C[C@]23CCOC3)n1 ZINC000364090834 175388583 /nfs/dbraw/zinc/38/85/83/175388583.db2.gz ACMFUKRGJIZQGZ-LDWIPMOCSA-N -1 3 238.247 0.178 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCCO[C@H]2C)[n-]1 ZINC000189931501 175393335 /nfs/dbraw/zinc/39/33/35/175393335.db2.gz ZIHWSQPPKZMKHL-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCCO[C@H]2C)n[n-]1 ZINC000189931501 175393336 /nfs/dbraw/zinc/39/33/36/175393336.db2.gz ZIHWSQPPKZMKHL-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCCO[C@H]2C)n1 ZINC000189931501 175393337 /nfs/dbraw/zinc/39/33/37/175393337.db2.gz ZIHWSQPPKZMKHL-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCO[C@@H](C)C2)[n-]1 ZINC000272399802 175393383 /nfs/dbraw/zinc/39/33/83/175393383.db2.gz DOXWVFWOOHUAIG-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCO[C@@H](C)C2)n[n-]1 ZINC000272399802 175393385 /nfs/dbraw/zinc/39/33/85/175393385.db2.gz DOXWVFWOOHUAIG-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCO[C@@H](C)C2)n1 ZINC000272399802 175393386 /nfs/dbraw/zinc/39/33/86/175393386.db2.gz DOXWVFWOOHUAIG-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)C2CC=CC2)[n-]1 ZINC000126840829 175394425 /nfs/dbraw/zinc/39/44/25/175394425.db2.gz HGXFTMXWMJPHSR-UHFFFAOYSA-N -1 3 208.221 0.718 20 0 BCADHM COc1nc(NC(=O)C2CC=CC2)n[n-]1 ZINC000126840829 175394427 /nfs/dbraw/zinc/39/44/27/175394427.db2.gz HGXFTMXWMJPHSR-UHFFFAOYSA-N -1 3 208.221 0.718 20 0 BCADHM COc1n[n-]c(NC(=O)C2CC=CC2)n1 ZINC000126840829 175394428 /nfs/dbraw/zinc/39/44/28/175394428.db2.gz HGXFTMXWMJPHSR-UHFFFAOYSA-N -1 3 208.221 0.718 20 0 BCADHM COc1nnc(NC(=O)C(F)(F)C(F)F)[n-]1 ZINC000226559885 175394952 /nfs/dbraw/zinc/39/49/52/175394952.db2.gz VUXNOOCHMCQWGL-UHFFFAOYSA-N -1 3 242.132 0.652 20 0 BCADHM COc1nc(NC(=O)C(F)(F)C(F)F)n[n-]1 ZINC000226559885 175394954 /nfs/dbraw/zinc/39/49/54/175394954.db2.gz VUXNOOCHMCQWGL-UHFFFAOYSA-N -1 3 242.132 0.652 20 0 BCADHM COc1n[n-]c(NC(=O)C(F)(F)C(F)F)n1 ZINC000226559885 175394955 /nfs/dbraw/zinc/39/49/55/175394955.db2.gz VUXNOOCHMCQWGL-UHFFFAOYSA-N -1 3 242.132 0.652 20 0 BCADHM COc1nnc(NC(=O)[C@H](OC)C2CC2)[n-]1 ZINC000281781707 175395123 /nfs/dbraw/zinc/39/51/23/175395123.db2.gz ZYSMOLVWFIKROY-ZCFIWIBFSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@H](OC)C2CC2)n[n-]1 ZINC000281781707 175395125 /nfs/dbraw/zinc/39/51/25/175395125.db2.gz ZYSMOLVWFIKROY-ZCFIWIBFSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](OC)C2CC2)n1 ZINC000281781707 175395127 /nfs/dbraw/zinc/39/51/27/175395127.db2.gz ZYSMOLVWFIKROY-ZCFIWIBFSA-N -1 3 226.236 0.177 20 0 BCADHM COc1ncccc1[N-]S(=O)(=O)N(C)C ZINC000151949627 175411226 /nfs/dbraw/zinc/41/12/26/175411226.db2.gz ZDQSPZCLQLULKX-UHFFFAOYSA-N -1 3 231.277 0.309 20 0 BCADHM C[C@@H]1CCCCN1Cc1nc(=O)n(C)[n-]1 ZINC000336435002 176073354 /nfs/dbraw/zinc/07/33/54/176073354.db2.gz NZSXYVUGCUWABC-MRVPVSSYSA-N -1 3 210.281 0.483 20 0 BCADHM C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)[O-] ZINC000336756528 176115228 /nfs/dbraw/zinc/11/52/28/176115228.db2.gz YOLRASABNRKOJQ-RKDXNWHRSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@@H]1CCC[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC000328675970 176150233 /nfs/dbraw/zinc/15/02/33/176150233.db2.gz RGNZCDCJDIEEGB-HTQZYQBOSA-N -1 3 210.281 0.387 20 0 BCADHM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC000336450124 176177841 /nfs/dbraw/zinc/17/78/41/176177841.db2.gz RREKBNGRFDORTO-SECBINFHSA-N -1 3 238.335 0.976 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)C[C@@H]1O ZINC000357490239 176262299 /nfs/dbraw/zinc/26/22/99/176262299.db2.gz REHORNHZKVBHOX-KCJUWKMLSA-N -1 3 221.256 0.845 20 0 BCADHM C[C@@H]1CN(Cc2n[n-]c(=O)s2)CCCO1 ZINC000367446389 176313243 /nfs/dbraw/zinc/31/32/43/176313243.db2.gz DRGUHIMTHRGKMA-SSDOTTSWSA-N -1 3 229.305 0.855 20 0 BCADHM C[C@@H]1CNCCN1C(=O)c1ncccc1[O-] ZINC000054369603 176326890 /nfs/dbraw/zinc/32/68/90/176326890.db2.gz IMCSEVXPCCPARV-MRVPVSSYSA-N -1 3 221.260 0.221 20 0 BCADHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000300884741 176341154 /nfs/dbraw/zinc/34/11/54/176341154.db2.gz SNNGHQCABHAPFJ-SFYZADRCSA-N -1 3 245.304 0.113 20 0 BCADHM C[C@H]1CC(=O)NCCN1C(=O)c1ccccc1[O-] ZINC000377180028 177062298 /nfs/dbraw/zinc/06/22/98/177062298.db2.gz XDJJWDQAXMVOAB-VIFPVBQESA-N -1 3 248.282 0.743 20 0 BCADHM C[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@H]1C ZINC000336397139 177103775 /nfs/dbraw/zinc/10/37/75/177103775.db2.gz BIMAPCVIISCKNU-IUCAKERBSA-N -1 3 224.308 0.729 20 0 BCADHM C[C@H]1CC[C@H](C(=O)NCc2ncccc2[O-])O1 ZINC000331024268 177196965 /nfs/dbraw/zinc/19/69/65/177196965.db2.gz SISNEXHNMSTABN-GZMMTYOYSA-N -1 3 236.271 0.971 20 0 BCADHM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H](C)N1C ZINC000339615599 177270402 /nfs/dbraw/zinc/27/04/02/177270402.db2.gz LGHPTNBDAQBKHX-YUMQZZPRSA-N -1 3 225.296 0.035 20 0 BCADHM C[C@H]1C[C@@H](N(C)C(=O)C(=O)[O-])CCN1C ZINC000336748669 177325504 /nfs/dbraw/zinc/32/55/04/177325504.db2.gz DMAKOPALXFPAEQ-YUMQZZPRSA-N -1 3 214.265 0.012 20 0 BCADHM C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)[O-] ZINC000332419248 177366242 /nfs/dbraw/zinc/36/62/42/177366242.db2.gz RINPFKBTJYQRPO-IUCAKERBSA-N -1 3 226.276 0.156 20 0 BCADHM C[C@H]1C[C@H]1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000331970617 177384641 /nfs/dbraw/zinc/38/46/41/177384641.db2.gz NEBNRNQTBIUFBC-NKWVEPMBSA-N -1 3 236.275 0.386 20 0 BCADHM C[C@@H]1Cc2ncn(Cc3nc(=O)[n-][nH]3)c2C[C@@H]1C ZINC000295185818 177387797 /nfs/dbraw/zinc/38/77/97/177387797.db2.gz QJJXWYHWZJPODA-SFYZADRCSA-N -1 3 247.302 0.714 20 0 BCADHM C[C@H]1Cc2ncn(Cc3nc(=O)[n-][nH]3)c2C[C@@H]1C ZINC000295185819 177391876 /nfs/dbraw/zinc/39/18/76/177391876.db2.gz QJJXWYHWZJPODA-YUMQZZPRSA-N -1 3 247.302 0.714 20 0 BCADHM Cn1nccc1/C=C\C(=O)[N-]O[C@H]1CCOC1 ZINC000492537042 226014787 /nfs/dbraw/zinc/01/47/87/226014787.db2.gz NSFQVFFPJRKIJW-ZMWSMAPVSA-N -1 3 237.259 0.270 20 0 BCADHM O=C(/C=C\c1ccncn1)[N-]OCC(F)F ZINC000492623440 226028612 /nfs/dbraw/zinc/02/86/12/226028612.db2.gz LLXCIZLBLHJPLO-UPHRSURJSA-N -1 3 229.186 0.803 20 0 BCADHM O=C(/C=C/c1cncc(F)c1)[N-]OCCO ZINC000492646202 226032599 /nfs/dbraw/zinc/03/25/99/226032599.db2.gz HHNVTMFHDSCIGX-OWOJBTEDSA-N -1 3 226.207 0.274 20 0 BCADHM O=C(/C=C\c1cccnc1)[N-]OCCO ZINC000492676974 226036208 /nfs/dbraw/zinc/03/62/08/226036208.db2.gz JAVAFUIEQKKHKL-ARJAWSKDSA-N -1 3 208.217 0.135 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]OC[C@H]1CCOC1 ZINC000492871296 226072268 /nfs/dbraw/zinc/07/22/68/226072268.db2.gz XGEOHIVMYPWVDM-VWCDRPFISA-N -1 3 237.259 0.507 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NC1(CCO)CC1 ZINC000492888943 226075678 /nfs/dbraw/zinc/07/56/78/226075678.db2.gz HVIDGKNDNZHMCN-UPHRSURJSA-N -1 3 248.282 0.832 20 0 BCADHM O=C(/C=C/c1cccnc1)[N-]OCCCO ZINC000492974396 226096027 /nfs/dbraw/zinc/09/60/27/226096027.db2.gz QYWHHLYAVZJUIK-SNAWJCMRSA-N -1 3 222.244 0.525 20 0 BCADHM Cn1nccc1/C=C\C(=O)[N-]OCC(F)F ZINC000492579982 226021642 /nfs/dbraw/zinc/02/16/42/226021642.db2.gz IRNOQNHOGXKROB-IHWYPQMZSA-N -1 3 231.202 0.746 20 0 BCADHM CCn1nccc1/C=C/C(=O)[N-]OCCCO ZINC000493535207 226241087 /nfs/dbraw/zinc/24/10/87/226241087.db2.gz ZQPPHNDKAVBHJG-SNAWJCMRSA-N -1 3 239.275 0.346 20 0 BCADHM Cc1cncc(/C=C\C(=O)[N-]OCCCO)c1 ZINC000493547760 226242201 /nfs/dbraw/zinc/24/22/01/226242201.db2.gz FOHKNNRMMDCNET-ARJAWSKDSA-N -1 3 236.271 0.833 20 0 BCADHM Cc1cccnc1/C=C/C(=O)[N-]OCCCO ZINC000493694493 226249574 /nfs/dbraw/zinc/24/95/74/226249574.db2.gz RYYCMUDGNFZFMU-AATRIKPKSA-N -1 3 236.271 0.833 20 0 BCADHM O=C(/C=C/c1ncc[nH]1)[N-]OCC(F)F ZINC000493848441 226256945 /nfs/dbraw/zinc/25/69/45/226256945.db2.gz QNUNXDRIHJLXEA-OWOJBTEDSA-N -1 3 217.175 0.736 20 0 BCADHM CCn1c(=O)[n-]nc1SC[C@@H]1COC(=O)N1 ZINC000496315952 226301585 /nfs/dbraw/zinc/30/15/85/226301585.db2.gz XYASEUZOVAREAF-YFKPBYRVSA-N -1 3 244.276 0.204 20 0 BCADHM C[C@@H](CO)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459369210 229170218 /nfs/dbraw/zinc/17/02/18/229170218.db2.gz FYZVKGWWHZCHOO-QMMMGPOBSA-N -1 3 237.303 0.872 20 0 BCADHM CN(C)CCNc1ncc(C(=O)[O-])s1 ZINC000087663661 487676001 /nfs/dbraw/zinc/67/60/01/487676001.db2.gz SUSQPGWFSSBQJT-UHFFFAOYSA-N -1 3 215.278 0.815 20 0 BCADHM CC1(C)CNCCN1C(=O)c1ncccc1[O-] ZINC000088138945 487705213 /nfs/dbraw/zinc/70/52/13/487705213.db2.gz IINSWZZGAYMZAJ-UHFFFAOYSA-N -1 3 235.287 0.611 20 0 BCADHM COCn1ccc(C(=O)[N-]c2nncs2)n1 ZINC000666726707 487717493 /nfs/dbraw/zinc/71/74/93/487717493.db2.gz HKAURMLBYLWNLJ-UHFFFAOYSA-N -1 3 239.260 0.591 20 0 BCADHM CC(C)(O)CCN1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903615490 584786859 /nfs/dbraw/zinc/78/68/59/584786859.db2.gz ZMSYZHKNALBGGJ-YUMQZZPRSA-N -1 3 219.256 0.644 20 0 BCADHM CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000250247227 487727952 /nfs/dbraw/zinc/72/79/52/487727952.db2.gz IBPFXKVXFOKTEU-IVZWLZJFSA-N -1 3 240.303 0.308 20 0 BCADHM CN1CC[C@@H](C(=O)Nc2ccccc2[O-])C1=O ZINC000681244619 487758495 /nfs/dbraw/zinc/75/84/95/487758495.db2.gz IHHMUPDIHGOOMT-QMMMGPOBSA-N -1 3 234.255 0.809 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCCCN1 ZINC000673475932 487762479 /nfs/dbraw/zinc/76/24/79/487762479.db2.gz CHTKEIYALZBUJG-UHFFFAOYSA-N -1 3 231.259 0.699 20 0 BCADHM CCOCCCC(=O)[N-]OCCCOC ZINC000805042252 585258770 /nfs/dbraw/zinc/25/87/70/585258770.db2.gz XJPCYMKSYVBMQD-UHFFFAOYSA-N -1 3 219.281 0.887 20 0 BCADHM O=C(CC1(O)CCCCC1)[N-]OCCO ZINC000776585495 585701934 /nfs/dbraw/zinc/70/19/34/585701934.db2.gz STPOABMZDFLISK-UHFFFAOYSA-N -1 3 217.265 0.112 20 0 BCADHM Cc1sc(C(N)=O)cc1[N-]S(C)(=O)=O ZINC000676076369 487809693 /nfs/dbraw/zinc/80/96/93/487809693.db2.gz PNUGPCBUPNCIOC-UHFFFAOYSA-N -1 3 234.302 0.527 20 0 BCADHM O=c1[n-]c(SCCN2CCCC2)n[nH]1 ZINC000789965518 585955044 /nfs/dbraw/zinc/95/50/44/585955044.db2.gz AFZUKZCCHMCEOA-UHFFFAOYSA-N -1 3 214.294 0.698 20 0 BCADHM CSC[C@H](C)C(=O)[N-]OCC(C)(C)O ZINC000798128775 586137854 /nfs/dbraw/zinc/13/78/54/586137854.db2.gz DOWNNBLYNPSYMH-ZETCQYMHSA-N -1 3 221.322 0.804 20 0 BCADHM CCn1ncnc1C[N-]C(=O)C(C)(F)F ZINC000808469205 586475684 /nfs/dbraw/zinc/47/56/84/586475684.db2.gz ZZRPUAIIWFGRGY-UHFFFAOYSA-N -1 3 218.207 0.569 20 0 BCADHM Cn1cc(NC([O-])=NOCC(F)F)nn1 ZINC000813012158 586589748 /nfs/dbraw/zinc/58/97/48/586589748.db2.gz VRVVYWBLBHQBHF-UHFFFAOYSA-N -1 3 221.167 0.133 20 0 BCADHM Cn1cc(NC(=O)[N-]OCC(F)F)nn1 ZINC000813012158 586589749 /nfs/dbraw/zinc/58/97/49/586589749.db2.gz VRVVYWBLBHQBHF-UHFFFAOYSA-N -1 3 221.167 0.133 20 0 BCADHM COCCN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828964496 587475869 /nfs/dbraw/zinc/47/58/69/587475869.db2.gz XEDXYBVQOAXLPV-MRVPVSSYSA-N -1 3 202.254 0.317 20 0 BCADHM CCCO[N-]C(=O)C[C@H]1CCC(=O)NC1 ZINC000844090352 588166446 /nfs/dbraw/zinc/16/64/46/588166446.db2.gz OEFUNACKKFMYNK-MRVPVSSYSA-N -1 3 214.265 0.361 20 0 BCADHM CCOC([O-])=NOC[C@H]1CCCNC1=O ZINC000496161446 529084515 /nfs/dbraw/zinc/08/45/15/529084515.db2.gz MYXQLWWETXNGGB-SSDOTTSWSA-N -1 3 216.237 0.190 20 0 BCADHM CCOC(=O)[N-]OC[C@H]1CCCNC1=O ZINC000496161446 529084517 /nfs/dbraw/zinc/08/45/17/529084517.db2.gz MYXQLWWETXNGGB-SSDOTTSWSA-N -1 3 216.237 0.190 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)CCC(N)=O ZINC000908353184 638663287 /nfs/dbraw/zinc/66/32/87/638663287.db2.gz SPMCUQNVAKYDAG-SSDOTTSWSA-N -1 3 202.254 0.346 20 0 BCADHM O=C(Nc1ccc2nccn2c1)c1nc[n-]n1 ZINC000676527950 487866024 /nfs/dbraw/zinc/86/60/24/487866024.db2.gz JMOLMMVDCDVMNR-UHFFFAOYSA-N -1 3 228.215 0.705 20 0 BCADHM C[C@H](O)Cn1[n-]c(=O)c2ccccc2c1=O ZINC000088282589 487887012 /nfs/dbraw/zinc/88/70/12/487887012.db2.gz MRWAHNURXUYZFA-ZETCQYMHSA-N -1 3 220.228 0.483 20 0 BCADHM COCCN(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000666884310 487897136 /nfs/dbraw/zinc/89/71/36/487897136.db2.gz JLZGOGGNYJXHQE-UHFFFAOYSA-N -1 3 249.270 0.987 20 0 BCADHM CN1CCC[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000682080999 487905002 /nfs/dbraw/zinc/90/50/02/487905002.db2.gz DALGXJOMILUUIC-SECBINFHSA-N -1 3 244.316 0.652 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1ccco1)C(C)(C)O ZINC000682082207 487906259 /nfs/dbraw/zinc/90/62/59/487906259.db2.gz VAHDIMFYMQGCCA-SSDOTTSWSA-N -1 3 233.289 0.717 20 0 BCADHM Cn1nccc1CN1CCC[C@]1(C)C(=O)[O-] ZINC000083417428 487908081 /nfs/dbraw/zinc/90/80/81/487908081.db2.gz WCTVSBOAOKSTAT-LLVKDONJSA-N -1 3 223.276 0.859 20 0 BCADHM C[C@H](NC(=O)c1cccc2nn[n-]c21)C(C)(C)O ZINC000682162591 487920483 /nfs/dbraw/zinc/92/04/83/487920483.db2.gz XIMCOUMDAJODHG-ZETCQYMHSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@H](NC(=O)c1cccc2[n-]nnc21)C(C)(C)O ZINC000682162591 487920485 /nfs/dbraw/zinc/92/04/85/487920485.db2.gz XIMCOUMDAJODHG-ZETCQYMHSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)C(C)(C)O ZINC000682162591 487920490 /nfs/dbraw/zinc/92/04/90/487920490.db2.gz XIMCOUMDAJODHG-ZETCQYMHSA-N -1 3 248.286 0.847 20 0 BCADHM O=C(NCC1(CO)CC1)c1cccc2nn[n-]c21 ZINC000682162994 487920655 /nfs/dbraw/zinc/92/06/55/487920655.db2.gz LTBVGBPDOQFDSQ-UHFFFAOYSA-N -1 3 246.270 0.460 20 0 BCADHM O=C(NCC1(CO)CC1)c1cccc2[n-]nnc21 ZINC000682162994 487920658 /nfs/dbraw/zinc/92/06/58/487920658.db2.gz LTBVGBPDOQFDSQ-UHFFFAOYSA-N -1 3 246.270 0.460 20 0 BCADHM O=C(NCC1(CO)CC1)c1cccc2n[n-]nc21 ZINC000682162994 487920659 /nfs/dbraw/zinc/92/06/59/487920659.db2.gz LTBVGBPDOQFDSQ-UHFFFAOYSA-N -1 3 246.270 0.460 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)S(C)(=O)=O)n1 ZINC000124421927 487922700 /nfs/dbraw/zinc/92/27/00/487922700.db2.gz RPNABKIVUOXBCF-ZCFIWIBFSA-N -1 3 216.262 0.184 20 0 BCADHM Cc1cc(C(=O)[N-]c2nnc(C)n2C)no1 ZINC000330831111 487934908 /nfs/dbraw/zinc/93/49/08/487934908.db2.gz QQTAFPSKVNXDCG-UHFFFAOYSA-N -1 3 221.220 0.672 20 0 BCADHM C[C@H]1CCN(c2nc3nncc-3c(O)[n-]2)[C@H]1CO ZINC000682396392 487946941 /nfs/dbraw/zinc/94/69/41/487946941.db2.gz UPCRWQHLYMKZGV-XPUUQOCRSA-N -1 3 249.274 0.266 20 0 BCADHM CO[C@H](CN1C[C@H](OC)C[C@H]1C(=O)[O-])C1CC1 ZINC000652476817 487953551 /nfs/dbraw/zinc/95/35/51/487953551.db2.gz GUJFRXMJYJAVQQ-OUAUKWLOSA-N -1 3 243.303 0.585 20 0 BCADHM CC1(C)CCN1C(=O)C(=O)[N-]c1cnns1 ZINC000569546141 322969656 /nfs/dbraw/zinc/96/96/56/322969656.db2.gz BQRVTONJQMTPGI-UHFFFAOYSA-N -1 3 240.288 0.488 20 0 BCADHM COC[C@](C)(O)C(=O)Nc1nc(C)ccc1[O-] ZINC000560010849 322981985 /nfs/dbraw/zinc/98/19/85/322981985.db2.gz DOSPAVBNSAGGFV-NSHDSACASA-N -1 3 240.259 0.432 20 0 BCADHM CC1(C)CN(Cc2ncccc2[O-])C[C@@H]1O ZINC000569625952 323000897 /nfs/dbraw/zinc/00/08/97/323000897.db2.gz WUGPFEOTVDONDE-NSHDSACASA-N -1 3 222.288 0.990 20 0 BCADHM CN(Cc1ncccc1[O-])CC(C)(C)O ZINC000561948040 323009226 /nfs/dbraw/zinc/00/92/26/323009226.db2.gz IRIGWOAGUOLNRB-UHFFFAOYSA-N -1 3 210.277 0.990 20 0 BCADHM CN1CN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1=O ZINC000562681356 323027120 /nfs/dbraw/zinc/02/71/20/323027120.db2.gz WBAQYGHIRCQMLW-UHFFFAOYSA-N -1 3 248.286 0.291 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C[C@H]1C[C@@H]1C ZINC000562698322 323028285 /nfs/dbraw/zinc/02/82/85/323028285.db2.gz FQPXYFRHRQSMOR-NTSWFWBYSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C[C@H]1C[C@@H]1C ZINC000562698322 323028286 /nfs/dbraw/zinc/02/82/86/323028286.db2.gz FQPXYFRHRQSMOR-NTSWFWBYSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C[C@H]1C[C@@H]1C ZINC000562698322 323028287 /nfs/dbraw/zinc/02/82/87/323028287.db2.gz FQPXYFRHRQSMOR-NTSWFWBYSA-N -1 3 237.263 0.149 20 0 BCADHM C[C@@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1CN(C)C ZINC000404906793 323031864 /nfs/dbraw/zinc/03/18/64/323031864.db2.gz GIUNEPKVFCPXAV-NXEZZACHSA-N -1 3 242.319 0.650 20 0 BCADHM Cc1ncc(CNC(=O)C(C)(C)CO)c(=O)[n-]1 ZINC000570177381 323052231 /nfs/dbraw/zinc/05/22/31/323052231.db2.gz ZPKXNPJVKPZHBE-UHFFFAOYSA-N -1 3 239.275 0.125 20 0 BCADHM CCC(=O)C1(C(=O)Nc2n[n-]c(OC)n2)CC1 ZINC000570397564 323058305 /nfs/dbraw/zinc/05/83/05/323058305.db2.gz FEUITNPHWJYYKV-UHFFFAOYSA-N -1 3 238.247 0.511 20 0 BCADHM CCC(=O)C1(C(=O)Nc2nnc(OC)[n-]2)CC1 ZINC000570397564 323058306 /nfs/dbraw/zinc/05/83/06/323058306.db2.gz FEUITNPHWJYYKV-UHFFFAOYSA-N -1 3 238.247 0.511 20 0 BCADHM CCC(=O)C1(C(=O)Nc2nc(OC)n[n-]2)CC1 ZINC000570397564 323058307 /nfs/dbraw/zinc/05/83/07/323058307.db2.gz FEUITNPHWJYYKV-UHFFFAOYSA-N -1 3 238.247 0.511 20 0 BCADHM Cn1cc([N-]S(C)(=O)=O)c(C2CC2)n1 ZINC000570741595 323069260 /nfs/dbraw/zinc/06/92/60/323069260.db2.gz UYOUECRZDSWLGL-UHFFFAOYSA-N -1 3 215.278 0.669 20 0 BCADHM CC[C@@H](NC(=O)[C@@H]1C[C@@H](C)CCN1)C(=O)[O-] ZINC000160638996 323074167 /nfs/dbraw/zinc/07/41/67/323074167.db2.gz FVRHUQWFVKPWFL-YIZRAAEISA-N -1 3 228.292 0.354 20 0 BCADHM CC[C@@H](NC(=O)[C@H]1C[C@H](C)CCN1)C(=O)[O-] ZINC000160638492 323074174 /nfs/dbraw/zinc/07/41/74/323074174.db2.gz FVRHUQWFVKPWFL-IWSPIJDZSA-N -1 3 228.292 0.354 20 0 BCADHM COc1nc(NC(=O)[C@@]2(C)CCCCO2)n[n-]1 ZINC000562999996 323078989 /nfs/dbraw/zinc/07/89/89/323078989.db2.gz WSGDDZJJYSLQMK-SNVBAGLBSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nnc(NC(=O)[C@@]2(C)CCCCO2)[n-]1 ZINC000562999996 323078990 /nfs/dbraw/zinc/07/89/90/323078990.db2.gz WSGDDZJJYSLQMK-SNVBAGLBSA-N -1 3 240.263 0.711 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@]2(C)CCCCO2)n1 ZINC000562999996 323078991 /nfs/dbraw/zinc/07/89/91/323078991.db2.gz WSGDDZJJYSLQMK-SNVBAGLBSA-N -1 3 240.263 0.711 20 0 BCADHM CO[C@H](C)C[N-]S(=O)(=O)c1cscn1 ZINC000563064051 323083879 /nfs/dbraw/zinc/08/38/79/323083879.db2.gz VRBHHYVDRACUNK-ZCFIWIBFSA-N -1 3 236.318 0.456 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)C1CC1 ZINC000531351386 323087988 /nfs/dbraw/zinc/08/79/88/323087988.db2.gz NJJVQVBSCFNPOL-OIBJUYFYSA-N -1 3 237.303 0.661 20 0 BCADHM Cc1csc(NC(=O)c2cnn[n-]2)n1 ZINC000048939250 323111642 /nfs/dbraw/zinc/11/16/42/323111642.db2.gz MHBIYSJNYNRXFW-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1csc(NC(=O)c2c[n-]nn2)n1 ZINC000048939250 323111643 /nfs/dbraw/zinc/11/16/43/323111643.db2.gz MHBIYSJNYNRXFW-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1csc(NC(=O)c2cn[n-]n2)n1 ZINC000048939250 323111644 /nfs/dbraw/zinc/11/16/44/323111644.db2.gz MHBIYSJNYNRXFW-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1ccnc(N2CCN(C)C[C@H](C(=O)[O-])C2)c1 ZINC000563538919 323130121 /nfs/dbraw/zinc/13/01/21/323130121.db2.gz LDCJWEAZOVYPEZ-NSHDSACASA-N -1 3 249.314 0.843 20 0 BCADHM C[C@@H]1CCN(CC(=O)Nc2nnn[n-]2)[C@H](C)C1 ZINC000571279305 323139990 /nfs/dbraw/zinc/13/99/90/323139990.db2.gz JMRDYGAHWYYBHF-HTQZYQBOSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@@H]1CCN(CC(=O)Nc2nn[n-]n2)[C@H](C)C1 ZINC000571279305 323139991 /nfs/dbraw/zinc/13/99/91/323139991.db2.gz JMRDYGAHWYYBHF-HTQZYQBOSA-N -1 3 238.295 0.259 20 0 BCADHM COCc1ccccc1CNC(=O)c1c[n-]nn1 ZINC000048891332 323155878 /nfs/dbraw/zinc/15/58/78/323155878.db2.gz SKTOBYKPSDDANA-UHFFFAOYSA-N -1 3 246.270 0.881 20 0 BCADHM COCc1ccccc1CNC(=O)c1cnn[n-]1 ZINC000048891332 323155879 /nfs/dbraw/zinc/15/58/79/323155879.db2.gz SKTOBYKPSDDANA-UHFFFAOYSA-N -1 3 246.270 0.881 20 0 BCADHM COCc1ccccc1CNC(=O)c1cn[n-]n1 ZINC000048891332 323155880 /nfs/dbraw/zinc/15/58/80/323155880.db2.gz SKTOBYKPSDDANA-UHFFFAOYSA-N -1 3 246.270 0.881 20 0 BCADHM COC[C@@](C)(O)C(=O)Nc1cc(F)ccc1[O-] ZINC000534699661 323159966 /nfs/dbraw/zinc/15/99/66/323159966.db2.gz HEVNTDYQTPCPLI-LLVKDONJSA-N -1 3 243.234 0.867 20 0 BCADHM COC(=O)[C@H]([N-]S(C)(=O)=O)C1CCCCC1 ZINC000532044313 323169280 /nfs/dbraw/zinc/16/92/80/323169280.db2.gz YZGSPSTUMWSYLA-SECBINFHSA-N -1 3 249.332 0.658 20 0 BCADHM Cn1cc(C[S@@](=O)c2ccc([O-])cc2)nn1 ZINC000535593462 323186612 /nfs/dbraw/zinc/18/66/12/323186612.db2.gz UNGRAMFXJSLJLI-MRXNPFEDSA-N -1 3 237.284 0.829 20 0 BCADHM CO[N-]C(=O)[C@@H]1CCCN(C(=O)OC)C1 ZINC000104236765 323263788 /nfs/dbraw/zinc/26/37/88/323263788.db2.gz FMSOITMGPOQAAS-SSDOTTSWSA-N -1 3 216.237 0.142 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(C)CC1 ZINC000532375854 323256198 /nfs/dbraw/zinc/25/61/98/323256198.db2.gz LGAPIGODHMGASX-MRVPVSSYSA-N -1 3 223.276 0.415 20 0 BCADHM Cc1ccc(C(=O)NCCCC(N)=O)c([O-])c1 ZINC000037503032 323289627 /nfs/dbraw/zinc/28/96/27/323289627.db2.gz ZKFRQJQKGXXGCZ-UHFFFAOYSA-N -1 3 236.271 0.696 20 0 BCADHM O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1nc[n-]n1 ZINC000526960160 323307441 /nfs/dbraw/zinc/30/74/41/323307441.db2.gz RWUWKFOOGLOSPB-SSDOTTSWSA-N -1 3 248.246 0.632 20 0 BCADHM Cc1ccc(C(=O)N[C@H](C)CC(N)=O)c([O-])c1 ZINC000135387454 323388877 /nfs/dbraw/zinc/38/88/77/323388877.db2.gz XDPGNQLOBMKHBG-MRVPVSSYSA-N -1 3 236.271 0.694 20 0 BCADHM Cc1nc([N-]C(=O)c2coc(C)n2)n[nH]1 ZINC000669952322 487958707 /nfs/dbraw/zinc/95/87/07/487958707.db2.gz BSRRSGNWLSEVAW-UHFFFAOYSA-N -1 3 207.193 0.662 20 0 BCADHM O=C(NCC[C@H]1CCCOC1)c1c[n-]nn1 ZINC000529603019 324360573 /nfs/dbraw/zinc/36/05/73/324360573.db2.gz UFODZAWRNGOABN-MRVPVSSYSA-N -1 3 224.264 0.351 20 0 BCADHM O=C(NCC[C@H]1CCCOC1)c1cnn[n-]1 ZINC000529603019 324360578 /nfs/dbraw/zinc/36/05/78/324360578.db2.gz UFODZAWRNGOABN-MRVPVSSYSA-N -1 3 224.264 0.351 20 0 BCADHM O=C(NCC[C@H]1CCCOC1)c1cn[n-]n1 ZINC000529603019 324360582 /nfs/dbraw/zinc/36/05/82/324360582.db2.gz UFODZAWRNGOABN-MRVPVSSYSA-N -1 3 224.264 0.351 20 0 BCADHM CCCOCn1cc(Cl)c(=O)[n-]c1=O ZINC000530108167 324472096 /nfs/dbraw/zinc/47/20/96/324472096.db2.gz WWNMQJXTMMWXRT-UHFFFAOYSA-N -1 3 218.640 0.986 20 0 BCADHM COC(=O)c1ccc([N-]S(C)(=O)=O)cn1 ZINC000542943170 325064991 /nfs/dbraw/zinc/06/49/91/325064991.db2.gz KNZHMRPJJJOKNU-UHFFFAOYSA-N -1 3 230.245 0.240 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cn[nH]c1 ZINC000131418117 325147196 /nfs/dbraw/zinc/14/71/96/325147196.db2.gz VGVYNGORQQOKKQ-UHFFFAOYSA-N -1 3 235.203 0.172 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccn[nH]1 ZINC000131415249 325147723 /nfs/dbraw/zinc/14/77/23/325147723.db2.gz OUGNYRJARGFAAH-UHFFFAOYSA-N -1 3 235.203 0.172 20 0 BCADHM CN(c1nc2[nH][n-]cc-2c(=N)n1)C1CCOCC1 ZINC000546886805 325315825 /nfs/dbraw/zinc/31/58/25/325315825.db2.gz JIQPJYZNFLCTIE-UHFFFAOYSA-N -1 3 248.290 0.332 20 0 BCADHM CCS(=O)(=O)[N-]Cc1nc([C@@H]2C[C@H]2C)no1 ZINC000547188706 325331613 /nfs/dbraw/zinc/33/16/13/325331613.db2.gz ZAXOSDILXXWLIY-RNFRBKRXSA-N -1 3 245.304 0.632 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccoc1 ZINC000547471508 325359912 /nfs/dbraw/zinc/35/99/12/325359912.db2.gz DECULKDHAKVGTO-SNVBAGLBSA-N -1 3 249.270 0.450 20 0 BCADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)NC2CC2)n1 ZINC000547473896 325360318 /nfs/dbraw/zinc/36/03/18/325360318.db2.gz JVRLARHYUCHOTI-RXMQYKEDSA-N -1 3 246.292 0.025 20 0 BCADHM Cn1cc(S(=O)(=O)[N-]CCCF)cn1 ZINC000134512027 325362828 /nfs/dbraw/zinc/36/28/28/325362828.db2.gz RNFMIBPLRIEVAL-UHFFFAOYSA-N -1 3 221.257 0.058 20 0 BCADHM Cc1cc(C(=O)N2C[C@@H](O)C3(CC3)C2)[n-]c(=O)n1 ZINC000547655750 325379888 /nfs/dbraw/zinc/37/98/88/325379888.db2.gz IAJINQCIEDIILK-SECBINFHSA-N -1 3 249.270 0.088 20 0 BCADHM Cc1cccc(C(=O)N[C@H](C)CC(N)=O)c1[O-] ZINC000135387855 325410283 /nfs/dbraw/zinc/41/02/83/325410283.db2.gz DDVRNYZSRRLPFK-MRVPVSSYSA-N -1 3 236.271 0.694 20 0 BCADHM C[C@]1(NC(=O)Cc2cncc([O-])c2)CCOC1 ZINC000553544103 325695580 /nfs/dbraw/zinc/69/55/80/325695580.db2.gz IAOSAENGBFCGBQ-LBPRGKRZSA-N -1 3 236.271 0.625 20 0 BCADHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000564786667 325808992 /nfs/dbraw/zinc/80/89/92/325808992.db2.gz MKEIQXHZHOORMM-SFYZADRCSA-N -1 3 245.304 0.256 20 0 BCADHM O=S(=O)([N-][C@@H]1CCC[C@@H]2C[C@@H]21)c1c[nH]cn1 ZINC000566962627 326097513 /nfs/dbraw/zinc/09/75/13/326097513.db2.gz JMHQUQIRBNMWJX-HRDYMLBCSA-N -1 3 241.316 0.877 20 0 BCADHM C[C@@H](C(=O)Nc1nnn[n-]1)N1[C@H](C)CC[C@H]1C ZINC000153777126 326113013 /nfs/dbraw/zinc/11/30/13/326113013.db2.gz VUCIHAQQACBNSW-PRJMDXOYSA-N -1 3 238.295 0.400 20 0 BCADHM C[C@@H](C(=O)Nc1nn[n-]n1)N1[C@H](C)CC[C@H]1C ZINC000153777126 326113016 /nfs/dbraw/zinc/11/30/16/326113016.db2.gz VUCIHAQQACBNSW-PRJMDXOYSA-N -1 3 238.295 0.400 20 0 BCADHM CCc1cc(N2CCO[C@H](C(=O)[O-])C2)ccn1 ZINC000307776342 326115585 /nfs/dbraw/zinc/11/55/85/326115585.db2.gz HQVYSTFCSBBYGX-NSHDSACASA-N -1 3 236.271 0.934 20 0 BCADHM O=c1[n-]c(=O)n(Cc2ccon2)cc1Cl ZINC000154410269 326143090 /nfs/dbraw/zinc/14/30/90/326143090.db2.gz BENDHCXNHBADMM-UHFFFAOYSA-N -1 3 227.607 0.226 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@H]3CC34CC4)c1-2 ZINC000569110092 326390702 /nfs/dbraw/zinc/39/07/02/326390702.db2.gz DSZIILVULRICCA-ZETCQYMHSA-N -1 3 201.233 0.691 20 0 BCADHM CCCN(CCN(C)C)C(=O)[C@@H](C)C(=O)[O-] ZINC000165506516 326423608 /nfs/dbraw/zinc/42/36/08/326423608.db2.gz OWXKCDIWHSNMDS-SECBINFHSA-N -1 3 230.308 0.507 20 0 BCADHM O=C1[N-]C(=O)c2cc(NCc3cn[nH]c3)ccc21 ZINC000671159557 487983785 /nfs/dbraw/zinc/98/37/85/487983785.db2.gz JEBIHIKCRPNSEC-UHFFFAOYSA-N -1 3 242.238 0.905 20 0 BCADHM O=S(=O)([N-]CC1(CO)CC1)c1ccco1 ZINC000682082035 487993297 /nfs/dbraw/zinc/99/32/97/487993297.db2.gz JQWHCMCOWBNOSL-UHFFFAOYSA-N -1 3 231.273 0.330 20 0 BCADHM CCC(CC)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC000396679500 487995726 /nfs/dbraw/zinc/99/57/26/487995726.db2.gz VRGMYKIXKBOFSE-UHFFFAOYSA-N -1 3 242.319 0.651 20 0 BCADHM OC[C@@H](CC1CC1)N=c1ncnc2[nH][n-]cc1-2 ZINC000677236576 488003705 /nfs/dbraw/zinc/00/37/05/488003705.db2.gz GMABSLOKIJLDAN-MRVPVSSYSA-N -1 3 233.275 0.299 20 0 BCADHM C[C@@H](CCCO)NC(=O)Cc1cncc([O-])c1 ZINC000655393379 488004157 /nfs/dbraw/zinc/00/41/57/488004157.db2.gz NJHNNOXJNQFANX-VIFPVBQESA-N -1 3 238.287 0.607 20 0 BCADHM COCC1(C[N-]S(=O)(=O)c2ccco2)CC1 ZINC000655637492 488010022 /nfs/dbraw/zinc/01/00/22/488010022.db2.gz AXLQHGDRAYBPPC-UHFFFAOYSA-N -1 3 245.300 0.985 20 0 BCADHM CC[C@H](C)[C@H](N)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000040483206 488029713 /nfs/dbraw/zinc/02/97/13/488029713.db2.gz GHZGTTOHXXFUDH-KWQFWETISA-N -1 3 242.319 0.683 20 0 BCADHM CCC[C@@](C)(N)C(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000044625426 488030263 /nfs/dbraw/zinc/03/02/63/488030263.db2.gz VRSQDDOIWMEDSZ-GZMMTYOYSA-N -1 3 230.308 0.826 20 0 BCADHM Cc1nc(C[N-]S(=O)(=O)C2COC2)cs1 ZINC000683142593 488117723 /nfs/dbraw/zinc/11/77/23/488117723.db2.gz LCTVGZGDUKYWOA-UHFFFAOYSA-N -1 3 248.329 0.270 20 0 BCADHM Cc1nccc(NC(=O)c2cnn[n-]2)c1Cl ZINC000679921887 487489883 /nfs/dbraw/zinc/48/98/83/487489883.db2.gz APWAJILWMWPCMT-UHFFFAOYSA-N -1 3 237.650 0.836 20 0 BCADHM Cc1nccc(NC(=O)c2c[n-]nn2)c1Cl ZINC000679921887 487489885 /nfs/dbraw/zinc/48/98/85/487489885.db2.gz APWAJILWMWPCMT-UHFFFAOYSA-N -1 3 237.650 0.836 20 0 BCADHM Cc1nccc(NC(=O)c2cn[n-]n2)c1Cl ZINC000679921887 487489890 /nfs/dbraw/zinc/48/98/90/487489890.db2.gz APWAJILWMWPCMT-UHFFFAOYSA-N -1 3 237.650 0.836 20 0 BCADHM CCNC(=O)CN(CC)Cc1ncccc1[O-] ZINC000685408215 487516460 /nfs/dbraw/zinc/51/64/60/487516460.db2.gz ZLQWTMXKGHDTDY-UHFFFAOYSA-N -1 3 237.303 0.745 20 0 BCADHM CO[C@@]1(CNCc2ncccc2[O-])CCOC1 ZINC000685427500 487520739 /nfs/dbraw/zinc/52/07/39/487520739.db2.gz NWMSINPXTOHJTG-GFCCVEGCSA-N -1 3 238.287 0.682 20 0 BCADHM C[C@H](CNC(=O)c1c[n-]nn1)c1ccncc1 ZINC000674130321 487524472 /nfs/dbraw/zinc/52/44/72/487524472.db2.gz WFDRFRKDVVWOSD-MRVPVSSYSA-N -1 3 231.259 0.733 20 0 BCADHM C[C@H](CNC(=O)c1cnn[n-]1)c1ccncc1 ZINC000674130321 487524476 /nfs/dbraw/zinc/52/44/76/487524476.db2.gz WFDRFRKDVVWOSD-MRVPVSSYSA-N -1 3 231.259 0.733 20 0 BCADHM C[C@H](CNC(=O)c1cn[n-]n1)c1ccncc1 ZINC000674130321 487524480 /nfs/dbraw/zinc/52/44/80/487524480.db2.gz WFDRFRKDVVWOSD-MRVPVSSYSA-N -1 3 231.259 0.733 20 0 BCADHM CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000233308037 487709237 /nfs/dbraw/zinc/70/92/37/487709237.db2.gz STPJXNYTRUUONX-HTQZYQBOSA-N -1 3 229.305 0.877 20 0 BCADHM CC[C@H](NC(=O)[C@@H]1NCCCC1(C)C)C(=O)[O-] ZINC000234039654 487758674 /nfs/dbraw/zinc/75/86/74/487758674.db2.gz AUIZDEIGRPKEOK-IUCAKERBSA-N -1 3 242.319 0.744 20 0 BCADHM O=C(NCc1cocn1)c1cccc2nn[n-]c21 ZINC000682160033 487919245 /nfs/dbraw/zinc/91/92/45/487919245.db2.gz OXQJZMJKXKAGAI-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM O=C(NCc1cocn1)c1cccc2[n-]nnc21 ZINC000682160033 487919247 /nfs/dbraw/zinc/91/92/47/487919247.db2.gz OXQJZMJKXKAGAI-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM O=C(NCc1cocn1)c1cccc2n[n-]nc21 ZINC000682160033 487919248 /nfs/dbraw/zinc/91/92/48/487919248.db2.gz OXQJZMJKXKAGAI-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C(C)(C)C(N)=O)n1 ZINC000683569750 488198955 /nfs/dbraw/zinc/19/89/55/488198955.db2.gz HMQTVPYHFCHHCF-UHFFFAOYSA-N -1 3 237.259 0.546 20 0 BCADHM CCN(C)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000672400575 488254064 /nfs/dbraw/zinc/25/40/64/488254064.db2.gz FQAREMJJGMQCJA-UHFFFAOYSA-N -1 3 236.275 0.612 20 0 BCADHM CN(C(=O)c1ccc2n[n-]nc2c1)C1(CO)CC1 ZINC000673497074 488291463 /nfs/dbraw/zinc/29/14/63/488291463.db2.gz PCDQRNQMPWTDAM-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM CN1CC[C@H](NC(=O)c2cccc([O-])c2)CC1=O ZINC000684488166 488321161 /nfs/dbraw/zinc/32/11/61/488321161.db2.gz YTEJAXNGFPXGFX-JTQLQIEISA-N -1 3 248.282 0.743 20 0 BCADHM CCOCCS(=O)(=O)[N-]C(C)(C)C(F)F ZINC000684599329 488330530 /nfs/dbraw/zinc/33/05/30/488330530.db2.gz HPVWGXONGKAHDX-UHFFFAOYSA-N -1 3 245.291 0.986 20 0 BCADHM Cc1cc[nH]c1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000684766788 488341054 /nfs/dbraw/zinc/34/10/54/488341054.db2.gz FUESZSYRLAYADU-VIFPVBQESA-N -1 3 248.286 0.565 20 0 BCADHM Nc1noc(CCNC(=O)c2cccc([O-])c2)n1 ZINC000357350796 490200833 /nfs/dbraw/zinc/20/08/33/490200833.db2.gz BDIMMTJJJWFLFA-UHFFFAOYSA-N -1 3 248.242 0.330 20 0 BCADHM O=c1nc(CO)[n-]c2sc3c(c21)CCC3 ZINC000021951405 490219654 /nfs/dbraw/zinc/21/96/54/490219654.db2.gz FNHQYRRXAQPCJD-UHFFFAOYSA-N -1 3 222.269 0.966 20 0 BCADHM Cc1cnc(SCCc2nnn[n-]2)nc1 ZINC000095345083 490227120 /nfs/dbraw/zinc/22/71/20/490227120.db2.gz SQKASSAOLQWUOK-UHFFFAOYSA-N -1 3 222.277 0.633 20 0 BCADHM Cc1cnc(SCCc2nn[n-]n2)nc1 ZINC000095345083 490227127 /nfs/dbraw/zinc/22/71/27/490227127.db2.gz SQKASSAOLQWUOK-UHFFFAOYSA-N -1 3 222.277 0.633 20 0 BCADHM C[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000080714428 490651040 /nfs/dbraw/zinc/65/10/40/490651040.db2.gz UIBAGESMULSINC-UHFFFAOYSA-N -1 3 203.267 0.441 20 0 BCADHM CCC[C@](C)(N)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000087513152 491089547 /nfs/dbraw/zinc/08/95/47/491089547.db2.gz MKCREEFPYAHZJA-SKDRFNHKSA-N -1 3 244.335 0.977 20 0 BCADHM Cn1ncc(C(=O)Nc2ncccc2[O-])c1N ZINC000082698078 491152660 /nfs/dbraw/zinc/15/26/60/491152660.db2.gz RBWOOTNOAQELIQ-UHFFFAOYSA-N -1 3 233.231 0.355 20 0 BCADHM CCn1nnnc1[N-]C(=O)C=C1CCC1 ZINC000891338422 582666127 /nfs/dbraw/zinc/66/61/27/582666127.db2.gz BDQOOVARAHPEAH-UHFFFAOYSA-N -1 3 207.237 0.742 20 0 BCADHM CC(=O)NCC(=O)N1CCCc2cccc([O-])c21 ZINC000063063822 534316059 /nfs/dbraw/zinc/31/60/59/534316059.db2.gz NEQAQBXRKBVODM-UHFFFAOYSA-N -1 3 248.282 0.808 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]OC[C@H]1CCOC1 ZINC000492871294 534803669 /nfs/dbraw/zinc/80/36/69/534803669.db2.gz XGEOHIVMYPWVDM-IYABHPQVSA-N -1 3 237.259 0.507 20 0 BCADHM CN1CC[C@@H](NC(=O)c2cccc([O-])c2)C1=O ZINC000227616028 536458231 /nfs/dbraw/zinc/45/82/31/536458231.db2.gz JBFGZWRUXOYZCQ-SNVBAGLBSA-N -1 3 234.255 0.353 20 0 BCADHM CCCO[N-]C(=O)/C=C\c1ccnn1C ZINC000493570507 528600608 /nfs/dbraw/zinc/60/06/08/528600608.db2.gz ZKVZXOGVECORPW-PLNGDYQASA-N -1 3 209.249 0.891 20 0 BCADHM CCOCCO[N-]C(=O)CCCNC(=O)OC ZINC000495506406 528816219 /nfs/dbraw/zinc/81/62/19/528816219.db2.gz BRZZSYMWBUJYMP-UHFFFAOYSA-N -1 3 248.279 0.207 20 0 BCADHM CC(C)N(C)CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262637830 534993977 /nfs/dbraw/zinc/99/39/77/534993977.db2.gz GRILNUFAJBXBTF-SNVBAGLBSA-N -1 3 242.319 0.792 20 0 BCADHM CCCn1c(=O)[n-]nc1SCC[C@H](C)O ZINC000134098525 535579901 /nfs/dbraw/zinc/57/99/01/535579901.db2.gz CHCFWGDPKXYAFK-ZETCQYMHSA-N -1 3 231.321 0.844 20 0 BCADHM CCCn1c(=O)[n-]nc1S[C@@H](C)[C@@H](C)O ZINC000087140137 535580142 /nfs/dbraw/zinc/58/01/42/535580142.db2.gz CRTQVEVYNCXHJW-RQJHMYQMSA-N -1 3 231.321 0.843 20 0 BCADHM CCC[C@H]1CN(CCC(=O)[O-])CCO1 ZINC000261530403 535739717 /nfs/dbraw/zinc/73/97/17/535739717.db2.gz ZNRYGDKBPOXHAY-VIFPVBQESA-N -1 3 201.266 0.962 20 0 BCADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C ZINC000180520415 535922686 /nfs/dbraw/zinc/92/26/86/535922686.db2.gz OVLDTWWTAKXIRQ-UHFFFAOYSA-N -1 3 247.272 0.537 20 0 BCADHM C[C@@H]1CN(c2cc(=O)[n-]cn2)[C@H](C)CN1C ZINC000893080857 583044426 /nfs/dbraw/zinc/04/44/26/583044426.db2.gz STUWTKYIXXNRNK-RKDXNWHRSA-N -1 3 222.292 0.711 20 0 BCADHM CCN1CCN(c2cc(=O)[n-]cn2)[C@@H](C)C1 ZINC000893824652 583229675 /nfs/dbraw/zinc/22/96/75/583229675.db2.gz ACGJKYZITYNCIF-VIFPVBQESA-N -1 3 222.292 0.713 20 0 BCADHM C[C@H]1CN(CC(=O)NCC2CC2)C[C@@H]1C(=O)[O-] ZINC000111254067 588737637 /nfs/dbraw/zinc/73/76/37/588737637.db2.gz FTDQBPQFTFDELB-WPRPVWTQSA-N -1 3 240.303 0.165 20 0 BCADHM Cn1c(=O)[n-]nc1SCCOC(F)F ZINC000853651607 588752357 /nfs/dbraw/zinc/75/23/57/588752357.db2.gz HWCDEJAJKMSPCN-UHFFFAOYSA-N -1 3 225.220 0.852 20 0 BCADHM CC(=O)[N-]OCCc1nnn(C(C)(C)C)n1 ZINC000853661664 588753688 /nfs/dbraw/zinc/75/36/88/588753688.db2.gz QWDADFGCQFBKKC-UHFFFAOYSA-N -1 3 227.268 0.038 20 0 BCADHM CCN1CC[C@@H](O[N-]C(=O)C(C)(C)C)C1=O ZINC000853664005 588753851 /nfs/dbraw/zinc/75/38/51/588753851.db2.gz GVAZWUIHODRSIN-MRVPVSSYSA-N -1 3 228.292 0.701 20 0 BCADHM CCOC([O-])=NOC[C@@H](COC)OC ZINC000853725877 588759761 /nfs/dbraw/zinc/75/97/61/588759761.db2.gz GOPIVKPOAOMAIZ-SSDOTTSWSA-N -1 3 207.226 0.326 20 0 BCADHM CCOC(=O)[N-]OC[C@@H](COC)OC ZINC000853725877 588759762 /nfs/dbraw/zinc/75/97/62/588759762.db2.gz GOPIVKPOAOMAIZ-SSDOTTSWSA-N -1 3 207.226 0.326 20 0 BCADHM O=C([O-])[C@]12COC[C@H]1CN(Cc1ccoc1)C2 ZINC000854242373 588781757 /nfs/dbraw/zinc/78/17/57/588781757.db2.gz JYRRNNNDQOHUAW-ZYHUDNBSSA-N -1 3 237.255 0.813 20 0 BCADHM CN1CCC(O[N-]C(=O)C2(O)CCC2)CC1 ZINC000854357790 588784793 /nfs/dbraw/zinc/78/47/93/588784793.db2.gz LTFAAYBKKJXGKZ-UHFFFAOYSA-N -1 3 228.292 0.043 20 0 BCADHM CC[C@H](CO)C(=O)[N-]OC1CCN(C)CC1 ZINC000854357824 588784894 /nfs/dbraw/zinc/78/48/94/588784894.db2.gz MLFNEJCWPQSRJD-SECBINFHSA-N -1 3 230.308 0.147 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@]1(C)CCOC1=O ZINC000854529077 588790646 /nfs/dbraw/zinc/79/06/46/588790646.db2.gz CIOMZJFEJPADQX-MRVPVSSYSA-N -1 3 221.203 0.854 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H]1COC(=O)C1 ZINC000854557307 588794401 /nfs/dbraw/zinc/79/44/01/588794401.db2.gz JUBBFFAIOXSJOQ-VWCDRPFISA-N -1 3 248.238 0.232 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000854690821 588801754 /nfs/dbraw/zinc/80/17/54/588801754.db2.gz MGKJNZJFRWFSLM-BXKDBHETSA-N -1 3 242.319 0.411 20 0 BCADHM COCCCOCCC(=O)[N-]OC(C)C ZINC000854753354 588805501 /nfs/dbraw/zinc/80/55/01/588805501.db2.gz BYGGXLAWHGYMHY-UHFFFAOYSA-N -1 3 219.281 0.886 20 0 BCADHM CCOC(=O)[C@H](CC(=O)[N-]OC(C)C)C(C)=O ZINC000854753971 588805720 /nfs/dbraw/zinc/80/57/20/588805720.db2.gz IOYSAKDKCBVRDQ-SECBINFHSA-N -1 3 245.275 0.601 20 0 BCADHM CON1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000854862164 588814298 /nfs/dbraw/zinc/81/42/98/588814298.db2.gz QVYNZJOALIFMLC-UHFFFAOYSA-N -1 3 236.271 0.711 20 0 BCADHM CC[C@@H]([N-]C(=O)C(F)(F)CC)C(=O)NC ZINC000854894161 588815553 /nfs/dbraw/zinc/81/55/53/588815553.db2.gz QGSSDYAUZXLRRJ-ZCFIWIBFSA-N -1 3 222.235 0.673 20 0 BCADHM CCC(F)(F)C(=O)[N-]C1(C(=O)N(C)C)CC1 ZINC000854932397 588817033 /nfs/dbraw/zinc/81/70/33/588817033.db2.gz HLKJHXDBRDSVPB-UHFFFAOYSA-N -1 3 234.246 0.769 20 0 BCADHM CN(C)CCO[N-]C(=O)CCC(F)F ZINC000854945187 588817828 /nfs/dbraw/zinc/81/78/28/588817828.db2.gz JJCJUDGARSFPSI-UHFFFAOYSA-N -1 3 210.224 0.641 20 0 BCADHM CN(C)CCO[N-]C(=O)C[C@@H]1CCCOC1 ZINC000854945338 588818153 /nfs/dbraw/zinc/81/81/53/588818153.db2.gz NIVIVXJJYJPMKS-JTQLQIEISA-N -1 3 230.308 0.413 20 0 BCADHM C[C@@H](C(=O)[N-]OCCN(C)C)c1ccnn1C ZINC000854947306 588818305 /nfs/dbraw/zinc/81/83/05/588818305.db2.gz PUHDXCHKMFBPQA-SECBINFHSA-N -1 3 240.307 0.133 20 0 BCADHM O=C(NCC[C@@H](O)C1CC1)c1cc(=O)[n-]cn1 ZINC000890712835 582512030 /nfs/dbraw/zinc/51/20/30/582512030.db2.gz BMGGNZCSEGGLCF-SECBINFHSA-N -1 3 237.259 0.073 20 0 BCADHM CCn1ccc(NC(=O)c2n[n-]nc2C)n1 ZINC000855559544 588839229 /nfs/dbraw/zinc/83/92/29/588839229.db2.gz DCBVJJJZDXYVHW-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM O=C1[N-]C(=O)N2CCN(CCCC3CC3)C[C@H]12 ZINC000813336356 582607853 /nfs/dbraw/zinc/60/78/53/582607853.db2.gz FQBULDQQVFIDNQ-SNVBAGLBSA-N -1 3 237.303 0.413 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@H](C)c1cnn(C)c1 ZINC000891338332 582666548 /nfs/dbraw/zinc/66/65/48/582666548.db2.gz AAYCHBXQEPEVGR-ZETCQYMHSA-N -1 3 249.278 0.169 20 0 BCADHM CCC[C@@H](OC)C(=O)[N-]c1nnnn1CC ZINC000891339528 582666719 /nfs/dbraw/zinc/66/67/19/582666719.db2.gz FKTCWCSJABQFNU-SSDOTTSWSA-N -1 3 227.268 0.447 20 0 BCADHM CCOC1CC(C(=O)[N-]c2nnnn2CC)C1 ZINC000891340944 582666984 /nfs/dbraw/zinc/66/69/84/582666984.db2.gz VUXURSDYKLJSKL-UHFFFAOYSA-N -1 3 239.279 0.447 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H]1CCSC1 ZINC000891339274 582667226 /nfs/dbraw/zinc/66/72/26/582667226.db2.gz FRNVVURUZSKLOB-LURJTMIESA-N -1 3 227.293 0.385 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@H](C)C1CC1 ZINC000891341196 582667580 /nfs/dbraw/zinc/66/75/80/582667580.db2.gz VXNJWUHPOGXHAY-LURJTMIESA-N -1 3 209.253 0.678 20 0 BCADHM CCn1nnnc1[N-]C(=O)CSC(F)F ZINC000891341078 582667665 /nfs/dbraw/zinc/66/76/65/582667665.db2.gz YZJMWIWGTZWHTH-UHFFFAOYSA-N -1 3 237.235 0.587 20 0 BCADHM O=C(N[C@@H]1C[C@H](O)c2ccccc21)c1c[n-]nn1 ZINC000855717780 588845848 /nfs/dbraw/zinc/84/58/48/588845848.db2.gz URTJZNVHLQMNHV-KOLCDFICSA-N -1 3 244.254 0.713 20 0 BCADHM O=C(N[C@@H]1C[C@H](O)c2ccccc21)c1cnn[n-]1 ZINC000855717780 588845849 /nfs/dbraw/zinc/84/58/49/588845849.db2.gz URTJZNVHLQMNHV-KOLCDFICSA-N -1 3 244.254 0.713 20 0 BCADHM O=C(N[C@@H]1C[C@H](O)c2ccccc21)c1cn[n-]n1 ZINC000855717780 588845850 /nfs/dbraw/zinc/84/58/50/588845850.db2.gz URTJZNVHLQMNHV-KOLCDFICSA-N -1 3 244.254 0.713 20 0 BCADHM Cc1nc(N2CCOC[C@@H]2C)cc(=O)[n-]1 ZINC000891755516 582717272 /nfs/dbraw/zinc/71/72/72/582717272.db2.gz WYXLHOHDDOIYDS-ZETCQYMHSA-N -1 3 209.249 0.716 20 0 BCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1c1cc(=O)[n-]cn1 ZINC000891892150 582735747 /nfs/dbraw/zinc/73/57/47/582735747.db2.gz CMZVFNMHEVMDJP-HTQZYQBOSA-N -1 3 236.275 0.272 20 0 BCADHM O=C1OCCN1CCCNc1cc(=O)[n-]cn1 ZINC000892319229 582842020 /nfs/dbraw/zinc/84/20/20/582842020.db2.gz YESPFZBVBYOMMF-UHFFFAOYSA-N -1 3 238.247 0.436 20 0 BCADHM O=C([N-]OCCN1CCCC1=O)[C@@H]1CC12CC2 ZINC000856044985 588858217 /nfs/dbraw/zinc/85/82/17/588858217.db2.gz FYJIWAIQMZWLDG-VIFPVBQESA-N -1 3 238.287 0.457 20 0 BCADHM CS/C=C/C(=O)[N-]OCCN1CCCC1=O ZINC000856041053 588858236 /nfs/dbraw/zinc/85/82/36/588858236.db2.gz IWMVHJMICJSRRV-XBXARRHUSA-N -1 3 244.316 0.533 20 0 BCADHM C[C@@H](C(=O)[N-]OCCN(C)C)c1ccncc1 ZINC000868629599 582882842 /nfs/dbraw/zinc/88/28/42/582882842.db2.gz QPWXRGPCVJXBLG-SNVBAGLBSA-N -1 3 237.303 0.795 20 0 BCADHM COCCOC[C@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000892678064 582951501 /nfs/dbraw/zinc/95/15/01/582951501.db2.gz WWWKXTHELJZJES-QMMMGPOBSA-N -1 3 241.291 0.954 20 0 BCADHM O=c1cc(N(CCO)Cc2cccnc2)nc[n-]1 ZINC000892687886 582955933 /nfs/dbraw/zinc/95/59/33/582955933.db2.gz UYCRBQPJAIMQSW-UHFFFAOYSA-N -1 3 246.270 0.576 20 0 BCADHM C[C@H]([N-]C(=O)C(F)F)c1nccn1C ZINC000856275380 588866310 /nfs/dbraw/zinc/86/63/10/588866310.db2.gz BJYRVBSBFPOUCK-YFKPBYRVSA-N -1 3 203.192 0.862 20 0 BCADHM Cc1nc(N[C@@H]2C=C[C@H](CO)C2)cc(=O)[n-]1 ZINC000892786854 582982909 /nfs/dbraw/zinc/98/29/09/582982909.db2.gz VQMOFCYOKHTMNA-DTWKUNHWSA-N -1 3 221.260 0.840 20 0 BCADHM CC(C)C(=O)[N-]OCCN1CCCC1=O ZINC000856037250 588858184 /nfs/dbraw/zinc/85/81/84/588858184.db2.gz GOFFMNKOGGITPZ-UHFFFAOYSA-N -1 3 214.265 0.313 20 0 BCADHM Cc1nc(N[C@H]2CC(=O)N(C3CC3)C2)cc(=O)[n-]1 ZINC000892802575 582986084 /nfs/dbraw/zinc/98/60/84/582986084.db2.gz TXUSYRXHTNUGQR-QMMMGPOBSA-N -1 3 248.286 0.666 20 0 BCADHM O=c1cc(NCCCO[C@@H]2CCOC2)nc[n-]1 ZINC000892886848 583003642 /nfs/dbraw/zinc/00/36/42/583003642.db2.gz YMOLBIQKMZGQSA-SECBINFHSA-N -1 3 239.275 0.790 20 0 BCADHM O=C([N-][C@H]1C[C@H](O)C1)C(F)(F)C(F)F ZINC000856394951 588871499 /nfs/dbraw/zinc/87/14/99/588871499.db2.gz VLHCLHHDZJXQPN-JPYJGEKTSA-N -1 3 215.146 0.526 20 0 BCADHM CC(=O)N1CCN(c2cc(=O)[n-]cn2)[C@@H](C)C1 ZINC000892936047 583012158 /nfs/dbraw/zinc/01/21/58/583012158.db2.gz NGINBHMMTPAKGZ-QMMMGPOBSA-N -1 3 236.275 0.239 20 0 BCADHM Cn1ccnc1[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000892984383 583025657 /nfs/dbraw/zinc/02/56/57/583025657.db2.gz BZVWROMBFOGPIA-SECBINFHSA-N -1 3 245.286 0.910 20 0 BCADHM Cn1cc([C@@H](CO)Nc2cc(=O)[n-]cn2)cn1 ZINC000892995425 583026943 /nfs/dbraw/zinc/02/69/43/583026943.db2.gz RIYOMLXNCRDOEW-MRVPVSSYSA-N -1 3 235.247 0.061 20 0 BCADHM CN(CCc1cnccn1)c1cc(=O)[n-]cn1 ZINC000893090143 583047514 /nfs/dbraw/zinc/04/75/14/583047514.db2.gz SGSWRYLHBFPVDM-UHFFFAOYSA-N -1 3 231.259 0.651 20 0 BCADHM Cn1c(CNc2cc(=O)[n-]cn2)nnc1C1CC1 ZINC000893100598 583049669 /nfs/dbraw/zinc/04/96/69/583049669.db2.gz PKPRTERRPHZYCD-UHFFFAOYSA-N -1 3 246.274 0.800 20 0 BCADHM CCO[C@H]1COCC[C@H]1Nc1cc(=O)[n-]cn1 ZINC000893169069 583063071 /nfs/dbraw/zinc/06/30/71/583063071.db2.gz WVJIMZVTXVCVRG-BDAKNGLRSA-N -1 3 239.275 0.788 20 0 BCADHM COCc1nc(NCC(F)(F)CO)cc(=O)[n-]1 ZINC000893213563 583072254 /nfs/dbraw/zinc/07/22/54/583072254.db2.gz FZKVTHKVEFVGGN-UHFFFAOYSA-N -1 3 249.217 0.368 20 0 BCADHM C/C=C/C[C@@H](CO)Nc1cc(=O)[n-]cn1 ZINC000893228737 583074747 /nfs/dbraw/zinc/07/47/47/583074747.db2.gz DUFOFZHUPSYOIY-SGJFDWMWSA-N -1 3 209.249 0.921 20 0 BCADHM COCCO[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000893369883 583129666 /nfs/dbraw/zinc/12/96/66/583129666.db2.gz IWHXALQITQOYKN-VIFPVBQESA-N -1 3 239.275 0.424 20 0 BCADHM O=C(NCc1c[nH]nn1)c1c([O-])cccc1F ZINC000398397302 583130781 /nfs/dbraw/zinc/13/07/81/583130781.db2.gz MAOBDSZRJXOJMO-UHFFFAOYSA-N -1 3 236.206 0.579 20 0 BCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H](C(=O)[O-])C1 ZINC000218288706 583173191 /nfs/dbraw/zinc/17/31/91/583173191.db2.gz YKXBTHPGOIWAHO-DTWKUNHWSA-N -1 3 242.319 0.696 20 0 BCADHM CC[C@H](C)NC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000223834797 583181824 /nfs/dbraw/zinc/18/18/24/583181824.db2.gz NHTVGEQYMNHNPE-UTLUCORTSA-N -1 3 242.319 0.554 20 0 BCADHM O=c1cc(NC[C@H](CO)[C@H]2CCOC2)nc[n-]1 ZINC000893642228 583184157 /nfs/dbraw/zinc/18/41/57/583184157.db2.gz MUSMBHBIRLMAEA-DTWKUNHWSA-N -1 3 239.275 0.239 20 0 BCADHM O=c1cc(N[C@H](CO)C2CCOCC2)nc[n-]1 ZINC000893642236 583184262 /nfs/dbraw/zinc/18/42/62/583184262.db2.gz NAQAZDNXOWDVFK-SECBINFHSA-N -1 3 239.275 0.382 20 0 BCADHM COC(=O)[C@H]1[C@@H]2CN(c3cc(=O)[n-]cn3)C[C@@H]21 ZINC000893951552 583260391 /nfs/dbraw/zinc/26/03/91/583260391.db2.gz WUNYFCFXAPRAGV-MTBHXBHISA-N -1 3 235.243 0.037 20 0 BCADHM CO[C@@H]1COCC[C@H]1CNc1cc(=O)[n-]cn1 ZINC000894045181 583286686 /nfs/dbraw/zinc/28/66/86/583286686.db2.gz DDEHQIKUBNMXHA-DTWKUNHWSA-N -1 3 239.275 0.646 20 0 BCADHM Cc1nc(C(=O)[N-]N2CCCNC2=O)c(C)[nH]1 ZINC000857174994 588891855 /nfs/dbraw/zinc/89/18/55/588891855.db2.gz ZQTLJCMFWCWWOS-UHFFFAOYSA-N -1 3 237.263 0.087 20 0 BCADHM CCS(=O)(=O)CCCNc1cc(=O)[n-]cn1 ZINC000894212808 583378496 /nfs/dbraw/zinc/37/84/96/583378496.db2.gz DAFCLIDFEUMPLY-UHFFFAOYSA-N -1 3 245.304 0.419 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCc1ncc[nH]1 ZINC000857284389 588902863 /nfs/dbraw/zinc/90/28/63/588902863.db2.gz JIJHQXLKVHPPRY-UHFFFAOYSA-N -1 3 227.264 0.161 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000857284019 588902974 /nfs/dbraw/zinc/90/29/74/588902974.db2.gz SXEGIAYYQPDNRT-YIZRAAEISA-N -1 3 241.287 0.420 20 0 BCADHM C[C@H]1COCC[C@H]1C(=O)[N-]OC(C)(C)CO ZINC000857284286 588903071 /nfs/dbraw/zinc/90/30/71/588903071.db2.gz FNQOIBJKEIQNLY-DTWKUNHWSA-N -1 3 231.292 0.478 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCCn1cccn1 ZINC000857284668 588903122 /nfs/dbraw/zinc/90/31/22/588903122.db2.gz DWWFJOWGKZMKII-UHFFFAOYSA-N -1 3 241.291 0.482 20 0 BCADHM Cc1ccc(CC(=O)[N-]OC(C)(C)CO)cn1 ZINC000857284495 588903193 /nfs/dbraw/zinc/90/31/93/588903193.db2.gz BASPQVLUCQOPJJ-UHFFFAOYSA-N -1 3 238.287 0.751 20 0 BCADHM Cc1nc(N2CN(C)C(=O)[C@H]2C)cc(=O)[n-]1 ZINC000894362186 583437958 /nfs/dbraw/zinc/43/79/58/583437958.db2.gz BMMIBENQBQENCH-ZCFIWIBFSA-N -1 3 222.248 0.115 20 0 BCADHM O=c1cc([C@H]2CCN(c3cnccn3)C2)[n-][nH]1 ZINC000894373397 583441150 /nfs/dbraw/zinc/44/11/50/583441150.db2.gz RRZKKUINJKZRKX-QMMMGPOBSA-N -1 3 231.259 0.899 20 0 BCADHM Cc1nc(N[C@@H](CO)CCF)cc(=O)[n-]1 ZINC000894404989 583450458 /nfs/dbraw/zinc/45/04/58/583450458.db2.gz WMLOHDDKTFFHQS-SSDOTTSWSA-N -1 3 215.228 0.623 20 0 BCADHM COCc1nc(N[C@@H](CO)CCF)cc(=O)[n-]1 ZINC000894403424 583450669 /nfs/dbraw/zinc/45/06/69/583450669.db2.gz OPVULEYHRPYKOZ-SSDOTTSWSA-N -1 3 245.254 0.461 20 0 BCADHM CCOCCC(=O)[N-]OC(C)(C)CO ZINC000857284749 588903383 /nfs/dbraw/zinc/90/33/83/588903383.db2.gz IFTILHFWVXZVPZ-UHFFFAOYSA-N -1 3 205.254 0.232 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)c1cccnc1F ZINC000857286272 588903838 /nfs/dbraw/zinc/90/38/38/588903838.db2.gz WRWHAWFXFJYNCQ-VIFPVBQESA-N -1 3 242.250 0.899 20 0 BCADHM COCCCCC(=O)[N-]O[C@H](CO)C(C)C ZINC000857286423 588903962 /nfs/dbraw/zinc/90/39/62/588903962.db2.gz AJIUAQIXBKRGGQ-SNVBAGLBSA-N -1 3 233.308 0.868 20 0 BCADHM COCCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000857286440 588904155 /nfs/dbraw/zinc/90/41/55/588904155.db2.gz AYDODOBBIDQLED-QMMMGPOBSA-N -1 3 205.254 0.088 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1CCOC[C@H]1C ZINC000857286037 588904194 /nfs/dbraw/zinc/90/41/94/588904194.db2.gz QLGBIWZASUTOCY-VWYCJHECSA-N -1 3 245.319 0.724 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CCc1ncc[nH]1 ZINC000857285644 588904264 /nfs/dbraw/zinc/90/42/64/588904264.db2.gz HXZHKRARSZKAKJ-VIFPVBQESA-N -1 3 241.291 0.407 20 0 BCADHM CN(CC1=CCCOC1)c1cc(=O)[n-]cn1 ZINC000894549431 583482884 /nfs/dbraw/zinc/48/28/84/583482884.db2.gz DKETZJJQRDPMQW-UHFFFAOYSA-N -1 3 221.260 0.965 20 0 BCADHM Cc1nc(N2CCC[C@@H]2[C@@H](C)O)cc(=O)[n-]1 ZINC000894573335 583486978 /nfs/dbraw/zinc/48/69/78/583486978.db2.gz WXYJLNZYYXCSFB-VXNVDRBHSA-N -1 3 223.276 0.840 20 0 BCADHM COC[C@@H](CO)NCc1c(F)ccc([O-])c1F ZINC000894621221 583493555 /nfs/dbraw/zinc/49/35/55/583493555.db2.gz TXGIMAOGEACZNZ-SSDOTTSWSA-N -1 3 247.241 0.767 20 0 BCADHM COC[C@H](CO)NCc1c(F)ccc([O-])c1F ZINC000894621222 583493615 /nfs/dbraw/zinc/49/36/15/583493615.db2.gz TXGIMAOGEACZNZ-ZETCQYMHSA-N -1 3 247.241 0.767 20 0 BCADHM CN(CCNc1cc(=O)[n-]cn1)CC(F)F ZINC000894830676 583527704 /nfs/dbraw/zinc/52/77/04/583527704.db2.gz QUZGKOWVGPIIJW-UHFFFAOYSA-N -1 3 232.234 0.791 20 0 BCADHM COCCN1CCC(N(C)C(=O)[O-])CC1 ZINC000738063262 583533131 /nfs/dbraw/zinc/53/31/31/583533131.db2.gz BQHDNORDNLATQH-UHFFFAOYSA-N -1 3 216.281 0.707 20 0 BCADHM Cc1cncnc1N1CCC(c2nnn[n-]2)CC1 ZINC000895005531 583566038 /nfs/dbraw/zinc/56/60/38/583566038.db2.gz FCODKFYHBFVZRZ-UHFFFAOYSA-N -1 3 245.290 0.682 20 0 BCADHM Cc1cncnc1N1CCC(c2nn[n-]n2)CC1 ZINC000895005531 583566039 /nfs/dbraw/zinc/56/60/39/583566039.db2.gz FCODKFYHBFVZRZ-UHFFFAOYSA-N -1 3 245.290 0.682 20 0 BCADHM Cc1nc(N2CCCn3nncc3C2)cc(=O)[n-]1 ZINC000895202949 583624342 /nfs/dbraw/zinc/62/43/42/583624342.db2.gz VIWQVUJZAFYMDF-UHFFFAOYSA-N -1 3 246.274 0.492 20 0 BCADHM CO[N-]C(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1 ZINC000895622095 583697315 /nfs/dbraw/zinc/69/73/15/583697315.db2.gz GOUMYXRAOLOWST-IUCAKERBSA-N -1 3 245.275 0.365 20 0 BCADHM COCc1nc(NC[C@H]2CCN2C)cc(=O)[n-]1 ZINC000895766550 583718867 /nfs/dbraw/zinc/71/88/67/583718867.db2.gz FJIXHHJVHIWXJE-MRVPVSSYSA-N -1 3 238.291 0.445 20 0 BCADHM O=C1C[C@@H](CCNc2cc(=O)[n-]cn2)CN1 ZINC000896132882 583774490 /nfs/dbraw/zinc/77/44/90/583774490.db2.gz CDFYFTJMRIFULM-SSDOTTSWSA-N -1 3 222.248 0.120 20 0 BCADHM CCn1ccnc(NCc2cncc([O-])c2)c1=O ZINC000896632567 583818497 /nfs/dbraw/zinc/81/84/97/583818497.db2.gz QTHZWFXHIJIFQE-UHFFFAOYSA-N -1 3 246.270 0.976 20 0 BCADHM CO[N-]C(=O)CNC1CC(OC(C)(C)C)C1 ZINC000896927681 583859703 /nfs/dbraw/zinc/85/97/03/583859703.db2.gz UEOXBNCZURTAMF-UHFFFAOYSA-N -1 3 230.308 0.600 20 0 BCADHM COc1nn(C)cc1CNc1cc(=O)[n-]c(C)n1 ZINC000897242422 583901096 /nfs/dbraw/zinc/90/10/96/583901096.db2.gz UJUKOYWUHAYSSZ-UHFFFAOYSA-N -1 3 249.274 0.845 20 0 BCADHM CC[C@@H](O)CN1CCCN(C(=O)[O-])CC1 ZINC000737787370 583920446 /nfs/dbraw/zinc/92/04/46/583920446.db2.gz RVSIHVUYSAGSCF-SECBINFHSA-N -1 3 216.281 0.443 20 0 BCADHM CCc1nocc1C(=O)[N-]c1nnn(C)n1 ZINC000889625485 583968711 /nfs/dbraw/zinc/96/87/11/583968711.db2.gz LSRLJMNSGNMTPI-UHFFFAOYSA-N -1 3 222.208 0.013 20 0 BCADHM CC(=O)c1ccc(C(=O)N2CC[C@@H]2CO)cc1[O-] ZINC000889152321 583970034 /nfs/dbraw/zinc/97/00/34/583970034.db2.gz PMYXCYYMQPIXCM-SNVBAGLBSA-N -1 3 249.266 0.802 20 0 BCADHM C[C@@H]1CO[C@H](C(=O)[N-]OC2CCN(C)CC2)C1 ZINC000897675256 584035481 /nfs/dbraw/zinc/03/54/81/584035481.db2.gz WIQUAHANOWLLCW-ONGXEEELSA-N -1 3 242.319 0.553 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C1CSC1 ZINC000897786111 584048305 /nfs/dbraw/zinc/04/83/05/584048305.db2.gz QOCDEAJKFDGOTF-UHFFFAOYSA-N -1 3 233.289 0.350 20 0 BCADHM COCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205961 584091428 /nfs/dbraw/zinc/09/14/28/584091428.db2.gz SZOVWZTWDJPWEQ-SSDOTTSWSA-N -1 3 225.248 0.078 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)c1cccnc1 ZINC000898728442 584155918 /nfs/dbraw/zinc/15/59/18/584155918.db2.gz KODPFMLEJTWFAQ-SNVBAGLBSA-N -1 3 246.270 0.323 20 0 BCADHM CCC1(C(=O)NCCCc2c[n-][nH]c2=O)CC1 ZINC000898733619 584155922 /nfs/dbraw/zinc/15/59/22/584155922.db2.gz SDJWOCNMINTPFA-SECBINFHSA-N -1 3 237.303 0.805 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccoc1 ZINC000898728897 584156001 /nfs/dbraw/zinc/15/60/01/584156001.db2.gz NPLRFSSTSYYRBR-MRVPVSSYSA-N -1 3 235.243 0.521 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CC=CCC1 ZINC000898730347 584156182 /nfs/dbraw/zinc/15/61/82/584156182.db2.gz YRCFSAIQDWYAOC-WDEREUQCSA-N -1 3 249.314 0.971 20 0 BCADHM CC(C)(F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898736379 584156433 /nfs/dbraw/zinc/15/64/33/584156433.db2.gz COBMKPWZOSILMH-SSDOTTSWSA-N -1 3 229.255 0.363 20 0 BCADHM Cc1cc[nH]c1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898738576 584157581 /nfs/dbraw/zinc/15/75/81/584157581.db2.gz BQTZECPTSXAVFR-VIFPVBQESA-N -1 3 248.286 0.565 20 0 BCADHM COCCC(=O)[N-]OCc1cccc(C)n1 ZINC000898934854 584166820 /nfs/dbraw/zinc/16/68/20/584166820.db2.gz CAAZRXBKRMOBCL-UHFFFAOYSA-N -1 3 224.260 0.974 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@]12C[C@H]1COC2 ZINC000899246466 584187146 /nfs/dbraw/zinc/18/71/46/584187146.db2.gz QOTIRKVVWJZGSY-CABZTGNLSA-N -1 3 234.255 0.235 20 0 BCADHM [O-]c1cncc(CNC(=S)NC2CC2)c1 ZINC000899609216 584221304 /nfs/dbraw/zinc/22/13/04/584221304.db2.gz KJWLDMKDYQJVRI-UHFFFAOYSA-N -1 3 223.301 0.914 20 0 BCADHM C/C=C/[C@H](O)C(=O)[N-]C1=NCCS1 ZINC000900006163 584264085 /nfs/dbraw/zinc/26/40/85/584264085.db2.gz QKNVTVFUOHDYKZ-SZKDQXIBSA-N -1 3 200.263 0.142 20 0 BCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000900311235 584293701 /nfs/dbraw/zinc/29/37/01/584293701.db2.gz XJWTUCYTVCRSEH-RQJHMYQMSA-N -1 3 220.228 0.452 20 0 BCADHM N[C@H](C(=O)NCCC(=O)[O-])C1CCCCCC1 ZINC000900453884 584313075 /nfs/dbraw/zinc/31/30/75/584313075.db2.gz OIZNBVIGYOOIOG-NSHDSACASA-N -1 3 242.319 0.875 20 0 BCADHM N[C@@H](C(=O)NCC(=O)[O-])C1CCCCCC1 ZINC000900453263 584313308 /nfs/dbraw/zinc/31/33/08/584313308.db2.gz IYVZXZYUHBXESJ-SNVBAGLBSA-N -1 3 228.292 0.485 20 0 BCADHM CC(=C(F)C(=O)Nc1nnn[n-]1)C1CC1 ZINC000900744271 584348248 /nfs/dbraw/zinc/34/82/48/584348248.db2.gz AAXSXLWIOPFYRQ-GQCTYLIASA-N -1 3 211.200 0.792 20 0 BCADHM CC(=C(F)C(=O)Nc1nn[n-]n1)C1CC1 ZINC000900744271 584348249 /nfs/dbraw/zinc/34/82/49/584348249.db2.gz AAXSXLWIOPFYRQ-GQCTYLIASA-N -1 3 211.200 0.792 20 0 BCADHM C/C(=C(\F)C(=O)Nc1nn[n-]n1)C1CC1 ZINC000900744271 584348252 /nfs/dbraw/zinc/34/82/52/584348252.db2.gz AAXSXLWIOPFYRQ-GQCTYLIASA-N -1 3 211.200 0.792 20 0 BCADHM C[C@@H](C(=O)[N-]S(=O)(=O)CCN)C1CCCC1 ZINC000901099476 584380986 /nfs/dbraw/zinc/38/09/86/584380986.db2.gz BHMZATPSAZMLBQ-MRVPVSSYSA-N -1 3 248.348 0.217 20 0 BCADHM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCN ZINC000901096166 584384901 /nfs/dbraw/zinc/38/49/01/584384901.db2.gz MSLKIXBPUYAABL-RKDXNWHRSA-N -1 3 248.348 0.217 20 0 BCADHM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)CCN ZINC000901101780 584388200 /nfs/dbraw/zinc/38/82/00/584388200.db2.gz NQLQFMXDINFHOV-FPLPWBNLSA-N -1 3 234.321 0.138 20 0 BCADHM CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)CCN ZINC000901101307 584388368 /nfs/dbraw/zinc/38/83/68/584388368.db2.gz LEEATUXKEWPRTB-YUMQZZPRSA-N -1 3 236.337 0.073 20 0 BCADHM CC(C)(O)[C@@H](O)C(=O)Nc1cccc([O-])c1F ZINC000901241766 584406722 /nfs/dbraw/zinc/40/67/22/584406722.db2.gz AEDRUUUEDLSTLX-VIFPVBQESA-N -1 3 243.234 0.602 20 0 BCADHM CC(C)(O)[C@H](O)C(=O)Nc1cc(F)ccc1[O-] ZINC000901221700 584410937 /nfs/dbraw/zinc/41/09/37/584410937.db2.gz MFILXQBRLWYEFX-SECBINFHSA-N -1 3 243.234 0.602 20 0 BCADHM COc1nnc(NC(=O)C=C(C)Cl)[n-]1 ZINC000901286385 584422021 /nfs/dbraw/zinc/42/20/21/584422021.db2.gz IXCPZUYNBCXMRV-ONEGZZNKSA-N -1 3 216.628 0.894 20 0 BCADHM COc1nc(NC(=O)C=C(C)Cl)n[n-]1 ZINC000901286385 584422022 /nfs/dbraw/zinc/42/20/22/584422022.db2.gz IXCPZUYNBCXMRV-ONEGZZNKSA-N -1 3 216.628 0.894 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C(\C)Cl)n1 ZINC000901286385 584422024 /nfs/dbraw/zinc/42/20/24/584422024.db2.gz IXCPZUYNBCXMRV-ONEGZZNKSA-N -1 3 216.628 0.894 20 0 BCADHM COc1nc(NC(=O)C2(C3CC3)CC2)n[n-]1 ZINC000901285397 584422284 /nfs/dbraw/zinc/42/22/84/584422284.db2.gz CAUYCUANGLLMCQ-UHFFFAOYSA-N -1 3 222.248 0.942 20 0 BCADHM COc1nnc(NC(=O)C2(C3CC3)CC2)[n-]1 ZINC000901285397 584422285 /nfs/dbraw/zinc/42/22/85/584422285.db2.gz CAUYCUANGLLMCQ-UHFFFAOYSA-N -1 3 222.248 0.942 20 0 BCADHM COc1n[n-]c(NC(=O)C2(C3CC3)CC2)n1 ZINC000901285397 584422286 /nfs/dbraw/zinc/42/22/86/584422286.db2.gz CAUYCUANGLLMCQ-UHFFFAOYSA-N -1 3 222.248 0.942 20 0 BCADHM NC(=O)[N-]C(=O)OCCCSC1COC1 ZINC000901641613 584473842 /nfs/dbraw/zinc/47/38/42/584473842.db2.gz HUEVDSIOJUYJBT-UHFFFAOYSA-N -1 3 234.277 0.313 20 0 BCADHM Cn1ccc(CN[C@](C)(CCF)C(=O)[O-])n1 ZINC000901915177 584503715 /nfs/dbraw/zinc/50/37/15/584503715.db2.gz IKDMQYDPCMTBRD-SNVBAGLBSA-N -1 3 229.255 0.713 20 0 BCADHM CC[C@H](C(=O)NC[C@H](C(=O)[O-])C(C)C)N(C)C ZINC000902023757 584512372 /nfs/dbraw/zinc/51/23/72/584512372.db2.gz LHMGBOHIJBRPIN-VHSXEESVSA-N -1 3 244.335 0.800 20 0 BCADHM CC[C@H](C(=O)N1CCC[C@]1(C)C(=O)[O-])N(C)C ZINC000902111611 584526735 /nfs/dbraw/zinc/52/67/35/584526735.db2.gz CZTQSDWRXNGJBB-BXKDBHETSA-N -1 3 242.319 0.792 20 0 BCADHM CC(C)(C)CC(=O)[N-]OCC[C@H]1CCNC1=O ZINC000902417887 584591651 /nfs/dbraw/zinc/59/16/51/584591651.db2.gz DOHYABOLDFVFLU-SECBINFHSA-N -1 3 242.319 0.997 20 0 BCADHM O=C([O-])[C@@H]1C[C@H](F)CN1CCC1(O)CCC1 ZINC000903615371 584786940 /nfs/dbraw/zinc/78/69/40/584786940.db2.gz VYEZRRHOIXHJRP-IUCAKERBSA-N -1 3 231.267 0.789 20 0 BCADHM C[C@H](CO)CN1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903615965 584786947 /nfs/dbraw/zinc/78/69/47/584786947.db2.gz AUKUKGUPTJMAEH-FXQIFTODSA-N -1 3 205.229 0.112 20 0 BCADHM O=C([O-])[C@@H]1C[C@H](F)CN1CCCn1ccnc1 ZINC000903617814 584787282 /nfs/dbraw/zinc/78/72/82/584787282.db2.gz TYEPCXVRDMPXFT-UWVGGRQHSA-N -1 3 241.266 0.770 20 0 BCADHM Cn1cncc1CN1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936006 584825987 /nfs/dbraw/zinc/82/59/87/584825987.db2.gz CTNYUYPTPWHQIZ-SKDRFNHKSA-N -1 3 235.287 0.859 20 0 BCADHM Cc1n[nH]cc1CN[C@]1(C(=O)[O-])CCSC1 ZINC000904007649 584837394 /nfs/dbraw/zinc/83/73/94/584837394.db2.gz PRDIGSPUFOAORL-SNVBAGLBSA-N -1 3 241.316 0.768 20 0 BCADHM C[C@H](CC(=O)[N-]c1nnnn1C)C(F)(F)F ZINC000904191374 584849327 /nfs/dbraw/zinc/84/93/27/584849327.db2.gz RKPSKQDBSCRDHM-SCSAIBSYSA-N -1 3 237.185 0.737 20 0 BCADHM CC[C@@H]1CCC[C@H]1C(=O)[N-]c1nnnn1C ZINC000904191857 584849457 /nfs/dbraw/zinc/84/94/57/584849457.db2.gz QOKBWORZDRFDTN-HTQZYQBOSA-N -1 3 223.280 0.975 20 0 BCADHM CCCC[C@H](C)C(=O)[N-]c1nnnn1C ZINC000904193402 584849632 /nfs/dbraw/zinc/84/96/32/584849632.db2.gz HLJZTPAOQRCXLM-ZETCQYMHSA-N -1 3 211.269 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)C(C)(C)C1CC1 ZINC000904194262 584849641 /nfs/dbraw/zinc/84/96/41/584849641.db2.gz ZGEDSJFMKZMZKB-UHFFFAOYSA-N -1 3 209.253 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCC(F)(F)C1 ZINC000904194281 584849742 /nfs/dbraw/zinc/84/97/42/584849742.db2.gz ZXZINMIHBGMRDU-RXMQYKEDSA-N -1 3 231.206 0.584 20 0 BCADHM CCO[C@@H](CC(=O)[N-]c1nnnn1C)C(C)C ZINC000904195248 584850268 /nfs/dbraw/zinc/85/02/68/584850268.db2.gz RZVFFBBARNWWNS-QMMMGPOBSA-N -1 3 241.295 0.600 20 0 BCADHM C[C@@H]1CC(=O)CC[C@H]1C(=O)[N-]c1nnnn1C ZINC000904195211 584850332 /nfs/dbraw/zinc/85/03/32/584850332.db2.gz RLKYCPLFAHLKOK-HTRCEHHLSA-N -1 3 237.263 0.154 20 0 BCADHM Cn1nnnc1[N-]C(=O)C(C)(C)c1cccnc1 ZINC000904195502 584850418 /nfs/dbraw/zinc/85/04/18/584850418.db2.gz OUORKCFJQRVYPU-UHFFFAOYSA-N -1 3 246.274 0.521 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1(F)CCCC1 ZINC000904196135 584850737 /nfs/dbraw/zinc/85/07/37/584850737.db2.gz UWVKBVJTGIBNEA-UHFFFAOYSA-N -1 3 213.216 0.431 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H](F)Cc1ccccc1 ZINC000904196117 584850758 /nfs/dbraw/zinc/85/07/58/584850758.db2.gz SYWMGULODGABPO-VIFPVBQESA-N -1 3 249.249 0.729 20 0 BCADHM CC(C)[C@]1(C)C[C@H]1C(=O)[N-]c1nnnn1C ZINC000904196508 584850768 /nfs/dbraw/zinc/85/07/68/584850768.db2.gz ZPPARRQBAUQJQO-XVKPBYJWSA-N -1 3 223.280 0.831 20 0 BCADHM CCc1ccc(CC(=O)[N-]c2nnnn2C)cc1 ZINC000904198642 584851164 /nfs/dbraw/zinc/85/11/64/584851164.db2.gz HZLQRYKSDSESAU-UHFFFAOYSA-N -1 3 245.286 0.954 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCc1ccccc1F ZINC000904203475 584851676 /nfs/dbraw/zinc/85/16/76/584851676.db2.gz KJUOGBLBJQUROW-UHFFFAOYSA-N -1 3 249.249 0.921 20 0 BCADHM CC[C@H](O)[C@H]1CCCCN1CCNC(=O)[O-] ZINC000826626940 584894879 /nfs/dbraw/zinc/89/48/79/584894879.db2.gz YYCOWTYVVSWOIB-ZJUUUORDSA-N -1 3 230.308 0.879 20 0 BCADHM CC[C@H](O)[C@@H]1CCCCN1CCNC(=O)[O-] ZINC000826626937 584894883 /nfs/dbraw/zinc/89/48/83/584894883.db2.gz YYCOWTYVVSWOIB-UWVGGRQHSA-N -1 3 230.308 0.879 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CCC(=O)C2)n[n-]1 ZINC000830404084 584908398 /nfs/dbraw/zinc/90/83/98/584908398.db2.gz RTDOTWALWPUTKS-ZCFIWIBFSA-N -1 3 238.247 0.511 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CCC(=O)C2)[n-]1 ZINC000830404084 584908399 /nfs/dbraw/zinc/90/83/99/584908399.db2.gz RTDOTWALWPUTKS-ZCFIWIBFSA-N -1 3 238.247 0.511 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CCC(=O)C2)n1 ZINC000830404084 584908400 /nfs/dbraw/zinc/90/84/00/584908400.db2.gz RTDOTWALWPUTKS-ZCFIWIBFSA-N -1 3 238.247 0.511 20 0 BCADHM O=C([O-])NCCN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000832642045 584911781 /nfs/dbraw/zinc/91/17/81/584911781.db2.gz SYHFZJOLQNCKDE-JQWIXIFHSA-N -1 3 242.319 0.881 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000834628645 584914095 /nfs/dbraw/zinc/91/40/95/584914095.db2.gz VDAUCHASMVSLFU-DJLDLDEBSA-N -1 3 241.287 0.420 20 0 BCADHM Cc1cc(NC([O-])=NOCC(C)(C)O)n(C)n1 ZINC000788028744 584914300 /nfs/dbraw/zinc/91/43/00/584914300.db2.gz GWQQBEKOTNJTGE-UHFFFAOYSA-N -1 3 242.279 0.553 20 0 BCADHM Cc1cc(NC(=O)[N-]OCC(C)(C)O)n(C)n1 ZINC000788028744 584914301 /nfs/dbraw/zinc/91/43/01/584914301.db2.gz GWQQBEKOTNJTGE-UHFFFAOYSA-N -1 3 242.279 0.553 20 0 BCADHM CCC(=O)COC(=O)c1cncc([O-])c1 ZINC000732394509 584936687 /nfs/dbraw/zinc/93/66/87/584936687.db2.gz OMARPHPKRLNGJY-UHFFFAOYSA-N -1 3 209.201 0.923 20 0 BCADHM O=C(O[C@H]1CCOC1=O)c1cncc([O-])c1 ZINC000732394311 584936738 /nfs/dbraw/zinc/93/67/38/584936738.db2.gz KUFANXXNSFQDDR-QMMMGPOBSA-N -1 3 223.184 0.260 20 0 BCADHM CCc1cc(CN=c2ncnc3[nH][n-]cc2-3)[nH]n1 ZINC000732804810 584941327 /nfs/dbraw/zinc/94/13/27/584941327.db2.gz YNYUCELJXUHTGL-UHFFFAOYSA-N -1 3 243.274 0.624 20 0 BCADHM CCc1cc(CN=c2ncnc3[nH][n-]cc2-3)n[nH]1 ZINC000732804810 584941328 /nfs/dbraw/zinc/94/13/28/584941328.db2.gz YNYUCELJXUHTGL-UHFFFAOYSA-N -1 3 243.274 0.624 20 0 BCADHM CC(C)NC(=O)CO[N-]C(=O)C(C)(C)C ZINC000732805451 584941411 /nfs/dbraw/zinc/94/14/11/584941411.db2.gz ATGJVTSEDOUMHL-UHFFFAOYSA-N -1 3 216.281 0.605 20 0 BCADHM Cc1cc(C(=O)N[C@]2(C)CCNC2=O)ccc1[O-] ZINC000889034655 584944611 /nfs/dbraw/zinc/94/46/11/584944611.db2.gz WMUQURZQONFZQE-CYBMUJFWSA-N -1 3 248.282 0.709 20 0 BCADHM CC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735623648 584980463 /nfs/dbraw/zinc/98/04/63/584980463.db2.gz ODFSACPQMOBFPF-UHFFFAOYSA-N -1 3 246.274 0.790 20 0 BCADHM CC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735623648 584980464 /nfs/dbraw/zinc/98/04/64/584980464.db2.gz ODFSACPQMOBFPF-UHFFFAOYSA-N -1 3 246.274 0.790 20 0 BCADHM Cc1nonc1C(=O)Nc1ncccc1[O-] ZINC000735841883 584983061 /nfs/dbraw/zinc/98/30/61/584983061.db2.gz XYXOQVDBSFFJHO-UHFFFAOYSA-N -1 3 220.188 0.731 20 0 BCADHM Cc1nonc1C(=O)[N-]c1ncccc1O ZINC000735841883 584983062 /nfs/dbraw/zinc/98/30/62/584983062.db2.gz XYXOQVDBSFFJHO-UHFFFAOYSA-N -1 3 220.188 0.731 20 0 BCADHM CCNC(=O)CCCC(=O)[N-]OCC1CC1 ZINC000817330142 584984840 /nfs/dbraw/zinc/98/48/40/584984840.db2.gz IHMCXDKFRQCXDX-UHFFFAOYSA-N -1 3 228.292 0.751 20 0 BCADHM CC(C)(CC(=O)[O-])NCc1cncnc1 ZINC000736317251 584997451 /nfs/dbraw/zinc/99/74/51/584997451.db2.gz PPJVDHKUFAGAJW-UHFFFAOYSA-N -1 3 209.249 0.820 20 0 BCADHM CC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736324681 584997476 /nfs/dbraw/zinc/99/74/76/584997476.db2.gz HKHXLZYLSNPUMS-SSDOTTSWSA-N -1 3 246.274 0.790 20 0 BCADHM CC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736324681 584997477 /nfs/dbraw/zinc/99/74/77/584997477.db2.gz HKHXLZYLSNPUMS-SSDOTTSWSA-N -1 3 246.274 0.790 20 0 BCADHM CC[C@H](C)C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736319428 584997612 /nfs/dbraw/zinc/99/76/12/584997612.db2.gz KOINFKNNOQXTHI-ZETCQYMHSA-N -1 3 246.274 0.668 20 0 BCADHM CC[C@H](C)C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736319428 584997613 /nfs/dbraw/zinc/99/76/13/584997613.db2.gz KOINFKNNOQXTHI-ZETCQYMHSA-N -1 3 246.274 0.668 20 0 BCADHM CC(C)(NCc1cc(=O)c(O)co1)C(=O)[O-] ZINC000736339383 584998236 /nfs/dbraw/zinc/99/82/36/584998236.db2.gz HRRYZGVOQYXGQV-UHFFFAOYSA-N -1 3 227.216 0.298 20 0 BCADHM CCCC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736415616 585001212 /nfs/dbraw/zinc/00/12/12/585001212.db2.gz HKOQDPYXHMUXMY-UHFFFAOYSA-N -1 3 232.247 0.422 20 0 BCADHM CCCC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736415616 585001213 /nfs/dbraw/zinc/00/12/13/585001213.db2.gz HKOQDPYXHMUXMY-UHFFFAOYSA-N -1 3 232.247 0.422 20 0 BCADHM CCC[C@@H](C)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000736425621 585001570 /nfs/dbraw/zinc/00/15/70/585001570.db2.gz VWCPAMNBMXDBSA-ZCFIWIBFSA-N -1 3 249.278 0.722 20 0 BCADHM CC(C)CCN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC000736428298 585001694 /nfs/dbraw/zinc/00/16/94/585001694.db2.gz ZGFFUPLQHSGFEY-JTQLQIEISA-N -1 3 242.319 0.698 20 0 BCADHM CC(C)N(C)CC(=O)N(C)C(C)(C)C(=O)[O-] ZINC000736455452 585002943 /nfs/dbraw/zinc/00/29/43/585002943.db2.gz QVYNMLUGGZFWQU-UHFFFAOYSA-N -1 3 230.308 0.648 20 0 BCADHM CCn1nnnc1[N-]C(=O)N[C@H](C)C1CC1 ZINC000888325802 585010386 /nfs/dbraw/zinc/01/03/86/585010386.db2.gz WLLWAQARQKAGAE-ZCFIWIBFSA-N -1 3 224.268 0.035 20 0 BCADHM C[C@@H]1C[C@@H](N(C)C(=O)CCC(=O)[O-])CCN1C ZINC000736757175 585011647 /nfs/dbraw/zinc/01/16/47/585011647.db2.gz YWQYKSODRTVPQJ-ZJUUUORDSA-N -1 3 242.319 0.792 20 0 BCADHM CCn1nnnc1[N-]C(=O)N1CCCC[C@H]1C ZINC000888345161 585012678 /nfs/dbraw/zinc/01/26/78/585012678.db2.gz RCXBAUJGINCEHK-MRVPVSSYSA-N -1 3 238.295 0.521 20 0 BCADHM COc1ccncc1NC(=O)c1nc[n-]n1 ZINC000772784022 585016704 /nfs/dbraw/zinc/01/67/04/585016704.db2.gz PHNUNRSGEGPCPZ-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM CC[C@H]1CN(CCC(=O)[O-])CCN1CCOC ZINC000736943352 585019584 /nfs/dbraw/zinc/01/95/84/585019584.db2.gz LDWOURAXNUKILE-NSHDSACASA-N -1 3 244.335 0.504 20 0 BCADHM CO[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736957238 585020255 /nfs/dbraw/zinc/02/02/55/585020255.db2.gz GNMXHLMUHFIHKI-ZCFIWIBFSA-N -1 3 248.246 0.235 20 0 BCADHM CO[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736957238 585020256 /nfs/dbraw/zinc/02/02/56/585020256.db2.gz GNMXHLMUHFIHKI-ZCFIWIBFSA-N -1 3 248.246 0.235 20 0 BCADHM CCN1CCC(NC(=O)CCNC(=O)[O-])CC1 ZINC000737112581 585025899 /nfs/dbraw/zinc/02/58/99/585025899.db2.gz MHAZGBSCULCNBN-UHFFFAOYSA-N -1 3 243.307 0.245 20 0 BCADHM CCOC(=O)N(C)C1CCN(CC(=O)[O-])CC1 ZINC000737144090 585026321 /nfs/dbraw/zinc/02/63/21/585026321.db2.gz ICNYNBCWDKSRDZ-UHFFFAOYSA-N -1 3 244.291 0.624 20 0 BCADHM CCOC[C@@H](O)CN1CCCN(C(=O)[O-])CC1 ZINC000737876270 585039132 /nfs/dbraw/zinc/03/91/32/585039132.db2.gz FQAGTTPGYZAZHO-JTQLQIEISA-N -1 3 246.307 0.070 20 0 BCADHM O=C1OCC[C@@H]1CCn1cc(-c2nnn[n-]2)cn1 ZINC000738317708 585042312 /nfs/dbraw/zinc/04/23/12/585042312.db2.gz FYNRTDTYOGWHGM-ZETCQYMHSA-N -1 3 248.246 0.016 20 0 BCADHM O=C1OCC[C@@H]1CCn1cc(-c2nn[n-]n2)cn1 ZINC000738317708 585042313 /nfs/dbraw/zinc/04/23/13/585042313.db2.gz FYNRTDTYOGWHGM-ZETCQYMHSA-N -1 3 248.246 0.016 20 0 BCADHM COC(=O)[C@@H](F)CNC(=O)c1cccc([O-])c1 ZINC000838065371 585044271 /nfs/dbraw/zinc/04/42/71/585044271.db2.gz WSULJDMURLZBCV-VIFPVBQESA-N -1 3 241.218 0.633 20 0 BCADHM CC[C@@H](C)OC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000738594673 585048328 /nfs/dbraw/zinc/04/83/28/585048328.db2.gz JEKWYXLLADTJIP-RNFRBKRXSA-N -1 3 228.248 0.316 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CSC(=O)N1 ZINC000740749457 585106405 /nfs/dbraw/zinc/10/64/05/585106405.db2.gz ZMZMEJUSEKGAMD-YFKPBYRVSA-N -1 3 239.256 0.551 20 0 BCADHM CO[C@@H](C)CCC(=O)[N-]OCC(C)(C)O ZINC000788220077 585141818 /nfs/dbraw/zinc/14/18/18/585141818.db2.gz NDZOXPABJXEUPN-QMMMGPOBSA-N -1 3 219.281 0.620 20 0 BCADHM O=C(c1nnc[n-]1)N1CCOc2ccncc21 ZINC000746208577 585165577 /nfs/dbraw/zinc/16/55/77/585165577.db2.gz NGESBZVCYVAACG-UHFFFAOYSA-N -1 3 231.215 0.239 20 0 BCADHM O=C(c1nc[n-]n1)N1CCOc2ccncc21 ZINC000746208577 585165578 /nfs/dbraw/zinc/16/55/78/585165578.db2.gz NGESBZVCYVAACG-UHFFFAOYSA-N -1 3 231.215 0.239 20 0 BCADHM O=C(COC(=O)c1cncc([O-])c1)N1CCC1 ZINC000746985083 585174084 /nfs/dbraw/zinc/17/40/84/585174084.db2.gz ZANYEWMWTAXWOH-UHFFFAOYSA-N -1 3 236.227 0.176 20 0 BCADHM O=C([N-]OCc1cccnc1)C1=COCC1 ZINC000747169714 585176254 /nfs/dbraw/zinc/17/62/54/585176254.db2.gz CVUFSFAMCCOEHP-UHFFFAOYSA-N -1 3 220.228 0.934 20 0 BCADHM CCCCOC(=O)C[N-]S(=O)(=O)CC1CC1 ZINC000748060013 585186832 /nfs/dbraw/zinc/18/68/32/585186832.db2.gz GUMBHBJMMISHJV-UHFFFAOYSA-N -1 3 249.332 0.659 20 0 BCADHM CCC[C@@H](C)OC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000748109401 585187173 /nfs/dbraw/zinc/18/71/73/585187173.db2.gz YXYPNVHVJVYKHJ-HTQZYQBOSA-N -1 3 242.275 0.706 20 0 BCADHM CO[C@H](C)CC(=O)Nc1ccncc1[O-] ZINC000748313192 585190678 /nfs/dbraw/zinc/19/06/78/585190678.db2.gz ZNLSJGUDYROJBC-SSDOTTSWSA-N -1 3 210.233 0.573 20 0 BCADHM COCCO[N-]C(=O)CCc1cnn(C)c1 ZINC000748772605 585195535 /nfs/dbraw/zinc/19/55/35/585195535.db2.gz KTYVIMFKBKLDTR-UHFFFAOYSA-N -1 3 227.264 0.047 20 0 BCADHM C[C@H](C(=O)[N-]C1=NCCS1)c1cnn(C)c1 ZINC000749874436 585207841 /nfs/dbraw/zinc/20/78/41/585207841.db2.gz OYWPWPCDXFYLKF-ZETCQYMHSA-N -1 3 238.316 0.743 20 0 BCADHM CC[C@@H](OC(=O)c1ccc(F)cc1[O-])C(N)=O ZINC000750166138 585211542 /nfs/dbraw/zinc/21/15/42/585211542.db2.gz QSFZRDFAJZPEOL-SECBINFHSA-N -1 3 241.218 0.952 20 0 BCADHM CCN(CC(=O)[N-]OCCOC)C1CC1 ZINC000750892960 585221189 /nfs/dbraw/zinc/22/11/89/585221189.db2.gz LNJYOVOTMIFFON-UHFFFAOYSA-N -1 3 216.281 0.165 20 0 BCADHM CCC[C@@H](C)OC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000751568950 585233143 /nfs/dbraw/zinc/23/31/43/585233143.db2.gz ZSKBGYTXROHWDP-RQJHMYQMSA-N -1 3 228.248 0.316 20 0 BCADHM CC(=O)[N-]OCC(=O)Nc1c(F)cccc1F ZINC000753119375 585253748 /nfs/dbraw/zinc/25/37/48/585253748.db2.gz RTJSHYMNSRWHSI-UHFFFAOYSA-N -1 3 244.197 0.971 20 0 BCADHM COCCCO[N-]C(=O)C[C@@H]1CCCO1 ZINC000805039053 585256424 /nfs/dbraw/zinc/25/64/24/585256424.db2.gz KCNWNHYXYGMSGM-VIFPVBQESA-N -1 3 217.265 0.640 20 0 BCADHM COCCO[N-]C(=O)CCOC1CCOCC1 ZINC000753317488 585256764 /nfs/dbraw/zinc/25/67/64/585256764.db2.gz DZMVUFBPLYDFMN-UHFFFAOYSA-N -1 3 247.291 0.266 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]OCCCOC ZINC000805037785 585256791 /nfs/dbraw/zinc/25/67/91/585256791.db2.gz JRZBJHAAKRPKNA-SECBINFHSA-N -1 3 219.281 0.622 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]OCCCOC ZINC000805037786 585256808 /nfs/dbraw/zinc/25/68/08/585256808.db2.gz JRZBJHAAKRPKNA-VIFPVBQESA-N -1 3 219.281 0.622 20 0 BCADHM CCN(CC)CC(=O)[N-]OCCCOC ZINC000805041522 585257244 /nfs/dbraw/zinc/25/72/44/585257244.db2.gz FEMVJZCSEYDLOU-UHFFFAOYSA-N -1 3 218.297 0.413 20 0 BCADHM COCCCO[N-]C(=O)CN1CCC(C)CC1 ZINC000805039741 585257299 /nfs/dbraw/zinc/25/72/99/585257299.db2.gz JUIKRLDZNZOIMF-UHFFFAOYSA-N -1 3 244.335 0.803 20 0 BCADHM CCn1cc(CC(=O)[N-]OCCCOC)cn1 ZINC000805041140 585257659 /nfs/dbraw/zinc/25/76/59/585257659.db2.gz PDIDDGHBEVBQOO-UHFFFAOYSA-N -1 3 241.291 0.530 20 0 BCADHM COCCCO[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000805042957 585259059 /nfs/dbraw/zinc/25/90/59/585259059.db2.gz BGSFVRXKVBTCDT-PLNGDYQASA-N -1 3 239.275 0.518 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1CCOC[C@H]1C ZINC000805044111 585261106 /nfs/dbraw/zinc/26/11/06/585261106.db2.gz GFDPVYMXPHXLHM-NXEZZACHSA-N -1 3 231.292 0.743 20 0 BCADHM COCCCO[N-]C(=O)CC[C@@H](C)OC ZINC000805045390 585263894 /nfs/dbraw/zinc/26/38/94/585263894.db2.gz PFUKQUOVOMPFMW-SECBINFHSA-N -1 3 219.281 0.886 20 0 BCADHM O=C(NCCCO)c1cc2n[n-]nc2cc1F ZINC000753787453 585269107 /nfs/dbraw/zinc/26/91/07/585269107.db2.gz YRSSVHZNGMWYNY-UHFFFAOYSA-N -1 3 238.222 0.209 20 0 BCADHM C[C@@H](CO)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756532343 585320671 /nfs/dbraw/zinc/32/06/71/585320671.db2.gz UOTPWQMBTQGGSG-YFKPBYRVSA-N -1 3 236.243 0.732 20 0 BCADHM CC(C)c1cc(NC([O-])=NOCC(N)=O)no1 ZINC000756790257 585323288 /nfs/dbraw/zinc/32/32/88/585323288.db2.gz OCWXAGREGXDUMH-UHFFFAOYSA-N -1 3 242.235 0.336 20 0 BCADHM CC(C)c1cc(NC(=O)[N-]OCC(N)=O)no1 ZINC000756790257 585323289 /nfs/dbraw/zinc/32/32/89/585323289.db2.gz OCWXAGREGXDUMH-UHFFFAOYSA-N -1 3 242.235 0.336 20 0 BCADHM Cc1cc(=O)[n-]c(CSc2ncnn2C)n1 ZINC000758415805 585355821 /nfs/dbraw/zinc/35/58/21/585355821.db2.gz OECNEDVFDFBFTG-UHFFFAOYSA-N -1 3 237.288 0.911 20 0 BCADHM CC(C)CCCOC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000758529306 585356736 /nfs/dbraw/zinc/35/67/36/585356736.db2.gz UDRYPIUXOAYPLZ-QMMMGPOBSA-N -1 3 242.275 0.564 20 0 BCADHM Cc1cc([O-])ccc1C(=O)O[C@@H](C)C(N)=O ZINC000758518614 585356765 /nfs/dbraw/zinc/35/67/65/585356765.db2.gz VAMATSLTDOGETF-ZETCQYMHSA-N -1 3 223.228 0.731 20 0 BCADHM CCN(C)C(=O)CO[N-]C(=O)C(C)(C)C ZINC000758763397 585359761 /nfs/dbraw/zinc/35/97/61/585359761.db2.gz ULUAYHIXTHLCOC-UHFFFAOYSA-N -1 3 216.281 0.559 20 0 BCADHM O=C([N-]OCC(F)F)Nc1ccncc1 ZINC000758814477 585360110 /nfs/dbraw/zinc/36/01/10/585360110.db2.gz KTKLGCPDUKLTBB-UHFFFAOYSA-N -1 3 217.175 0.822 20 0 BCADHM CN1CC[C@H](C(=O)[N-]OCC(F)F)CC1=O ZINC000759322796 585366994 /nfs/dbraw/zinc/36/69/94/585366994.db2.gz KFEVWONHMDPXGM-LURJTMIESA-N -1 3 236.218 0.168 20 0 BCADHM COCCOCCC(=O)[N-]OCC(F)F ZINC000759332321 585368338 /nfs/dbraw/zinc/36/83/38/585368338.db2.gz ZMWKZNTWMVIYMQ-UHFFFAOYSA-N -1 3 227.207 0.352 20 0 BCADHM Cn1cc(NC(=O)[N-]OCC(F)F)cn1 ZINC000759927703 585383032 /nfs/dbraw/zinc/38/30/32/585383032.db2.gz HRVDZFWJNRXEDM-UHFFFAOYSA-N -1 3 220.179 0.738 20 0 BCADHM Cn1cc(NC([O-])=NOCC(F)F)cn1 ZINC000759927703 585383031 /nfs/dbraw/zinc/38/30/31/585383031.db2.gz HRVDZFWJNRXEDM-UHFFFAOYSA-N -1 3 220.179 0.738 20 0 BCADHM Cn1ccc(NC([O-])=NOCC(F)F)n1 ZINC000759962464 585383474 /nfs/dbraw/zinc/38/34/74/585383474.db2.gz KGIVLPLKWLDADQ-UHFFFAOYSA-N -1 3 220.179 0.738 20 0 BCADHM Cn1ccc(NC(=O)[N-]OCC(F)F)n1 ZINC000759962464 585383475 /nfs/dbraw/zinc/38/34/75/585383475.db2.gz KGIVLPLKWLDADQ-UHFFFAOYSA-N -1 3 220.179 0.738 20 0 BCADHM CCON=C([O-])Nc1cc(COC)ncn1 ZINC000759995164 585383832 /nfs/dbraw/zinc/38/38/32/585383832.db2.gz VUFPPSORQUVKQF-UHFFFAOYSA-N -1 3 226.236 0.696 20 0 BCADHM CCO[N-]C(=O)Nc1cc(COC)ncn1 ZINC000759995164 585383833 /nfs/dbraw/zinc/38/38/33/585383833.db2.gz VUFPPSORQUVKQF-UHFFFAOYSA-N -1 3 226.236 0.696 20 0 BCADHM Cc1cc(C(=O)NN2CCCC2=O)ccc1[O-] ZINC000762642621 585435005 /nfs/dbraw/zinc/43/50/05/585435005.db2.gz VYNZDQOGSDXZEY-UHFFFAOYSA-N -1 3 234.255 0.968 20 0 BCADHM CCO[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000762681596 585435082 /nfs/dbraw/zinc/43/50/82/585435082.db2.gz ORALDIXLQDKVIO-UHFFFAOYSA-N -1 3 222.204 0.116 20 0 BCADHM Cc1cc(=O)[n-]c(CSCCC(N)=O)n1 ZINC000763217396 585444755 /nfs/dbraw/zinc/44/47/55/585444755.db2.gz UDVBXHLNLTYGMU-UHFFFAOYSA-N -1 3 227.289 0.599 20 0 BCADHM CS(=O)(=O)[N-]N=c1nc[nH]c2ccsc21 ZINC000765136379 585481759 /nfs/dbraw/zinc/48/17/59/585481759.db2.gz MOLYXBSDFCRFFV-UHFFFAOYSA-N -1 3 244.301 0.567 20 0 BCADHM C/C=C\C[C@H]([N-]S(C)(=O)=O)C(=O)OCC ZINC000765945110 585494167 /nfs/dbraw/zinc/49/41/67/585494167.db2.gz KDTQYCRCBJGOON-HORMHSFOSA-N -1 3 235.305 0.434 20 0 BCADHM O=C(Cn1cccn1)[N-]C1=NCCS1 ZINC000766112003 585497739 /nfs/dbraw/zinc/49/77/39/585497739.db2.gz MZLDSQHNTZTJPC-UHFFFAOYSA-N -1 3 210.262 0.102 20 0 BCADHM CCCn1cc(C(=O)[N-]c2nonc2C)nn1 ZINC000766425472 585502252 /nfs/dbraw/zinc/50/22/52/585502252.db2.gz PPTMRIYHINHBNB-UHFFFAOYSA-N -1 3 236.235 0.632 20 0 BCADHM C[C@@H]1COCC[C@@H]1C(=O)[N-]OC1CCOCC1 ZINC000768001699 585529332 /nfs/dbraw/zinc/52/93/32/585529332.db2.gz AIKIEMVPVBQAMK-KOLCDFICSA-N -1 3 243.303 0.886 20 0 BCADHM Cc1csc(CCC(=O)[N-]OCCO)n1 ZINC000768215791 585534232 /nfs/dbraw/zinc/53/42/32/585534232.db2.gz LWRLDFODEBHVBK-UHFFFAOYSA-N -1 3 230.289 0.424 20 0 BCADHM COCCOCCOC(=O)c1cncc([O-])c1 ZINC000768954875 585546676 /nfs/dbraw/zinc/54/66/76/585546676.db2.gz TUZHZPZULMSSNA-UHFFFAOYSA-N -1 3 241.243 0.607 20 0 BCADHM Cn1nnc([N-]C(=O)c2cc(F)ccc2F)n1 ZINC000770020510 585569597 /nfs/dbraw/zinc/56/95/97/585569597.db2.gz HBEPFVPUAXTVTG-UHFFFAOYSA-N -1 3 239.185 0.741 20 0 BCADHM Cc1ccc([O-])c(C(=O)NN2CCCC2=O)c1 ZINC000770543034 585576107 /nfs/dbraw/zinc/57/61/07/585576107.db2.gz MGGAUSIDRQXUTH-UHFFFAOYSA-N -1 3 234.255 0.968 20 0 BCADHM O=C1OCC[C@@H]1[N-]S(=O)(=O)CCC1CC1 ZINC000770645277 585579004 /nfs/dbraw/zinc/57/90/04/585579004.db2.gz RXWGRZHZXKESFL-QMMMGPOBSA-N -1 3 233.289 0.021 20 0 BCADHM Cc1nonc1C[N-]S(=O)(=O)CCC1CC1 ZINC000770689583 585580030 /nfs/dbraw/zinc/58/00/30/585580030.db2.gz SGLLPSPMLDBIQH-UHFFFAOYSA-N -1 3 245.304 0.598 20 0 BCADHM [O-]C(=NOCC(F)F)Nc1ccncn1 ZINC000770764009 585581512 /nfs/dbraw/zinc/58/15/12/585581512.db2.gz UJNYDVFEEAKFIX-UHFFFAOYSA-N -1 3 218.163 0.795 20 0 BCADHM O=C([N-]OCC(F)F)Nc1ccncn1 ZINC000770764009 585581513 /nfs/dbraw/zinc/58/15/13/585581513.db2.gz UJNYDVFEEAKFIX-UHFFFAOYSA-N -1 3 218.163 0.795 20 0 BCADHM Cc1ccnc2nc(C(=O)[N-]c3ccon3)nn21 ZINC000771481333 585595061 /nfs/dbraw/zinc/59/50/61/585595061.db2.gz HPSNETZACRHUDY-UHFFFAOYSA-N -1 3 244.214 0.673 20 0 BCADHM Cc1ncc(CCNC(=O)c2c[n-]nn2)s1 ZINC000772132576 585608996 /nfs/dbraw/zinc/60/89/96/585608996.db2.gz VALHNNNALPJIMW-UHFFFAOYSA-N -1 3 237.288 0.542 20 0 BCADHM Cc1ncc(CCNC(=O)c2cnn[n-]2)s1 ZINC000772132576 585608997 /nfs/dbraw/zinc/60/89/97/585608997.db2.gz VALHNNNALPJIMW-UHFFFAOYSA-N -1 3 237.288 0.542 20 0 BCADHM Cc1ncc(CCNC(=O)c2cn[n-]n2)s1 ZINC000772132576 585608998 /nfs/dbraw/zinc/60/89/98/585608998.db2.gz VALHNNNALPJIMW-UHFFFAOYSA-N -1 3 237.288 0.542 20 0 BCADHM CNC(=O)COC(=O)c1c([O-])cccc1F ZINC000772595515 585618795 /nfs/dbraw/zinc/61/87/95/585618795.db2.gz XDMSQCJOCPWYPC-UHFFFAOYSA-N -1 3 227.191 0.434 20 0 BCADHM CCOCCO[N-]C(=O)c1c[nH]c(=O)cc1C ZINC000772701010 585621317 /nfs/dbraw/zinc/62/13/17/585621317.db2.gz LWQBVKFASNWBCM-UHFFFAOYSA-N -1 3 240.259 0.794 20 0 BCADHM COCCCC(=O)[N-]OC1CCOCC1 ZINC000772706543 585621518 /nfs/dbraw/zinc/62/15/18/585621518.db2.gz MKPRCSITEDHXQN-UHFFFAOYSA-N -1 3 217.265 0.640 20 0 BCADHM O=C([N-]OC1CCOCC1)[C@@H]1CCSC1 ZINC000772710898 585621880 /nfs/dbraw/zinc/62/18/80/585621880.db2.gz IHJAGJLSLOPEOU-MRVPVSSYSA-N -1 3 231.317 0.966 20 0 BCADHM CCCC1(C(=O)[N-]OCC(N)=O)CCC1 ZINC000772927185 585627360 /nfs/dbraw/zinc/62/73/60/585627360.db2.gz UIPJOGGPYOFLMB-UHFFFAOYSA-N -1 3 214.265 0.490 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC2=O)o1 ZINC000773279316 585634539 /nfs/dbraw/zinc/63/45/39/585634539.db2.gz VZLIWMDOPARNFI-ZETCQYMHSA-N -1 3 245.256 0.182 20 0 BCADHM Cc1cc(=O)[n-]c(CN2CCc3n[nH]cc3C2)n1 ZINC000773503745 585638661 /nfs/dbraw/zinc/63/86/61/585638661.db2.gz AOMDPDIEXXMEFC-UHFFFAOYSA-N -1 3 245.286 0.772 20 0 BCADHM CSCC(=O)[N-]OC1CCN(C)CC1 ZINC000773540279 585639980 /nfs/dbraw/zinc/63/99/80/585639980.db2.gz IBGPRMGZRLKBEG-UHFFFAOYSA-N -1 3 218.322 0.491 20 0 BCADHM CN1CCC(O[N-]C(=O)C2=COCCO2)CC1 ZINC000773543017 585640254 /nfs/dbraw/zinc/64/02/54/585640254.db2.gz RWGRIZAJHZUQTK-UHFFFAOYSA-N -1 3 242.275 0.017 20 0 BCADHM CCOCC(=O)[N-]OC1CCN(C)CC1 ZINC000773551461 585640383 /nfs/dbraw/zinc/64/03/83/585640383.db2.gz REENXRBDEXZVSH-UHFFFAOYSA-N -1 3 216.281 0.165 20 0 BCADHM O=C(NOc1ccccc1)c1c[n-]nn1 ZINC000774276941 585655619 /nfs/dbraw/zinc/65/56/19/585655619.db2.gz XREMTPGLHIPRLB-UHFFFAOYSA-N -1 3 204.189 0.529 20 0 BCADHM O=C(NOc1ccccc1)c1cnn[n-]1 ZINC000774276941 585655620 /nfs/dbraw/zinc/65/56/20/585655620.db2.gz XREMTPGLHIPRLB-UHFFFAOYSA-N -1 3 204.189 0.529 20 0 BCADHM O=C(NOc1ccccc1)c1cn[n-]n1 ZINC000774276941 585655621 /nfs/dbraw/zinc/65/56/21/585655621.db2.gz XREMTPGLHIPRLB-UHFFFAOYSA-N -1 3 204.189 0.529 20 0 BCADHM CN1CC[C@H](C(=O)[N-]OC2CCCC2)CC1=O ZINC000774868621 585668050 /nfs/dbraw/zinc/66/80/50/585668050.db2.gz WOONJNUJLOEZFV-VIFPVBQESA-N -1 3 240.303 0.845 20 0 BCADHM CCOCCO[N-]C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000775236863 585673917 /nfs/dbraw/zinc/67/39/17/585673917.db2.gz YXLBZBAGDPFMGI-QWRGUYRKSA-N -1 3 244.335 0.944 20 0 BCADHM O=C([N-]OC1CCCC1)[C@@H]1CCNC(=O)C1 ZINC000775281655 585674997 /nfs/dbraw/zinc/67/49/97/585674997.db2.gz XMPXWCRFQNJNRR-MRVPVSSYSA-N -1 3 226.276 0.503 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCOCC(F)F ZINC000805545187 585678310 /nfs/dbraw/zinc/67/83/10/585678310.db2.gz HWCJVXSQHFYGTC-UHFFFAOYSA-N -1 3 235.190 0.552 20 0 BCADHM COC(=O)[C@H](OC(=O)c1n[n-]nc1C)C1CC1 ZINC000805546088 585678366 /nfs/dbraw/zinc/67/83/66/585678366.db2.gz DXSBYZJHLYXHHW-MRVPVSSYSA-N -1 3 239.231 0.222 20 0 BCADHM CCc1nc(COC(=O)c2n[n-]nc2C)no1 ZINC000805545989 585678620 /nfs/dbraw/zinc/67/86/20/585678620.db2.gz BVOJPTZNLDFQCL-UHFFFAOYSA-N -1 3 237.219 0.416 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1ccnc(N)c1 ZINC000805545877 585678690 /nfs/dbraw/zinc/67/86/90/585678690.db2.gz ATLBRSBUVBCOGF-UHFFFAOYSA-N -1 3 233.231 0.447 20 0 BCADHM CCc1cnc(NC([O-])=NOCC(N)=O)s1 ZINC000775520503 585678798 /nfs/dbraw/zinc/67/87/98/585678798.db2.gz TYORCXSIVXIDHF-UHFFFAOYSA-N -1 3 244.276 0.244 20 0 BCADHM CCc1cnc(NC(=O)[N-]OCC(N)=O)s1 ZINC000775520503 585678799 /nfs/dbraw/zinc/67/87/99/585678799.db2.gz TYORCXSIVXIDHF-UHFFFAOYSA-N -1 3 244.276 0.244 20 0 BCADHM Cc1n[n-]nc1C(=O)O[C@H](C)c1cnccn1 ZINC000805546489 585679142 /nfs/dbraw/zinc/67/91/42/585679142.db2.gz IHPKWJULHWAPQZ-SSDOTTSWSA-N -1 3 233.231 0.821 20 0 BCADHM Cc1n[n-]nc1C(=O)OCC1CCOCC1 ZINC000805546824 585679503 /nfs/dbraw/zinc/67/95/03/585679503.db2.gz RLEZJRDPIQECHS-UHFFFAOYSA-N -1 3 225.248 0.697 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCCc1cnn(C)c1 ZINC000805546632 585679659 /nfs/dbraw/zinc/67/96/59/585679659.db2.gz KGZSPLRCQOWNSN-UHFFFAOYSA-N -1 3 249.274 0.636 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1ncccn1 ZINC000805547869 585680990 /nfs/dbraw/zinc/68/09/90/585680990.db2.gz LCIIVPBJOPIDLG-UHFFFAOYSA-N -1 3 219.204 0.260 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1ccn(C)n1 ZINC000805547358 585681082 /nfs/dbraw/zinc/68/10/82/585681082.db2.gz FTWMCRHXLRLMTN-UHFFFAOYSA-N -1 3 221.220 0.204 20 0 BCADHM CCC(=O)[C@@H](C)OC(=O)c1n[n-]nc1C ZINC000805548092 585681506 /nfs/dbraw/zinc/68/15/06/585681506.db2.gz OTMCAJDTOILNSO-ZCFIWIBFSA-N -1 3 211.221 0.638 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCCCCO ZINC000805548559 585681865 /nfs/dbraw/zinc/68/18/65/585681865.db2.gz ZDSVULNSMFKOMS-UHFFFAOYSA-N -1 3 213.237 0.433 20 0 BCADHM CCOCCON=C([O-])Nc1ccon1 ZINC000775704108 585683610 /nfs/dbraw/zinc/68/36/10/585683610.db2.gz DOKNLJCERLSGLI-UHFFFAOYSA-N -1 3 215.209 0.764 20 0 BCADHM CCOCCO[N-]C(=O)Nc1ccon1 ZINC000775704108 585683611 /nfs/dbraw/zinc/68/36/11/585683611.db2.gz DOKNLJCERLSGLI-UHFFFAOYSA-N -1 3 215.209 0.764 20 0 BCADHM CON(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000775746590 585683634 /nfs/dbraw/zinc/68/36/34/585683634.db2.gz AMHDXVSPKCFCBK-UHFFFAOYSA-N -1 3 249.226 0.595 20 0 BCADHM COc1cccc(NC([O-])=NOCCO)c1 ZINC000776295107 585694952 /nfs/dbraw/zinc/69/49/52/585694952.db2.gz GJRKWWYSFRUQMA-UHFFFAOYSA-N -1 3 226.232 0.741 20 0 BCADHM COc1cccc(NC(=O)[N-]OCCO)c1 ZINC000776295107 585694953 /nfs/dbraw/zinc/69/49/53/585694953.db2.gz GJRKWWYSFRUQMA-UHFFFAOYSA-N -1 3 226.232 0.741 20 0 BCADHM CC(C)c1noc(CCC(=O)[N-]OCCO)n1 ZINC000776579822 585701096 /nfs/dbraw/zinc/70/10/96/585701096.db2.gz OQJSVHIOSXKVOO-UHFFFAOYSA-N -1 3 243.263 0.166 20 0 BCADHM O=C(CCc1cccc(F)c1F)[N-]OCCO ZINC000776583942 585701593 /nfs/dbraw/zinc/70/15/93/585701593.db2.gz OGGKRVRVLMTFGV-UHFFFAOYSA-N -1 3 245.225 0.938 20 0 BCADHM Cc1ccsc1C(=O)[N-]N1CN=NC1=O ZINC000777768438 585719737 /nfs/dbraw/zinc/71/97/37/585719737.db2.gz NGQQECJOIRSMRR-UHFFFAOYSA-N -1 3 224.245 0.738 20 0 BCADHM NC(=O)[C@@H](OC(=O)c1cnn[n-]1)c1ccccc1 ZINC000805602946 585727216 /nfs/dbraw/zinc/72/72/16/585727216.db2.gz AKQUOLXNAXWPIZ-VIFPVBQESA-N -1 3 246.226 0.188 20 0 BCADHM NC(=O)[C@@H](OC(=O)c1c[n-]nn1)c1ccccc1 ZINC000805602946 585727217 /nfs/dbraw/zinc/72/72/17/585727217.db2.gz AKQUOLXNAXWPIZ-VIFPVBQESA-N -1 3 246.226 0.188 20 0 BCADHM O=C(OCCOC[C@H]1CCCO1)c1cnn[n-]1 ZINC000805602975 585727266 /nfs/dbraw/zinc/72/72/66/585727266.db2.gz BMKREQWZEITFCE-MRVPVSSYSA-N -1 3 241.247 0.157 20 0 BCADHM O=C(OCCOC[C@H]1CCCO1)c1c[n-]nn1 ZINC000805602975 585727267 /nfs/dbraw/zinc/72/72/67/585727267.db2.gz BMKREQWZEITFCE-MRVPVSSYSA-N -1 3 241.247 0.157 20 0 BCADHM CC(C)CNC(=O)[C@H](C)OC(=O)c1cnn[n-]1 ZINC000805603075 585727444 /nfs/dbraw/zinc/72/74/44/585727444.db2.gz GBTSIAJGQCRIIC-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM CC(C)CNC(=O)[C@H](C)OC(=O)c1c[n-]nn1 ZINC000805603075 585727445 /nfs/dbraw/zinc/72/74/45/585727445.db2.gz GBTSIAJGQCRIIC-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM Cc1nccn1CCCOC(=O)c1cnn[n-]1 ZINC000805603087 585727668 /nfs/dbraw/zinc/72/76/68/585727668.db2.gz GLBGBJWBFNUKDA-UHFFFAOYSA-N -1 3 235.247 0.557 20 0 BCADHM Cc1nccn1CCCOC(=O)c1c[n-]nn1 ZINC000805603087 585727669 /nfs/dbraw/zinc/72/76/69/585727669.db2.gz GLBGBJWBFNUKDA-UHFFFAOYSA-N -1 3 235.247 0.557 20 0 BCADHM Cc1nccn1CCCOC(=O)c1cn[n-]n1 ZINC000805603087 585727670 /nfs/dbraw/zinc/72/76/70/585727670.db2.gz GLBGBJWBFNUKDA-UHFFFAOYSA-N -1 3 235.247 0.557 20 0 BCADHM O=C(O[C@@H]1CCCCC1=O)c1cnn[n-]1 ZINC000805603584 585729008 /nfs/dbraw/zinc/72/90/08/585729008.db2.gz QKHOSKZNQCAHDG-MRVPVSSYSA-N -1 3 209.205 0.473 20 0 BCADHM O=C(O[C@@H]1CCCCC1=O)c1c[n-]nn1 ZINC000805603584 585729009 /nfs/dbraw/zinc/72/90/09/585729009.db2.gz QKHOSKZNQCAHDG-MRVPVSSYSA-N -1 3 209.205 0.473 20 0 BCADHM O=C(OCc1cnc(Cl)cn1)c1cnn[n-]1 ZINC000805603889 585730018 /nfs/dbraw/zinc/73/00/18/585730018.db2.gz QWQWHXOXKDOKQJ-UHFFFAOYSA-N -1 3 239.622 0.605 20 0 BCADHM O=C(OCc1cnc(Cl)cn1)c1c[n-]nn1 ZINC000805603889 585730019 /nfs/dbraw/zinc/73/00/19/585730019.db2.gz QWQWHXOXKDOKQJ-UHFFFAOYSA-N -1 3 239.622 0.605 20 0 BCADHM CCC(C)(C)NC(=O)COC(=O)c1cnn[n-]1 ZINC000805604650 585730881 /nfs/dbraw/zinc/73/08/81/585730881.db2.gz NPOYKMQBJRARSZ-UHFFFAOYSA-N -1 3 240.263 0.266 20 0 BCADHM CCC(C)(C)NC(=O)COC(=O)c1c[n-]nn1 ZINC000805604650 585730882 /nfs/dbraw/zinc/73/08/82/585730882.db2.gz NPOYKMQBJRARSZ-UHFFFAOYSA-N -1 3 240.263 0.266 20 0 BCADHM O=C(COC(=O)c1cnn[n-]1)c1nccs1 ZINC000805604441 585730962 /nfs/dbraw/zinc/73/09/62/585730962.db2.gz JEQYCJVIRFZSED-UHFFFAOYSA-N -1 3 238.228 0.301 20 0 BCADHM O=C(COC(=O)c1c[n-]nn1)c1nccs1 ZINC000805604441 585730963 /nfs/dbraw/zinc/73/09/63/585730963.db2.gz JEQYCJVIRFZSED-UHFFFAOYSA-N -1 3 238.228 0.301 20 0 BCADHM CCCn1ncnc1COC(=O)c1cnn[n-]1 ZINC000805605974 585732685 /nfs/dbraw/zinc/73/26/85/585732685.db2.gz QMKGITDICMKPSX-UHFFFAOYSA-N -1 3 236.235 0.163 20 0 BCADHM CCCn1ncnc1COC(=O)c1c[n-]nn1 ZINC000805605974 585732686 /nfs/dbraw/zinc/73/26/86/585732686.db2.gz QMKGITDICMKPSX-UHFFFAOYSA-N -1 3 236.235 0.163 20 0 BCADHM Cc1ncsc1CCOC(=O)c1cnn[n-]1 ZINC000805606505 585733372 /nfs/dbraw/zinc/73/33/72/585733372.db2.gz YADTVBKMLWFTMO-UHFFFAOYSA-N -1 3 238.272 0.969 20 0 BCADHM Cc1ncsc1CCOC(=O)c1c[n-]nn1 ZINC000805606505 585733373 /nfs/dbraw/zinc/73/33/73/585733373.db2.gz YADTVBKMLWFTMO-UHFFFAOYSA-N -1 3 238.272 0.969 20 0 BCADHM O=C(OCc1ccc(CO)cc1)c1cnn[n-]1 ZINC000805607081 585734557 /nfs/dbraw/zinc/73/45/57/585734557.db2.gz GMBBOAFHSVFKKR-UHFFFAOYSA-N -1 3 233.227 0.654 20 0 BCADHM O=C(OCc1ccc(CO)cc1)c1c[n-]nn1 ZINC000805607081 585734558 /nfs/dbraw/zinc/73/45/58/585734558.db2.gz GMBBOAFHSVFKKR-UHFFFAOYSA-N -1 3 233.227 0.654 20 0 BCADHM CCCCOC(=O)COC(=O)c1cnn[n-]1 ZINC000805607244 585734594 /nfs/dbraw/zinc/73/45/94/585734594.db2.gz HXBPKSSNYWZZAA-UHFFFAOYSA-N -1 3 227.220 0.305 20 0 BCADHM CCCCOC(=O)COC(=O)c1c[n-]nn1 ZINC000805607244 585734595 /nfs/dbraw/zinc/73/45/95/585734595.db2.gz HXBPKSSNYWZZAA-UHFFFAOYSA-N -1 3 227.220 0.305 20 0 BCADHM CCC[C@@H](OC(=O)c1cnn[n-]1)C(=O)OCC ZINC000805607775 585735033 /nfs/dbraw/zinc/73/50/33/585735033.db2.gz PVLHUMQKRVBQDF-MRVPVSSYSA-N -1 3 241.247 0.693 20 0 BCADHM CCC[C@@H](OC(=O)c1c[n-]nn1)C(=O)OCC ZINC000805607775 585735034 /nfs/dbraw/zinc/73/50/34/585735034.db2.gz PVLHUMQKRVBQDF-MRVPVSSYSA-N -1 3 241.247 0.693 20 0 BCADHM CCC[C@H](OC(=O)c1cnn[n-]1)C(=O)OCC ZINC000805607776 585735065 /nfs/dbraw/zinc/73/50/65/585735065.db2.gz PVLHUMQKRVBQDF-QMMMGPOBSA-N -1 3 241.247 0.693 20 0 BCADHM CCC[C@H](OC(=O)c1c[n-]nn1)C(=O)OCC ZINC000805607776 585735066 /nfs/dbraw/zinc/73/50/66/585735066.db2.gz PVLHUMQKRVBQDF-QMMMGPOBSA-N -1 3 241.247 0.693 20 0 BCADHM C[C@@H](OC(=O)c1cnn[n-]1)C(=O)NC(C)(C)C ZINC000805609244 585736027 /nfs/dbraw/zinc/73/60/27/585736027.db2.gz PFPXPTBNPNNPMS-ZCFIWIBFSA-N -1 3 240.263 0.265 20 0 BCADHM C[C@@H](OC(=O)c1c[n-]nn1)C(=O)NC(C)(C)C ZINC000805609244 585736028 /nfs/dbraw/zinc/73/60/28/585736028.db2.gz PFPXPTBNPNNPMS-ZCFIWIBFSA-N -1 3 240.263 0.265 20 0 BCADHM CC(C)(C)CC(=O)COC(=O)c1cnn[n-]1 ZINC000805609777 585736362 /nfs/dbraw/zinc/73/63/62/585736362.db2.gz UNYXWMMMBGSJLU-UHFFFAOYSA-N -1 3 225.248 0.967 20 0 BCADHM CC(C)(C)CC(=O)COC(=O)c1c[n-]nn1 ZINC000805609777 585736363 /nfs/dbraw/zinc/73/63/63/585736363.db2.gz UNYXWMMMBGSJLU-UHFFFAOYSA-N -1 3 225.248 0.967 20 0 BCADHM Cc1cc(C(=O)O[C@H](C)C(N)=O)ccc1[O-] ZINC000778852488 585741740 /nfs/dbraw/zinc/74/17/40/585741740.db2.gz HQULOTOZYJOJMB-SSDOTTSWSA-N -1 3 223.228 0.731 20 0 BCADHM COc1nnc(NC(=O)c2cccc(OC)n2)[n-]1 ZINC000778957067 585742822 /nfs/dbraw/zinc/74/28/22/585742822.db2.gz YTFLPDMVSKHICZ-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1nc(NC(=O)c2cccc(OC)n2)n[n-]1 ZINC000778957067 585742823 /nfs/dbraw/zinc/74/28/23/585742823.db2.gz YTFLPDMVSKHICZ-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1n[n-]c(NC(=O)c2cccc(OC)n2)n1 ZINC000778957067 585742824 /nfs/dbraw/zinc/74/28/24/585742824.db2.gz YTFLPDMVSKHICZ-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM CC=CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000778963350 585742981 /nfs/dbraw/zinc/74/29/81/585742981.db2.gz BSIBGIOPZQAHEP-ONEGZZNKSA-N -1 3 209.205 0.711 20 0 BCADHM CO[C@@H](C)CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000778963976 585743193 /nfs/dbraw/zinc/74/31/93/585743193.db2.gz FVXZFDKMJWQRLH-YFKPBYRVSA-N -1 3 241.247 0.560 20 0 BCADHM Cc1ccccc1CC(=O)[N-]c1nnnn1C ZINC000779467837 585755454 /nfs/dbraw/zinc/75/54/54/585755454.db2.gz WPGZZQJNOSRVPM-UHFFFAOYSA-N -1 3 231.259 0.700 20 0 BCADHM Cn1nnnc1[N-]C(=O)CSC(C)(C)C ZINC000779464968 585755536 /nfs/dbraw/zinc/75/55/36/585755536.db2.gz DFXQKOLMZRPNRK-UHFFFAOYSA-N -1 3 229.309 0.680 20 0 BCADHM Cn1nnnc1[N-]C(=O)CC[C@H]1CCCO1 ZINC000779465059 585755557 /nfs/dbraw/zinc/75/55/57/585755557.db2.gz FTPBALDTEFBTBQ-SSDOTTSWSA-N -1 3 225.252 0.108 20 0 BCADHM Cn1nnnc1[N-]C(=O)COC1CCCCC1 ZINC000779466903 585755637 /nfs/dbraw/zinc/75/56/37/585755637.db2.gz WVBSUZQBLQNAQK-UHFFFAOYSA-N -1 3 239.279 0.498 20 0 BCADHM Cn1nnnc1[N-]C(=O)Cc1cccs1 ZINC000779467208 585755650 /nfs/dbraw/zinc/75/56/50/585755650.db2.gz MHCCWPLKZUUTKI-UHFFFAOYSA-N -1 3 223.261 0.453 20 0 BCADHM Cn1nnnc1[N-]C(=O)CC1CCCC1 ZINC000779466734 585755665 /nfs/dbraw/zinc/75/56/65/585755665.db2.gz IYXPEYDCUCBLTA-UHFFFAOYSA-N -1 3 209.253 0.729 20 0 BCADHM Cn1nnnc1[N-]C(=O)/C=C/c1ccccc1 ZINC000779466966 585755704 /nfs/dbraw/zinc/75/57/04/585755704.db2.gz XEDLYNQCCFFXKW-BQYQJAHWSA-N -1 3 229.243 0.862 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCc1ccc(F)cc1 ZINC000779467943 585755776 /nfs/dbraw/zinc/75/57/76/585755776.db2.gz WRFDXOLXSLNEAO-UHFFFAOYSA-N -1 3 249.249 0.921 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N[C@@H](CO)C1CC1 ZINC000779679223 585758691 /nfs/dbraw/zinc/75/86/91/585758691.db2.gz XFJFVZDMBFVRIA-GEIFVHNQSA-N -1 3 248.282 0.688 20 0 BCADHM O=C([N-]C1=NCCS1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000779781780 585762775 /nfs/dbraw/zinc/76/27/75/585762775.db2.gz FYTJSIKQFHYFHO-BWZBUEFSSA-N -1 3 226.301 0.630 20 0 BCADHM COC1(C(=O)[N-]C2=NCCS2)CCC1 ZINC000781600447 585800108 /nfs/dbraw/zinc/80/01/08/585800108.db2.gz GIGDYGRHEZJWDK-UHFFFAOYSA-N -1 3 214.290 0.775 20 0 BCADHM CN1CC[C@H](O[N-]C(=O)C(C)(C)C)C1=O ZINC000781615877 585800591 /nfs/dbraw/zinc/80/05/91/585800591.db2.gz CEACNYATYKUOIH-ZETCQYMHSA-N -1 3 214.265 0.311 20 0 BCADHM CC(=O)[N-]OCCOC[C@@H]1CCCO1 ZINC000782320377 585814871 /nfs/dbraw/zinc/81/48/71/585814871.db2.gz GTVYIWILNVNVSV-VIFPVBQESA-N -1 3 203.238 0.250 20 0 BCADHM CO[C@@H](C)COC(=O)c1cncc([O-])c1 ZINC000782334147 585815355 /nfs/dbraw/zinc/81/53/55/585815355.db2.gz FITZVEJHIXLRTP-ZETCQYMHSA-N -1 3 211.217 0.979 20 0 BCADHM Cc1ncc(C(=O)[N-]N2CCCNC2=O)c(C)n1 ZINC000783604615 585838153 /nfs/dbraw/zinc/83/81/53/585838153.db2.gz QBEBEVQOGJQDPF-UHFFFAOYSA-N -1 3 249.274 0.154 20 0 BCADHM Cc1cncc(C(=O)[N-]N2CCCNC2=O)c1 ZINC000783605771 585838214 /nfs/dbraw/zinc/83/82/14/585838214.db2.gz LWLXUQFXDCZDRY-UHFFFAOYSA-N -1 3 234.259 0.450 20 0 BCADHM CN(C(=O)c1cccc2nn[n-]c21)c1cn[nH]c1 ZINC000783651792 585839421 /nfs/dbraw/zinc/83/94/21/585839421.db2.gz XIPGEYVSGUCFSO-UHFFFAOYSA-N -1 3 242.242 0.958 20 0 BCADHM CN(C(=O)c1cccc2[n-]nnc21)c1cn[nH]c1 ZINC000783651792 585839422 /nfs/dbraw/zinc/83/94/22/585839422.db2.gz XIPGEYVSGUCFSO-UHFFFAOYSA-N -1 3 242.242 0.958 20 0 BCADHM CN(C(=O)c1cccc2n[n-]nc21)c1cn[nH]c1 ZINC000783651792 585839423 /nfs/dbraw/zinc/83/94/23/585839423.db2.gz XIPGEYVSGUCFSO-UHFFFAOYSA-N -1 3 242.242 0.958 20 0 BCADHM O=C(c1ccccc1[O-])N1C[C@H]2C[C@@]2(CO)C1 ZINC000783803521 585843695 /nfs/dbraw/zinc/84/36/95/585843695.db2.gz AOEMIUACWNRJPK-RNCFNFMXSA-N -1 3 233.267 0.847 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)[N-]C2=NCCS2)CO1 ZINC000784041162 585847904 /nfs/dbraw/zinc/84/79/04/585847904.db2.gz YDTJXWGWDGLYKY-RNFRBKRXSA-N -1 3 214.290 0.630 20 0 BCADHM CC(C)[C@H](F)C(=O)[N-]c1nncn1C ZINC000784155512 585851928 /nfs/dbraw/zinc/85/19/28/585851928.db2.gz JAAYAERIRZBESX-LURJTMIESA-N -1 3 200.217 0.748 20 0 BCADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(N)=O ZINC000786031405 585885667 /nfs/dbraw/zinc/88/56/67/585885667.db2.gz QBMXUKURCGIGIZ-RXMQYKEDSA-N -1 3 222.200 0.792 20 0 BCADHM O=C(O[C@@H]1CCNC1=O)c1cc2occc2[n-]1 ZINC000786034823 585885849 /nfs/dbraw/zinc/88/58/49/585885849.db2.gz WRCFOJIHKOWJNB-MRVPVSSYSA-N -1 3 234.211 0.806 20 0 BCADHM Cc1ccc(CC(=O)[N-]OCCO)cc1O ZINC000787283299 585903893 /nfs/dbraw/zinc/90/38/93/585903893.db2.gz BYYPWTBLFZHFBN-UHFFFAOYSA-N -1 3 225.244 0.283 20 0 BCADHM C[C@@H]1CCC[C@@H]1CC(=O)[N-]OCCO ZINC000787281355 585904722 /nfs/dbraw/zinc/90/47/22/585904722.db2.gz BLAHVOJORLPASI-RKDXNWHRSA-N -1 3 201.266 0.853 20 0 BCADHM Cc1sccc1CC(=O)[N-]OCCO ZINC000787283835 585905002 /nfs/dbraw/zinc/90/50/02/585905002.db2.gz FNSPHGBYTNKPPI-UHFFFAOYSA-N -1 3 215.274 0.639 20 0 BCADHM O=C([N-]OCCO)[C@@H]1C[C@]12CCc1ccccc12 ZINC000787286352 585905094 /nfs/dbraw/zinc/90/50/94/585905094.db2.gz WTPHYSFHKJGNGN-JSGCOSHPSA-N -1 3 247.294 0.931 20 0 BCADHM Cc1cc(C)n([C@H](C)CC(=O)[N-]OCCO)n1 ZINC000787286283 585905126 /nfs/dbraw/zinc/90/51/26/585905126.db2.gz DPDWDJPJTHVLHH-SNVBAGLBSA-N -1 3 241.291 0.491 20 0 BCADHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)[N-]OCCO ZINC000787291568 585905146 /nfs/dbraw/zinc/90/51/46/585905146.db2.gz BOTCRRVSYGKXHL-ZETCQYMHSA-N -1 3 241.291 0.560 20 0 BCADHM Cc1noc(C)c1[C@@H](C)CC(=O)[N-]OCCO ZINC000787293145 585905525 /nfs/dbraw/zinc/90/55/25/585905525.db2.gz MJZKFEAFPUVULN-ZETCQYMHSA-N -1 3 242.275 0.825 20 0 BCADHM CCC1(C(=O)[N-]OCCO)CCOCC1 ZINC000787296319 585905734 /nfs/dbraw/zinc/90/57/34/585905734.db2.gz XIRABXTYYRPIGM-UHFFFAOYSA-N -1 3 217.265 0.233 20 0 BCADHM CC(C)COCCC(=O)[N-]OCCO ZINC000787294881 585905959 /nfs/dbraw/zinc/90/59/59/585905959.db2.gz VVPLKDASEREXJW-UHFFFAOYSA-N -1 3 205.254 0.089 20 0 BCADHM CC(C)(O)CCC(=O)[N-]OC[C@H]1CCOC1 ZINC000787575412 585912112 /nfs/dbraw/zinc/91/21/12/585912112.db2.gz YJHFTCLPMDWXLU-VIFPVBQESA-N -1 3 231.292 0.622 20 0 BCADHM C[C@H](O)COC(=O)c1ccc([O-])cc1O ZINC000787593990 585912666 /nfs/dbraw/zinc/91/26/66/585912666.db2.gz YSNIIBXZUVZLQD-LURJTMIESA-N -1 3 212.201 0.635 20 0 BCADHM CCc1cc(NC(=O)c2n[n-]nc2C)n(C)n1 ZINC000789951878 585954806 /nfs/dbraw/zinc/95/48/06/585954806.db2.gz HNRBLWTZGBGHLK-UHFFFAOYSA-N -1 3 234.263 0.661 20 0 BCADHM Cc1nnc([N-]C(=O)c2n[nH]nc2C)s1 ZINC000790070224 585956458 /nfs/dbraw/zinc/95/64/58/585956458.db2.gz MEMDYLWKJSKJKI-UHFFFAOYSA-N -1 3 224.249 0.525 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](CO)C2CC2)n1 ZINC000790338236 585963836 /nfs/dbraw/zinc/96/38/36/585963836.db2.gz LEMDRWVALRCVLG-WCBMZHEXSA-N -1 3 237.303 0.912 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](CO)C2CC2)n1 ZINC000790338235 585963927 /nfs/dbraw/zinc/96/39/27/585963927.db2.gz LEMDRWVALRCVLG-SCZZXKLOSA-N -1 3 237.303 0.912 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000790348532 585964133 /nfs/dbraw/zinc/96/41/33/585964133.db2.gz XKKPFBUIJRLREP-CWSCBRNRSA-N -1 3 249.314 0.866 20 0 BCADHM COCCO[N-]C(=O)CCCn1cccc1 ZINC000790448650 585965004 /nfs/dbraw/zinc/96/50/04/585965004.db2.gz ALUMJFSUVRBXBY-UHFFFAOYSA-N -1 3 226.276 0.963 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C[C@H]1CCCO1 ZINC000791264471 585975743 /nfs/dbraw/zinc/97/57/43/585975743.db2.gz RGSWKKYFIAMHRM-MRVPVSSYSA-N -1 3 217.265 0.374 20 0 BCADHM CO[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000792053123 585995135 /nfs/dbraw/zinc/99/51/35/585995135.db2.gz XYYWHWNKYDCKIQ-LURJTMIESA-N -1 3 226.198 0.548 20 0 BCADHM CCc1cc(NC([O-])=NOCCOC)no1 ZINC000792313402 585999578 /nfs/dbraw/zinc/99/95/78/585999578.db2.gz QAJNFPSKJRLZNN-UHFFFAOYSA-N -1 3 229.236 0.937 20 0 BCADHM CCc1cc(NC(=O)[N-]OCCOC)no1 ZINC000792313402 585999579 /nfs/dbraw/zinc/99/95/79/585999579.db2.gz QAJNFPSKJRLZNN-UHFFFAOYSA-N -1 3 229.236 0.937 20 0 BCADHM CC(C)Cn1cc(NC([O-])=NOCCO)cn1 ZINC000792316062 585999627 /nfs/dbraw/zinc/99/96/27/585999627.db2.gz CHTJYSBZGOXWHZ-UHFFFAOYSA-N -1 3 242.279 0.585 20 0 BCADHM CC(C)Cn1cc(NC(=O)[N-]OCCO)cn1 ZINC000792316062 585999628 /nfs/dbraw/zinc/99/96/28/585999628.db2.gz CHTJYSBZGOXWHZ-UHFFFAOYSA-N -1 3 242.279 0.585 20 0 BCADHM CC(C)c1cc(NC([O-])=NOCCO)no1 ZINC000792320053 585999856 /nfs/dbraw/zinc/99/98/56/585999856.db2.gz BNCNCUHHMUFDCX-UHFFFAOYSA-N -1 3 229.236 0.843 20 0 BCADHM CC(C)c1cc(NC(=O)[N-]OCCO)no1 ZINC000792320053 585999857 /nfs/dbraw/zinc/99/98/57/585999857.db2.gz BNCNCUHHMUFDCX-UHFFFAOYSA-N -1 3 229.236 0.843 20 0 BCADHM CCc1nn(C)cc1NC([O-])=NOCCO ZINC000792356516 585999932 /nfs/dbraw/zinc/99/99/32/585999932.db2.gz LSPLRHJIQFCDOW-UHFFFAOYSA-N -1 3 228.252 0.028 20 0 BCADHM CCc1nn(C)cc1NC(=O)[N-]OCCO ZINC000792356516 585999933 /nfs/dbraw/zinc/99/99/33/585999933.db2.gz LSPLRHJIQFCDOW-UHFFFAOYSA-N -1 3 228.252 0.028 20 0 BCADHM CC(C)(O)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000792476224 586000989 /nfs/dbraw/zinc/00/09/89/586000989.db2.gz QNKAXGPRLOBPCQ-MRVPVSSYSA-N -1 3 217.265 0.232 20 0 BCADHM CCOCCO[N-]C(=O)CCc1cncn1C ZINC000793845507 586027677 /nfs/dbraw/zinc/02/76/77/586027677.db2.gz VXAFELOSTCAZTE-UHFFFAOYSA-N -1 3 241.291 0.437 20 0 BCADHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)[N-]OCCO ZINC000793855765 586028060 /nfs/dbraw/zinc/02/80/60/586028060.db2.gz OPUBTWCYXICALU-JGVFFNPUSA-N -1 3 215.249 0.032 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]OCCSC ZINC000794180981 586034264 /nfs/dbraw/zinc/03/42/64/586034264.db2.gz OOQFEMBCJIRECX-QMMMGPOBSA-N -1 3 221.322 0.948 20 0 BCADHM CCCN(C)CC(=O)[N-]OCCSC ZINC000794192859 586034668 /nfs/dbraw/zinc/03/46/68/586034668.db2.gz GCIJGSGDMLKZSM-UHFFFAOYSA-N -1 3 220.338 0.739 20 0 BCADHM Cc1nccc(NC([O-])=NOCC(C)(C)O)n1 ZINC000794293021 586037323 /nfs/dbraw/zinc/03/73/23/586037323.db2.gz TZGFAVXRAAGBDB-UHFFFAOYSA-N -1 3 240.263 0.609 20 0 BCADHM Cc1nccc(NC(=O)[N-]OCC(C)(C)O)n1 ZINC000794293021 586037324 /nfs/dbraw/zinc/03/73/24/586037324.db2.gz TZGFAVXRAAGBDB-UHFFFAOYSA-N -1 3 240.263 0.609 20 0 BCADHM COCCCON=C([O-])Nc1cc(C)nn1C ZINC000794807545 586049362 /nfs/dbraw/zinc/04/93/62/586049362.db2.gz TXJDYMHKZYBZAU-UHFFFAOYSA-N -1 3 242.279 0.818 20 0 BCADHM COCCCO[N-]C(=O)Nc1cc(C)nn1C ZINC000794807545 586049363 /nfs/dbraw/zinc/04/93/63/586049363.db2.gz TXJDYMHKZYBZAU-UHFFFAOYSA-N -1 3 242.279 0.818 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000794840950 586050478 /nfs/dbraw/zinc/05/04/78/586050478.db2.gz BGDFQSOXVDFMKU-UWVGGRQHSA-N -1 3 242.319 0.949 20 0 BCADHM CCNC(=O)CCC(=O)[N-]OCCOC(C)C ZINC000795065969 586067750 /nfs/dbraw/zinc/06/77/50/586067750.db2.gz PCQRMKXYKJGJDJ-UHFFFAOYSA-N -1 3 246.307 0.376 20 0 BCADHM Cc1nnc(COC(=O)c2cncc([O-])c2)[nH]1 ZINC000795399955 586077571 /nfs/dbraw/zinc/07/75/71/586077571.db2.gz ATMUCGMWRJMRIO-UHFFFAOYSA-N -1 3 234.215 0.571 20 0 BCADHM Cc1nc(COC(=O)c2cncc([O-])c2)n[nH]1 ZINC000795399955 586077573 /nfs/dbraw/zinc/07/75/73/586077573.db2.gz ATMUCGMWRJMRIO-UHFFFAOYSA-N -1 3 234.215 0.571 20 0 BCADHM O=C(NCCF)c1cc2n[n-]nc2cc1F ZINC000798059033 586136204 /nfs/dbraw/zinc/13/62/04/586136204.db2.gz DGRIVKAPSAUVGK-UHFFFAOYSA-N -1 3 226.186 0.796 20 0 BCADHM CSC[C@@H](C)C(=O)[N-]OCC(C)(C)O ZINC000798128774 586137664 /nfs/dbraw/zinc/13/76/64/586137664.db2.gz DOWNNBLYNPSYMH-SSDOTTSWSA-N -1 3 221.322 0.804 20 0 BCADHM NC(=O)COC(=O)c1nn[n-]c1-c1ccccc1 ZINC000798191186 586139213 /nfs/dbraw/zinc/13/92/13/586139213.db2.gz AVFUZIKZMSVRFN-UHFFFAOYSA-N -1 3 246.226 0.114 20 0 BCADHM NC(=O)COC(=O)c1[n-]nnc1-c1ccccc1 ZINC000798191186 586139214 /nfs/dbraw/zinc/13/92/14/586139214.db2.gz AVFUZIKZMSVRFN-UHFFFAOYSA-N -1 3 246.226 0.114 20 0 BCADHM NC(=O)COC(=O)c1n[n-]nc1-c1ccccc1 ZINC000798191186 586139215 /nfs/dbraw/zinc/13/92/15/586139215.db2.gz AVFUZIKZMSVRFN-UHFFFAOYSA-N -1 3 246.226 0.114 20 0 BCADHM Cn1nnc(COC(=O)c2ccc([O-])cc2)n1 ZINC000799455294 586176901 /nfs/dbraw/zinc/17/69/01/586176901.db2.gz KUHRKQFOSJALPF-UHFFFAOYSA-N -1 3 234.215 0.273 20 0 BCADHM O=C([O-])N[C@@H]1CCN([C@@H]2CCOC2)C1 ZINC000116697751 589033406 /nfs/dbraw/zinc/03/34/06/589033406.db2.gz BUIZALKIZOLIGK-HTQZYQBOSA-N -1 3 200.238 0.117 20 0 BCADHM COCOCCC[N-]S(=O)(=O)c1ccco1 ZINC000859384105 589034974 /nfs/dbraw/zinc/03/49/74/589034974.db2.gz YSJVTFFJOMCMJT-UHFFFAOYSA-N -1 3 249.288 0.569 20 0 BCADHM O=C(CNC(=O)c1cccc([O-])c1)OCCF ZINC000803448678 586356652 /nfs/dbraw/zinc/35/66/52/586356652.db2.gz VVZXTSNQDWLCGW-UHFFFAOYSA-N -1 3 241.218 0.635 20 0 BCADHM CC(C)=CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000808258316 586468874 /nfs/dbraw/zinc/46/88/74/586468874.db2.gz DYFHKVDHZIHRJZ-UHFFFAOYSA-N -1 3 223.276 0.725 20 0 BCADHM CC[C@](C)([N-]C(=O)C(C)(F)F)C(N)=O ZINC000808461330 586473532 /nfs/dbraw/zinc/47/35/32/586473532.db2.gz JIWUCKCREJIBQG-ZETCQYMHSA-N -1 3 208.208 0.412 20 0 BCADHM CC(F)(F)C(=O)[N-]CC(=O)NCC1CC1 ZINC000808465756 586474779 /nfs/dbraw/zinc/47/47/79/586474779.db2.gz HTHHABSLSUELLQ-UHFFFAOYSA-N -1 3 220.219 0.284 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1nnnn1CC1CC1 ZINC000808466835 586475044 /nfs/dbraw/zinc/47/50/44/586475044.db2.gz NGRXAQIJHVYEDA-UHFFFAOYSA-N -1 3 245.233 0.355 20 0 BCADHM O=C(NCCOC1CCC1)c1cc(=O)[n-]cn1 ZINC000859684727 589054760 /nfs/dbraw/zinc/05/47/60/589054760.db2.gz LMICLWNGCZGURK-UHFFFAOYSA-N -1 3 237.259 0.481 20 0 BCADHM CO[N-]C(=O)C[C@H](CC(C)(C)C)C(=O)NOC ZINC000809595859 586508416 /nfs/dbraw/zinc/50/84/16/586508416.db2.gz SZOZQDDTKPMANJ-MRVPVSSYSA-N -1 3 246.307 0.784 20 0 BCADHM COCCO[N-]C(=O)C[C@@H](C)CC(=O)OC ZINC000809709237 586513730 /nfs/dbraw/zinc/51/37/30/586513730.db2.gz MUACVWXZJXDYKJ-MRVPVSSYSA-N -1 3 233.264 0.270 20 0 BCADHM COCCO[N-]C(=O)C[C@H](C)CC(=O)OC ZINC000809709238 586514290 /nfs/dbraw/zinc/51/42/90/586514290.db2.gz MUACVWXZJXDYKJ-QMMMGPOBSA-N -1 3 233.264 0.270 20 0 BCADHM COC(C)(C)CS(=O)(=O)[N-]Cc1ccon1 ZINC000809824045 586521754 /nfs/dbraw/zinc/52/17/54/586521754.db2.gz IVYALVUQQRZPDT-UHFFFAOYSA-N -1 3 248.304 0.519 20 0 BCADHM Cn1nncc1NC([O-])=NOC/C=C\Cl ZINC000810234588 586537239 /nfs/dbraw/zinc/53/72/39/586537239.db2.gz GCGVKHYRIMSOAI-IHWYPQMZSA-N -1 3 231.643 0.621 20 0 BCADHM Cn1nncc1NC(=O)[N-]OC/C=C\Cl ZINC000810234588 586537241 /nfs/dbraw/zinc/53/72/41/586537241.db2.gz GCGVKHYRIMSOAI-IHWYPQMZSA-N -1 3 231.643 0.621 20 0 BCADHM Cn1nncc1NC([O-])=NOC/C=C/Cl ZINC000810234589 586537398 /nfs/dbraw/zinc/53/73/98/586537398.db2.gz GCGVKHYRIMSOAI-NSCUHMNNSA-N -1 3 231.643 0.621 20 0 BCADHM Cn1nncc1NC(=O)[N-]OC/C=C/Cl ZINC000810234589 586537399 /nfs/dbraw/zinc/53/73/99/586537399.db2.gz GCGVKHYRIMSOAI-NSCUHMNNSA-N -1 3 231.643 0.621 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1CCCSC1 ZINC000810478916 586539650 /nfs/dbraw/zinc/53/96/50/586539650.db2.gz DUDVAYPCKFUVPV-MRVPVSSYSA-N -1 3 219.306 0.824 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCC1CC1 ZINC000840207200 586545566 /nfs/dbraw/zinc/54/55/66/586545566.db2.gz LKKZBGMFRLIQOP-SSDOTTSWSA-N -1 3 232.305 0.194 20 0 BCADHM Cc1ncccc1COC(=O)c1cnn[n-]1 ZINC000811223976 586557456 /nfs/dbraw/zinc/55/74/56/586557456.db2.gz SFDBMGJQJDDXGB-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM Cc1ncccc1COC(=O)c1c[n-]nn1 ZINC000811223976 586557457 /nfs/dbraw/zinc/55/74/57/586557457.db2.gz SFDBMGJQJDDXGB-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM CCc1cc(C(=O)OCC(N)=O)ccc1[O-] ZINC000811306283 586557794 /nfs/dbraw/zinc/55/77/94/586557794.db2.gz MSUPSVCYYGPNTR-UHFFFAOYSA-N -1 3 223.228 0.597 20 0 BCADHM CCc1cc(C(=O)O[C@@H](C)C(N)=O)ccc1[O-] ZINC000811304870 586557921 /nfs/dbraw/zinc/55/79/21/586557921.db2.gz BRSIPSIWJDQLBN-ZETCQYMHSA-N -1 3 237.255 0.985 20 0 BCADHM COCCCO[N-]C(=O)C[C@H](C)CC(=O)OC ZINC000811526906 586560739 /nfs/dbraw/zinc/56/07/39/586560739.db2.gz MOZHGGXOTHZEIG-VIFPVBQESA-N -1 3 247.291 0.660 20 0 BCADHM COCCCO[N-]C(=O)C[C@@H](C)CC(=O)OC ZINC000811526905 586560793 /nfs/dbraw/zinc/56/07/93/586560793.db2.gz MOZHGGXOTHZEIG-SECBINFHSA-N -1 3 247.291 0.660 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C[C@H]1CCCO1 ZINC000811561288 586561091 /nfs/dbraw/zinc/56/10/91/586561091.db2.gz PJBBTHFNMRDNGG-SECBINFHSA-N -1 3 245.275 0.557 20 0 BCADHM COC(=O)CCCO[N-]C(=O)[C@@H]1CCSC1 ZINC000811559679 586561239 /nfs/dbraw/zinc/56/12/39/586561239.db2.gz JYTXQCJCQKCPTC-MRVPVSSYSA-N -1 3 247.316 0.741 20 0 BCADHM COC(=O)CCCO[N-]C(=O)[C@H]1CCCN1C ZINC000811562146 586561537 /nfs/dbraw/zinc/56/15/37/586561537.db2.gz KIWARVZOEDBSJO-SECBINFHSA-N -1 3 244.291 0.082 20 0 BCADHM NC(=O)NCCCCC(=O)[N-]OC/C=C\Cl ZINC000812405527 586576316 /nfs/dbraw/zinc/57/63/16/586576316.db2.gz AXSIPCCOSRCLHG-HYXAFXHYSA-N -1 3 249.698 0.625 20 0 BCADHM NC(=O)CCCC(=O)[N-]OC1CCC1 ZINC000812796098 586585150 /nfs/dbraw/zinc/58/51/50/586585150.db2.gz RSPVYCOSOUWKCK-UHFFFAOYSA-N -1 3 200.238 0.242 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]OC1CCC1 ZINC000812792116 586585380 /nfs/dbraw/zinc/58/53/80/586585380.db2.gz LZPZXLXUGSWFQW-ZETCQYMHSA-N -1 3 215.249 0.786 20 0 BCADHM CC(C)OCCO[N-]C(=O)c1ccc(=O)[nH]c1 ZINC000812805249 586586744 /nfs/dbraw/zinc/58/67/44/586586744.db2.gz ZHPJFFKVLZBEFM-UHFFFAOYSA-N -1 3 240.259 0.874 20 0 BCADHM CC(C)OCCO[N-]C(=O)CN(C)C(C)C ZINC000812805746 586586778 /nfs/dbraw/zinc/58/67/78/586586778.db2.gz YNPISYFTSRSKDX-UHFFFAOYSA-N -1 3 232.324 0.799 20 0 BCADHM CCN(CC(=O)[N-]OCCOC(C)C)C1CC1 ZINC000812806492 586586911 /nfs/dbraw/zinc/58/69/11/586586911.db2.gz FEOHFVZXXHRJCP-UHFFFAOYSA-N -1 3 244.335 0.944 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]OCCOC(C)C ZINC000812806445 586586992 /nfs/dbraw/zinc/58/69/92/586586992.db2.gz CMQDYGSNQGDXKC-SECBINFHSA-N -1 3 247.291 0.658 20 0 BCADHM COCCCC(=O)[N-]OCCOC(C)C ZINC000812808157 586587007 /nfs/dbraw/zinc/58/70/07/586587007.db2.gz UVMUKGQWKAZUNG-UHFFFAOYSA-N -1 3 219.281 0.886 20 0 BCADHM COC(=O)c1cc(C(=O)OCc2cn[nH]c2)c[n-]1 ZINC000814529217 586623649 /nfs/dbraw/zinc/62/36/49/586623649.db2.gz VJAOJSCQNNEUAK-UHFFFAOYSA-N -1 3 249.226 0.881 20 0 BCADHM C[C@@H]1CC[C@@H](OC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000815231076 586674673 /nfs/dbraw/zinc/67/46/73/586674673.db2.gz YHUKHHKSIKMECT-PRJMDXOYSA-N -1 3 240.259 0.316 20 0 BCADHM COCCONC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000815754107 586693424 /nfs/dbraw/zinc/69/34/24/586693424.db2.gz CJSZATHXUDZHEQ-UHFFFAOYSA-N -1 3 242.231 0.109 20 0 BCADHM COC[C@](C)([N-]C(=O)C(C)(F)F)C(=O)OC ZINC000815782530 586693762 /nfs/dbraw/zinc/69/37/62/586693762.db2.gz OWASJXQJOITNCB-QMMMGPOBSA-N -1 3 239.218 0.336 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1CCNC(=O)CC1 ZINC000815881489 586695936 /nfs/dbraw/zinc/69/59/36/586695936.db2.gz PPKBRLRUSXCOOY-MRVPVSSYSA-N -1 3 249.270 0.064 20 0 BCADHM O=C(CCc1cncs1)[N-]OCCO ZINC000816175470 586711485 /nfs/dbraw/zinc/71/14/85/586711485.db2.gz YLDWEKYDQYYAMP-UHFFFAOYSA-N -1 3 216.262 0.116 20 0 BCADHM CC(C)(CC(=O)[N-]OCCO)C1CC1 ZINC000816175252 586711498 /nfs/dbraw/zinc/71/14/98/586711498.db2.gz NPLIEBVWKOPXGQ-UHFFFAOYSA-N -1 3 201.266 0.853 20 0 BCADHM COC(=O)CCCCC(=O)[N-]OCC(C)(C)O ZINC000816381413 586723087 /nfs/dbraw/zinc/72/30/87/586723087.db2.gz LSGMRUZZQBBIQT-UHFFFAOYSA-N -1 3 247.291 0.539 20 0 BCADHM CC(C)CO[N-]C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000816953860 586772738 /nfs/dbraw/zinc/77/27/38/586772738.db2.gz ORXXLEGLJVMUHT-YUMQZZPRSA-N -1 3 214.265 0.202 20 0 BCADHM CON(C)C(=O)C[N-]c1nnc(C(C)C)o1 ZINC000817127788 586783327 /nfs/dbraw/zinc/78/33/27/586783327.db2.gz ZTBHXNNALXJHAU-UHFFFAOYSA-N -1 3 228.252 0.625 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]OCC1CC1 ZINC000817368054 586794014 /nfs/dbraw/zinc/79/40/14/586794014.db2.gz PCQFFKYZKPHADV-VIFPVBQESA-N -1 3 201.266 0.995 20 0 BCADHM COC[C@H](C)CNC(=O)c1ccc(N)cc1[O-] ZINC000817928242 586841989 /nfs/dbraw/zinc/84/19/89/586841989.db2.gz ZEBFSQKLACMUFK-MRVPVSSYSA-N -1 3 238.287 0.987 20 0 BCADHM CC[C@H](O)CCNC(=O)c1ccc(N)cc1[O-] ZINC000817932832 586843692 /nfs/dbraw/zinc/84/36/92/586843692.db2.gz XRGVBTHEKZCXFI-VIFPVBQESA-N -1 3 238.287 0.865 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)OC[C@H]1CCCN1CC(=O)[O-] ZINC000818090045 586872052 /nfs/dbraw/zinc/87/20/52/586872052.db2.gz KWYCZTHBYRJJCL-OPRDCNLKSA-N -1 3 241.287 0.735 20 0 BCADHM CCCCCNC(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000818162087 586878107 /nfs/dbraw/zinc/87/81/07/586878107.db2.gz QISDGCVBFUDXDI-SNVBAGLBSA-N -1 3 242.319 0.699 20 0 BCADHM CCOCC(=O)OC[C@H]1CCCN1CC(=O)[O-] ZINC000818232560 586880898 /nfs/dbraw/zinc/88/08/98/586880898.db2.gz FLRFDJZOEADJTQ-SECBINFHSA-N -1 3 245.275 0.115 20 0 BCADHM CC[C@@H](NC(=O)C1(N(C)C)CCC1)C(=O)[O-] ZINC000818273452 586882731 /nfs/dbraw/zinc/88/27/31/586882731.db2.gz CTCPOAJRAPGELC-MRVPVSSYSA-N -1 3 228.292 0.450 20 0 BCADHM CN(CCC(=O)[O-])Cc1cnc2ccnn2c1 ZINC000818467763 586893026 /nfs/dbraw/zinc/89/30/26/586893026.db2.gz MZJMZFPIKIQENO-UHFFFAOYSA-N -1 3 234.259 0.636 20 0 BCADHM COC(=O)/C(C)=C/CN1CCC[C@H]1C(=O)[O-] ZINC000818500700 586894886 /nfs/dbraw/zinc/89/48/86/586894886.db2.gz YMFAKJVDUAHRHN-QRJSTWQJSA-N -1 3 227.260 0.655 20 0 BCADHM COCCn1cc(CN[C@H](C)C(=O)[O-])cn1 ZINC000818547484 586899393 /nfs/dbraw/zinc/89/93/93/586899393.db2.gz OGTYLGRQNKGOIQ-MRVPVSSYSA-N -1 3 227.264 0.092 20 0 BCADHM COCCO[N-]C(=O)/C=C/[C@@H]1CCCO1 ZINC000819356442 586956524 /nfs/dbraw/zinc/95/65/24/586956524.db2.gz YNYFYZPTDOPJIL-MOVJSRMASA-N -1 3 215.249 0.416 20 0 BCADHM O=C([O-])CN1CCC[C@@H]1COC(=O)C1CC1 ZINC000819513105 586972189 /nfs/dbraw/zinc/97/21/89/586972189.db2.gz FKXYYGFDXKAXGM-SECBINFHSA-N -1 3 227.260 0.489 20 0 BCADHM CN(C)C(=O)CCCC(=O)[N-]OCC(C)(C)O ZINC000819542354 586975587 /nfs/dbraw/zinc/97/55/87/586975587.db2.gz RRLYYKKRHASILA-UHFFFAOYSA-N -1 3 246.307 0.064 20 0 BCADHM CC(=O)N[C@@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819763514 586991160 /nfs/dbraw/zinc/99/11/60/586991160.db2.gz OWZNKPZVZRVMCC-WDSKDSINSA-N -1 3 229.305 0.119 20 0 BCADHM CO[C@@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819766457 586990822 /nfs/dbraw/zinc/99/08/22/586990822.db2.gz OKQISZLLTFLXMA-WDSKDSINSA-N -1 3 202.279 0.629 20 0 BCADHM COC(=O)C1(C(=O)[N-]C2=NC[C@H](C)S2)CC1 ZINC000819777029 586992533 /nfs/dbraw/zinc/99/25/33/586992533.db2.gz RNSYORSDBGLURD-LURJTMIESA-N -1 3 242.300 0.547 20 0 BCADHM CSCC[C@@H](O)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819777343 586993235 /nfs/dbraw/zinc/99/32/35/586993235.db2.gz RFEFMYVJHKVCBP-RNFRBKRXSA-N -1 3 248.373 0.708 20 0 BCADHM CSCC[C@@H](O)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819777339 586993248 /nfs/dbraw/zinc/99/32/48/586993248.db2.gz RFEFMYVJHKVCBP-NKWVEPMBSA-N -1 3 248.373 0.708 20 0 BCADHM CC(=O)N1CC(C(=O)[N-]C2=NC[C@@H](C)S2)C1 ZINC000819781087 586994209 /nfs/dbraw/zinc/99/42/09/586994209.db2.gz JAGQFSQMECXYJB-ZCFIWIBFSA-N -1 3 241.316 0.072 20 0 BCADHM CC[C@@H](CO)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819781205 586994238 /nfs/dbraw/zinc/99/42/38/586994238.db2.gz JTVRFPAGFBLFJW-BQBZGAKWSA-N -1 3 216.306 0.612 20 0 BCADHM CC[C@@H](O)CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819779911 586994308 /nfs/dbraw/zinc/99/43/08/586994308.db2.gz CGPDRORDZIPTRT-RNFRBKRXSA-N -1 3 216.306 0.755 20 0 BCADHM CC(=O)OC(C)(C)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819782643 586994670 /nfs/dbraw/zinc/99/46/70/586994670.db2.gz PBZIXFAHTFFDSN-ZCFIWIBFSA-N -1 3 244.316 0.936 20 0 BCADHM O=C(C=CC1CC1)[N-]c1nnc2[nH]cnn12 ZINC000819981925 587009806 /nfs/dbraw/zinc/00/98/06/587009806.db2.gz UBVYXHRUPDMMFH-ONEGZZNKSA-N -1 3 218.220 0.357 20 0 BCADHM CC(C)N(CC(=O)NCC(=O)[O-])C(C)C ZINC000819996393 587011133 /nfs/dbraw/zinc/01/11/33/587011133.db2.gz MUEYGIJGHJKGTQ-UHFFFAOYSA-N -1 3 216.281 0.306 20 0 BCADHM C[C@@H](CO)Sc1ncccc1-c1nnn[n-]1 ZINC000820288152 587041339 /nfs/dbraw/zinc/04/13/39/587041339.db2.gz SWLLWSWOUADLRB-LURJTMIESA-N -1 3 237.288 0.735 20 0 BCADHM C[C@@H](CO)Sc1ncccc1-c1nn[n-]n1 ZINC000820288152 587041341 /nfs/dbraw/zinc/04/13/41/587041341.db2.gz SWLLWSWOUADLRB-LURJTMIESA-N -1 3 237.288 0.735 20 0 BCADHM C[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820288810 587041381 /nfs/dbraw/zinc/04/13/81/587041381.db2.gz YFUHCHJGVRDSGN-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM C[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820288810 587041382 /nfs/dbraw/zinc/04/13/82/587041382.db2.gz YFUHCHJGVRDSGN-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM CCC[C@H]1CN(CC(=O)[O-])CCN1CCOC ZINC000820311293 587042914 /nfs/dbraw/zinc/04/29/14/587042914.db2.gz SIEJUAXBMMXQMZ-NSHDSACASA-N -1 3 244.335 0.504 20 0 BCADHM C[C@@H](O)CCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC000820473771 587050666 /nfs/dbraw/zinc/05/06/66/587050666.db2.gz LOBPKDKUHWENFF-MRVPVSSYSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@@H](O)CCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC000820473771 587050667 /nfs/dbraw/zinc/05/06/67/587050667.db2.gz LOBPKDKUHWENFF-MRVPVSSYSA-N -1 3 248.290 0.469 20 0 BCADHM Cn1cnc(/C=C/C(=O)[N-]OCC2CC2)c1 ZINC000820484973 587051271 /nfs/dbraw/zinc/05/12/71/587051271.db2.gz SOIFYBLDZMLEIA-SNAWJCMRSA-N -1 3 221.260 0.891 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000820523652 587052527 /nfs/dbraw/zinc/05/25/27/587052527.db2.gz PJTDTHFHXWIBGF-IVZWLZJFSA-N -1 3 240.303 0.749 20 0 BCADHM CN1CCC[C@@H](N2CCC(C(=O)[O-])CC2)C1=O ZINC000820620136 587059505 /nfs/dbraw/zinc/05/95/05/587059505.db2.gz GSHXUXVCSRZHNE-SNVBAGLBSA-N -1 3 240.303 0.404 20 0 BCADHM C[C@@H]1C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820668095 587064934 /nfs/dbraw/zinc/06/49/34/587064934.db2.gz PHVGYYRJTUKXMQ-RQJHMYQMSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@@H]1C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820668095 587064935 /nfs/dbraw/zinc/06/49/35/587064935.db2.gz PHVGYYRJTUKXMQ-RQJHMYQMSA-N -1 3 246.274 0.581 20 0 BCADHM COC(=O)c1cc(CN(C)[C@@H](C)C(=O)[O-])c[nH]1 ZINC000820677912 587065888 /nfs/dbraw/zinc/06/58/88/587065888.db2.gz XRDORDJXGOHGLL-ZETCQYMHSA-N -1 3 240.259 0.706 20 0 BCADHM C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820709151 587067525 /nfs/dbraw/zinc/06/75/25/587067525.db2.gz DVXJMLKSTZOPTB-SSDOTTSWSA-N -1 3 246.274 0.819 20 0 BCADHM C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820709151 587067526 /nfs/dbraw/zinc/06/75/26/587067526.db2.gz DVXJMLKSTZOPTB-SSDOTTSWSA-N -1 3 246.274 0.819 20 0 BCADHM CC(=O)[N-]O[C@H](C(=O)N(C)C)C(C)C ZINC000820705394 587067676 /nfs/dbraw/zinc/06/76/76/587067676.db2.gz BXKRENWCJZALQY-QMMMGPOBSA-N -1 3 202.254 0.167 20 0 BCADHM CC1(C)C[C@@](C)([N-]S(=O)(=O)C2CC2)C(=O)O1 ZINC000820734848 587067942 /nfs/dbraw/zinc/06/79/42/587067942.db2.gz LBYZEUKGPPKEEV-SNVBAGLBSA-N -1 3 247.316 0.552 20 0 BCADHM CC1(C)C[C@](C)([N-]S(=O)(=O)C2CC2)C(=O)O1 ZINC000820734847 587068103 /nfs/dbraw/zinc/06/81/03/587068103.db2.gz LBYZEUKGPPKEEV-JTQLQIEISA-N -1 3 247.316 0.552 20 0 BCADHM C[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820813232 587074136 /nfs/dbraw/zinc/07/41/36/587074136.db2.gz BMQVOVBOBQEFAH-QMMMGPOBSA-N -1 3 246.274 0.487 20 0 BCADHM C[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820813232 587074137 /nfs/dbraw/zinc/07/41/37/587074137.db2.gz BMQVOVBOBQEFAH-QMMMGPOBSA-N -1 3 246.274 0.487 20 0 BCADHM C/C=C\COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820833054 587075141 /nfs/dbraw/zinc/07/51/41/587075141.db2.gz RJKKGNRLLIBNRF-IHWYPQMZSA-N -1 3 233.231 0.928 20 0 BCADHM C/C=C\COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820833054 587075142 /nfs/dbraw/zinc/07/51/42/587075142.db2.gz RJKKGNRLLIBNRF-IHWYPQMZSA-N -1 3 233.231 0.928 20 0 BCADHM COc1ccc(CN2CC[C@@H](C(=O)[O-])C2)nc1 ZINC000820832682 587075616 /nfs/dbraw/zinc/07/56/16/587075616.db2.gz YDQIEYVBHKEUHZ-SECBINFHSA-N -1 3 236.271 0.997 20 0 BCADHM CO[N-]C(=O)CCc1cc(OC)no1 ZINC000820844480 587076438 /nfs/dbraw/zinc/07/64/38/587076438.db2.gz HMVFOWXEDPLHRB-UHFFFAOYSA-N -1 3 200.194 0.293 20 0 BCADHM CC[C@@H](O)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC000820931382 587082755 /nfs/dbraw/zinc/08/27/55/587082755.db2.gz FTVSNWANBYSKNP-SECBINFHSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@H](O)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC000820931382 587082757 /nfs/dbraw/zinc/08/27/57/587082757.db2.gz FTVSNWANBYSKNP-SECBINFHSA-N -1 3 248.290 0.835 20 0 BCADHM CC(C)C1(C(=O)[N-]OCCN(C)C)COC1 ZINC000820997820 587087046 /nfs/dbraw/zinc/08/70/46/587087046.db2.gz YTAHIOABTYTIIP-UHFFFAOYSA-N -1 3 230.308 0.268 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@H]1CCc2cccnc21 ZINC000821006649 587088102 /nfs/dbraw/zinc/08/81/02/587088102.db2.gz UMMYTVHQBOGCFQ-NSHDSACASA-N -1 3 249.314 0.721 20 0 BCADHM C[C@H](C(=O)[N-]OCC(F)(F)F)N(C)C ZINC000821031478 587089741 /nfs/dbraw/zinc/08/97/41/587089741.db2.gz LQNTXGRSJKSBST-RXMQYKEDSA-N -1 3 214.187 0.547 20 0 BCADHM CCONC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821388909 587115116 /nfs/dbraw/zinc/11/51/16/587115116.db2.gz AJXCTRHUZXTVID-UHFFFAOYSA-N -1 3 239.260 0.610 20 0 BCADHM CCONC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821388909 587115118 /nfs/dbraw/zinc/11/51/18/587115118.db2.gz AJXCTRHUZXTVID-UHFFFAOYSA-N -1 3 239.260 0.610 20 0 BCADHM O=C([O-])CN[C@H](CO)c1cccc(F)c1 ZINC000821533542 587126795 /nfs/dbraw/zinc/12/67/95/587126795.db2.gz RSFTYYZVBNZPGM-SECBINFHSA-N -1 3 213.208 0.533 20 0 BCADHM CNC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821634264 587133684 /nfs/dbraw/zinc/13/36/84/587133684.db2.gz ZRXYHJOYROEWPZ-UHFFFAOYSA-N -1 3 249.299 0.705 20 0 BCADHM CNC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821634264 587133685 /nfs/dbraw/zinc/13/36/85/587133685.db2.gz ZRXYHJOYROEWPZ-UHFFFAOYSA-N -1 3 249.299 0.705 20 0 BCADHM O=C(COCC1CC1)[N-]c1nnnn1C1CC1 ZINC000821667594 587133969 /nfs/dbraw/zinc/13/39/69/587133969.db2.gz RPBIBIDFUDZKKE-UHFFFAOYSA-N -1 3 237.263 0.373 20 0 BCADHM CC[C@@H](OC)C(=O)[N-]c1nnnn1C1CC1 ZINC000821666482 587134048 /nfs/dbraw/zinc/13/40/48/587134048.db2.gz RDMGOLZBJQVNGF-SSDOTTSWSA-N -1 3 225.252 0.372 20 0 BCADHM COCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000821691395 587134487 /nfs/dbraw/zinc/13/44/87/587134487.db2.gz SODBUPIUWDAQEW-UHFFFAOYSA-N -1 3 220.236 0.320 20 0 BCADHM COCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000821691395 587134488 /nfs/dbraw/zinc/13/44/88/587134488.db2.gz SODBUPIUWDAQEW-UHFFFAOYSA-N -1 3 220.236 0.320 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H]1CCCCNC1=O ZINC000821772307 587137434 /nfs/dbraw/zinc/13/74/34/587137434.db2.gz XESCCLYWCWUROB-SSDOTTSWSA-N -1 3 234.246 0.817 20 0 BCADHM O=C([N-]OCCO)[C@@H]1CCN1C1CCCC1 ZINC000822061924 587151054 /nfs/dbraw/zinc/15/10/54/587151054.db2.gz BVHXEAMDSKJIGG-JTQLQIEISA-N -1 3 228.292 0.043 20 0 BCADHM C[C@H](C(=O)[N-]OCCC(F)(F)F)N(C)C ZINC000822161378 587157392 /nfs/dbraw/zinc/15/73/92/587157392.db2.gz BGGPNBHGVMRKLP-ZCFIWIBFSA-N -1 3 228.214 0.937 20 0 BCADHM Cc1cn(CC(=O)NC2CC2)cc1-c1nnn[n-]1 ZINC000822384952 587165360 /nfs/dbraw/zinc/16/53/60/587165360.db2.gz WCNHVLSKYSEXAL-UHFFFAOYSA-N -1 3 246.274 0.255 20 0 BCADHM Cc1cn(CC(=O)NC2CC2)cc1-c1nn[n-]n1 ZINC000822384952 587165361 /nfs/dbraw/zinc/16/53/61/587165361.db2.gz WCNHVLSKYSEXAL-UHFFFAOYSA-N -1 3 246.274 0.255 20 0 BCADHM Cc1cnn(CCn2cc(-c3nnn[n-]3)cn2)c1 ZINC000822403889 587166136 /nfs/dbraw/zinc/16/61/36/587166136.db2.gz YZGRDFOHMFQZTM-UHFFFAOYSA-N -1 3 244.262 0.268 20 0 BCADHM Cc1cnn(CCn2cc(-c3nn[n-]n3)cn2)c1 ZINC000822403889 587166137 /nfs/dbraw/zinc/16/61/37/587166137.db2.gz YZGRDFOHMFQZTM-UHFFFAOYSA-N -1 3 244.262 0.268 20 0 BCADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCC1CC1 ZINC000823146319 587205089 /nfs/dbraw/zinc/20/50/89/587205089.db2.gz WKKOPLZUWHKVNE-DTWKUNHWSA-N -1 3 227.260 0.643 20 0 BCADHM CCc1n[n-]c(Cl)c1C(=O)O[C@@H](C)C(N)=O ZINC000860223570 589090120 /nfs/dbraw/zinc/09/01/20/589090120.db2.gz BKJJDOBPOBMUMB-BYPYZUCNSA-N -1 3 245.666 0.656 20 0 BCADHM CCc1[n-]nc(Cl)c1C(=O)O[C@@H](C)C(N)=O ZINC000860223570 589090122 /nfs/dbraw/zinc/09/01/22/589090122.db2.gz BKJJDOBPOBMUMB-BYPYZUCNSA-N -1 3 245.666 0.656 20 0 BCADHM O=C(NCCCF)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823188257 587207660 /nfs/dbraw/zinc/20/76/60/587207660.db2.gz WLJXRIAUQQLFIT-UHFFFAOYSA-N -1 3 238.226 0.284 20 0 BCADHM O=C(NCCCF)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823188257 587207662 /nfs/dbraw/zinc/20/76/62/587207662.db2.gz WLJXRIAUQQLFIT-UHFFFAOYSA-N -1 3 238.226 0.284 20 0 BCADHM CCc1n[n-]c(Cl)c1C(=O)OCC(=O)OC ZINC000860222405 589090315 /nfs/dbraw/zinc/09/03/15/589090315.db2.gz VNIGXPGURSXHOO-UHFFFAOYSA-N -1 3 246.650 0.955 20 0 BCADHM CCc1[n-]nc(Cl)c1C(=O)OCC(=O)OC ZINC000860222405 589090316 /nfs/dbraw/zinc/09/03/16/589090316.db2.gz VNIGXPGURSXHOO-UHFFFAOYSA-N -1 3 246.650 0.955 20 0 BCADHM CCC(C)(C)[C@H](O)C(=O)[N-]OCCN(C)C ZINC000823255367 587211862 /nfs/dbraw/zinc/21/18/62/587211862.db2.gz VIPFVOSAHJHAFQ-SECBINFHSA-N -1 3 232.324 0.393 20 0 BCADHM O=C1NCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823548536 587230548 /nfs/dbraw/zinc/23/05/48/587230548.db2.gz YMXUJOKQUNVGTM-SECBINFHSA-N -1 3 244.258 0.167 20 0 BCADHM O=C1NCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823548536 587230549 /nfs/dbraw/zinc/23/05/49/587230549.db2.gz YMXUJOKQUNVGTM-SECBINFHSA-N -1 3 244.258 0.167 20 0 BCADHM O[C@H](CN1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681282 587236074 /nfs/dbraw/zinc/23/60/74/587236074.db2.gz CZFMDBAPPRRQDY-LLVKDONJSA-N -1 3 245.286 0.606 20 0 BCADHM CC(C)(C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824093363 587254951 /nfs/dbraw/zinc/25/49/51/587254951.db2.gz GCYISDWXYPCYNH-UHFFFAOYSA-N -1 3 248.290 0.971 20 0 BCADHM CC(C)(C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824093363 587254952 /nfs/dbraw/zinc/25/49/52/587254952.db2.gz GCYISDWXYPCYNH-UHFFFAOYSA-N -1 3 248.290 0.971 20 0 BCADHM COc1cccc(NC([O-])=NOCCO)n1 ZINC000824159555 587258764 /nfs/dbraw/zinc/25/87/64/587258764.db2.gz CFOTWUICEZNEGQ-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM COc1cccc(NC(=O)[N-]OCCO)n1 ZINC000824159555 587258765 /nfs/dbraw/zinc/25/87/65/587258765.db2.gz CFOTWUICEZNEGQ-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM Cc1cnn(C)c1NC([O-])=NOCC(C)(C)O ZINC000824409698 587269785 /nfs/dbraw/zinc/26/97/85/587269785.db2.gz IRLHIPNMIBROEP-UHFFFAOYSA-N -1 3 242.279 0.553 20 0 BCADHM Cc1cnn(C)c1NC(=O)[N-]OCC(C)(C)O ZINC000824409698 587269787 /nfs/dbraw/zinc/26/97/87/587269787.db2.gz IRLHIPNMIBROEP-UHFFFAOYSA-N -1 3 242.279 0.553 20 0 BCADHM C[C@@H](Nc1cnccc1-c1nnn[n-]1)[C@H](C)CO ZINC000824434478 587270384 /nfs/dbraw/zinc/27/03/84/587270384.db2.gz KQMLRLLWDZZNGC-HTQZYQBOSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](Nc1cnccc1-c1nn[n-]n1)[C@H](C)CO ZINC000824434478 587270385 /nfs/dbraw/zinc/27/03/85/587270385.db2.gz KQMLRLLWDZZNGC-HTQZYQBOSA-N -1 3 248.290 0.691 20 0 BCADHM CON(C)CCCNC(=O)c1csc(=O)[n-]1 ZINC000824561360 587276080 /nfs/dbraw/zinc/27/60/80/587276080.db2.gz UUJSROWBFBPMAM-UHFFFAOYSA-N -1 3 245.304 0.462 20 0 BCADHM C[C@H](CC(=O)NCCN(C)C1CC1)NC(=O)[O-] ZINC000824645697 587280719 /nfs/dbraw/zinc/28/07/19/587280719.db2.gz ASETXPSXPZVKPX-MRVPVSSYSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@H](C[C@H](C)O)Nc1cnccc1-c1nnn[n-]1 ZINC000824697304 587283340 /nfs/dbraw/zinc/28/33/40/587283340.db2.gz BNEQMIWVHBJGQH-SFYZADRCSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](C[C@H](C)O)Nc1cnccc1-c1nn[n-]n1 ZINC000824697304 587283341 /nfs/dbraw/zinc/28/33/41/587283341.db2.gz BNEQMIWVHBJGQH-SFYZADRCSA-N -1 3 248.290 0.833 20 0 BCADHM CC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC000824830766 587289115 /nfs/dbraw/zinc/28/91/15/587289115.db2.gz KSSWFOCUIDTYCK-UHFFFAOYSA-N -1 3 246.274 0.867 20 0 BCADHM CC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC000824830766 587289116 /nfs/dbraw/zinc/28/91/16/587289116.db2.gz KSSWFOCUIDTYCK-UHFFFAOYSA-N -1 3 246.274 0.867 20 0 BCADHM C[C@@H](CNC(=O)CC1CN(C(=O)[O-])C1)N(C)C ZINC000824923051 587293564 /nfs/dbraw/zinc/29/35/64/587293564.db2.gz WBTHVNULAYEXEA-QMMMGPOBSA-N -1 3 243.307 0.053 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC000824992267 587297536 /nfs/dbraw/zinc/29/75/36/587297536.db2.gz LGXDXYPWCUKLAW-CBAPKCEASA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC000824992267 587297537 /nfs/dbraw/zinc/29/75/37/587297537.db2.gz LGXDXYPWCUKLAW-CBAPKCEASA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC000824991578 587297696 /nfs/dbraw/zinc/29/76/96/587297696.db2.gz CJTCMCISOHNFQP-GMSGAONNSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC000824991578 587297697 /nfs/dbraw/zinc/29/76/97/587297697.db2.gz CJTCMCISOHNFQP-GMSGAONNSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1OCC[C@H]1NCc1ccc(-c2nnn[n-]2)o1 ZINC000825021880 587299018 /nfs/dbraw/zinc/29/90/18/587299018.db2.gz VADUKUWRQVWHPG-VXNVDRBHSA-N -1 3 249.274 0.727 20 0 BCADHM C[C@H]1OCC[C@H]1NCc1ccc(-c2nn[n-]n2)o1 ZINC000825021880 587299020 /nfs/dbraw/zinc/29/90/20/587299020.db2.gz VADUKUWRQVWHPG-VXNVDRBHSA-N -1 3 249.274 0.727 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1(F)CC1)C2 ZINC000825041343 587299970 /nfs/dbraw/zinc/29/99/70/587299970.db2.gz YRKZBTZLHSJTEJ-UHFFFAOYSA-N -1 3 237.234 0.835 20 0 BCADHM C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H]1CN(C)C ZINC000825178968 587308407 /nfs/dbraw/zinc/30/84/07/587308407.db2.gz WDLZIRCTEXSCLF-RKDXNWHRSA-N -1 3 243.307 0.195 20 0 BCADHM C[C@@]1(C(=O)NCCCc2c[n-][nH]c2=O)C=CCC1 ZINC000825278124 587312853 /nfs/dbraw/zinc/31/28/53/587312853.db2.gz YIRXZCDHJTUHJP-GXFFZTMASA-N -1 3 249.314 0.971 20 0 BCADHM CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825390710 587318049 /nfs/dbraw/zinc/31/80/49/587318049.db2.gz LCKCIIUEMJPGPT-UHFFFAOYSA-N -1 3 220.236 0.287 20 0 BCADHM CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825390710 587318050 /nfs/dbraw/zinc/31/80/50/587318050.db2.gz LCKCIIUEMJPGPT-UHFFFAOYSA-N -1 3 220.236 0.287 20 0 BCADHM CCN(CC)C(=O)Cn1ccc(-c2nnn[n-]2)c1 ZINC000825406589 587318647 /nfs/dbraw/zinc/31/86/47/587318647.db2.gz PRMOSFBZHWQIAQ-UHFFFAOYSA-N -1 3 248.290 0.537 20 0 BCADHM CCN(CC)C(=O)Cn1ccc(-c2nn[n-]n2)c1 ZINC000825406589 587318648 /nfs/dbraw/zinc/31/86/48/587318648.db2.gz PRMOSFBZHWQIAQ-UHFFFAOYSA-N -1 3 248.290 0.537 20 0 BCADHM CCN(CCO)c1nccc(C)c1-c1nnn[n-]1 ZINC000825425054 587318713 /nfs/dbraw/zinc/31/87/13/587318713.db2.gz ZBAJWHZNNYQUIZ-UHFFFAOYSA-N -1 3 248.290 0.389 20 0 BCADHM CCN(CCO)c1nccc(C)c1-c1nn[n-]n1 ZINC000825425054 587318715 /nfs/dbraw/zinc/31/87/15/587318715.db2.gz ZBAJWHZNNYQUIZ-UHFFFAOYSA-N -1 3 248.290 0.389 20 0 BCADHM C/C(=C\CN(CC(N)=O)C(C)(C)C)C(=O)[O-] ZINC000825730017 587334411 /nfs/dbraw/zinc/33/44/11/587334411.db2.gz PXFKTLRYMIYVHT-VMPITWQZSA-N -1 3 228.292 0.603 20 0 BCADHM C/C(=C/CN1CCO[C@H](CN(C)C)C1)C(=O)[O-] ZINC000825747790 587336541 /nfs/dbraw/zinc/33/65/41/587336541.db2.gz YTWZLXQGIGMWLR-NEOSZVFXSA-N -1 3 242.319 0.280 20 0 BCADHM CN(C)c1noc(-c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC000825888859 587344150 /nfs/dbraw/zinc/34/41/50/587344150.db2.gz XCJHNVLIWZRMKD-UHFFFAOYSA-N -1 3 246.234 0.311 20 0 BCADHM CN(C)c1noc(-c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC000825888859 587344152 /nfs/dbraw/zinc/34/41/52/587344152.db2.gz XCJHNVLIWZRMKD-UHFFFAOYSA-N -1 3 246.234 0.311 20 0 BCADHM C[C@@H](NC(=O)[O-])C(=O)NCCN1CC[C@@H](C)C1 ZINC000825951207 587346918 /nfs/dbraw/zinc/34/69/18/587346918.db2.gz TYIUBSYNWSWMNO-RKDXNWHRSA-N -1 3 243.307 0.101 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1C2CCC1CC2 ZINC000825999665 587348065 /nfs/dbraw/zinc/34/80/65/587348065.db2.gz GTKFUJNBEUVZEA-AFPNSQJFSA-N -1 3 226.276 0.203 20 0 BCADHM C[C@@H]1CN(CC2(O)CCC2)CCN1C(=O)[O-] ZINC000826050463 587349983 /nfs/dbraw/zinc/34/99/83/587349983.db2.gz XLBGASKEASNJGR-SECBINFHSA-N -1 3 228.292 0.586 20 0 BCADHM C[C@@H]1CN2CCCC[C@H]2CN1CCNC(=O)[O-] ZINC000826088510 587350684 /nfs/dbraw/zinc/35/06/84/587350684.db2.gz YINBFGAZDQBFSX-MNOVXSKESA-N -1 3 241.335 0.813 20 0 BCADHM CO[C@@H]1CCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000826166630 587351105 /nfs/dbraw/zinc/35/11/05/587351105.db2.gz UFNUMWLLCATVPR-MRVPVSSYSA-N -1 3 246.274 0.487 20 0 BCADHM CO[C@@H]1CCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000826166630 587351106 /nfs/dbraw/zinc/35/11/06/587351106.db2.gz UFNUMWLLCATVPR-MRVPVSSYSA-N -1 3 246.274 0.487 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCOC2)n1 ZINC000826275516 587351503 /nfs/dbraw/zinc/35/15/03/587351503.db2.gz BQKFPZUWZRCQJO-MRVPVSSYSA-N -1 3 246.274 0.771 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCOC2)n1 ZINC000826275516 587351504 /nfs/dbraw/zinc/35/15/04/587351504.db2.gz BQKFPZUWZRCQJO-MRVPVSSYSA-N -1 3 246.274 0.771 20 0 BCADHM COc1ccc(COC(C)=O)cc1-c1nnn[n-]1 ZINC000826206982 587351890 /nfs/dbraw/zinc/35/18/90/587351890.db2.gz UWERZXJLCCWFIA-UHFFFAOYSA-N -1 3 248.242 0.938 20 0 BCADHM COc1ccc(COC(C)=O)cc1-c1nn[n-]n1 ZINC000826206982 587351891 /nfs/dbraw/zinc/35/18/91/587351891.db2.gz UWERZXJLCCWFIA-UHFFFAOYSA-N -1 3 248.242 0.938 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)nc1NC[C@@H](C)O ZINC000826280986 587352377 /nfs/dbraw/zinc/35/23/77/587352377.db2.gz YZGLBEHEKJBXPH-SSDOTTSWSA-N -1 3 234.263 0.363 20 0 BCADHM Cc1ccnc(N[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826312673 587352462 /nfs/dbraw/zinc/35/24/62/587352462.db2.gz LGYHOKFGAVRNKU-QMMMGPOBSA-N -1 3 246.274 0.771 20 0 BCADHM Cc1ccnc(N[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826312673 587352463 /nfs/dbraw/zinc/35/24/63/587352463.db2.gz LGYHOKFGAVRNKU-QMMMGPOBSA-N -1 3 246.274 0.771 20 0 BCADHM Cc1nn(CC2CCC2)c(N)c1-c1nnn[n-]1 ZINC000826333998 587352517 /nfs/dbraw/zinc/35/25/17/587352517.db2.gz CMIOYXMDZWHHJF-UHFFFAOYSA-N -1 3 233.279 0.754 20 0 BCADHM Cc1nn(CC2CCC2)c(N)c1-c1nn[n-]n1 ZINC000826333998 587352518 /nfs/dbraw/zinc/35/25/18/587352518.db2.gz CMIOYXMDZWHHJF-UHFFFAOYSA-N -1 3 233.279 0.754 20 0 BCADHM Cn1ccc(Cn2ccc(-c3nnn[n-]3)c2)n1 ZINC000826363347 587352621 /nfs/dbraw/zinc/35/26/21/587352621.db2.gz IOEDTBHGYJFLGT-UHFFFAOYSA-N -1 3 229.247 0.450 20 0 BCADHM Cn1ccc(Cn2ccc(-c3nn[n-]n3)c2)n1 ZINC000826363347 587352622 /nfs/dbraw/zinc/35/26/22/587352622.db2.gz IOEDTBHGYJFLGT-UHFFFAOYSA-N -1 3 229.247 0.450 20 0 BCADHM Cn1cncc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826365160 587352681 /nfs/dbraw/zinc/35/26/81/587352681.db2.gz DEZWFMYMFOPFKU-UHFFFAOYSA-N -1 3 229.247 0.450 20 0 BCADHM Cn1cncc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826365160 587352682 /nfs/dbraw/zinc/35/26/82/587352682.db2.gz DEZWFMYMFOPFKU-UHFFFAOYSA-N -1 3 229.247 0.450 20 0 BCADHM c1cc(N[C@@H]2CCOC2)ncc1-c1nnn[n-]1 ZINC000826517128 587353494 /nfs/dbraw/zinc/35/34/94/587353494.db2.gz RRODAMPFJXIYSV-MRVPVSSYSA-N -1 3 232.247 0.463 20 0 BCADHM c1cc(N[C@@H]2CCOC2)ncc1-c1nn[n-]n1 ZINC000826517128 587353495 /nfs/dbraw/zinc/35/34/95/587353495.db2.gz RRODAMPFJXIYSV-MRVPVSSYSA-N -1 3 232.247 0.463 20 0 BCADHM c1cc(-c2nnn[n-]2)c(NC[C@H]2CCCO2)cn1 ZINC000826512943 587353953 /nfs/dbraw/zinc/35/39/53/587353953.db2.gz UWWQQIIMXYBWCL-MRVPVSSYSA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(-c2nn[n-]n2)c(NC[C@H]2CCCO2)cn1 ZINC000826512943 587353954 /nfs/dbraw/zinc/35/39/54/587353954.db2.gz UWWQQIIMXYBWCL-MRVPVSSYSA-N -1 3 246.274 0.853 20 0 BCADHM c1cnc(NCCN2CCC2)c(-c2nnn[n-]2)c1 ZINC000826525707 587354060 /nfs/dbraw/zinc/35/40/60/587354060.db2.gz WHTGZGABHMNRKU-UHFFFAOYSA-N -1 3 245.290 0.379 20 0 BCADHM c1cnc(NCCN2CCC2)c(-c2nn[n-]n2)c1 ZINC000826525707 587354061 /nfs/dbraw/zinc/35/40/61/587354061.db2.gz WHTGZGABHMNRKU-UHFFFAOYSA-N -1 3 245.290 0.379 20 0 BCADHM CC[C@@H](O)CN1CCC(NC(=O)[O-])CC1 ZINC000826626242 587357063 /nfs/dbraw/zinc/35/70/63/587357063.db2.gz TTYNQBLCKNQBDP-SECBINFHSA-N -1 3 216.281 0.489 20 0 BCADHM O=C(Nc1ccncc1[O-])C1CSC1 ZINC000867042880 587361575 /nfs/dbraw/zinc/36/15/75/587361575.db2.gz RNHXLOBJQCMSHI-UHFFFAOYSA-N -1 3 210.258 0.511 20 0 BCADHM CC(C)N(C)CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826930178 587365523 /nfs/dbraw/zinc/36/55/23/587365523.db2.gz GVGVEVWXSRQZNI-GFCCVEGCSA-N -1 3 242.319 0.650 20 0 BCADHM CC(C)N(C)CC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000826930484 587365827 /nfs/dbraw/zinc/36/58/27/587365827.db2.gz RFZMGZYCSOWWHN-JTQLQIEISA-N -1 3 242.319 0.792 20 0 BCADHM CCCn1cc(CNCCNC(=O)[O-])cn1 ZINC000826959748 587366572 /nfs/dbraw/zinc/36/65/72/587366572.db2.gz VNNMEKCXFKRSKS-UHFFFAOYSA-N -1 3 226.280 0.650 20 0 BCADHM CCN(CC(=O)N(C)CCN(C)C)C(=O)[O-] ZINC000826996731 587367507 /nfs/dbraw/zinc/36/75/07/587367507.db2.gz ISXASYDPLIJFHC-UHFFFAOYSA-N -1 3 231.296 0.006 20 0 BCADHM Cc1oc(C=O)cc1C(=O)[N-]N1CCOC1=O ZINC000827122699 587370404 /nfs/dbraw/zinc/37/04/04/587370404.db2.gz MWZZXADQDONLMB-UHFFFAOYSA-N -1 3 238.199 0.498 20 0 BCADHM CCN1C[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[O-])C1 ZINC000827201708 587372622 /nfs/dbraw/zinc/37/26/22/587372622.db2.gz YFAFOKRQGASSNX-XHNCKOQMSA-N -1 3 243.307 0.099 20 0 BCADHM CCN1C[C@H](C)[C@H](NC(=O)CN(C)C(=O)[O-])C1 ZINC000827198320 587372638 /nfs/dbraw/zinc/37/26/38/587372638.db2.gz HGDQJLXCGCLHBR-DTWKUNHWSA-N -1 3 243.307 0.053 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H](N(C)C)C1 ZINC000827255860 587374061 /nfs/dbraw/zinc/37/40/61/587374061.db2.gz HDZFNSOCENHEPZ-ZJUUUORDSA-N -1 3 242.319 0.650 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)NC[C@H]1CCCN1C ZINC000827291155 587375389 /nfs/dbraw/zinc/37/53/89/587375389.db2.gz IQDUZEGDVKNTCZ-DTWKUNHWSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)NCCN1CCCC1 ZINC000827291170 587375434 /nfs/dbraw/zinc/37/54/34/587375434.db2.gz IXKAILVAUAQPJD-SECBINFHSA-N -1 3 228.292 0.309 20 0 BCADHM CCOC(=O)CCN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827307200 587376232 /nfs/dbraw/zinc/37/62/32/587376232.db2.gz ZXRHRAWOZXKYHO-SECBINFHSA-N -1 3 244.291 0.624 20 0 BCADHM CCO[C@@H]1CCCN(CCNC(=O)[O-])C1 ZINC000827387825 587379372 /nfs/dbraw/zinc/37/93/72/587379372.db2.gz JCFUOLDHZNUYRK-SECBINFHSA-N -1 3 216.281 0.755 20 0 BCADHM CCO[C@H]1CCCN(CCNC(=O)[O-])C1 ZINC000827387826 587379553 /nfs/dbraw/zinc/37/95/53/587379553.db2.gz JCFUOLDHZNUYRK-VIFPVBQESA-N -1 3 216.281 0.755 20 0 BCADHM CC(C)N(C)C(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000827442256 587381685 /nfs/dbraw/zinc/38/16/85/587381685.db2.gz HJWSQTQLTPWUBS-UWVGGRQHSA-N -1 3 244.335 0.894 20 0 BCADHM CC(C)N(C)C(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000827442255 587381747 /nfs/dbraw/zinc/38/17/47/587381747.db2.gz HJWSQTQLTPWUBS-NXEZZACHSA-N -1 3 244.335 0.894 20 0 BCADHM CC[S@@](=O)CCN[C@@H]1CCN(C(=O)[O-])C1 ZINC000827486930 587382590 /nfs/dbraw/zinc/38/25/90/587382590.db2.gz AKNKWZSOQJYKPY-ANRSDYALSA-N -1 3 234.321 0.097 20 0 BCADHM CC[S@@](=O)CCN[C@H]1CCN(C(=O)[O-])C1 ZINC000827486933 587382913 /nfs/dbraw/zinc/38/29/13/587382913.db2.gz AKNKWZSOQJYKPY-VXJOIVPMSA-N -1 3 234.321 0.097 20 0 BCADHM CN(C(=O)[O-])[C@@H]1CCCN(CC2(O)CCC2)C1 ZINC000827821905 587403915 /nfs/dbraw/zinc/40/39/15/587403915.db2.gz FEYAANSPVPMUFA-SNVBAGLBSA-N -1 3 242.319 0.976 20 0 BCADHM CN(C)C(=O)CCN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827953393 587412909 /nfs/dbraw/zinc/41/29/09/587412909.db2.gz IEYCNKZFKXUMTL-SECBINFHSA-N -1 3 243.307 0.149 20 0 BCADHM CN(C)C(=O)C1CCN(CCNC(=O)[O-])CC1 ZINC000827954759 587412980 /nfs/dbraw/zinc/41/29/80/587412980.db2.gz ZHTHQFTYBLGETE-UHFFFAOYSA-N -1 3 243.307 0.054 20 0 BCADHM CN(C)CCN(C)C(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000828031746 587417035 /nfs/dbraw/zinc/41/70/35/587417035.db2.gz SUTQYZOHOKLBJR-VIFPVBQESA-N -1 3 243.307 0.149 20 0 BCADHM CN(C)CCN(C)C(=O)CCCN(C)C(=O)[O-] ZINC000828029772 587417237 /nfs/dbraw/zinc/41/72/37/587417237.db2.gz AHAVZGPHFJGIRF-UHFFFAOYSA-N -1 3 245.323 0.396 20 0 BCADHM C[C@@H]1CC(=O)N(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000828149903 587422036 /nfs/dbraw/zinc/42/20/36/587422036.db2.gz NWIAFXHOPOOVPS-OPRDCNLKSA-N -1 3 240.303 0.465 20 0 BCADHM CN(C[C@H]1CCCN1CCO)C(=O)[O-] ZINC000828223287 587425276 /nfs/dbraw/zinc/42/52/76/587425276.db2.gz KRELAHIECRSQIA-MRVPVSSYSA-N -1 3 202.254 0.053 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1CC[C@@H](C)[C@@H]1C ZINC000828284752 587431269 /nfs/dbraw/zinc/43/12/69/587431269.db2.gz HXMMYOLDBYLUSI-HRDYMLBCSA-N -1 3 228.292 0.306 20 0 BCADHM CN(CCNC(=O)[O-])CCC(=O)OC(C)(C)C ZINC000828329576 587435377 /nfs/dbraw/zinc/43/53/77/587435377.db2.gz HUMZQFLZTBGICF-UHFFFAOYSA-N -1 3 246.307 0.918 20 0 BCADHM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCC(N)=O ZINC000828414875 587441308 /nfs/dbraw/zinc/44/13/08/587441308.db2.gz AWYCVNKAJBTYOX-GMSGAONNSA-N -1 3 214.265 0.346 20 0 BCADHM CC[C@@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)N(C)C ZINC000828586362 587451797 /nfs/dbraw/zinc/45/17/97/587451797.db2.gz DUGYRLPRQQBMNV-JOYOIKCWSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@H](C(=O)NC[C@@H](C)C(=O)[O-])N(C)C ZINC000828587559 587452157 /nfs/dbraw/zinc/45/21/57/587452157.db2.gz UHKQTWYCECXOSM-HTQZYQBOSA-N -1 3 216.281 0.164 20 0 BCADHM CC[C@H](C(=O)OC)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000828603439 587453091 /nfs/dbraw/zinc/45/30/91/587453091.db2.gz INOOZHMBIWDTFW-XHNCKOQMSA-N -1 3 229.276 0.591 20 0 BCADHM CC[C@@H](C)[C@H](NCC(=O)N(CC)CC)C(=O)[O-] ZINC000828737081 587459289 /nfs/dbraw/zinc/45/92/89/587459289.db2.gz KMLPHBXUGXKHHD-KOLCDFICSA-N -1 3 244.335 0.944 20 0 BCADHM CC[C@H](C)CN(CC)CC(=O)NCCC(=O)[O-] ZINC000828747693 587460130 /nfs/dbraw/zinc/46/01/30/587460130.db2.gz SKZKEVJXZUBMJE-JTQLQIEISA-N -1 3 244.335 0.945 20 0 BCADHM CO[C@@H]1CCCN(CCNC(=O)[O-])C1 ZINC000828881018 587468199 /nfs/dbraw/zinc/46/81/99/587468199.db2.gz RPCIMVHCKDLLTG-MRVPVSSYSA-N -1 3 202.254 0.365 20 0 BCADHM COC[C@@H](C)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000828896558 587469172 /nfs/dbraw/zinc/46/91/72/587469172.db2.gz KLWONBPWDWBYNS-RKDXNWHRSA-N -1 3 216.281 0.753 20 0 BCADHM COC[C@@H](C)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828897183 587469337 /nfs/dbraw/zinc/46/93/37/587469337.db2.gz PVFYMBBOZRJGRO-BDAKNGLRSA-N -1 3 216.281 0.705 20 0 BCADHM COC[C@H](C)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828897225 587469500 /nfs/dbraw/zinc/46/95/00/587469500.db2.gz PVFYMBBOZRJGRO-IUCAKERBSA-N -1 3 216.281 0.705 20 0 BCADHM COC[C@H](C)N1CC[C@H](NC(=O)[O-])C1 ZINC000828896032 587469570 /nfs/dbraw/zinc/46/95/70/587469570.db2.gz FYFSPXAKRWSYAW-YUMQZZPRSA-N -1 3 202.254 0.363 20 0 BCADHM COC[C@@H](CC(C)C)NC1CN(C(=O)[O-])C1 ZINC000828903665 587470278 /nfs/dbraw/zinc/47/02/78/587470278.db2.gz PEGLEMFZOQYIMM-SECBINFHSA-N -1 3 230.308 0.999 20 0 BCADHM CC[C@H](NC(=O)[C@H](CC)N(C)C)C(=O)[O-] ZINC000828914634 587471721 /nfs/dbraw/zinc/47/17/21/587471721.db2.gz JWGGRZFJLGVGIF-YUMQZZPRSA-N -1 3 216.281 0.306 20 0 BCADHM COCC[C@@H](C)NC1CN(C(=O)[O-])C1 ZINC000828934063 587473547 /nfs/dbraw/zinc/47/35/47/587473547.db2.gz KKAMSNFDWWFSBR-SSDOTTSWSA-N -1 3 202.254 0.363 20 0 BCADHM COCCCN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828950556 587475105 /nfs/dbraw/zinc/47/51/05/587475105.db2.gz MBSKVEHIZBQJMJ-VIFPVBQESA-N -1 3 216.281 0.707 20 0 BCADHM COCCN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828984637 587477772 /nfs/dbraw/zinc/47/77/72/587477772.db2.gz HKSXMZFKYGEDSS-MRVPVSSYSA-N -1 3 202.254 0.317 20 0 BCADHM CC[C@]1(C)CCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000829050203 587480564 /nfs/dbraw/zinc/48/05/64/587480564.db2.gz NKXLBAHDOLFXTI-JOYOIKCWSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@@H]1CCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000829125169 587483914 /nfs/dbraw/zinc/48/39/14/587483914.db2.gz GZCOZPUOMUSPFJ-DTWKUNHWSA-N -1 3 228.292 0.308 20 0 BCADHM CC[C@H]1CCN(CC(=O)NCCC(=O)[O-])C1 ZINC000829126135 587483994 /nfs/dbraw/zinc/48/39/94/587483994.db2.gz UZOHRLTZZTVZIH-VIFPVBQESA-N -1 3 228.292 0.309 20 0 BCADHM CCCN(C)CC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000829459194 587498642 /nfs/dbraw/zinc/49/86/42/587498642.db2.gz VBQMCLNEODDRCY-VHSXEESVSA-N -1 3 242.319 0.507 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CC1CCC1 ZINC000829562156 587503219 /nfs/dbraw/zinc/50/32/19/587503219.db2.gz ZEHFUGLTMULFNF-ZETCQYMHSA-N -1 3 232.305 0.194 20 0 BCADHM CCN(CC)CC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000829671678 587508689 /nfs/dbraw/zinc/50/86/89/587508689.db2.gz JKKABQZIYXGSHT-LLVKDONJSA-N -1 3 246.282 0.353 20 0 BCADHM Cc1ccc(F)c(CC(=O)[N-]OCCO)c1 ZINC000829763945 587514744 /nfs/dbraw/zinc/51/47/44/587514744.db2.gz SZFNUBCOGKUPRI-UHFFFAOYSA-N -1 3 227.235 0.717 20 0 BCADHM CCOC(=O)/C=C/CN1CCC[C@@H]1C(=O)[O-] ZINC000829837616 587522140 /nfs/dbraw/zinc/52/21/40/587522140.db2.gz KDDALLRLECNOME-OTQAPUNGSA-N -1 3 227.260 0.655 20 0 BCADHM CCOC(=O)/C=C\CN1CCC[C@@H]1C(=O)[O-] ZINC000829837618 587522160 /nfs/dbraw/zinc/52/21/60/587522160.db2.gz KDDALLRLECNOME-XTULLQBASA-N -1 3 227.260 0.655 20 0 BCADHM COc1cc(C)cc(C(=O)N2CC=C(N)N2)c1[O-] ZINC000829841539 587522396 /nfs/dbraw/zinc/52/23/96/587522396.db2.gz YQZQYDAJRIGEAS-UHFFFAOYSA-N -1 3 249.270 0.470 20 0 BCADHM CC[S@@](C)(=O)=NC(=O)c1cc(=O)cc[n-]1 ZINC000829867256 587525867 /nfs/dbraw/zinc/52/58/67/587525867.db2.gz OIIIRNUHSGTMFT-OAHLLOKOSA-N -1 3 228.273 0.633 20 0 BCADHM CCOc1nc(NC(=O)C(C)(C)COC)n[n-]1 ZINC000830400094 587547873 /nfs/dbraw/zinc/54/78/73/587547873.db2.gz RPYRWXFCCNQUQG-UHFFFAOYSA-N -1 3 242.279 0.815 20 0 BCADHM CCOc1nnc(NC(=O)C(C)(C)COC)[n-]1 ZINC000830400094 587547875 /nfs/dbraw/zinc/54/78/75/587547875.db2.gz RPYRWXFCCNQUQG-UHFFFAOYSA-N -1 3 242.279 0.815 20 0 BCADHM CCOc1n[n-]c(NC(=O)C(C)(C)COC)n1 ZINC000830400094 587547876 /nfs/dbraw/zinc/54/78/76/587547876.db2.gz RPYRWXFCCNQUQG-UHFFFAOYSA-N -1 3 242.279 0.815 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CCCN2C)[n-]1 ZINC000830397330 587549361 /nfs/dbraw/zinc/54/93/61/587549361.db2.gz SELZZZOAMASBEB-ZETCQYMHSA-N -1 3 239.279 0.236 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CCCN2C)n[n-]1 ZINC000830397330 587549362 /nfs/dbraw/zinc/54/93/62/587549362.db2.gz SELZZZOAMASBEB-ZETCQYMHSA-N -1 3 239.279 0.236 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CCCN2C)n1 ZINC000830397330 587549363 /nfs/dbraw/zinc/54/93/63/587549363.db2.gz SELZZZOAMASBEB-ZETCQYMHSA-N -1 3 239.279 0.236 20 0 BCADHM CCOc1nc(NC(=O)[C@H](OC)C(C)C)n[n-]1 ZINC000830399285 587549549 /nfs/dbraw/zinc/54/95/49/587549549.db2.gz FALZALTZCQGHCZ-SSDOTTSWSA-N -1 3 242.279 0.813 20 0 BCADHM CCOc1nnc(NC(=O)[C@H](OC)C(C)C)[n-]1 ZINC000830399285 587549551 /nfs/dbraw/zinc/54/95/51/587549551.db2.gz FALZALTZCQGHCZ-SSDOTTSWSA-N -1 3 242.279 0.813 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H](OC)C(C)C)n1 ZINC000830399285 587549552 /nfs/dbraw/zinc/54/95/52/587549552.db2.gz FALZALTZCQGHCZ-SSDOTTSWSA-N -1 3 242.279 0.813 20 0 BCADHM CCOc1nc(NC(=O)CCCCOC)n[n-]1 ZINC000830397503 587549858 /nfs/dbraw/zinc/54/98/58/587549858.db2.gz ZRORROOHYPNGPO-UHFFFAOYSA-N -1 3 242.279 0.959 20 0 BCADHM CCOc1nnc(NC(=O)CCCCOC)[n-]1 ZINC000830397503 587549860 /nfs/dbraw/zinc/54/98/60/587549860.db2.gz ZRORROOHYPNGPO-UHFFFAOYSA-N -1 3 242.279 0.959 20 0 BCADHM CCOc1n[n-]c(NC(=O)CCCCOC)n1 ZINC000830397503 587549862 /nfs/dbraw/zinc/54/98/62/587549862.db2.gz ZRORROOHYPNGPO-UHFFFAOYSA-N -1 3 242.279 0.959 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CC2(F)F)n[n-]1 ZINC000830403640 587550187 /nfs/dbraw/zinc/55/01/87/587550187.db2.gz JDAHEUNSPRIRDT-BYPYZUCNSA-N -1 3 232.190 0.797 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CC2(F)F)[n-]1 ZINC000830403640 587550189 /nfs/dbraw/zinc/55/01/89/587550189.db2.gz JDAHEUNSPRIRDT-BYPYZUCNSA-N -1 3 232.190 0.797 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CC2(F)F)n1 ZINC000830403640 587550191 /nfs/dbraw/zinc/55/01/91/587550191.db2.gz JDAHEUNSPRIRDT-BYPYZUCNSA-N -1 3 232.190 0.797 20 0 BCADHM CCC[C@H](OC)C(=O)Nc1n[n-]c(OCC)n1 ZINC000830403687 587550364 /nfs/dbraw/zinc/55/03/64/587550364.db2.gz JSDYOFOPZMRXOG-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM CCC[C@H](OC)C(=O)Nc1nnc(OCC)[n-]1 ZINC000830403687 587550365 /nfs/dbraw/zinc/55/03/65/587550365.db2.gz JSDYOFOPZMRXOG-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM CCC[C@H](OC)C(=O)Nc1nc(OCC)n[n-]1 ZINC000830403687 587550366 /nfs/dbraw/zinc/55/03/66/587550366.db2.gz JSDYOFOPZMRXOG-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM CCn1c(C)nnc1CNC(C)(C)CC(=O)[O-] ZINC000830412315 587550392 /nfs/dbraw/zinc/55/03/92/587550392.db2.gz OHEUBNPRYFEZDZ-UHFFFAOYSA-N -1 3 240.307 0.949 20 0 BCADHM Cc1cccc([C@H](O)CNCCNC(=O)[O-])c1 ZINC000830479941 587553746 /nfs/dbraw/zinc/55/37/46/587553746.db2.gz MHPOBBZTGJLTRC-LLVKDONJSA-N -1 3 238.287 0.886 20 0 BCADHM Cc1ccsc1[C@H](CO)NCCNC(=O)[O-] ZINC000830615840 587560624 /nfs/dbraw/zinc/56/06/24/587560624.db2.gz DIPRUOPUMRZPMD-QMMMGPOBSA-N -1 3 244.316 0.947 20 0 BCADHM Cc1n[nH]cc1CNCC(C)(C)NC(=O)[O-] ZINC000830677486 587563909 /nfs/dbraw/zinc/56/39/09/587563909.db2.gz GWYJMZXBLKOGJJ-UHFFFAOYSA-N -1 3 226.280 0.854 20 0 BCADHM Cn1cncc1CNCC(C)(C)NC(=O)[O-] ZINC000831046819 587583883 /nfs/dbraw/zinc/58/38/83/587583883.db2.gz VRSPAHUTLFPTLG-UHFFFAOYSA-N -1 3 226.280 0.556 20 0 BCADHM Cn1nccc1CNCC(C)(C)NC(=O)[O-] ZINC000831059466 587584958 /nfs/dbraw/zinc/58/49/58/587584958.db2.gz USKSTXTUDHQXNX-UHFFFAOYSA-N -1 3 226.280 0.556 20 0 BCADHM C[C@@H](O)CCN(C)C(=O)c1ccc(N)cc1[O-] ZINC000831230594 587593169 /nfs/dbraw/zinc/59/31/69/587593169.db2.gz ZRDZFDFBRAEABF-MRVPVSSYSA-N -1 3 238.287 0.817 20 0 BCADHM C[C@H]1CN(C(=O)c2ccc(N)cc2[O-])CCN1 ZINC000831611294 587623573 /nfs/dbraw/zinc/62/35/73/587623573.db2.gz QQGVJAXOYNUSKW-QMMMGPOBSA-N -1 3 235.287 0.408 20 0 BCADHM CCCON=C([O-])Nc1ccnnc1OC ZINC000831813360 587632983 /nfs/dbraw/zinc/63/29/83/587632983.db2.gz GAOSGFYIEWMOIB-UHFFFAOYSA-N -1 3 226.236 0.948 20 0 BCADHM CCCO[N-]C(=O)Nc1ccnnc1OC ZINC000831813360 587632984 /nfs/dbraw/zinc/63/29/84/587632984.db2.gz GAOSGFYIEWMOIB-UHFFFAOYSA-N -1 3 226.236 0.948 20 0 BCADHM O=C([O-])N1CC(NC2CCOCC2)C1 ZINC000831851904 587634251 /nfs/dbraw/zinc/63/42/51/587634251.db2.gz FKQWXWCROYVLOA-UHFFFAOYSA-N -1 3 200.238 0.117 20 0 BCADHM O=C([O-])N1CC[C@H](NC[C@@H](O)c2ccco2)C1 ZINC000831953386 587638532 /nfs/dbraw/zinc/63/85/32/587638532.db2.gz IUOHHHDBGXFLLD-DTWKUNHWSA-N -1 3 240.259 0.655 20 0 BCADHM O=C([O-])N1CC[C@H](NCc2cncs2)C1 ZINC000831963929 587639899 /nfs/dbraw/zinc/63/98/99/587639899.db2.gz PUFJBKVTYUJUFO-ZETCQYMHSA-N -1 3 227.289 0.985 20 0 BCADHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(CCO)C1 ZINC000832005986 587642169 /nfs/dbraw/zinc/64/21/69/587642169.db2.gz PLUFOYXUQBRMEK-GHMZBOCLSA-N -1 3 242.319 0.833 20 0 BCADHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(CCO)C1 ZINC000832005992 587642275 /nfs/dbraw/zinc/64/22/75/587642275.db2.gz PLUFOYXUQBRMEK-WDEREUQCSA-N -1 3 242.319 0.833 20 0 BCADHM O=C(NCC[C@H]1CNC(=O)C1)c1cccc([O-])c1 ZINC000832005330 587642328 /nfs/dbraw/zinc/64/23/28/587642328.db2.gz BBZFABXIEKVKPX-SECBINFHSA-N -1 3 248.282 0.648 20 0 BCADHM [O-]C(=NOCCO)Nc1cccnc1F ZINC000832063034 587644190 /nfs/dbraw/zinc/64/41/90/587644190.db2.gz FPEWWIOBZYZXNB-UHFFFAOYSA-N -1 3 215.184 0.266 20 0 BCADHM O=C([N-]OCCO)Nc1cccnc1F ZINC000832063034 587644191 /nfs/dbraw/zinc/64/41/91/587644191.db2.gz FPEWWIOBZYZXNB-UHFFFAOYSA-N -1 3 215.184 0.266 20 0 BCADHM COc1cc(CC(=O)[N-]OCC(F)F)ccn1 ZINC000832186097 587649110 /nfs/dbraw/zinc/64/91/10/587649110.db2.gz NAEMHGLISJFEMR-UHFFFAOYSA-N -1 3 246.213 0.946 20 0 BCADHM CC1(O)CC(C(=O)[N-]OC/C=C\Cl)C1 ZINC000832271835 587652880 /nfs/dbraw/zinc/65/28/80/587652880.db2.gz DFTJRSXQMDCMMD-IHWYPQMZSA-N -1 3 219.668 0.948 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CC2(O)CCC2)C1 ZINC000832386847 587657003 /nfs/dbraw/zinc/65/70/03/587657003.db2.gz PAWDFWIVBQWGJI-MRVPVSSYSA-N -1 3 214.265 0.243 20 0 BCADHM O=C([O-])NC[C@@H]1CCCN1CCCCO ZINC000832572368 587667713 /nfs/dbraw/zinc/66/77/13/587667713.db2.gz BPVUZQCQLJBIGE-VIFPVBQESA-N -1 3 216.281 0.491 20 0 BCADHM O=C([O-])NC[C@@H]1CCCN1C[C@@H]1CCCO1 ZINC000832572230 587667842 /nfs/dbraw/zinc/66/78/42/587667842.db2.gz ACGVQLHRFKGWGA-UWVGGRQHSA-N -1 3 228.292 0.897 20 0 BCADHM O=C([O-])NCCCNCc1ccc(CO)o1 ZINC000832621550 587670022 /nfs/dbraw/zinc/67/00/22/587670022.db2.gz PNRJGGOUNLWSEI-UHFFFAOYSA-N -1 3 228.248 0.519 20 0 BCADHM O=C([O-])NCCN1CCC[C@@H]1Cn1cncn1 ZINC000832641968 587672530 /nfs/dbraw/zinc/67/25/30/587672530.db2.gz QDAGBEUJSUOFAL-SECBINFHSA-N -1 3 239.279 0.010 20 0 BCADHM O=C([O-])[C@H](NCCn1cccn1)c1cccnc1 ZINC000833164518 587700677 /nfs/dbraw/zinc/70/06/77/587700677.db2.gz AIYSNNYFTPXGHT-LLVKDONJSA-N -1 3 246.270 0.694 20 0 BCADHM O=C([O-])[C@@H](NCCn1cccn1)c1cccnc1 ZINC000833164519 587700754 /nfs/dbraw/zinc/70/07/54/587700754.db2.gz AIYSNNYFTPXGHT-NSHDSACASA-N -1 3 246.270 0.694 20 0 BCADHM O=C([O-])c1cc(CNC[C@H]2COCCO2)c[nH]1 ZINC000833296442 587705408 /nfs/dbraw/zinc/70/54/08/587705408.db2.gz CZOQIWMEHGDLDG-VIFPVBQESA-N -1 3 240.259 0.218 20 0 BCADHM CC(=O)CCN1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833388563 587711980 /nfs/dbraw/zinc/71/19/80/587711980.db2.gz UBMKURPQQGNRFW-JTQLQIEISA-N -1 3 229.276 0.123 20 0 BCADHM CC(=O)CCN1CCSC[C@H]1CC(=O)[O-] ZINC000833388059 587713159 /nfs/dbraw/zinc/71/31/59/587713159.db2.gz GPOURWLYYORMSB-SECBINFHSA-N -1 3 231.317 0.858 20 0 BCADHM CC(C)CNC(=O)CNC1(CC(=O)[O-])CCC1 ZINC000833488034 587717017 /nfs/dbraw/zinc/71/70/17/587717017.db2.gz MSBMKBHFLCTJLK-UHFFFAOYSA-N -1 3 242.319 0.746 20 0 BCADHM C[C@@H](O)[C@@H]1CCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833530521 587719065 /nfs/dbraw/zinc/71/90/65/587719065.db2.gz VJBAXOIOYSEYON-PSASIEDQSA-N -1 3 238.287 0.916 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN(C)[C@@H](C)CO)O1 ZINC000833577320 587720931 /nfs/dbraw/zinc/72/09/31/587720931.db2.gz OFGATWNCLQGMBP-CBAPKCEASA-N -1 3 229.276 0.447 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN(C)[C@@H](C)CO)O1 ZINC000833577321 587721077 /nfs/dbraw/zinc/72/10/77/587721077.db2.gz OFGATWNCLQGMBP-IONNQARKSA-N -1 3 229.276 0.447 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@@H](CO)C2)O1 ZINC000833581940 587721692 /nfs/dbraw/zinc/72/16/92/587721692.db2.gz AMIDCLGFXJYYSF-NXEZZACHSA-N -1 3 241.287 0.448 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN2CC[C@@](C)(O)C2)O1 ZINC000833583308 587722129 /nfs/dbraw/zinc/72/21/29/587722129.db2.gz JGGNPZPVJSMMFO-JOYOIKCWSA-N -1 3 241.287 0.591 20 0 BCADHM C[C@H]1CN(CC2OCCO2)C[C@H]1C(=O)[O-] ZINC000833625091 587725172 /nfs/dbraw/zinc/72/51/72/587725172.db2.gz WDJNTUROMHFGRZ-JGVFFNPUSA-N -1 3 215.249 0.012 20 0 BCADHM CCC[C@@H](C(=O)NC[C@H](C)C(=O)[O-])N(C)C ZINC000833647772 587726654 /nfs/dbraw/zinc/72/66/54/587726654.db2.gz KICZMPJXUIWSKX-IUCAKERBSA-N -1 3 230.308 0.554 20 0 BCADHM O=C([O-])[C@@H](O)C1CCN(C[C@@H]2CCCO2)CC1 ZINC000833770446 587730235 /nfs/dbraw/zinc/73/02/35/587730235.db2.gz GMLOQNYJIYOKDB-QWRGUYRKSA-N -1 3 243.303 0.323 20 0 BCADHM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(C)C ZINC000833827584 587734409 /nfs/dbraw/zinc/73/44/09/587734409.db2.gz BLQGUPHQZOHGKS-BDAKNGLRSA-N -1 3 243.307 0.053 20 0 BCADHM C[C@H]1C[C@H](CNC(=O)[O-])CN1CCF ZINC000833833846 587735264 /nfs/dbraw/zinc/73/52/64/587735264.db2.gz LAJHANBXGFACFS-JGVFFNPUSA-N -1 3 204.245 0.934 20 0 BCADHM CCCN(C)CC(=O)NC[C@H](C)CNC(=O)[O-] ZINC000833853327 587735781 /nfs/dbraw/zinc/73/57/81/587735781.db2.gz LGRNDEZZKSYDDG-VIFPVBQESA-N -1 3 245.323 0.348 20 0 BCADHM CN(CCNCc1ccn(C)c1)C(=O)[O-] ZINC000833872330 587737296 /nfs/dbraw/zinc/73/72/96/587737296.db2.gz JQOACXKTGKMDLD-UHFFFAOYSA-N -1 3 211.265 0.725 20 0 BCADHM COCC1(N(C)CCNC(=O)[O-])CC1 ZINC000833881421 587737878 /nfs/dbraw/zinc/73/78/78/587737878.db2.gz BUTINYYCDMTTRX-UHFFFAOYSA-N -1 3 202.254 0.365 20 0 BCADHM Cn1ccc(CNCC2CN(C(=O)[O-])C2)n1 ZINC000833952859 587739331 /nfs/dbraw/zinc/73/93/31/587739331.db2.gz OOAORXYRZNKETD-UHFFFAOYSA-N -1 3 224.264 0.120 20 0 BCADHM Cn1nccc1CNC[C@H]1CCN(C(=O)[O-])C1 ZINC000833962884 587740489 /nfs/dbraw/zinc/74/04/89/587740489.db2.gz GKHMSPCJRLVRLU-SECBINFHSA-N -1 3 238.291 0.510 20 0 BCADHM O=C([O-])N1CC(CNCc2ccco2)C1 ZINC000834069027 587743680 /nfs/dbraw/zinc/74/36/80/587743680.db2.gz OBYSKXRTCJSZKX-UHFFFAOYSA-N -1 3 210.233 0.979 20 0 BCADHM O=C([O-])N[C@@H]1CCCN(CCn2ccnc2)C1 ZINC000834180626 587748255 /nfs/dbraw/zinc/74/82/55/587748255.db2.gz FUXYIIQDZUTPKE-SNVBAGLBSA-N -1 3 238.291 0.615 20 0 BCADHM O=C([O-])N[C@H]1CCCN([C@H]2CCOC2)C1 ZINC000834183022 587748276 /nfs/dbraw/zinc/74/82/76/587748276.db2.gz OYPCWYDENZLKBN-IUCAKERBSA-N -1 3 214.265 0.507 20 0 BCADHM O=C([O-])NC[C@@H]1CCN(CCn2ccnc2)C1 ZINC000834226625 587749074 /nfs/dbraw/zinc/74/90/74/587749074.db2.gz ZNMQZJAQKNOWRA-JTQLQIEISA-N -1 3 238.291 0.473 20 0 BCADHM O=C([O-])NCCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000834240179 587749757 /nfs/dbraw/zinc/74/97/57/587749757.db2.gz SJHGRVJAVROKDU-SECBINFHSA-N -1 3 238.291 0.857 20 0 BCADHM O=C([O-])NCCCN1CCC(O)CC1 ZINC000834238028 587749819 /nfs/dbraw/zinc/74/98/19/587749819.db2.gz NOOVNEQRWRNMMH-UHFFFAOYSA-N -1 3 202.254 0.101 20 0 BCADHM CS/C=C/C(=O)[N-]OCC(C)(C)O ZINC000834621979 587761213 /nfs/dbraw/zinc/76/12/13/587761213.db2.gz NSDUZQJHNLXRRO-SNAWJCMRSA-N -1 3 205.279 0.682 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC000834621577 587761430 /nfs/dbraw/zinc/76/14/30/587761430.db2.gz HDSKZTNCBCLISM-KWQFWETISA-N -1 3 229.276 0.232 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCOCC(F)F ZINC000834621939 587761464 /nfs/dbraw/zinc/76/14/64/587761464.db2.gz MLPIWEGZFMEJND-UHFFFAOYSA-N -1 3 241.234 0.477 20 0 BCADHM Cc1ccncc1CC(=O)[N-]OCC(C)(C)O ZINC000834628229 587761974 /nfs/dbraw/zinc/76/19/74/587761974.db2.gz CIZPLXHQNZOBQP-UHFFFAOYSA-N -1 3 238.287 0.751 20 0 BCADHM Cc1n[nH]c(C)c1CC(=O)[N-]OCC(C)(C)O ZINC000834628474 587761976 /nfs/dbraw/zinc/76/19/76/587761976.db2.gz NEDMTDPGFMSXQJ-UHFFFAOYSA-N -1 3 241.291 0.388 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCOCC1CC1 ZINC000836804707 587838035 /nfs/dbraw/zinc/83/80/35/587838035.db2.gz FMACYWQGFGQDLK-UHFFFAOYSA-N -1 3 231.292 0.622 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@@H]1CC1(C)C ZINC000836804843 587838040 /nfs/dbraw/zinc/83/80/40/587838040.db2.gz KGBOEPHYWOLZDA-ZETCQYMHSA-N -1 3 201.266 0.851 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCCC(=O)C1CC1 ZINC000836806874 587838145 /nfs/dbraw/zinc/83/81/45/587838145.db2.gz VXFNZLUHNMGPNY-UHFFFAOYSA-N -1 3 243.303 0.955 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]O[C@H](CO)C(C)C ZINC000836892092 587841617 /nfs/dbraw/zinc/84/16/17/587841617.db2.gz MZACDJQTVKVXTQ-NXEZZACHSA-N -1 3 233.308 0.602 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)Cc1ccoc1 ZINC000836893202 587841693 /nfs/dbraw/zinc/84/16/93/587841693.db2.gz WRCCNISIBPDRFI-JTQLQIEISA-N -1 3 227.260 0.887 20 0 BCADHM CO[C@@H](C)CCC(=O)[N-]O[C@H](CO)C(C)C ZINC000836893365 587841769 /nfs/dbraw/zinc/84/17/69/587841769.db2.gz XTRJGRSOLXPHFF-VHSXEESVSA-N -1 3 233.308 0.866 20 0 BCADHM CCOC1CC(C(=O)[N-]O[C@@H](CO)C(C)C)C1 ZINC000836893382 587841834 /nfs/dbraw/zinc/84/18/34/587841834.db2.gz KKELHCFLGDSECD-ILDUYXDCSA-N -1 3 245.319 0.866 20 0 BCADHM CCN(CC)CC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836896963 587841992 /nfs/dbraw/zinc/84/19/92/587841992.db2.gz UNKRZSTXHZCNIC-JTQLQIEISA-N -1 3 232.324 0.393 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C1=COCC1 ZINC000836898470 587842247 /nfs/dbraw/zinc/84/22/47/587842247.db2.gz WWURBSNGCDZAKC-SECBINFHSA-N -1 3 215.249 0.355 20 0 BCADHM C[C@H]1CC[C@@](C)(C(=O)[N-]OCC(N)=O)C1(C)C ZINC000837511340 587878925 /nfs/dbraw/zinc/87/89/25/587878925.db2.gz NCIJMBDNZSKVLJ-UFBFGSQYSA-N -1 3 242.319 0.982 20 0 BCADHM O=C(O[C@H]1CCOC1)c1cccc2nn[n-]c21 ZINC000837654175 587888008 /nfs/dbraw/zinc/88/80/08/587888008.db2.gz HGIFEDDWFSYAOP-ZETCQYMHSA-N -1 3 233.227 0.904 20 0 BCADHM O=C(O[C@H]1CCOC1)c1cccc2[n-]nnc21 ZINC000837654175 587888009 /nfs/dbraw/zinc/88/80/09/587888009.db2.gz HGIFEDDWFSYAOP-ZETCQYMHSA-N -1 3 233.227 0.904 20 0 BCADHM O=C(O[C@H]1CCOC1)c1cccc2n[n-]nc21 ZINC000837654175 587888011 /nfs/dbraw/zinc/88/80/11/587888011.db2.gz HGIFEDDWFSYAOP-ZETCQYMHSA-N -1 3 233.227 0.904 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@@]1(C)CCCCO1 ZINC000837676490 587890257 /nfs/dbraw/zinc/89/02/57/587890257.db2.gz KEXQXTXGRCBBDR-LLVKDONJSA-N -1 3 230.308 0.555 20 0 BCADHM CCC(C)(C)OCC(=O)[N-]OCCN(C)C ZINC000837677906 587890279 /nfs/dbraw/zinc/89/02/79/587890279.db2.gz ZVMHELXHAVGBCZ-UHFFFAOYSA-N -1 3 232.324 0.801 20 0 BCADHM CCNC(=O)COC(=O)c1cc([O-])ccc1F ZINC000837870305 587901365 /nfs/dbraw/zinc/90/13/65/587901365.db2.gz XNXOKHUMKGYARV-UHFFFAOYSA-N -1 3 241.218 0.824 20 0 BCADHM CCOC(=O)c1cc(C(=O)OCCO)[n-]c1C ZINC000837875971 587901775 /nfs/dbraw/zinc/90/17/75/587901775.db2.gz JXDVFWBYDMLJJR-UHFFFAOYSA-N -1 3 241.243 0.649 20 0 BCADHM CCCNC(=O)CCCC(=O)[N-]OC ZINC000104141867 587939453 /nfs/dbraw/zinc/93/94/53/587939453.db2.gz XALUCKALVABEJI-UHFFFAOYSA-N -1 3 202.254 0.361 20 0 BCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)CCC2CC2)C(=O)O1 ZINC000841521834 587957666 /nfs/dbraw/zinc/95/76/66/587957666.db2.gz GNLATDXFDSOJFN-APPZFPTMSA-N -1 3 247.316 0.410 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2ccc(N)cc2[O-])CO1 ZINC000843514110 588118139 /nfs/dbraw/zinc/11/81/39/588118139.db2.gz SMQJBCBNQNWQNZ-IONNQARKSA-N -1 3 236.271 0.882 20 0 BCADHM O=C([N-]O[C@H]1CCCCO1)[C@H]1CCC(=O)C1 ZINC000843782116 588139667 /nfs/dbraw/zinc/13/96/67/588139667.db2.gz PLBYZVFJZCJJSP-WPRPVWTQSA-N -1 3 227.260 0.930 20 0 BCADHM O=C([N-]OCc1cccnc1)[C@@H]1CCC(=O)C1 ZINC000843832601 588143921 /nfs/dbraw/zinc/14/39/21/588143921.db2.gz UNGSRZIVHMNDGZ-SNVBAGLBSA-N -1 3 234.255 0.999 20 0 BCADHM CC[C@@]1(C)NC(=O)N([N-]C(=O)C2(F)CC2)C1=O ZINC000843873767 588146709 /nfs/dbraw/zinc/14/67/09/588146709.db2.gz SIALYLZSFRUQKB-SECBINFHSA-N -1 3 243.238 0.240 20 0 BCADHM CCCNC(=O)CCC(=O)[N-]OCCC ZINC000844084223 588162785 /nfs/dbraw/zinc/16/27/85/588162785.db2.gz HBVGYXWPZOKHRC-UHFFFAOYSA-N -1 3 216.281 0.751 20 0 BCADHM CC/C=C/C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867346295 588167434 /nfs/dbraw/zinc/16/74/34/588167434.db2.gz XZVJZXYILUQQBW-AATRIKPKSA-N -1 3 240.350 0.515 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC000844137801 588169918 /nfs/dbraw/zinc/16/99/18/588169918.db2.gz YWOLZQOTMOSWMU-SSDOTTSWSA-N -1 3 215.249 0.174 20 0 BCADHM CCn1c(=O)[n-]nc1S[C@@H]1CCOC1=O ZINC000844261607 588177778 /nfs/dbraw/zinc/17/77/78/588177778.db2.gz HCHWXGLJOBASAL-RXMQYKEDSA-N -1 3 229.261 0.411 20 0 BCADHM O=C([N-][C@@H]1C[C@H]2CCCCN2C1=O)C(F)F ZINC000844558929 588202545 /nfs/dbraw/zinc/20/25/45/588202545.db2.gz DLUKTZKZTKJVAF-RNFRBKRXSA-N -1 3 232.230 0.521 20 0 BCADHM CC(C)n1cnc([N-]C(=O)c2cnn(C)n2)n1 ZINC000844736268 588215540 /nfs/dbraw/zinc/21/55/40/588215540.db2.gz XBDXVPFARKDUJE-UHFFFAOYSA-N -1 3 235.251 0.240 20 0 BCADHM CC(C)C[C@H](NC(=O)[C@@]1(F)CCNC1)C(=O)[O-] ZINC000844932289 588219543 /nfs/dbraw/zinc/21/95/43/588219543.db2.gz RZLHMALIHMPOOM-GZMMTYOYSA-N -1 3 246.282 0.304 20 0 BCADHM CC/C=C\CCOC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845376214 588228406 /nfs/dbraw/zinc/22/84/06/588228406.db2.gz QMPLRQFGZQZNRD-ZBJFTSOASA-N -1 3 247.316 0.578 20 0 BCADHM CC(C)[C@H](C)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845496039 588230640 /nfs/dbraw/zinc/23/06/40/588230640.db2.gz QBIDOBIRCMTQHS-JGVFFNPUSA-N -1 3 235.305 0.266 20 0 BCADHM CCC[C@@H](CC)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845493374 588230772 /nfs/dbraw/zinc/23/07/72/588230772.db2.gz INGUOGKNGMWWIQ-RKDXNWHRSA-N -1 3 249.332 0.800 20 0 BCADHM CCC/C=C\COC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845573734 588233577 /nfs/dbraw/zinc/23/35/77/588233577.db2.gz CDVWEPPEEWPXFA-WBSSQXGSSA-N -1 3 247.316 0.578 20 0 BCADHM CCC1(COC(=O)[C@@H]2CCS(=O)(=O)[N-]2)CC1 ZINC000845579391 588233831 /nfs/dbraw/zinc/23/38/31/588233831.db2.gz UVOBSEIJJIXGEQ-QMMMGPOBSA-N -1 3 247.316 0.412 20 0 BCADHM O=C(OC1CC2(CC2)C1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845586513 588234008 /nfs/dbraw/zinc/23/40/08/588234008.db2.gz VWYCXROHJMYUDA-MRVPVSSYSA-N -1 3 245.300 0.164 20 0 BCADHM COCC(C)=CC(=O)Nc1nnc(OC)[n-]1 ZINC000845911136 588250404 /nfs/dbraw/zinc/25/04/04/588250404.db2.gz HHLMBZUYLYKPRL-GQCTYLIASA-N -1 3 226.236 0.345 20 0 BCADHM COCC(C)=CC(=O)Nc1n[n-]c(OC)n1 ZINC000845911136 588250405 /nfs/dbraw/zinc/25/04/05/588250405.db2.gz HHLMBZUYLYKPRL-GQCTYLIASA-N -1 3 226.236 0.345 20 0 BCADHM COC/C(C)=C/C(=O)Nc1nc(OC)n[n-]1 ZINC000845911136 588250406 /nfs/dbraw/zinc/25/04/06/588250406.db2.gz HHLMBZUYLYKPRL-GQCTYLIASA-N -1 3 226.236 0.345 20 0 BCADHM COC/C(C)=C\C(=O)[N-]OCC(F)F ZINC000845945147 588251178 /nfs/dbraw/zinc/25/11/78/588251178.db2.gz XOIFSYUSXJVWCI-UTCJRWHESA-N -1 3 209.192 0.892 20 0 BCADHM Cc1nonc1CC(=O)Nc1nc(C)ccc1[O-] ZINC000846035331 588254473 /nfs/dbraw/zinc/25/44/73/588254473.db2.gz GSGOFXMWMPFECO-UHFFFAOYSA-N -1 3 248.242 0.968 20 0 BCADHM CCO[N-]C(=O)CNCc1cncn1CC ZINC000846081119 588255602 /nfs/dbraw/zinc/25/56/02/588255602.db2.gz KOPQWQWBVVHDPE-UHFFFAOYSA-N -1 3 226.280 0.060 20 0 BCADHM CCO[N-]C(=O)CNCc1cccc2nccn21 ZINC000846086238 588256084 /nfs/dbraw/zinc/25/60/84/588256084.db2.gz MVGUGTFNJXXZOU-UHFFFAOYSA-N -1 3 248.286 0.492 20 0 BCADHM Cc1nonc1CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000846271108 588263329 /nfs/dbraw/zinc/26/33/29/588263329.db2.gz RSCKHKQQQYOYKO-YFKPBYRVSA-N -1 3 240.288 0.528 20 0 BCADHM Cn1cnnc1[N-]C(=O)C1(F)CCOCC1 ZINC000867428720 588270177 /nfs/dbraw/zinc/27/01/77/588270177.db2.gz OXNBJVFGGQWEDY-UHFFFAOYSA-N -1 3 228.227 0.272 20 0 BCADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-][C@@H](C)CF ZINC000885414280 588278246 /nfs/dbraw/zinc/27/82/46/588278246.db2.gz VLMGXPGADAMMPP-LURJTMIESA-N -1 3 249.311 0.673 20 0 BCADHM CN1CCC(O[N-]C(=O)COC(F)F)CC1 ZINC000846650686 588280794 /nfs/dbraw/zinc/28/07/94/588280794.db2.gz YDDJQZHREDEMTB-UHFFFAOYSA-N -1 3 238.234 0.368 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)[N-]OC2CCN(C)CC2)CO1 ZINC000846650008 588280830 /nfs/dbraw/zinc/28/08/30/588280830.db2.gz LCFFTCVMUOQHJB-NXEZZACHSA-N -1 3 242.319 0.553 20 0 BCADHM CC[C@](C)(OC)C(=O)[N-]OC1CCN(C)CC1 ZINC000846649298 588281012 /nfs/dbraw/zinc/28/10/12/588281012.db2.gz GMRDHGXFOGKCNK-LBPRGKRZSA-N -1 3 244.335 0.944 20 0 BCADHM CO[C@@H](C(=O)[N-]OC1CCN(C)CC1)C1CC1 ZINC000846649699 588281035 /nfs/dbraw/zinc/28/10/35/588281035.db2.gz GVMYKCQEOFYNTF-LLVKDONJSA-N -1 3 242.319 0.553 20 0 BCADHM CCC1(C(=O)[N-]OC2CCN(C)CC2)COC1 ZINC000846647812 588281054 /nfs/dbraw/zinc/28/10/54/588281054.db2.gz QGQZRIFMLXEFSS-UHFFFAOYSA-N -1 3 242.319 0.555 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)C[C@H](C)OC ZINC000847019586 588302139 /nfs/dbraw/zinc/30/21/39/588302139.db2.gz VUOFCFZKZLVKQT-LURJTMIESA-N -1 3 241.247 0.560 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)C[C@H](C)OC ZINC000847019586 588302140 /nfs/dbraw/zinc/30/21/40/588302140.db2.gz VUOFCFZKZLVKQT-LURJTMIESA-N -1 3 241.247 0.560 20 0 BCADHM C[C@@H](CC(=O)[N-]O[C@H]1CCCCO1)NC(N)=O ZINC000847414591 588312697 /nfs/dbraw/zinc/31/26/97/588312697.db2.gz PATZSBZYHNMHQN-CBAPKCEASA-N -1 3 245.279 0.008 20 0 BCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000847588354 588317773 /nfs/dbraw/zinc/31/77/73/588317773.db2.gz MIBQLMJCPVQKAJ-RFZPGFLSSA-N -1 3 240.181 0.108 20 0 BCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCc1cccnc1 ZINC000847599844 588318534 /nfs/dbraw/zinc/31/85/34/588318534.db2.gz TVNCCTIPWLKDEE-ZJUUUORDSA-N -1 3 249.270 0.141 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]OC2CCOCC2)C1 ZINC000847753356 588328838 /nfs/dbraw/zinc/32/88/38/588328838.db2.gz GFDMGQHXHPKKEP-JTQLQIEISA-N -1 3 242.319 0.555 20 0 BCADHM COC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000107245244 588344557 /nfs/dbraw/zinc/34/45/57/588344557.db2.gz ZUVKIUIUNIPWPJ-UHFFFAOYSA-N -1 3 209.205 0.307 20 0 BCADHM COc1cc(C(=O)O[C@H]2CNOC2)ccc1[O-] ZINC000848060859 588352231 /nfs/dbraw/zinc/35/22/31/588352231.db2.gz VYDWQZRJKOMREH-QMMMGPOBSA-N -1 3 239.227 0.461 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000848120422 588358951 /nfs/dbraw/zinc/35/89/51/588358951.db2.gz GVFRHRLYWBYPDT-DJLDLDEBSA-N -1 3 228.292 0.592 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@@H](CO)C1CC1 ZINC000848372971 588374658 /nfs/dbraw/zinc/37/46/58/588374658.db2.gz JYCSXHFEFPIXIB-NSHDSACASA-N -1 3 236.271 0.217 20 0 BCADHM C[C@@H]1CN(C(=O)Cc2cncc([O-])c2)CCN1C ZINC000848371702 588374670 /nfs/dbraw/zinc/37/46/70/588374670.db2.gz SDTYOJQUROHKBO-SNVBAGLBSA-N -1 3 249.314 0.492 20 0 BCADHM CC(C)c1nnc([N-]Cc2ncn(C)n2)o1 ZINC000849165328 588458568 /nfs/dbraw/zinc/45/85/68/588458568.db2.gz HQIGUWWRDASNHR-UHFFFAOYSA-N -1 3 222.252 0.934 20 0 BCADHM O=C(N[C@H]1CCOC1=O)c1ccc(O)cc1[O-] ZINC000849212831 588461280 /nfs/dbraw/zinc/46/12/80/588461280.db2.gz QZWFJIUUOHUYRZ-QMMMGPOBSA-N -1 3 237.211 0.143 20 0 BCADHM O=C([O-])CN(CC1CC1)C(=O)[C@]1(F)CCNC1 ZINC000849366210 588476089 /nfs/dbraw/zinc/47/60/89/588476089.db2.gz PKFJVOKLUQANOK-NSHDSACASA-N -1 3 244.266 0.011 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-][C@H]2C=CCC2)c1 ZINC000849431481 588478624 /nfs/dbraw/zinc/47/86/24/588478624.db2.gz ZEARAZFDRXCDTG-VIFPVBQESA-N -1 3 241.316 0.900 20 0 BCADHM CO[C@@H](COC(=O)c1cnn[n-]1)[C@H]1CCOC1 ZINC000849776357 588497071 /nfs/dbraw/zinc/49/70/71/588497071.db2.gz JLZDTKKXSSOIFQ-CBAPKCEASA-N -1 3 241.247 0.013 20 0 BCADHM CO[C@@H](COC(=O)c1c[n-]nn1)[C@H]1CCOC1 ZINC000849776357 588497072 /nfs/dbraw/zinc/49/70/72/588497072.db2.gz JLZDTKKXSSOIFQ-CBAPKCEASA-N -1 3 241.247 0.013 20 0 BCADHM CO[C@H](COC(=O)c1cnn[n-]1)[C@@H]1CCOC1 ZINC000849776359 588497076 /nfs/dbraw/zinc/49/70/76/588497076.db2.gz JLZDTKKXSSOIFQ-VXNVDRBHSA-N -1 3 241.247 0.013 20 0 BCADHM CO[C@H](COC(=O)c1c[n-]nn1)[C@@H]1CCOC1 ZINC000849776359 588497077 /nfs/dbraw/zinc/49/70/77/588497077.db2.gz JLZDTKKXSSOIFQ-VXNVDRBHSA-N -1 3 241.247 0.013 20 0 BCADHM CC(C)=CCCOC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000849820308 588503013 /nfs/dbraw/zinc/50/30/13/588503013.db2.gz YGAGNFRUXWQKJM-VIFPVBQESA-N -1 3 247.316 0.578 20 0 BCADHM CCO[N-]C(=O)CNCc1cncc(OC)c1 ZINC000850340757 588537273 /nfs/dbraw/zinc/53/72/73/588537273.db2.gz ZOZOKKDIOJKRQK-UHFFFAOYSA-N -1 3 239.275 0.248 20 0 BCADHM CO[C@@H]1CCN(CCF)[C@H](C(=O)[O-])C1 ZINC000851708525 588615348 /nfs/dbraw/zinc/61/53/48/588615348.db2.gz WLXIZNQDBMZPLC-SFYZADRCSA-N -1 3 205.229 0.520 20 0 BCADHM CN(C)[C@@H]1CCN(C(=O)NCCCC(=O)[O-])C1 ZINC000110433707 588665993 /nfs/dbraw/zinc/66/59/93/588665993.db2.gz YBUMIRPDLXEHGU-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CCOC(=O)N1 ZINC000860736030 589117279 /nfs/dbraw/zinc/11/72/79/589117279.db2.gz VXIUHCVDBPQKTN-LURJTMIESA-N -1 3 237.215 0.224 20 0 BCADHM C[C@H](C(=O)[N-]OCC(F)F)[C@H]1CCC(=O)N1 ZINC000860812173 589121821 /nfs/dbraw/zinc/12/18/21/589121821.db2.gz RITGBUQELVTKPK-NTSWFWBYSA-N -1 3 236.218 0.214 20 0 BCADHM C[C@H](CC(=O)[N-]OCCO)c1ccco1 ZINC000860939709 589135685 /nfs/dbraw/zinc/13/56/85/589135685.db2.gz ONFWOAJWUMIYQX-MRVPVSSYSA-N -1 3 213.233 0.813 20 0 BCADHM O=C(NC(CF)CF)c1cc(=O)[n-]cn1 ZINC000861855649 589180861 /nfs/dbraw/zinc/18/08/61/589180861.db2.gz CITWIHSNIGYWNE-UHFFFAOYSA-N -1 3 217.175 0.220 20 0 BCADHM CC1=NO[C@H](CNC(=O)c2cc(=O)[n-]cn2)C1 ZINC000861889691 589182107 /nfs/dbraw/zinc/18/21/07/589182107.db2.gz HMBNPWRFXUEAIG-ZETCQYMHSA-N -1 3 236.231 0.077 20 0 BCADHM O=C(NC[C@H]1COCO1)c1ccccc1[O-] ZINC000861964007 589184798 /nfs/dbraw/zinc/18/47/98/589184798.db2.gz BRSXQMGVQSMSIJ-QMMMGPOBSA-N -1 3 223.228 0.495 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2COCO2)c1 ZINC000861964090 589184961 /nfs/dbraw/zinc/18/49/61/589184961.db2.gz DTITZNDEUXTBJT-SECBINFHSA-N -1 3 237.255 0.803 20 0 BCADHM C[C@H](C(=O)[N-]OCC1CCC1)[C@@H]1CCC(=O)N1 ZINC000862233542 589195977 /nfs/dbraw/zinc/19/59/77/589195977.db2.gz YHMSCFWSVCRIEW-WPRPVWTQSA-N -1 3 240.303 0.749 20 0 BCADHM CCn1nncc1C[N-]C(=O)C(F)(F)CC ZINC000862363267 589203925 /nfs/dbraw/zinc/20/39/25/589203925.db2.gz SBTYEDXFLIBQIA-UHFFFAOYSA-N -1 3 232.234 0.960 20 0 BCADHM O=C([N-]N1CCOC1=O)c1cc(C2CC2)[nH]n1 ZINC000862698175 589233000 /nfs/dbraw/zinc/23/30/00/589233000.db2.gz IIVHMRGIEBICCD-UHFFFAOYSA-N -1 3 236.231 0.384 20 0 BCADHM O=C([N-]N1CCOC1=O)[C@H]1CC1(Cl)Cl ZINC000862695282 589233116 /nfs/dbraw/zinc/23/31/16/589233116.db2.gz GWMNDXLFWCNAIB-SCSAIBSYSA-N -1 3 239.058 0.664 20 0 BCADHM O=C([N-]N1CCOC1=O)C1(F)CCCC1 ZINC000862702206 589234329 /nfs/dbraw/zinc/23/43/29/589234329.db2.gz BSRNNANOASWSNN-UHFFFAOYSA-N -1 3 216.212 0.752 20 0 BCADHM O=C([N-]N1CCOC1=O)c1c[nH]nc1C1CC1 ZINC000862702693 589234611 /nfs/dbraw/zinc/23/46/11/589234611.db2.gz NDTAZCPLEHITSC-UHFFFAOYSA-N -1 3 236.231 0.384 20 0 BCADHM CC(C)n1cc(C(=O)[N-]N2CCOC2=O)cn1 ZINC000862703744 589235021 /nfs/dbraw/zinc/23/50/21/589235021.db2.gz SMGWNUGWTNBDCQ-UHFFFAOYSA-N -1 3 238.247 0.561 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NC[C@H]1C[C@@H](O)C1 ZINC000863183835 589269392 /nfs/dbraw/zinc/26/93/92/589269392.db2.gz NUNWGIUQRIXGFX-SHLGALIJSA-N -1 3 248.282 0.688 20 0 BCADHM CC(C)OC(=O)OCSc1n[n-]c(CO)n1 ZINC000863323409 589279702 /nfs/dbraw/zinc/27/97/02/589279702.db2.gz BEYGOCHPKATHNS-UHFFFAOYSA-N -1 3 247.276 0.908 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1C[C@@H]1C[C@H]1C ZINC000863329214 589280916 /nfs/dbraw/zinc/28/09/16/589280916.db2.gz MMVCGEUKZBWDAZ-CSMHCCOUSA-N -1 3 232.305 0.050 20 0 BCADHM C[C@@H](CNc1ccnc(CO)c1)C(=O)[O-] ZINC000863733435 589313852 /nfs/dbraw/zinc/31/38/52/589313852.db2.gz OGVAEMRKGUWYLL-ZETCQYMHSA-N -1 3 210.233 0.707 20 0 BCADHM C[C@@H](CC(=O)[O-])Nc1ccnc(CO)c1 ZINC000863733487 589313997 /nfs/dbraw/zinc/31/39/97/589313997.db2.gz PMEGJHIRUJQAND-ZETCQYMHSA-N -1 3 210.233 0.849 20 0 BCADHM O=C([O-])[C@@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000863732371 589314065 /nfs/dbraw/zinc/31/40/65/589314065.db2.gz RUUORNXUNINXEP-SECBINFHSA-N -1 3 236.271 0.875 20 0 BCADHM O=C(CCc1cn[nH]c1)[N-]OC[C@@H]1CCOC1 ZINC000863909630 589325388 /nfs/dbraw/zinc/32/53/88/589325388.db2.gz YUDVYURXONCJMY-SNVBAGLBSA-N -1 3 239.275 0.427 20 0 BCADHM CC(C)OCCO[N-]C(=O)CN(C)C1CCC1 ZINC000863918483 589326102 /nfs/dbraw/zinc/32/61/02/589326102.db2.gz HRKLCHZHEXRTBZ-UHFFFAOYSA-N -1 3 244.335 0.944 20 0 BCADHM CCO[N-]C(=O)C[C@H]1CCOC[C@H]1OCC ZINC000864689524 589390159 /nfs/dbraw/zinc/39/01/59/589390159.db2.gz MWTBTOCIFVTJME-NXEZZACHSA-N -1 3 231.292 0.886 20 0 BCADHM COCC=CC(=O)Nc1nnc(SC)[n-]1 ZINC000865061774 589407175 /nfs/dbraw/zinc/40/71/75/589407175.db2.gz JMBYSUIATXOPAX-ARJAWSKDSA-N -1 3 228.277 0.668 20 0 BCADHM COC/C=C\C(=O)Nc1nc(SC)n[n-]1 ZINC000865061774 589407176 /nfs/dbraw/zinc/40/71/76/589407176.db2.gz JMBYSUIATXOPAX-ARJAWSKDSA-N -1 3 228.277 0.668 20 0 BCADHM COCC=CC(=O)Nc1n[n-]c(SC)n1 ZINC000865061774 589407178 /nfs/dbraw/zinc/40/71/78/589407178.db2.gz JMBYSUIATXOPAX-ARJAWSKDSA-N -1 3 228.277 0.668 20 0 BCADHM CC[C@H](C[C@@H](C)O)N=c1ncnc2[nH][n-]cc1-2 ZINC000866300863 589484743 /nfs/dbraw/zinc/48/47/43/589484743.db2.gz YKJXLZWFMIUORX-HTQZYQBOSA-N -1 3 235.291 0.688 20 0 BCADHM COCCO[N-]C(=O)CC1CSC1 ZINC000866354378 589487877 /nfs/dbraw/zinc/48/78/77/589487877.db2.gz IDFWGYKQTKCSIG-UHFFFAOYSA-N -1 3 205.279 0.434 20 0 BCADHM CCC[C@@H](C)[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866385157 589489145 /nfs/dbraw/zinc/48/91/45/589489145.db2.gz SGCUHPXWGZHFNH-SSDOTTSWSA-N -1 3 242.366 0.737 20 0 BCADHM CC(C)(C)C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866586945 589501569 /nfs/dbraw/zinc/50/15/69/589501569.db2.gz FVLQINCCDSZUQL-UHFFFAOYSA-N -1 3 242.366 0.595 20 0 BCADHM CCOCCO[N-]C(=O)CC1CSC1 ZINC000867491786 589522339 /nfs/dbraw/zinc/52/23/39/589522339.db2.gz RPBMWSVXWMDQCK-UHFFFAOYSA-N -1 3 219.306 0.824 20 0 BCADHM CS(C)(=O)=NS(=O)(=O)[N-][C@H]1C=CCC1 ZINC000867506489 589523367 /nfs/dbraw/zinc/52/33/67/589523367.db2.gz YDLRGGYAGPGRKP-ZETCQYMHSA-N -1 3 238.334 0.267 20 0 BCADHM O=C(CCC1(O)CCC1)[N-]OC[C@@H]1CCOC1 ZINC000867711260 589531656 /nfs/dbraw/zinc/53/16/56/589531656.db2.gz JQGZVOPUOWCFGL-SNVBAGLBSA-N -1 3 243.303 0.766 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CC1CSC1 ZINC000867858385 589537344 /nfs/dbraw/zinc/53/73/44/589537344.db2.gz AJZFMJFAAKNGEQ-UHFFFAOYSA-N -1 3 219.306 0.558 20 0 BCADHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000868427779 589558023 /nfs/dbraw/zinc/55/80/23/589558023.db2.gz ZVTJFEMHWNZIGX-ULAWRXDQSA-N -1 3 246.274 0.683 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@]12CCC[C@H]1OCC2 ZINC000868628260 589569082 /nfs/dbraw/zinc/56/90/82/589569082.db2.gz PJWPCUUYFGGOJC-PWSUYJOCSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@@H]1C[C@H](C(=O)[N-]OCCN(C)C)[C@@H](C)O1 ZINC000868628331 589569199 /nfs/dbraw/zinc/56/91/99/589569199.db2.gz RXOIQFWWOGIATD-BBBLOLIVSA-N -1 3 230.308 0.409 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CC1CSC1 ZINC000868659603 589570988 /nfs/dbraw/zinc/57/09/88/589570988.db2.gz AIPCXTKIJGQWDZ-UHFFFAOYSA-N -1 3 219.306 0.558 20 0 BCADHM COC/C=C\C(=O)[N-]O[C@@H](CO)C(C)C ZINC000868726062 589574936 /nfs/dbraw/zinc/57/49/36/589574936.db2.gz GIQBRKUKEFVZSZ-WBSSQXGSSA-N -1 3 217.265 0.254 20 0 BCADHM NC(=O)CO[N-]C(=O)CCC1CCCCC1 ZINC000122295809 589577517 /nfs/dbraw/zinc/57/75/17/589577517.db2.gz CPRDWDQFZHBHNU-UHFFFAOYSA-N -1 3 228.292 0.880 20 0 BCADHM CCC(C)=CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869021612 589584856 /nfs/dbraw/zinc/58/48/56/589584856.db2.gz JGOXCZWFPCNYQO-DAXSKMNVSA-N -1 3 237.259 0.860 20 0 BCADHM CC=C(CC)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869023071 589585367 /nfs/dbraw/zinc/58/53/67/589585367.db2.gz QSACDMOVVKQRBI-XVNBXDOJSA-N -1 3 237.259 0.860 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1CCOC1=O ZINC000869094754 589587373 /nfs/dbraw/zinc/58/73/73/589587373.db2.gz AQKYYAPIOXMQQC-YOLVWIGZSA-N -1 3 248.238 0.232 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N[C@H]1CCOC1=O ZINC000869094753 589587566 /nfs/dbraw/zinc/58/75/66/589587566.db2.gz AQKYYAPIOXMQQC-SYBPUXJVSA-N -1 3 248.238 0.232 20 0 BCADHM Cn1nnnc1CCOC(=O)c1ccc([O-])cc1 ZINC000869314189 589597931 /nfs/dbraw/zinc/59/79/31/589597931.db2.gz MZHAILNRILPGPU-UHFFFAOYSA-N -1 3 248.242 0.315 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)OCCCC1CC1 ZINC000869393672 589602948 /nfs/dbraw/zinc/60/29/48/589602948.db2.gz OGGZNNGHXGHLEB-UHFFFAOYSA-N -1 3 240.259 0.272 20 0 BCADHM C[C@H](O)COC(=O)c1cn[n-]c1[C@H]1CCCO1 ZINC000869898406 589637032 /nfs/dbraw/zinc/63/70/32/589637032.db2.gz GXBVBZNDTNUHRL-IONNQARKSA-N -1 3 240.259 0.799 20 0 BCADHM C[C@H](O)COC(=O)c1c[n-]nc1[C@H]1CCCO1 ZINC000869898406 589637035 /nfs/dbraw/zinc/63/70/35/589637035.db2.gz GXBVBZNDTNUHRL-IONNQARKSA-N -1 3 240.259 0.799 20 0 BCADHM CSCC[C@H](N)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000123169196 589670947 /nfs/dbraw/zinc/67/09/47/589670947.db2.gz QNHHMGITMDYELP-DTWKUNHWSA-N -1 3 248.348 0.641 20 0 BCADHM Cn1nc2c(c1NC(=O)c1nnc[n-]1)CCCC2 ZINC000870880757 589694254 /nfs/dbraw/zinc/69/42/54/589694254.db2.gz NRQAFEOPZKTKEC-UHFFFAOYSA-N -1 3 246.274 0.669 20 0 BCADHM Cn1nc2c(c1NC(=O)c1nc[n-]n1)CCCC2 ZINC000870880757 589694257 /nfs/dbraw/zinc/69/42/57/589694257.db2.gz NRQAFEOPZKTKEC-UHFFFAOYSA-N -1 3 246.274 0.669 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N[C@H]1CCC[C@@H]1O ZINC000871113370 589728107 /nfs/dbraw/zinc/72/81/07/589728107.db2.gz RCBHZRVEIHAZNG-DFPOMNKCSA-N -1 3 248.282 0.830 20 0 BCADHM O=C([O-])CCCN1CCN2C(=O)CC[C@H]2C1 ZINC000123489538 589730556 /nfs/dbraw/zinc/73/05/56/589730556.db2.gz TXKCRHMSCHARDS-VIFPVBQESA-N -1 3 226.276 0.158 20 0 BCADHM CC(=O)[N-]OCc1nc(C2CCC2)no1 ZINC000871729689 589799511 /nfs/dbraw/zinc/79/95/11/589799511.db2.gz YNWBQDLXAOLUBR-UHFFFAOYSA-N -1 3 211.221 0.905 20 0 BCADHM Cc1oc(=O)n(CC(=O)NCC(C)C)c1[O-] ZINC000871782064 589816421 /nfs/dbraw/zinc/81/64/21/589816421.db2.gz KRLLVJYETRGIDP-SSDOTTSWSA-N -1 3 228.248 0.126 20 0 BCADHM CCCc1noc(Cn2c([O-])c(C)oc2=O)n1 ZINC000871781909 589816705 /nfs/dbraw/zinc/81/67/05/589816705.db2.gz JJTDELGPPRAQJK-LURJTMIESA-N -1 3 239.231 0.889 20 0 BCADHM CCN(CC)C(=O)Cn1c([O-])c(C)oc1=O ZINC000871782579 589816927 /nfs/dbraw/zinc/81/69/27/589816927.db2.gz SMXCBDSILXXOOV-ZETCQYMHSA-N -1 3 228.248 0.222 20 0 BCADHM Cc1oc(=O)n(CC(=O)N[C@@H](C)C(C)C)c1[O-] ZINC000871782127 589817092 /nfs/dbraw/zinc/81/70/92/589817092.db2.gz LPZPOLQEDIVYRE-YUMQZZPRSA-N -1 3 242.275 0.514 20 0 BCADHM Cc1oc(=O)n(CC(=O)N[C@@H](C)C(C)C)c1[O-] ZINC000871782123 589817443 /nfs/dbraw/zinc/81/74/43/589817443.db2.gz LPZPOLQEDIVYRE-JGVFFNPUSA-N -1 3 242.275 0.514 20 0 BCADHM CCN1CCC(n2[n-]c(C(C)=O)cc2=O)CC1 ZINC000871949981 589839161 /nfs/dbraw/zinc/83/91/61/589839161.db2.gz SKYAGKQNGHQHME-UHFFFAOYSA-N -1 3 237.303 0.648 20 0 BCADHM C[C@@H]1CCc2[n-]n(CCS(C)(=O)=O)c(=O)c21 ZINC000871950333 589840291 /nfs/dbraw/zinc/84/02/91/589840291.db2.gz AJAAMYUUXCUZSB-APPZFPTMSA-N -1 3 244.316 0.275 20 0 BCADHM C[C@@H]1CCc2[n-]n(CCS(C)(=O)=O)c(=O)c21 ZINC000871950337 589840390 /nfs/dbraw/zinc/84/03/90/589840390.db2.gz AJAAMYUUXCUZSB-VXNVDRBHSA-N -1 3 244.316 0.275 20 0 BCADHM CNC(=O)CCN(C)c1cc(Cl)n[n-]c1=O ZINC000872441348 589939589 /nfs/dbraw/zinc/93/95/89/589939589.db2.gz NYHGZBAGBCHCII-UHFFFAOYSA-N -1 3 244.682 0.408 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CCC[C@H]1CO ZINC000872443118 589939673 /nfs/dbraw/zinc/93/96/73/589939673.db2.gz UAGQDBWGQOLFAS-LURJTMIESA-N -1 3 229.667 0.797 20 0 BCADHM CN1CC[C@@H](Nc2cc(Cl)n[n-]c2=O)C1=O ZINC000872460238 589941351 /nfs/dbraw/zinc/94/13/51/589941351.db2.gz AKXFHSLIZAFPNH-RXMQYKEDSA-N -1 3 242.666 0.478 20 0 BCADHM C[C@H](Nc1cc(Cl)n[n-]c1=O)C(=O)N(C)C ZINC000872518973 589946323 /nfs/dbraw/zinc/94/63/23/589946323.db2.gz AVDLREGUTUGWEM-YFKPBYRVSA-N -1 3 244.682 0.724 20 0 BCADHM CC(CO)(CO)CNc1cc(Cl)n[n-]c1=O ZINC000872553013 589949987 /nfs/dbraw/zinc/94/99/87/589949987.db2.gz RSXLAKLXVPOXOC-UHFFFAOYSA-N -1 3 247.682 0.238 20 0 BCADHM COC(=O)[C@@H](F)CNc1cc(Cl)n[n-]c1=O ZINC000872569782 589952496 /nfs/dbraw/zinc/95/24/96/589952496.db2.gz ASKXKSAFXRHLCP-BYPYZUCNSA-N -1 3 249.629 0.759 20 0 BCADHM CC1(C(N)=O)CN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872581440 589954165 /nfs/dbraw/zinc/95/41/65/589954165.db2.gz NYVHLDNJTGLMFA-UHFFFAOYSA-N -1 3 242.666 0.147 20 0 BCADHM O=S(=O)([N-]C[C@H]1C[C@H](O)C1)c1ccco1 ZINC000872580446 589954334 /nfs/dbraw/zinc/95/43/34/589954334.db2.gz UJMVRBKJLAKHOG-ZKCHVHJHSA-N -1 3 231.273 0.329 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2CC23CCC3)c1 ZINC000872651893 589959162 /nfs/dbraw/zinc/95/91/62/589959162.db2.gz LEJRRJHLNMYDAF-MRVPVSSYSA-N -1 3 241.316 0.641 20 0 BCADHM O=C(OC[C@H]1CC2(CCC2)CO1)c1cnn[n-]1 ZINC000873393934 590037032 /nfs/dbraw/zinc/03/70/32/590037032.db2.gz SRAWYYYDFXWAFZ-MRVPVSSYSA-N -1 3 237.259 0.921 20 0 BCADHM O=C(OC[C@H]1CC2(CCC2)CO1)c1c[n-]nn1 ZINC000873393934 590037034 /nfs/dbraw/zinc/03/70/34/590037034.db2.gz SRAWYYYDFXWAFZ-MRVPVSSYSA-N -1 3 237.259 0.921 20 0 BCADHM Cc1nonc1[N-]C(=O)c1cnn2c1OCCC2 ZINC000888646725 590117104 /nfs/dbraw/zinc/11/71/04/590117104.db2.gz NWGJEPPBAJPVQN-UHFFFAOYSA-N -1 3 249.230 0.609 20 0 BCADHM Cc1nccnc1[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000874668718 590123025 /nfs/dbraw/zinc/12/30/25/590123025.db2.gz SGUFRUOPRJACTB-SSDOTTSWSA-N -1 3 232.247 0.394 20 0 BCADHM Cc1nccnc1[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000874668718 590123026 /nfs/dbraw/zinc/12/30/26/590123026.db2.gz SGUFRUOPRJACTB-SSDOTTSWSA-N -1 3 232.247 0.394 20 0 BCADHM Cc1nccnc1[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000874668718 590123027 /nfs/dbraw/zinc/12/30/27/590123027.db2.gz SGUFRUOPRJACTB-SSDOTTSWSA-N -1 3 232.247 0.394 20 0 BCADHM O=C(C[C@@H]1COC(=O)C1)Nc1ccncc1[O-] ZINC000125123175 590125145 /nfs/dbraw/zinc/12/51/45/590125145.db2.gz GPYDHWYURRBWBF-ZETCQYMHSA-N -1 3 236.227 0.679 20 0 BCADHM [O-]C(=NOCC(F)F)Nc1ncccn1 ZINC000888692960 590183628 /nfs/dbraw/zinc/18/36/28/590183628.db2.gz OVDRSXQQWCWHNR-UHFFFAOYSA-N -1 3 218.163 0.795 20 0 BCADHM O=C([N-]OCC(F)F)Nc1ncccn1 ZINC000888692960 590183629 /nfs/dbraw/zinc/18/36/29/590183629.db2.gz OVDRSXQQWCWHNR-UHFFFAOYSA-N -1 3 218.163 0.795 20 0 BCADHM C=C/C=C/CCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000877889673 590440107 /nfs/dbraw/zinc/44/01/07/590440107.db2.gz KSVDIEXDDURREL-CYNONHLPSA-N -1 3 244.316 0.526 20 0 BCADHM COC[C@@H](Cn1c([O-])coc1=O)C(C)C ZINC000877891441 590441116 /nfs/dbraw/zinc/44/11/16/590441116.db2.gz QFZPCIRWRCKHPZ-MRVPVSSYSA-N -1 3 215.249 0.884 20 0 BCADHM CSc1nnc(NC(=O)COC2CC2)[n-]1 ZINC000878547307 590590221 /nfs/dbraw/zinc/59/02/21/590590221.db2.gz CHXWJZFDJROFSX-UHFFFAOYSA-N -1 3 228.277 0.644 20 0 BCADHM CSc1n[n-]c(NC(=O)COC2CC2)n1 ZINC000878547307 590590222 /nfs/dbraw/zinc/59/02/22/590590222.db2.gz CHXWJZFDJROFSX-UHFFFAOYSA-N -1 3 228.277 0.644 20 0 BCADHM CSc1nc(NC(=O)COC2CC2)n[n-]1 ZINC000878547307 590590223 /nfs/dbraw/zinc/59/02/23/590590223.db2.gz CHXWJZFDJROFSX-UHFFFAOYSA-N -1 3 228.277 0.644 20 0 BCADHM CCc1csc([N-]C(=O)c2nnn(C)n2)n1 ZINC000878741008 590618281 /nfs/dbraw/zinc/61/82/81/590618281.db2.gz PJUICTDVVAHJNB-UHFFFAOYSA-N -1 3 238.276 0.481 20 0 BCADHM O=C([O-])c1ccc(CN[C@@H]2CCOC2)o1 ZINC000087784952 604331384 /nfs/dbraw/zinc/33/13/84/604331384.db2.gz VJLIKXFMQCMCCU-SSDOTTSWSA-N -1 3 211.217 0.856 20 0 BCADHM CC[C@H]1CCC[C@]1(C)C(=O)[N-]OCC(N)=O ZINC000879380847 590757931 /nfs/dbraw/zinc/75/79/31/590757931.db2.gz ZJDNWYNPVYTKBS-KWQFWETISA-N -1 3 228.292 0.736 20 0 BCADHM CC(C)(NCc1n[nH]c(=O)[n-]1)[C@H]1CCCCO1 ZINC000879406069 590761814 /nfs/dbraw/zinc/76/18/14/590761814.db2.gz LDBWWWVGMDQTMS-MRVPVSSYSA-N -1 3 240.307 0.948 20 0 BCADHM O=C(CCn1cccn1)[N-]O[C@H]1CCCCO1 ZINC000128157390 590912051 /nfs/dbraw/zinc/91/20/51/590912051.db2.gz HFUNHQHQWPZKQN-NSHDSACASA-N -1 3 239.275 0.848 20 0 BCADHM Cn1cc(NC(=O)c2cc(C(F)F)[n-]n2)nn1 ZINC000880075235 590918716 /nfs/dbraw/zinc/91/87/16/590918716.db2.gz IWGCMTOBFAHKQI-UHFFFAOYSA-N -1 3 242.189 0.728 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]OCCCC(=O)OC ZINC000888816363 591048490 /nfs/dbraw/zinc/04/84/90/591048490.db2.gz HRIPZNONWLABAZ-VIFPVBQESA-N -1 3 247.291 0.539 20 0 BCADHM CC[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCOC1 ZINC000880470608 591052111 /nfs/dbraw/zinc/05/21/11/591052111.db2.gz PHUAHNJUACDLNT-DTWKUNHWSA-N -1 3 240.307 0.805 20 0 BCADHM CN(CC(C)(C)O)c1ccc(-c2nnn[n-]2)cn1 ZINC000095148002 598943510 /nfs/dbraw/zinc/94/35/10/598943510.db2.gz IVAFMKONQMDOCH-UHFFFAOYSA-N -1 3 248.290 0.469 20 0 BCADHM CN(CC(C)(C)O)c1ccc(-c2nn[n-]n2)cn1 ZINC000095148002 598943512 /nfs/dbraw/zinc/94/35/12/598943512.db2.gz IVAFMKONQMDOCH-UHFFFAOYSA-N -1 3 248.290 0.469 20 0 BCADHM Cn1cc(NC([O-])=NOC2CCC2)nn1 ZINC000881211609 591172947 /nfs/dbraw/zinc/17/29/47/591172947.db2.gz DFMTUZAWOGCWMG-UHFFFAOYSA-N -1 3 211.225 0.421 20 0 BCADHM Cn1cc(NC(=O)[N-]OC2CCC2)nn1 ZINC000881211609 591172950 /nfs/dbraw/zinc/17/29/50/591172950.db2.gz DFMTUZAWOGCWMG-UHFFFAOYSA-N -1 3 211.225 0.421 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)n2cc([C@@H](C)O)nn2)n1 ZINC000881357181 591194877 /nfs/dbraw/zinc/19/48/77/591194877.db2.gz PUZCIVFNXJLWLN-JGVFFNPUSA-N -1 3 249.274 0.745 20 0 BCADHM Cn1cc(C(=O)NC[C@@H]2C=CCC2)c(=O)[n-]c1=O ZINC000881491941 591216502 /nfs/dbraw/zinc/21/65/02/591216502.db2.gz DKAQALYJMBBHER-MRVPVSSYSA-N -1 3 249.270 0.182 20 0 BCADHM CC(C)CON=c1cc(C(N)=O)[n-]cn1 ZINC000882146027 591305651 /nfs/dbraw/zinc/30/56/51/591305651.db2.gz WXIMIHHESVBAMG-UHFFFAOYSA-N -1 3 210.237 0.575 20 0 BCADHM Cc1ncnc(N(C)C[C@@H](C)c2nnn[n-]2)c1C ZINC000882181799 591312498 /nfs/dbraw/zinc/31/24/98/591312498.db2.gz KSUIYDJBGLAFRG-SSDOTTSWSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1ncnc(N(C)C[C@@H](C)c2nn[n-]n2)c1C ZINC000882181799 591312500 /nfs/dbraw/zinc/31/25/00/591312500.db2.gz KSUIYDJBGLAFRG-SSDOTTSWSA-N -1 3 247.306 0.846 20 0 BCADHM CO[C@H]1C[C@@H](CSCCc2nnn[n-]2)C1 ZINC000882191928 591314537 /nfs/dbraw/zinc/31/45/37/591314537.db2.gz YEVJDBSYPRWTHA-OCAPTIKFSA-N -1 3 228.321 0.900 20 0 BCADHM CO[C@H]1C[C@@H](CSCCc2nn[n-]n2)C1 ZINC000882191928 591314540 /nfs/dbraw/zinc/31/45/40/591314540.db2.gz YEVJDBSYPRWTHA-OCAPTIKFSA-N -1 3 228.321 0.900 20 0 BCADHM CCC(C)(C)NC(=O)Cn1c([O-])coc1=O ZINC000882273715 591324070 /nfs/dbraw/zinc/32/40/70/591324070.db2.gz UXXBOGNDXYDXDJ-UHFFFAOYSA-N -1 3 228.248 0.270 20 0 BCADHM Cc1ccnc(C(=O)Cn2c([O-])coc2=O)c1 ZINC000882276174 591324411 /nfs/dbraw/zinc/32/44/11/591324411.db2.gz CNYDOIKSRDQEME-UHFFFAOYSA-N -1 3 234.211 0.552 20 0 BCADHM CC(C)(C)n1ncnc1Cn1c([O-])coc1=O ZINC000882276065 591324567 /nfs/dbraw/zinc/32/45/67/591324567.db2.gz INDIOPOYBFNKFQ-UHFFFAOYSA-N -1 3 238.247 0.512 20 0 BCADHM COc1cccc(Cn2c([O-])coc2=O)n1 ZINC000882276041 591324680 /nfs/dbraw/zinc/32/46/80/591324680.db2.gz XNBASLWPYSQRCJ-UHFFFAOYSA-N -1 3 222.200 0.569 20 0 BCADHM Cc1cc(Cn2c([O-])coc2=O)nn1C ZINC000882275998 591324953 /nfs/dbraw/zinc/32/49/53/591324953.db2.gz WWNDPPYHTBXSPJ-UHFFFAOYSA-N -1 3 209.205 0.207 20 0 BCADHM O=c1occ([O-])n1CC1CCC(=O)CC1 ZINC000882276876 591325705 /nfs/dbraw/zinc/32/57/05/591325705.db2.gz XTECMFXTJYADBF-UHFFFAOYSA-N -1 3 211.217 0.725 20 0 BCADHM CC(C)OCCON=c1[n-]ccnc1C(N)=O ZINC000882390430 591341430 /nfs/dbraw/zinc/34/14/30/591341430.db2.gz JKWYNAWVFQCKKZ-UHFFFAOYSA-N -1 3 240.263 0.344 20 0 BCADHM CC(C)(C)c1nnc([N-][C@@H]2COC[C@H]2O)o1 ZINC000882426188 591346396 /nfs/dbraw/zinc/34/63/96/591346396.db2.gz MWUJGGUTIAOVSK-RNFRBKRXSA-N -1 3 227.264 0.539 20 0 BCADHM Clc1cncc(SCCc2nn[n-]n2)n1 ZINC000882473783 591355464 /nfs/dbraw/zinc/35/54/64/591355464.db2.gz SFIXVRRSXKHIQY-UHFFFAOYSA-N -1 3 242.695 0.978 20 0 BCADHM Clc1cncc(SCCc2nnn[n-]2)n1 ZINC000882473783 591355461 /nfs/dbraw/zinc/35/54/61/591355461.db2.gz SFIXVRRSXKHIQY-UHFFFAOYSA-N -1 3 242.695 0.978 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CC=C[C@@H]1CO ZINC000882977452 591490920 /nfs/dbraw/zinc/49/09/20/591490920.db2.gz IXSMWGQERWOBAJ-ZCFIWIBFSA-N -1 3 227.651 0.573 20 0 BCADHM C[C@H](CN(C)CCn1ccccc1=O)C(=O)[O-] ZINC000214404187 591558312 /nfs/dbraw/zinc/55/83/12/591558312.db2.gz VVBYFNIKDBWYJY-SNVBAGLBSA-N -1 3 238.287 0.501 20 0 BCADHM CCN1CCN(C/C=C(\C)C(=O)[O-])CC1 ZINC000214619315 591675241 /nfs/dbraw/zinc/67/52/41/591675241.db2.gz PICULYGVEZUDMI-ONNFQVAWSA-N -1 3 212.293 0.655 20 0 BCADHM CCCC[C@@H](C(=O)[O-])N1CCN(C(C)=O)CC1 ZINC000132531049 591717058 /nfs/dbraw/zinc/71/70/58/591717058.db2.gz BRWGPICCTYZSLW-NSHDSACASA-N -1 3 242.319 0.794 20 0 BCADHM COCCN(C/C=C(\C)C(=O)[O-])CCOC ZINC000214708421 591738455 /nfs/dbraw/zinc/73/84/55/591738455.db2.gz MYQSXRWVUXZZEZ-ONNFQVAWSA-N -1 3 231.292 0.612 20 0 BCADHM O=C(NN1CC(=O)[N-]C1=O)c1ccc(F)cc1 ZINC000029018488 591757466 /nfs/dbraw/zinc/75/74/66/591757466.db2.gz CXVCQVLHUKSTER-UHFFFAOYSA-N -1 3 237.190 0.022 20 0 BCADHM COc1nn(C)cc1C(=O)[N-]OCCC1CC1 ZINC000883970695 591786790 /nfs/dbraw/zinc/78/67/90/591786790.db2.gz BHIDVJGFSWBNLS-UHFFFAOYSA-N -1 3 239.275 0.890 20 0 BCADHM COc1nn(C)cc1C(=O)[N-]OC1CCC1 ZINC000883970952 591786822 /nfs/dbraw/zinc/78/68/22/591786822.db2.gz LBFPFZXWGLVBBZ-UHFFFAOYSA-N -1 3 225.248 0.643 20 0 BCADHM COc1nn(C)cc1C(=O)[N-]OCC1CCC1 ZINC000883973909 591786873 /nfs/dbraw/zinc/78/68/73/591786873.db2.gz IRPYOMAAZGQIDI-UHFFFAOYSA-N -1 3 239.275 0.890 20 0 BCADHM CC[C@H](OC(=O)c1cccc2nn[n-]c21)C(N)=O ZINC000800208529 591839581 /nfs/dbraw/zinc/83/95/81/591839581.db2.gz KAQQCPMCGNBLAF-QMMMGPOBSA-N -1 3 248.242 0.379 20 0 BCADHM CC[C@H](OC(=O)c1cccc2[n-]nnc21)C(N)=O ZINC000800208529 591839583 /nfs/dbraw/zinc/83/95/83/591839583.db2.gz KAQQCPMCGNBLAF-QMMMGPOBSA-N -1 3 248.242 0.379 20 0 BCADHM CC[C@H](OC(=O)c1cccc2n[n-]nc21)C(N)=O ZINC000800208529 591839584 /nfs/dbraw/zinc/83/95/84/591839584.db2.gz KAQQCPMCGNBLAF-QMMMGPOBSA-N -1 3 248.242 0.379 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@]2(C)CCNC2=O)c1 ZINC000889042913 591848053 /nfs/dbraw/zinc/84/80/53/591848053.db2.gz RLKIRFCECKULCS-ZDUSSCGKSA-N -1 3 248.282 0.709 20 0 BCADHM CO[N-]C(=O)[C@H](N)Cc1cc2ccccc2o1 ZINC000884175042 591866391 /nfs/dbraw/zinc/86/63/91/591866391.db2.gz GUMYGJKQVWZRPS-SNVBAGLBSA-N -1 3 234.255 0.980 20 0 BCADHM CC(C)CO[N-]C(=O)c1cnns1 ZINC000134140286 591891910 /nfs/dbraw/zinc/89/19/10/591891910.db2.gz SROIFSQOQFPFMW-UHFFFAOYSA-N -1 3 201.251 0.856 20 0 BCADHM CC[C@@H](C)[C@H](N)C(=O)[N-]OCC(F)(F)F ZINC000134164641 591897887 /nfs/dbraw/zinc/89/78/87/591897887.db2.gz UHDNKEIZLQGTAG-RITPCOANSA-N -1 3 228.214 0.970 20 0 BCADHM COCCO[N-]C(=O)CCc1ccco1 ZINC000135137617 591992130 /nfs/dbraw/zinc/99/21/30/591992130.db2.gz OSGMDGILMLQVPX-UHFFFAOYSA-N -1 3 213.233 0.906 20 0 BCADHM CC(C)CO[N-]C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000135328519 592007587 /nfs/dbraw/zinc/00/75/87/592007587.db2.gz VLFWONXUUMHDTM-MRVPVSSYSA-N -1 3 235.305 0.125 20 0 BCADHM CC(C)CO[N-]C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000135328536 592007823 /nfs/dbraw/zinc/00/78/23/592007823.db2.gz VLFWONXUUMHDTM-QMMMGPOBSA-N -1 3 235.305 0.125 20 0 BCADHM C/C(=C/CN(C)CC[C@@H](C)O)C(=O)[O-] ZINC000135385049 592010741 /nfs/dbraw/zinc/01/07/41/592010741.db2.gz PADLNVIJRHPQSH-USYJTPIQSA-N -1 3 201.266 0.720 20 0 BCADHM C/C(=C/CN(C)CC[C@H](C)O)C(=O)[O-] ZINC000135385030 592010798 /nfs/dbraw/zinc/01/07/98/592010798.db2.gz PADLNVIJRHPQSH-OTOXVQDCSA-N -1 3 201.266 0.720 20 0 BCADHM C[C@@H](CF)[N-]S(=O)(=O)c1ccccn1 ZINC000885409188 592076229 /nfs/dbraw/zinc/07/62/29/592076229.db2.gz NPIFNTXQNHRGFL-ZETCQYMHSA-N -1 3 218.253 0.718 20 0 BCADHM CN(CC1CC1)S(=O)(=O)[N-]C(CF)CF ZINC000885417818 592077187 /nfs/dbraw/zinc/07/71/87/592077187.db2.gz DEPBNQFOYBGQGE-UHFFFAOYSA-N -1 3 242.291 0.470 20 0 BCADHM C[C@H]1CCCN1S(=O)(=O)[N-]C(CF)CF ZINC000885417342 592077563 /nfs/dbraw/zinc/07/75/63/592077563.db2.gz ZGMATXKAWFWABC-ZETCQYMHSA-N -1 3 242.291 0.613 20 0 BCADHM CC(C)CN(C)S(=O)(=O)[N-]C(CF)CF ZINC000885416551 592077697 /nfs/dbraw/zinc/07/76/97/592077697.db2.gz HPYSBUZZTIUWNS-UHFFFAOYSA-N -1 3 244.307 0.716 20 0 BCADHM O=S(=O)([N-][C@]12C[C@H]1COC2)c1cscn1 ZINC000885490643 592081053 /nfs/dbraw/zinc/08/10/53/592081053.db2.gz CPNMZAXUYDEAIX-XPUUQOCRSA-N -1 3 246.313 0.210 20 0 BCADHM CCCNC(=O)[C@@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000218289837 592153474 /nfs/dbraw/zinc/15/34/74/592153474.db2.gz ZKXXFGIMSNVYGE-RKDXNWHRSA-N -1 3 228.292 0.308 20 0 BCADHM CN1CCC[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886273186 592193914 /nfs/dbraw/zinc/19/39/14/592193914.db2.gz PPNRCTOMQUMCSD-NSHDSACASA-N -1 3 235.287 0.498 20 0 BCADHM O=C(CC1OCCO1)NCc1cncc([O-])c1 ZINC000886276222 592195623 /nfs/dbraw/zinc/19/56/23/592195623.db2.gz AQCKDHNGYIFLBB-UHFFFAOYSA-N -1 3 238.243 0.166 20 0 BCADHM CN1C(=O)CC[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886276326 592196728 /nfs/dbraw/zinc/19/67/28/592196728.db2.gz FANQARCSCQUHQS-JTQLQIEISA-N -1 3 249.270 0.024 20 0 BCADHM COCC1(C(=O)NCc2cncc([O-])c2)CC1 ZINC000886278342 592197672 /nfs/dbraw/zinc/19/76/72/592197672.db2.gz WIJKIJXXDQWERF-UHFFFAOYSA-N -1 3 236.271 0.830 20 0 BCADHM CCO[C@H]1C[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886281611 592199460 /nfs/dbraw/zinc/19/94/60/592199460.db2.gz DTAZTMCJYVCZQU-MNOVXSKESA-N -1 3 236.271 0.828 20 0 BCADHM Cc1cnn(CC(=O)NCc2cncc([O-])c2)c1 ZINC000886281648 592199522 /nfs/dbraw/zinc/19/95/22/592199522.db2.gz FXOQIQZVDDJCHH-UHFFFAOYSA-N -1 3 246.270 0.609 20 0 BCADHM COC(=O)[C@H]1CCN1C(=O)c1cccc([O-])c1 ZINC000888044530 592568018 /nfs/dbraw/zinc/56/80/18/592568018.db2.gz WFXJAYWLOFVEQU-SNVBAGLBSA-N -1 3 235.239 0.780 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC[C@H]1CO ZINC000889123897 592582574 /nfs/dbraw/zinc/58/25/74/592582574.db2.gz HORPGBVTTYAOKH-VIFPVBQESA-N -1 3 207.229 0.599 20 0 BCADHM CO[C@H]1CC[C@H]1N(C)C(=O)c1cc(=O)[n-]cn1 ZINC000889321863 592596556 /nfs/dbraw/zinc/59/65/56/592596556.db2.gz PSPQINUEBWXJHL-BDAKNGLRSA-N -1 3 237.259 0.432 20 0 BCADHM CCn1cc(Cl)c(NC([O-])=NOCCO)n1 ZINC000889590971 592623346 /nfs/dbraw/zinc/62/33/46/592623346.db2.gz YTXNTGDDSPUDDU-UHFFFAOYSA-N -1 3 248.670 0.602 20 0 BCADHM CCn1cc(Cl)c(NC(=O)[N-]OCCO)n1 ZINC000889590971 592623349 /nfs/dbraw/zinc/62/33/49/592623349.db2.gz YTXNTGDDSPUDDU-UHFFFAOYSA-N -1 3 248.670 0.602 20 0 BCADHM Cn1nnc([N-]C(=O)c2cc(C3CC3)on2)n1 ZINC000889634509 592636375 /nfs/dbraw/zinc/63/63/75/592636375.db2.gz UNXRBCRIAXMDTN-UHFFFAOYSA-N -1 3 234.219 0.328 20 0 BCADHM COc1nn(C)cc1C[N-]C(=O)C(F)F ZINC000890042929 592670778 /nfs/dbraw/zinc/67/07/78/592670778.db2.gz XWOWHMHMVACFQX-UHFFFAOYSA-N -1 3 219.191 0.310 20 0 BCADHM O=C(NC[C@]12C[C@H]1COC21CCC1)c1c[n-]nn1 ZINC000890180321 592690065 /nfs/dbraw/zinc/69/00/65/592690065.db2.gz LTKKKVZZSQUMIJ-GZMMTYOYSA-N -1 3 248.286 0.494 20 0 BCADHM O=C(NC[C@]12C[C@H]1COC21CCC1)c1cnn[n-]1 ZINC000890180321 592690066 /nfs/dbraw/zinc/69/00/66/592690066.db2.gz LTKKKVZZSQUMIJ-GZMMTYOYSA-N -1 3 248.286 0.494 20 0 BCADHM O=C(NC[C@]12C[C@H]1COC21CCC1)c1cn[n-]n1 ZINC000890180321 592690068 /nfs/dbraw/zinc/69/00/68/592690068.db2.gz LTKKKVZZSQUMIJ-GZMMTYOYSA-N -1 3 248.286 0.494 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)COC1CC1 ZINC000890438066 592698427 /nfs/dbraw/zinc/69/84/27/592698427.db2.gz YNCPJVNEBPQMKM-UHFFFAOYSA-N -1 3 239.231 0.314 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)COC1CC1 ZINC000890438066 592698428 /nfs/dbraw/zinc/69/84/28/592698428.db2.gz YNCPJVNEBPQMKM-UHFFFAOYSA-N -1 3 239.231 0.314 20 0 BCADHM CN(CC(=O)[O-])Cc1cnc2ccnn2c1 ZINC000739632174 596903808 /nfs/dbraw/zinc/90/38/08/596903808.db2.gz PXQHBBIQCBKSEX-UHFFFAOYSA-N -1 3 220.232 0.246 20 0 BCADHM C[C@@H](CN(C)[C@@H](C)C(=O)[O-])CS(C)(=O)=O ZINC000381039360 596977807 /nfs/dbraw/zinc/97/78/07/596977807.db2.gz DIXLRUMLKFRIMR-YUMQZZPRSA-N -1 3 237.321 0.072 20 0 BCADHM CC(C)N1CC[C@H](N(C)CCC(=O)[O-])C1=O ZINC000694726096 597000489 /nfs/dbraw/zinc/00/04/89/597000489.db2.gz FUUVSFMIHOKKEH-VIFPVBQESA-N -1 3 228.292 0.402 20 0 BCADHM CN(CCC(=O)[O-])C(=O)[C@H]1CCCCN1C ZINC000082246771 597009228 /nfs/dbraw/zinc/00/92/28/597009228.db2.gz JVZAAEFVRQMSFO-SECBINFHSA-N -1 3 228.292 0.404 20 0 BCADHM CN1CCC[C@H]1CNC(=O)CSCC(=O)[O-] ZINC000225779868 597101822 /nfs/dbraw/zinc/10/18/22/597101822.db2.gz BAIXYNKYRLVJSN-QMMMGPOBSA-N -1 3 246.332 0.015 20 0 BCADHM CCNC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000054299809 597103396 /nfs/dbraw/zinc/10/33/96/597103396.db2.gz SBOMUPVDKVJEDN-SECBINFHSA-N -1 3 228.292 0.309 20 0 BCADHM CCN1CCCN(C(=O)NCCC(=O)[O-])CC1 ZINC000307800864 597273381 /nfs/dbraw/zinc/27/33/81/597273381.db2.gz APSBZQPVYLBLPY-UHFFFAOYSA-N -1 3 243.307 0.198 20 0 BCADHM CN1CCCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000040520954 597306182 /nfs/dbraw/zinc/30/61/82/597306182.db2.gz UAIFMMVNYCSWRC-UHFFFAOYSA-N -1 3 243.307 0.198 20 0 BCADHM CCNC(=O)CN(C)CCCCC(=O)[O-] ZINC000049727537 597770388 /nfs/dbraw/zinc/77/03/88/597770388.db2.gz UGSOMKDOLFWXHN-UHFFFAOYSA-N -1 3 216.281 0.309 20 0 BCADHM CN(C)C[C@@H]1CN(CCCCC(=O)[O-])CCO1 ZINC000737950451 597778173 /nfs/dbraw/zinc/77/81/73/597778173.db2.gz UWLFJFHASYLIAA-LLVKDONJSA-N -1 3 244.335 0.504 20 0 BCADHM C[C@H](C(N)=O)N(C)CCCCC(=O)[O-] ZINC000711095674 597806132 /nfs/dbraw/zinc/80/61/32/597806132.db2.gz PQDXQXNNUDHJCH-SSDOTTSWSA-N -1 3 202.254 0.047 20 0 BCADHM CCC[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N(C)C ZINC000820304473 598051931 /nfs/dbraw/zinc/05/19/31/598051931.db2.gz UESLFRDEZCPXEN-ZJUUUORDSA-N -1 3 242.319 0.650 20 0 BCADHM CCC[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N(C)C ZINC000820304469 598052020 /nfs/dbraw/zinc/05/20/20/598052020.db2.gz UESLFRDEZCPXEN-UWVGGRQHSA-N -1 3 242.319 0.650 20 0 BCADHM CCC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N(C)C ZINC000820304467 598052375 /nfs/dbraw/zinc/05/23/75/598052375.db2.gz UESLFRDEZCPXEN-NXEZZACHSA-N -1 3 242.319 0.650 20 0 BCADHM Cn1cnnc1CNC1CCC(C(=O)[O-])CC1 ZINC000150226730 598099850 /nfs/dbraw/zinc/09/98/50/598099850.db2.gz XHZDBSBGFORKSD-UHFFFAOYSA-N -1 3 238.291 0.548 20 0 BCADHM COC(=O)c1ccc(CN[C@H](C)C(=O)[O-])o1 ZINC000049358031 598198202 /nfs/dbraw/zinc/19/82/02/598198202.db2.gz OEAMBFLGUGVQOB-ZCFIWIBFSA-N -1 3 227.216 0.629 20 0 BCADHM NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000095339122 598323451 /nfs/dbraw/zinc/32/34/51/598323451.db2.gz JXJLGLZEHJBIPC-UHFFFAOYSA-N -1 3 236.210 0.174 20 0 BCADHM NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000095339122 598323452 /nfs/dbraw/zinc/32/34/52/598323452.db2.gz JXJLGLZEHJBIPC-UHFFFAOYSA-N -1 3 236.210 0.174 20 0 BCADHM CC(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000095131811 607353514 /nfs/dbraw/zinc/35/35/14/607353514.db2.gz YSXAHKLPPIUUPD-UHFFFAOYSA-N -1 3 221.195 0.964 20 0 BCADHM CC(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000095131811 607353516 /nfs/dbraw/zinc/35/35/16/607353516.db2.gz YSXAHKLPPIUUPD-UHFFFAOYSA-N -1 3 221.195 0.964 20 0 BCADHM CCNC(=O)CNc1cccc(-c2nnn[n-]2)c1 ZINC000095172793 598419229 /nfs/dbraw/zinc/41/92/29/598419229.db2.gz SKPXWZHLMPWAFR-UHFFFAOYSA-N -1 3 246.274 0.415 20 0 BCADHM CCNC(=O)CNc1cccc(-c2nn[n-]n2)c1 ZINC000095172793 598419231 /nfs/dbraw/zinc/41/92/31/598419231.db2.gz SKPXWZHLMPWAFR-UHFFFAOYSA-N -1 3 246.274 0.415 20 0 BCADHM C[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095245190 598628334 /nfs/dbraw/zinc/62/83/34/598628334.db2.gz ALBVYSMHUUNYRI-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM C[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095245190 598628336 /nfs/dbraw/zinc/62/83/36/598628336.db2.gz ALBVYSMHUUNYRI-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000095142482 598632955 /nfs/dbraw/zinc/63/29/55/598632955.db2.gz AKUMOWGXGIEISG-UHFFFAOYSA-N -1 3 222.183 0.496 20 0 BCADHM NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000095142482 598632957 /nfs/dbraw/zinc/63/29/57/598632957.db2.gz AKUMOWGXGIEISG-UHFFFAOYSA-N -1 3 222.183 0.496 20 0 BCADHM O=C([O-])c1ccc(CN2CCC[C@H]2CO)o1 ZINC000042433047 599813483 /nfs/dbraw/zinc/81/34/83/599813483.db2.gz YDNDJOSUDSKCNH-QMMMGPOBSA-N -1 3 225.244 0.935 20 0 BCADHM O=C([O-])CCNC(=O)CN1CCCCCC1 ZINC000739734950 600003199 /nfs/dbraw/zinc/00/31/99/600003199.db2.gz PQWCRISNTNAKLE-UHFFFAOYSA-N -1 3 228.292 0.453 20 0 BCADHM CN(CC(=O)[O-])Cc1cc(=O)n2ccccc2n1 ZINC000035304514 600069109 /nfs/dbraw/zinc/06/91/09/600069109.db2.gz MJBREVQVALTMJY-UHFFFAOYSA-N -1 3 247.254 0.211 20 0 BCADHM O=C([O-])C1(NCC(=O)N2CCC2)CCCCC1 ZINC000739306749 600148347 /nfs/dbraw/zinc/14/83/47/600148347.db2.gz ISDCFUHJUXTBMD-UHFFFAOYSA-N -1 3 240.303 0.596 20 0 BCADHM CCN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC000040503039 600160634 /nfs/dbraw/zinc/16/06/34/600160634.db2.gz IBPFXKVXFOKTEU-AEJSXWLSSA-N -1 3 240.303 0.308 20 0 BCADHM CN(CCCC(=O)[O-])Cc1cnn(C)c1 ZINC000042489065 600223071 /nfs/dbraw/zinc/22/30/71/600223071.db2.gz ITULZZQSZGBZIL-UHFFFAOYSA-N -1 3 211.265 0.717 20 0 BCADHM CC(C)N(CCC(=O)[O-])CC(=O)NC1CC1 ZINC000037474321 600220106 /nfs/dbraw/zinc/22/01/06/600220106.db2.gz WRLFPJIMBKWIEZ-UHFFFAOYSA-N -1 3 228.292 0.450 20 0 BCADHM CCn1cc(CN(C)CCC(=O)[O-])cn1 ZINC000050541174 600286918 /nfs/dbraw/zinc/28/69/18/600286918.db2.gz IZLYOCQOLDJKFB-UHFFFAOYSA-N -1 3 211.265 0.810 20 0 BCADHM CCC[C@](C)(NCc1nncn1C)C(=O)[O-] ZINC000050422683 600319688 /nfs/dbraw/zinc/31/96/88/600319688.db2.gz NDISWOOAVPIPBQ-JTQLQIEISA-N -1 3 226.280 0.548 20 0 BCADHM Cn1nnnc1CNC1(C(=O)[O-])CCCCC1 ZINC000739061969 600320454 /nfs/dbraw/zinc/32/04/54/600320454.db2.gz DXSUWUPDUOBWCW-UHFFFAOYSA-N -1 3 239.279 0.087 20 0 BCADHM C[C@H](C(=O)NC1CC1)N(C)C[C@H](C)C(=O)[O-] ZINC000251082192 600374130 /nfs/dbraw/zinc/37/41/30/600374130.db2.gz ICNBZCUUDKMMPP-JGVFFNPUSA-N -1 3 228.292 0.306 20 0 BCADHM CCNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000041802857 600460034 /nfs/dbraw/zinc/46/00/34/600460034.db2.gz RKWSTSQGIMUZLT-UHFFFAOYSA-N -1 3 228.292 0.500 20 0 BCADHM O=C([O-])c1ccc(CN2CC[C@H](CO)C2)o1 ZINC000051886962 600622365 /nfs/dbraw/zinc/62/23/65/600622365.db2.gz NBGBTUDGWGXWFF-QMMMGPOBSA-N -1 3 225.244 0.792 20 0 BCADHM O=C([O-])c1occc1CN1CC[C@H](CO)C1 ZINC000165895003 600622716 /nfs/dbraw/zinc/62/27/16/600622716.db2.gz FBMYRPYXBOJPQG-QMMMGPOBSA-N -1 3 225.244 0.792 20 0 BCADHM CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])[C@H]1CCCN(C)C1 ZINC000250586849 600871986 /nfs/dbraw/zinc/87/19/86/600871986.db2.gz GTPZGEKJHQBOMO-LPEHRKFASA-N -1 3 240.303 0.260 20 0 BCADHM C/C(=C\CN(C)C[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000707886356 601163739 /nfs/dbraw/zinc/16/37/39/601163739.db2.gz WBPQMIPUEZFYCL-INJWIWPUSA-N -1 3 242.319 0.280 20 0 BCADHM CN(C)CCN(C)C(=O)NCCCC(=O)[O-] ZINC000082548828 601314946 /nfs/dbraw/zinc/31/49/46/601314946.db2.gz ZPZWWFXPKKULKM-UHFFFAOYSA-N -1 3 231.296 0.054 20 0 BCADHM O=C([O-])CCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000380867459 601421308 /nfs/dbraw/zinc/42/13/08/601421308.db2.gz YEHVYEZVWCJNRQ-QMMMGPOBSA-N -1 3 241.209 0.850 20 0 BCADHM CCOCCCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000830000350 601442554 /nfs/dbraw/zinc/44/25/54/601442554.db2.gz FVNAOTDQVOEGSQ-JTQLQIEISA-N -1 3 219.256 0.912 20 0 BCADHM C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000235366827 601504761 /nfs/dbraw/zinc/50/47/61/601504761.db2.gz ZCCZAGQJLCAJPT-RKDXNWHRSA-N -1 3 249.332 0.074 20 0 BCADHM Cc1cnc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)cn1 ZINC000693797063 601504999 /nfs/dbraw/zinc/50/49/99/601504999.db2.gz RFXHQYLWCHGLNE-KWQFWETISA-N -1 3 235.287 0.938 20 0 BCADHM CC[C@H](C)NC(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227151155 601537829 /nfs/dbraw/zinc/53/78/29/601537829.db2.gz NHTVGEQYMNHNPE-KXUCPTDWSA-N -1 3 242.319 0.554 20 0 BCADHM CCNCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000829804170 601577058 /nfs/dbraw/zinc/57/70/58/601577058.db2.gz SGCSSYGDYRYLAP-UHFFFAOYSA-N -1 3 243.288 0.318 20 0 BCADHM COCC[C@@H](C)N1CCO[C@H](CC(=O)[O-])C1 ZINC000085618534 601841737 /nfs/dbraw/zinc/84/17/37/601841737.db2.gz KYUUJUBDNLORPR-NXEZZACHSA-N -1 3 231.292 0.587 20 0 BCADHM C[C@]1(C(=O)[O-])CCN(CC(=O)NCC2CC2)C1 ZINC000062936282 601922564 /nfs/dbraw/zinc/92/25/64/601922564.db2.gz XSMWKIYLXIMYGB-LBPRGKRZSA-N -1 3 240.303 0.309 20 0 BCADHM Cc1nn(C)c(C)c1CNCCNC(=O)[O-] ZINC000740245919 602054299 /nfs/dbraw/zinc/05/42/99/602054299.db2.gz KQZPDWSHWMPOFS-UHFFFAOYSA-N -1 3 226.280 0.394 20 0 BCADHM COc1ccc(CNCCNC(=O)[O-])cc1O ZINC000739901014 602055625 /nfs/dbraw/zinc/05/56/25/602055625.db2.gz DFGSCXNEEQTAQC-UHFFFAOYSA-N -1 3 240.259 0.758 20 0 BCADHM Cn1cncc1CNCCN(C(=O)[O-])C1CC1 ZINC000740293086 602056612 /nfs/dbraw/zinc/05/66/12/602056612.db2.gz CPSXBCLOXJGTHD-UHFFFAOYSA-N -1 3 238.291 0.652 20 0 BCADHM CCCN(CCN(C)C)C(=O)CN(C)C(=O)[O-] ZINC000739357283 602194200 /nfs/dbraw/zinc/19/42/00/602194200.db2.gz NLUXFUZIHKTHMR-UHFFFAOYSA-N -1 3 245.323 0.396 20 0 BCADHM C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(=O)[O-] ZINC000032025490 602248760 /nfs/dbraw/zinc/24/87/60/602248760.db2.gz ZLDDRZYQBHVEMH-NXEZZACHSA-N -1 3 242.319 0.840 20 0 BCADHM CC[C@@H](C(N)=O)N1CCC(CNC(=O)[O-])CC1 ZINC000739214973 602311550 /nfs/dbraw/zinc/31/15/50/602311550.db2.gz SRGRFLHLUUMPHS-VIFPVBQESA-N -1 3 243.307 0.230 20 0 BCADHM CCN(CCNCc1cn[nH]c1)C(=O)[O-] ZINC000739434902 602311946 /nfs/dbraw/zinc/31/19/46/602311946.db2.gz WVVWWWQKNAZIPM-UHFFFAOYSA-N -1 3 212.253 0.499 20 0 BCADHM CC(C)(CNC(=O)[O-])NCc1cn[nH]c1 ZINC000738753496 602318175 /nfs/dbraw/zinc/31/81/75/602318175.db2.gz XYFIJHRGFCHZOZ-UHFFFAOYSA-N -1 3 212.253 0.546 20 0 BCADHM Cc1cc(N[C@@H]2CCN(C(=O)[O-])C2)nc(N)n1 ZINC000740091040 602491529 /nfs/dbraw/zinc/49/15/29/602491529.db2.gz JVRBTMIHLZSVGE-SSDOTTSWSA-N -1 3 237.263 0.531 20 0 BCADHM CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738833330 602536950 /nfs/dbraw/zinc/53/69/50/602536950.db2.gz FRLMXZMTJOGGEA-VIFPVBQESA-N -1 3 243.307 0.195 20 0 BCADHM CN(CCCNCc1cc[nH]n1)C(=O)[O-] ZINC000739679693 602648484 /nfs/dbraw/zinc/64/84/84/602648484.db2.gz HGMHTPVMBUPVAZ-UHFFFAOYSA-N -1 3 212.253 0.499 20 0 BCADHM CN(CCCNCc1nccn1C)C(=O)[O-] ZINC000739685850 602648955 /nfs/dbraw/zinc/64/89/55/602648955.db2.gz YIQRSRRDGRFHPM-UHFFFAOYSA-N -1 3 226.280 0.510 20 0 BCADHM COC[C@H](O)CN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739810110 602691345 /nfs/dbraw/zinc/69/13/45/602691345.db2.gz IXFXORURJHILKY-NXEZZACHSA-N -1 3 246.307 0.068 20 0 BCADHM C[C@@H]1CN(CCCCO)C[C@@H](C)N1C(=O)[O-] ZINC000739184128 602838812 /nfs/dbraw/zinc/83/88/12/602838812.db2.gz VBBXVKGNUYMQAM-NXEZZACHSA-N -1 3 230.308 0.832 20 0 BCADHM O=C([O-])N1CC[C@@H](NCc2cncnc2)C1 ZINC000740505888 602878063 /nfs/dbraw/zinc/87/80/63/602878063.db2.gz FYBWFMBPOKRAQR-SECBINFHSA-N -1 3 222.248 0.319 20 0 BCADHM O=C([O-])N1CC[C@@H](NCc2cccnc2)C1 ZINC000740506470 602878225 /nfs/dbraw/zinc/87/82/25/602878225.db2.gz ZUSPQBUZGZAVLA-SNVBAGLBSA-N -1 3 221.260 0.924 20 0 BCADHM O=C([O-])N1CC[C@H](NCc2cn[nH]c2)C1 ZINC000740505618 602878606 /nfs/dbraw/zinc/87/86/06/602878606.db2.gz PKSFNCAUGQYQFK-QMMMGPOBSA-N -1 3 210.237 0.252 20 0 BCADHM C[C@](CO)(NCCNC(=O)[O-])c1ccccc1 ZINC000738940843 602929180 /nfs/dbraw/zinc/92/91/80/602929180.db2.gz REZBUVKKAHYBOO-GFCCVEGCSA-N -1 3 238.287 0.751 20 0 BCADHM CC[C@H](O)CN1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000739271637 602938230 /nfs/dbraw/zinc/93/82/30/602938230.db2.gz PMGRPKIPEYHQDL-BBBLOLIVSA-N -1 3 230.308 0.830 20 0 BCADHM CC(C)N(CC(N)=O)C[C@H]1CCN(C(=O)[O-])C1 ZINC000738837486 602976999 /nfs/dbraw/zinc/97/69/99/602976999.db2.gz SXRUBPFGVCRNPT-VIFPVBQESA-N -1 3 243.307 0.182 20 0 BCADHM CCCN(C)CC(=O)NC(C)(C)CNC(=O)[O-] ZINC000739352035 603024434 /nfs/dbraw/zinc/02/44/34/603024434.db2.gz SWWKTKFBUPHJJV-UHFFFAOYSA-N -1 3 245.323 0.491 20 0 BCADHM CCN(CC)CC(=O)N(C)CCCNC(=O)[O-] ZINC000739405812 603238625 /nfs/dbraw/zinc/23/86/25/603238625.db2.gz DPEURVQKCBRVIW-UHFFFAOYSA-N -1 3 245.323 0.444 20 0 BCADHM CN(CCCNC(=O)[O-])C(=O)[C@@H]1CCCN1C ZINC000739674989 603239387 /nfs/dbraw/zinc/23/93/87/603239387.db2.gz RWIXGMQYCXLTPL-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM Cc1cc(CN[C@H]2CCCN(C(=O)[O-])C2)[nH]n1 ZINC000740076943 603245826 /nfs/dbraw/zinc/24/58/26/603245826.db2.gz OUUPETCOTNSVEL-VIFPVBQESA-N -1 3 238.291 0.950 20 0 BCADHM Cn1cncc1CN[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739059314 603245905 /nfs/dbraw/zinc/24/59/05/603245905.db2.gz YPKLPPYYXSQWKU-SECBINFHSA-N -1 3 238.291 0.652 20 0 BCADHM CN1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739736597 603321911 /nfs/dbraw/zinc/32/19/11/603321911.db2.gz GQOJRNHSFGHCSV-JTQLQIEISA-N -1 3 227.308 0.234 20 0 BCADHM CCN(CC)CC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739406373 604484393 /nfs/dbraw/zinc/48/43/93/604484393.db2.gz FZKVWFDJEIHRMJ-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM O=C([O-])NCCN[C@@H](CO)c1ccccc1 ZINC000740658826 604525121 /nfs/dbraw/zinc/52/51/21/604525121.db2.gz MQSKANRHWZIYIO-JTQLQIEISA-N -1 3 224.260 0.577 20 0 BCADHM Cc1cc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)nn1C ZINC000688119790 604674021 /nfs/dbraw/zinc/67/40/21/604674021.db2.gz YKFVESRVRBHKBO-LDYMZIIASA-N -1 3 237.303 0.881 20 0 BCADHM C[C@H]1C[C@@H](O)CN1Cc1ccc(C(=O)[O-])o1 ZINC000385017574 604933838 /nfs/dbraw/zinc/93/38/38/604933838.db2.gz UDCPOKBMXWYXEZ-JGVFFNPUSA-N -1 3 225.244 0.933 20 0 BCADHM C[C@H](C(=O)N(C)C)N(C)C[C@H](C)C(=O)[O-] ZINC000251142214 604963579 /nfs/dbraw/zinc/96/35/79/604963579.db2.gz WMLYNPXSXLWNLC-JGVFFNPUSA-N -1 3 216.281 0.116 20 0 BCADHM CC[C@@H](C)[C@H](C)NCc1cn(CC(=O)[O-])nn1 ZINC000318814081 605002961 /nfs/dbraw/zinc/00/29/61/605002961.db2.gz XAAFALGIZUGDRO-BDAKNGLRSA-N -1 3 240.307 0.887 20 0 BCADHM CC[C@@H](C)[C@@H](C)NCc1cn(CC(=O)[O-])nn1 ZINC000318814088 605003141 /nfs/dbraw/zinc/00/31/41/605003141.db2.gz XAAFALGIZUGDRO-RKDXNWHRSA-N -1 3 240.307 0.887 20 0 BCADHM O=C(NC1CCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826429458 607730813 /nfs/dbraw/zinc/73/08/13/607730813.db2.gz DCVXTAHVSULLDJ-UHFFFAOYSA-N -1 3 232.247 0.477 20 0 BCADHM O=C(NC1CCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826429458 607730815 /nfs/dbraw/zinc/73/08/15/607730815.db2.gz DCVXTAHVSULLDJ-UHFFFAOYSA-N -1 3 232.247 0.477 20 0 BCADHM CCC[C@H](C(=O)N[C@H](C)C(=O)[O-])N(C)C ZINC000820304715 605054699 /nfs/dbraw/zinc/05/46/99/605054699.db2.gz WRDIRWAAWSIYOB-HTQZYQBOSA-N -1 3 216.281 0.306 20 0 BCADHM CC(C)C[C@H](C)NCc1cn(CC(=O)[O-])nn1 ZINC000304365220 605305774 /nfs/dbraw/zinc/30/57/74/605305774.db2.gz FFKNFWKSSVWQKI-VIFPVBQESA-N -1 3 240.307 0.887 20 0 BCADHM OCC1(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000095235206 606141550 /nfs/dbraw/zinc/14/15/50/606141550.db2.gz SOVPQRNWCMWJEF-UHFFFAOYSA-N -1 3 246.274 0.446 20 0 BCADHM OCC1(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000095235206 606141552 /nfs/dbraw/zinc/14/15/52/606141552.db2.gz SOVPQRNWCMWJEF-UHFFFAOYSA-N -1 3 246.274 0.446 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000095159947 606285133 /nfs/dbraw/zinc/28/51/33/606285133.db2.gz CPGFHPTVUYRJAU-HTRCEHHLSA-N -1 3 246.274 0.343 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000095159947 606285134 /nfs/dbraw/zinc/28/51/34/606285134.db2.gz CPGFHPTVUYRJAU-HTRCEHHLSA-N -1 3 246.274 0.343 20 0 BCADHM C[C@H]1C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000095159948 606285360 /nfs/dbraw/zinc/28/53/60/606285360.db2.gz CPGFHPTVUYRJAU-POYBYMJQSA-N -1 3 246.274 0.343 20 0 BCADHM C[C@H]1C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000095159948 606285361 /nfs/dbraw/zinc/28/53/61/606285361.db2.gz CPGFHPTVUYRJAU-POYBYMJQSA-N -1 3 246.274 0.343 20 0 BCADHM C[C@H](CO)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824441809 608123353 /nfs/dbraw/zinc/12/33/53/608123353.db2.gz SLKHMRQWDJCXJF-MRVPVSSYSA-N -1 3 233.275 0.684 20 0 BCADHM O=C(NC1CCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826429524 609189803 /nfs/dbraw/zinc/18/98/03/609189803.db2.gz GAPABAATRCZORX-UHFFFAOYSA-N -1 3 246.274 0.867 20 0 BCADHM O=C(NC1CCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826429524 609189804 /nfs/dbraw/zinc/18/98/04/609189804.db2.gz GAPABAATRCZORX-UHFFFAOYSA-N -1 3 246.274 0.867 20 0 BCADHM NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826393129 609287277 /nfs/dbraw/zinc/28/72/77/609287277.db2.gz COTKUPHOTKCUJS-UHFFFAOYSA-N -1 3 223.623 0.619 20 0 BCADHM NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826393129 609287278 /nfs/dbraw/zinc/28/72/78/609287278.db2.gz COTKUPHOTKCUJS-UHFFFAOYSA-N -1 3 223.623 0.619 20 0 BCADHM CCOc1nnc(NC(=O)Cc2ccncc2)[n-]1 ZINC000228783966 635465392 /nfs/dbraw/zinc/46/53/92/635465392.db2.gz OODQMHAVBZZNIB-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM CCOc1nc(NC(=O)Cc2ccncc2)n[n-]1 ZINC000228783966 635465397 /nfs/dbraw/zinc/46/53/97/635465397.db2.gz OODQMHAVBZZNIB-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM CCOc1n[n-]c(NC(=O)Cc2ccncc2)n1 ZINC000228783966 635465405 /nfs/dbraw/zinc/46/54/05/635465405.db2.gz OODQMHAVBZZNIB-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM CCOc1nnc(NC(=O)[C@](C)(CC)OC)[n-]1 ZINC000233810643 635542354 /nfs/dbraw/zinc/54/23/54/635542354.db2.gz DTEZYNZVPAJGKK-JTQLQIEISA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nc(NC(=O)[C@](C)(CC)OC)n[n-]1 ZINC000233810643 635542360 /nfs/dbraw/zinc/54/23/60/635542360.db2.gz DTEZYNZVPAJGKK-JTQLQIEISA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@](C)(CC)OC)n1 ZINC000233810643 635542366 /nfs/dbraw/zinc/54/23/66/635542366.db2.gz DTEZYNZVPAJGKK-JTQLQIEISA-N -1 3 242.279 0.957 20 0 BCADHM Nc1ccc(C(=O)N2CCOCC2)c([O-])c1 ZINC000082290159 635606265 /nfs/dbraw/zinc/60/62/65/635606265.db2.gz HIPPVKFSYRXMDJ-UHFFFAOYSA-N -1 3 222.244 0.447 20 0 BCADHM Cc1cc(=O)[n-]c(CSCCO)n1 ZINC000308357030 631297167 /nfs/dbraw/zinc/29/71/67/631297167.db2.gz BQTPKIQQNIVRGJ-UHFFFAOYSA-N -1 3 200.263 0.716 20 0 BCADHM CN1CCC[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000082277860 631403866 /nfs/dbraw/zinc/40/38/66/631403866.db2.gz YMLLLLOZLVTXME-LURJTMIESA-N -1 3 210.199 0.759 20 0 BCADHM COCCOCCCNc1cc(=O)[n-]c(C)n1 ZINC000234659406 631656219 /nfs/dbraw/zinc/65/62/19/631656219.db2.gz JROMMPJGVPFOKK-UHFFFAOYSA-N -1 3 241.291 0.956 20 0 BCADHM CCOc1nnc(NC(=O)C[C@H]2CCCO2)[n-]1 ZINC000228784434 632502292 /nfs/dbraw/zinc/50/22/92/632502292.db2.gz BNBOCTVKQQJERE-SSDOTTSWSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1nc(NC(=O)C[C@H]2CCCO2)n[n-]1 ZINC000228784434 632502304 /nfs/dbraw/zinc/50/23/04/632502304.db2.gz BNBOCTVKQQJERE-SSDOTTSWSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1n[n-]c(NC(=O)C[C@H]2CCCO2)n1 ZINC000228784434 632502312 /nfs/dbraw/zinc/50/23/12/632502312.db2.gz BNBOCTVKQQJERE-SSDOTTSWSA-N -1 3 240.263 0.711 20 0 BCADHM C[C@@H]1C[C@@H](Nc2cc(=O)[n-]cn2)CCO1 ZINC000235439719 632736941 /nfs/dbraw/zinc/73/69/41/632736941.db2.gz OYDMGAHTPSOLMG-SFYZADRCSA-N -1 3 209.249 0.749 20 0 BCADHM O=c1cc(NC[C@@H](O)C(F)(F)F)nc[n-]1 ZINC000236543840 632967702 /nfs/dbraw/zinc/96/77/02/632967702.db2.gz MXJNIQHDAHTUFJ-SCSAIBSYSA-N -1 3 223.154 0.105 20 0 BCADHM CC(=O)[N-]OCC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000178194454 632984840 /nfs/dbraw/zinc/98/48/40/632984840.db2.gz ZWFYCMWOZVIAND-IUCAKERBSA-N -1 3 228.292 0.559 20 0 BCADHM CC(=O)[N-]OCC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000178194465 632985379 /nfs/dbraw/zinc/98/53/79/632985379.db2.gz ZWFYCMWOZVIAND-RKDXNWHRSA-N -1 3 228.292 0.559 20 0 BCADHM CC(=O)[N-]OCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000178196127 632989214 /nfs/dbraw/zinc/98/92/14/632989214.db2.gz JTEXYYXCWOOEOW-IUCAKERBSA-N -1 3 228.292 0.844 20 0 BCADHM CSCCO[N-]C(=O)CC1(C)COC1 ZINC000935756086 632990262 /nfs/dbraw/zinc/99/02/62/632990262.db2.gz LWOGYEDZOXMAFD-UHFFFAOYSA-N -1 3 219.306 0.824 20 0 BCADHM Cc1nc(NCC(=O)NC2CC2)cc(=O)[n-]1 ZINC000165198292 633087541 /nfs/dbraw/zinc/08/75/41/633087541.db2.gz ZOVSGTPSBXMOSK-UHFFFAOYSA-N -1 3 222.248 0.181 20 0 BCADHM C[C@]12COC[C@H]1CN(c1cc(=O)[n-]cn1)C2 ZINC000894563798 635910241 /nfs/dbraw/zinc/91/02/41/635910241.db2.gz LPSSZDPZCXOIQO-KCJUWKMLSA-N -1 3 221.260 0.655 20 0 BCADHM Cc1n[nH]c(C(=O)N[C@H]2CCN(C)[C@H]2C)c1[O-] ZINC000928431625 635917116 /nfs/dbraw/zinc/91/71/16/635917116.db2.gz ADTSGWOGRNVIKO-YUMQZZPRSA-N -1 3 238.291 0.246 20 0 BCADHM O=C(NOCc1ccccc1)c1c[n-]nn1 ZINC000048890729 635950591 /nfs/dbraw/zinc/95/05/91/635950591.db2.gz GDLWCLMSRBCSJD-UHFFFAOYSA-N -1 3 218.216 0.666 20 0 BCADHM O=C(NOCc1ccccc1)c1cnn[n-]1 ZINC000048890729 635950597 /nfs/dbraw/zinc/95/05/97/635950597.db2.gz GDLWCLMSRBCSJD-UHFFFAOYSA-N -1 3 218.216 0.666 20 0 BCADHM O=C(NOCc1ccccc1)c1cn[n-]n1 ZINC000048890729 635950603 /nfs/dbraw/zinc/95/06/03/635950603.db2.gz GDLWCLMSRBCSJD-UHFFFAOYSA-N -1 3 218.216 0.666 20 0 BCADHM CO[N-]C(=O)Cc1cn(C)nc1Cl ZINC000306230109 635958362 /nfs/dbraw/zinc/95/83/62/635958362.db2.gz KEJJQTFQOYXYHT-UHFFFAOYSA-N -1 3 203.629 0.294 20 0 BCADHM O=c1cc(NC[C@@H]2CCCCO2)nc[n-]1 ZINC000165216641 636027459 /nfs/dbraw/zinc/02/74/59/636027459.db2.gz LWHYAUJXGXKRDL-QMMMGPOBSA-N -1 3 209.249 0.751 20 0 BCADHM CC(C)[C@@H](C(=O)N[C@@H](C)CCC(=O)[O-])N(C)C ZINC000909447763 636063939 /nfs/dbraw/zinc/06/39/39/636063939.db2.gz AJMCLASSNIHFCN-ONGXEEELSA-N -1 3 244.335 0.942 20 0 BCADHM CC(C)N(C)CC(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000909468124 636082151 /nfs/dbraw/zinc/08/21/51/636082151.db2.gz VROSIACULNQXSS-SNVBAGLBSA-N -1 3 242.319 0.696 20 0 BCADHM Cc1cnc(C(=O)NC[C@H]2CCN2C)c([O-])c1 ZINC000928556545 636094609 /nfs/dbraw/zinc/09/46/09/636094609.db2.gz ATGKMALPPNYKLN-SECBINFHSA-N -1 3 235.287 0.530 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccc2c(c1)CCC2 ZINC000180607890 633896408 /nfs/dbraw/zinc/89/64/08/633896408.db2.gz SDMPGQCMJWZEPL-UHFFFAOYSA-N -1 3 249.270 0.714 20 0 BCADHM Cc1nc(N[C@@H]2CCC(=O)N(C)C2)cc(=O)[n-]1 ZINC000162719232 634302331 /nfs/dbraw/zinc/30/23/31/634302331.db2.gz SHCBMLZEVRARGP-MRVPVSSYSA-N -1 3 236.275 0.523 20 0 BCADHM O=C(C[C@H]1CCCOC1)[N-]OC[C@H]1CCOC1 ZINC000194319660 634312386 /nfs/dbraw/zinc/31/23/86/634312386.db2.gz RNAVAXJINUJDQQ-MNOVXSKESA-N -1 3 243.303 0.887 20 0 BCADHM Cc1nc(N[C@@H](C)C(=O)NC(C)C)cc(=O)[n-]1 ZINC000162766925 634347562 /nfs/dbraw/zinc/34/75/62/634347562.db2.gz AUFVBWHUICHRER-ZETCQYMHSA-N -1 3 238.291 0.816 20 0 BCADHM CCN(CC)C(=O)CNc1cc(=O)[n-]c(C)n1 ZINC000162782092 634362787 /nfs/dbraw/zinc/36/27/87/634362787.db2.gz FVNGZIIKOPTLKG-UHFFFAOYSA-N -1 3 238.291 0.771 20 0 BCADHM Cc1nc(N2CCC[C@H](C(N)=O)C2)cc(=O)[n-]1 ZINC000162795549 634373715 /nfs/dbraw/zinc/37/37/15/634373715.db2.gz FTLHJNDLEDKOPQ-QMMMGPOBSA-N -1 3 236.275 0.192 20 0 BCADHM O=c1cc(NC[C@H]2CCCNC2=O)nc[n-]1 ZINC000894171705 635737719 /nfs/dbraw/zinc/73/77/19/635737719.db2.gz KWACSDCHGVVCHN-SSDOTTSWSA-N -1 3 222.248 0.120 20 0 BCADHM Cc1nc(NC[C@H]2CCCNC2=O)cc(=O)[n-]1 ZINC000894171480 635738573 /nfs/dbraw/zinc/73/85/73/635738573.db2.gz JNYHXBCOBLDPKM-MRVPVSSYSA-N -1 3 236.275 0.429 20 0 BCADHM O=C(CC1(O)CCC1)[N-]OCc1ccccn1 ZINC000909544512 636239399 /nfs/dbraw/zinc/23/93/99/636239399.db2.gz PMJNUOZLXHDUAD-UHFFFAOYSA-N -1 3 236.271 0.935 20 0 BCADHM CC(C)[C@H](C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])N(C)C ZINC000909650550 636372975 /nfs/dbraw/zinc/37/29/75/636372975.db2.gz ILIFRYMSUSBFJZ-KXUCPTDWSA-N -1 3 244.335 0.798 20 0 BCADHM CNC(=O)C[C@@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000322514439 636869276 /nfs/dbraw/zinc/86/92/76/636869276.db2.gz JURAHAMHDDIRCF-SCSAIBSYSA-N -1 3 244.188 0.528 20 0 BCADHM CCC(=O)NC1CN(C(=O)c2ccccc2[O-])C1 ZINC000990010730 636909123 /nfs/dbraw/zinc/90/91/23/636909123.db2.gz JIWIRGNZSJESBL-UHFFFAOYSA-N -1 3 248.282 0.743 20 0 BCADHM O=C(NCc1cc(Cl)ccn1)c1cn[n-]n1 ZINC000344689211 636986932 /nfs/dbraw/zinc/98/69/32/636986932.db2.gz LXLYJLDWLTVSIL-UHFFFAOYSA-N -1 3 237.650 0.783 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907156859 638314742 /nfs/dbraw/zinc/31/47/42/638314742.db2.gz RLJAZNMCGAOZQZ-PFZYVWIYSA-N -1 3 232.239 0.373 20 0 BCADHM C/C=C/[C@@H](O)C(=O)Nc1nc(C)ccc1[O-] ZINC000907829877 638481196 /nfs/dbraw/zinc/48/11/96/638481196.db2.gz WQCHKLACLFEGCJ-CDAZIORVSA-N -1 3 222.244 0.971 20 0 BCADHM CSCCO[N-]C(=O)CC1COC1 ZINC000907894339 638503448 /nfs/dbraw/zinc/50/34/48/638503448.db2.gz DZVUFPMSMXBSRB-UHFFFAOYSA-N -1 3 205.279 0.434 20 0 BCADHM COCCCO[N-]C(=O)CC1(O)CCOCC1 ZINC000908182682 638594734 /nfs/dbraw/zinc/59/47/34/638594734.db2.gz OODUNFUQXDWSQK-UHFFFAOYSA-N -1 3 247.291 0.002 20 0 BCADHM NC(=O)CCC(=O)[N-]OC/C=C/Cl ZINC000908314920 638635840 /nfs/dbraw/zinc/63/58/40/638635840.db2.gz XEXCNIWCHOSUQI-DAFODLJHSA-N -1 3 206.629 0.052 20 0 BCADHM O=S(=O)([N-]CC[C@H](O)C1CC1)c1ccco1 ZINC000908303270 638649871 /nfs/dbraw/zinc/64/98/71/638649871.db2.gz MTBWFHMYCXYLKS-VIFPVBQESA-N -1 3 245.300 0.719 20 0 BCADHM CS(C)(=O)=NS(=O)(=O)[N-]C/C=C/Cl ZINC000908452772 638741687 /nfs/dbraw/zinc/74/16/87/638741687.db2.gz NNCKQQVMTXGJSR-ONEGZZNKSA-N -1 3 246.741 0.301 20 0 BCADHM CCN(CCC(=O)[O-])C(=O)Cc1c[nH]cn1 ZINC000908858240 639085982 /nfs/dbraw/zinc/08/59/82/639085982.db2.gz KOOVQDARXHTSFK-UHFFFAOYSA-N -1 3 225.248 0.275 20 0 BCADHM CC(C)N(CC(=O)[O-])C(=O)Cc1c[nH]cn1 ZINC000908914129 639090637 /nfs/dbraw/zinc/09/06/37/639090637.db2.gz PWZQDQNJGXFRJY-UHFFFAOYSA-N -1 3 225.248 0.274 20 0 BCADHM CC[C@H](C(=O)N[C@](C)(CC)C(=O)[O-])N(C)C ZINC000908926448 639102944 /nfs/dbraw/zinc/10/29/44/639102944.db2.gz QDVPMBCSIUGCPA-LDYMZIIASA-N -1 3 230.308 0.696 20 0 BCADHM CC[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C(=O)[O-] ZINC000909122472 639150787 /nfs/dbraw/zinc/15/07/87/639150787.db2.gz KBZMRLSQXKPZLN-ZJUUUORDSA-N -1 3 242.319 0.839 20 0 BCADHM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000909304492 639199593 /nfs/dbraw/zinc/19/95/93/639199593.db2.gz TWDKNXLUHDHPGD-NSHDSACASA-N -1 3 237.259 0.275 20 0 BCADHM CCC[C@@H](CNC(=O)[C@@H](CC)N(C)C)C(=O)[O-] ZINC000909813003 639227891 /nfs/dbraw/zinc/22/78/91/639227891.db2.gz HSBPRMAOISSQRZ-VHSXEESVSA-N -1 3 244.335 0.944 20 0 BCADHM CCC[C@@H](CNC(=O)CN(C)CCC)C(=O)[O-] ZINC000909813199 639228044 /nfs/dbraw/zinc/22/80/44/639228044.db2.gz IOWXELZOZVVLJF-JTQLQIEISA-N -1 3 244.335 0.945 20 0 BCADHM CN(C)C1(C(=O)N2CC(C)(C(=O)[O-])C2)CCC1 ZINC000910061584 639359639 /nfs/dbraw/zinc/35/96/39/639359639.db2.gz ZDYWYBXESHXNFM-UHFFFAOYSA-N -1 3 240.303 0.404 20 0 BCADHM C[C@H]1[C@H](C(=O)[O-])CCN1c1ccnc(CO)c1 ZINC000910316667 639411106 /nfs/dbraw/zinc/41/11/06/639411106.db2.gz UPGZUYWYRXFFOA-GZMMTYOYSA-N -1 3 236.271 0.873 20 0 BCADHM CN(CCCC(=O)[O-])c1ccncc1CO ZINC000910411984 639439783 /nfs/dbraw/zinc/43/97/83/639439783.db2.gz ZBDSNJGFEAONDL-UHFFFAOYSA-N -1 3 224.260 0.875 20 0 BCADHM CCn1cc(C(=O)[N-]c2nnc(C)s2)nn1 ZINC000930374748 639737128 /nfs/dbraw/zinc/73/71/28/639737128.db2.gz XWRXECHUFGPYGD-UHFFFAOYSA-N -1 3 238.276 0.710 20 0 BCADHM CC(C)=C(C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000912469312 640075111 /nfs/dbraw/zinc/07/51/11/640075111.db2.gz CHTIYKBENGXBRT-JTQLQIEISA-N -1 3 237.303 0.971 20 0 BCADHM C[C@H]1CC[C@H](C)N1CC(=O)N(C)c1nnn[n-]1 ZINC000912617549 640124412 /nfs/dbraw/zinc/12/44/12/640124412.db2.gz FYRMCCXQAKUMBH-YUMQZZPRSA-N -1 3 238.295 0.035 20 0 BCADHM C[C@H]1CC[C@H](C)N1CC(=O)N(C)c1nn[n-]n1 ZINC000912617549 640124422 /nfs/dbraw/zinc/12/44/22/640124422.db2.gz FYRMCCXQAKUMBH-YUMQZZPRSA-N -1 3 238.295 0.035 20 0 BCADHM CC(=O)CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931311086 640148502 /nfs/dbraw/zinc/14/85/02/640148502.db2.gz FEADUWVSXLEOKG-UHFFFAOYSA-N -1 3 207.233 0.395 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cnns1)C2 ZINC000931313950 640150900 /nfs/dbraw/zinc/15/09/00/640150900.db2.gz SISYUFVPBFIPNQ-UHFFFAOYSA-N -1 3 249.299 0.858 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CC[S@@](C)=O)C2 ZINC000931313750 640151432 /nfs/dbraw/zinc/15/14/32/640151432.db2.gz OHMNMGJPXHAZNC-MRXNPFEDSA-N -1 3 241.316 0.185 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ncnn1C)C2 ZINC000931319018 640155630 /nfs/dbraw/zinc/15/56/30/640155630.db2.gz RSDZJPYBDGIZPU-UHFFFAOYSA-N -1 3 246.274 0.135 20 0 BCADHM Cc1nc(C(=O)[N-]c2nnn(C(C)C)n2)co1 ZINC000913487594 640377077 /nfs/dbraw/zinc/37/70/77/640377077.db2.gz VAUCYJRKXXABJX-UHFFFAOYSA-N -1 3 236.235 0.803 20 0 BCADHM CC(C)CO[N-]C(=O)CCCNC(=O)C1CC1 ZINC000156579662 640467775 /nfs/dbraw/zinc/46/77/75/640467775.db2.gz MKSFGPIBNAGBQO-UHFFFAOYSA-N -1 3 242.319 0.997 20 0 BCADHM C[C@@H](Cn1ccnc1)Nc1cc(=O)[n-]cn1 ZINC000165232731 640550654 /nfs/dbraw/zinc/55/06/54/640550654.db2.gz RJNUUNKUBBBMKW-QMMMGPOBSA-N -1 3 219.248 0.467 20 0 BCADHM C[C@@H]1COC[C@@H]1NCc1cc(=O)n2[n-]ccc2n1 ZINC000932489747 640554567 /nfs/dbraw/zinc/55/45/67/640554567.db2.gz SDYHMIICIIJAHR-SCZZXKLOSA-N -1 3 248.286 0.147 20 0 BCADHM Cc1nc(NC[C@H](C)CCO)cc(=O)[n-]1 ZINC000165301008 640554636 /nfs/dbraw/zinc/55/46/36/640554636.db2.gz YXUZHQMMYAYOOO-SSDOTTSWSA-N -1 3 211.265 0.921 20 0 BCADHM Cc1nc(N[C@H](CO)C(C)C)cc(=O)[n-]1 ZINC000165303909 640554793 /nfs/dbraw/zinc/55/47/93/640554793.db2.gz FGHAGABSAIEFPY-MRVPVSSYSA-N -1 3 211.265 0.919 20 0 BCADHM Cc1nc(NCC[S@@](C)=O)cc(=O)[n-]1 ZINC000165349420 640561201 /nfs/dbraw/zinc/56/12/01/640561201.db2.gz FBUIPMNRMITJQA-AWEZNQCLSA-N -1 3 215.278 0.281 20 0 BCADHM Cc1nc(N[C@@H](C)C[S@](C)=O)cc(=O)[n-]1 ZINC000165329813 640561322 /nfs/dbraw/zinc/56/13/22/640561322.db2.gz UIKBCFVJRLXQAP-WDDATRMLSA-N -1 3 229.305 0.670 20 0 BCADHM CCN(CC)C(=O)CNc1cc(=O)[n-]cn1 ZINC000165327747 640562456 /nfs/dbraw/zinc/56/24/56/640562456.db2.gz BIKWYACRHGHMKY-UHFFFAOYSA-N -1 3 224.264 0.050 20 0 BCADHM C[C@@H](CC[S@@](C)=O)Nc1cc(=O)[n-]cn1 ZINC000165363281 640563638 /nfs/dbraw/zinc/56/36/38/640563638.db2.gz MUKIAQHFKFTDKW-ZIDLFYJRSA-N -1 3 229.305 0.339 20 0 BCADHM CC1(C)CN(c2cc(=O)[n-]cn2)CCO1 ZINC000165390918 640570704 /nfs/dbraw/zinc/57/07/04/640570704.db2.gz KFHAHETUQIJUJH-UHFFFAOYSA-N -1 3 209.249 0.385 20 0 BCADHM C[C@H]1CN(c2cc(=O)[n-]cn2)CCCO1 ZINC000165414512 640574975 /nfs/dbraw/zinc/57/49/75/640574975.db2.gz VURNPFOVUDKBQU-QMMMGPOBSA-N -1 3 209.249 0.385 20 0 BCADHM CC[S@@](=O)CC[N-]C(=O)C(F)(F)C(F)F ZINC000226642802 640785662 /nfs/dbraw/zinc/78/56/62/640785662.db2.gz TYKIBGXLRZMDEQ-OAHLLOKOSA-N -1 3 249.229 0.772 20 0 BCADHM O=C([N-]C[C@@H]1CCC(=O)N1)C(F)(F)C(F)F ZINC000226643257 640785917 /nfs/dbraw/zinc/78/59/17/640785917.db2.gz HQIVOYIEPNFEHK-BYPYZUCNSA-N -1 3 242.172 0.282 20 0 BCADHM Cc1nc(NC[C@@]2(O)CCOC2)cc(=O)[n-]1 ZINC000227171619 640817165 /nfs/dbraw/zinc/81/71/65/640817165.db2.gz KTVRXEIJULLACY-JTQLQIEISA-N -1 3 225.248 0.054 20 0 BCADHM CCC[C@@H](CCO)CNc1cc(=O)[n-]cn1 ZINC000227454752 640835125 /nfs/dbraw/zinc/83/51/25/640835125.db2.gz MBSXTCDMEAWZRD-VIFPVBQESA-N -1 3 225.292 0.981 20 0 BCADHM CS[C@H](CO)[C@H](C)Nc1cc(=O)[n-]cn1 ZINC000228324106 640869688 /nfs/dbraw/zinc/86/96/88/640869688.db2.gz YRBVCGOGHPWZFG-NKWVEPMBSA-N -1 3 229.305 0.294 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CCCOC2)n[n-]1 ZINC000228787635 640896332 /nfs/dbraw/zinc/89/63/32/640896332.db2.gz RKVSMURZJPDMHL-ZETCQYMHSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CCCOC2)[n-]1 ZINC000228787628 640896269 /nfs/dbraw/zinc/89/62/69/640896269.db2.gz RKVSMURZJPDMHL-SSDOTTSWSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CCCOC2)n[n-]1 ZINC000228787628 640896270 /nfs/dbraw/zinc/89/62/70/640896270.db2.gz RKVSMURZJPDMHL-SSDOTTSWSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CCCOC2)n1 ZINC000228787628 640896273 /nfs/dbraw/zinc/89/62/73/640896273.db2.gz RKVSMURZJPDMHL-SSDOTTSWSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CCCOC2)[n-]1 ZINC000228787635 640896328 /nfs/dbraw/zinc/89/63/28/640896328.db2.gz RKVSMURZJPDMHL-ZETCQYMHSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CCCOC2)n1 ZINC000228787635 640896336 /nfs/dbraw/zinc/89/63/36/640896336.db2.gz RKVSMURZJPDMHL-ZETCQYMHSA-N -1 3 240.263 0.569 20 0 BCADHM CCNC(=O)c1nnc2ccccc2c1[O-] ZINC000171760701 641010904 /nfs/dbraw/zinc/01/09/04/641010904.db2.gz YPIIYJXQIITLGB-UHFFFAOYSA-N -1 3 217.228 0.673 20 0 BCADHM COC[C@@H](O)CCNc1cc(=O)[n-]c(C)n1 ZINC000230145947 641030914 /nfs/dbraw/zinc/03/09/14/641030914.db2.gz JDVXKDIDWCORQV-QMMMGPOBSA-N -1 3 227.264 0.300 20 0 BCADHM CC[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000230441325 641055113 /nfs/dbraw/zinc/05/51/13/641055113.db2.gz AYBHSEDLJBXEMO-UHFFFAOYSA-N -1 3 209.658 0.361 20 0 BCADHM O=C1NC[C@@H](COc2ccc3c([O-])coc3c2)O1 ZINC000062805325 641090560 /nfs/dbraw/zinc/09/05/60/641090560.db2.gz RSWNEIAEGADLLV-QMMMGPOBSA-N -1 3 249.222 0.749 20 0 BCADHM COCCO[N-]C(=O)CCc1cc(C)on1 ZINC000934172787 641095279 /nfs/dbraw/zinc/09/52/79/641095279.db2.gz UVOHBOMQIDHTGD-UHFFFAOYSA-N -1 3 228.248 0.610 20 0 BCADHM C[C@@H](Cc1cccnc1)NCc1n[nH]c(=O)[n-]1 ZINC000934233443 641110439 /nfs/dbraw/zinc/11/04/39/641110439.db2.gz JMQYLIVRAOSPLW-QMMMGPOBSA-N -1 3 233.275 0.626 20 0 BCADHM C[C@H](Cc1cccnc1)NCc1nc(=O)n(C)[n-]1 ZINC000934235483 641111907 /nfs/dbraw/zinc/11/19/07/641111907.db2.gz WIQRICLEXPMNQU-SECBINFHSA-N -1 3 247.302 0.224 20 0 BCADHM CCOc1nnc(NC(=O)CC(C)(C)OC)[n-]1 ZINC000230942502 641118660 /nfs/dbraw/zinc/11/86/60/641118660.db2.gz WLABJNMXUHVAOC-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nc(NC(=O)CC(C)(C)OC)n[n-]1 ZINC000230942502 641118663 /nfs/dbraw/zinc/11/86/63/641118663.db2.gz WLABJNMXUHVAOC-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1n[n-]c(NC(=O)CC(C)(C)OC)n1 ZINC000230942502 641118666 /nfs/dbraw/zinc/11/86/66/641118666.db2.gz WLABJNMXUHVAOC-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM CS[C@@H]1CC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000231553208 641180295 /nfs/dbraw/zinc/18/02/95/641180295.db2.gz JVLDBPZJUFFAJI-NKWVEPMBSA-N -1 3 226.305 0.819 20 0 BCADHM CCN(C)C(=O)[C@@H](C)Nc1cc(=O)[n-]cn1 ZINC000231867673 641211338 /nfs/dbraw/zinc/21/13/38/641211338.db2.gz VSMBNSZLBCUZLY-SSDOTTSWSA-N -1 3 224.264 0.049 20 0 BCADHM Cc1noc(CCNc2cc(=O)[n-]cn2)n1 ZINC000231900441 641216540 /nfs/dbraw/zinc/21/65/40/641216540.db2.gz RZFIDLQPWXXQJS-UHFFFAOYSA-N -1 3 221.220 0.116 20 0 BCADHM CSCC(C)(C)NCc1nc(=O)n(C)[n-]1 ZINC000934668440 641240546 /nfs/dbraw/zinc/24/05/46/641240546.db2.gz VWHGXHDHQQGODI-UHFFFAOYSA-N -1 3 230.337 0.340 20 0 BCADHM CCOC1CC(CC(=O)[N-]OCCOC)C1 ZINC000232163055 641250499 /nfs/dbraw/zinc/25/04/99/641250499.db2.gz LGIMKFPRDYKXMZ-UHFFFAOYSA-N -1 3 231.292 0.886 20 0 BCADHM O=C(NCCN1CCC1)c1cccc(F)c1[O-] ZINC000935045359 641324430 /nfs/dbraw/zinc/32/44/30/641324430.db2.gz IIOLUGGEHUUKEO-UHFFFAOYSA-N -1 3 238.262 0.967 20 0 BCADHM CC1(CC(=O)[N-]OC[C@@H]2CCOC2)COC1 ZINC000935591828 641434707 /nfs/dbraw/zinc/43/47/07/641434707.db2.gz CERXHBUTVPQKAZ-SECBINFHSA-N -1 3 229.276 0.497 20 0 BCADHM CC1(CC(=O)[N-]OC[C@H]2CCOC2)COC1 ZINC000935591830 641435596 /nfs/dbraw/zinc/43/55/96/641435596.db2.gz CERXHBUTVPQKAZ-VIFPVBQESA-N -1 3 229.276 0.497 20 0 BCADHM COCCCO[N-]C(=O)CCc1cc(C)on1 ZINC000935965961 641508398 /nfs/dbraw/zinc/50/83/98/641508398.db2.gz LBETYTXQPAKNDH-UHFFFAOYSA-N -1 3 242.275 1.000 20 0 BCADHM CNC(=O)c1cccc(CCC(=O)[N-]OC)c1 ZINC000155415000 641568419 /nfs/dbraw/zinc/56/84/19/641568419.db2.gz ZHGOWUWBHAHYRN-UHFFFAOYSA-N -1 3 236.271 0.656 20 0 BCADHM CC[C@@H](C(=O)[N-]OC[C@H]1CCOC1)N(C)C ZINC000188337818 641753457 /nfs/dbraw/zinc/75/34/57/641753457.db2.gz ANVBYLSOSUCALV-UWVGGRQHSA-N -1 3 230.308 0.411 20 0 BCADHM CO[C@@H](C)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189243912 641794396 /nfs/dbraw/zinc/79/43/96/641794396.db2.gz XKCYDRBXAJGRQO-DTWKUNHWSA-N -1 3 217.265 0.496 20 0 BCADHM O=C(C[C@H]1CCCO1)[N-]OC[C@H]1CCOC1 ZINC000189235371 641794835 /nfs/dbraw/zinc/79/48/35/641794835.db2.gz WFCPPXOXDAZQDM-VHSXEESVSA-N -1 3 229.276 0.640 20 0 BCADHM CC1=NO[C@@H](CSCCc2nnn[n-]2)C1 ZINC000917858540 642135611 /nfs/dbraw/zinc/13/56/11/642135611.db2.gz HJECTTNYIGWOAI-SSDOTTSWSA-N -1 3 227.293 0.640 20 0 BCADHM CC1=NO[C@@H](CSCCc2nn[n-]n2)C1 ZINC000917858540 642135613 /nfs/dbraw/zinc/13/56/13/642135613.db2.gz HJECTTNYIGWOAI-SSDOTTSWSA-N -1 3 227.293 0.640 20 0 BCADHM COC(=O)/C=C(/C)CSCCc1nnn[n-]1 ZINC000917858731 642136848 /nfs/dbraw/zinc/13/68/48/642136848.db2.gz KGXWFZBAKHOBJN-ALCCZGGFSA-N -1 3 242.304 0.595 20 0 BCADHM COC(=O)/C=C(/C)CSCCc1nn[n-]n1 ZINC000917858731 642136852 /nfs/dbraw/zinc/13/68/52/642136852.db2.gz KGXWFZBAKHOBJN-ALCCZGGFSA-N -1 3 242.304 0.595 20 0 BCADHM CSCCO[N-]C(=O)[C@H](C)N(C)C ZINC000308158264 642467028 /nfs/dbraw/zinc/46/70/28/642467028.db2.gz CEEFMHSHUACABG-ZETCQYMHSA-N -1 3 206.311 0.347 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCCCN1CC ZINC000170900289 642833338 /nfs/dbraw/zinc/83/33/38/642833338.db2.gz OGEDIIREBCBSBC-VIFPVBQESA-N -1 3 200.282 0.929 20 0 BCADHM COc1nnc(NC(=O)C2=CCCCO2)[n-]1 ZINC000183011168 643077751 /nfs/dbraw/zinc/07/77/51/643077751.db2.gz WOMHBLHOIGDYTP-UHFFFAOYSA-N -1 3 224.220 0.446 20 0 BCADHM COc1nc(NC(=O)C2=CCCCO2)n[n-]1 ZINC000183011168 643077758 /nfs/dbraw/zinc/07/77/58/643077758.db2.gz WOMHBLHOIGDYTP-UHFFFAOYSA-N -1 3 224.220 0.446 20 0 BCADHM COc1n[n-]c(NC(=O)C2=CCCCO2)n1 ZINC000183011168 643077766 /nfs/dbraw/zinc/07/77/66/643077766.db2.gz WOMHBLHOIGDYTP-UHFFFAOYSA-N -1 3 224.220 0.446 20 0 BCADHM CCOCCO[N-]C(=O)Cc1ccoc1 ZINC000184766675 643236090 /nfs/dbraw/zinc/23/60/90/643236090.db2.gz ORSYHCVNYHGCEM-UHFFFAOYSA-N -1 3 213.233 0.906 20 0 BCADHM CCOCCO[N-]C(=O)C[C@@H]1CCCO1 ZINC000184796374 643237995 /nfs/dbraw/zinc/23/79/95/643237995.db2.gz FUZLUCFJKDBYEK-VIFPVBQESA-N -1 3 217.265 0.640 20 0 BCADHM CCOCCO[N-]C(=O)C[C@@H](C)OC ZINC000184800100 643239587 /nfs/dbraw/zinc/23/95/87/643239587.db2.gz ZQKVZOIVJZMZON-MRVPVSSYSA-N -1 3 205.254 0.496 20 0 BCADHM Cc1n[nH]cc1C(=O)[N-]NC(=O)c1ccoc1C ZINC000075468976 643251666 /nfs/dbraw/zinc/25/16/66/643251666.db2.gz AWZGRYJXVKTZFO-UHFFFAOYSA-N -1 3 248.242 0.694 20 0 BCADHM O=c1[n-]c(CN2CCCCCCC2)n[nH]1 ZINC000091515913 643328487 /nfs/dbraw/zinc/32/84/87/643328487.db2.gz IXKACFGINFRXBM-UHFFFAOYSA-N -1 3 210.281 0.864 20 0 BCADHM C#C[C@@H](C)NC(=O)NN=c1ccc(Cl)n[n-]1 ZINC000186114841 643447032 /nfs/dbraw/zinc/44/70/32/643447032.db2.gz NYDXBZIZVQIZGQ-ZCFIWIBFSA-N -1 3 239.666 0.778 20 0 BCADHM O=c1cc(NC[C@H]2CC[C@H](O)C2)nc[n-]1 ZINC000227668948 643646450 /nfs/dbraw/zinc/64/64/50/643646450.db2.gz RRXCWNGFTLJBIL-YUMQZZPRSA-N -1 3 209.249 0.343 20 0 BCADHM CCO[N-]C(=O)CNCc1cnn(CCF)c1 ZINC000922222335 643908629 /nfs/dbraw/zinc/90/86/29/643908629.db2.gz QCUWPKQEJGEWNC-UHFFFAOYSA-N -1 3 244.270 0.010 20 0 BCADHM CC[C@H](C)[C@H](OC(=O)c1cnn[n-]1)C(=O)OC ZINC000922731111 644080637 /nfs/dbraw/zinc/08/06/37/644080637.db2.gz LJHFRCNABKTYKL-XPUUQOCRSA-N -1 3 241.247 0.549 20 0 BCADHM CC[C@H](C)[C@H](OC(=O)c1c[n-]nn1)C(=O)OC ZINC000922731111 644080646 /nfs/dbraw/zinc/08/06/46/644080646.db2.gz LJHFRCNABKTYKL-XPUUQOCRSA-N -1 3 241.247 0.549 20 0 BCADHM CC(=O)NCCCCCOC(=O)c1cnn[n-]1 ZINC000922732392 644082720 /nfs/dbraw/zinc/08/27/20/644082720.db2.gz ZBLOFWVZPVINLV-UHFFFAOYSA-N -1 3 240.263 0.268 20 0 BCADHM CC(=O)NCCCCCOC(=O)c1c[n-]nn1 ZINC000922732392 644082721 /nfs/dbraw/zinc/08/27/21/644082721.db2.gz ZBLOFWVZPVINLV-UHFFFAOYSA-N -1 3 240.263 0.268 20 0 BCADHM CO[N-]C(=O)CNCc1cccc(OC)c1F ZINC000922827161 644103008 /nfs/dbraw/zinc/10/30/08/644103008.db2.gz GTPMWGLUUXFYJO-UHFFFAOYSA-N -1 3 242.250 0.602 20 0 BCADHM CO[N-]C(=O)CNCc1cc2cccnc2o1 ZINC000922828436 644104372 /nfs/dbraw/zinc/10/43/72/644104372.db2.gz VXRNNVDRBRJGBQ-UHFFFAOYSA-N -1 3 235.243 0.595 20 0 BCADHM CCc1ccc(CNCC(=O)[N-]OC)o1 ZINC000922829174 644105529 /nfs/dbraw/zinc/10/55/29/644105529.db2.gz FAOBTFQQNOJPBN-UHFFFAOYSA-N -1 3 212.249 0.609 20 0 BCADHM COc1nnc(NC(=O)C[C@@H]2CCCOC2)[n-]1 ZINC000193736440 644277914 /nfs/dbraw/zinc/27/79/14/644277914.db2.gz PBXZUINZMADTDX-ZETCQYMHSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nc(NC(=O)C[C@@H]2CCCOC2)n[n-]1 ZINC000193736440 644277921 /nfs/dbraw/zinc/27/79/21/644277921.db2.gz PBXZUINZMADTDX-ZETCQYMHSA-N -1 3 240.263 0.569 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@@H]2CCCOC2)n1 ZINC000193736440 644277927 /nfs/dbraw/zinc/27/79/27/644277927.db2.gz PBXZUINZMADTDX-ZETCQYMHSA-N -1 3 240.263 0.569 20 0 BCADHM CC(=O)[N-]OCC(=O)N(C)CC(F)(F)F ZINC000084489680 644424956 /nfs/dbraw/zinc/42/49/56/644424956.db2.gz VNHZZVFORTVPCW-UHFFFAOYSA-N -1 3 228.170 0.075 20 0 BCADHM NC(=O)CO[N-]C(=O)CCC1CCCC1 ZINC000089464711 644552795 /nfs/dbraw/zinc/55/27/95/644552795.db2.gz IUSUBORNZWEYAC-UHFFFAOYSA-N -1 3 214.265 0.490 20 0 BCADHM O=c1[n-]c(CN2C[C@@H]3CC=CC[C@@H]3C2)n[nH]1 ZINC000091581868 644632093 /nfs/dbraw/zinc/63/20/93/644632093.db2.gz ZWMKTFWCAVJUHT-DTORHVGOSA-N -1 3 220.276 0.496 20 0 BCADHM CCc1onc(C)c1NC([O-])=NOCC(N)=O ZINC000757783043 644632669 /nfs/dbraw/zinc/63/26/69/644632669.db2.gz PQJIPXSRGNDYPN-UHFFFAOYSA-N -1 3 242.235 0.084 20 0 BCADHM CCc1onc(C)c1NC(=O)[N-]OCC(N)=O ZINC000757783043 644632673 /nfs/dbraw/zinc/63/26/73/644632673.db2.gz PQJIPXSRGNDYPN-UHFFFAOYSA-N -1 3 242.235 0.084 20 0 BCADHM O=C(NCc1ncccc1[O-])C(F)F ZINC000792609559 644799112 /nfs/dbraw/zinc/79/91/12/644799112.db2.gz CCJQHLNTFBHOLF-UHFFFAOYSA-N -1 3 202.160 0.669 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](N)CC1CC1 ZINC000304390476 644900931 /nfs/dbraw/zinc/90/09/31/644900931.db2.gz SWTREDMTQJVJLH-IUCAKERBSA-N -1 3 228.292 0.435 20 0 BCADHM Cn1ncc(COC(=O)c2ccc([O-])cc2)n1 ZINC000811032474 644909882 /nfs/dbraw/zinc/90/98/82/644909882.db2.gz AKOCMJKSVSJIHZ-UHFFFAOYSA-N -1 3 233.227 0.878 20 0 BCADHM C[C@H](O)C[C@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000304557660 644916182 /nfs/dbraw/zinc/91/61/82/644916182.db2.gz NFMKYGJXAHUJQX-DTWKUNHWSA-N -1 3 223.276 0.922 20 0 BCADHM O=C(CCc1nnc[nH]1)[N-]OCC1CC1 ZINC000817358421 644975443 /nfs/dbraw/zinc/97/54/43/644975443.db2.gz QPTWOZDJVOCYSN-UHFFFAOYSA-N -1 3 210.237 0.195 20 0 BCADHM O=C([N-]OCC1CC1)[C@@H]1CCc2nncn2C1 ZINC000817371957 644976485 /nfs/dbraw/zinc/97/64/85/644976485.db2.gz DGEPGZMMKMYLNH-SECBINFHSA-N -1 3 236.275 0.298 20 0 BCADHM NC(=O)CCCCC(=O)[N-]OCCC1CC1 ZINC000817412699 644979502 /nfs/dbraw/zinc/97/95/02/644979502.db2.gz FVJOMQPMYBBJHX-UHFFFAOYSA-N -1 3 228.292 0.880 20 0 BCADHM CC[C@@H](O)CC(=O)[N-]OCc1cccnc1 ZINC000857473808 645572378 /nfs/dbraw/zinc/57/23/78/645572378.db2.gz FFXLJOZMTHLPBT-SNVBAGLBSA-N -1 3 224.260 0.790 20 0 BCADHM CC(C)O[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000857522150 645589667 /nfs/dbraw/zinc/58/96/67/645589667.db2.gz CPYCXCNSUDBDIH-UHFFFAOYSA-N -1 3 242.275 0.372 20 0 BCADHM CC(C)O[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000857523140 645593226 /nfs/dbraw/zinc/59/32/26/645593226.db2.gz YKFMPCATVJRXKC-UHFFFAOYSA-N -1 3 249.332 0.658 20 0 BCADHM CC1(Cc2nc(-c3cc(=O)[n-]cn3)no2)COC1 ZINC000924107862 645980010 /nfs/dbraw/zinc/98/00/10/645980010.db2.gz AECSYNUTYVEAAY-UHFFFAOYSA-N -1 3 248.242 0.811 20 0 BCADHM C[C@H]1CCN(c2cc(=O)[n-]cn2)CC[S@]1=O ZINC000893488784 711729406 /nfs/dbraw/zinc/72/94/06/711729406.db2.gz XGDIPZDZUFCGNQ-ZKANADHPSA-N -1 3 241.316 0.530 20 0 BCADHM C[S@@](=O)CCNC(=O)c1ccc(O)cc1[O-] ZINC000227614564 711759069 /nfs/dbraw/zinc/75/90/69/711759069.db2.gz ORYLOAJVWIVYEG-MRXNPFEDSA-N -1 3 243.284 0.206 20 0 BCADHM C[C@H](C(=O)[N-]OCc1ccccn1)N(C)C ZINC000909546806 711782840 /nfs/dbraw/zinc/78/28/40/711782840.db2.gz QTBFWFJOXMXIJE-SECBINFHSA-N -1 3 223.276 0.580 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CCO[C@H]2C)[n-]1 ZINC000228777781 711836598 /nfs/dbraw/zinc/83/65/98/711836598.db2.gz GGDMMRPEBLZBOP-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CCO[C@H]2C)n[n-]1 ZINC000228777781 711836599 /nfs/dbraw/zinc/83/65/99/711836599.db2.gz GGDMMRPEBLZBOP-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CCO[C@H]2C)n1 ZINC000228777781 711836600 /nfs/dbraw/zinc/83/66/00/711836600.db2.gz GGDMMRPEBLZBOP-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM CCOC(=O)CN(C)Cc1nc(C)cc(=O)[n-]1 ZINC000700493284 711994608 /nfs/dbraw/zinc/99/46/08/711994608.db2.gz QOWSSKREDUTZIR-UHFFFAOYSA-N -1 3 239.275 0.486 20 0 BCADHM O=C(NC1CSC1)c1ccc(O)cc1[O-] ZINC000702349612 712046381 /nfs/dbraw/zinc/04/63/81/712046381.db2.gz ZSJWUCPQTYQZPC-UHFFFAOYSA-N -1 3 225.269 0.943 20 0 BCADHM Cc1nc(N[C@@H]2COCC[C@H]2O)cc(=O)[n-]1 ZINC000710878754 712260532 /nfs/dbraw/zinc/26/05/32/712260532.db2.gz KSQGQMAWYHTVLE-HTQZYQBOSA-N -1 3 225.248 0.052 20 0 BCADHM CO[C@@H]1CN(CCOC2CC2)[C@](C)(C(=O)[O-])C1 ZINC000711750912 712324252 /nfs/dbraw/zinc/32/42/52/712324252.db2.gz BWMGPZPNDIQLIG-JQWIXIFHSA-N -1 3 243.303 0.729 20 0 BCADHM COCCO[N-]C(=O)CCc1ccncc1 ZINC000135131228 712647614 /nfs/dbraw/zinc/64/76/14/712647614.db2.gz FVWITAJLUFZRNO-UHFFFAOYSA-N -1 3 224.260 0.708 20 0 BCADHM Cc1nc(NCC2([S@@](C)=O)CC2)cc(=O)[n-]1 ZINC000380071604 712685026 /nfs/dbraw/zinc/68/50/26/712685026.db2.gz NFKWWZRAIPGZFB-MRXNPFEDSA-N -1 3 241.316 0.814 20 0 BCADHM COCCCNC(=O)c1ccc(N)cc1[O-] ZINC000381675983 710670641 /nfs/dbraw/zinc/67/06/41/710670641.db2.gz XJJKRUFBLDTNJX-UHFFFAOYSA-N -1 3 224.260 0.741 20 0 BCADHM CCOc1nnc(NC(=O)C(C)(C)F)[n-]1 ZINC000389584449 711081726 /nfs/dbraw/zinc/08/17/26/711081726.db2.gz IULPOUYXSVBAPR-UHFFFAOYSA-N -1 3 216.216 0.890 20 0 BCADHM CCOc1nc(NC(=O)C(C)(C)F)n[n-]1 ZINC000389584449 711081728 /nfs/dbraw/zinc/08/17/28/711081728.db2.gz IULPOUYXSVBAPR-UHFFFAOYSA-N -1 3 216.216 0.890 20 0 BCADHM CCOc1n[n-]c(NC(=O)C(C)(C)F)n1 ZINC000389584449 711081730 /nfs/dbraw/zinc/08/17/30/711081730.db2.gz IULPOUYXSVBAPR-UHFFFAOYSA-N -1 3 216.216 0.890 20 0 BCADHM O=c1cc(N[C@H]2CCCCNC2=O)nc[n-]1 ZINC000391521976 711138575 /nfs/dbraw/zinc/13/85/75/711138575.db2.gz BKMVKFGMOWDALX-ZETCQYMHSA-N -1 3 222.248 0.263 20 0 BCADHM Cc1nc(N2CCOC[C@H](C)C2)cc(=O)[n-]1 ZINC000399529700 711431707 /nfs/dbraw/zinc/43/17/07/711431707.db2.gz RKQHOCHXSIPNKE-MRVPVSSYSA-N -1 3 223.276 0.963 20 0 BCADHM Cc1nc(N[C@@H]2CC23CC(O)C3)cc(=O)[n-]1 ZINC000724969500 711638784 /nfs/dbraw/zinc/63/87/84/711638784.db2.gz AOUBHGXIIDWWPY-JKDSDDBFSA-N -1 3 221.260 0.816 20 0 BCADHM Cc1nc(N2C[C@@H](CO)OC[C@@H]2C)cc(=O)[n-]1 ZINC000164633854 711682431 /nfs/dbraw/zinc/68/24/31/711682431.db2.gz LUOJVDSPEGCFTQ-CBAPKCEASA-N -1 3 239.275 0.077 20 0 BCADHM COC[C@@H](NCc1ccccc1OC)C(=O)[O-] ZINC000232428040 711760582 /nfs/dbraw/zinc/76/05/82/711760582.db2.gz VYKCHIFDHDWWGR-SNVBAGLBSA-N -1 3 239.271 0.884 20 0 BCADHM O=c1cc([C@H]2CCN(c3ncccn3)C2)[n-][nH]1 ZINC000894372618 711770981 /nfs/dbraw/zinc/77/09/81/711770981.db2.gz LPBFQAVUNJICPB-QMMMGPOBSA-N -1 3 231.259 0.899 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CCCNC(=O)C1 ZINC000706671914 712151044 /nfs/dbraw/zinc/15/10/44/712151044.db2.gz HRVBGLBEMFKGPB-UHFFFAOYSA-N -1 3 248.282 0.663 20 0 BCADHM Cc1nc(N(C)[C@@H]2CCN(C)C2=O)cc(=O)[n-]1 ZINC000708512816 712211613 /nfs/dbraw/zinc/21/16/13/712211613.db2.gz WGOUQBGUFZKKNF-MRVPVSSYSA-N -1 3 236.275 0.158 20 0 BCADHM CC[C@H](CO)N(C)c1cc(=O)[n-]c(C)n1 ZINC000379068212 712369700 /nfs/dbraw/zinc/36/97/00/712369700.db2.gz XSZUBDLIOXFYAN-MRVPVSSYSA-N -1 3 211.265 0.698 20 0 BCADHM CCN1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000712294589 712395154 /nfs/dbraw/zinc/39/51/54/712395154.db2.gz UCYQFBOMBCANFK-VIFPVBQESA-N -1 3 235.287 0.611 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC(C)C)nn1 ZINC000712751408 712449115 /nfs/dbraw/zinc/44/91/15/712449115.db2.gz FSZLIAVCNOHFAR-UHFFFAOYSA-N -1 3 229.305 0.719 20 0 BCADHM COCCO[N-]C(=O)C[C@@H](O)CC(C)(C)C ZINC000813472293 712588163 /nfs/dbraw/zinc/58/81/63/712588163.db2.gz RZQMXTOXZDMNHH-SECBINFHSA-N -1 3 233.308 0.868 20 0 BCADHM COc1ccc(C(=O)NC2CC(=O)C2)c([O-])c1 ZINC000717099492 712631032 /nfs/dbraw/zinc/63/10/32/712631032.db2.gz YDFGWZFUZBQNQG-UHFFFAOYSA-N -1 3 235.239 0.862 20 0 BCADHM COCCO[N-]C(=O)CCc1cccnc1 ZINC000135131199 712647604 /nfs/dbraw/zinc/64/76/04/712647604.db2.gz XAJWPQLFJFSSSL-UHFFFAOYSA-N -1 3 224.260 0.708 20 0 BCADHM COCCO[N-]C(=O)C[C@H]1CCCCO1 ZINC000135163631 712648028 /nfs/dbraw/zinc/64/80/28/712648028.db2.gz PCHUSDNTWKRJRN-SECBINFHSA-N -1 3 217.265 0.640 20 0 BCADHM O=C(NC[C@H]1C[C@H](O)C1)c1c([O-])cccc1O ZINC000720960807 712883711 /nfs/dbraw/zinc/88/37/11/712883711.db2.gz FZPFGYIZMDKARO-ZKCHVHJHSA-N -1 3 237.255 0.599 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H]1CC[C@H](C)O1 ZINC000408081551 343975941 /nfs/dbraw/zinc/97/59/41/343975941.db2.gz DWCSDBCDTSPHLV-YUMQZZPRSA-N -1 3 224.264 0.804 20 0 BCADHM CC(C)c1ccc(C(=O)NCC(N)=O)c([O-])c1 ZINC000299227124 398149435 /nfs/dbraw/zinc/14/94/35/398149435.db2.gz OWRNMBTXEIGPFZ-UHFFFAOYSA-N -1 3 236.271 0.731 20 0 BCADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CNCCO1 ZINC000649373563 398183047 /nfs/dbraw/zinc/18/30/47/398183047.db2.gz ABYCZRPAHSETIC-JTQLQIEISA-N -1 3 240.234 0.458 20 0 BCADHM CCC(CC)C(=O)Nc1[n-]nnc1C(=O)NC ZINC000297810382 168340547 /nfs/dbraw/zinc/34/05/47/168340547.db2.gz TWHFPDRQJLHKHK-UHFFFAOYSA-N -1 3 239.279 0.539 20 0 BCADHM CCC(CC)C(=O)Nc1nn[n-]c1C(=O)NC ZINC000297810382 168340549 /nfs/dbraw/zinc/34/05/49/168340549.db2.gz TWHFPDRQJLHKHK-UHFFFAOYSA-N -1 3 239.279 0.539 20 0 BCADHM CCC(CC)C(=O)Nc1n[n-]nc1C(=O)NC ZINC000297810382 168340552 /nfs/dbraw/zinc/34/05/52/168340552.db2.gz TWHFPDRQJLHKHK-UHFFFAOYSA-N -1 3 239.279 0.539 20 0 BCADHM COCCS(=O)(=O)[N-]c1cccnc1C ZINC000072913645 343983517 /nfs/dbraw/zinc/98/35/17/343983517.db2.gz MJTPFKCRBUXWLL-UHFFFAOYSA-N -1 3 230.289 0.778 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)SC[C@H](O)CO)n1 ZINC000121790828 178202584 /nfs/dbraw/zinc/20/25/84/178202584.db2.gz QXOYAVSPVKEHNZ-HTQZYQBOSA-N -1 3 244.316 0.638 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)C[C@H](C)O)n1 ZINC000248743004 178204247 /nfs/dbraw/zinc/20/42/47/178204247.db2.gz MLFCMTDKFAJUOC-DTWKUNHWSA-N -1 3 225.292 0.864 20 0 BCADHM COc1ccc([O-])c(C(=O)Nc2ncnn2C)c1 ZINC000151051346 398237485 /nfs/dbraw/zinc/23/74/85/398237485.db2.gz AYEVVZCEOMQZKI-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM CC[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)OC ZINC000336715493 398240585 /nfs/dbraw/zinc/24/05/85/398240585.db2.gz WSXKNLAXTCROJC-ZETCQYMHSA-N -1 3 233.293 0.113 20 0 BCADHM O=C(NCCn1cccn1)c1c([O-])cccc1O ZINC000220230463 259308654 /nfs/dbraw/zinc/30/86/54/259308654.db2.gz MGQOQPYQCIZDDF-UHFFFAOYSA-N -1 3 247.254 0.724 20 0 BCADHM Cc1cc(C(=O)NCCn2cnnc2)ccc1[O-] ZINC000381315579 398253110 /nfs/dbraw/zinc/25/31/10/398253110.db2.gz VAHONYAEBVTHDN-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000649460244 398261236 /nfs/dbraw/zinc/26/12/36/398261236.db2.gz RHZLCTPOIROSLN-IVZWLZJFSA-N -1 3 240.303 0.308 20 0 BCADHM O=C(c1ccccc1[O-])N1CCN2CC[C@H]1C2 ZINC000381729525 398270670 /nfs/dbraw/zinc/27/06/70/398270670.db2.gz WQRNWAIMCGNCAF-JTQLQIEISA-N -1 3 232.283 0.922 20 0 BCADHM C[C@H](CNC(=O)c1cncc([O-])c1)N(C)C ZINC000082651000 398277075 /nfs/dbraw/zinc/27/70/75/398277075.db2.gz XFPINCBERVFRAO-MRVPVSSYSA-N -1 3 223.276 0.467 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CO[C@@H](C)C2)[n-]1 ZINC000162243022 349618544 /nfs/dbraw/zinc/61/85/44/349618544.db2.gz XLOFZTJYSMTXJS-WDSKDSINSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CO[C@@H](C)C2)n[n-]1 ZINC000162243022 349618547 /nfs/dbraw/zinc/61/85/47/349618547.db2.gz XLOFZTJYSMTXJS-WDSKDSINSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CO[C@@H](C)C2)n1 ZINC000162243022 349618552 /nfs/dbraw/zinc/61/85/52/349618552.db2.gz XLOFZTJYSMTXJS-WDSKDSINSA-N -1 3 226.236 0.177 20 0 BCADHM O=C(CCc1cn[nH]c1)NCc1ncccc1[O-] ZINC000629999229 361884138 /nfs/dbraw/zinc/88/41/38/361884138.db2.gz KMJSULUPFASJFJ-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CN(CC(=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000032014392 342797105 /nfs/dbraw/zinc/79/71/05/342797105.db2.gz NMIDVBFZRJRVDF-UHFFFAOYSA-N -1 3 223.228 0.932 20 0 BCADHM COC[C@H](C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000624645795 342808152 /nfs/dbraw/zinc/80/81/52/342808152.db2.gz QTHJYJSMTDJJHU-SSDOTTSWSA-N -1 3 225.248 0.195 20 0 BCADHM CN1CC[C@H](NC(=O)c2ccccc2[O-])CC1=O ZINC000188729598 538979680 /nfs/dbraw/zinc/97/96/80/538979680.db2.gz SBGHUAZXASCVHJ-VIFPVBQESA-N -1 3 248.282 0.743 20 0 BCADHM CN1CC[C@@H](NC(=O)c2ccccc2[O-])CC1=O ZINC000188729621 538980020 /nfs/dbraw/zinc/98/00/20/538980020.db2.gz SBGHUAZXASCVHJ-SECBINFHSA-N -1 3 248.282 0.743 20 0 BCADHM CC[C@@](C)(CNC(=O)c1cc(=O)[n-]cn1)OC ZINC000627622166 342836371 /nfs/dbraw/zinc/83/63/71/342836371.db2.gz ZNXCVPNNIDKGAO-NSHDSACASA-N -1 3 239.275 0.727 20 0 BCADHM O=C(N[C@@H]1COCC[C@H]1O)c1ccccc1[O-] ZINC000634461006 361980262 /nfs/dbraw/zinc/98/02/62/361980262.db2.gz JOSYFUGYCZYKPS-MWLCHTKSSA-N -1 3 237.255 0.272 20 0 BCADHM O=c1[n-]c(CNC2(CO)CCCCC2)n[nH]1 ZINC000390782071 539027286 /nfs/dbraw/zinc/02/72/86/539027286.db2.gz KSFOZNFVIHKAOH-UHFFFAOYSA-N -1 3 226.280 0.295 20 0 BCADHM CCc1nc(=NC[C@@](C)(N)COC)s[n-]1 ZINC000389647121 539016945 /nfs/dbraw/zinc/01/69/45/539016945.db2.gz UBVDVSIBWHOBQQ-SECBINFHSA-N -1 3 230.337 0.298 20 0 BCADHM Cn1cc(CNC(=O)c2cccc([O-])c2)nn1 ZINC000389957288 539019012 /nfs/dbraw/zinc/01/90/12/539019012.db2.gz UTNAICLSPVQEOF-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM C[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000625038549 342844772 /nfs/dbraw/zinc/84/47/72/342844772.db2.gz BAOSIPSNSSWQKX-SSDOTTSWSA-N -1 3 207.233 0.664 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000625046249 342845994 /nfs/dbraw/zinc/84/59/94/342845994.db2.gz GZXSJTDDHLPWOP-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H]1CO ZINC000042434203 362000578 /nfs/dbraw/zinc/00/05/78/362000578.db2.gz SJYYKJYKCGKAPV-SECBINFHSA-N -1 3 246.270 0.555 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H]1C[C@H]1C ZINC000519485464 398305606 /nfs/dbraw/zinc/30/56/06/398305606.db2.gz BPCVTEHAXRGBPL-FKTZTGRPSA-N -1 3 237.303 0.661 20 0 BCADHM O=C(C1CC=CC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329433561 398309852 /nfs/dbraw/zinc/30/98/52/398309852.db2.gz KYGJCKPDRHLXLC-VIFPVBQESA-N -1 3 249.270 0.556 20 0 BCADHM CN1CC=C(CNc2ccc(C(=O)[O-])cn2)CC1 ZINC000392262703 398316933 /nfs/dbraw/zinc/31/69/33/398316933.db2.gz JJRKAFPSQSLETL-UHFFFAOYSA-N -1 3 247.298 0.876 20 0 BCADHM O=c1ccc([N-]S(=O)(=O)c2ccoc2)n[nH]1 ZINC000351354912 136245341 /nfs/dbraw/zinc/24/53/41/136245341.db2.gz XSGNAFHSNYEVHB-UHFFFAOYSA-N -1 3 241.228 0.576 20 0 BCADHM C[C@@H](O)C[N-]S(=O)(=O)c1ccccc1F ZINC000035119341 342884026 /nfs/dbraw/zinc/88/40/26/342884026.db2.gz JJNGAXHTUNIACI-SSDOTTSWSA-N -1 3 233.264 0.485 20 0 BCADHM CCS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC ZINC000035160055 342884375 /nfs/dbraw/zinc/88/43/75/342884375.db2.gz XDKYNSVRPYOJBB-QMMMGPOBSA-N -1 3 237.321 0.513 20 0 BCADHM CC1(C)C[C@H](NC(=O)c2cc(=O)[n-]cn2)CO1 ZINC000628038279 342890467 /nfs/dbraw/zinc/89/04/67/342890467.db2.gz ZWSPDBKSOHOEAB-ZETCQYMHSA-N -1 3 237.259 0.480 20 0 BCADHM C[C@@H](CO)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000352607727 398322310 /nfs/dbraw/zinc/32/23/10/398322310.db2.gz YXGVPCVSNFMNGS-QMMMGPOBSA-N -1 3 246.270 0.582 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCOCC1 ZINC000015784284 342900850 /nfs/dbraw/zinc/90/08/50/342900850.db2.gz XHEXBHNHXPUNQC-UHFFFAOYSA-N -1 3 223.228 0.570 20 0 BCADHM CO[C@@H]1CCCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000625223770 342921140 /nfs/dbraw/zinc/92/11/40/342921140.db2.gz PVKSUVRLBMGSDD-MRVPVSSYSA-N -1 3 237.259 0.433 20 0 BCADHM CN(C)CCn1[n-]c(=O)c2c(c1=O)CCCC2 ZINC000634589049 342935257 /nfs/dbraw/zinc/93/52/57/342935257.db2.gz MNUQZLKKUPXYSL-UHFFFAOYSA-N -1 3 237.303 0.389 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)[C@H](O)C2)n1 ZINC000351818982 136256030 /nfs/dbraw/zinc/25/60/30/136256030.db2.gz JOVIIEGJZFXCRV-PSASIEDQSA-N -1 3 237.303 0.557 20 0 BCADHM CC(C)CS(=O)(=O)NCc1ncccc1[O-] ZINC000360024082 187216305 /nfs/dbraw/zinc/21/63/05/187216305.db2.gz NDKXXCGOEKAZDF-UHFFFAOYSA-N -1 3 244.316 0.863 20 0 BCADHM C[C@@H](CO)n1ncc2cc([O-])ccc2c1=O ZINC000634617806 343015802 /nfs/dbraw/zinc/01/58/02/343015802.db2.gz YJULIUGUQSWNMH-ZETCQYMHSA-N -1 3 220.228 0.655 20 0 BCADHM O=c1[n-]nc(CN2CCC[C@H]3COC[C@H]32)s1 ZINC000367462790 187221474 /nfs/dbraw/zinc/22/14/74/187221474.db2.gz HVBZTIZIQSDDME-JGVFFNPUSA-N -1 3 241.316 0.855 20 0 BCADHM C[C@H](NC(=O)[C@H]1NCCCC1(C)C)C(=O)[O-] ZINC000235517284 343048337 /nfs/dbraw/zinc/04/83/37/343048337.db2.gz RLWOKDYITVEDAA-JGVFFNPUSA-N -1 3 228.292 0.354 20 0 BCADHM Cn1cnnc1[N-]C(=O)c1nccs1 ZINC000683571033 488198742 /nfs/dbraw/zinc/19/87/42/488198742.db2.gz LFIWCVKTQXPJBY-UHFFFAOYSA-N -1 3 209.234 0.524 20 0 BCADHM CCn1c(=O)[n-]nc1S(=O)(=O)CC1CCC1 ZINC000634534655 362028779 /nfs/dbraw/zinc/02/87/79/362028779.db2.gz DEWMYSKLIDERSJ-UHFFFAOYSA-N -1 3 245.304 0.577 20 0 BCADHM CCN(CC(=O)[O-])C[C@H](O)C(F)(F)F ZINC000082681320 362100338 /nfs/dbraw/zinc/10/03/38/362100338.db2.gz ZVTCGGBQVMGTKZ-YFKPBYRVSA-N -1 3 215.171 0.316 20 0 BCADHM C[C@@H](CN1CCCCC1)NC(=O)[C@H](C)C(=O)[O-] ZINC000122056626 343158183 /nfs/dbraw/zinc/15/81/83/343158183.db2.gz KSZUXDPANZXUFH-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM CCNC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000050924689 343222002 /nfs/dbraw/zinc/22/20/02/343222002.db2.gz VVACDOKVPXGOEY-SNVBAGLBSA-N -1 3 242.319 0.842 20 0 BCADHM CC(C)(CO)NC(=O)c1cccc([O-])c1 ZINC000035103010 187245090 /nfs/dbraw/zinc/24/50/90/187245090.db2.gz SBRPTHOHINYODE-UHFFFAOYSA-N -1 3 209.245 0.893 20 0 BCADHM O=C(N[C@H]1CCCOC1)c1cc(=O)[n-]cn1 ZINC000625323995 343232582 /nfs/dbraw/zinc/23/25/82/343232582.db2.gz RPTLEDMPCURYAR-ZETCQYMHSA-N -1 3 223.232 0.091 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](O)C1 ZINC000035187039 343288574 /nfs/dbraw/zinc/28/85/74/343288574.db2.gz CMTSUQPEMYVFCS-SECBINFHSA-N -1 3 237.255 0.695 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCC(=O)NC2CC2)c1 ZINC000035206754 343289875 /nfs/dbraw/zinc/28/98/75/343289875.db2.gz MPEGDMGGUURHEW-UHFFFAOYSA-N -1 3 248.282 0.709 20 0 BCADHM CCc1nc([N-]C(=O)c2ccc(C(N)=O)o2)n[nH]1 ZINC000479149728 529699431 /nfs/dbraw/zinc/69/94/31/529699431.db2.gz AEJJOGIKVNUOGR-UHFFFAOYSA-N -1 3 249.230 0.311 20 0 BCADHM CCC(C)(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947719 343294323 /nfs/dbraw/zinc/29/43/23/343294323.db2.gz ZOHBZPQKITVEOQ-UHFFFAOYSA-N -1 3 217.294 0.877 20 0 BCADHM C[C@H](CC1CC1)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069949076 343294892 /nfs/dbraw/zinc/29/48/92/343294892.db2.gz JSDMXRQRYVUPPC-SSDOTTSWSA-N -1 3 229.305 0.877 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C2CCC2)c1 ZINC000335637743 136302903 /nfs/dbraw/zinc/30/29/03/136302903.db2.gz DGGXAAQSPUBDFY-UHFFFAOYSA-N -1 3 215.278 0.251 20 0 BCADHM Cn1[n-]c(CN2CCCC2(C)C)nc1=O ZINC000335673245 136317410 /nfs/dbraw/zinc/31/74/10/136317410.db2.gz YMANYYYWHLFCQO-UHFFFAOYSA-N -1 3 210.281 0.483 20 0 BCADHM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1ccco1 ZINC000275492175 187338612 /nfs/dbraw/zinc/33/86/12/187338612.db2.gz PJLBANBWWPGJAO-HPOULIHZSA-N -1 3 245.300 0.885 20 0 BCADHM O=C(Nc1ccc(F)cn1)c1cnn[n-]1 ZINC000082419261 343440670 /nfs/dbraw/zinc/44/06/70/343440670.db2.gz UYHNPGUNOVSWSE-UHFFFAOYSA-N -1 3 207.168 0.591 20 0 BCADHM O=C(Nc1ccc(F)cn1)c1c[n-]nn1 ZINC000082419261 343440673 /nfs/dbraw/zinc/44/06/73/343440673.db2.gz UYHNPGUNOVSWSE-UHFFFAOYSA-N -1 3 207.168 0.591 20 0 BCADHM O=C(Nc1ccc(F)cn1)c1cn[n-]n1 ZINC000082419261 343440674 /nfs/dbraw/zinc/44/06/74/343440674.db2.gz UYHNPGUNOVSWSE-UHFFFAOYSA-N -1 3 207.168 0.591 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000042272770 343432853 /nfs/dbraw/zinc/43/28/53/343432853.db2.gz PXKNCBJEQCWLEI-QMMMGPOBSA-N -1 3 237.255 0.992 20 0 BCADHM CCc1cc(=O)[n-]c(Cn2cc(C(C)=O)nn2)n1 ZINC000641147148 362239475 /nfs/dbraw/zinc/23/94/75/362239475.db2.gz WUURYCQVZPQRHQ-UHFFFAOYSA-N -1 3 247.258 0.587 20 0 BCADHM c1c[nH]c(CCN=c2ncnc3[nH][n-]cc2-3)c1 ZINC000351873893 136371033 /nfs/dbraw/zinc/37/10/33/136371033.db2.gz FKYVIYPDMJEGEF-UHFFFAOYSA-N -1 3 228.259 0.709 20 0 BCADHM CC(=O)c1cn([C@H](C)c2nc(C)cc(=O)[n-]2)nn1 ZINC000641145634 362237970 /nfs/dbraw/zinc/23/79/70/362237970.db2.gz LVKQXMOMVPWGCB-SSDOTTSWSA-N -1 3 247.258 0.894 20 0 BCADHM C[C@@H]1CCC[C@H]1CNC(=O)c1c[n-]nn1 ZINC000230709674 343520217 /nfs/dbraw/zinc/52/02/17/343520217.db2.gz ODBFHBDMKSLHEH-SFYZADRCSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@@H]1CCC[C@H]1CNC(=O)c1cnn[n-]1 ZINC000230709674 343520218 /nfs/dbraw/zinc/52/02/18/343520218.db2.gz ODBFHBDMKSLHEH-SFYZADRCSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@@H]1CCC[C@H]1CNC(=O)c1cn[n-]n1 ZINC000230709674 343520219 /nfs/dbraw/zinc/52/02/19/343520219.db2.gz ODBFHBDMKSLHEH-SFYZADRCSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1c[n-]nn1 ZINC000230709667 343520235 /nfs/dbraw/zinc/52/02/35/343520235.db2.gz ODBFHBDMKSLHEH-HTQZYQBOSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC000230709667 343520236 /nfs/dbraw/zinc/52/02/36/343520236.db2.gz ODBFHBDMKSLHEH-HTQZYQBOSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1cn[n-]n1 ZINC000230709667 343520237 /nfs/dbraw/zinc/52/02/37/343520237.db2.gz ODBFHBDMKSLHEH-HTQZYQBOSA-N -1 3 208.265 0.971 20 0 BCADHM CCCCCNC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000046464177 343545573 /nfs/dbraw/zinc/54/55/73/343545573.db2.gz JJCFWPRCABDPTJ-QMMMGPOBSA-N -1 3 241.291 0.281 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCCOCCO)c1 ZINC000048151073 343571850 /nfs/dbraw/zinc/57/18/50/343571850.db2.gz JYHTXWVMZJCTGX-UHFFFAOYSA-N -1 3 239.271 0.439 20 0 BCADHM Cc1ccc(C(=O)NCCn2ncnn2)c([O-])c1 ZINC000379964533 365767544 /nfs/dbraw/zinc/76/75/44/365767544.db2.gz LKAJBMYBRYCLBY-UHFFFAOYSA-N -1 3 247.258 0.117 20 0 BCADHM COCCOCCN(C)Cc1ncccc1[O-] ZINC000577024703 365773126 /nfs/dbraw/zinc/77/31/26/365773126.db2.gz GZZDIYDFVDGPNL-UHFFFAOYSA-N -1 3 240.303 0.882 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CCC(=O)N2)c1 ZINC000071030751 343590943 /nfs/dbraw/zinc/59/09/43/343590943.db2.gz JCBKPXLYUFVLMF-VIFPVBQESA-N -1 3 248.282 0.709 20 0 BCADHM CC(=O)N(C)CC(=O)Nc1ncccc1[O-] ZINC000049136921 343593937 /nfs/dbraw/zinc/59/39/37/343593937.db2.gz IPUDYUDNEPPUBO-UHFFFAOYSA-N -1 3 223.232 0.204 20 0 BCADHM CN(CC1CN(C)C1)C(=O)c1ncccc1[O-] ZINC000618191967 343578658 /nfs/dbraw/zinc/57/86/58/343578658.db2.gz ZDOPYMZVWWAONO-UHFFFAOYSA-N -1 3 235.287 0.421 20 0 BCADHM COc1ccc([O-])c(C(=O)N2CCOCC2)c1 ZINC000051770386 187271113 /nfs/dbraw/zinc/27/11/13/187271113.db2.gz CQQBESKOQXWUHQ-UHFFFAOYSA-N -1 3 237.255 0.873 20 0 BCADHM CC(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000048168206 343717510 /nfs/dbraw/zinc/71/75/10/343717510.db2.gz YLQWDUTWUZNFBU-LBPRGKRZSA-N -1 3 247.254 0.700 20 0 BCADHM CC[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000584208709 343774065 /nfs/dbraw/zinc/77/40/65/343774065.db2.gz KAHXDTCDYZEPFD-KXUCPTDWSA-N -1 3 242.319 0.839 20 0 BCADHM CC[C@@H]1CN(CCOCC(=O)[O-])CCS1 ZINC000584118923 343760983 /nfs/dbraw/zinc/76/09/83/343760983.db2.gz QGZWYSDAYBYWQJ-SECBINFHSA-N -1 3 233.333 0.915 20 0 BCADHM CCC(F)(F)C[N-]S(=O)(=O)CC ZINC000625454645 343856840 /nfs/dbraw/zinc/85/68/40/343856840.db2.gz CIDRKOCIPCSQMT-UHFFFAOYSA-N -1 3 201.238 0.971 20 0 BCADHM CC(C)NS(=O)(=O)[N-]CC(C)(F)F ZINC000393564820 343893544 /nfs/dbraw/zinc/89/35/44/343893544.db2.gz QAIRLWRKLKNKSC-UHFFFAOYSA-N -1 3 216.253 0.474 20 0 BCADHM C[C@H]1CCN1C(=O)Cc1cncc([O-])c1 ZINC000641245138 362309755 /nfs/dbraw/zinc/30/97/55/362309755.db2.gz SYISKGJNBGRKBV-QMMMGPOBSA-N -1 3 206.245 0.951 20 0 BCADHM C[C@@H]1CCN1C(=O)Cc1cncc([O-])c1 ZINC000641245135 362309805 /nfs/dbraw/zinc/30/98/05/362309805.db2.gz SYISKGJNBGRKBV-MRVPVSSYSA-N -1 3 206.245 0.951 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)/C=C/C1CC1 ZINC000493015990 529954090 /nfs/dbraw/zinc/95/40/90/529954090.db2.gz GKGBYOYUDNSBCF-SNAWJCMRSA-N -1 3 235.247 0.069 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C=CC1CC1 ZINC000493015990 529954092 /nfs/dbraw/zinc/95/40/92/529954092.db2.gz GKGBYOYUDNSBCF-SNAWJCMRSA-N -1 3 235.247 0.069 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C=CC1CC1 ZINC000493015990 529954093 /nfs/dbraw/zinc/95/40/93/529954093.db2.gz GKGBYOYUDNSBCF-SNAWJCMRSA-N -1 3 235.247 0.069 20 0 BCADHM COc1cc[n-]c(=NNC(=O)C=CC2CC2)n1 ZINC000079503444 344115346 /nfs/dbraw/zinc/11/53/46/344115346.db2.gz FTGXHFYMPUGCNV-SNAWJCMRSA-N -1 3 234.259 0.895 20 0 BCADHM COC[C@@H](NC(=O)c1cc(=O)[n-]cn1)C(C)C ZINC000625797392 344078690 /nfs/dbraw/zinc/07/86/90/344078690.db2.gz QRWRYEVIVQJOCE-SECBINFHSA-N -1 3 239.275 0.583 20 0 BCADHM Cc1[nH]nc2ncc([N-]S(C)(=O)=O)cc12 ZINC000130225123 344124187 /nfs/dbraw/zinc/12/41/87/344124187.db2.gz XAGDYUDXBYNWHW-UHFFFAOYSA-N -1 3 226.261 0.638 20 0 BCADHM C[C@@H](O)C[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000228170457 259374257 /nfs/dbraw/zinc/37/42/57/259374257.db2.gz WKQYFKVJQPZKND-HTQZYQBOSA-N -1 3 239.271 0.987 20 0 BCADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000131998920 344244624 /nfs/dbraw/zinc/24/46/24/344244624.db2.gz YQJKLDRMZYPYDV-IUCAKERBSA-N -1 3 243.332 0.887 20 0 BCADHM CC(=O)N[C@@H]1CCN(Cc2ncccc2[O-])C1 ZINC000569376380 344248297 /nfs/dbraw/zinc/24/82/97/344248297.db2.gz WXDKIQSQVPHKIC-SNVBAGLBSA-N -1 3 235.287 0.498 20 0 BCADHM C[C@H](O)C[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000228170486 259374464 /nfs/dbraw/zinc/37/44/64/259374464.db2.gz WKQYFKVJQPZKND-YUMQZZPRSA-N -1 3 239.271 0.987 20 0 BCADHM COC(C)(C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000133004056 344310623 /nfs/dbraw/zinc/31/06/23/344310623.db2.gz GXOYXLWOJFHBKA-UHFFFAOYSA-N -1 3 233.293 0.113 20 0 BCADHM O=C(c1cccc([O-])c1)N1CCC[C@@H](O)C1 ZINC000035103316 344328525 /nfs/dbraw/zinc/32/85/25/344328525.db2.gz BIRPYMAJISKMDJ-LLVKDONJSA-N -1 3 221.256 0.989 20 0 BCADHM CC[C@H](COC)[N-]S(=O)(=O)c1ccccn1 ZINC000132339782 344420194 /nfs/dbraw/zinc/42/01/94/344420194.db2.gz DQPORBOZLLPQPQ-SECBINFHSA-N -1 3 244.316 0.785 20 0 BCADHM CC[C@@H]1C(=O)NCCN1C(=O)c1cccc([O-])c1 ZINC000106362171 344474873 /nfs/dbraw/zinc/47/48/73/344474873.db2.gz CBCVPKJVHMXXRM-LLVKDONJSA-N -1 3 248.282 0.743 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC1CCC1 ZINC000525723889 259377365 /nfs/dbraw/zinc/37/73/65/259377365.db2.gz RAYVTYFQQZCIGT-JTQLQIEISA-N -1 3 237.303 0.805 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@H]1C ZINC000625913027 344560549 /nfs/dbraw/zinc/56/05/49/344560549.db2.gz QCPLOFZVDMDCOH-HTQZYQBOSA-N -1 3 221.260 0.910 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)[C@@H]1CCOC[C@H]1C ZINC000641426197 362410732 /nfs/dbraw/zinc/41/07/32/362410732.db2.gz OKIBYCHNSQBPPT-PSASIEDQSA-N -1 3 249.332 0.310 20 0 BCADHM Cc1cncnc1Sc1n[n-]c(CO)n1 ZINC000641539326 362488946 /nfs/dbraw/zinc/48/89/46/362488946.db2.gz DDSSMOCHVSEBSP-UHFFFAOYSA-N -1 3 223.261 0.547 20 0 BCADHM O=C(N[C@@H]1CCCSC1)c1cc(=O)[n-]cn1 ZINC000625991276 344658031 /nfs/dbraw/zinc/65/80/31/344658031.db2.gz OYZVKKJSRSQXED-SSDOTTSWSA-N -1 3 239.300 0.808 20 0 BCADHM CCN1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000390017415 259379301 /nfs/dbraw/zinc/37/93/01/259379301.db2.gz VHNPNXAHYGCPOY-SECBINFHSA-N -1 3 235.287 0.611 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCCn1ncnn1 ZINC000626103803 344744508 /nfs/dbraw/zinc/74/45/08/344744508.db2.gz QLZQNIOBRJKRAF-UHFFFAOYSA-N -1 3 247.258 0.117 20 0 BCADHM CCC[C@H](O)CSCCc1nnn[n-]1 ZINC000603339789 349916394 /nfs/dbraw/zinc/91/63/94/349916394.db2.gz FHVKBRIAQGJSPF-ZETCQYMHSA-N -1 3 216.310 0.636 20 0 BCADHM CCC[C@H](O)CSCCc1nn[n-]n1 ZINC000603339789 349916397 /nfs/dbraw/zinc/91/63/97/349916397.db2.gz FHVKBRIAQGJSPF-ZETCQYMHSA-N -1 3 216.310 0.636 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C1CC1 ZINC000075940601 344788791 /nfs/dbraw/zinc/78/87/91/344788791.db2.gz NVFRGCHQEVERBG-SSDOTTSWSA-N -1 3 229.305 0.497 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000628138675 344795860 /nfs/dbraw/zinc/79/58/60/344795860.db2.gz MWGFCTLMHXHELN-BDAKNGLRSA-N -1 3 249.270 0.291 20 0 BCADHM Cc1nccn1CCSCCc1nnn[n-]1 ZINC000603341424 349919231 /nfs/dbraw/zinc/91/92/31/349919231.db2.gz ZDXHRESZVQBYDU-UHFFFAOYSA-N -1 3 238.320 0.681 20 0 BCADHM Cc1nccn1CCSCCc1nn[n-]n1 ZINC000603341424 349919234 /nfs/dbraw/zinc/91/92/34/349919234.db2.gz ZDXHRESZVQBYDU-UHFFFAOYSA-N -1 3 238.320 0.681 20 0 BCADHM Cc1nc(CSCCc2nnn[n-]2)co1 ZINC000603341736 349919393 /nfs/dbraw/zinc/91/93/93/349919393.db2.gz QHWWKWGZCWYFDR-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM Cc1nc(CSCCc2nn[n-]n2)co1 ZINC000603341736 349919394 /nfs/dbraw/zinc/91/93/94/349919394.db2.gz QHWWKWGZCWYFDR-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@H]2CC=CCC2)c1 ZINC000076306676 344800811 /nfs/dbraw/zinc/80/08/11/344800811.db2.gz YYMGNDCGCWBDNI-VIFPVBQESA-N -1 3 241.316 0.807 20 0 BCADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)C2CC2)n1 ZINC000408234650 344836148 /nfs/dbraw/zinc/83/61/48/344836148.db2.gz GWEFJHJAAVPCSC-RXMQYKEDSA-N -1 3 231.277 0.521 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCc2ncn(C)n2)c1 ZINC000091885473 178786805 /nfs/dbraw/zinc/78/68/05/178786805.db2.gz WYDGHBZABNXTQH-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM C[C@@H](O)CCNS(=O)(=O)c1ccc([O-])cc1 ZINC000425210198 192083988 /nfs/dbraw/zinc/08/39/88/192083988.db2.gz VXKXWKCBPQSKMI-MRVPVSSYSA-N -1 3 245.300 0.441 20 0 BCADHM COc1ccc([O-])c(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1 ZINC000641570612 362508044 /nfs/dbraw/zinc/50/80/44/362508044.db2.gz JQPRZWFYBUQLRE-AMIZOPFISA-N -1 3 249.266 0.608 20 0 BCADHM O=C(c1ccccc1[O-])N1C[C@@H]2C[C@]2(O)C1 ZINC000641573053 362510520 /nfs/dbraw/zinc/51/05/20/362510520.db2.gz YHZRNQOJSNZTBN-UFBFGSQYSA-N -1 3 219.240 0.599 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CC2CSC2)n1 ZINC000641612391 362544331 /nfs/dbraw/zinc/54/43/31/362544331.db2.gz IWIBIXZVNIEKKH-UHFFFAOYSA-N -1 3 247.345 0.061 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CC2CSC2)c1 ZINC000641613419 362545326 /nfs/dbraw/zinc/54/53/26/362545326.db2.gz RJXKJZRHCMSLHH-UHFFFAOYSA-N -1 3 247.345 0.061 20 0 BCADHM O=C([O-])[C@H](C1CC1)N1CCN(CC(F)F)CC1 ZINC000635015100 345220274 /nfs/dbraw/zinc/22/02/74/345220274.db2.gz CGDOEHYQPGGBOT-JTQLQIEISA-N -1 3 248.273 0.732 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCO[C@@H](C(F)F)CC1 ZINC000635018379 345222080 /nfs/dbraw/zinc/22/20/80/345222080.db2.gz GQUNHKWLWITMDD-NKWVEPMBSA-N -1 3 223.219 0.816 20 0 BCADHM CCCn1c2ccccc2nc1[N-]C(=O)C(N)=O ZINC000635478678 345388486 /nfs/dbraw/zinc/38/84/86/345388486.db2.gz VZGHCVBOSZYLHM-UHFFFAOYSA-N -1 3 246.270 0.870 20 0 BCADHM C[C@H](CCO)C[N-]S(=O)(=O)c1ccccn1 ZINC000133138081 345362582 /nfs/dbraw/zinc/36/25/82/345362582.db2.gz LJXHIRYGVDHSFW-SECBINFHSA-N -1 3 244.316 0.378 20 0 BCADHM COC[C@H](C)SCCc1nnn[n-]1 ZINC000603337250 349927809 /nfs/dbraw/zinc/92/78/09/349927809.db2.gz DKWRHBQNFAKETR-LURJTMIESA-N -1 3 202.283 0.510 20 0 BCADHM COC[C@H](C)SCCc1nn[n-]n1 ZINC000603337250 349927813 /nfs/dbraw/zinc/92/78/13/349927813.db2.gz DKWRHBQNFAKETR-LURJTMIESA-N -1 3 202.283 0.510 20 0 BCADHM CN1CCC[C@@H](SCCc2nnn[n-]2)C1=O ZINC000603337261 349928497 /nfs/dbraw/zinc/92/84/97/349928497.db2.gz DNBLPRFLDBSFHQ-SSDOTTSWSA-N -1 3 241.320 0.096 20 0 BCADHM CN1CCC[C@@H](SCCc2nn[n-]n2)C1=O ZINC000603337261 349928499 /nfs/dbraw/zinc/92/84/99/349928499.db2.gz DNBLPRFLDBSFHQ-SSDOTTSWSA-N -1 3 241.320 0.096 20 0 BCADHM CC[C@@H](C)[C@@H](O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000626120348 345508961 /nfs/dbraw/zinc/50/89/61/345508961.db2.gz AEERYOBVIDDJFK-APPZFPTMSA-N -1 3 239.275 0.319 20 0 BCADHM CC(=O)NCCCSCCc1nnn[n-]1 ZINC000603338877 349929280 /nfs/dbraw/zinc/92/92/80/349929280.db2.gz KMEZAUZOSDYPOE-UHFFFAOYSA-N -1 3 229.309 0.002 20 0 BCADHM CC(=O)NCCCSCCc1nn[n-]n1 ZINC000603338877 349929284 /nfs/dbraw/zinc/92/92/84/349929284.db2.gz KMEZAUZOSDYPOE-UHFFFAOYSA-N -1 3 229.309 0.002 20 0 BCADHM CCc1cccc(C(=O)N[C@H](C)C(N)=O)c1[O-] ZINC000081710006 345485818 /nfs/dbraw/zinc/48/58/18/345485818.db2.gz HNMMNLUIITZLLP-SSDOTTSWSA-N -1 3 236.271 0.558 20 0 BCADHM CC(=O)[N-]OCC(=O)N(C)Cc1ccco1 ZINC000180806678 187308536 /nfs/dbraw/zinc/30/85/36/187308536.db2.gz STJAHANWUMPJKZ-UHFFFAOYSA-N -1 3 226.232 0.306 20 0 BCADHM COCCCS(=O)(=O)[N-][C@H](C)C(F)F ZINC000641702298 362613059 /nfs/dbraw/zinc/61/30/59/362613059.db2.gz PPNFAZNKBUNKHC-ZCFIWIBFSA-N -1 3 231.264 0.596 20 0 BCADHM COCC[C@H](C)S(=O)(=O)[N-][C@@H](C)C(F)F ZINC000641702067 362615448 /nfs/dbraw/zinc/61/54/48/362615448.db2.gz MHNCCNBYZFFCND-BQBZGAKWSA-N -1 3 245.291 0.984 20 0 BCADHM C[C@@H](O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095202993 345683075 /nfs/dbraw/zinc/68/30/75/345683075.db2.gz UFVJESRWGNOMBF-ZCFIWIBFSA-N -1 3 233.231 0.186 20 0 BCADHM C[C@@H](O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095202993 345683076 /nfs/dbraw/zinc/68/30/76/345683076.db2.gz UFVJESRWGNOMBF-ZCFIWIBFSA-N -1 3 233.231 0.186 20 0 BCADHM CC[C@](C)(CO)NC(=O)c1cc(F)c[n-]c1=O ZINC000635739839 346041021 /nfs/dbraw/zinc/04/10/21/346041021.db2.gz MCDFVQSSRIKXHJ-LLVKDONJSA-N -1 3 242.250 0.817 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2C[C@@H](O)C2)n1 ZINC000635870183 346092344 /nfs/dbraw/zinc/09/23/44/346092344.db2.gz XBVVJHPMEWLBPW-OCAPTIKFSA-N -1 3 222.244 0.805 20 0 BCADHM C[C@H](C(=O)NCc1ncccc1[O-])N(C)C ZINC000635876434 346096019 /nfs/dbraw/zinc/09/60/19/346096019.db2.gz BWLHOGBCOYDCLP-MRVPVSSYSA-N -1 3 223.276 0.354 20 0 BCADHM CN1CCCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000635878250 346096561 /nfs/dbraw/zinc/09/65/61/346096561.db2.gz SLQMVBAMBLOIHT-NSHDSACASA-N -1 3 249.314 0.888 20 0 BCADHM COCc1nc(=NCC2(N(C)C)CC2)s[n-]1 ZINC000419002564 192097437 /nfs/dbraw/zinc/09/74/37/192097437.db2.gz CAMGTGZXCVRIAX-UHFFFAOYSA-N -1 3 242.348 0.613 20 0 BCADHM COCc1nsc(=NCC2(N(C)C)CC2)[n-]1 ZINC000419002564 192097439 /nfs/dbraw/zinc/09/74/39/192097439.db2.gz CAMGTGZXCVRIAX-UHFFFAOYSA-N -1 3 242.348 0.613 20 0 BCADHM CC1(C)[C@@H](NC(=O)c2c[n-]nn2)[C@@H]2CCO[C@@H]21 ZINC000151111589 346215582 /nfs/dbraw/zinc/21/55/82/346215582.db2.gz IXDLRFJBPLUHNC-XVYDVKMFSA-N -1 3 236.275 0.348 20 0 BCADHM CC1(C)[C@@H](NC(=O)c2cnn[n-]2)[C@@H]2CCO[C@@H]21 ZINC000151111589 346215584 /nfs/dbraw/zinc/21/55/84/346215584.db2.gz IXDLRFJBPLUHNC-XVYDVKMFSA-N -1 3 236.275 0.348 20 0 BCADHM CC1(C)[C@@H](NC(=O)c2cn[n-]n2)[C@@H]2CCO[C@@H]21 ZINC000151111589 346215586 /nfs/dbraw/zinc/21/55/86/346215586.db2.gz IXDLRFJBPLUHNC-XVYDVKMFSA-N -1 3 236.275 0.348 20 0 BCADHM Cc1cccc(C(=O)N2CC(CO)C2)c1[O-] ZINC000084986412 179006865 /nfs/dbraw/zinc/00/68/65/179006865.db2.gz NOFAHIVWFOAOOU-UHFFFAOYSA-N -1 3 221.256 0.765 20 0 BCADHM Cc1cccc(C(=O)N[C@@H]2CCC(=O)NC2)c1[O-] ZINC000110910448 179020987 /nfs/dbraw/zinc/02/09/87/179020987.db2.gz YGJZJRHJGXQEQZ-SECBINFHSA-N -1 3 248.282 0.709 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1c[nH]cn1)C2 ZINC000636284740 346377470 /nfs/dbraw/zinc/37/74/70/346377470.db2.gz OGRTZQWQMMCSNY-UHFFFAOYSA-N -1 3 245.242 0.370 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cnc[nH]1)C2 ZINC000636284740 346377471 /nfs/dbraw/zinc/37/74/71/346377471.db2.gz OGRTZQWQMMCSNY-UHFFFAOYSA-N -1 3 245.242 0.370 20 0 BCADHM CCc1nc(CNC(=O)c2ncccc2[O-])n[nH]1 ZINC000295344219 346392462 /nfs/dbraw/zinc/39/24/62/346392462.db2.gz MTRSRKWRUYAVKV-UHFFFAOYSA-N -1 3 247.258 0.398 20 0 BCADHM COCC1(CCNC(=O)c2c[n-]nn2)CC1 ZINC000580078978 346512565 /nfs/dbraw/zinc/51/25/65/346512565.db2.gz QJSHMCZAGLBGOC-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM COCC1(CCNC(=O)c2cnn[n-]2)CC1 ZINC000580078978 346512567 /nfs/dbraw/zinc/51/25/67/346512567.db2.gz QJSHMCZAGLBGOC-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM COCC1(CCNC(=O)c2cn[n-]n2)CC1 ZINC000580078978 346512570 /nfs/dbraw/zinc/51/25/70/346512570.db2.gz QJSHMCZAGLBGOC-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM Cc1cccc(F)c1S(=O)(=O)[N-]CCO ZINC000184834918 179111182 /nfs/dbraw/zinc/11/11/82/179111182.db2.gz QUEKLCLSPNPAFM-UHFFFAOYSA-N -1 3 233.264 0.405 20 0 BCADHM CCCCS(=O)(=O)[N-]CC(=O)OC(C)C ZINC000104103435 346534478 /nfs/dbraw/zinc/53/44/78/346534478.db2.gz MPWHJRVNPOZXRE-UHFFFAOYSA-N -1 3 237.321 0.658 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C2CC(C)C2)c1 ZINC000336502762 187369835 /nfs/dbraw/zinc/36/98/35/187369835.db2.gz ZRAUHPZTNUNFQK-UHFFFAOYSA-N -1 3 243.332 0.980 20 0 BCADHM CC(C)C(=O)N[C@@H]1CCCN(CC(=O)[O-])C1 ZINC000108162604 346666430 /nfs/dbraw/zinc/66/64/30/346666430.db2.gz FYTZOFLQOXJODF-SECBINFHSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@@H]1CN(CCOCC(=O)[O-])C[C@H](C)S1 ZINC000580653974 365846794 /nfs/dbraw/zinc/84/67/94/365846794.db2.gz YLLMAKTUHDNZGT-DTORHVGOSA-N -1 3 233.333 0.913 20 0 BCADHM C[C@H]1CN(CCOCC(=O)[O-])C[C@H](C)S1 ZINC000580653975 365846810 /nfs/dbraw/zinc/84/68/10/365846810.db2.gz YLLMAKTUHDNZGT-IUCAKERBSA-N -1 3 233.333 0.913 20 0 BCADHM COc1nnc(NC(=O)CCCSC)[n-]1 ZINC000179702054 346739668 /nfs/dbraw/zinc/73/96/68/346739668.db2.gz VRKBXKFPMAZIHD-UHFFFAOYSA-N -1 3 230.293 0.895 20 0 BCADHM COc1nc(NC(=O)CCCSC)n[n-]1 ZINC000179702054 346739674 /nfs/dbraw/zinc/73/96/74/346739674.db2.gz VRKBXKFPMAZIHD-UHFFFAOYSA-N -1 3 230.293 0.895 20 0 BCADHM COc1n[n-]c(NC(=O)CCCSC)n1 ZINC000179702054 346739676 /nfs/dbraw/zinc/73/96/76/346739676.db2.gz VRKBXKFPMAZIHD-UHFFFAOYSA-N -1 3 230.293 0.895 20 0 BCADHM C(Cc1nnn[n-]1)SC[C@H]1CCCO1 ZINC000095120322 347197993 /nfs/dbraw/zinc/19/79/93/347197993.db2.gz KTLBQYANPHRATC-SSDOTTSWSA-N -1 3 214.294 0.654 20 0 BCADHM C(Cc1nn[n-]n1)SC[C@H]1CCCO1 ZINC000095120322 347197995 /nfs/dbraw/zinc/19/79/95/347197995.db2.gz KTLBQYANPHRATC-SSDOTTSWSA-N -1 3 214.294 0.654 20 0 BCADHM c1[n-][nH]c2ncnc(=NCC[C@H]3CCCO3)c1-2 ZINC000641848734 362785858 /nfs/dbraw/zinc/78/58/58/362785858.db2.gz LKYZUIGCGWROIO-MRVPVSSYSA-N -1 3 233.275 0.707 20 0 BCADHM CC[C@@H](O)CNC(=O)c1csc(=O)[n-]1 ZINC000618403338 347287349 /nfs/dbraw/zinc/28/73/49/347287349.db2.gz INPXOIWHFNPEQS-RXMQYKEDSA-N -1 3 216.262 0.349 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)OC ZINC000188753681 347288580 /nfs/dbraw/zinc/28/85/80/347288580.db2.gz PLULCVYNDHHBOB-SSDOTTSWSA-N -1 3 247.272 0.510 20 0 BCADHM O=C(c1cncc([O-])c1)N1CCc2[nH]cnc2C1 ZINC000396845732 362836961 /nfs/dbraw/zinc/83/69/61/362836961.db2.gz AQGLICFKWVFEME-UHFFFAOYSA-N -1 3 244.254 0.709 20 0 BCADHM O=C(c1cncc([O-])c1)N1CCc2nc[nH]c2C1 ZINC000396845732 362836962 /nfs/dbraw/zinc/83/69/62/362836962.db2.gz AQGLICFKWVFEME-UHFFFAOYSA-N -1 3 244.254 0.709 20 0 BCADHM CCNC(=O)CNCc1nc(C)ccc1[O-] ZINC000082420348 347582367 /nfs/dbraw/zinc/58/23/67/347582367.db2.gz REKHJZVLQILSNV-UHFFFAOYSA-N -1 3 223.276 0.321 20 0 BCADHM Cc1ccccc1[C@H](O)CNC(=O)c1c[n-]nn1 ZINC000112398746 179344944 /nfs/dbraw/zinc/34/49/44/179344944.db2.gz VRCHFHPYBSOJPY-LLVKDONJSA-N -1 3 246.270 0.577 20 0 BCADHM Cc1ccccc1[C@H](O)CNC(=O)c1cnn[n-]1 ZINC000112398746 179344947 /nfs/dbraw/zinc/34/49/47/179344947.db2.gz VRCHFHPYBSOJPY-LLVKDONJSA-N -1 3 246.270 0.577 20 0 BCADHM Cc1ccccc1[C@H](O)CNC(=O)c1cn[n-]n1 ZINC000112398746 179344949 /nfs/dbraw/zinc/34/49/49/179344949.db2.gz VRCHFHPYBSOJPY-LLVKDONJSA-N -1 3 246.270 0.577 20 0 BCADHM COc1nc(NC(=O)C=C[C@@H]2CCOC2)n[n-]1 ZINC000493826925 348229712 /nfs/dbraw/zinc/22/97/12/348229712.db2.gz SCLOOXCACZGRLQ-SKRYNEFJSA-N -1 3 238.247 0.345 20 0 BCADHM COc1nnc(NC(=O)C=C[C@@H]2CCOC2)[n-]1 ZINC000493826925 348229713 /nfs/dbraw/zinc/22/97/13/348229713.db2.gz SCLOOXCACZGRLQ-SKRYNEFJSA-N -1 3 238.247 0.345 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C\[C@@H]2CCOC2)n1 ZINC000493826925 348229715 /nfs/dbraw/zinc/22/97/15/348229715.db2.gz SCLOOXCACZGRLQ-SKRYNEFJSA-N -1 3 238.247 0.345 20 0 BCADHM COc1nc(NC(=O)C=C[C@@H]2CCOC2)n[n-]1 ZINC000493826931 348230345 /nfs/dbraw/zinc/23/03/45/348230345.db2.gz SCLOOXCACZGRLQ-TYWZFMJISA-N -1 3 238.247 0.345 20 0 BCADHM COc1nnc(NC(=O)C=C[C@@H]2CCOC2)[n-]1 ZINC000493826931 348230347 /nfs/dbraw/zinc/23/03/47/348230347.db2.gz SCLOOXCACZGRLQ-TYWZFMJISA-N -1 3 238.247 0.345 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C/[C@@H]2CCOC2)n1 ZINC000493826931 348230348 /nfs/dbraw/zinc/23/03/48/348230348.db2.gz SCLOOXCACZGRLQ-TYWZFMJISA-N -1 3 238.247 0.345 20 0 BCADHM O=C([O-])c1cnccc1N1CCC[C@H](O)C1 ZINC000088109803 362903616 /nfs/dbraw/zinc/90/36/16/362903616.db2.gz OKEGDLGOTQOACL-QMMMGPOBSA-N -1 3 222.244 0.741 20 0 BCADHM CC[C@@H](C(=O)Nc1ccncc1[O-])[C@H](C)O ZINC000419862876 192147765 /nfs/dbraw/zinc/14/77/65/192147765.db2.gz BYGPEACPAZUSMV-JGVFFNPUSA-N -1 3 224.260 0.555 20 0 BCADHM CCOC(=O)c1cc(-c2ccn(C)n2)n[n-]1 ZINC000596646106 348604407 /nfs/dbraw/zinc/60/44/07/348604407.db2.gz NGMPBMRNNMNOKR-UHFFFAOYSA-N -1 3 220.232 0.987 20 0 BCADHM CCOC(=O)c1cc(-c2ccn(C)n2)[n-]n1 ZINC000596646106 348604410 /nfs/dbraw/zinc/60/44/10/348604410.db2.gz NGMPBMRNNMNOKR-UHFFFAOYSA-N -1 3 220.232 0.987 20 0 BCADHM C[C@H]1CN(Cc2ccno2)C[C@H]1C(=O)[O-] ZINC000251833314 362932564 /nfs/dbraw/zinc/93/25/64/362932564.db2.gz PSVUXXIHICFDLN-IONNQARKSA-N -1 3 210.233 0.827 20 0 BCADHM O=C1[N-]C(=O)N2CCN([C@@H]3C=CCCC3)C[C@@H]12 ZINC000540911740 348910148 /nfs/dbraw/zinc/91/01/48/348910148.db2.gz QEUALPQEJFVSHG-ZJUUUORDSA-N -1 3 235.287 0.331 20 0 BCADHM C[C@@H](NC1CC1)C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000383579042 349062546 /nfs/dbraw/zinc/06/25/46/349062546.db2.gz VQNAGGGMQJLUDO-SFYZADRCSA-N -1 3 240.303 0.591 20 0 BCADHM CCOC(=O)Cn1ncc2cc([O-])ccc2c1=O ZINC000601950600 349397184 /nfs/dbraw/zinc/39/71/84/349397184.db2.gz UGAIHBWDYRVPOV-UHFFFAOYSA-N -1 3 248.238 0.665 20 0 BCADHM CCCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000603808375 350036480 /nfs/dbraw/zinc/03/64/80/350036480.db2.gz PGFGPLFGOITXTD-SECBINFHSA-N -1 3 225.292 0.805 20 0 BCADHM COC1CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000603881198 350047516 /nfs/dbraw/zinc/04/75/16/350047516.db2.gz GKBXYCTZFGEFAR-UHFFFAOYSA-N -1 3 232.243 0.429 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C(C)(C)C)cn1C ZINC000066085943 180028004 /nfs/dbraw/zinc/02/80/04/180028004.db2.gz PZMRUDGATPZYLO-UHFFFAOYSA-N -1 3 231.321 0.805 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]CCC2CC2)cn1C ZINC000173765562 180028165 /nfs/dbraw/zinc/02/81/65/180028165.db2.gz NRONOYBCOQPIDR-UHFFFAOYSA-N -1 3 243.332 0.807 20 0 BCADHM CNS(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000306668736 490342451 /nfs/dbraw/zinc/34/24/51/490342451.db2.gz WOIUMVUFBUDCBK-RXMQYKEDSA-N -1 3 214.237 0.228 20 0 BCADHM COc1ccc(CN(C)C(C)(C)C(=O)[O-])nn1 ZINC000304299982 350156921 /nfs/dbraw/zinc/15/69/21/350156921.db2.gz OWFQUZNRJQPYJP-UHFFFAOYSA-N -1 3 239.275 0.780 20 0 BCADHM C[C@H]1CCN(C)CCN1C(=O)c1ncccc1[O-] ZINC000426825245 191046977 /nfs/dbraw/zinc/04/69/77/191046977.db2.gz ACMJKPAKKSNECM-JTQLQIEISA-N -1 3 249.314 0.953 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cncnc1 ZINC000427134195 191053677 /nfs/dbraw/zinc/05/36/77/191053677.db2.gz WXKXSTRRSCNIRK-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM COC[C@@H](C)S(=O)(=O)[N-]Cc1ncc(C)o1 ZINC000427243692 191057756 /nfs/dbraw/zinc/05/77/56/191057756.db2.gz RZVMWIPLPQLHRV-MRVPVSSYSA-N -1 3 248.304 0.437 20 0 BCADHM C[C@@H](C[N-]S(=O)(=O)c1cn(C)cn1)C1CC1 ZINC000075940934 350169095 /nfs/dbraw/zinc/16/90/95/350169095.db2.gz ORFAIYSCMZLNQE-QMMMGPOBSA-N -1 3 243.332 0.745 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCOC2)s1 ZINC000339047166 180171601 /nfs/dbraw/zinc/17/16/01/180171601.db2.gz GHXXGEOCSKZHHL-ZETCQYMHSA-N -1 3 248.329 0.519 20 0 BCADHM Cc1ncc(CNC(=O)c2c[n-]nn2)s1 ZINC000088393562 180149980 /nfs/dbraw/zinc/14/99/80/180149980.db2.gz LYGBSRMRZMXJFH-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM Cc1ncc(CNC(=O)c2cnn[n-]2)s1 ZINC000088393562 180149982 /nfs/dbraw/zinc/14/99/82/180149982.db2.gz LYGBSRMRZMXJFH-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM Cc1ncc(CNC(=O)c2cn[n-]n2)s1 ZINC000088393562 180149983 /nfs/dbraw/zinc/14/99/83/180149983.db2.gz LYGBSRMRZMXJFH-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM CC(C)(O)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000083467878 350217044 /nfs/dbraw/zinc/21/70/44/350217044.db2.gz UGGWKMMJLBSTBI-UHFFFAOYSA-N -1 3 248.279 0.270 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)CSC ZINC000580781935 350215047 /nfs/dbraw/zinc/21/50/47/350215047.db2.gz MSBNZQUOUKGKKW-UHFFFAOYSA-N -1 3 229.261 0.498 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)CSC ZINC000580781935 350215049 /nfs/dbraw/zinc/21/50/49/350215049.db2.gz MSBNZQUOUKGKKW-UHFFFAOYSA-N -1 3 229.261 0.498 20 0 BCADHM Cc1nccn1CCNC(=O)c1cncc([O-])c1 ZINC000336793943 180257749 /nfs/dbraw/zinc/25/77/49/180257749.db2.gz ZBUUTFOFRRGUJR-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM CC(C)[C@@H](C(=O)N(C)CCCC(=O)[O-])N(C)C ZINC000427744899 191090717 /nfs/dbraw/zinc/09/07/17/191090717.db2.gz MOPJYRRGAJKBEK-NSHDSACASA-N -1 3 244.335 0.896 20 0 BCADHM COc1ccncc1CN(C)[C@@H](C)C(=O)[O-] ZINC000309171425 323323339 /nfs/dbraw/zinc/32/33/39/323323339.db2.gz ANRFAKXHZZEESD-QMMMGPOBSA-N -1 3 224.260 0.995 20 0 BCADHM NC(=O)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000427937464 191102496 /nfs/dbraw/zinc/10/24/96/191102496.db2.gz YOPANQHIGGOKPJ-UHFFFAOYSA-N -1 3 226.207 0.023 20 0 BCADHM C[C@H](CO)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000035234226 358456710 /nfs/dbraw/zinc/45/67/10/358456710.db2.gz UAEYVWMPMAJXKH-MRVPVSSYSA-N -1 3 246.266 0.639 20 0 BCADHM Cc1nn(C)cc1S(=O)(=O)[N-]CC[C@H](C)F ZINC000339032533 180376934 /nfs/dbraw/zinc/37/69/34/180376934.db2.gz MQBZQRCINYVRHH-ZETCQYMHSA-N -1 3 249.311 0.755 20 0 BCADHM Cc1nn(C)cc1S(=O)(=O)[N-]CC[C@@H](C)F ZINC000339032532 180377886 /nfs/dbraw/zinc/37/78/86/180377886.db2.gz MQBZQRCINYVRHH-SSDOTTSWSA-N -1 3 249.311 0.755 20 0 BCADHM COc1nnc(NC(=O)c2ccc(C)[nH]c2=O)[n-]1 ZINC000163058327 350499185 /nfs/dbraw/zinc/49/91/85/350499185.db2.gz SWVTUHOYPXVSFN-UHFFFAOYSA-N -1 3 249.230 0.062 20 0 BCADHM COc1nc(NC(=O)c2ccc(C)[nH]c2=O)n[n-]1 ZINC000163058327 350499187 /nfs/dbraw/zinc/49/91/87/350499187.db2.gz SWVTUHOYPXVSFN-UHFFFAOYSA-N -1 3 249.230 0.062 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccc(C)[nH]c2=O)n1 ZINC000163058327 350499190 /nfs/dbraw/zinc/49/91/90/350499190.db2.gz SWVTUHOYPXVSFN-UHFFFAOYSA-N -1 3 249.230 0.062 20 0 BCADHM c1cn(-c2ncccc2-c2nnn[n-]2)cn1 ZINC000095220298 350656680 /nfs/dbraw/zinc/65/66/80/350656680.db2.gz QFLNYVLXBIHSAQ-UHFFFAOYSA-N -1 3 213.204 0.447 20 0 BCADHM c1cn(-c2ncccc2-c2nn[n-]n2)cn1 ZINC000095220298 350656682 /nfs/dbraw/zinc/65/66/82/350656682.db2.gz QFLNYVLXBIHSAQ-UHFFFAOYSA-N -1 3 213.204 0.447 20 0 BCADHM C[C@]1(O)CCCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000626321672 350969068 /nfs/dbraw/zinc/96/90/68/350969068.db2.gz NXOCWPZECYJHMN-NSHDSACASA-N -1 3 237.259 0.169 20 0 BCADHM COc1nc(NC(=O)C23CC(C2)C3)n[n-]1 ZINC000626333221 350983558 /nfs/dbraw/zinc/98/35/58/350983558.db2.gz DZEKRHQCLXJQBA-UHFFFAOYSA-N -1 3 208.221 0.552 20 0 BCADHM COc1nnc(NC(=O)C23CC(C2)C3)[n-]1 ZINC000626333221 350983559 /nfs/dbraw/zinc/98/35/59/350983559.db2.gz DZEKRHQCLXJQBA-UHFFFAOYSA-N -1 3 208.221 0.552 20 0 BCADHM COc1n[n-]c(NC(=O)C23CC(C2)C3)n1 ZINC000626333221 350983561 /nfs/dbraw/zinc/98/35/61/350983561.db2.gz DZEKRHQCLXJQBA-UHFFFAOYSA-N -1 3 208.221 0.552 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)CCO1 ZINC000626337864 350987778 /nfs/dbraw/zinc/98/77/78/350987778.db2.gz IKVAUEAACKQNQO-YUMQZZPRSA-N -1 3 237.259 0.480 20 0 BCADHM CC(C)(O)C(C)(C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626339478 350988921 /nfs/dbraw/zinc/98/89/21/350988921.db2.gz HOAMSYCPDZVQSS-UHFFFAOYSA-N -1 3 239.275 0.462 20 0 BCADHM CCOCCN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000626352676 350999449 /nfs/dbraw/zinc/99/94/49/350999449.db2.gz OLMBNMZZRSKDHO-UHFFFAOYSA-N -1 3 225.248 0.291 20 0 BCADHM Cc1ocnc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000356796819 180550457 /nfs/dbraw/zinc/55/04/57/180550457.db2.gz PDQKGHIWUQXJPO-UHFFFAOYSA-N -1 3 230.231 0.635 20 0 BCADHM CC[C@@H](OC)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000275148248 351593717 /nfs/dbraw/zinc/59/37/17/351593717.db2.gz NJGQXOONZRWVHF-ZCFIWIBFSA-N -1 3 241.247 0.560 20 0 BCADHM CC/C=C/C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000577747741 366052359 /nfs/dbraw/zinc/05/23/59/366052359.db2.gz WWFQETMVSQSTPZ-SNAWJCMRSA-N -1 3 229.305 0.665 20 0 BCADHM CC1(C)C[C@@H]([N-]C(=O)C(F)F)C(=O)O1 ZINC000279830737 351826195 /nfs/dbraw/zinc/82/61/95/351826195.db2.gz KRUQYVNJNOHVCD-SCSAIBSYSA-N -1 3 207.176 0.462 20 0 BCADHM O=c1[n-]nc(CN2CCOC3(CCC3)C2)s1 ZINC000377397111 187564457 /nfs/dbraw/zinc/56/44/57/187564457.db2.gz JHKSMENRWZSGHV-UHFFFAOYSA-N -1 3 241.316 0.999 20 0 BCADHM C[C@H]1NCCN(C(=O)c2cc(=O)[n-]cn2)[C@H]1C ZINC000638206667 352069420 /nfs/dbraw/zinc/06/94/20/352069420.db2.gz MUWSNPFNFGUBNZ-SFYZADRCSA-N -1 3 236.275 0.005 20 0 BCADHM C[C@H]1CC[C@@H](C(=O)Nc2[n-]nnc2C(N)=O)C1 ZINC000410863775 191150094 /nfs/dbraw/zinc/15/00/94/191150094.db2.gz YYLZVYYMZLUWTL-NTSWFWBYSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@H]1CC[C@@H](C(=O)Nc2nn[n-]c2C(N)=O)C1 ZINC000410863775 191150096 /nfs/dbraw/zinc/15/00/96/191150096.db2.gz YYLZVYYMZLUWTL-NTSWFWBYSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@H]1CC[C@@H](C(=O)Nc2n[n-]nc2C(N)=O)C1 ZINC000410863775 191150098 /nfs/dbraw/zinc/15/00/98/191150098.db2.gz YYLZVYYMZLUWTL-NTSWFWBYSA-N -1 3 237.263 0.278 20 0 BCADHM CCN1CCN(C(=O)c2cncc([O-])c2)[C@H](C)C1 ZINC000288397279 352147947 /nfs/dbraw/zinc/14/79/47/352147947.db2.gz LAUVTXHHRIGSLX-SNVBAGLBSA-N -1 3 249.314 0.953 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C1=CCCC1 ZINC000411099409 191158455 /nfs/dbraw/zinc/15/84/55/191158455.db2.gz POKONXCXHLPKHB-UHFFFAOYSA-N -1 3 235.247 0.213 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C1=CCCC1 ZINC000411099409 191158457 /nfs/dbraw/zinc/15/84/57/191158457.db2.gz POKONXCXHLPKHB-UHFFFAOYSA-N -1 3 235.247 0.213 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C1=CCCC1 ZINC000411099409 191158460 /nfs/dbraw/zinc/15/84/60/191158460.db2.gz POKONXCXHLPKHB-UHFFFAOYSA-N -1 3 235.247 0.213 20 0 BCADHM CC1(C)CCC[C@]1(O)CNC(=O)c1c[n-]nn1 ZINC000294541221 352380015 /nfs/dbraw/zinc/38/00/15/352380015.db2.gz VNYCDHNEERHUMO-NSHDSACASA-N -1 3 238.291 0.476 20 0 BCADHM CC1(C)CCC[C@]1(O)CNC(=O)c1cnn[n-]1 ZINC000294541221 352380017 /nfs/dbraw/zinc/38/00/17/352380017.db2.gz VNYCDHNEERHUMO-NSHDSACASA-N -1 3 238.291 0.476 20 0 BCADHM CC1(C)CCC[C@]1(O)CNC(=O)c1cn[n-]n1 ZINC000294541221 352380018 /nfs/dbraw/zinc/38/00/18/352380018.db2.gz VNYCDHNEERHUMO-NSHDSACASA-N -1 3 238.291 0.476 20 0 BCADHM CCCC[C@@H](C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297896859 352488198 /nfs/dbraw/zinc/48/81/98/352488198.db2.gz VXDNWAXESMLXJG-ZCFIWIBFSA-N -1 3 239.279 0.668 20 0 BCADHM CCCC[C@@H](C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297896859 352488202 /nfs/dbraw/zinc/48/82/02/352488202.db2.gz VXDNWAXESMLXJG-ZCFIWIBFSA-N -1 3 239.279 0.668 20 0 BCADHM CCCC[C@@H](C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297896859 352488205 /nfs/dbraw/zinc/48/82/05/352488205.db2.gz VXDNWAXESMLXJG-ZCFIWIBFSA-N -1 3 239.279 0.668 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-][C@@H]1COC[C@H]1O ZINC000307454347 352609144 /nfs/dbraw/zinc/60/91/44/352609144.db2.gz WHWCXQVPFVCKHO-RFZPGFLSSA-N -1 3 228.075 0.056 20 0 BCADHM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1c[nH]cn1 ZINC000334185405 352774109 /nfs/dbraw/zinc/77/41/09/352774109.db2.gz FAZYHZSGAOLHOW-NKWVEPMBSA-N -1 3 233.268 0.579 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCc1cn(C)nn1 ZINC000626422040 353106337 /nfs/dbraw/zinc/10/63/37/353106337.db2.gz RYKJHAZEKXMPNT-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CC(C)[C@H](O)C1(CNC(=O)c2c[n-]nn2)CC1 ZINC000271960895 188026049 /nfs/dbraw/zinc/02/60/49/188026049.db2.gz YVMFLARDZBKAGI-VIFPVBQESA-N -1 3 238.291 0.332 20 0 BCADHM CC(C)[C@H](O)C1(CNC(=O)c2cnn[n-]2)CC1 ZINC000271960895 188026050 /nfs/dbraw/zinc/02/60/50/188026050.db2.gz YVMFLARDZBKAGI-VIFPVBQESA-N -1 3 238.291 0.332 20 0 BCADHM CC(C)[C@H](O)C1(CNC(=O)c2cn[n-]n2)CC1 ZINC000271960895 188026052 /nfs/dbraw/zinc/02/60/52/188026052.db2.gz YVMFLARDZBKAGI-VIFPVBQESA-N -1 3 238.291 0.332 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Cc1ccccc1O ZINC000278596772 188030211 /nfs/dbraw/zinc/03/02/11/188030211.db2.gz KVEVDENUHMKHFO-UHFFFAOYSA-N -1 3 239.271 0.753 20 0 BCADHM CNC(=O)CCNCc1c(F)ccc([O-])c1F ZINC000293802216 188037744 /nfs/dbraw/zinc/03/77/44/188037744.db2.gz CARCTIHLOXKNMD-UHFFFAOYSA-N -1 3 244.241 0.896 20 0 BCADHM COc1ccc(C)nc1NC(=O)c1nnc[n-]1 ZINC000358598795 188240502 /nfs/dbraw/zinc/24/05/02/188240502.db2.gz ZYPBOOCEUCSSDL-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1ccc(C)nc1NC(=O)c1nc[n-]n1 ZINC000358598795 188240503 /nfs/dbraw/zinc/24/05/03/188240503.db2.gz ZYPBOOCEUCSSDL-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nc(NC(=O)[C@@H]2[C@@H](C)C2(F)F)n[n-]1 ZINC000359709046 188242133 /nfs/dbraw/zinc/24/21/33/188242133.db2.gz BNMSBMFEQRVACH-DMTCNVIQSA-N -1 3 232.190 0.653 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2[C@@H](C)C2(F)F)[n-]1 ZINC000359709046 188242134 /nfs/dbraw/zinc/24/21/34/188242134.db2.gz BNMSBMFEQRVACH-DMTCNVIQSA-N -1 3 232.190 0.653 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2[C@@H](C)C2(F)F)n1 ZINC000359709046 188242136 /nfs/dbraw/zinc/24/21/36/188242136.db2.gz BNMSBMFEQRVACH-DMTCNVIQSA-N -1 3 232.190 0.653 20 0 BCADHM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000360007561 188271056 /nfs/dbraw/zinc/27/10/56/188271056.db2.gz QMSNRJGRCBOVHK-SSDOTTSWSA-N -1 3 247.320 0.095 20 0 BCADHM CC(C)N(C)CC(=O)[N-]OCc1cccnc1 ZINC000153232409 188332466 /nfs/dbraw/zinc/33/24/66/188332466.db2.gz ROXPJWMAVQPMKE-UHFFFAOYSA-N -1 3 237.303 0.970 20 0 BCADHM CNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269064195 188373901 /nfs/dbraw/zinc/37/39/01/188373901.db2.gz CEORSHVUYNCINE-LBPRGKRZSA-N -1 3 247.254 0.101 20 0 BCADHM CC(=O)CCC(=O)[N-]OCc1cccnc1 ZINC000269541416 188374692 /nfs/dbraw/zinc/37/46/92/188374692.db2.gz KKJOBEMKBQNVGK-UHFFFAOYSA-N -1 3 222.244 0.999 20 0 BCADHM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1ccco1 ZINC000275429627 188379560 /nfs/dbraw/zinc/37/95/60/188379560.db2.gz DYYJBSIRTMPFIF-VIFPVBQESA-N -1 3 247.316 0.965 20 0 BCADHM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1ccco1 ZINC000276567930 188380613 /nfs/dbraw/zinc/38/06/13/188380613.db2.gz AIMNJICIYZMIOR-QMMMGPOBSA-N -1 3 247.316 0.965 20 0 BCADHM COC(=O)[C@@H](C)CC(=O)Nc1ncccc1[O-] ZINC000178225739 366106465 /nfs/dbraw/zinc/10/64/65/366106465.db2.gz CHPSPFNUGHBJKS-ZETCQYMHSA-N -1 3 238.243 0.925 20 0 BCADHM C[C@@H]1OCC[C@]1(C)N=c1ncnc2[nH][n-]cc1-2 ZINC000343567235 353937022 /nfs/dbraw/zinc/93/70/22/353937022.db2.gz YKWXGAWSBVTCHB-CPCISQLKSA-N -1 3 233.275 0.706 20 0 BCADHM CC(C)(O)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344076934 354134410 /nfs/dbraw/zinc/13/44/10/354134410.db2.gz WHEWZJUPVKHRNL-MRVPVSSYSA-N -1 3 240.307 0.461 20 0 BCADHM C[C@@H]1CC[C@H](Cn2cc(Cl)c(=O)[n-]c2=O)O1 ZINC000232024604 363359825 /nfs/dbraw/zinc/35/98/25/363359825.db2.gz CERUTQUUWFHFNL-RNFRBKRXSA-N -1 3 244.678 0.758 20 0 BCADHM Cc1n[nH]cc1CNCc1cnc(C)[n-]c1=O ZINC000344329553 354225771 /nfs/dbraw/zinc/22/57/71/354225771.db2.gz MQLLPVMLOUJWPM-UHFFFAOYSA-N -1 3 233.275 0.812 20 0 BCADHM CCn1cc(CNCc2cnc(C)[n-]c2=O)cn1 ZINC000344334460 354229288 /nfs/dbraw/zinc/22/92/88/354229288.db2.gz PXANCIQFPOOFAS-UHFFFAOYSA-N -1 3 247.302 0.997 20 0 BCADHM C[C@]1(CNC(=O)c2ccccc2[O-])CCC(=O)N1 ZINC000334755453 354576978 /nfs/dbraw/zinc/57/69/78/354576978.db2.gz NYJLVIMYLGVFSG-CYBMUJFWSA-N -1 3 248.282 0.791 20 0 BCADHM CC1(O)CN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000334795520 354549092 /nfs/dbraw/zinc/54/90/92/354549092.db2.gz XENIQLVSUDKWCC-UHFFFAOYSA-N -1 3 239.246 0.667 20 0 BCADHM Cc1cnn(CCC(=O)Nc2ccncc2[O-])c1 ZINC000345357289 354629666 /nfs/dbraw/zinc/62/96/66/354629666.db2.gz DRMCOVNMOQRZPP-UHFFFAOYSA-N -1 3 246.270 0.743 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1CCCOC1 ZINC000345377953 354645718 /nfs/dbraw/zinc/64/57/18/354645718.db2.gz JFJGGIGQDGRIAT-MRVPVSSYSA-N -1 3 222.244 0.574 20 0 BCADHM O=C(Nc1ccncc1[O-])c1cnns1 ZINC000345374631 354656393 /nfs/dbraw/zinc/65/63/93/354656393.db2.gz KUOOSFADAPQSEL-UHFFFAOYSA-N -1 3 222.229 0.313 20 0 BCADHM C[C@H]1NCCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC000379449750 358488550 /nfs/dbraw/zinc/48/85/50/358488550.db2.gz HNMHWEFTIZAFQR-RKDXNWHRSA-N -1 3 235.287 0.610 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)C(C)C)n1 ZINC000345586634 354707979 /nfs/dbraw/zinc/70/79/79/354707979.db2.gz JQPAELDJRQYQJZ-UHFFFAOYSA-N -1 3 226.236 0.115 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)C(C)C)[n-]1 ZINC000345586634 354707980 /nfs/dbraw/zinc/70/79/80/354707980.db2.gz JQPAELDJRQYQJZ-UHFFFAOYSA-N -1 3 226.236 0.115 20 0 BCADHM COC(=O)Cc1nc(NC(=O)C(C)C)n[n-]1 ZINC000345586634 354707984 /nfs/dbraw/zinc/70/79/84/354707984.db2.gz JQPAELDJRQYQJZ-UHFFFAOYSA-N -1 3 226.236 0.115 20 0 BCADHM Cc1ccc([O-])c(NC(=O)c2ccc(=O)[nH]n2)n1 ZINC000345928735 354810835 /nfs/dbraw/zinc/81/08/35/354810835.db2.gz NZPPVDGZFNDXJQ-UHFFFAOYSA-N -1 3 246.226 0.844 20 0 BCADHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1ccoc1 ZINC000335167606 354927462 /nfs/dbraw/zinc/92/74/62/354927462.db2.gz GFFYXUVNWBSMOK-UHFFFAOYSA-N -1 3 241.272 0.790 20 0 BCADHM O=S(=O)([N-][C@H]1CC[C@H](O)CC1)c1ccco1 ZINC000335244874 355158911 /nfs/dbraw/zinc/15/89/11/355158911.db2.gz OQHORBBMAJYDNE-KYZUINATSA-N -1 3 245.300 0.861 20 0 BCADHM CN(C)C(=O)C1(NC(=O)c2ccccc2[O-])CC1 ZINC000335259197 355198939 /nfs/dbraw/zinc/19/89/39/355198939.db2.gz OVCZNCBGHBRULF-UHFFFAOYSA-N -1 3 248.282 0.743 20 0 BCADHM C[C@@H]1C[C@H](CN=c2ncnc3[nH][n-]cc2-3)[C@@H](C)O1 ZINC000413526014 191392895 /nfs/dbraw/zinc/39/28/95/191392895.db2.gz AXTRCDCHUUYSOD-IWSPIJDZSA-N -1 3 247.302 0.952 20 0 BCADHM Cc1cccc(C(=O)N[C@@H]2CC[C@H]2O)c1[O-] ZINC000335515980 355312081 /nfs/dbraw/zinc/31/20/81/355312081.db2.gz DEMIBKXDWBXSAE-NXEZZACHSA-N -1 3 221.256 0.954 20 0 BCADHM Cc1cc(C(=O)N2CC(=O)N(C)C2)ccc1[O-] ZINC000335844200 355588324 /nfs/dbraw/zinc/58/83/24/355588324.db2.gz YWKGZADQQAMIRW-UHFFFAOYSA-N -1 3 234.255 0.572 20 0 BCADHM CC(C)[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335839459 355570029 /nfs/dbraw/zinc/57/00/29/355570029.db2.gz ZRDNHAULAOOOCQ-JTQLQIEISA-N -1 3 238.335 0.976 20 0 BCADHM CC1(C)CN(CC2(C(=O)[O-])CC2)CCO1 ZINC000583569824 355635435 /nfs/dbraw/zinc/63/54/35/355635435.db2.gz OTMZYCZDCQUBIF-UHFFFAOYSA-N -1 3 213.277 0.962 20 0 BCADHM Cc1cnccc1NC([O-])=C(N)C(F)(F)F ZINC000335869945 355636360 /nfs/dbraw/zinc/63/63/60/355636360.db2.gz FUIAJQFEHINUBG-SSDOTTSWSA-N -1 3 233.193 0.640 20 0 BCADHM CCN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1CCCO1 ZINC000329599576 355933417 /nfs/dbraw/zinc/93/34/17/355933417.db2.gz PWWIWPXRYHOZCY-VIFPVBQESA-N -1 3 240.307 0.109 20 0 BCADHM Cc1ccc(C(=O)NCc2nnnn2C)c([O-])c1 ZINC000389373582 355989423 /nfs/dbraw/zinc/98/94/23/355989423.db2.gz NEUZNDUQTFMENH-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM NC(=O)CCCC(=O)NCc1ncccc1[O-] ZINC000352502105 181220561 /nfs/dbraw/zinc/22/05/61/181220561.db2.gz QYLQCGYJKLOLDS-UHFFFAOYSA-N -1 3 237.259 0.059 20 0 BCADHM NC(=O)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184963690 181235335 /nfs/dbraw/zinc/23/53/35/181235335.db2.gz LZLAGKLROTVXNL-UHFFFAOYSA-N -1 3 248.282 0.486 20 0 BCADHM NC(=O)NC1(C(=O)Nc2ccccc2[O-])CC1 ZINC000271139495 181256938 /nfs/dbraw/zinc/25/69/38/181256938.db2.gz XSXLKYKEYQBCGA-UHFFFAOYSA-N -1 3 235.243 0.532 20 0 BCADHM NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000019966555 181263210 /nfs/dbraw/zinc/26/32/10/181263210.db2.gz BJRKDQPTKBLDBI-UHFFFAOYSA-N -1 3 205.173 0.061 20 0 BCADHM COc1cccc(C(=O)NC/C=C\CO)c1[O-] ZINC000617690539 356281708 /nfs/dbraw/zinc/28/17/08/356281708.db2.gz BHFLLMINHLLJKX-IHWYPQMZSA-N -1 3 237.255 0.679 20 0 BCADHM O=C(NCC=CCO)c1cc(=O)[n-]c(C2CC2)n1 ZINC000617683794 356275384 /nfs/dbraw/zinc/27/53/84/356275384.db2.gz JBVFRZINCAZDPC-UPHRSURJSA-N -1 3 249.270 0.338 20 0 BCADHM NC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000270789029 181261447 /nfs/dbraw/zinc/26/14/47/181261447.db2.gz URETXZKFVYJWQC-QMMMGPOBSA-N -1 3 249.270 0.275 20 0 BCADHM Cc1ccc(C(=O)NC/C=C/CO)c([O-])c1 ZINC000617685418 356283732 /nfs/dbraw/zinc/28/37/32/356283732.db2.gz PCMTVXVECRFSCC-NSCUHMNNSA-N -1 3 221.256 0.979 20 0 BCADHM CCN1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC000352668783 356399841 /nfs/dbraw/zinc/39/98/41/356399841.db2.gz UWMNMBILHLBPLN-QMMMGPOBSA-N -1 3 225.296 0.036 20 0 BCADHM NC(=O)[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000019839207 181269195 /nfs/dbraw/zinc/26/91/95/181269195.db2.gz CDXUXDSGZPNEOZ-SNVBAGLBSA-N -1 3 248.282 0.730 20 0 BCADHM NC(=O)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000053891754 181270802 /nfs/dbraw/zinc/27/08/02/181270802.db2.gz JQGAMFUHMKYHHP-MRVPVSSYSA-N -1 3 234.255 0.340 20 0 BCADHM O=C(NCC1(CO)CCC1)c1cc(=O)[n-]cn1 ZINC000626440268 356403583 /nfs/dbraw/zinc/40/35/83/356403583.db2.gz VHKOZLRLBRYYPT-UHFFFAOYSA-N -1 3 237.259 0.075 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)CCC1CCC1 ZINC000297855743 181286224 /nfs/dbraw/zinc/28/62/24/181286224.db2.gz SHRFSRRRQRMHOO-UHFFFAOYSA-N -1 3 237.263 0.422 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)CCC1CCC1 ZINC000297855743 181286219 /nfs/dbraw/zinc/28/62/19/181286219.db2.gz SHRFSRRRQRMHOO-UHFFFAOYSA-N -1 3 237.263 0.422 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)CCC1CCC1 ZINC000297855743 181286222 /nfs/dbraw/zinc/28/62/22/181286222.db2.gz SHRFSRRRQRMHOO-UHFFFAOYSA-N -1 3 237.263 0.422 20 0 BCADHM CCOC1(C(=O)[N-]c2nncn2C)CCC1 ZINC000613538754 363479012 /nfs/dbraw/zinc/47/90/12/363479012.db2.gz PDNDCWRSWDLMNA-UHFFFAOYSA-N -1 3 224.264 0.713 20 0 BCADHM C[C@@H]1OCC[C@H]1CN(C)Cc1n[n-]c(=O)o1 ZINC000639674788 356591782 /nfs/dbraw/zinc/59/17/82/356591782.db2.gz AFSGHJOAOLWXAU-YUMQZZPRSA-N -1 3 227.264 0.632 20 0 BCADHM CCNC(=O)CC(=O)Nc1cccc([O-])c1F ZINC000541888581 324989200 /nfs/dbraw/zinc/98/92/00/324989200.db2.gz NWHHMQUCJJTMFC-UHFFFAOYSA-N -1 3 240.234 0.996 20 0 BCADHM C[C@H]1CC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627213918 363509967 /nfs/dbraw/zinc/50/99/67/363509967.db2.gz TWRRZIJXBCCHML-NKWVEPMBSA-N -1 3 207.233 0.711 20 0 BCADHM CCS(=O)(=O)[N-][C@H](C)C(C)(F)F ZINC000389504922 356694641 /nfs/dbraw/zinc/69/46/41/356694641.db2.gz AJQSZABQVCXKOU-RXMQYKEDSA-N -1 3 201.238 0.969 20 0 BCADHM Cc1cccc([O-])c1C(=O)N(C)CCO ZINC000623933392 356930722 /nfs/dbraw/zinc/93/07/22/356930722.db2.gz BPOHFHKOIMKKPZ-UHFFFAOYSA-N -1 3 209.245 0.765 20 0 BCADHM CCOCCCNC(=O)c1cc(=O)[n-]cn1 ZINC000623391868 356941045 /nfs/dbraw/zinc/94/10/45/356941045.db2.gz IGIGWWFAYKRWCQ-UHFFFAOYSA-N -1 3 225.248 0.339 20 0 BCADHM CC[C@H](NC(=O)c1cc(=O)[n-]cn1)c1ncc[nH]1 ZINC000626483544 357046996 /nfs/dbraw/zinc/04/69/96/357046996.db2.gz FAFKGECFSBHVCI-ZETCQYMHSA-N -1 3 247.258 0.786 20 0 BCADHM COC[C@@H](NCc1n[nH]c(=O)[n-]1)C(C)C ZINC000392366360 357147904 /nfs/dbraw/zinc/14/79/04/357147904.db2.gz HDCWOWDZAXLHLP-SSDOTTSWSA-N -1 3 214.269 0.271 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCO[C@H](C2CC2)C1 ZINC000626511557 357155724 /nfs/dbraw/zinc/15/57/24/357155724.db2.gz NFIBSZDNIMSYGE-JTQLQIEISA-N -1 3 249.270 0.433 20 0 BCADHM O=C([O-])C[C@@H]1CN(CCC2CC2)CCO1 ZINC000085617889 357122980 /nfs/dbraw/zinc/12/29/80/357122980.db2.gz BUPZFYGHDCECJP-SNVBAGLBSA-N -1 3 213.277 0.962 20 0 BCADHM CCOC[C@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626524121 357176509 /nfs/dbraw/zinc/17/65/09/357176509.db2.gz GGADJGBNFURFTP-ZETCQYMHSA-N -1 3 225.248 0.337 20 0 BCADHM CC[C@@]1(O)CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000626531412 357394334 /nfs/dbraw/zinc/39/43/34/357394334.db2.gz BXQOVUREOYLWRH-LLVKDONJSA-N -1 3 237.259 0.169 20 0 BCADHM CCCNC(=O)CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000397076310 357497986 /nfs/dbraw/zinc/49/79/86/357497986.db2.gz CXVJAEYVLRQPHF-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 ZINC000158131259 538849143 /nfs/dbraw/zinc/84/91/43/538849143.db2.gz JTVHACYVEZKZJL-UHFFFAOYSA-N -1 3 246.336 0.926 20 0 BCADHM CC[C@H](NC(=O)[C@@H]1C[C@H](C)CCN1)C(=O)[O-] ZINC000160638087 538885477 /nfs/dbraw/zinc/88/54/77/538885477.db2.gz FVRHUQWFVKPWFL-VGMNWLOBSA-N -1 3 228.292 0.354 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@H](N)C1CCC1 ZINC000399110058 357895984 /nfs/dbraw/zinc/89/59/84/357895984.db2.gz YXJMYFFLJAHDTM-SNVBAGLBSA-N -1 3 228.292 0.437 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CCSC)c1 ZINC000610469778 357947115 /nfs/dbraw/zinc/94/71/15/357947115.db2.gz FIECOLGBOSAPNU-UHFFFAOYSA-N -1 3 249.361 0.544 20 0 BCADHM O=C([N-]c1cnns1)N1CCn2ccnc21 ZINC000640024005 358107494 /nfs/dbraw/zinc/10/74/94/358107494.db2.gz CBBYGXZLJRGSPV-UHFFFAOYSA-N -1 3 236.260 0.787 20 0 BCADHM CCN(Cc1ncccc1[O-])[C@H](C)CO ZINC000584757207 358169486 /nfs/dbraw/zinc/16/94/86/358169486.db2.gz XVGSBAIDFLREAP-SECBINFHSA-N -1 3 210.277 0.990 20 0 BCADHM O=c1cc(-c2noc(C[C@H]3CCCO3)n2)nc[n-]1 ZINC000351371671 358188841 /nfs/dbraw/zinc/18/88/41/358188841.db2.gz ODIJGYBXEPYYSD-SSDOTTSWSA-N -1 3 248.242 0.954 20 0 BCADHM C[C@H](CCCO)CN=c1ncnc2[nH][n-]cc1-2 ZINC000450628269 202218245 /nfs/dbraw/zinc/21/82/45/202218245.db2.gz KSCSDRYZHHMOCJ-MRVPVSSYSA-N -1 3 235.291 0.547 20 0 BCADHM CC[C@@H]1CN([C@@H](C(=O)[O-])C2CC2)CCO1 ZINC000226497277 358339921 /nfs/dbraw/zinc/33/99/21/358339921.db2.gz IHBGSAISUXDKDV-NXEZZACHSA-N -1 3 213.277 0.960 20 0 BCADHM CC[C@H](C)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000227056614 358347165 /nfs/dbraw/zinc/34/71/65/358347165.db2.gz GFNVRJHYZGYAAC-IUCAKERBSA-N -1 3 201.266 0.960 20 0 BCADHM Cn1cc(CN[C@]2(C(=O)[O-])CCSC2)cn1 ZINC000041834876 358514779 /nfs/dbraw/zinc/51/47/79/358514779.db2.gz WSFPMBLUOHFKPN-SNVBAGLBSA-N -1 3 241.316 0.470 20 0 BCADHM CC(C)CNC(=O)[C@@H](C)N(C)CCCC(=O)[O-] ZINC000042717524 358529359 /nfs/dbraw/zinc/52/93/59/358529359.db2.gz MMCQLRMSAFLJAC-SNVBAGLBSA-N -1 3 244.335 0.944 20 0 BCADHM Cc1nnc(NC(=O)c2cnn[n-]2)s1 ZINC000048941864 358663313 /nfs/dbraw/zinc/66/33/13/358663313.db2.gz ASCYOVDZLIWPNE-UHFFFAOYSA-N -1 3 210.222 0.217 20 0 BCADHM Cc1nnc(NC(=O)c2c[n-]nn2)s1 ZINC000048941864 358663316 /nfs/dbraw/zinc/66/33/16/358663316.db2.gz ASCYOVDZLIWPNE-UHFFFAOYSA-N -1 3 210.222 0.217 20 0 BCADHM Cc1nnc(NC(=O)c2cn[n-]n2)s1 ZINC000048941864 358663319 /nfs/dbraw/zinc/66/33/19/358663319.db2.gz ASCYOVDZLIWPNE-UHFFFAOYSA-N -1 3 210.222 0.217 20 0 BCADHM CO[C@H](C)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000049424463 358689279 /nfs/dbraw/zinc/68/92/79/358689279.db2.gz DSVIMHMUAPUABR-SSDOTTSWSA-N -1 3 247.258 0.840 20 0 BCADHM CO[C@H](C)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000049424463 358689281 /nfs/dbraw/zinc/68/92/81/358689281.db2.gz DSVIMHMUAPUABR-SSDOTTSWSA-N -1 3 247.258 0.840 20 0 BCADHM CO[C@H](C)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000049424463 358689284 /nfs/dbraw/zinc/68/92/84/358689284.db2.gz DSVIMHMUAPUABR-SSDOTTSWSA-N -1 3 247.258 0.840 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000132657464 358731659 /nfs/dbraw/zinc/73/16/59/358731659.db2.gz WHKPDVXKQZHCSA-HZGVNTEJSA-N -1 3 246.270 0.812 20 0 BCADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)C1(CO)CC1 ZINC000617898637 358741444 /nfs/dbraw/zinc/74/14/44/358741444.db2.gz IHETWWWOUMSOOL-ZCFIWIBFSA-N -1 3 242.300 0.740 20 0 BCADHM O=C(NCCc1ncc[nH]1)c1cncc([O-])c1 ZINC000135554510 358844297 /nfs/dbraw/zinc/84/42/97/358844297.db2.gz SQVRUEYYESAWGW-UHFFFAOYSA-N -1 3 232.243 0.483 20 0 BCADHM CC1(O)CC(c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC000351380207 366520050 /nfs/dbraw/zinc/52/00/50/366520050.db2.gz XOPNSHMSRPZETH-UHFFFAOYSA-N -1 3 248.242 0.861 20 0 BCADHM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)CC1CCC1 ZINC000578319599 366505053 /nfs/dbraw/zinc/50/50/53/366505053.db2.gz SIQGIQZAHUKNAJ-NXEZZACHSA-N -1 3 249.332 0.120 20 0 BCADHM CCOC(C)(C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000626590951 358976033 /nfs/dbraw/zinc/97/60/33/358976033.db2.gz YXXBUKBFCNJAIW-UHFFFAOYSA-N -1 3 239.275 0.727 20 0 BCADHM C[C@H]1COCC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000626668417 359024292 /nfs/dbraw/zinc/02/42/92/359024292.db2.gz LAEDIOGVWNAZMZ-YUMQZZPRSA-N -1 3 237.259 0.337 20 0 BCADHM CC(C)N(C)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948972 359036252 /nfs/dbraw/zinc/03/62/52/359036252.db2.gz BYFSDEANWJYRSD-UHFFFAOYSA-N -1 3 246.336 0.028 20 0 BCADHM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948358 359036683 /nfs/dbraw/zinc/03/66/83/359036683.db2.gz DFCTXHBDGJIKNT-MRVPVSSYSA-N -1 3 247.320 0.095 20 0 BCADHM COCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070249682 359046315 /nfs/dbraw/zinc/04/63/15/359046315.db2.gz WEDFUDISBFMPOP-UHFFFAOYSA-N -1 3 233.231 0.452 20 0 BCADHM COCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070249682 359046318 /nfs/dbraw/zinc/04/63/18/359046318.db2.gz WEDFUDISBFMPOP-UHFFFAOYSA-N -1 3 233.231 0.452 20 0 BCADHM CC[C@@H](N=c1ncnc2[nH][n-]cc1-2)[C@H](C)O ZINC000450787153 202266380 /nfs/dbraw/zinc/26/63/80/202266380.db2.gz BDYWYQFHYLSTNP-POYBYMJQSA-N -1 3 221.264 0.298 20 0 BCADHM CC[C@H](N=c1ncnc2[nH][n-]cc1-2)[C@@H](C)O ZINC000450787154 202266439 /nfs/dbraw/zinc/26/64/39/202266439.db2.gz BDYWYQFHYLSTNP-SVRRBLITSA-N -1 3 221.264 0.298 20 0 BCADHM CO[C@@H]1CCC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000450790576 202268498 /nfs/dbraw/zinc/26/84/98/202268498.db2.gz YQLKNLXOWSYHHB-RKDXNWHRSA-N -1 3 233.275 0.706 20 0 BCADHM CC1(C)COC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000450853313 202289952 /nfs/dbraw/zinc/28/99/52/202289952.db2.gz HJXIETSMBQVDFX-MRVPVSSYSA-N -1 3 233.275 0.563 20 0 BCADHM COCC1(S(=O)(=O)[N-]C2(C(C)=O)CC2)CC1 ZINC000632448954 359774586 /nfs/dbraw/zinc/77/45/86/359774586.db2.gz LRROMXDSUHCJBB-UHFFFAOYSA-N -1 3 247.316 0.206 20 0 BCADHM CSc1ccc([O-])c(C(=O)N2CC(O)C2)c1 ZINC000612309926 359781198 /nfs/dbraw/zinc/78/11/98/359781198.db2.gz LVXRZXYEMUJSCE-UHFFFAOYSA-N -1 3 239.296 0.931 20 0 BCADHM CO[C@H](C)CN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450917598 202309200 /nfs/dbraw/zinc/30/92/00/202309200.db2.gz DTRFZWNUWAQUKL-MRVPVSSYSA-N -1 3 241.291 0.990 20 0 BCADHM CC(=O)C[C@@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000612793368 360060256 /nfs/dbraw/zinc/06/02/56/360060256.db2.gz ISWVQXWLGYHESW-MRVPVSSYSA-N -1 3 236.271 0.814 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)CCCF)C(=O)OC ZINC000090183986 360062253 /nfs/dbraw/zinc/06/22/53/360062253.db2.gz ABTYFVPWVGRTNN-ZETCQYMHSA-N -1 3 241.284 0.217 20 0 BCADHM O=c1[n-]c(=O)n(Cc2ccno2)cc1Cl ZINC000091329574 360112961 /nfs/dbraw/zinc/11/29/61/360112961.db2.gz XWGAXJGIJXPDRG-UHFFFAOYSA-N -1 3 227.607 0.226 20 0 BCADHM C[C@@H]1C[C@@H](C)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000092617142 360185527 /nfs/dbraw/zinc/18/55/27/360185527.db2.gz NNGSNPBJDFZLJX-HTQZYQBOSA-N -1 3 210.281 0.576 20 0 BCADHM CN(C[C@H]1CCCN1C)C(=O)c1cncc([O-])c1 ZINC000092632744 360186500 /nfs/dbraw/zinc/18/65/00/360186500.db2.gz IIMHVZJQAKLDIS-LLVKDONJSA-N -1 3 249.314 0.953 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCNC2=O)n1 ZINC000614164546 363727691 /nfs/dbraw/zinc/72/76/91/363727691.db2.gz PECLCGATSAHGDI-SSDOTTSWSA-N -1 3 235.243 0.170 20 0 BCADHM Cc1nnc(CC(=O)Nc2nc(C)ccc2[O-])[nH]1 ZINC000614164766 363727764 /nfs/dbraw/zinc/72/77/64/363727764.db2.gz RIORGEZOFOOSSQ-UHFFFAOYSA-N -1 3 247.258 0.703 20 0 BCADHM Cc1cccc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000628781249 360647650 /nfs/dbraw/zinc/64/76/50/360647650.db2.gz KPBMGOHQRZZCGY-KYZUINATSA-N -1 3 248.282 0.694 20 0 BCADHM CCC(F)(F)CNC(=O)c1cc(=O)[n-]cn1 ZINC000628838067 360691700 /nfs/dbraw/zinc/69/17/00/360691700.db2.gz SCPFIUYXOJTJQP-UHFFFAOYSA-N -1 3 231.202 0.957 20 0 BCADHM COc1nc(NC(=O)CCc2ccon2)n[n-]1 ZINC000613195656 360702269 /nfs/dbraw/zinc/70/22/69/360702269.db2.gz KHFPBHBKGRSQBW-UHFFFAOYSA-N -1 3 237.219 0.373 20 0 BCADHM COc1nnc(NC(=O)CCc2ccon2)[n-]1 ZINC000613195656 360702275 /nfs/dbraw/zinc/70/22/75/360702275.db2.gz KHFPBHBKGRSQBW-UHFFFAOYSA-N -1 3 237.219 0.373 20 0 BCADHM COc1n[n-]c(NC(=O)CCc2ccon2)n1 ZINC000613195656 360702279 /nfs/dbraw/zinc/70/22/79/360702279.db2.gz KHFPBHBKGRSQBW-UHFFFAOYSA-N -1 3 237.219 0.373 20 0 BCADHM CCN1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000153791791 360777830 /nfs/dbraw/zinc/77/78/30/360777830.db2.gz YQKQTVXZWQCWTQ-UHFFFAOYSA-N -1 3 249.314 0.955 20 0 BCADHM O=S(=O)([N-]CC1CC1)c1cncc(F)c1 ZINC000063519312 360779452 /nfs/dbraw/zinc/77/94/52/360779452.db2.gz ZHAXKDOMZKZLSU-UHFFFAOYSA-N -1 3 230.264 0.909 20 0 BCADHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cc(=O)[n-]cn1 ZINC000629119111 360884986 /nfs/dbraw/zinc/88/49/86/360884986.db2.gz HOAFGTMZULLARN-WCBMZHEXSA-N -1 3 249.270 0.480 20 0 BCADHM O=C(NC[C@H]1C[C@@H](O)C1)c1cccc([O-])c1 ZINC000629068628 360862604 /nfs/dbraw/zinc/86/26/04/360862604.db2.gz JAAJRDURLULNGM-DKTWLAJQSA-N -1 3 221.256 0.893 20 0 BCADHM C[C@@H]1C[C@H]1CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000629364520 361009511 /nfs/dbraw/zinc/00/95/11/361009511.db2.gz MKHSZEVRNGMTKT-DOLQZWNJSA-N -1 3 213.277 0.816 20 0 BCADHM CC(=O)N1CCN([C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000629485882 361091422 /nfs/dbraw/zinc/09/14/22/361091422.db2.gz OFQBJKZDXBSNHK-NSHDSACASA-N -1 3 242.319 0.650 20 0 BCADHM COc1cc(C(=O)NC2COC2)ccc1[O-] ZINC000634257286 361123005 /nfs/dbraw/zinc/12/30/05/361123005.db2.gz CXVIUHLBRQVMHB-UHFFFAOYSA-N -1 3 223.228 0.529 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000613208522 361228348 /nfs/dbraw/zinc/22/83/48/361228348.db2.gz VPPINRKZFVLKSN-QMMMGPOBSA-N -1 3 249.270 0.663 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@H]1CCC(=O)C1 ZINC000579011336 366695382 /nfs/dbraw/zinc/69/53/82/366695382.db2.gz VDEDIWGHBBDFPY-QMMMGPOBSA-N -1 3 234.255 0.773 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@@H]1CCC(=O)C1 ZINC000579011321 366695676 /nfs/dbraw/zinc/69/56/76/366695676.db2.gz VDEDIWGHBBDFPY-MRVPVSSYSA-N -1 3 234.255 0.773 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@H](O)C1CC1 ZINC000614256380 363772407 /nfs/dbraw/zinc/77/24/07/363772407.db2.gz ZFFHVXCVGJCDMI-SNVBAGLBSA-N -1 3 222.244 0.174 20 0 BCADHM Cn1cnnc1[N-]C(=O)c1ncc(F)cc1F ZINC000429076988 201066408 /nfs/dbraw/zinc/06/64/08/201066408.db2.gz OWAZGZCYYARPIB-UHFFFAOYSA-N -1 3 239.185 0.741 20 0 BCADHM CCOC(=O)c1cc(NC(=O)C(C)(C)O)n[n-]1 ZINC000191885311 361469434 /nfs/dbraw/zinc/46/94/34/361469434.db2.gz LRRUKVYVGPRAER-UHFFFAOYSA-N -1 3 241.247 0.296 20 0 BCADHM CCOC(=O)c1cc(NC(=O)C(C)(C)O)[n-]n1 ZINC000191885311 361469441 /nfs/dbraw/zinc/46/94/41/361469441.db2.gz LRRUKVYVGPRAER-UHFFFAOYSA-N -1 3 241.247 0.296 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]CCF)nc1C ZINC000435644832 201280820 /nfs/dbraw/zinc/28/08/20/201280820.db2.gz DLJSMDUVNPWFSE-UHFFFAOYSA-N -1 3 235.284 0.459 20 0 BCADHM COCCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436845101 201338196 /nfs/dbraw/zinc/33/81/96/201338196.db2.gz CEFWWDSFWOKUBN-UHFFFAOYSA-N -1 3 237.255 0.971 20 0 BCADHM CC[C@@H]1C[C@H]1NC(=O)C(=O)[N-]c1cnns1 ZINC000437105744 201343360 /nfs/dbraw/zinc/34/33/60/201343360.db2.gz KDSFQONKXDQQOL-PHDIDXHHSA-N -1 3 240.288 0.391 20 0 BCADHM CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N2)c1[O-] ZINC000614861682 364016144 /nfs/dbraw/zinc/01/61/44/364016144.db2.gz ROMXVFWESZSLJQ-SECBINFHSA-N -1 3 248.238 0.422 20 0 BCADHM COC(C)(C)C[N-]S(=O)(=O)c1conc1C ZINC000632039139 364026281 /nfs/dbraw/zinc/02/62/81/364026281.db2.gz VEDBFWUQFLXERM-UHFFFAOYSA-N -1 3 248.304 0.686 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1=CCCC1 ZINC000614922825 364097376 /nfs/dbraw/zinc/09/73/76/364097376.db2.gz IWNFHMUFEOMUKU-UHFFFAOYSA-N -1 3 235.287 0.869 20 0 BCADHM C[C@H](O)CS(=O)(=O)c1ncc(C(C)(C)C)[n-]1 ZINC000630437076 364165177 /nfs/dbraw/zinc/16/51/77/364165177.db2.gz WVGSPNKCLYDQLP-ZETCQYMHSA-N -1 3 246.332 0.862 20 0 BCADHM C[C@H](O)CS(=O)(=O)c1nc(C(C)(C)C)c[n-]1 ZINC000630437076 364165183 /nfs/dbraw/zinc/16/51/83/364165183.db2.gz WVGSPNKCLYDQLP-ZETCQYMHSA-N -1 3 246.332 0.862 20 0 BCADHM C[C@H](CCO)N(C)C(=O)c1cc(F)c[n-]c1=O ZINC000622127708 370725975 /nfs/dbraw/zinc/72/59/75/370725975.db2.gz BGFTVUYSOWVUET-SSDOTTSWSA-N -1 3 242.250 0.769 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1CC12CCC2 ZINC000614991086 364277545 /nfs/dbraw/zinc/27/75/45/364277545.db2.gz MCPJSATXHHXLIO-ZCFIWIBFSA-N -1 3 232.247 0.581 20 0 BCADHM CCN[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000630572065 364268326 /nfs/dbraw/zinc/26/83/26/364268326.db2.gz YHZRIZQSFFKPHR-BDAKNGLRSA-N -1 3 230.308 0.600 20 0 BCADHM CCN[C@H](C)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000630573796 364269944 /nfs/dbraw/zinc/26/99/44/364269944.db2.gz KRQXQRIVGKFOHR-SECBINFHSA-N -1 3 244.335 0.944 20 0 BCADHM CCN[C@@H](C)C(=O)N(CC(=O)[O-])C1CCC1 ZINC000630574082 364270756 /nfs/dbraw/zinc/27/07/56/364270756.db2.gz MVJJURIYAJAOJK-QMMMGPOBSA-N -1 3 228.292 0.450 20 0 BCADHM CCO[C@H](CC)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614992129 364284442 /nfs/dbraw/zinc/28/44/42/364284442.db2.gz XUNRUGHLOUKWPA-ZCFIWIBFSA-N -1 3 238.251 0.206 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C1=CCCC1 ZINC000614992109 364285012 /nfs/dbraw/zinc/28/50/12/364285012.db2.gz XANYONKHMFXYBF-UHFFFAOYSA-N -1 3 218.220 0.501 20 0 BCADHM C[C@]1(C(=O)[N-]c2nnc3[nH]cnn23)C[C@H]2C[C@H]2C1 ZINC000614993533 364287454 /nfs/dbraw/zinc/28/74/54/364287454.db2.gz IECNDAYZJGYPLS-IIDWOEFGSA-N -1 3 246.274 0.827 20 0 BCADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)[N-]c1nnc2[nH]cnn12 ZINC000614997134 364309253 /nfs/dbraw/zinc/30/92/53/364309253.db2.gz SNIJWVJMGDXNQO-BIIVOSGPSA-N -1 3 246.274 0.827 20 0 BCADHM C[C@@H](CCO)NC(=O)c1cccc([O-])c1 ZINC000133906469 364377161 /nfs/dbraw/zinc/37/71/61/364377161.db2.gz AWNBUMMAWDWBHB-QMMMGPOBSA-N -1 3 209.245 0.893 20 0 BCADHM CC(C)OCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000134139058 364392346 /nfs/dbraw/zinc/39/23/46/364392346.db2.gz UBMKYUGHAJEFAX-UHFFFAOYSA-N -1 3 233.293 0.113 20 0 BCADHM CCc1nnc(CNC(=O)c2cncc([O-])c2)[nH]1 ZINC000295454123 364780517 /nfs/dbraw/zinc/78/05/17/364780517.db2.gz WSQREHFKSDUKPD-UHFFFAOYSA-N -1 3 247.258 0.398 20 0 BCADHM CCc1nc(CNC(=O)c2cncc([O-])c2)n[nH]1 ZINC000295454123 364780521 /nfs/dbraw/zinc/78/05/21/364780521.db2.gz WSQREHFKSDUKPD-UHFFFAOYSA-N -1 3 247.258 0.398 20 0 BCADHM C[C@@H]1CN(c2ccncc2C(=O)[O-])CC[C@@H]1O ZINC000166373625 364787286 /nfs/dbraw/zinc/78/72/86/364787286.db2.gz BLKAGTIDWHUCIW-KCJUWKMLSA-N -1 3 236.271 0.987 20 0 BCADHM C[C@@H]1CC[C@@H](N(C)CC(=O)Nc2nnn[n-]2)C1 ZINC000574287227 365029455 /nfs/dbraw/zinc/02/94/55/365029455.db2.gz HDQDHSWSQJJLKP-HTQZYQBOSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@@H]1CC[C@@H](N(C)CC(=O)Nc2nn[n-]n2)C1 ZINC000574287227 365029460 /nfs/dbraw/zinc/02/94/60/365029460.db2.gz HDQDHSWSQJJLKP-HTQZYQBOSA-N -1 3 238.295 0.259 20 0 BCADHM [O-]c1cccnc1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000575218035 365248981 /nfs/dbraw/zinc/24/89/81/365248981.db2.gz OCJNWIOOEDSOBX-AOOOYVTPSA-N -1 3 236.271 0.387 20 0 BCADHM C[C@@H](C(=O)Nc1ncccc1[O-])n1cncn1 ZINC000172205283 365301620 /nfs/dbraw/zinc/30/16/20/365301620.db2.gz BVXGVRWCLGBHLH-ZETCQYMHSA-N -1 3 233.231 0.578 20 0 BCADHM CC(=O)N1CC(NC(=O)c2cccc([O-])c2)C1 ZINC000182501609 366912460 /nfs/dbraw/zinc/91/24/60/366912460.db2.gz ROQCJAKLQPXKKO-UHFFFAOYSA-N -1 3 234.255 0.353 20 0 BCADHM COC(=O)[C@@H]([N-]S(C)(=O)=O)c1ccsc1 ZINC000184252127 367070729 /nfs/dbraw/zinc/07/07/29/367070729.db2.gz SXMYJPZPMQZODE-ZETCQYMHSA-N -1 3 249.313 0.511 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)CC1CC1 ZINC000580024979 367135655 /nfs/dbraw/zinc/13/56/55/367135655.db2.gz VZZVGXJYLCMZHY-UHFFFAOYSA-N -1 3 223.232 0.935 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)CC1CC1 ZINC000580024979 367135658 /nfs/dbraw/zinc/13/56/58/367135658.db2.gz VZZVGXJYLCMZHY-UHFFFAOYSA-N -1 3 223.232 0.935 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]Cc1cc(C)on1 ZINC000581065542 367249617 /nfs/dbraw/zinc/24/96/17/367249617.db2.gz YDXQACSQDGICSL-MRVPVSSYSA-N -1 3 248.304 0.437 20 0 BCADHM CC(C)C[C@@H](NC(=O)[C@@H](C)NC1CC1)C(=O)[O-] ZINC000382936548 367570249 /nfs/dbraw/zinc/57/02/49/367570249.db2.gz HKMKEHTYJSNJJJ-PSASIEDQSA-N -1 3 242.319 0.742 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)[C@H](C)NC1CC1)C(=O)[O-] ZINC000382976744 367577971 /nfs/dbraw/zinc/57/79/71/367577971.db2.gz SRUFPPBOWDLIQA-NRPADANISA-N -1 3 242.319 0.742 20 0 BCADHM C[C@](O)(CNc1ccncc1C(=O)[O-])C1CC1 ZINC000383926009 367660040 /nfs/dbraw/zinc/66/00/40/367660040.db2.gz RRYABWHYVDCTEV-LBPRGKRZSA-N -1 3 236.271 0.775 20 0 BCADHM C[C@H]1C[C@@H](O)CN1C(=O)c1ccc(O)cc1[O-] ZINC000384855333 367744667 /nfs/dbraw/zinc/74/46/67/367744667.db2.gz DRYAQMRFXUFMHW-IONNQARKSA-N -1 3 237.255 0.693 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1cscn1 ZINC000617828547 367767508 /nfs/dbraw/zinc/76/75/08/367767508.db2.gz PYNDDBUCUWEOFD-RXMQYKEDSA-N -1 3 223.261 0.752 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1cscn1 ZINC000617828547 367767515 /nfs/dbraw/zinc/76/75/15/367767515.db2.gz PYNDDBUCUWEOFD-RXMQYKEDSA-N -1 3 223.261 0.752 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1cscn1 ZINC000617828547 367767518 /nfs/dbraw/zinc/76/75/18/367767518.db2.gz PYNDDBUCUWEOFD-RXMQYKEDSA-N -1 3 223.261 0.752 20 0 BCADHM O=S(=O)([N-]CCCF)c1cscn1 ZINC000581723576 367787015 /nfs/dbraw/zinc/78/70/15/367787015.db2.gz KANFZWDDJDKZTC-UHFFFAOYSA-N -1 3 224.282 0.781 20 0 BCADHM Cc1cc(C(=O)N2CCOCCN2)ccc1[O-] ZINC000615498882 368074841 /nfs/dbraw/zinc/07/48/41/368074841.db2.gz NTMDTEMSDZDIQV-UHFFFAOYSA-N -1 3 236.271 0.678 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)N1CCOC1 ZINC000615765856 368292833 /nfs/dbraw/zinc/29/28/33/368292833.db2.gz ZFHZKJJFBCWLSW-UHFFFAOYSA-N -1 3 225.219 0.890 20 0 BCADHM COC[C@H](C)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000066086062 368640978 /nfs/dbraw/zinc/64/09/78/368640978.db2.gz PTBSQRAOTCTGFY-ZETCQYMHSA-N -1 3 247.320 0.042 20 0 BCADHM CO[N-]C(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000068744870 368733643 /nfs/dbraw/zinc/73/36/43/368733643.db2.gz QMUVAOFQARNSOX-SECBINFHSA-N -1 3 221.212 0.966 20 0 BCADHM COc1ncccc1CN(C)[C@H](C)C(=O)[O-] ZINC000087415199 368892880 /nfs/dbraw/zinc/89/28/80/368892880.db2.gz QJISKVZYABPVOH-MRVPVSSYSA-N -1 3 224.260 0.995 20 0 BCADHM Cc1occc1CNC(=O)c1c[n-]nn1 ZINC000618835395 369224016 /nfs/dbraw/zinc/22/40/16/369224016.db2.gz GPNJIEIAXKREGS-UHFFFAOYSA-N -1 3 206.205 0.636 20 0 BCADHM Cc1occc1CNC(=O)c1cnn[n-]1 ZINC000618835395 369224021 /nfs/dbraw/zinc/22/40/21/369224021.db2.gz GPNJIEIAXKREGS-UHFFFAOYSA-N -1 3 206.205 0.636 20 0 BCADHM Cc1occc1CNC(=O)c1cn[n-]n1 ZINC000618835395 369224026 /nfs/dbraw/zinc/22/40/26/369224026.db2.gz GPNJIEIAXKREGS-UHFFFAOYSA-N -1 3 206.205 0.636 20 0 BCADHM O=C(NCC(O)(C1CC1)C1CC1)c1c[n-]nn1 ZINC000619028350 369260416 /nfs/dbraw/zinc/26/04/16/369260416.db2.gz QDZXTHBKEDUXKD-UHFFFAOYSA-N -1 3 236.275 0.086 20 0 BCADHM O=C(NCC(O)(C1CC1)C1CC1)c1cnn[n-]1 ZINC000619028350 369260419 /nfs/dbraw/zinc/26/04/19/369260419.db2.gz QDZXTHBKEDUXKD-UHFFFAOYSA-N -1 3 236.275 0.086 20 0 BCADHM O=C(NCC(O)(C1CC1)C1CC1)c1cn[n-]n1 ZINC000619028350 369260421 /nfs/dbraw/zinc/26/04/21/369260421.db2.gz QDZXTHBKEDUXKD-UHFFFAOYSA-N -1 3 236.275 0.086 20 0 BCADHM CN(CCO)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459304000 203252026 /nfs/dbraw/zinc/25/20/26/203252026.db2.gz GMZOYRDMQWXTIZ-UHFFFAOYSA-N -1 3 223.276 0.484 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)c2cn[nH]c2)[n-]1 ZINC000619448397 369368764 /nfs/dbraw/zinc/36/87/64/369368764.db2.gz PRGCYLYLLNFPKN-UHFFFAOYSA-N -1 3 249.230 0.562 20 0 BCADHM CCOC(=O)c1nc(NC(=O)c2cn[nH]c2)c[n-]1 ZINC000619448397 369368768 /nfs/dbraw/zinc/36/87/68/369368768.db2.gz PRGCYLYLLNFPKN-UHFFFAOYSA-N -1 3 249.230 0.562 20 0 BCADHM CCS(=O)(=O)[N-][C@H](C(=O)OC)C(C)(C)C ZINC000123248274 369478802 /nfs/dbraw/zinc/47/88/02/369478802.db2.gz CVFZKMVWNMJUNN-SSDOTTSWSA-N -1 3 237.321 0.513 20 0 BCADHM Cn1nncc1CC(=O)Nc1ncccc1[O-] ZINC000622505321 370968934 /nfs/dbraw/zinc/96/89/34/370968934.db2.gz ZBOGYUJCZNUMDD-UHFFFAOYSA-N -1 3 233.231 0.097 20 0 BCADHM CCCNC(=O)CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567858095 326271915 /nfs/dbraw/zinc/27/19/15/326271915.db2.gz VCMAQDHILLDMKD-ZJUUUORDSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)c1nccn1C ZINC000620595662 369947180 /nfs/dbraw/zinc/94/71/80/369947180.db2.gz JYIAAJGJOANGOG-LURJTMIESA-N -1 3 220.236 0.029 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1nccn1C ZINC000620595662 369947183 /nfs/dbraw/zinc/94/71/83/369947183.db2.gz JYIAAJGJOANGOG-LURJTMIESA-N -1 3 220.236 0.029 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)c1nccn1C ZINC000620595662 369947186 /nfs/dbraw/zinc/94/71/86/369947186.db2.gz JYIAAJGJOANGOG-LURJTMIESA-N -1 3 220.236 0.029 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000620877854 370031893 /nfs/dbraw/zinc/03/18/93/370031893.db2.gz GISXJIXLPBUUCZ-ZKCHVHJHSA-N -1 3 249.270 0.313 20 0 BCADHM O=C(NC[C@H]1CCCO1)c1cc(F)c[n-]c1=O ZINC000621253191 370186980 /nfs/dbraw/zinc/18/69/80/370186980.db2.gz VQNXJRIMLBRREW-MRVPVSSYSA-N -1 3 240.234 0.835 20 0 BCADHM COCCNC(=O)c1cc(F)c[n-]c1=O ZINC000621250765 370183670 /nfs/dbraw/zinc/18/36/70/370183670.db2.gz PVZQSIKFWKMHTG-UHFFFAOYSA-N -1 3 214.196 0.303 20 0 BCADHM CC(C)(C)OCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000308568534 370145636 /nfs/dbraw/zinc/14/56/36/370145636.db2.gz WEPTZCMBMPJJCA-UHFFFAOYSA-N -1 3 247.320 0.503 20 0 BCADHM CS[C@H](C)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000309674925 370242527 /nfs/dbraw/zinc/24/25/27/370242527.db2.gz LIMQECPUXJDEAV-MRVPVSSYSA-N -1 3 248.348 0.213 20 0 BCADHM COC[C@@H](C)CNC(=O)Cc1cncc([O-])c1 ZINC000568232598 326330635 /nfs/dbraw/zinc/33/06/35/326330635.db2.gz WLJQTECXXMBVAS-VIFPVBQESA-N -1 3 238.287 0.728 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@@H](O)C1 ZINC000621912046 370595267 /nfs/dbraw/zinc/59/52/67/370595267.db2.gz YQABQNRBAAHVFV-SSDOTTSWSA-N -1 3 226.207 0.133 20 0 BCADHM C[C@H](CCCO)NC(=O)c1cc(F)c[n-]c1=O ZINC000621916764 370598739 /nfs/dbraw/zinc/59/87/39/370598739.db2.gz YFKSFHGELRATQM-SSDOTTSWSA-N -1 3 242.250 0.817 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1C(=O)c1cc(F)c[n-]c1=O ZINC000621969046 370627666 /nfs/dbraw/zinc/62/76/66/370627666.db2.gz FDPSYUGLCFRSOT-HTRCEHHLSA-N -1 3 240.234 0.522 20 0 BCADHM C[C@]1(NC(=O)c2cc(F)c[n-]c2=O)CCOC1 ZINC000621933884 370607921 /nfs/dbraw/zinc/60/79/21/370607921.db2.gz YUOFNJPMRAELPR-NSHDSACASA-N -1 3 240.234 0.835 20 0 BCADHM FC(F)(F)CN=c1ncnc2[nH][n-]cc1-2 ZINC000623892048 371142544 /nfs/dbraw/zinc/14/25/44/371142544.db2.gz CAMHWEWLNKACMK-UHFFFAOYSA-N -1 3 217.154 0.701 20 0 BCADHM COc1ncccc1[N-]S(=O)(=O)N1CCC1 ZINC000572992759 326423597 /nfs/dbraw/zinc/42/35/97/326423597.db2.gz QHXCXMDVVBWYOF-UHFFFAOYSA-N -1 3 243.288 0.453 20 0 BCADHM O=S(=O)([N-]C1CC=CC1)c1c[nH]cn1 ZINC000131117380 371559018 /nfs/dbraw/zinc/55/90/18/371559018.db2.gz ZUNKNOMYSBGHPH-UHFFFAOYSA-N -1 3 213.262 0.407 20 0 BCADHM CCN(C[C@@H](C)OC)C(=O)c1cc(=O)[n-]cn1 ZINC000627448115 371625917 /nfs/dbraw/zinc/62/59/17/371625917.db2.gz ZVMFBYAMOCQZOV-MRVPVSSYSA-N -1 3 239.275 0.679 20 0 BCADHM CC(C)(CO)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000627578566 371747457 /nfs/dbraw/zinc/74/74/57/371747457.db2.gz FRNUBJCOZBXSEC-UHFFFAOYSA-N -1 3 239.275 0.321 20 0 BCADHM CN(CC(C)(C)CO)C(=O)c1cc(=O)[n-]cn1 ZINC000627586565 371763177 /nfs/dbraw/zinc/76/31/77/371763177.db2.gz DEWRBHGVNLHFQN-UHFFFAOYSA-N -1 3 239.275 0.273 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CNC(=O)C1 ZINC000627744568 371934732 /nfs/dbraw/zinc/93/47/32/371934732.db2.gz ULKRIAICNVALFX-SECBINFHSA-N -1 3 248.282 0.567 20 0 BCADHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1ccn(C)n1 ZINC000627724798 371896609 /nfs/dbraw/zinc/89/66/09/371896609.db2.gz HSXZIBWZFPKJRB-SSDOTTSWSA-N -1 3 247.258 0.407 20 0 BCADHM CC(=O)N[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000228273322 372010965 /nfs/dbraw/zinc/01/09/65/372010965.db2.gz LPXQBXOWKHVQKA-LLVKDONJSA-N -1 3 248.282 0.743 20 0 BCADHM CC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000228273762 372011153 /nfs/dbraw/zinc/01/11/53/372011153.db2.gz CMOIODRWHZIUNR-JTQLQIEISA-N -1 3 248.282 0.743 20 0 BCADHM C[C@@H]1SCC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627976491 372171706 /nfs/dbraw/zinc/17/17/06/372171706.db2.gz WWMZBHODWYWCAF-NKWVEPMBSA-N -1 3 239.300 0.806 20 0 BCADHM CCC(C)(C)[N-]S(=O)(=O)c1nncn1C ZINC000631644398 372478033 /nfs/dbraw/zinc/47/80/33/372478033.db2.gz GHIGYADVMJKZNF-UHFFFAOYSA-N -1 3 232.309 0.282 20 0 BCADHM COCC[C@@H](C)[N-]S(=O)(=O)c1conc1C ZINC000631870230 372673495 /nfs/dbraw/zinc/67/34/95/372673495.db2.gz IHXHOVMMYNQVOD-SSDOTTSWSA-N -1 3 248.304 0.686 20 0 BCADHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1nncn1C ZINC000631906375 372692022 /nfs/dbraw/zinc/69/20/22/372692022.db2.gz KPORXEDMRWVTMV-YUMQZZPRSA-N -1 3 244.320 0.282 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H](C)[C@@H](C)CO ZINC000632018152 372725610 /nfs/dbraw/zinc/72/56/10/372725610.db2.gz SVUOYDNSDAEHFF-NKWVEPMBSA-N -1 3 248.304 0.278 20 0 BCADHM CC[C@H](CCO)[N-]S(=O)(=O)c1conc1C ZINC000632021878 372728314 /nfs/dbraw/zinc/72/83/14/372728314.db2.gz UFOORLSDBYQKBO-MRVPVSSYSA-N -1 3 248.304 0.422 20 0 BCADHM O=c1[nH]cc(S(=O)(=O)[N-]CCC2CC2)s1 ZINC000632040782 372732573 /nfs/dbraw/zinc/73/25/73/372732573.db2.gz RFOSPQVVTFDFJE-UHFFFAOYSA-N -1 3 248.329 0.927 20 0 BCADHM CN(C)C1(CS(=O)(=O)[N-]CC(F)F)CC1 ZINC000632053764 372740804 /nfs/dbraw/zinc/74/08/04/372740804.db2.gz BOZJGCHSSASYAM-UHFFFAOYSA-N -1 3 242.291 0.265 20 0 BCADHM CC1CC([N-]S(=O)(=O)c2c[nH]c(=O)s2)C1 ZINC000632062325 372742944 /nfs/dbraw/zinc/74/29/44/372742944.db2.gz UNXRJCBEHDRZIJ-UHFFFAOYSA-N -1 3 248.329 0.926 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CC1(CO)CC1 ZINC000632061267 372743017 /nfs/dbraw/zinc/74/30/17/372743017.db2.gz LRGISIWVFIQEBX-UHFFFAOYSA-N -1 3 246.288 0.034 20 0 BCADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632301681 372870697 /nfs/dbraw/zinc/87/06/97/372870697.db2.gz KEWJBIOZADRCDP-PHDIDXHHSA-N -1 3 248.329 0.926 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@H](C)N(C)C ZINC000632417806 372927937 /nfs/dbraw/zinc/92/79/37/372927937.db2.gz ODZQPTUINHUKEH-ZETCQYMHSA-N -1 3 247.320 0.211 20 0 BCADHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1nncn1C ZINC000632439643 372943585 /nfs/dbraw/zinc/94/35/85/372943585.db2.gz DGHBSYDHUBICGS-JGVFFNPUSA-N -1 3 244.320 0.138 20 0 BCADHM O=C(C[C@H]1CCCC(=O)N1)Nc1ncccc1[O-] ZINC000289066640 182026253 /nfs/dbraw/zinc/02/62/53/182026253.db2.gz JLDPCJVFGZJOAA-MRVPVSSYSA-N -1 3 249.270 0.785 20 0 BCADHM CCOC(C)(C)C(=O)[N-]c1nncn1C ZINC000632481413 372966260 /nfs/dbraw/zinc/96/62/60/372966260.db2.gz RUYPBKRZLJJIAY-UHFFFAOYSA-N -1 3 212.253 0.569 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C)C1 ZINC000632504123 372975701 /nfs/dbraw/zinc/97/57/01/372975701.db2.gz USGJWEAOXYIGID-XPUUQOCRSA-N -1 3 246.288 0.439 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-][C@]1(C)CC1(C)C ZINC000632570450 373010741 /nfs/dbraw/zinc/01/07/41/373010741.db2.gz ZLOOULDKJVYBNF-SECBINFHSA-N -1 3 244.320 0.282 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CC(C)(C)F)n1 ZINC000632608099 373029722 /nfs/dbraw/zinc/02/97/22/373029722.db2.gz DBPZNGSTQCBNGM-UHFFFAOYSA-N -1 3 235.284 0.447 20 0 BCADHM CC1CC(C[N-]S(=O)(=O)c2nncn2C)C1 ZINC000632586047 373021432 /nfs/dbraw/zinc/02/14/32/373021432.db2.gz IVVSXNWXRGZCFJ-UHFFFAOYSA-N -1 3 244.320 0.140 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000632592153 373023842 /nfs/dbraw/zinc/02/38/42/373023842.db2.gz PUMCMBQSDGNTDB-UHFFFAOYSA-N -1 3 242.304 0.060 20 0 BCADHM CO[C@@H](CS(=O)(=O)[N-]C1(C)COC1)C1CC1 ZINC000632664654 373056937 /nfs/dbraw/zinc/05/69/37/373056937.db2.gz LZERVCIKSQEYAP-VIFPVBQESA-N -1 3 249.332 0.120 20 0 BCADHM CO[C@H](CS(=O)(=O)[N-]C1(C)COC1)C1CC1 ZINC000632664653 373057295 /nfs/dbraw/zinc/05/72/95/373057295.db2.gz LZERVCIKSQEYAP-SECBINFHSA-N -1 3 249.332 0.120 20 0 BCADHM O=C(Cn1cc(Cl)c(=O)[n-]c1=O)C(F)F ZINC000282442650 182065472 /nfs/dbraw/zinc/06/54/72/182065472.db2.gz GAABKCGXSPUUTK-UHFFFAOYSA-N -1 3 238.577 0.437 20 0 BCADHM O=C(Cn1ccccc1=O)Nc1ncccc1[O-] ZINC000041980963 182067525 /nfs/dbraw/zinc/06/75/25/182067525.db2.gz NCRWABVXVLKAMF-UHFFFAOYSA-N -1 3 245.238 0.588 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCCNC2=O)n1 ZINC000632787140 373140839 /nfs/dbraw/zinc/14/08/39/373140839.db2.gz SVSCTVXVBSYVDC-MRVPVSSYSA-N -1 3 249.270 0.560 20 0 BCADHM O=C(NCCCCO)c1ccc2n[n-]nc2c1 ZINC000193288172 182165885 /nfs/dbraw/zinc/16/58/85/182165885.db2.gz NWEZVJJOMXYTOV-UHFFFAOYSA-N -1 3 234.259 0.460 20 0 BCADHM O=C(NCCCCCCO)c1c[n-]nn1 ZINC000182245630 182160223 /nfs/dbraw/zinc/16/02/23/182160223.db2.gz ZBRPGPFKFOSDAV-UHFFFAOYSA-N -1 3 212.253 0.087 20 0 BCADHM O=C(NCCCCCCO)c1cnn[n-]1 ZINC000182245630 182160224 /nfs/dbraw/zinc/16/02/24/182160224.db2.gz ZBRPGPFKFOSDAV-UHFFFAOYSA-N -1 3 212.253 0.087 20 0 BCADHM O=C(NCCCCCCO)c1cn[n-]n1 ZINC000182245630 182160228 /nfs/dbraw/zinc/16/02/28/182160228.db2.gz ZBRPGPFKFOSDAV-UHFFFAOYSA-N -1 3 212.253 0.087 20 0 BCADHM CCC[C@@H](CCO)NC(=O)c1c[n-]nn1 ZINC000633825642 373777058 /nfs/dbraw/zinc/77/70/58/373777058.db2.gz SJLAVZCWYCTURK-ZETCQYMHSA-N -1 3 212.253 0.086 20 0 BCADHM CCC[C@@H](CCO)NC(=O)c1cnn[n-]1 ZINC000633825642 373777065 /nfs/dbraw/zinc/77/70/65/373777065.db2.gz SJLAVZCWYCTURK-ZETCQYMHSA-N -1 3 212.253 0.086 20 0 BCADHM CCC[C@@H](CCO)NC(=O)c1cn[n-]n1 ZINC000633825642 373777068 /nfs/dbraw/zinc/77/70/68/373777068.db2.gz SJLAVZCWYCTURK-ZETCQYMHSA-N -1 3 212.253 0.086 20 0 BCADHM O=C(NCCCc1ccccn1)c1c[n-]nn1 ZINC000178632019 182174959 /nfs/dbraw/zinc/17/49/59/182174959.db2.gz MSDXKGKDRXEEAB-UHFFFAOYSA-N -1 3 231.259 0.562 20 0 BCADHM O=C(NCCCc1ccccn1)c1cnn[n-]1 ZINC000178632019 182174960 /nfs/dbraw/zinc/17/49/60/182174960.db2.gz MSDXKGKDRXEEAB-UHFFFAOYSA-N -1 3 231.259 0.562 20 0 BCADHM O=C(NCCCc1ccccn1)c1cn[n-]n1 ZINC000178632019 182174961 /nfs/dbraw/zinc/17/49/61/182174961.db2.gz MSDXKGKDRXEEAB-UHFFFAOYSA-N -1 3 231.259 0.562 20 0 BCADHM O=C(NCCCc1nccs1)c1c[n-]nn1 ZINC000264115223 182177512 /nfs/dbraw/zinc/17/75/12/182177512.db2.gz KEHAWRZBJUORPJ-UHFFFAOYSA-N -1 3 237.288 0.624 20 0 BCADHM O=C(NCCCc1nccs1)c1cnn[n-]1 ZINC000264115223 182177514 /nfs/dbraw/zinc/17/75/14/182177514.db2.gz KEHAWRZBJUORPJ-UHFFFAOYSA-N -1 3 237.288 0.624 20 0 BCADHM O=C(NCCCc1nccs1)c1cn[n-]n1 ZINC000264115223 182177516 /nfs/dbraw/zinc/17/75/16/182177516.db2.gz KEHAWRZBJUORPJ-UHFFFAOYSA-N -1 3 237.288 0.624 20 0 BCADHM COc1cccc(C(=O)NC2(C)COC2)c1[O-] ZINC000634185718 373992731 /nfs/dbraw/zinc/99/27/31/373992731.db2.gz HUCLKSPKJBMQHF-UHFFFAOYSA-N -1 3 237.255 0.920 20 0 BCADHM O=C(NC[C@@H]1CCC(F)(F)C1)c1cnn[n-]1 ZINC000280631236 182223561 /nfs/dbraw/zinc/22/35/61/182223561.db2.gz AHTRSRGZKOKEEH-ZCFIWIBFSA-N -1 3 230.218 0.970 20 0 BCADHM O=C(NC[C@@H]1CCC(F)(F)C1)c1cn[n-]n1 ZINC000280631236 182223563 /nfs/dbraw/zinc/22/35/63/182223563.db2.gz AHTRSRGZKOKEEH-ZCFIWIBFSA-N -1 3 230.218 0.970 20 0 BCADHM CC(=O)c1ccc(C(=O)NC2COC2)cc1[O-] ZINC000634257722 374065360 /nfs/dbraw/zinc/06/53/60/374065360.db2.gz BVCILYZGDHPDPI-UHFFFAOYSA-N -1 3 235.239 0.723 20 0 BCADHM O=C(NC[C@@H]1CCC(F)(F)C1)c1c[n-]nn1 ZINC000280631236 182223560 /nfs/dbraw/zinc/22/35/60/182223560.db2.gz AHTRSRGZKOKEEH-ZCFIWIBFSA-N -1 3 230.218 0.970 20 0 BCADHM O=C(NC[C@@H]1CCSC1)c1c[n-]nn1 ZINC000228603017 182226133 /nfs/dbraw/zinc/22/61/33/182226133.db2.gz JVPOPHFJATVYKJ-LURJTMIESA-N -1 3 212.278 0.288 20 0 BCADHM O=C(NC[C@@H]1CCSC1)c1cnn[n-]1 ZINC000228603017 182226134 /nfs/dbraw/zinc/22/61/34/182226134.db2.gz JVPOPHFJATVYKJ-LURJTMIESA-N -1 3 212.278 0.288 20 0 BCADHM O=C(NC[C@@H]1CCSC1)c1cn[n-]n1 ZINC000228603017 182226135 /nfs/dbraw/zinc/22/61/35/182226135.db2.gz JVPOPHFJATVYKJ-LURJTMIESA-N -1 3 212.278 0.288 20 0 BCADHM O=C(NC[C@H]1CCOC1)c1c([O-])cccc1O ZINC000220232259 182244061 /nfs/dbraw/zinc/24/40/61/182244061.db2.gz BXHWXOPYSCFXGZ-MRVPVSSYSA-N -1 3 237.255 0.864 20 0 BCADHM O=C(NC[C@H]1Cc2ccccc2O1)c1c[n-]nn1 ZINC000108454153 182247515 /nfs/dbraw/zinc/24/75/15/182247515.db2.gz QAHXAYOZYOJCKA-SECBINFHSA-N -1 3 244.254 0.538 20 0 BCADHM O=C(NC[C@H]1Cc2ccccc2O1)c1cnn[n-]1 ZINC000108454153 182247516 /nfs/dbraw/zinc/24/75/16/182247516.db2.gz QAHXAYOZYOJCKA-SECBINFHSA-N -1 3 244.254 0.538 20 0 BCADHM O=C(NC[C@H]1Cc2ccccc2O1)c1cn[n-]n1 ZINC000108454153 182247517 /nfs/dbraw/zinc/24/75/17/182247517.db2.gz QAHXAYOZYOJCKA-SECBINFHSA-N -1 3 244.254 0.538 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1c[n-]nn1 ZINC000634503209 374278232 /nfs/dbraw/zinc/27/82/32/374278232.db2.gz SHTXXYUUJDSTRK-QWWZWVQMSA-N -1 3 220.154 0.485 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1cnn[n-]1 ZINC000634503209 374278238 /nfs/dbraw/zinc/27/82/38/374278238.db2.gz SHTXXYUUJDSTRK-QWWZWVQMSA-N -1 3 220.154 0.485 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1cn[n-]n1 ZINC000634503209 374278244 /nfs/dbraw/zinc/27/82/44/374278244.db2.gz SHTXXYUUJDSTRK-QWWZWVQMSA-N -1 3 220.154 0.485 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1O)c1csc(=O)[n-]1 ZINC000634413732 374243764 /nfs/dbraw/zinc/24/37/64/374243764.db2.gz HMLXDLYGEWYJFZ-FSPLSTOPSA-N -1 3 228.273 0.492 20 0 BCADHM O=C(NCc1ncccc1[O-])c1ccc(=O)[nH]c1 ZINC000352500026 182273457 /nfs/dbraw/zinc/27/34/57/182273457.db2.gz ITZIOWLUDIHVMB-UHFFFAOYSA-N -1 3 245.238 0.818 20 0 BCADHM O=C(NCc1ncccc1[O-])c1cnccn1 ZINC000352518063 182274011 /nfs/dbraw/zinc/27/40/11/182274011.db2.gz VCKWVHPJGJFGIR-UHFFFAOYSA-N -1 3 230.227 0.507 20 0 BCADHM O=C([N-]OC1CCCC1)c1ccc(=O)[nH]c1 ZINC000135144876 182281446 /nfs/dbraw/zinc/28/14/46/182281446.db2.gz QRTGRWMORYRJSB-UHFFFAOYSA-N -1 3 222.244 0.979 20 0 BCADHM O=C(N[C@@H]1CCCCNC1=O)c1ccccc1[O-] ZINC000179141483 182292520 /nfs/dbraw/zinc/29/25/20/182292520.db2.gz RWAIOMQGIRSUGL-SNVBAGLBSA-N -1 3 248.282 0.791 20 0 BCADHM O=C([N-][C@@H]1CCCCNC1=O)C(F)F ZINC000236137829 182292529 /nfs/dbraw/zinc/29/25/29/182292529.db2.gz YDSXCKCZFCEPGL-RXMQYKEDSA-N -1 3 206.192 0.036 20 0 BCADHM O=C(N[C@@H]1CCCSC1)c1c[n-]nn1 ZINC000129141961 182296370 /nfs/dbraw/zinc/29/63/70/182296370.db2.gz GJNQRFUSGHVFEU-ZCFIWIBFSA-N -1 3 212.278 0.430 20 0 BCADHM O=C(N[C@@H]1CCCSC1)c1cnn[n-]1 ZINC000129141961 182296372 /nfs/dbraw/zinc/29/63/72/182296372.db2.gz GJNQRFUSGHVFEU-ZCFIWIBFSA-N -1 3 212.278 0.430 20 0 BCADHM O=C(N[C@@H]1CCCSC1)c1cn[n-]n1 ZINC000129141961 182296373 /nfs/dbraw/zinc/29/63/73/182296373.db2.gz GJNQRFUSGHVFEU-ZCFIWIBFSA-N -1 3 212.278 0.430 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1OC(F)F)c1c[n-]nn1 ZINC000337586472 182300958 /nfs/dbraw/zinc/30/09/58/182300958.db2.gz FOFBOOMKYKICQF-IYSWYEEDSA-N -1 3 246.217 0.695 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1OC(F)F)c1cnn[n-]1 ZINC000337586472 182300961 /nfs/dbraw/zinc/30/09/61/182300961.db2.gz FOFBOOMKYKICQF-IYSWYEEDSA-N -1 3 246.217 0.695 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1OC(F)F)c1cn[n-]n1 ZINC000337586472 182300963 /nfs/dbraw/zinc/30/09/63/182300963.db2.gz FOFBOOMKYKICQF-IYSWYEEDSA-N -1 3 246.217 0.695 20 0 BCADHM O=C(N[C@@H]1CCc2c1cccc2O)c1c[n-]nn1 ZINC000111605440 182313337 /nfs/dbraw/zinc/31/33/37/182313337.db2.gz FGJRTGNJWFQWGD-SECBINFHSA-N -1 3 244.254 0.928 20 0 BCADHM O=C(N[C@@H]1CCc2c1cccc2O)c1cnn[n-]1 ZINC000111605440 182313339 /nfs/dbraw/zinc/31/33/39/182313339.db2.gz FGJRTGNJWFQWGD-SECBINFHSA-N -1 3 244.254 0.928 20 0 BCADHM O=C(N[C@@H]1CCc2c1cccc2O)c1cn[n-]n1 ZINC000111605440 182313342 /nfs/dbraw/zinc/31/33/42/182313342.db2.gz FGJRTGNJWFQWGD-SECBINFHSA-N -1 3 244.254 0.928 20 0 BCADHM O=C(N[C@H](CCO)c1ccccc1)c1c[n-]nn1 ZINC000128692853 182321916 /nfs/dbraw/zinc/32/19/16/182321916.db2.gz QMADGBAAYFGZQW-SNVBAGLBSA-N -1 3 246.270 0.658 20 0 BCADHM O=C(N[C@H](CCO)c1ccccc1)c1cnn[n-]1 ZINC000128692853 182321918 /nfs/dbraw/zinc/32/19/18/182321918.db2.gz QMADGBAAYFGZQW-SNVBAGLBSA-N -1 3 246.270 0.658 20 0 BCADHM O=C(N[C@H](CCO)c1ccccc1)c1cn[n-]n1 ZINC000128692853 182321919 /nfs/dbraw/zinc/32/19/19/182321919.db2.gz QMADGBAAYFGZQW-SNVBAGLBSA-N -1 3 246.270 0.658 20 0 BCADHM O=C(Nc1cccc2[nH]c(=O)oc21)c1nc[n-]n1 ZINC000356815016 182374707 /nfs/dbraw/zinc/37/47/07/182374707.db2.gz LYHSRNJCSQFWPS-UHFFFAOYSA-N -1 3 245.198 0.904 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1nnc[nH]1 ZINC000367699529 182399170 /nfs/dbraw/zinc/39/91/70/182399170.db2.gz QRUHIEIISFTKAL-RNFRBKRXSA-N -1 3 245.242 0.648 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000367699529 182399172 /nfs/dbraw/zinc/39/91/72/182399172.db2.gz QRUHIEIISFTKAL-RNFRBKRXSA-N -1 3 245.242 0.648 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1occ2c1CCOC2 ZINC000367150290 182399244 /nfs/dbraw/zinc/39/92/44/182399244.db2.gz DGAHWHUBQOGWOI-UHFFFAOYSA-N -1 3 234.215 0.723 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CCCCN1 ZINC000082259259 182399984 /nfs/dbraw/zinc/39/99/84/182399984.db2.gz RUBZYQCHKQAUFY-QMMMGPOBSA-N -1 3 221.260 0.868 20 0 BCADHM Oc1[n-]c(NCc2ccco2)nc2nncc1-2 ZINC000134179390 183009052 /nfs/dbraw/zinc/00/90/52/183009052.db2.gz LFRDAVIYXATTCP-UHFFFAOYSA-N -1 3 231.215 0.851 20 0 BCADHM O=c1[n-]c(CN[C@@H]2CCC[C@H]2CCO)n[nH]1 ZINC000336672855 183095504 /nfs/dbraw/zinc/09/55/04/183095504.db2.gz JHQVGXFHNAUBLK-JGVFFNPUSA-N -1 3 226.280 0.151 20 0 BCADHM CCCC[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)[O-] ZINC000040482370 169010235 /nfs/dbraw/zinc/01/02/35/169010235.db2.gz SKJZIPYDMKILIZ-UWVGGRQHSA-N -1 3 242.319 0.888 20 0 BCADHM [O-]c1cc(F)cc(CN[C@@H]2COC[C@H]2O)c1 ZINC000295703447 183259655 /nfs/dbraw/zinc/25/96/55/183259655.db2.gz UFLQCCBGXGLQAA-GHMZBOCLSA-N -1 3 227.235 0.381 20 0 BCADHM [O-]c1cc(F)cc(CNCCn2cncn2)c1 ZINC000274396335 183259746 /nfs/dbraw/zinc/25/97/46/183259746.db2.gz DNVCZPPBQIGHDV-UHFFFAOYSA-N -1 3 236.250 0.913 20 0 BCADHM CCCNS(=O)(=O)[N-][C@H](C)c1nc(C)no1 ZINC000331115372 169272666 /nfs/dbraw/zinc/27/26/66/169272666.db2.gz DIRRBKMJEGUPKR-ZCFIWIBFSA-N -1 3 248.308 0.273 20 0 BCADHM CCCS(=O)(=O)[N-]C(C)(C)c1nc(C)no1 ZINC000340730420 169331751 /nfs/dbraw/zinc/33/17/51/169331751.db2.gz COCMJKVGSKDYPR-UHFFFAOYSA-N -1 3 247.320 0.943 20 0 BCADHM CCC[C@@H](CC)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000123688773 169376590 /nfs/dbraw/zinc/37/65/90/169376590.db2.gz IPXLZKLHGWTDHF-SFYZADRCSA-N -1 3 241.291 0.279 20 0 BCADHM CCc1ccc([O-])c(C(=O)N2CCNC(=O)C2)c1 ZINC000195437462 259605987 /nfs/dbraw/zinc/60/59/87/259605987.db2.gz XXQPKVZKYOLAEO-UHFFFAOYSA-N -1 3 248.282 0.527 20 0 BCADHM CC[C@H](CO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000035202178 383841156 /nfs/dbraw/zinc/84/11/56/383841156.db2.gz UTEZMPOHTFCBMZ-MRVPVSSYSA-N -1 3 234.259 0.459 20 0 BCADHM CC(C)CCCNC(=O)CN1CC(=O)[N-]C1=O ZINC000111561390 383869044 /nfs/dbraw/zinc/86/90/44/383869044.db2.gz DAYMIXUWMCNFHW-UHFFFAOYSA-N -1 3 241.291 0.091 20 0 BCADHM CC[C@@H](C)[C@H](C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000111579981 383869542 /nfs/dbraw/zinc/86/95/42/383869542.db2.gz KMJMUCZHGJXUBC-SFYZADRCSA-N -1 3 241.291 0.089 20 0 BCADHM CC[C@@H](C)CN(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000111629060 383873470 /nfs/dbraw/zinc/87/34/70/383873470.db2.gz LSXQINFKMQOJEM-MRVPVSSYSA-N -1 3 241.291 0.043 20 0 BCADHM O=c1[n-]c(=O)n(CCCF)cc1Cl ZINC000088026587 383874242 /nfs/dbraw/zinc/87/42/42/383874242.db2.gz OGUAJSVUADCSOU-UHFFFAOYSA-N -1 3 206.604 0.550 20 0 BCADHM CCCO[N-]C(=O)CCCNC(=O)OCC ZINC000497123280 383983981 /nfs/dbraw/zinc/98/39/81/383983981.db2.gz CMVUVBYGKPREBY-UHFFFAOYSA-N -1 3 232.280 0.971 20 0 BCADHM O=C(N[C@H]1CCC(=O)NC1)c1ccccc1[O-] ZINC000070162108 384083504 /nfs/dbraw/zinc/08/35/04/384083504.db2.gz IZNZFIDJUCPSIV-QMMMGPOBSA-N -1 3 234.255 0.401 20 0 BCADHM O=c1[n-]c(=O)n(CCn2cccn2)cc1Cl ZINC000091329617 384085451 /nfs/dbraw/zinc/08/54/51/384085451.db2.gz WCBIBNUPOPBVRL-UHFFFAOYSA-N -1 3 240.650 0.087 20 0 BCADHM CCOCCCn1cc(Cl)c(=O)[n-]c1=O ZINC000091329594 384085930 /nfs/dbraw/zinc/08/59/30/384085930.db2.gz SGEBLXDIBQXSNB-UHFFFAOYSA-N -1 3 232.667 0.617 20 0 BCADHM CC(C)[C@@](C)(NCc1ncccc1[O-])C(N)=O ZINC000569469136 384090410 /nfs/dbraw/zinc/09/04/10/384090410.db2.gz NUQLSVVHSRKAEZ-GFCCVEGCSA-N -1 3 237.303 0.777 20 0 BCADHM Cc1nnc(Sc2nnc(CO)[n-]2)nc1C ZINC000530478868 384118453 /nfs/dbraw/zinc/11/84/53/384118453.db2.gz MOISVBBNNWOEJS-UHFFFAOYSA-N -1 3 238.276 0.250 20 0 BCADHM Cc1nnc(Sc2nc(CO)n[n-]2)nc1C ZINC000530478868 384118461 /nfs/dbraw/zinc/11/84/61/384118461.db2.gz MOISVBBNNWOEJS-UHFFFAOYSA-N -1 3 238.276 0.250 20 0 BCADHM Cc1nnc(Sc2n[n-]c(CO)n2)nc1C ZINC000530478868 384118465 /nfs/dbraw/zinc/11/84/65/384118465.db2.gz MOISVBBNNWOEJS-UHFFFAOYSA-N -1 3 238.276 0.250 20 0 BCADHM C[N-]S(=O)(=O)c1sc(C)nc1C ZINC000039320888 384111151 /nfs/dbraw/zinc/11/11/51/384111151.db2.gz RKDROQCKZRCEMF-UHFFFAOYSA-N -1 3 206.292 0.668 20 0 BCADHM Cc1ccc([O-])c(CN2CCn3cnnc3C2)n1 ZINC000156046167 384094222 /nfs/dbraw/zinc/09/42/22/384094222.db2.gz GCYBVXOYWANBSB-UHFFFAOYSA-N -1 3 245.286 0.703 20 0 BCADHM COC[C@@H](O)CNC(=O)c1ccccc1[O-] ZINC000070589339 384121323 /nfs/dbraw/zinc/12/13/23/384121323.db2.gz VUEGQYXZRVFCIW-QMMMGPOBSA-N -1 3 225.244 0.129 20 0 BCADHM COC[C@H](O)CNC(=O)c1cccc([O-])c1 ZINC000070589620 384122067 /nfs/dbraw/zinc/12/20/67/384122067.db2.gz MITTZOFCZINGGX-SNVBAGLBSA-N -1 3 225.244 0.129 20 0 BCADHM COCC[C@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000080692609 384174380 /nfs/dbraw/zinc/17/43/80/384174380.db2.gz FGWCUFMRSPCIKC-ZETCQYMHSA-N -1 3 233.293 0.113 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CC[C@@H](O)C1 ZINC000092124731 384165079 /nfs/dbraw/zinc/16/50/79/384165079.db2.gz MKOPOCQHXMJBIW-SSDOTTSWSA-N -1 3 223.228 0.305 20 0 BCADHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)C1CC1 ZINC000080936153 384177744 /nfs/dbraw/zinc/17/77/44/384177744.db2.gz BOLVBLIWFCTGPU-SECBINFHSA-N -1 3 249.332 0.656 20 0 BCADHM C[C@H](NC(=O)c1cccc([O-])c1)C(=O)N(C)C ZINC000042573687 384231019 /nfs/dbraw/zinc/23/10/19/384231019.db2.gz YNQMVERFPIDKEF-QMMMGPOBSA-N -1 3 236.271 0.599 20 0 BCADHM CN(C)S(=O)(=O)Nc1ccc(F)cc1[O-] ZINC000082523923 384234027 /nfs/dbraw/zinc/23/40/27/384234027.db2.gz GOPZSGOUHKCDOS-UHFFFAOYSA-N -1 3 234.252 0.750 20 0 BCADHM CC(=O)NCC(=O)NCc1ccc([O-])c(F)c1 ZINC000132777883 384250677 /nfs/dbraw/zinc/25/06/77/384250677.db2.gz AWCRUTWVVZMOAH-UHFFFAOYSA-N -1 3 240.234 0.284 20 0 BCADHM C[C@]1(NC(=O)c2ccc3n[n-]nc3c2)CCOC1 ZINC000157206110 384305541 /nfs/dbraw/zinc/30/55/41/384305541.db2.gz QMQGPOTYCNQLEN-LBPRGKRZSA-N -1 3 246.270 0.867 20 0 BCADHM CCO[N-]C(=O)[C@@H](CN)c1ccccc1 ZINC000083116631 384281875 /nfs/dbraw/zinc/28/18/75/384281875.db2.gz OJDMNIOUNHLHRP-JTQLQIEISA-N -1 3 208.261 0.797 20 0 BCADHM CCO[N-]C(=O)[C@H](CN)c1ccccc1 ZINC000083116632 384282479 /nfs/dbraw/zinc/28/24/79/384282479.db2.gz OJDMNIOUNHLHRP-SNVBAGLBSA-N -1 3 208.261 0.797 20 0 BCADHM CSCC(=O)Nc1nnc(SC)[n-]1 ZINC000299564488 384286793 /nfs/dbraw/zinc/28/67/93/384286793.db2.gz SQFDWSDUMSWWPC-UHFFFAOYSA-N -1 3 218.307 0.828 20 0 BCADHM CSCC(=O)Nc1nc(SC)n[n-]1 ZINC000299564488 384286798 /nfs/dbraw/zinc/28/67/98/384286798.db2.gz SQFDWSDUMSWWPC-UHFFFAOYSA-N -1 3 218.307 0.828 20 0 BCADHM CSCC(=O)Nc1n[n-]c(SC)n1 ZINC000299564488 384286804 /nfs/dbraw/zinc/28/68/04/384286804.db2.gz SQFDWSDUMSWWPC-UHFFFAOYSA-N -1 3 218.307 0.828 20 0 BCADHM C[C@@H](CO)CNC(=O)c1ccccc1[O-] ZINC000083216911 384290835 /nfs/dbraw/zinc/29/08/35/384290835.db2.gz PNKSLRIDVWURBA-MRVPVSSYSA-N -1 3 209.245 0.750 20 0 BCADHM CC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)[C@@H](C)O ZINC000334101753 384345422 /nfs/dbraw/zinc/34/54/22/384345422.db2.gz GKEALNHCBVXMEL-VXNVDRBHSA-N -1 3 248.286 0.847 20 0 BCADHM O=C(Nc1cnc(CC2CC2)nc1)c1cnn[n-]1 ZINC000560764454 384346759 /nfs/dbraw/zinc/34/67/59/384346759.db2.gz SIWMDXDZUATDFS-UHFFFAOYSA-N -1 3 244.258 0.800 20 0 BCADHM O=C(Nc1cnc(CC2CC2)nc1)c1c[n-]nn1 ZINC000560764454 384346761 /nfs/dbraw/zinc/34/67/61/384346761.db2.gz SIWMDXDZUATDFS-UHFFFAOYSA-N -1 3 244.258 0.800 20 0 BCADHM O=C(Nc1cnc(CC2CC2)nc1)c1cn[n-]n1 ZINC000560764454 384346764 /nfs/dbraw/zinc/34/67/64/384346764.db2.gz SIWMDXDZUATDFS-UHFFFAOYSA-N -1 3 244.258 0.800 20 0 BCADHM C[C@H](C(=O)[O-])C(=O)NCCN1CCC[C@@H](C)C1 ZINC000647116860 384358367 /nfs/dbraw/zinc/35/83/67/384358367.db2.gz LXYCYSIHLSXPPZ-ZJUUUORDSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@H](C(=O)[O-])C(=O)NCCN1CCC[C@H](C)C1 ZINC000647116858 384359112 /nfs/dbraw/zinc/35/91/12/384359112.db2.gz LXYCYSIHLSXPPZ-UWVGGRQHSA-N -1 3 242.319 0.555 20 0 BCADHM CN(C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095318958 384369671 /nfs/dbraw/zinc/36/96/71/384369671.db2.gz FLSHXDULLBZOFT-UHFFFAOYSA-N -1 3 246.274 0.367 20 0 BCADHM CN(C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095318958 384369677 /nfs/dbraw/zinc/36/96/77/384369677.db2.gz FLSHXDULLBZOFT-UHFFFAOYSA-N -1 3 246.274 0.367 20 0 BCADHM CC[C@H](CO)NC(=O)c1cccc([O-])c1 ZINC000035102487 384395736 /nfs/dbraw/zinc/39/57/36/384395736.db2.gz STUGBWUUTIXYNP-SECBINFHSA-N -1 3 209.245 0.893 20 0 BCADHM Cc1ccc(C(=O)NCCCO)c([O-])c1 ZINC000035102412 384396703 /nfs/dbraw/zinc/39/67/03/384396703.db2.gz BWLAQUMVNCSNAS-UHFFFAOYSA-N -1 3 209.245 0.813 20 0 BCADHM O=S(=O)(Cc1ccon1)[N-]C[C@H]1CCCO1 ZINC000078050775 384428474 /nfs/dbraw/zinc/42/84/74/384428474.db2.gz JNUBAEDADKTCQA-SECBINFHSA-N -1 3 246.288 0.273 20 0 BCADHM Oc1[n-]c(N2CCC[C@@H]2CF)nc2nncc1-2 ZINC000292846667 384438625 /nfs/dbraw/zinc/43/86/25/384438625.db2.gz QWLIXLMMMFKQSJ-ZCFIWIBFSA-N -1 3 237.238 0.997 20 0 BCADHM COC(=O)CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000048402180 384490026 /nfs/dbraw/zinc/49/00/26/384490026.db2.gz AGLIBFBINCCYFV-UHFFFAOYSA-N -1 3 237.255 0.912 20 0 BCADHM NC(=O)CO[N-]C(=O)/C=C/c1ccccc1 ZINC000181530281 384520502 /nfs/dbraw/zinc/52/05/02/384520502.db2.gz WDUFPDNMHWSUDP-VOTSOKGWSA-N -1 3 220.228 0.233 20 0 BCADHM C[C@@H](O)CC(C)(C)CNC(=O)c1c[n-]nn1 ZINC000176106890 384548597 /nfs/dbraw/zinc/54/85/97/384548597.db2.gz ZHPQZQGXMFMXAH-SSDOTTSWSA-N -1 3 226.280 0.332 20 0 BCADHM C[C@@H](O)CC(C)(C)CNC(=O)c1cnn[n-]1 ZINC000176106890 384548601 /nfs/dbraw/zinc/54/86/01/384548601.db2.gz ZHPQZQGXMFMXAH-SSDOTTSWSA-N -1 3 226.280 0.332 20 0 BCADHM C[C@@H](O)CC(C)(C)CNC(=O)c1cn[n-]n1 ZINC000176106890 384548608 /nfs/dbraw/zinc/54/86/08/384548608.db2.gz ZHPQZQGXMFMXAH-SSDOTTSWSA-N -1 3 226.280 0.332 20 0 BCADHM Cc1n[nH]cc1CNC(=O)Cc1cncc([O-])c1 ZINC000561168691 384541022 /nfs/dbraw/zinc/54/10/22/384541022.db2.gz KIDZVUVLYHBHOK-UHFFFAOYSA-N -1 3 246.270 0.678 20 0 BCADHM COCc1cc(C(=O)[N-]c2cnns2)no1 ZINC000530540266 384541524 /nfs/dbraw/zinc/54/15/24/384541524.db2.gz PRWBPEVBDKRLSH-UHFFFAOYSA-N -1 3 240.244 0.925 20 0 BCADHM O=C(NCc1c[nH]cn1)c1c([O-])cccc1O ZINC000220244061 384567300 /nfs/dbraw/zinc/56/73/00/384567300.db2.gz KOKMTIHPGWQOLC-UHFFFAOYSA-N -1 3 233.227 0.751 20 0 BCADHM CCCN(CCO)C(=O)c1ccc2n[n-]nc2c1 ZINC000042239708 384635103 /nfs/dbraw/zinc/63/51/03/384635103.db2.gz OXTNDHRLTXPZTA-UHFFFAOYSA-N -1 3 248.286 0.802 20 0 BCADHM COc1cc(C(=O)NC(C)(C)CO)ccc1[O-] ZINC000082265684 384656900 /nfs/dbraw/zinc/65/69/00/384656900.db2.gz CXHUDNNFUCSOFI-UHFFFAOYSA-N -1 3 239.271 0.902 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)c1cnn(C)c1 ZINC000124874786 384683244 /nfs/dbraw/zinc/68/32/44/384683244.db2.gz AZHNVQGHTPUYAP-LURJTMIESA-N -1 3 220.236 0.029 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)c1cnn(C)c1 ZINC000124874786 384683248 /nfs/dbraw/zinc/68/32/48/384683248.db2.gz AZHNVQGHTPUYAP-LURJTMIESA-N -1 3 220.236 0.029 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1cnn(C)c1 ZINC000124874786 384683253 /nfs/dbraw/zinc/68/32/53/384683253.db2.gz AZHNVQGHTPUYAP-LURJTMIESA-N -1 3 220.236 0.029 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)C(=O)OC(C)(C)C ZINC000124961782 384684981 /nfs/dbraw/zinc/68/49/81/384684981.db2.gz UNMWKUOZPQMQOQ-LURJTMIESA-N -1 3 240.263 0.265 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)C(=O)OC(C)(C)C ZINC000124961782 384684987 /nfs/dbraw/zinc/68/49/87/384684987.db2.gz UNMWKUOZPQMQOQ-LURJTMIESA-N -1 3 240.263 0.265 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)C(=O)OC(C)(C)C ZINC000124961782 384684993 /nfs/dbraw/zinc/68/49/93/384684993.db2.gz UNMWKUOZPQMQOQ-LURJTMIESA-N -1 3 240.263 0.265 20 0 BCADHM CN(CCC(N)=O)Cc1cc([O-])cc(F)c1 ZINC000289550567 384689581 /nfs/dbraw/zinc/68/95/81/384689581.db2.gz INVFLSJSGJBPCV-UHFFFAOYSA-N -1 3 226.251 0.839 20 0 BCADHM Cn1cnnc1[N-]C(=O)c1noc2c1CCCC2 ZINC000162995176 384715676 /nfs/dbraw/zinc/71/56/76/384715676.db2.gz HBIBURRLSCPMHL-UHFFFAOYSA-N -1 3 247.258 0.934 20 0 BCADHM CCN(CCO)C(=O)c1ccccc1[O-] ZINC000011639287 384729251 /nfs/dbraw/zinc/72/92/51/384729251.db2.gz OHGKKIPOYQSQBX-UHFFFAOYSA-N -1 3 209.245 0.847 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](C)CO ZINC000083220142 384753741 /nfs/dbraw/zinc/75/37/41/384753741.db2.gz MWZDIWFKDWFQIQ-ZCFIWIBFSA-N -1 3 248.304 0.198 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@H](C)SC ZINC000559237907 384832565 /nfs/dbraw/zinc/83/25/65/384832565.db2.gz YCVDGAIIEWXOIW-YFKPBYRVSA-N -1 3 243.288 0.886 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@H](C)SC ZINC000559237907 384832573 /nfs/dbraw/zinc/83/25/73/384832573.db2.gz YCVDGAIIEWXOIW-YFKPBYRVSA-N -1 3 243.288 0.886 20 0 BCADHM COC(=O)C1(CN=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000362697852 384793849 /nfs/dbraw/zinc/79/38/49/384793849.db2.gz LROPTCYMXZKQGR-UHFFFAOYSA-N -1 3 247.258 0.092 20 0 BCADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1c[n-]nn1 ZINC000334714329 384877801 /nfs/dbraw/zinc/87/78/01/384877801.db2.gz NDZIBUFLPYZEQQ-PSASIEDQSA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cnn[n-]1 ZINC000334714329 384877805 /nfs/dbraw/zinc/87/78/05/384877805.db2.gz NDZIBUFLPYZEQQ-PSASIEDQSA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cn[n-]n1 ZINC000334714329 384877808 /nfs/dbraw/zinc/87/78/08/384877808.db2.gz NDZIBUFLPYZEQQ-PSASIEDQSA-N -1 3 208.265 0.969 20 0 BCADHM O=S(=O)([N-]CC1COC1)c1cscn1 ZINC000528564741 384884009 /nfs/dbraw/zinc/88/40/09/384884009.db2.gz OEZUJRBERURHHL-UHFFFAOYSA-N -1 3 234.302 0.068 20 0 BCADHM CO[N-]C(=O)Cc1ccc2c(c1)CCO2 ZINC000054721516 384848681 /nfs/dbraw/zinc/84/86/81/384848681.db2.gz WKNSZYBIXJHHFW-UHFFFAOYSA-N -1 3 207.229 0.842 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccco1 ZINC000524384365 384865404 /nfs/dbraw/zinc/86/54/04/384865404.db2.gz AGOCMFUNQFFSDR-QMMMGPOBSA-N -1 3 235.243 0.521 20 0 BCADHM Cc1ccc(CC(=O)[N-]OCCCO)cc1 ZINC000127397146 384893551 /nfs/dbraw/zinc/89/35/51/384893551.db2.gz LINWQWNRQPYDLG-UHFFFAOYSA-N -1 3 223.272 0.968 20 0 BCADHM COC[C@@H]([N-]S(C)(=O)=O)c1ccco1 ZINC000175355325 384899213 /nfs/dbraw/zinc/89/92/13/384899213.db2.gz JAJPZJROEVUYBB-SSDOTTSWSA-N -1 3 219.262 0.516 20 0 BCADHM CC=CC=CC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000491873344 384947778 /nfs/dbraw/zinc/94/77/78/384947778.db2.gz SOCHKYWUUUOGJL-MGCXLJFFSA-N -1 3 235.287 0.747 20 0 BCADHM O=C(N[C@@H]1CCOC1)c1ccccc1[O-] ZINC000087787259 385004651 /nfs/dbraw/zinc/00/46/51/385004651.db2.gz UHPYZUTYMQYENW-MRVPVSSYSA-N -1 3 207.229 0.911 20 0 BCADHM C[C@H](CCO)[N-]S(=O)(=O)c1ccco1 ZINC000188714473 385084460 /nfs/dbraw/zinc/08/44/60/385084460.db2.gz NAIGOBNMKQGPMJ-SSDOTTSWSA-N -1 3 219.262 0.329 20 0 BCADHM O=S(=O)([N-]C[C@H]1CCCOC1)c1ccco1 ZINC000188620530 385072494 /nfs/dbraw/zinc/07/24/94/385072494.db2.gz FZUXMYFNXIHEAW-SECBINFHSA-N -1 3 245.300 0.985 20 0 BCADHM O=S(=O)([N-]CC1(O)CCCC1)c1ccco1 ZINC000188706135 385080408 /nfs/dbraw/zinc/08/04/08/385080408.db2.gz ANUCFNWADBTLSP-UHFFFAOYSA-N -1 3 245.300 0.863 20 0 BCADHM O=c1[n-]c(SCc2ccon2)nc2[nH]ncc21 ZINC000156935179 385027900 /nfs/dbraw/zinc/02/79/00/385027900.db2.gz HHSUVAYKZUSPEY-UHFFFAOYSA-N -1 3 249.255 0.927 20 0 BCADHM COC(=O)[C@H](CC(C)C)NC(=O)c1c[n-]nn1 ZINC000108286543 385029778 /nfs/dbraw/zinc/02/97/78/385029778.db2.gz MSTAPLVYZLPLGH-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM COC(=O)[C@H](CC(C)C)NC(=O)c1cnn[n-]1 ZINC000108286543 385029780 /nfs/dbraw/zinc/02/97/80/385029780.db2.gz MSTAPLVYZLPLGH-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM COC(=O)[C@H](CC(C)C)NC(=O)c1cn[n-]n1 ZINC000108286543 385029785 /nfs/dbraw/zinc/02/97/85/385029785.db2.gz MSTAPLVYZLPLGH-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccco1 ZINC000188716594 385083281 /nfs/dbraw/zinc/08/32/81/385083281.db2.gz QGOURFRHDYRVIG-DTWKUNHWSA-N -1 3 247.316 0.965 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)[C@@H]1CCCO1 ZINC000088342126 385108359 /nfs/dbraw/zinc/10/83/59/385108359.db2.gz PAVLZKSKDJGECA-XPUUQOCRSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)[C@@H]1CCCO1 ZINC000088342126 385108364 /nfs/dbraw/zinc/10/83/64/385108364.db2.gz PAVLZKSKDJGECA-XPUUQOCRSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CCCO1 ZINC000088342126 385108371 /nfs/dbraw/zinc/10/83/71/385108371.db2.gz PAVLZKSKDJGECA-XPUUQOCRSA-N -1 3 210.237 0.102 20 0 BCADHM CN(C)C[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000061652172 385129788 /nfs/dbraw/zinc/12/97/88/385129788.db2.gz XZOFSMSNJGXIFK-SNVBAGLBSA-N -1 3 249.314 0.953 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H](O)C1 ZINC000061704192 385131845 /nfs/dbraw/zinc/13/18/45/385131845.db2.gz PNCAQKPLQVTWIF-MRVPVSSYSA-N -1 3 223.228 0.305 20 0 BCADHM O=S(=O)([N-][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccco1 ZINC000188761046 385086025 /nfs/dbraw/zinc/08/60/25/385086025.db2.gz GRGTZRLJIGMEMA-HLTSFMKQSA-N -1 3 243.284 0.878 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCCCCO ZINC000557680496 385092160 /nfs/dbraw/zinc/09/21/60/385092160.db2.gz FNOZWDXPDHXNIF-UHFFFAOYSA-N -1 3 224.260 0.218 20 0 BCADHM O=C(c1cccc([O-])c1)N1CCNC(=O)CC1 ZINC000062098991 385158376 /nfs/dbraw/zinc/15/83/76/385158376.db2.gz VWOQFGFEJQFNDG-UHFFFAOYSA-N -1 3 234.255 0.354 20 0 BCADHM CCC1(C(=O)NCCc2c(C)[n-][nH]c2=O)CC1 ZINC000530915673 385163511 /nfs/dbraw/zinc/16/35/11/385163511.db2.gz KLUWAJWSUPXHTD-VIFPVBQESA-N -1 3 237.303 0.805 20 0 BCADHM Cn1cc(CC(=O)[N-]OCc2cccnc2)cn1 ZINC000152650442 385201156 /nfs/dbraw/zinc/20/11/56/385201156.db2.gz ALKKKIRZIVHEDA-UHFFFAOYSA-N -1 3 246.270 0.606 20 0 BCADHM Cc1n[nH]cc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000190174229 385216811 /nfs/dbraw/zinc/21/68/11/385216811.db2.gz AEICTCJZRRUBNB-UHFFFAOYSA-N -1 3 249.230 0.480 20 0 BCADHM O=C(N[C@H]1CCCC[C@H]1O)c1csc(=O)[n-]1 ZINC000332930329 385217639 /nfs/dbraw/zinc/21/76/39/385217639.db2.gz CXCDUORVFISVRE-POYBYMJQSA-N -1 3 242.300 0.882 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CCCNC1=O ZINC000208540569 385246904 /nfs/dbraw/zinc/24/69/04/385246904.db2.gz NOGSEKOONWKPNZ-SSDOTTSWSA-N -1 3 235.243 0.252 20 0 BCADHM COC[C@@H](C)NCc1cnc(C)[n-]c1=O ZINC000308935479 385304092 /nfs/dbraw/zinc/30/40/92/385304092.db2.gz KSENSSPLLQFDQE-SSDOTTSWSA-N -1 3 211.265 0.615 20 0 BCADHM CCOC[C@H](NC(=O)c1c[n-]nn1)C(C)C ZINC000190926108 385268831 /nfs/dbraw/zinc/26/88/31/385268831.db2.gz ZAYYHGULDDKFKO-VIFPVBQESA-N -1 3 226.280 0.596 20 0 BCADHM CCOC[C@H](NC(=O)c1cnn[n-]1)C(C)C ZINC000190926108 385268834 /nfs/dbraw/zinc/26/88/34/385268834.db2.gz ZAYYHGULDDKFKO-VIFPVBQESA-N -1 3 226.280 0.596 20 0 BCADHM CCOC[C@H](NC(=O)c1cn[n-]n1)C(C)C ZINC000190926108 385268837 /nfs/dbraw/zinc/26/88/37/385268837.db2.gz ZAYYHGULDDKFKO-VIFPVBQESA-N -1 3 226.280 0.596 20 0 BCADHM CS(=O)(=O)[N-]c1cnc(CC2CC2)nc1 ZINC000559970986 385270359 /nfs/dbraw/zinc/27/03/59/385270359.db2.gz NOEQDRHOOIEOIL-UHFFFAOYSA-N -1 3 227.289 0.801 20 0 BCADHM C[C@@]1(CNC(=O)c2c[n-]nn2)CCCC[C@@H]1O ZINC000178268613 385347926 /nfs/dbraw/zinc/34/79/26/385347926.db2.gz VPIAQRHQECBADM-ONGXEEELSA-N -1 3 238.291 0.476 20 0 BCADHM C[C@@]1(CNC(=O)c2cnn[n-]2)CCCC[C@@H]1O ZINC000178268613 385347932 /nfs/dbraw/zinc/34/79/32/385347932.db2.gz VPIAQRHQECBADM-ONGXEEELSA-N -1 3 238.291 0.476 20 0 BCADHM C[C@@]1(CNC(=O)c2cn[n-]n2)CCCC[C@@H]1O ZINC000178268613 385347934 /nfs/dbraw/zinc/34/79/34/385347934.db2.gz VPIAQRHQECBADM-ONGXEEELSA-N -1 3 238.291 0.476 20 0 BCADHM O=C(/C=C/c1ccncc1)[N-]O[C@H]1CCOC1 ZINC000492426450 385376693 /nfs/dbraw/zinc/37/66/93/385376693.db2.gz NFUDNESZQPWNLI-GXFZAYBSSA-N -1 3 234.255 0.932 20 0 BCADHM Cn1cc(NC([O-])=NO[C@H]2CCCCO2)cn1 ZINC000155608228 385399430 /nfs/dbraw/zinc/39/94/30/385399430.db2.gz JFXDSWIVUHTFIB-VIFPVBQESA-N -1 3 240.263 1.000 20 0 BCADHM Cn1cc(NC(=O)[N-]O[C@H]2CCCCO2)cn1 ZINC000155608228 385399435 /nfs/dbraw/zinc/39/94/35/385399435.db2.gz JFXDSWIVUHTFIB-VIFPVBQESA-N -1 3 240.263 1.000 20 0 BCADHM O=C([N-]OCc1cccnc1)C1CC(=O)C1 ZINC000156363401 385447395 /nfs/dbraw/zinc/44/73/95/385447395.db2.gz JFKCQIGWMWLDQR-UHFFFAOYSA-N -1 3 220.228 0.609 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CCCCC(=O)N1 ZINC000194476218 385437592 /nfs/dbraw/zinc/43/75/92/385437592.db2.gz KPYGQWAKIJMPON-MRVPVSSYSA-N -1 3 249.270 0.785 20 0 BCADHM CCCn1[n-]cc/c1=N\C(=O)CN(C)C1CC1 ZINC000195442492 385468735 /nfs/dbraw/zinc/46/87/35/385468735.db2.gz UDXJGVUEIMINMN-SDNWHVSQSA-N -1 3 236.319 0.748 20 0 BCADHM COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000171179627 385471362 /nfs/dbraw/zinc/47/13/62/385471362.db2.gz VPCZDDQUFPMZSZ-RNFRBKRXSA-N -1 3 236.227 0.535 20 0 BCADHM CO[N-]C(=O)CCOc1cccc(C=O)c1 ZINC000171915260 385532721 /nfs/dbraw/zinc/53/27/21/385532721.db2.gz FWYYPGPHKOFDGW-UHFFFAOYSA-N -1 3 223.228 0.946 20 0 BCADHM CC(=O)[N-]O[C@H](C)C(=O)NCC(F)(F)F ZINC000180805960 385547690 /nfs/dbraw/zinc/54/76/90/385547690.db2.gz LUDYCWJCCKOHDB-SCSAIBSYSA-N -1 3 228.170 0.121 20 0 BCADHM CCC[C@H](C)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000408152151 385573988 /nfs/dbraw/zinc/57/39/88/385573988.db2.gz WLKKBIMIJIJRQB-UWVGGRQHSA-N -1 3 239.319 0.659 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)Nc2ccncc2[O-])CC(=O)N1 ZINC000408161523 385580592 /nfs/dbraw/zinc/58/05/92/385580592.db2.gz NCEMGDPFYIHPPR-HTQZYQBOSA-N -1 3 249.270 0.062 20 0 BCADHM CO[C@@H](C)CC[N-]S(=O)(=O)c1ccccn1 ZINC000340077452 385641268 /nfs/dbraw/zinc/64/12/68/385641268.db2.gz GSEUVGLNOQZPEU-VIFPVBQESA-N -1 3 244.316 0.785 20 0 BCADHM COC(=O)[C@@H](C)CNC(=O)c1cccc([O-])c1 ZINC000182292808 385655371 /nfs/dbraw/zinc/65/53/71/385655371.db2.gz IJVGFVYEUXPNPR-QMMMGPOBSA-N -1 3 237.255 0.931 20 0 BCADHM CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)[O-] ZINC000336734701 385675722 /nfs/dbraw/zinc/67/57/22/385675722.db2.gz HLDGSLBXOYPUDG-MRVPVSSYSA-N -1 3 228.292 0.308 20 0 BCADHM CCCc1noc([C@H](C)[N-]S(C)(=O)=O)n1 ZINC000270303016 385696841 /nfs/dbraw/zinc/69/68/41/385696841.db2.gz CBNKNMMHEBVRHL-LURJTMIESA-N -1 3 233.293 0.632 20 0 BCADHM CCO[C@H]1C[C@@H]1C(=O)Nc1nnc(OC)[n-]1 ZINC000182997892 385727861 /nfs/dbraw/zinc/72/78/61/385727861.db2.gz KLGPDTHWWFUWOY-WDSKDSINSA-N -1 3 226.236 0.177 20 0 BCADHM CCO[C@H]1C[C@@H]1C(=O)Nc1n[n-]c(OC)n1 ZINC000182997892 385727867 /nfs/dbraw/zinc/72/78/67/385727867.db2.gz KLGPDTHWWFUWOY-WDSKDSINSA-N -1 3 226.236 0.177 20 0 BCADHM CCO[C@H]1C[C@@H]1C(=O)Nc1nc(OC)n[n-]1 ZINC000182997892 385727870 /nfs/dbraw/zinc/72/78/70/385727870.db2.gz KLGPDTHWWFUWOY-WDSKDSINSA-N -1 3 226.236 0.177 20 0 BCADHM O=c1[n-]nc(CN[C@@H]2CCO[C@@H]2C2CC2)s1 ZINC000309603068 385736790 /nfs/dbraw/zinc/73/67/90/385736790.db2.gz XDJOATJOXPIGPA-VXNVDRBHSA-N -1 3 241.316 0.489 20 0 BCADHM Cc1ccc([O-])c(CN2CC(=O)N(C)[C@H](C)C2)n1 ZINC000282251244 385745150 /nfs/dbraw/zinc/74/51/50/385745150.db2.gz BELVMXNCMDCDJO-SNVBAGLBSA-N -1 3 249.314 0.758 20 0 BCADHM C[C@@H](CCO)NC(=O)c1ccccc1[O-] ZINC000122714265 385746452 /nfs/dbraw/zinc/74/64/52/385746452.db2.gz WXZZGUWOFWGLHG-QMMMGPOBSA-N -1 3 209.245 0.893 20 0 BCADHM CO[C@H](C)CNc1nc2nncc-2c(O)[n-]1 ZINC000309671809 385786413 /nfs/dbraw/zinc/78/64/13/385786413.db2.gz WINYNGSFMHHJJD-RXMQYKEDSA-N -1 3 223.236 0.505 20 0 BCADHM C[C@H](CNC(=O)c1c[n-]nn1)c1nccs1 ZINC000183600434 385776073 /nfs/dbraw/zinc/77/60/73/385776073.db2.gz BFWYOTQDDZOALG-ZCFIWIBFSA-N -1 3 237.288 0.795 20 0 BCADHM C[C@H](CNC(=O)c1cnn[n-]1)c1nccs1 ZINC000183600434 385776079 /nfs/dbraw/zinc/77/60/79/385776079.db2.gz BFWYOTQDDZOALG-ZCFIWIBFSA-N -1 3 237.288 0.795 20 0 BCADHM C[C@H](CNC(=O)c1cn[n-]n1)c1nccs1 ZINC000183600434 385776082 /nfs/dbraw/zinc/77/60/82/385776082.db2.gz BFWYOTQDDZOALG-ZCFIWIBFSA-N -1 3 237.288 0.795 20 0 BCADHM CCN(CC(N)=O)Cc1nc(C)ccc1[O-] ZINC000231829940 385823523 /nfs/dbraw/zinc/82/35/23/385823523.db2.gz YMKINKKLLQJBJO-UHFFFAOYSA-N -1 3 223.276 0.403 20 0 BCADHM Cc1ccc([O-])c(CN2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000644836080 385840048 /nfs/dbraw/zinc/84/00/48/385840048.db2.gz NOYVZFFXVXLGOI-URLYPYJESA-N -1 3 234.299 0.766 20 0 BCADHM C[C@@H]1c2cccn2CCN1Cc1nc(=O)[n-][nH]1 ZINC000271650906 385844016 /nfs/dbraw/zinc/84/40/16/385844016.db2.gz VCYPLMKHWDVHMO-MRVPVSSYSA-N -1 3 233.275 0.476 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCOC1 ZINC000644837075 385847565 /nfs/dbraw/zinc/84/75/65/385847565.db2.gz HIDKJELTUKTBCR-SECBINFHSA-N -1 3 239.246 0.979 20 0 BCADHM Cc1ccc(NC(=O)[C@@H]2COC(=O)N2)c([O-])c1 ZINC000282902855 385795014 /nfs/dbraw/zinc/79/50/14/385795014.db2.gz HCGSYKQHJDJEQW-QMMMGPOBSA-N -1 3 236.227 0.748 20 0 BCADHM CSC[C@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000122258875 385897335 /nfs/dbraw/zinc/89/73/35/385897335.db2.gz DIFNTNJKPZTUSI-LURJTMIESA-N -1 3 235.334 0.440 20 0 BCADHM COC(=O)C(C)(C)[N-]S(=O)(=O)c1ccoc1 ZINC000285089521 385899652 /nfs/dbraw/zinc/89/96/52/385899652.db2.gz KHXRUXMCDWCVIG-UHFFFAOYSA-N -1 3 247.272 0.510 20 0 BCADHM CCC[C@@H](OC)C(=O)Nc1nnc(OC)[n-]1 ZINC000294893014 385912440 /nfs/dbraw/zinc/91/24/40/385912440.db2.gz HIJIUVIJPIWZGN-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCC[C@@H](OC)C(=O)Nc1n[n-]c(OC)n1 ZINC000294893014 385912446 /nfs/dbraw/zinc/91/24/46/385912446.db2.gz HIJIUVIJPIWZGN-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCC[C@@H](OC)C(=O)Nc1nc(OC)n[n-]1 ZINC000294893014 385912448 /nfs/dbraw/zinc/91/24/48/385912448.db2.gz HIJIUVIJPIWZGN-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1cncc(F)c1 ZINC000122417470 385919641 /nfs/dbraw/zinc/91/96/41/385919641.db2.gz RDKSCVSJLGWBNV-UHFFFAOYSA-N -1 3 207.168 0.591 20 0 BCADHM CCC1(O)CN(C(=O)c2c([O-])cccc2O)C1 ZINC000232436103 385864887 /nfs/dbraw/zinc/86/48/87/385864887.db2.gz MYUNPOPYLWUTPC-UHFFFAOYSA-N -1 3 237.255 0.695 20 0 BCADHM C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000032617348 385987418 /nfs/dbraw/zinc/98/74/18/385987418.db2.gz BGIGNCOVDOVXIF-UHFFFAOYSA-N -1 3 235.290 0.010 20 0 BCADHM CC[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000647768598 385939258 /nfs/dbraw/zinc/93/92/58/385939258.db2.gz KAHXDTCDYZEPFD-GUBZILKMSA-N -1 3 242.319 0.839 20 0 BCADHM COC(C)(C)C(=O)[N-]c1nncn1C1CC1 ZINC000285675748 385955079 /nfs/dbraw/zinc/95/50/79/385955079.db2.gz GBBDSGJRPZWRQZ-UHFFFAOYSA-N -1 3 224.264 0.977 20 0 BCADHM O=C(NC[C@@H]1CCOC1)c1c([O-])cccc1O ZINC000220232189 385959907 /nfs/dbraw/zinc/95/99/07/385959907.db2.gz BXHWXOPYSCFXGZ-QMMMGPOBSA-N -1 3 237.255 0.864 20 0 BCADHM CCc1ccc(C(=O)N2CC(=O)N(C)C2)c([O-])c1 ZINC000335016388 385974079 /nfs/dbraw/zinc/97/40/79/385974079.db2.gz HXKHYLKMAKBKRB-UHFFFAOYSA-N -1 3 248.282 0.826 20 0 BCADHM C[C@@H](CCCO)C[N-]S(=O)(=O)c1ccco1 ZINC000295275672 386004670 /nfs/dbraw/zinc/00/46/70/386004670.db2.gz MFHLHYVRTWGZQG-VIFPVBQESA-N -1 3 247.316 0.967 20 0 BCADHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])nnn1C ZINC000273470107 386005598 /nfs/dbraw/zinc/00/55/98/386005598.db2.gz JMZHIKJYJFLMMO-UHFFFAOYSA-N -1 3 247.258 0.785 20 0 BCADHM COCc1cnc(NC(=O)c2nc[n-]n2)s1 ZINC000286184094 386005722 /nfs/dbraw/zinc/00/57/22/386005722.db2.gz BEKZDQNOQVJMAQ-UHFFFAOYSA-N -1 3 239.260 0.660 20 0 BCADHM CC(=O)NCC(=O)Nc1nc(C)ccc1[O-] ZINC000273517903 386009567 /nfs/dbraw/zinc/00/95/67/386009567.db2.gz QABXWDZVMXUWDF-UHFFFAOYSA-N -1 3 223.232 0.170 20 0 BCADHM C[C@H]1CC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000336752565 386018274 /nfs/dbraw/zinc/01/82/74/386018274.db2.gz GZTBDOSRHIWKHG-POYBYMJQSA-N -1 3 203.249 0.937 20 0 BCADHM CN(c1nc2nncc-2c(O)[n-]1)[C@@H]1CCC[C@H]1O ZINC000286320883 386023848 /nfs/dbraw/zinc/02/38/48/386023848.db2.gz KVHMBHXBJZPVTN-HTQZYQBOSA-N -1 3 249.274 0.408 20 0 BCADHM CCCN1CC(=O)N[C@H]1c1nc(C)ccc1[O-] ZINC000414191757 386030334 /nfs/dbraw/zinc/03/03/34/386030334.db2.gz VAUIAXGGWNIJRX-GFCCVEGCSA-N -1 3 235.287 0.936 20 0 BCADHM Cc1cc(C(=O)NCc2cnc(C)[n-]c2=O)[nH]n1 ZINC000345104236 385996378 /nfs/dbraw/zinc/99/63/78/385996378.db2.gz IENGTFVLXZFKSK-UHFFFAOYSA-N -1 3 247.258 0.452 20 0 BCADHM O=C1CN(Cc2cc([O-])cc(F)c2)CCN1 ZINC000274526532 386114351 /nfs/dbraw/zinc/11/43/51/386114351.db2.gz CLMCKOGJXRKSGC-UHFFFAOYSA-N -1 3 224.235 0.463 20 0 BCADHM CC(=O)N[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000334444115 386066597 /nfs/dbraw/zinc/06/65/97/386066597.db2.gz DRKANZUIUPOWGT-LURJTMIESA-N -1 3 240.234 0.994 20 0 BCADHM O=S(=O)(CCC1CC1)c1ncn[n-]1 ZINC000308406872 386074366 /nfs/dbraw/zinc/07/43/66/386074366.db2.gz MKHIPDMQVCMECE-UHFFFAOYSA-N -1 3 201.251 0.379 20 0 BCADHM O=S(=O)(CCC1CC1)c1nnc[n-]1 ZINC000308406872 386074367 /nfs/dbraw/zinc/07/43/67/386074367.db2.gz MKHIPDMQVCMECE-UHFFFAOYSA-N -1 3 201.251 0.379 20 0 BCADHM CN(C)[C@H](CNC(=O)C(=O)[O-])c1ccccc1 ZINC000274205634 386083259 /nfs/dbraw/zinc/08/32/59/386083259.db2.gz VIJUVEMKENJAGJ-SNVBAGLBSA-N -1 3 236.271 0.490 20 0 BCADHM CCc1cc(=O)[n-]c(CN[C@@H](C)[C@H](C)CO)n1 ZINC000295805575 386087466 /nfs/dbraw/zinc/08/74/66/386087466.db2.gz SWOVBPYOFWHPMJ-BDAKNGLRSA-N -1 3 239.319 0.851 20 0 BCADHM CCN(C)S(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000334453273 386094583 /nfs/dbraw/zinc/09/45/83/386094583.db2.gz LVVGFNXZRHAGAH-UHFFFAOYSA-N -1 3 228.264 0.570 20 0 BCADHM C[C@H]1OCCC[C@H]1C(=O)Nc1ccncc1[O-] ZINC000408331515 386098995 /nfs/dbraw/zinc/09/89/95/386098995.db2.gz NVCQQEUXLZMMPZ-RKDXNWHRSA-N -1 3 236.271 0.963 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)c1 ZINC000334473940 386149310 /nfs/dbraw/zinc/14/93/10/386149310.db2.gz LXTXHKBTRGNDQI-YUMQZZPRSA-N -1 3 247.295 0.589 20 0 BCADHM Cc1cc(C(=O)N[C@H](C)CF)[n-]c(=O)n1 ZINC000288058273 386164336 /nfs/dbraw/zinc/16/43/36/386164336.db2.gz DKQWNCXPPHGJRN-ZCFIWIBFSA-N -1 3 213.212 0.578 20 0 BCADHM CCS(=O)(=O)[N-][C@H](C)c1nc(C)no1 ZINC000338910147 386174853 /nfs/dbraw/zinc/17/48/53/386174853.db2.gz XAYOAEKOFOKIKK-RXMQYKEDSA-N -1 3 219.266 0.378 20 0 BCADHM CSc1nnc(NC(=O)C2CCOCC2)[n-]1 ZINC000263871004 386185280 /nfs/dbraw/zinc/18/52/80/386185280.db2.gz MRKVAUISJXXMMD-UHFFFAOYSA-N -1 3 242.304 0.892 20 0 BCADHM CSc1n[n-]c(NC(=O)C2CCOCC2)n1 ZINC000263871004 386185285 /nfs/dbraw/zinc/18/52/85/386185285.db2.gz MRKVAUISJXXMMD-UHFFFAOYSA-N -1 3 242.304 0.892 20 0 BCADHM CSc1nc(NC(=O)C2CCOCC2)n[n-]1 ZINC000263871004 386185291 /nfs/dbraw/zinc/18/52/91/386185291.db2.gz MRKVAUISJXXMMD-UHFFFAOYSA-N -1 3 242.304 0.892 20 0 BCADHM CC[C@H](OC)C(=O)Nc1nnc(SC)[n-]1 ZINC000263884327 386187143 /nfs/dbraw/zinc/18/71/43/386187143.db2.gz VUGUCCQZGDCVRT-YFKPBYRVSA-N -1 3 230.293 0.890 20 0 BCADHM CC[C@H](OC)C(=O)Nc1nc(SC)n[n-]1 ZINC000263884327 386187151 /nfs/dbraw/zinc/18/71/51/386187151.db2.gz VUGUCCQZGDCVRT-YFKPBYRVSA-N -1 3 230.293 0.890 20 0 BCADHM CC[C@H](OC)C(=O)Nc1n[n-]c(SC)n1 ZINC000263884327 386187154 /nfs/dbraw/zinc/18/71/54/386187154.db2.gz VUGUCCQZGDCVRT-YFKPBYRVSA-N -1 3 230.293 0.890 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000643316445 386206049 /nfs/dbraw/zinc/20/60/49/386206049.db2.gz WXYDPHKITZXZSR-XVMARJQXSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000643316445 386206053 /nfs/dbraw/zinc/20/60/53/386206053.db2.gz WXYDPHKITZXZSR-XVMARJQXSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000643316445 386206057 /nfs/dbraw/zinc/20/60/57/386206057.db2.gz WXYDPHKITZXZSR-XVMARJQXSA-N -1 3 249.274 0.278 20 0 BCADHM Cc1ccc([O-])c([C@@H]2NC(=O)CN2C)n1 ZINC000264117331 386210843 /nfs/dbraw/zinc/21/08/43/386210843.db2.gz LKGACGYHRKRQAM-SNVBAGLBSA-N -1 3 207.233 0.156 20 0 BCADHM CC(C)[C@@H](N)C(=O)Nc1ncccc1[O-] ZINC000125055440 386218145 /nfs/dbraw/zinc/21/81/45/386218145.db2.gz FTHAKBQYWYTNLG-MRVPVSSYSA-N -1 3 209.249 0.709 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])C(=O)O1 ZINC000288593509 386219151 /nfs/dbraw/zinc/21/91/51/386219151.db2.gz MBMUOMAKTDGLED-VXNVDRBHSA-N -1 3 235.239 0.826 20 0 BCADHM O=C(CCn1ccnn1)[N-]O[C@H]1CCCCO1 ZINC000264633526 386257908 /nfs/dbraw/zinc/25/79/08/386257908.db2.gz BXVXRRBAPQUMLV-JTQLQIEISA-N -1 3 240.263 0.243 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2CCCOC2)[n-]1 ZINC000263946792 386195182 /nfs/dbraw/zinc/19/51/82/386195182.db2.gz VRBCKJUWWUGLKD-LURJTMIESA-N -1 3 242.304 0.892 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2CCCOC2)n1 ZINC000263946792 386195187 /nfs/dbraw/zinc/19/51/87/386195187.db2.gz VRBCKJUWWUGLKD-LURJTMIESA-N -1 3 242.304 0.892 20 0 BCADHM CSc1nc(NC(=O)[C@H]2CCCOC2)n[n-]1 ZINC000263946792 386195193 /nfs/dbraw/zinc/19/51/93/386195193.db2.gz VRBCKJUWWUGLKD-LURJTMIESA-N -1 3 242.304 0.892 20 0 BCADHM C[C@@H](CO)[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000131250353 386198826 /nfs/dbraw/zinc/19/88/26/386198826.db2.gz GABLECAUGOYIFM-YUMQZZPRSA-N -1 3 248.286 0.705 20 0 BCADHM CO[C@H](C)[C@H](C)Nc1nc2nncc-2c(O)[n-]1 ZINC000276263158 386292520 /nfs/dbraw/zinc/29/25/20/386292520.db2.gz GCDVMOGDIHANMB-NTSWFWBYSA-N -1 3 237.263 0.894 20 0 BCADHM CC[C@@H](C[N-]S(=O)(=O)Cc1ccon1)OC ZINC000289413416 386301749 /nfs/dbraw/zinc/30/17/49/386301749.db2.gz BHIMUXQLPNEQBO-VIFPVBQESA-N -1 3 248.304 0.519 20 0 BCADHM O=C([O-])C1(NCc2cnn(CC(F)F)c2)CC1 ZINC000417537501 386305958 /nfs/dbraw/zinc/30/59/58/386305958.db2.gz SKDCIFZDQMEMKU-UHFFFAOYSA-N -1 3 245.229 0.855 20 0 BCADHM CC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)C(C)C ZINC000264694923 386263366 /nfs/dbraw/zinc/26/33/66/386263366.db2.gz AULPWWOCRHEMNT-MRVPVSSYSA-N -1 3 241.291 0.089 20 0 BCADHM CO[C@@H](C)C(=O)[N-]c1ncnn1-c1ccccc1 ZINC000339164086 386270464 /nfs/dbraw/zinc/27/04/64/386270464.db2.gz GJYYEFJGRMHHSC-VIFPVBQESA-N -1 3 246.270 0.663 20 0 BCADHM CC(C)C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297806143 386278167 /nfs/dbraw/zinc/27/81/67/386278167.db2.gz STMIQBCWAOFHPG-UHFFFAOYSA-N -1 3 237.263 0.291 20 0 BCADHM CC(C)C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297806143 386278175 /nfs/dbraw/zinc/27/81/75/386278175.db2.gz STMIQBCWAOFHPG-UHFFFAOYSA-N -1 3 237.263 0.291 20 0 BCADHM CC(C)C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297806143 386278180 /nfs/dbraw/zinc/27/81/80/386278180.db2.gz STMIQBCWAOFHPG-UHFFFAOYSA-N -1 3 237.263 0.291 20 0 BCADHM CCCCN(C)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000298427787 386344335 /nfs/dbraw/zinc/34/43/35/386344335.db2.gz NCLOLJHLKKLFNU-UHFFFAOYSA-N -1 3 239.275 0.358 20 0 BCADHM CN(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000334491421 386344942 /nfs/dbraw/zinc/34/49/42/386344942.db2.gz DHYBCWMTLBYQGX-UHFFFAOYSA-N -1 3 237.185 0.595 20 0 BCADHM CN(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000334491421 386344947 /nfs/dbraw/zinc/34/49/47/386344947.db2.gz DHYBCWMTLBYQGX-UHFFFAOYSA-N -1 3 237.185 0.595 20 0 BCADHM CN(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000334491421 386344952 /nfs/dbraw/zinc/34/49/52/386344952.db2.gz DHYBCWMTLBYQGX-UHFFFAOYSA-N -1 3 237.185 0.595 20 0 BCADHM C[C@H]1CCCN1C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000408406265 386361470 /nfs/dbraw/zinc/36/14/70/386361470.db2.gz PUEFSPGNQAXDEI-ZETCQYMHSA-N -1 3 237.259 0.110 20 0 BCADHM COCCN(Cc1nc(=O)n(C)[n-]1)CC(C)C ZINC000347394229 386382157 /nfs/dbraw/zinc/38/21/57/386382157.db2.gz PKSMOEIZQJFZQQ-UHFFFAOYSA-N -1 3 242.323 0.213 20 0 BCADHM Cc1cc(C(=O)N2CCNC(=O)[C@@H]2C)ccc1[O-] ZINC000226995580 386442466 /nfs/dbraw/zinc/44/24/66/386442466.db2.gz PWIZROXPSBBQPC-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H]1CO ZINC000527366208 386445632 /nfs/dbraw/zinc/44/56/32/386445632.db2.gz DPTFBLYRRAOGHD-MRVPVSSYSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H]1CO ZINC000527366208 386445635 /nfs/dbraw/zinc/44/56/35/386445635.db2.gz DPTFBLYRRAOGHD-MRVPVSSYSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H]1CO ZINC000527366208 386445639 /nfs/dbraw/zinc/44/56/39/386445639.db2.gz DPTFBLYRRAOGHD-MRVPVSSYSA-N -1 3 246.270 0.555 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)[C@H](O)c1ccccc1 ZINC000290100724 386394047 /nfs/dbraw/zinc/39/40/47/386394047.db2.gz KZRPIHZOHWFZSO-KCJUWKMLSA-N -1 3 246.270 0.657 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)[C@H](O)c1ccccc1 ZINC000290100724 386394052 /nfs/dbraw/zinc/39/40/52/386394052.db2.gz KZRPIHZOHWFZSO-KCJUWKMLSA-N -1 3 246.270 0.657 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H](O)c1ccccc1 ZINC000290100724 386394058 /nfs/dbraw/zinc/39/40/58/386394058.db2.gz KZRPIHZOHWFZSO-KCJUWKMLSA-N -1 3 246.270 0.657 20 0 BCADHM CCn1nccc1CNC1(C(=O)[O-])CCC1 ZINC000417569181 386395803 /nfs/dbraw/zinc/39/58/03/386395803.db2.gz QDQCLLVEKOXEBG-UHFFFAOYSA-N -1 3 223.276 1.000 20 0 BCADHM CCN(Cc1nc(=O)n(C)[n-]1)CC1CC1 ZINC000347431133 386401052 /nfs/dbraw/zinc/40/10/52/386401052.db2.gz DKUPVOKDISONED-UHFFFAOYSA-N -1 3 210.281 0.340 20 0 BCADHM C[C@@H](C(=O)Nc1nnn[n-]1)[C@H](N)c1ccccc1 ZINC000237722757 386406012 /nfs/dbraw/zinc/40/60/12/386406012.db2.gz JTIFIAYNYLJWHN-APPZFPTMSA-N -1 3 246.274 0.474 20 0 BCADHM CCCN(Cc1nn(C)c(=O)[n-]1)CC(C)(C)O ZINC000347454527 386409168 /nfs/dbraw/zinc/40/91/68/386409168.db2.gz BVRTUGSPXBOCHJ-UHFFFAOYSA-N -1 3 242.323 0.091 20 0 BCADHM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](N)C1CCC1 ZINC000399137447 386423378 /nfs/dbraw/zinc/42/33/78/386423378.db2.gz RTKJITPXKYNDLT-KCJUWKMLSA-N -1 3 242.319 0.826 20 0 BCADHM CN(CCC1CC1)Cc1nc(=O)n(C)[n-]1 ZINC000347480695 386436129 /nfs/dbraw/zinc/43/61/29/386436129.db2.gz FWSIWXQNRPEECE-UHFFFAOYSA-N -1 3 210.281 0.340 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CC2CC2)n1 ZINC000335453462 386529364 /nfs/dbraw/zinc/52/93/64/386529364.db2.gz VSLMLWWJNMMLLH-UHFFFAOYSA-N -1 3 215.278 0.108 20 0 BCADHM CC(C)C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335439933 386498767 /nfs/dbraw/zinc/49/87/67/386498767.db2.gz ONQFPPPZVYUSQQ-UHFFFAOYSA-N -1 3 217.294 0.354 20 0 BCADHM CC(C)c1noc(=N[C@H](C)CN(C)C)[n-]1 ZINC000336762406 386499872 /nfs/dbraw/zinc/49/98/72/386499872.db2.gz OCUSPKTWTBATNZ-MRVPVSSYSA-N -1 3 212.297 0.977 20 0 BCADHM COC[C@H](CNC(=O)c1cccc([O-])c1)OC ZINC000227699366 386502823 /nfs/dbraw/zinc/50/28/23/386502823.db2.gz HLCQNDJFJOBNEW-NSHDSACASA-N -1 3 239.271 0.783 20 0 BCADHM CCO[C@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000299534318 386464610 /nfs/dbraw/zinc/46/46/10/386464610.db2.gz NSRBYKUJSCUKTA-RXMQYKEDSA-N -1 3 230.293 0.890 20 0 BCADHM CCO[C@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000299534318 386464616 /nfs/dbraw/zinc/46/46/16/386464616.db2.gz NSRBYKUJSCUKTA-RXMQYKEDSA-N -1 3 230.293 0.890 20 0 BCADHM CCO[C@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000299534318 386464620 /nfs/dbraw/zinc/46/46/20/386464620.db2.gz NSRBYKUJSCUKTA-RXMQYKEDSA-N -1 3 230.293 0.890 20 0 BCADHM CN(C)c1cccc(CNC(=O)c2c[n-]nn2)c1 ZINC000299547634 386465853 /nfs/dbraw/zinc/46/58/53/386465853.db2.gz KQZGVVLYHLKDLA-UHFFFAOYSA-N -1 3 245.286 0.801 20 0 BCADHM CN(C)c1cccc(CNC(=O)c2cnn[n-]2)c1 ZINC000299547634 386465857 /nfs/dbraw/zinc/46/58/57/386465857.db2.gz KQZGVVLYHLKDLA-UHFFFAOYSA-N -1 3 245.286 0.801 20 0 BCADHM CN(C)c1cccc(CNC(=O)c2cn[n-]n2)c1 ZINC000299547634 386465862 /nfs/dbraw/zinc/46/58/62/386465862.db2.gz KQZGVVLYHLKDLA-UHFFFAOYSA-N -1 3 245.286 0.801 20 0 BCADHM CS[C@H](C)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267867790 386593008 /nfs/dbraw/zinc/59/30/08/386593008.db2.gz UTQZTXWLUBNGSC-RXMQYKEDSA-N -1 3 243.288 0.886 20 0 BCADHM C[C@@H](O)CCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000228641510 386595133 /nfs/dbraw/zinc/59/51/33/386595133.db2.gz MCFGUNQFHCVLOZ-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM CCS(=O)(=O)[N-]c1cnccc1NC(C)=O ZINC000278503044 386536266 /nfs/dbraw/zinc/53/62/66/386536266.db2.gz OHUKWZKXVSEQMR-UHFFFAOYSA-N -1 3 243.288 0.802 20 0 BCADHM CCc1cc(C(=O)NCC(=O)NC)ccc1[O-] ZINC000291453530 386549705 /nfs/dbraw/zinc/54/97/05/386549705.db2.gz MIBVGPMNAHRFRR-UHFFFAOYSA-N -1 3 236.271 0.430 20 0 BCADHM Cc1ccc(NC(=O)CCNC(N)=O)c([O-])c1 ZINC000242839240 386551859 /nfs/dbraw/zinc/55/18/59/386551859.db2.gz FUZUMCPGNNRCBJ-UHFFFAOYSA-N -1 3 237.259 0.698 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]OC/C=C/Cl ZINC000291886566 386597344 /nfs/dbraw/zinc/59/73/44/386597344.db2.gz QWVBEXMVHCTIGO-KGGZQZJCSA-N -1 3 235.667 0.986 20 0 BCADHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335407280 386565992 /nfs/dbraw/zinc/56/59/92/386565992.db2.gz JOQDSSQXUDSVBW-DTWKUNHWSA-N -1 3 243.332 0.743 20 0 BCADHM C[C@@H](O)C[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000525872985 386622063 /nfs/dbraw/zinc/62/20/63/386622063.db2.gz MJIGNDDTYVSTHU-JGVFFNPUSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@@H](O)C[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000525872985 386622068 /nfs/dbraw/zinc/62/20/68/386622068.db2.gz MJIGNDDTYVSTHU-JGVFFNPUSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@@H](O)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000525872985 386622071 /nfs/dbraw/zinc/62/20/71/386622071.db2.gz MJIGNDDTYVSTHU-JGVFFNPUSA-N -1 3 248.286 0.847 20 0 BCADHM COCc1nc(S[C@H](C)C(=O)OC)n[n-]1 ZINC000268480756 386655840 /nfs/dbraw/zinc/65/58/40/386655840.db2.gz KVZUZGKRXZLCAN-RXMQYKEDSA-N -1 3 231.277 0.605 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3cccnc3)C[C@@H]12 ZINC000328903018 386638158 /nfs/dbraw/zinc/63/81/58/386638158.db2.gz HIKBQYUNDWZXQS-JTQLQIEISA-N -1 3 246.270 0.658 20 0 BCADHM Cn1[n-]c([C@H]2CCCN2Cc2ccon2)nc1=N ZINC000328877679 386640665 /nfs/dbraw/zinc/64/06/65/386640665.db2.gz IREUCLYYFUVVDC-SECBINFHSA-N -1 3 248.290 0.553 20 0 BCADHM CC1(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)CC1 ZINC000328954967 386653448 /nfs/dbraw/zinc/65/34/48/386653448.db2.gz OQLJDSPQNMGDLK-SSDOTTSWSA-N -1 3 237.259 0.389 20 0 BCADHM C[C@H](O)C(C)(C)NC(=O)c1cccc2nn[n-]c21 ZINC000525870538 386599418 /nfs/dbraw/zinc/59/94/18/386599418.db2.gz FFODNJCCYKECPN-ZETCQYMHSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@H](O)C(C)(C)NC(=O)c1cccc2[n-]nnc21 ZINC000525870538 386599423 /nfs/dbraw/zinc/59/94/23/386599423.db2.gz FFODNJCCYKECPN-ZETCQYMHSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@H](O)C(C)(C)NC(=O)c1cccc2n[n-]nc21 ZINC000525870538 386599425 /nfs/dbraw/zinc/59/94/25/386599425.db2.gz FFODNJCCYKECPN-ZETCQYMHSA-N -1 3 248.286 0.847 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@H]2CCSC2)n1 ZINC000335487808 386603013 /nfs/dbraw/zinc/60/30/13/386603013.db2.gz WXQGGJWHROEQPK-ZETCQYMHSA-N -1 3 247.345 0.204 20 0 BCADHM COc1cc(C(=O)NCC(C)(C)O)ccc1[O-] ZINC000268057029 386613665 /nfs/dbraw/zinc/61/36/65/386613665.db2.gz BDIXXOZEYDHEEY-UHFFFAOYSA-N -1 3 239.271 0.902 20 0 BCADHM O=C(CC1CC1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000328984184 386665588 /nfs/dbraw/zinc/66/55/88/386665588.db2.gz ZDPRVRQPSARDRF-MRVPVSSYSA-N -1 3 237.259 0.389 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2C)[n-]c(=O)n1 ZINC000268600204 386666615 /nfs/dbraw/zinc/66/66/15/386666615.db2.gz ALFJVVBKXQDTJU-IYSWYEEDSA-N -1 3 207.233 0.629 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3ccncc3)C[C@@H]12 ZINC000329459821 386675395 /nfs/dbraw/zinc/67/53/95/386675395.db2.gz RVBHUFJJWIMYTE-JTQLQIEISA-N -1 3 246.270 0.658 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3ccccn3)C[C@H]12 ZINC000329465593 386677493 /nfs/dbraw/zinc/67/74/93/386677493.db2.gz VPCLPHFJMOWILV-SNVBAGLBSA-N -1 3 246.270 0.658 20 0 BCADHM Cc1cc(C(=O)NCCn2cccc2)[n-]c(=O)n1 ZINC000268692397 386681695 /nfs/dbraw/zinc/68/16/95/386681695.db2.gz WJRUSQHIRRGLAV-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CCN(C)C)o1 ZINC000330653250 386749225 /nfs/dbraw/zinc/74/92/25/386749225.db2.gz LWPKXPUMBHKYIG-UHFFFAOYSA-N -1 3 232.305 0.428 20 0 BCADHM CC(C)[C@@H](NC(=O)c1c[n-]nn1)c1nncn1C ZINC000340732063 386757574 /nfs/dbraw/zinc/75/75/74/386757574.db2.gz AQWGZEZSLGWOGM-MRVPVSSYSA-N -1 3 249.278 0.060 20 0 BCADHM CC(C)[C@@H](NC(=O)c1cnn[n-]1)c1nncn1C ZINC000340732063 386757582 /nfs/dbraw/zinc/75/75/82/386757582.db2.gz AQWGZEZSLGWOGM-MRVPVSSYSA-N -1 3 249.278 0.060 20 0 BCADHM CC(C)[C@@H](NC(=O)c1cn[n-]n1)c1nncn1C ZINC000340732063 386757587 /nfs/dbraw/zinc/75/75/87/386757587.db2.gz AQWGZEZSLGWOGM-MRVPVSSYSA-N -1 3 249.278 0.060 20 0 BCADHM O=C(CC1CCOCC1)Nc1ccncc1[O-] ZINC000330547543 386761964 /nfs/dbraw/zinc/76/19/64/386761964.db2.gz LHBSVBGWYBONKL-UHFFFAOYSA-N -1 3 236.271 0.964 20 0 BCADHM CSCCO[N-]C(=O)CCCC(N)=O ZINC000280076949 386774710 /nfs/dbraw/zinc/77/47/10/386774710.db2.gz RZCOJWCTRVAXIR-UHFFFAOYSA-N -1 3 220.294 0.053 20 0 BCADHM CSCCO[N-]C(=O)CCc1cncnc1 ZINC000293115105 386778596 /nfs/dbraw/zinc/77/85/96/386778596.db2.gz KBMNRLUVCKQMLG-UHFFFAOYSA-N -1 3 241.316 0.820 20 0 BCADHM Cc1c(S(=O)(=O)[N-]CC(F)F)cnn1C ZINC000293482461 386822137 /nfs/dbraw/zinc/82/21/37/386822137.db2.gz QRKLTMWDBTYEII-UHFFFAOYSA-N -1 3 239.247 0.272 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCCCC1 ZINC000585356332 386846147 /nfs/dbraw/zinc/84/61/47/386846147.db2.gz DHOZZQQAKVERJW-UHFFFAOYSA-N -1 3 207.233 0.808 20 0 BCADHM Cc1ccc([O-])c(NC(=O)CC(=O)N(C)C)n1 ZINC000330800384 386892947 /nfs/dbraw/zinc/89/29/47/386892947.db2.gz GPCJTWPQKGBETB-UHFFFAOYSA-N -1 3 237.259 0.512 20 0 BCADHM Cn1cc(CC(=O)[N-]OCC2CC2)cn1 ZINC000293873338 386893171 /nfs/dbraw/zinc/89/31/71/386893171.db2.gz WWVVCXMIBQMTDN-UHFFFAOYSA-N -1 3 209.249 0.420 20 0 BCADHM Cc1occc1CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000334836343 386879392 /nfs/dbraw/zinc/87/93/92/386879392.db2.gz MVBOGXAFKGLYAQ-JTQLQIEISA-N -1 3 249.270 0.324 20 0 BCADHM Cn1nccc1/C=C/C(=O)[N-]OCC1CC1 ZINC000293797376 386881059 /nfs/dbraw/zinc/88/10/59/386881059.db2.gz PFZFBJZYWDLHNK-SNAWJCMRSA-N -1 3 221.260 0.891 20 0 BCADHM O=S(=O)([N-]CCCCCO)c1ccccn1 ZINC000341511228 386913822 /nfs/dbraw/zinc/91/38/22/386913822.db2.gz NPFLLTTZWUYUSU-UHFFFAOYSA-N -1 3 244.316 0.523 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](CC)CO)n1 ZINC000293882266 386896498 /nfs/dbraw/zinc/89/64/98/386896498.db2.gz MDOVYSUBVYTZNN-JTQLQIEISA-N -1 3 239.319 0.947 20 0 BCADHM CC(=O)N[C@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000330833517 386901429 /nfs/dbraw/zinc/90/14/29/386901429.db2.gz QSNIKUJFDQLJKM-SSDOTTSWSA-N -1 3 237.259 0.559 20 0 BCADHM CO[C@@]1(C)C[C@@H](NCc2n[nH]c(=O)[n-]2)C1(C)C ZINC000331778657 386902276 /nfs/dbraw/zinc/90/22/76/386902276.db2.gz NGMBYEGDNQKARD-HQJQHLMTSA-N -1 3 240.307 0.804 20 0 BCADHM Cn1[n-]c(CN2C[C@@H]3CCCC[C@H]3C2)nc1=O ZINC000335763137 386902664 /nfs/dbraw/zinc/90/26/64/386902664.db2.gz RATVCTVVQMRGEM-UWVGGRQHSA-N -1 3 236.319 0.730 20 0 BCADHM Cn1[n-]c(CN2C[C@@H]3CCCC[C@@H]3C2)nc1=O ZINC000335763135 386902832 /nfs/dbraw/zinc/90/28/32/386902832.db2.gz RATVCTVVQMRGEM-AOOOYVTPSA-N -1 3 236.319 0.730 20 0 BCADHM O=C(CCCn1cccn1)Nc1ccncc1[O-] ZINC000358349731 386938445 /nfs/dbraw/zinc/93/84/45/386938445.db2.gz HOYDDOIJPUOZSG-UHFFFAOYSA-N -1 3 246.270 0.825 20 0 BCADHM CC(C)C[C@H](CNC(=O)[C@@H](N)C(C)C)C(=O)[O-] ZINC000094703879 386952542 /nfs/dbraw/zinc/95/25/42/386952542.db2.gz NCCNVPVHUVLYCD-ZJUUUORDSA-N -1 3 244.335 0.833 20 0 BCADHM CO[N-]C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368263262 386954329 /nfs/dbraw/zinc/95/43/29/386954329.db2.gz UYMJYQPJEVXNSV-JTQLQIEISA-N -1 3 218.272 0.877 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CCO[C@H]3C[C@H]32)n1 ZINC000368325895 386959980 /nfs/dbraw/zinc/95/99/80/386959980.db2.gz BCGKCGIQDAANGU-ZJUUUORDSA-N -1 3 235.287 0.718 20 0 BCADHM CC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000334888769 386960234 /nfs/dbraw/zinc/96/02/34/386960234.db2.gz SPJLQMXUFHQAGW-JTQLQIEISA-N -1 3 248.282 0.743 20 0 BCADHM CC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000334888770 386960589 /nfs/dbraw/zinc/96/05/89/386960589.db2.gz SPJLQMXUFHQAGW-SNVBAGLBSA-N -1 3 248.282 0.743 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000368342229 386963459 /nfs/dbraw/zinc/96/34/59/386963459.db2.gz XYQACQUQLMDUKQ-URLYPYJESA-N -1 3 249.314 0.415 20 0 BCADHM CN(C)c1nc(C(=O)NC2CCC2)cc(=O)[n-]1 ZINC000332418541 386976794 /nfs/dbraw/zinc/97/67/94/386976794.db2.gz DLWXOJXUHZQVAR-UHFFFAOYSA-N -1 3 236.275 0.531 20 0 BCADHM Cc1c(NC(=O)c2nc[n-]n2)cnn1C ZINC000358590280 386985559 /nfs/dbraw/zinc/98/55/59/386985559.db2.gz NQSYBPXSLLGWLF-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM CC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](O)C2)cc1[O-] ZINC000332494306 386985774 /nfs/dbraw/zinc/98/57/74/386985774.db2.gz XWGPPNXRGOFNTI-AOOOYVTPSA-N -1 3 249.266 0.848 20 0 BCADHM Cc1c(C(=O)Nc2ncccc2[O-])nnn1C ZINC000341905972 386986652 /nfs/dbraw/zinc/98/66/52/386986652.db2.gz XRFMUTSLOBPMJK-UHFFFAOYSA-N -1 3 233.231 0.476 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC2)o1 ZINC000358604336 386987632 /nfs/dbraw/zinc/98/76/32/386987632.db2.gz RVAZFCXJAWXUQR-MRVPVSSYSA-N -1 3 231.273 0.655 20 0 BCADHM C[C@H]1CN(C(=O)C(=O)[O-])CCN(C2CCC2)C1 ZINC000519058587 386995557 /nfs/dbraw/zinc/99/55/57/386995557.db2.gz BGFHRAJTNZSVLC-SECBINFHSA-N -1 3 240.303 0.404 20 0 BCADHM C[C@@H](Cn1cccn1)N=c1ncnc2[nH][n-]cc1-2 ZINC000358740239 387004577 /nfs/dbraw/zinc/00/45/77/387004577.db2.gz TUWMKNRBKQPXGB-QMMMGPOBSA-N -1 3 243.274 0.424 20 0 BCADHM Cn1cc(C(=O)[N-]c2ncn(C(C)(C)C)n2)nn1 ZINC000519222117 387032514 /nfs/dbraw/zinc/03/25/14/387032514.db2.gz OAKBRQZGQKCBNO-UHFFFAOYSA-N -1 3 249.278 0.414 20 0 BCADHM CCCNC(=O)C[N-]S(=O)(=O)c1ccco1 ZINC000188570077 387040567 /nfs/dbraw/zinc/04/05/67/387040567.db2.gz BCQCLRDVXOKVJW-UHFFFAOYSA-N -1 3 246.288 0.084 20 0 BCADHM O=c1cc(CN2CCCC2)nc2cc[n-]n21 ZINC000108850217 387045115 /nfs/dbraw/zinc/04/51/15/387045115.db2.gz PFQACBBBNKJANW-UHFFFAOYSA-N -1 3 218.260 0.618 20 0 BCADHM Cc1cc(C(=O)N(C)[C@H]2CCNC2=O)ccc1[O-] ZINC000334963845 387045276 /nfs/dbraw/zinc/04/52/76/387045276.db2.gz RVTCTOUARULKNV-JTQLQIEISA-N -1 3 248.282 0.661 20 0 BCADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1c[n-]nn1 ZINC000334090331 387057363 /nfs/dbraw/zinc/05/73/63/387057363.db2.gz NLDUISVDRNMEKO-GMSGAONNSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cnn[n-]1 ZINC000334090331 387057366 /nfs/dbraw/zinc/05/73/66/387057366.db2.gz NLDUISVDRNMEKO-GMSGAONNSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cn[n-]n1 ZINC000334090331 387057367 /nfs/dbraw/zinc/05/73/67/387057367.db2.gz NLDUISVDRNMEKO-GMSGAONNSA-N -1 3 226.280 0.332 20 0 BCADHM Cc1noc(C[N-]S(=O)(=O)CC2CCC2)n1 ZINC000333326432 387029060 /nfs/dbraw/zinc/02/90/60/387029060.db2.gz QHNHKAYIWXBQHK-UHFFFAOYSA-N -1 3 245.304 0.598 20 0 BCADHM C[C@@H](O)C[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000228189243 387068874 /nfs/dbraw/zinc/06/88/74/387068874.db2.gz KVDKTLXPBOLBNM-HTQZYQBOSA-N -1 3 248.286 0.847 20 0 BCADHM CCS(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000127182818 387097184 /nfs/dbraw/zinc/09/71/84/387097184.db2.gz LUCGUDMAQMRHEM-UHFFFAOYSA-N -1 3 201.251 0.476 20 0 BCADHM CCS(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000127182818 387097186 /nfs/dbraw/zinc/09/71/86/387097186.db2.gz LUCGUDMAQMRHEM-UHFFFAOYSA-N -1 3 201.251 0.476 20 0 BCADHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000228562695 387102762 /nfs/dbraw/zinc/10/27/62/387102762.db2.gz WCIIPUCQDIOUCE-VIFPVBQESA-N -1 3 247.320 0.239 20 0 BCADHM CC(=O)N(C)CC(=O)Nc1ccc([O-])cc1F ZINC000334947770 387110304 /nfs/dbraw/zinc/11/03/04/387110304.db2.gz HGLIMIZHIRZHRW-UHFFFAOYSA-N -1 3 240.234 0.948 20 0 BCADHM CN(C)c1cccc(NC(=O)c2nnc[n-]2)n1 ZINC000359543067 387122103 /nfs/dbraw/zinc/12/21/03/387122103.db2.gz MNWMDUHXVACDHW-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CN(C)c1cccc(NC(=O)c2nc[n-]n2)n1 ZINC000359543067 387122106 /nfs/dbraw/zinc/12/21/06/387122106.db2.gz MNWMDUHXVACDHW-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CCc1cc(=O)[n-]c(CN[C@@H](CO)C(C)C)n1 ZINC000359843052 387175676 /nfs/dbraw/zinc/17/56/76/387175676.db2.gz QZJKGXAEFNBCLI-JTQLQIEISA-N -1 3 239.319 0.851 20 0 BCADHM Cn1[n-]c(CN2CC[C@@H]3CCC[C@@H]32)nc1=O ZINC000336353030 387183954 /nfs/dbraw/zinc/18/39/54/387183954.db2.gz FVRWPWPSCIBRQI-IUCAKERBSA-N -1 3 222.292 0.483 20 0 BCADHM CCCCN(CC)Cc1nc(=O)n(C)[n-]1 ZINC000353480034 387212117 /nfs/dbraw/zinc/21/21/17/387212117.db2.gz PHWSGMZQEOCJPK-UHFFFAOYSA-N -1 3 212.297 0.730 20 0 BCADHM Cc1n[nH]c(CC[N-]C(=O)C(F)(F)F)n1 ZINC000267114171 387219907 /nfs/dbraw/zinc/21/99/07/387219907.db2.gz CGHBMAJJYFLCDV-UHFFFAOYSA-N -1 3 222.170 0.334 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2csc(=O)[n-]2)CO1 ZINC000572042445 387220846 /nfs/dbraw/zinc/22/08/46/387220846.db2.gz NPWKREYTRUPVCU-NTSWFWBYSA-N -1 3 228.273 0.756 20 0 BCADHM CS(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000336393569 387222377 /nfs/dbraw/zinc/22/23/77/387222377.db2.gz PRHCMTLCHFUZSG-UHFFFAOYSA-N -1 3 243.210 0.817 20 0 BCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccccc1 ZINC000360168331 387235814 /nfs/dbraw/zinc/23/58/14/387235814.db2.gz DCFSVIDHMRGPLJ-UHFFFAOYSA-N -1 3 246.226 0.722 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c1 ZINC000336438825 387263130 /nfs/dbraw/zinc/26/31/30/387263130.db2.gz OMZRHTOTXVXYPK-SFYZADRCSA-N -1 3 247.295 0.589 20 0 BCADHM Cn1cc(C(=O)NCc2ncccc2[O-])cn1 ZINC000352502357 387264392 /nfs/dbraw/zinc/26/43/92/387264392.db2.gz SZZWBXAWTJAYQD-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM C[C@@]1(C(=O)NCc2ncccc2[O-])CCOC1 ZINC000352508915 387266988 /nfs/dbraw/zinc/26/69/88/387266988.db2.gz NZQOQYHTIHPAAN-GFCCVEGCSA-N -1 3 236.271 0.830 20 0 BCADHM Cc1cc(C(=O)NCc2ncccc2[O-])cnn1 ZINC000352505833 387267843 /nfs/dbraw/zinc/26/78/43/387267843.db2.gz BPKKRYUNPJSYHP-UHFFFAOYSA-N -1 3 244.254 0.816 20 0 BCADHM CCO[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000352506158 387268220 /nfs/dbraw/zinc/26/82/20/387268220.db2.gz DZJPMJXFZQKHOT-QMMMGPOBSA-N -1 3 224.260 0.828 20 0 BCADHM Cn1[n-]c(CN2CCC[C@H]2C2CCC2)nc1=O ZINC000336447458 387276124 /nfs/dbraw/zinc/27/61/24/387276124.db2.gz UTKYCMQYKWULRR-JTQLQIEISA-N -1 3 236.319 0.873 20 0 BCADHM CCN(CC(=O)NCc1ncccc1[O-])C1CC1 ZINC000352517977 387286052 /nfs/dbraw/zinc/28/60/52/387286052.db2.gz TXIAPKBSDNYWNL-UHFFFAOYSA-N -1 3 249.314 0.888 20 0 BCADHM CN[C@@H](CC(C)(C)C)C(=O)Nc1nnn[n-]1 ZINC000514938569 387318217 /nfs/dbraw/zinc/31/82/17/387318217.db2.gz LWULUAZPWBRGHM-LURJTMIESA-N -1 3 226.284 0.162 20 0 BCADHM Cc1cc(C(=O)N(C)C[C@@H](O)CO)ccc1[O-] ZINC000353939285 387300811 /nfs/dbraw/zinc/30/08/11/387300811.db2.gz BWQSLLXDNVSEDR-SNVBAGLBSA-N -1 3 239.271 0.126 20 0 BCADHM CCC[C@H](NC(=O)c1cccc([O-])c1)C(N)=O ZINC000286525788 387332253 /nfs/dbraw/zinc/33/22/53/387332253.db2.gz ZZOQPDCXMKBEPP-JTQLQIEISA-N -1 3 236.271 0.776 20 0 BCADHM O=S(=O)(Cc1ccon1)[N-]Cc1ccoc1 ZINC000360727486 387342994 /nfs/dbraw/zinc/34/29/94/387342994.db2.gz HPTSFSIXDOXAKF-UHFFFAOYSA-N -1 3 242.256 0.887 20 0 BCADHM C[C@@]1(C(N)=O)CCN(C(=O)c2ccccc2[O-])C1 ZINC000235429875 387344849 /nfs/dbraw/zinc/34/48/49/387344849.db2.gz PPSJDOPBPWFDTG-CYBMUJFWSA-N -1 3 248.282 0.730 20 0 BCADHM Cc1ccnc(N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC000095333357 387454780 /nfs/dbraw/zinc/45/47/80/387454780.db2.gz QRZIYXOZEJEDPV-ZETCQYMHSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1ccnc(N(C)C[C@H](C)c2nn[n-]n2)n1 ZINC000095333357 387454785 /nfs/dbraw/zinc/45/47/85/387454785.db2.gz QRZIYXOZEJEDPV-ZETCQYMHSA-N -1 3 233.279 0.538 20 0 BCADHM O=S(=O)([N-]C1(CCO)CC1)c1ccccn1 ZINC000431565955 387405392 /nfs/dbraw/zinc/40/53/92/387405392.db2.gz RGINNRCBVWSUTJ-UHFFFAOYSA-N -1 3 242.300 0.275 20 0 BCADHM Cc1ccc([O-])c(CN2CN(C)C(=O)[C@@H]2C)n1 ZINC000648075855 387496549 /nfs/dbraw/zinc/49/65/49/387496549.db2.gz SBNJJZKAGKSWPW-VIFPVBQESA-N -1 3 235.287 0.716 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1C[C@H](O)C2(CC2)C1 ZINC000527168479 387516024 /nfs/dbraw/zinc/51/60/24/387516024.db2.gz CHZIXRNKMCWKAW-ZETCQYMHSA-N -1 3 240.284 0.446 20 0 BCADHM CO[N-]C(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC000375259745 387519477 /nfs/dbraw/zinc/51/94/77/387519477.db2.gz YXMWIJNEHFZJCV-NXEZZACHSA-N -1 3 235.287 0.832 20 0 BCADHM CO[C@H]1CCCC[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC000361763291 387531583 /nfs/dbraw/zinc/53/15/83/387531583.db2.gz DNYMKUBHEFDNSQ-IUCAKERBSA-N -1 3 240.307 0.156 20 0 BCADHM O=C(NC[C@@H]1CNCCO1)c1ccccc1[O-] ZINC000036285422 387582404 /nfs/dbraw/zinc/58/24/04/387582404.db2.gz HXEDXJIVSKZQOK-VIFPVBQESA-N -1 3 236.271 0.110 20 0 BCADHM CSc1nnc(NC(=O)[C@@H]2CCO[C@@H]2C)[n-]1 ZINC000356073647 387613462 /nfs/dbraw/zinc/61/34/62/387613462.db2.gz XXQBWVXLBLPIGM-PHDIDXHHSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H]2CCO[C@@H]2C)n1 ZINC000356073647 387613468 /nfs/dbraw/zinc/61/34/68/387613468.db2.gz XXQBWVXLBLPIGM-PHDIDXHHSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nc(NC(=O)[C@@H]2CCO[C@@H]2C)n[n-]1 ZINC000356073647 387613473 /nfs/dbraw/zinc/61/34/73/387613473.db2.gz XXQBWVXLBLPIGM-PHDIDXHHSA-N -1 3 242.304 0.890 20 0 BCADHM CC[C@H](O)CC[N-]S(=O)(=O)c1ccccn1 ZINC000305683229 387626598 /nfs/dbraw/zinc/62/65/98/387626598.db2.gz LKGDJNYCBNBSBT-VIFPVBQESA-N -1 3 244.316 0.521 20 0 BCADHM Cc1cnc(C(=O)[N-]c2ncn(C)n2)cn1 ZINC000356432202 387658096 /nfs/dbraw/zinc/65/80/96/387658096.db2.gz QQKVXKYYIQLQQY-UHFFFAOYSA-N -1 3 218.220 0.166 20 0 BCADHM C[C@@H](C[N-]S(=O)(=O)c1ccccn1)N(C)C ZINC000451940449 387683030 /nfs/dbraw/zinc/68/30/30/387683030.db2.gz YFCUMRFQFGSESK-VIFPVBQESA-N -1 3 243.332 0.310 20 0 BCADHM O=S(=O)([N-]C[C@H](O)C1CCC1)c1ccco1 ZINC000452052555 387716745 /nfs/dbraw/zinc/71/67/45/387716745.db2.gz MNLOYXCTYZKCHG-VIFPVBQESA-N -1 3 245.300 0.719 20 0 BCADHM COc1ccc(CN(C)[C@H](C)C(=O)[O-])cn1 ZINC000163009415 387769437 /nfs/dbraw/zinc/76/94/37/387769437.db2.gz HKBXTGBIQZGBBB-MRVPVSSYSA-N -1 3 224.260 0.995 20 0 BCADHM O=C1[N-]C(=O)N2CCN(CC3=CCCC3)C[C@H]12 ZINC000645842434 387798526 /nfs/dbraw/zinc/79/85/26/387798526.db2.gz QNSAAQQZGJCZJW-SNVBAGLBSA-N -1 3 235.287 0.333 20 0 BCADHM COc1ccccc1CCNC(=O)c1c[n-]nn1 ZINC000193702747 387802939 /nfs/dbraw/zinc/80/29/39/387802939.db2.gz AGKKPMNZHZNGMK-UHFFFAOYSA-N -1 3 246.270 0.786 20 0 BCADHM COc1ccccc1CCNC(=O)c1cnn[n-]1 ZINC000193702747 387802942 /nfs/dbraw/zinc/80/29/42/387802942.db2.gz AGKKPMNZHZNGMK-UHFFFAOYSA-N -1 3 246.270 0.786 20 0 BCADHM COc1ccccc1CCNC(=O)c1cn[n-]n1 ZINC000193702747 387802947 /nfs/dbraw/zinc/80/29/47/387802947.db2.gz AGKKPMNZHZNGMK-UHFFFAOYSA-N -1 3 246.270 0.786 20 0 BCADHM CSc1nnc(NC(=O)[C@@H]2CCCN2C)[n-]1 ZINC000356976880 387757192 /nfs/dbraw/zinc/75/71/92/387757192.db2.gz OTGSNTUAVKSQPE-LURJTMIESA-N -1 3 241.320 0.559 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H]2CCCN2C)n1 ZINC000356976880 387757195 /nfs/dbraw/zinc/75/71/95/387757195.db2.gz OTGSNTUAVKSQPE-LURJTMIESA-N -1 3 241.320 0.559 20 0 BCADHM CO[C@H](C)C[N-]S(=O)(=O)c1ccccn1 ZINC000442731297 387830351 /nfs/dbraw/zinc/83/03/51/387830351.db2.gz REEXRFHNSDIACF-MRVPVSSYSA-N -1 3 230.289 0.395 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000442743756 387833189 /nfs/dbraw/zinc/83/31/89/387833189.db2.gz CLWBZFRNPZBBKE-IONNQARKSA-N -1 3 235.305 0.062 20 0 BCADHM CCC[C@]1(CO)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000444772570 387927987 /nfs/dbraw/zinc/92/79/87/387927987.db2.gz OEBJEULHOXMSTM-LLVKDONJSA-N -1 3 240.307 0.637 20 0 BCADHM COC[C@@H](O)CNC(=O)c1ccc([O-])c(C)c1 ZINC000226999148 387951726 /nfs/dbraw/zinc/95/17/26/387951726.db2.gz BXDAYSATJORMRX-JTQLQIEISA-N -1 3 239.271 0.438 20 0 BCADHM CN(Cc1nncn1C)C(=O)c1ccccc1[O-] ZINC000288340679 387975136 /nfs/dbraw/zinc/97/51/36/387975136.db2.gz LJTZKYMFNINGHW-UHFFFAOYSA-N -1 3 246.270 0.793 20 0 BCADHM COc1ccc(CNC(=O)c2c[n-]nn2)cn1 ZINC000108453091 388024260 /nfs/dbraw/zinc/02/42/60/388024260.db2.gz WHSHDYYYMZKXNB-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1ccc(CNC(=O)c2cnn[n-]2)cn1 ZINC000108453091 388024264 /nfs/dbraw/zinc/02/42/64/388024264.db2.gz WHSHDYYYMZKXNB-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1ccc(CNC(=O)c2cn[n-]n2)cn1 ZINC000108453091 388024266 /nfs/dbraw/zinc/02/42/66/388024266.db2.gz WHSHDYYYMZKXNB-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM CN(C)[C@H](CNC(=O)c1c[n-]nn1)c1ccco1 ZINC000108285545 388024283 /nfs/dbraw/zinc/02/42/83/388024283.db2.gz BUHFNGLPXJDDTM-SECBINFHSA-N -1 3 249.274 0.430 20 0 BCADHM CN(C)[C@H](CNC(=O)c1cnn[n-]1)c1ccco1 ZINC000108285545 388024285 /nfs/dbraw/zinc/02/42/85/388024285.db2.gz BUHFNGLPXJDDTM-SECBINFHSA-N -1 3 249.274 0.430 20 0 BCADHM CN(C)[C@H](CNC(=O)c1cn[n-]n1)c1ccco1 ZINC000108285545 388024288 /nfs/dbraw/zinc/02/42/88/388024288.db2.gz BUHFNGLPXJDDTM-SECBINFHSA-N -1 3 249.274 0.430 20 0 BCADHM CC(C)(C)c1n[n-]c(S(=O)(=O)CCF)n1 ZINC000447502879 388074867 /nfs/dbraw/zinc/07/48/67/388074867.db2.gz WKWJLTFOCFOOPW-UHFFFAOYSA-N -1 3 235.284 0.845 20 0 BCADHM CC(C)(C)c1nnc(S(=O)(=O)CCF)[n-]1 ZINC000447502879 388074869 /nfs/dbraw/zinc/07/48/69/388074869.db2.gz WKWJLTFOCFOOPW-UHFFFAOYSA-N -1 3 235.284 0.845 20 0 BCADHM CC[C@H](C)CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646264995 388172776 /nfs/dbraw/zinc/17/27/76/388172776.db2.gz LAISWXJOJHLYPW-LURJTMIESA-N -1 3 222.252 0.827 20 0 BCADHM O=C(Nc1nnc2nc[nH]n21)c1ccccc1[O-] ZINC000646264670 388173154 /nfs/dbraw/zinc/17/31/54/388173154.db2.gz YBOUFWOPUXAZLE-UHFFFAOYSA-N -1 3 244.214 0.410 20 0 BCADHM O=C(Nc1n[nH]c2ncnn12)c1ccccc1[O-] ZINC000646264670 388173157 /nfs/dbraw/zinc/17/31/57/388173157.db2.gz YBOUFWOPUXAZLE-UHFFFAOYSA-N -1 3 244.214 0.410 20 0 BCADHM O=C(CCC1CCC1)[N-]c1nnc2[nH]cnn12 ZINC000646266751 388173315 /nfs/dbraw/zinc/17/33/15/388173315.db2.gz QRLLGUCHVFFAHM-UHFFFAOYSA-N -1 3 234.263 0.971 20 0 BCADHM CC(C)CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646269173 388173906 /nfs/dbraw/zinc/17/39/06/388173906.db2.gz KDKBYGWJGVNASF-UHFFFAOYSA-N -1 3 208.225 0.437 20 0 BCADHM COCCCCCS(=O)(=O)c1ncn[n-]1 ZINC000489106911 388204391 /nfs/dbraw/zinc/20/43/91/388204391.db2.gz XWLHXGDYQBWBPE-UHFFFAOYSA-N -1 3 233.293 0.395 20 0 BCADHM COCCCCCS(=O)(=O)c1nnc[n-]1 ZINC000489106911 388204392 /nfs/dbraw/zinc/20/43/92/388204392.db2.gz XWLHXGDYQBWBPE-UHFFFAOYSA-N -1 3 233.293 0.395 20 0 BCADHM CCCNS(=O)(=O)NCc1ncccc1[O-] ZINC000489806707 388224913 /nfs/dbraw/zinc/22/49/13/388224913.db2.gz LCVXXYGHVVXQLF-UHFFFAOYSA-N -1 3 245.304 0.121 20 0 BCADHM O=C(/C=C/c1nc2ccccc2o1)[N-]OCCO ZINC000492030077 388332058 /nfs/dbraw/zinc/33/20/58/388332058.db2.gz HYVMOVOZPMMFKI-AATRIKPKSA-N -1 3 248.238 0.881 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1ccco1)[C@H](C)O ZINC000451884772 388303065 /nfs/dbraw/zinc/30/30/65/388303065.db2.gz DKZGRXOEJRGIMH-JGVFFNPUSA-N -1 3 233.289 0.717 20 0 BCADHM C[C@@H]1CCO[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000451334898 388263259 /nfs/dbraw/zinc/26/32/59/388263259.db2.gz BIEKDSZTHMWWGT-KCJUWKMLSA-N -1 3 236.271 0.828 20 0 BCADHM NC(=O)OCCNC(=O)c1cccc2nn[n-]c21 ZINC000492372690 388342741 /nfs/dbraw/zinc/34/27/41/388342741.db2.gz URIBMLFGEUHLLD-UHFFFAOYSA-N -1 3 249.230 0.197 20 0 BCADHM NC(=O)OCCNC(=O)c1cccc2[n-]nnc21 ZINC000492372690 388342742 /nfs/dbraw/zinc/34/27/42/388342742.db2.gz URIBMLFGEUHLLD-UHFFFAOYSA-N -1 3 249.230 0.197 20 0 BCADHM NC(=O)OCCNC(=O)c1cccc2n[n-]nc21 ZINC000492372690 388342743 /nfs/dbraw/zinc/34/27/43/388342743.db2.gz URIBMLFGEUHLLD-UHFFFAOYSA-N -1 3 249.230 0.197 20 0 BCADHM O=C(/C=C/c1cscn1)[N-]O[C@@H]1CCOC1 ZINC000492430340 388344093 /nfs/dbraw/zinc/34/40/93/388344093.db2.gz XUPARGLWTWHONU-GPYPMJJRSA-N -1 3 240.284 0.993 20 0 BCADHM CNC(=O)CCNC(=O)/C=C/c1cncc([O-])c1 ZINC000492438518 388344442 /nfs/dbraw/zinc/34/44/42/388344442.db2.gz JEQZYYPKJCDHAO-NSCUHMNNSA-N -1 3 249.270 0.053 20 0 BCADHM C[C@@H](O)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492441941 388344498 /nfs/dbraw/zinc/34/44/98/388344498.db2.gz OGZPGDFDOMHPOF-YAJNLLPGSA-N -1 3 222.244 0.297 20 0 BCADHM CCN(C)C(=O)[C@@H](C)[N-]C(=O)C(F)F ZINC000233442899 388346979 /nfs/dbraw/zinc/34/69/79/388346979.db2.gz HAJDMDFUDXAVBB-RXMQYKEDSA-N -1 3 208.208 0.235 20 0 BCADHM C[C@H](N)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000516574569 388352202 /nfs/dbraw/zinc/35/22/02/388352202.db2.gz SPOQDVHLOKXXEE-YUMQZZPRSA-N -1 3 230.308 0.729 20 0 BCADHM O=C(NC1(CCO)CC1)c1ccc2n[n-]nc2c1 ZINC000646424511 388356197 /nfs/dbraw/zinc/35/61/97/388356197.db2.gz GQNTYNGTILXTRY-UHFFFAOYSA-N -1 3 246.270 0.603 20 0 BCADHM CCc1nccn1[C@@H](C)CC(=O)Nc1nnn[n-]1 ZINC000648788513 388356759 /nfs/dbraw/zinc/35/67/59/388356759.db2.gz KCKRRHFLKOMHPK-ZETCQYMHSA-N -1 3 249.278 0.548 20 0 BCADHM CCc1nccn1[C@@H](C)CC(=O)Nc1nn[n-]n1 ZINC000648788513 388356762 /nfs/dbraw/zinc/35/67/62/388356762.db2.gz KCKRRHFLKOMHPK-ZETCQYMHSA-N -1 3 249.278 0.548 20 0 BCADHM CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)[O-] ZINC000309687531 388369721 /nfs/dbraw/zinc/36/97/21/388369721.db2.gz OOSAMTQEQMKVFP-RKDXNWHRSA-N -1 3 230.308 0.552 20 0 BCADHM O=C(NC[C@@H](O)C(F)F)c1c([O-])cccc1O ZINC000236535770 388380363 /nfs/dbraw/zinc/38/03/63/388380363.db2.gz DIFULFIXUCVILW-SSDOTTSWSA-N -1 3 247.197 0.454 20 0 BCADHM COCCNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646561286 388382801 /nfs/dbraw/zinc/38/28/01/388382801.db2.gz ZFDWNNBVYXYFPG-UHFFFAOYSA-N -1 3 235.243 0.645 20 0 BCADHM O=C(NCC(F)(F)F)c1cc([O-])cc(=O)[nH]1 ZINC000646634833 388399270 /nfs/dbraw/zinc/39/92/70/388399270.db2.gz XIYYAGPHIPODQI-UHFFFAOYSA-N -1 3 236.149 0.785 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)/C=C/C1CCC1 ZINC000492094892 388334801 /nfs/dbraw/zinc/33/48/01/388334801.db2.gz ZOEUSHTTWGMRQN-MVIFTORASA-N -1 3 249.314 0.971 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCCN(C(=O)OCC)C1 ZINC000071851167 388453302 /nfs/dbraw/zinc/45/33/02/388453302.db2.gz OPBDQPSPDXEFET-VIFPVBQESA-N -1 3 244.291 0.923 20 0 BCADHM Cc1cc(C(=O)N2CC(O)C2)ccc1[O-] ZINC000227039704 177747327 /nfs/dbraw/zinc/74/73/27/177747327.db2.gz ZNUMAZJMDWMJPR-UHFFFAOYSA-N -1 3 207.229 0.517 20 0 BCADHM O=C(N[C@H]1COc2ccccc2C1)c1c[n-]nn1 ZINC000194182113 388481010 /nfs/dbraw/zinc/48/10/10/388481010.db2.gz BPLMEQYRTVCFFE-SECBINFHSA-N -1 3 244.254 0.538 20 0 BCADHM O=C(N[C@H]1COc2ccccc2C1)c1cnn[n-]1 ZINC000194182113 388481014 /nfs/dbraw/zinc/48/10/14/388481014.db2.gz BPLMEQYRTVCFFE-SECBINFHSA-N -1 3 244.254 0.538 20 0 BCADHM O=C(N[C@H]1COc2ccccc2C1)c1cn[n-]n1 ZINC000194182113 388481016 /nfs/dbraw/zinc/48/10/16/388481016.db2.gz BPLMEQYRTVCFFE-SECBINFHSA-N -1 3 244.254 0.538 20 0 BCADHM CCC(CC)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000515379288 256742842 /nfs/dbraw/zinc/74/28/42/256742842.db2.gz RBFUHCSZLCXBIE-UHFFFAOYSA-N -1 3 231.321 0.887 20 0 BCADHM O=C(Nc1ccc2n[nH]cc2c1)c1cnn[n-]1 ZINC000108453319 388464954 /nfs/dbraw/zinc/46/49/54/388464954.db2.gz MMXDQMATWMYXGI-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1ccc2n[nH]cc2c1)c1c[n-]nn1 ZINC000108453319 388464956 /nfs/dbraw/zinc/46/49/56/388464956.db2.gz MMXDQMATWMYXGI-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1ccc2n[nH]cc2c1)c1cn[n-]n1 ZINC000108453319 388464958 /nfs/dbraw/zinc/46/49/58/388464958.db2.gz MMXDQMATWMYXGI-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM CN(C)c1ncccc1CNC(=O)c1c[n-]nn1 ZINC000194180971 388481715 /nfs/dbraw/zinc/48/17/15/388481715.db2.gz ASEVKHNFFQHYOB-UHFFFAOYSA-N -1 3 246.274 0.196 20 0 BCADHM CN(C)c1ncccc1CNC(=O)c1cnn[n-]1 ZINC000194180971 388481718 /nfs/dbraw/zinc/48/17/18/388481718.db2.gz ASEVKHNFFQHYOB-UHFFFAOYSA-N -1 3 246.274 0.196 20 0 BCADHM CN(C)c1ncccc1CNC(=O)c1cn[n-]n1 ZINC000194180971 388481722 /nfs/dbraw/zinc/48/17/22/388481722.db2.gz ASEVKHNFFQHYOB-UHFFFAOYSA-N -1 3 246.274 0.196 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CC=CC1 ZINC000524859548 388411788 /nfs/dbraw/zinc/41/17/88/388411788.db2.gz QIDDJTQVIVXJIZ-SNVBAGLBSA-N -1 3 235.287 0.581 20 0 BCADHM Cc1cocc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000528554047 388545714 /nfs/dbraw/zinc/54/57/14/388545714.db2.gz SZUBLHHHSQCDBG-SECBINFHSA-N -1 3 249.270 0.830 20 0 BCADHM CCN1CCCN(Cc2ncccc2[O-])CC1=O ZINC000517348494 388546636 /nfs/dbraw/zinc/54/66/36/388546636.db2.gz INIVHAWGUDGJBY-UHFFFAOYSA-N -1 3 249.314 0.841 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1COC1 ZINC000528562427 388547643 /nfs/dbraw/zinc/54/76/43/388547643.db2.gz AQRMGYRASSQLMQ-UHFFFAOYSA-N -1 3 246.288 0.216 20 0 BCADHM CCCN(CC(N)=O)C(=O)c1ccccc1[O-] ZINC000310482733 388483940 /nfs/dbraw/zinc/48/39/40/388483940.db2.gz FDWZBYLQHMZEBA-UHFFFAOYSA-N -1 3 236.271 0.730 20 0 BCADHM CNC(=O)[C@H](C)CN(C)Cc1ncccc1[O-] ZINC000516814336 388518170 /nfs/dbraw/zinc/51/81/70/388518170.db2.gz OMPHNPVWQHMGLB-SECBINFHSA-N -1 3 237.303 0.601 20 0 BCADHM Cc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)co1 ZINC000548364816 388531673 /nfs/dbraw/zinc/53/16/73/388531673.db2.gz SIYDECQWXSXKCP-JTQLQIEISA-N -1 3 249.270 0.830 20 0 BCADHM CCCOCC(=O)Nc1[n-]cnc1C(=O)OC ZINC000550075218 388597568 /nfs/dbraw/zinc/59/75/68/388597568.db2.gz RMJVDVYWPQRFFT-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM CCCOCC(=O)Nc1nc[n-]c1C(=O)OC ZINC000550075218 388597570 /nfs/dbraw/zinc/59/75/70/388597570.db2.gz RMJVDVYWPQRFFT-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM Cn1cnc(CNC(=O)c2ccc(O)cc2[O-])n1 ZINC000219769462 388597905 /nfs/dbraw/zinc/59/79/05/388597905.db2.gz DIAKMSHLHJCZJT-UHFFFAOYSA-N -1 3 248.242 0.156 20 0 BCADHM O=C(NCC1COC1)c1cccc2nn[n-]c21 ZINC000530115248 388610410 /nfs/dbraw/zinc/61/04/10/388610410.db2.gz BCKXYZDRRVQXNV-UHFFFAOYSA-N -1 3 232.243 0.334 20 0 BCADHM O=C(NCC1COC1)c1cccc2[n-]nnc21 ZINC000530115248 388610414 /nfs/dbraw/zinc/61/04/14/388610414.db2.gz BCKXYZDRRVQXNV-UHFFFAOYSA-N -1 3 232.243 0.334 20 0 BCADHM O=C(NCC1COC1)c1cccc2n[n-]nc21 ZINC000530115248 388610415 /nfs/dbraw/zinc/61/04/15/388610415.db2.gz BCKXYZDRRVQXNV-UHFFFAOYSA-N -1 3 232.243 0.334 20 0 BCADHM O=C(NC1CC1)c1c[n-]c2ccncc2c1=O ZINC000517544859 388551948 /nfs/dbraw/zinc/55/19/48/388551948.db2.gz ATEHKIMQSXBFOE-UHFFFAOYSA-N -1 3 229.239 0.815 20 0 BCADHM O=C([N-]c1nncn1C1CC1)[C@H]1CCCO1 ZINC000285801730 388558307 /nfs/dbraw/zinc/55/83/07/388558307.db2.gz MURLDOPTOJEFBY-MRVPVSSYSA-N -1 3 222.248 0.731 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)C(N)C(F)(F)F ZINC000521052357 388561316 /nfs/dbraw/zinc/56/13/16/388561316.db2.gz SKBDSCLTMWYBOF-LURJTMIESA-N -1 3 242.197 0.199 20 0 BCADHM CN(C)S(=O)(=O)Nc1cccc(F)c1[O-] ZINC000530145580 388615941 /nfs/dbraw/zinc/61/59/41/388615941.db2.gz RADRFUVXVFSLTI-UHFFFAOYSA-N -1 3 234.252 0.750 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cccc(F)c1O ZINC000530145580 388615942 /nfs/dbraw/zinc/61/59/42/388615942.db2.gz RADRFUVXVFSLTI-UHFFFAOYSA-N -1 3 234.252 0.750 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000528764917 388569312 /nfs/dbraw/zinc/56/93/12/388569312.db2.gz PBIHHOPEBCYOPN-AYHNYZOXSA-N -1 3 226.280 0.412 20 0 BCADHM O=C([O-])[C@@H]1CCCCN1C[C@@H](O)C(F)(F)F ZINC000225442377 388679146 /nfs/dbraw/zinc/67/91/46/388679146.db2.gz ZKQSHZZKCNEVHO-NKWVEPMBSA-N -1 3 241.209 0.849 20 0 BCADHM CCCCN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530173297 388620691 /nfs/dbraw/zinc/62/06/91/388620691.db2.gz UJYXKYMQTGWBLY-BDAKNGLRSA-N -1 3 201.266 0.960 20 0 BCADHM CS(=O)(=O)[N-]c1c(F)cccc1CO ZINC000551560232 388633330 /nfs/dbraw/zinc/63/33/30/388633330.db2.gz REVFUVXUXIEOEV-UHFFFAOYSA-N -1 3 219.237 0.690 20 0 BCADHM O=C(NCc1cnc2n1CCCC2)c1c[n-]nn1 ZINC000551780765 388639966 /nfs/dbraw/zinc/63/99/66/388639966.db2.gz GVADQLGQLWAOCX-UHFFFAOYSA-N -1 3 246.274 0.268 20 0 BCADHM O=C(NCc1cnc2n1CCCC2)c1cnn[n-]1 ZINC000551780765 388639969 /nfs/dbraw/zinc/63/99/69/388639969.db2.gz GVADQLGQLWAOCX-UHFFFAOYSA-N -1 3 246.274 0.268 20 0 BCADHM O=C(NCc1cnc2n1CCCC2)c1cn[n-]n1 ZINC000551780765 388639972 /nfs/dbraw/zinc/63/99/72/388639972.db2.gz GVADQLGQLWAOCX-UHFFFAOYSA-N -1 3 246.274 0.268 20 0 BCADHM O=C(Nc1n[nH]cc1C1CC1)c1nnc[n-]1 ZINC000648975624 388658675 /nfs/dbraw/zinc/65/86/75/388658675.db2.gz NIHMMRQEHZZFFZ-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM O=C(Nc1n[nH]cc1C1CC1)c1nc[n-]n1 ZINC000648975624 388658677 /nfs/dbraw/zinc/65/86/77/388658677.db2.gz NIHMMRQEHZZFFZ-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(C)(C)C ZINC000522253850 388735812 /nfs/dbraw/zinc/73/58/12/388735812.db2.gz YBXJXQXJUJYFGD-QMMMGPOBSA-N -1 3 225.292 0.661 20 0 BCADHM Cc1ccoc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522254502 388735984 /nfs/dbraw/zinc/73/59/84/388735984.db2.gz PSPCHMCAJDSQRX-VIFPVBQESA-N -1 3 249.270 0.830 20 0 BCADHM O=C(NC1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553200716 388753129 /nfs/dbraw/zinc/75/31/29/388753129.db2.gz QMHZKTGNMKHEIA-UHFFFAOYSA-N -1 3 219.244 0.952 20 0 BCADHM CC[C@H](C)C[C@@H](CO)NC(=O)c1c[n-]nn1 ZINC000649051016 388753266 /nfs/dbraw/zinc/75/32/66/388753266.db2.gz JQJBNPMAZNGCON-YUMQZZPRSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@H](C)C[C@@H](CO)NC(=O)c1cnn[n-]1 ZINC000649051016 388753268 /nfs/dbraw/zinc/75/32/68/388753268.db2.gz JQJBNPMAZNGCON-YUMQZZPRSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@H](C)C[C@@H](CO)NC(=O)c1cn[n-]n1 ZINC000649051016 388753272 /nfs/dbraw/zinc/75/32/72/388753272.db2.gz JQJBNPMAZNGCON-YUMQZZPRSA-N -1 3 226.280 0.332 20 0 BCADHM Cn1cnnc1CNC(=O)c1ccc(O)cc1[O-] ZINC000227555089 388753891 /nfs/dbraw/zinc/75/38/91/388753891.db2.gz QHACYFFPHWOWGS-UHFFFAOYSA-N -1 3 248.242 0.156 20 0 BCADHM Cc1ccccc1[C@H](CO)NC(=O)c1c[n-]nn1 ZINC000552330738 388694484 /nfs/dbraw/zinc/69/44/84/388694484.db2.gz HMYBDUKOWBGZDP-NSHDSACASA-N -1 3 246.270 0.577 20 0 BCADHM Cc1ccccc1[C@H](CO)NC(=O)c1cnn[n-]1 ZINC000552330738 388694486 /nfs/dbraw/zinc/69/44/86/388694486.db2.gz HMYBDUKOWBGZDP-NSHDSACASA-N -1 3 246.270 0.577 20 0 BCADHM Cc1ccccc1[C@H](CO)NC(=O)c1cn[n-]n1 ZINC000552330738 388694487 /nfs/dbraw/zinc/69/44/87/388694487.db2.gz HMYBDUKOWBGZDP-NSHDSACASA-N -1 3 246.270 0.577 20 0 BCADHM O=C([O-])[C@@H]1CSCCN1CCn1ccnc1 ZINC000126711368 388701134 /nfs/dbraw/zinc/70/11/34/388701134.db2.gz JJXAFCBPUXTNBV-VIFPVBQESA-N -1 3 241.316 0.385 20 0 BCADHM Cc1cc(C(=O)NCCCO)ccc1[O-] ZINC000226716013 388727337 /nfs/dbraw/zinc/72/73/37/388727337.db2.gz FOVKSAFQAHPSNC-UHFFFAOYSA-N -1 3 209.245 0.813 20 0 BCADHM CCOC1CC(N(C)Cc2nc(=O)n(C)[n-]2)C1 ZINC000553944113 388795156 /nfs/dbraw/zinc/79/51/56/388795156.db2.gz MNSHQEVTFPNEEF-UHFFFAOYSA-N -1 3 240.307 0.108 20 0 BCADHM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000649098393 388802553 /nfs/dbraw/zinc/80/25/53/388802553.db2.gz CYASNDBTPNWTQK-OCAPTIKFSA-N -1 3 238.291 0.881 20 0 BCADHM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000649098393 388802556 /nfs/dbraw/zinc/80/25/56/388802556.db2.gz CYASNDBTPNWTQK-OCAPTIKFSA-N -1 3 238.291 0.881 20 0 BCADHM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000649098393 388802558 /nfs/dbraw/zinc/80/25/58/388802558.db2.gz CYASNDBTPNWTQK-OCAPTIKFSA-N -1 3 238.291 0.881 20 0 BCADHM Cc1noc(CNC(=O)c2ccc(O)cc2[O-])n1 ZINC000227862068 388761938 /nfs/dbraw/zinc/76/19/38/388761938.db2.gz IZSHBAPJSGLKGN-UHFFFAOYSA-N -1 3 249.226 0.719 20 0 BCADHM CC[C@@](C)(O)CNC(=O)Cc1cncc([O-])c1 ZINC000553493308 388778399 /nfs/dbraw/zinc/77/83/99/388778399.db2.gz ZZNICAAFQRPUEI-GFCCVEGCSA-N -1 3 238.287 0.607 20 0 BCADHM CO[C@H]1C[C@@H](N(C)c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000553600816 388783504 /nfs/dbraw/zinc/78/35/04/388783504.db2.gz AIVYNVPBXMAODG-KNVOCYPGSA-N -1 3 248.290 0.331 20 0 BCADHM C[C@@H]1OCC[C@]1(C)NC(=O)c1c[n-]nn1 ZINC000230180461 388819883 /nfs/dbraw/zinc/81/98/83/388819883.db2.gz NYPYOUZLCYLVAC-RCOVLWMOSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H]1OCC[C@]1(C)NC(=O)c1cnn[n-]1 ZINC000230180461 388819886 /nfs/dbraw/zinc/81/98/86/388819886.db2.gz NYPYOUZLCYLVAC-RCOVLWMOSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H]1OCC[C@]1(C)NC(=O)c1cn[n-]n1 ZINC000230180461 388819891 /nfs/dbraw/zinc/81/98/91/388819891.db2.gz NYPYOUZLCYLVAC-RCOVLWMOSA-N -1 3 210.237 0.102 20 0 BCADHM COc1ccnc(NC(=O)c2cnn[n-]2)c1 ZINC000129388897 388838578 /nfs/dbraw/zinc/83/85/78/388838578.db2.gz OCSBKZCDGDLLND-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1ccnc(NC(=O)c2c[n-]nn2)c1 ZINC000129388897 388838580 /nfs/dbraw/zinc/83/85/80/388838580.db2.gz OCSBKZCDGDLLND-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1ccnc(NC(=O)c2cn[n-]n2)c1 ZINC000129388897 388838583 /nfs/dbraw/zinc/83/85/83/388838583.db2.gz OCSBKZCDGDLLND-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1nnc(NC(=O)CSC(C)C)[n-]1 ZINC000129583509 388854759 /nfs/dbraw/zinc/85/47/59/388854759.db2.gz CMJDHTBRYDRAJI-UHFFFAOYSA-N -1 3 230.293 0.893 20 0 BCADHM COc1nc(NC(=O)CSC(C)C)n[n-]1 ZINC000129583509 388854765 /nfs/dbraw/zinc/85/47/65/388854765.db2.gz CMJDHTBRYDRAJI-UHFFFAOYSA-N -1 3 230.293 0.893 20 0 BCADHM COc1n[n-]c(NC(=O)CSC(C)C)n1 ZINC000129583509 388854767 /nfs/dbraw/zinc/85/47/67/388854767.db2.gz CMJDHTBRYDRAJI-UHFFFAOYSA-N -1 3 230.293 0.893 20 0 BCADHM CO[C@@H](C)CNC(=O)Cc1cncc([O-])c1 ZINC000565211640 388925600 /nfs/dbraw/zinc/92/56/00/388925600.db2.gz CRAPYQHHHNNKBV-QMMMGPOBSA-N -1 3 224.260 0.481 20 0 BCADHM CC(C)[C@@H](CO)NC(=O)Cc1cncc([O-])c1 ZINC000565216370 388926735 /nfs/dbraw/zinc/92/67/35/388926735.db2.gz XFNDAVDCHGAZBU-LLVKDONJSA-N -1 3 238.287 0.463 20 0 BCADHM Cc1cnc(SCc2cn[nH]n2)[n-]c1=O ZINC000565727629 388966523 /nfs/dbraw/zinc/96/65/23/388966523.db2.gz QBUNDWYBWNZFKK-UHFFFAOYSA-N -1 3 223.261 0.901 20 0 BCADHM Cc1cnc(SCc2c[nH]nn2)[n-]c1=O ZINC000565727629 388966526 /nfs/dbraw/zinc/96/65/26/388966526.db2.gz QBUNDWYBWNZFKK-UHFFFAOYSA-N -1 3 223.261 0.901 20 0 BCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000566059943 388986018 /nfs/dbraw/zinc/98/60/18/388986018.db2.gz JSTBCJNXMHVNAI-BQBZGAKWSA-N -1 3 235.243 0.237 20 0 BCADHM O=C(NC1CCOCC1)c1ccc2n[n-]nc2c1 ZINC000080401065 224486080 /nfs/dbraw/zinc/48/60/80/224486080.db2.gz PNXMUGFHCARIEU-UHFFFAOYSA-N -1 3 246.270 0.867 20 0 BCADHM C[C@@H](CC(N)=O)NC(=O)/C=C\c1cncc([O-])c1 ZINC000493363227 533494338 /nfs/dbraw/zinc/49/43/38/533494338.db2.gz DYXFFTWGAUMQJB-KZUAUGPASA-N -1 3 249.270 0.181 20 0 BCADHM CC1CCN(c2nc3[nH][n-]cc-3c(=N)n2)CC1 ZINC000341913082 132226869 /nfs/dbraw/zinc/22/68/69/132226869.db2.gz BLXSXFVMOCKHCN-UHFFFAOYSA-N -1 3 232.291 0.953 20 0 BCADHM N=c1nc(N2CCC[C@H](F)C2)nc2[nH][n-]cc1-2 ZINC000357690530 132274540 /nfs/dbraw/zinc/27/45/40/132274540.db2.gz ZQYMIOVZHIISFE-LURJTMIESA-N -1 3 236.254 0.655 20 0 BCADHM CCCCN(C)S(=O)(=O)[N-]CC(F)F ZINC000074969852 133446669 /nfs/dbraw/zinc/44/66/69/133446669.db2.gz NOYINPJHPJZURZ-UHFFFAOYSA-N -1 3 230.280 0.818 20 0 BCADHM CN1CCC[C@@H](NC(=O)c2cccc([O-])c2)C1=O ZINC000335961154 134027126 /nfs/dbraw/zinc/02/71/26/134027126.db2.gz YRLARLYQASLCHY-LLVKDONJSA-N -1 3 248.282 0.743 20 0 BCADHM O=C1CNC(=O)N1Cc1ccc([O-])c(F)c1 ZINC000335963631 134027576 /nfs/dbraw/zinc/02/75/76/134027576.db2.gz IYOKLAPEXWDSNR-UHFFFAOYSA-N -1 3 224.191 0.583 20 0 BCADHM CC[C@@H]1CC[C@@H](C)N1Cc1nc(=O)n(C)[n-]1 ZINC000336002354 134047718 /nfs/dbraw/zinc/04/77/18/134047718.db2.gz QHJLTLPDRACGRP-RKDXNWHRSA-N -1 3 224.308 0.871 20 0 BCADHM C[N-]S(=O)(=O)c1cc(NC(N)=O)ccc1F ZINC000352083910 134061154 /nfs/dbraw/zinc/06/11/54/134061154.db2.gz RNLYBFZCALMPNB-UHFFFAOYSA-N -1 3 247.251 0.224 20 0 BCADHM CC[C@H]1[C@@H](C)CCN1Cc1nc(=O)n(C)[n-]1 ZINC000336078270 134073597 /nfs/dbraw/zinc/07/35/97/134073597.db2.gz TYJZJIRRNUCQNT-IUCAKERBSA-N -1 3 224.308 0.729 20 0 BCADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)C(N)=O)c1 ZINC000183207637 134352821 /nfs/dbraw/zinc/35/28/21/134352821.db2.gz UCLHTHFGZKRHCJ-ZETCQYMHSA-N -1 3 236.271 0.558 20 0 BCADHM Cc1cnc(C[N-]S(=O)(=O)c2c[nH]cn2)o1 ZINC000226824019 134370092 /nfs/dbraw/zinc/37/00/92/134370092.db2.gz NGPUQHQECMRDRH-UHFFFAOYSA-N -1 3 242.260 0.185 20 0 BCADHM O=C([O-])CCN1CCN2CCCC[C@H]2C1 ZINC000086929940 135102926 /nfs/dbraw/zinc/10/29/26/135102926.db2.gz MKOZODJPABAPBE-JTQLQIEISA-N -1 3 212.293 0.631 20 0 BCADHM CC(C)[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])N(C)C ZINC000261569106 135211065 /nfs/dbraw/zinc/21/10/65/135211065.db2.gz GCYLWCYMCKJSND-DTWKUNHWSA-N -1 3 230.308 0.504 20 0 BCADHM CCC[C@@H](C)N(C)CC(=O)NCC(=O)[O-] ZINC000261585795 135226930 /nfs/dbraw/zinc/22/69/30/135226930.db2.gz QPVCSPYYZXKDGY-MRVPVSSYSA-N -1 3 216.281 0.308 20 0 BCADHM C[C@@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000261587945 135228469 /nfs/dbraw/zinc/22/84/69/135228469.db2.gz RZKYSMUZHJKDOT-XHNCKOQMSA-N -1 3 228.292 0.449 20 0 BCADHM COCCN1CCN([C@@H](C)C(=O)[O-])C[C@H]1C ZINC000261587618 135228559 /nfs/dbraw/zinc/22/85/59/135228559.db2.gz RVMRYZLAXQILJK-ZJUUUORDSA-N -1 3 230.308 0.112 20 0 BCADHM CCN(CC)CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000261592383 135232531 /nfs/dbraw/zinc/23/25/31/135232531.db2.gz VUEVGVVYDBBUNB-VIFPVBQESA-N -1 3 228.292 0.404 20 0 BCADHM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)C)C1CC1 ZINC000342291048 135256767 /nfs/dbraw/zinc/25/67/67/135256767.db2.gz LIEZDKXNRZQRPY-VIFPVBQESA-N -1 3 249.332 0.513 20 0 BCADHM C[C@@H]1CCC[C@H](N(C)CC(=O)NCC(=O)[O-])C1 ZINC000262147465 135282200 /nfs/dbraw/zinc/28/22/00/135282200.db2.gz AGTAOWVAOQFHJR-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM C[C@@H]1CCC[C@H](C)N(CC(=O)NCC(=O)[O-])C1 ZINC000262236839 135285939 /nfs/dbraw/zinc/28/59/39/135285939.db2.gz NZULCNBDADRLNK-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@@H]1CN([C@H](C)C(=O)[O-])CCN1CCOC ZINC000262226850 135286131 /nfs/dbraw/zinc/28/61/31/135286131.db2.gz LJLNXURJPZNKSV-GHMZBOCLSA-N -1 3 244.335 0.502 20 0 BCADHM CCCN1CCCN(CCCC(=O)[O-])CC1=O ZINC000262536699 135304646 /nfs/dbraw/zinc/30/46/46/135304646.db2.gz QLIAMGIUZFMHMN-UHFFFAOYSA-N -1 3 242.319 0.796 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCN(c2cnn(C)c2)CC1 ZINC000262569425 135305975 /nfs/dbraw/zinc/30/59/75/135305975.db2.gz YSIYNJIYPCEJMG-VIFPVBQESA-N -1 3 238.291 0.015 20 0 BCADHM CCCN(C)CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262686916 135313789 /nfs/dbraw/zinc/31/37/89/135313789.db2.gz VFHMOOOIRMBNBI-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000262852338 135322029 /nfs/dbraw/zinc/32/20/29/135322029.db2.gz GOFAVOJXZSIDEP-AEJSXWLSSA-N -1 3 242.319 0.791 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CC(F)(F)CN1 ZINC000263060089 135329845 /nfs/dbraw/zinc/32/98/45/135329845.db2.gz VGFPRUALYUWCMF-ZCFIWIBFSA-N -1 3 243.213 0.723 20 0 BCADHM Cc1cc(CCNC(=O)c2c[n-]nn2)on1 ZINC000343101253 135354475 /nfs/dbraw/zinc/35/44/75/135354475.db2.gz BKYYWJBULQAOAL-UHFFFAOYSA-N -1 3 221.220 0.074 20 0 BCADHM Cc1cc(CCNC(=O)c2cnn[n-]2)on1 ZINC000343101253 135354477 /nfs/dbraw/zinc/35/44/77/135354477.db2.gz BKYYWJBULQAOAL-UHFFFAOYSA-N -1 3 221.220 0.074 20 0 BCADHM Cc1cc(CCNC(=O)c2cn[n-]n2)on1 ZINC000343101253 135354479 /nfs/dbraw/zinc/35/44/79/135354479.db2.gz BKYYWJBULQAOAL-UHFFFAOYSA-N -1 3 221.220 0.074 20 0 BCADHM FC(F)[C@H]1C[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000348220596 136046911 /nfs/dbraw/zinc/04/69/11/136046911.db2.gz ITFNSUWLONBZMA-UJURSFKZSA-N -1 3 225.202 0.792 20 0 BCADHM C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1C ZINC000335328301 136052769 /nfs/dbraw/zinc/05/27/69/136052769.db2.gz JCLUIIXKTZHCES-YUMQZZPRSA-N -1 3 210.281 0.196 20 0 BCADHM Cn1cc(NC(=O)NCc2ncccc2[O-])cn1 ZINC000348470664 136079920 /nfs/dbraw/zinc/07/99/20/136079920.db2.gz AKYHKYICSFRAHM-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)n1 ZINC000335379254 136086548 /nfs/dbraw/zinc/08/65/48/136086548.db2.gz LGCODSVHXHAGPZ-DTWKUNHWSA-N -1 3 241.316 0.497 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)n1 ZINC000335395982 136092379 /nfs/dbraw/zinc/09/23/79/136092379.db2.gz DXPBNAZMBZAHRY-YUMQZZPRSA-N -1 3 247.295 0.589 20 0 BCADHM O=S(=O)([N-][C@H]1CCC[C@H]1CO)c1ccco1 ZINC000335584845 136102026 /nfs/dbraw/zinc/10/20/26/136102026.db2.gz UFILSZQFKHNMIA-IUCAKERBSA-N -1 3 245.300 0.719 20 0 BCADHM Cc1ccc([O-])c(CN(C)[C@H]2COC[C@H]2O)n1 ZINC000348642727 136114783 /nfs/dbraw/zinc/11/47/83/136114783.db2.gz LEPDOJTYMRTMQW-CMPLNLGQSA-N -1 3 238.287 0.287 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H](CO)C1 ZINC000051883924 322852395 /nfs/dbraw/zinc/85/23/95/322852395.db2.gz RSEGMAQOHAOWPY-MRVPVSSYSA-N -1 3 237.255 0.552 20 0 BCADHM CSC[C@@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000122259030 397812385 /nfs/dbraw/zinc/81/23/85/397812385.db2.gz DIFNTNJKPZTUSI-ZCFIWIBFSA-N -1 3 235.334 0.440 20 0 BCADHM CC(C)(O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000185871479 397874497 /nfs/dbraw/zinc/87/44/97/397874497.db2.gz UVVYKDPYCNDUCC-UHFFFAOYSA-N -1 3 227.235 0.918 20 0 BCADHM CSCCCCNC(=O)c1c[n-]nn1 ZINC000119087127 397880391 /nfs/dbraw/zinc/88/03/91/397880391.db2.gz SOMQYLIQCCMXJK-UHFFFAOYSA-N -1 3 214.294 0.678 20 0 BCADHM CSCCCCNC(=O)c1cnn[n-]1 ZINC000119087127 397880395 /nfs/dbraw/zinc/88/03/95/397880395.db2.gz SOMQYLIQCCMXJK-UHFFFAOYSA-N -1 3 214.294 0.678 20 0 BCADHM CSCCCCNC(=O)c1cn[n-]n1 ZINC000119087127 397880400 /nfs/dbraw/zinc/88/04/00/397880400.db2.gz SOMQYLIQCCMXJK-UHFFFAOYSA-N -1 3 214.294 0.678 20 0 BCADHM CCc1ccc(C(=O)N2CC(O)C2)c([O-])c1 ZINC000188332102 397882763 /nfs/dbraw/zinc/88/27/63/397882763.db2.gz ONUOKZVUJBUNSV-UHFFFAOYSA-N -1 3 221.256 0.771 20 0 BCADHM CC1(C)CN(c2ccncc2C(=O)[O-])C[C@H]1O ZINC000387833824 397935523 /nfs/dbraw/zinc/93/55/23/397935523.db2.gz ZWORMAYYURDHHA-SNVBAGLBSA-N -1 3 236.271 0.987 20 0 BCADHM O=S(=O)([N-]c1cncnc1)N1CCCCC1 ZINC000274294593 398007918 /nfs/dbraw/zinc/00/79/18/398007918.db2.gz PPNXZTCZWFVYSE-UHFFFAOYSA-N -1 3 242.304 0.619 20 0 BCADHM Cn1[n-]c(CN2CCC23CCCC3)nc1=O ZINC000649657797 398026074 /nfs/dbraw/zinc/02/60/74/398026074.db2.gz NFHGEDGAMXVFGT-UHFFFAOYSA-N -1 3 222.292 0.627 20 0 BCADHM COC(=O)NCCC(=O)[N-]O[C@H]1CCCCO1 ZINC000491266977 398035247 /nfs/dbraw/zinc/03/52/47/398035247.db2.gz VYPRGEPANSRDFA-VIFPVBQESA-N -1 3 246.263 0.307 20 0 BCADHM Cc1cc(CNC(C)(C)C(=O)[O-])n(C)n1 ZINC000084261294 398039644 /nfs/dbraw/zinc/03/96/44/398039644.db2.gz DKJCUEDTMHBFOX-UHFFFAOYSA-N -1 3 211.265 0.681 20 0 BCADHM Cc1cc(C(=O)N2CC[C@@H](O)C2)ccc1[O-] ZINC000202526106 397970210 /nfs/dbraw/zinc/97/02/10/397970210.db2.gz VIHWRMFYHWRXLX-SNVBAGLBSA-N -1 3 221.256 0.907 20 0 BCADHM Cn1cncc1CNC(=O)c1ccc(O)cc1[O-] ZINC000388448193 397978527 /nfs/dbraw/zinc/97/85/27/397978527.db2.gz NISMVNAYPCNARS-UHFFFAOYSA-N -1 3 247.254 0.761 20 0 BCADHM CC(C)(C)c1noc([C@@H]2CCS(=O)(=O)[N-]2)n1 ZINC000650207109 397985272 /nfs/dbraw/zinc/98/52/72/397985272.db2.gz CNVWDYQGUUYDGE-LURJTMIESA-N -1 3 245.304 0.731 20 0 BCADHM CSCCO[N-]C(=O)CCc1cncn1C ZINC000279939813 398053682 /nfs/dbraw/zinc/05/36/82/398053682.db2.gz IKYGJBJQLZWAEQ-UHFFFAOYSA-N -1 3 243.332 0.764 20 0 BCADHM CC[C@@H](C[N-]S(=O)(=O)c1ccn(C)n1)OC ZINC000645719003 398133439 /nfs/dbraw/zinc/13/34/39/398133439.db2.gz MEYNWLYISAZAIA-QMMMGPOBSA-N -1 3 247.320 0.123 20 0 BCADHM CC(C)NC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000038027553 167052851 /nfs/dbraw/zinc/05/28/51/167052851.db2.gz BSIRYRZAOOAEIY-JTQLQIEISA-N -1 3 242.319 0.840 20 0 BCADHM CC(C)NS(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000334224948 167126659 /nfs/dbraw/zinc/12/66/59/167126659.db2.gz HPBVAZKXVCOTRW-UHFFFAOYSA-N -1 3 228.264 0.617 20 0 BCADHM CC(C)OCC[N-]S(=O)(=O)c1ccco1 ZINC000188825641 167241979 /nfs/dbraw/zinc/24/19/79/167241979.db2.gz BVZYQIJWNHDQHX-UHFFFAOYSA-N -1 3 233.289 0.983 20 0 BCADHM CCCO[N-]C(=O)CN(C)C1CCC1 ZINC000863927613 589327366 /nfs/dbraw/zinc/32/73/66/589327366.db2.gz JWULFNGGYUEVLS-UHFFFAOYSA-N -1 3 200.282 0.929 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CC1(C)C ZINC000662344322 409656342 /nfs/dbraw/zinc/65/63/42/409656342.db2.gz HDFOVNITUSENCM-MRVPVSSYSA-N -1 3 224.308 0.586 20 0 BCADHM CC(C)n1cc([N-]S(=O)(=O)N2CCC2)cn1 ZINC000556792387 322924432 /nfs/dbraw/zinc/92/44/32/322924432.db2.gz GSUCTHINKGYGLX-UHFFFAOYSA-N -1 3 244.320 0.826 20 0 BCADHM CCN(CC(N)=O)Cc1c(F)ccc([O-])c1F ZINC000353157369 169741816 /nfs/dbraw/zinc/74/18/16/169741816.db2.gz VXYJUWFWMDNCCA-UHFFFAOYSA-N -1 3 244.241 0.978 20 0 BCADHM CN(CCCO)C(=O)Cc1cncc([O-])c1 ZINC000655398715 410200049 /nfs/dbraw/zinc/20/00/49/410200049.db2.gz FDSDMKHLMGNRCB-UHFFFAOYSA-N -1 3 224.260 0.171 20 0 BCADHM C[C@H](CF)NC(=O)Cc1cncc([O-])c1 ZINC000655399962 410202309 /nfs/dbraw/zinc/20/23/09/410202309.db2.gz STXYMIIPJWDACE-SSDOTTSWSA-N -1 3 212.224 0.804 20 0 BCADHM CC[C@@H](C)N(CC)Cc1nc(=O)n(C)[n-]1 ZINC000661104469 410232130 /nfs/dbraw/zinc/23/21/30/410232130.db2.gz OCUFIRXPTYGDLD-MRVPVSSYSA-N -1 3 212.297 0.729 20 0 BCADHM CC(C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)C ZINC000340962100 167168448 /nfs/dbraw/zinc/16/84/48/167168448.db2.gz HCQMBHBJUVZFCU-QMMMGPOBSA-N -1 3 237.321 0.512 20 0 BCADHM CC(C)[C@@H](C)CC(=O)Nc1[n-]nnc1C(N)=O ZINC000297599254 167358278 /nfs/dbraw/zinc/35/82/78/167358278.db2.gz ALKJNWLQKMDIAY-LURJTMIESA-N -1 3 239.279 0.524 20 0 BCADHM CC(C)[C@@H](C)CC(=O)Nc1nn[n-]c1C(N)=O ZINC000297599254 167358280 /nfs/dbraw/zinc/35/82/80/167358280.db2.gz ALKJNWLQKMDIAY-LURJTMIESA-N -1 3 239.279 0.524 20 0 BCADHM CC(C)[C@@H](C)CC(=O)Nc1n[n-]nc1C(N)=O ZINC000297599254 167358283 /nfs/dbraw/zinc/35/82/83/167358283.db2.gz ALKJNWLQKMDIAY-LURJTMIESA-N -1 3 239.279 0.524 20 0 BCADHM CC(C)C[C@H](NC(=O)[C@@H](N)C1CCC1)C(=O)[O-] ZINC000399149578 411018790 /nfs/dbraw/zinc/01/87/90/411018790.db2.gz YLFWSSFRQIMDQW-UWVGGRQHSA-N -1 3 242.319 0.729 20 0 BCADHM O=C(Nc1nncs1)c1cc(=O)cc([O-])[nH]1 ZINC000646624681 411130102 /nfs/dbraw/zinc/13/01/02/411130102.db2.gz YDMSXUCXYIOGLA-UHFFFAOYSA-N -1 3 238.228 0.597 20 0 BCADHM O=C(Nc1nncs1)c1cc([O-])cc(=O)[nH]1 ZINC000646624681 411130104 /nfs/dbraw/zinc/13/01/04/411130104.db2.gz YDMSXUCXYIOGLA-UHFFFAOYSA-N -1 3 238.228 0.597 20 0 BCADHM CC[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCCO1 ZINC000653875687 411205568 /nfs/dbraw/zinc/20/55/68/411205568.db2.gz YIFROCNYFJAFEH-IUCAKERBSA-N -1 3 240.307 0.948 20 0 BCADHM Cc1nc(CNC(=O)c2c[n-]nn2)cs1 ZINC000048938856 411220873 /nfs/dbraw/zinc/22/08/73/411220873.db2.gz IDOPWMJNMRLXKI-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM Cc1nc(CNC(=O)c2cnn[n-]2)cs1 ZINC000048938856 411220876 /nfs/dbraw/zinc/22/08/76/411220876.db2.gz IDOPWMJNMRLXKI-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM Cc1nc(CNC(=O)c2cn[n-]n2)cs1 ZINC000048938856 411220878 /nfs/dbraw/zinc/22/08/78/411220878.db2.gz IDOPWMJNMRLXKI-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM Cc1cc(CNC(=O)c2c[n-]nn2)no1 ZINC000049042334 411223409 /nfs/dbraw/zinc/22/34/09/411223409.db2.gz DKBRUDSKNTWGET-UHFFFAOYSA-N -1 3 207.193 0.031 20 0 BCADHM Cc1cc(CNC(=O)c2cnn[n-]2)no1 ZINC000049042334 411223411 /nfs/dbraw/zinc/22/34/11/411223411.db2.gz DKBRUDSKNTWGET-UHFFFAOYSA-N -1 3 207.193 0.031 20 0 BCADHM Cc1cc(CNC(=O)c2cn[n-]n2)no1 ZINC000049042334 411223413 /nfs/dbraw/zinc/22/34/13/411223413.db2.gz DKBRUDSKNTWGET-UHFFFAOYSA-N -1 3 207.193 0.031 20 0 BCADHM C[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000299681463 411302909 /nfs/dbraw/zinc/30/29/09/411302909.db2.gz XPICFTSKFNPACC-UHFFFAOYSA-N -1 3 235.286 0.443 20 0 BCADHM COC(C)(C)CCN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652509689 411260190 /nfs/dbraw/zinc/26/01/90/411260190.db2.gz HPUZMGXJPJSNNU-NXEZZACHSA-N -1 3 245.319 0.975 20 0 BCADHM CC[C@H](NC(=O)c1ccccc1[O-])C(=O)NC ZINC000456986665 411335468 /nfs/dbraw/zinc/33/54/68/411335468.db2.gz BSCSFPXGHUDTIW-VIFPVBQESA-N -1 3 236.271 0.647 20 0 BCADHM CC1(C)[C@H](O)C[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000188864026 168009035 /nfs/dbraw/zinc/00/90/35/168009035.db2.gz HDZVPDVVVNFOKH-HTQZYQBOSA-N -1 3 245.300 0.717 20 0 BCADHM CC1(C)[C@H](O)C[C@H]1Nc1nc2nncc-2c(O)[n-]1 ZINC000275055162 168009052 /nfs/dbraw/zinc/00/90/52/168009052.db2.gz UPEKIQULSJPHJY-RNFRBKRXSA-N -1 3 249.274 0.630 20 0 BCADHM O=C([O-])C12CC(C1)CN2CCOCC(F)F ZINC000656761968 411347450 /nfs/dbraw/zinc/34/74/50/411347450.db2.gz XKECCOTWFCVLGZ-UHFFFAOYSA-N -1 3 235.230 0.817 20 0 BCADHM N[C@@H]1C[C@@H]1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000656854427 411382068 /nfs/dbraw/zinc/38/20/68/411382068.db2.gz CKMBEONDVMNBCJ-VHSXEESVSA-N -1 3 234.255 0.451 20 0 BCADHM O=C([O-])[C@H]1CN(C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662199641 411375845 /nfs/dbraw/zinc/37/58/45/411375845.db2.gz ALFOBFZLOJUIJF-LMLFDSFASA-N -1 3 225.288 0.818 20 0 BCADHM CC(C)N(C1CC1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662205769 411376703 /nfs/dbraw/zinc/37/67/03/411376703.db2.gz ZXPQWOJDMWGVIS-JTQLQIEISA-N -1 3 240.303 0.545 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000331009278 168209298 /nfs/dbraw/zinc/20/92/98/168209298.db2.gz XHIMBDPURJFJHJ-VIFPVBQESA-N -1 3 235.305 0.064 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C1CC1 ZINC000657175331 411415252 /nfs/dbraw/zinc/41/52/52/411415252.db2.gz GUQNRXXPUBETEN-VIFPVBQESA-N -1 3 243.332 0.887 20 0 BCADHM C[C@H]1SCC[C@H]1NC(=O)c1c[n-]nn1 ZINC000307752944 411484101 /nfs/dbraw/zinc/48/41/01/411484101.db2.gz UFJYGXSCXIFGGY-PHDIDXHHSA-N -1 3 212.278 0.429 20 0 BCADHM C[C@H]1SCC[C@H]1NC(=O)c1cnn[n-]1 ZINC000307752944 411484104 /nfs/dbraw/zinc/48/41/04/411484104.db2.gz UFJYGXSCXIFGGY-PHDIDXHHSA-N -1 3 212.278 0.429 20 0 BCADHM C[C@H]1SCC[C@H]1NC(=O)c1cn[n-]n1 ZINC000307752944 411484106 /nfs/dbraw/zinc/48/41/06/411484106.db2.gz UFJYGXSCXIFGGY-PHDIDXHHSA-N -1 3 212.278 0.429 20 0 BCADHM CCN(CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000300670844 411491689 /nfs/dbraw/zinc/49/16/89/411491689.db2.gz XOJZCXODFABTMC-NXEZZACHSA-N -1 3 240.303 0.308 20 0 BCADHM CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000660049425 411531771 /nfs/dbraw/zinc/53/17/71/411531771.db2.gz WGVLESVEZMDKGL-SECBINFHSA-N -1 3 229.305 0.877 20 0 BCADHM CCN1C[C@@H](NC(=O)c2cccc([O-])c2)CC1=O ZINC000336234974 170031932 /nfs/dbraw/zinc/03/19/32/170031932.db2.gz UAZZEPKCXAUEAC-JTQLQIEISA-N -1 3 248.282 0.743 20 0 BCADHM CCNC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000008510278 170064540 /nfs/dbraw/zinc/06/45/40/170064540.db2.gz UVNVZYQMSHNMNK-UHFFFAOYSA-N -1 3 248.329 0.163 20 0 BCADHM CCNC(=O)[C@@H](C)NCc1nc(C)ccc1[O-] ZINC000112716378 170088311 /nfs/dbraw/zinc/08/83/11/170088311.db2.gz MVIRUZXLANXLMQ-SECBINFHSA-N -1 3 237.303 0.710 20 0 BCADHM CCNC(=O)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000041998446 170094186 /nfs/dbraw/zinc/09/41/86/170094186.db2.gz UBPIFIUCMGCZDD-QMMMGPOBSA-N -1 3 236.271 0.647 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)C[C@H](C)CC ZINC000117921168 170226681 /nfs/dbraw/zinc/22/66/81/170226681.db2.gz VZPMNRBNUIHSMH-MRVPVSSYSA-N -1 3 237.321 0.515 20 0 BCADHM CCOCCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267873330 170362950 /nfs/dbraw/zinc/36/29/50/170362950.db2.gz VYVSITQPAAZBID-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM CCOCCN(C)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000354583835 170391717 /nfs/dbraw/zinc/39/17/17/170391717.db2.gz YVHDTAATSQRMHW-UHFFFAOYSA-N -1 3 236.279 0.190 20 0 BCADHM Cn1[n-]c([C@@H]2CCCN2Cc2cc[nH]n2)nc1=N ZINC000660468586 411589724 /nfs/dbraw/zinc/58/97/24/411589724.db2.gz GAKZFQREVCENRH-VIFPVBQESA-N -1 3 247.306 0.288 20 0 BCADHM CCOCc1nnc([N-]Cc2cncn2C)o1 ZINC000347883196 411710867 /nfs/dbraw/zinc/71/08/67/411710867.db2.gz CGXLGVHVTJHVRW-UHFFFAOYSA-N -1 3 237.263 0.952 20 0 BCADHM CN(CCCCF)Cc1n[n-]c(=O)o1 ZINC000660842765 411653071 /nfs/dbraw/zinc/65/30/71/411653071.db2.gz QYZPBRWYHRUSDG-UHFFFAOYSA-N -1 3 203.217 0.957 20 0 BCADHM O=C([N-]c1nncs1)c1ccc2nc[nH]c2n1 ZINC000355867330 411662912 /nfs/dbraw/zinc/66/29/12/411662912.db2.gz VEKJMMZGMPQKST-UHFFFAOYSA-N -1 3 246.255 1.062 20 0 BCADHM O=c1[nH][n-]cc1CCCNc1ncc(F)cn1 ZINC000631361904 411675299 /nfs/dbraw/zinc/67/52/99/411675299.db2.gz NRDXLCIGVBZLSS-ZETCQYMHSA-N -1 3 237.238 0.540 20 0 BCADHM Cc1ccc(C(=O)[N-]c2nn3cnnc3s2)o1 ZINC000641924889 411676090 /nfs/dbraw/zinc/67/60/90/411676090.db2.gz NREWLPGVZDHBEZ-UHFFFAOYSA-N -1 3 249.255 1.340 20 0 BCADHM COc1cc(C(=O)[N-]c2cccnn2)on1 ZINC000346755229 411681512 /nfs/dbraw/zinc/68/15/12/411681512.db2.gz QYNRXUQRXKDCCX-UHFFFAOYSA-N -1 3 220.188 0.726 20 0 BCADHM Cc1ccc(NCCCc2c[n-][nH]c2=O)nn1 ZINC000631359918 411691971 /nfs/dbraw/zinc/69/19/71/411691971.db2.gz AGGMDMRHOCIBIH-VIFPVBQESA-N -1 3 233.275 0.709 20 0 BCADHM Cc1ccc(Sc2nnc(CO)[n-]2)nn1 ZINC000663836760 411757362 /nfs/dbraw/zinc/75/73/62/411757362.db2.gz NXEHGKSFKLCSFN-UHFFFAOYSA-N -1 3 223.261 0.547 20 0 BCADHM Cc1ccc(Sc2n[n-]c(CO)n2)nn1 ZINC000663836760 411757365 /nfs/dbraw/zinc/75/73/65/411757365.db2.gz NXEHGKSFKLCSFN-UHFFFAOYSA-N -1 3 223.261 0.547 20 0 BCADHM Cc1nc([N-]C(=O)c2ccncc2F)nn1C ZINC000344584735 411772442 /nfs/dbraw/zinc/77/24/42/411772442.db2.gz OFGFDOGDPGEXBH-UHFFFAOYSA-N -1 3 235.222 0.910 20 0 BCADHM Cc1nnc([N-]C(=O)c2nccc(C)n2)s1 ZINC000348024511 411796978 /nfs/dbraw/zinc/79/69/78/411796978.db2.gz ZXNOJINBCZUHMQ-UHFFFAOYSA-N -1 3 235.272 1.197 20 0 BCADHM Cn1nncc1COc1ccc2c([O-])coc2c1 ZINC000664136705 411867845 /nfs/dbraw/zinc/86/78/45/411867845.db2.gz VECPZTOQMZPCPR-UHFFFAOYSA-N -1 3 245.238 0.969 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000661720880 411859365 /nfs/dbraw/zinc/85/93/65/411859365.db2.gz FFXBTDAROPXYPN-TVQRCGJNSA-N -1 3 249.314 0.701 20 0 BCADHM C[C@@H]1CCC[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000336942554 411905000 /nfs/dbraw/zinc/90/50/00/411905000.db2.gz IZXXVWYQFQAECZ-HTRCEHHLSA-N -1 3 232.291 0.909 20 0 BCADHM C[C@@H]1CC[C@H](N=c2nc3[nH][n-]cc-3c(N)n2)C1 ZINC000443991468 411906858 /nfs/dbraw/zinc/90/68/58/411906858.db2.gz UVBWGSRMKGVOIV-RQJHMYQMSA-N -1 3 232.291 0.909 20 0 BCADHM Nc1nc(=NCCc2ccco2)nc2[nH][n-]cc1-2 ZINC000354510515 411925072 /nfs/dbraw/zinc/92/50/72/411925072.db2.gz PJDNQOUOLJYZQK-UHFFFAOYSA-N -1 3 244.258 0.556 20 0 BCADHM CCO[C@H]1C[C@@H](N=c2nc3[nH][n-]cc-3c(N)n2)C1 ZINC000569328712 411868390 /nfs/dbraw/zinc/86/83/90/411868390.db2.gz XLBNFXKTDLLJLU-LJGSYFOKSA-N -1 3 248.290 0.288 20 0 BCADHM CC(C)[C@@H](C)N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000336690062 411874990 /nfs/dbraw/zinc/87/49/90/411874990.db2.gz WGDHMVJRXNMUPW-ZCFIWIBFSA-N -1 3 220.280 0.765 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@@H]1CC12CCC2 ZINC000662132362 411997390 /nfs/dbraw/zinc/99/73/90/411997390.db2.gz RCRQMPISCNJGNO-LURJTMIESA-N -1 3 249.274 0.293 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@@H]1CC12CCC2 ZINC000662132362 411997393 /nfs/dbraw/zinc/99/73/93/411997393.db2.gz RCRQMPISCNJGNO-LURJTMIESA-N -1 3 249.274 0.293 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@@H]1CC12CCC2 ZINC000662132362 411997396 /nfs/dbraw/zinc/99/73/96/411997396.db2.gz RCRQMPISCNJGNO-LURJTMIESA-N -1 3 249.274 0.293 20 0 BCADHM Nc1cc(N)nc(SCc2ncccc2[O-])n1 ZINC000569429434 411946918 /nfs/dbraw/zinc/94/69/18/411946918.db2.gz QMTAELFQFKJMRT-UHFFFAOYSA-N -1 3 249.299 1.034 20 0 BCADHM C[C@H](O)[C@H]1CCCN1c1nc2nncc-2c(O)[n-]1 ZINC000664440389 411960025 /nfs/dbraw/zinc/96/00/25/411960025.db2.gz VIXBMHBUZQCSRD-POYBYMJQSA-N -1 3 249.274 0.408 20 0 BCADHM CCN(CC(C)C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662203885 412024224 /nfs/dbraw/zinc/02/42/24/412024224.db2.gz RZINSFTYQGOVCT-SNVBAGLBSA-N -1 3 242.319 0.650 20 0 BCADHM CN(C1CCCC1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662201114 412024367 /nfs/dbraw/zinc/02/43/67/412024367.db2.gz PATGSVCTAYVGQP-JTQLQIEISA-N -1 3 240.303 0.546 20 0 BCADHM C[C@H]1CN([C@@H]2CCN(CC(=O)[O-])C2=O)C[C@H]1C ZINC000662202339 412024729 /nfs/dbraw/zinc/02/47/29/412024729.db2.gz AGYYMOBKVBCYOZ-KXUCPTDWSA-N -1 3 240.303 0.260 20 0 BCADHM CCN(C1CCC1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662203509 412024758 /nfs/dbraw/zinc/02/47/58/412024758.db2.gz FDAFZHWTXUYMDB-SNVBAGLBSA-N -1 3 240.303 0.546 20 0 BCADHM CC(C)CCN(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662201626 412025088 /nfs/dbraw/zinc/02/50/88/412025088.db2.gz JNGGDHRJNPDVSY-JTQLQIEISA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@H]1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662207484 412026216 /nfs/dbraw/zinc/02/62/16/412026216.db2.gz YGKFUHAJNNFLJH-VHSXEESVSA-N -1 3 240.303 0.404 20 0 BCADHM CC[C@@]1(CO)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000332737977 171212369 /nfs/dbraw/zinc/21/23/69/171212369.db2.gz XIQMYHUZIOTGBN-JTQLQIEISA-N -1 3 226.280 0.247 20 0 BCADHM CC[C@H](C(N)=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000061678093 171244264 /nfs/dbraw/zinc/24/42/64/171244264.db2.gz QTRRSALLWGTSEF-JGVFFNPUSA-N -1 3 214.265 0.047 20 0 BCADHM CC[C@H](C)C(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000265430506 171256453 /nfs/dbraw/zinc/25/64/53/171256453.db2.gz IIQOTLRYYGUGAY-LURJTMIESA-N -1 3 240.263 0.505 20 0 BCADHM CC[C@H](C)C(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000265430506 171256454 /nfs/dbraw/zinc/25/64/54/171256454.db2.gz IIQOTLRYYGUGAY-LURJTMIESA-N -1 3 240.263 0.505 20 0 BCADHM CC[C@H](C)C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000265430506 171256456 /nfs/dbraw/zinc/25/64/56/171256456.db2.gz IIQOTLRYYGUGAY-LURJTMIESA-N -1 3 240.263 0.505 20 0 BCADHM CC[C@H](C)CC(=O)Nc1[n-]nnc1C(=O)NC ZINC000297638748 171262879 /nfs/dbraw/zinc/26/28/79/171262879.db2.gz DCFDEFZWBJALKL-LURJTMIESA-N -1 3 239.279 0.539 20 0 BCADHM CC[C@H](C)CC(=O)Nc1nn[n-]c1C(=O)NC ZINC000297638748 171262880 /nfs/dbraw/zinc/26/28/80/171262880.db2.gz DCFDEFZWBJALKL-LURJTMIESA-N -1 3 239.279 0.539 20 0 BCADHM CC[C@H](C)CC(=O)Nc1n[n-]nc1C(=O)NC ZINC000297638748 171262882 /nfs/dbraw/zinc/26/28/82/171262882.db2.gz DCFDEFZWBJALKL-LURJTMIESA-N -1 3 239.279 0.539 20 0 BCADHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000188712804 171378659 /nfs/dbraw/zinc/37/86/59/171378659.db2.gz ROGRXVFKBONXBM-IUCAKERBSA-N -1 3 247.316 0.965 20 0 BCADHM CN1CCCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000665160882 412115537 /nfs/dbraw/zinc/11/55/37/412115537.db2.gz MSYFQSIPRJELCN-UHFFFAOYSA-N -1 3 249.314 0.494 20 0 BCADHM CC(=O)c1ccc(C(=O)Nc2cc[nH]n2)cc1[O-] ZINC000436617264 412187235 /nfs/dbraw/zinc/18/72/35/412187235.db2.gz NCABMAXMEURVMF-UHFFFAOYSA-N -1 3 245.238 1.570 20 0 BCADHM CC[C@H](O)CNC(=O)c1cc(OC)ccc1[O-] ZINC000126025853 171573874 /nfs/dbraw/zinc/57/38/74/171573874.db2.gz CNKROVZVZQJPGP-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM CC(C)(C)c1nc([N-][C@H]2CCCNC2=O)no1 ZINC000580037354 412239024 /nfs/dbraw/zinc/23/90/24/412239024.db2.gz JQSGMQBCYONHPO-ZETCQYMHSA-N -1 3 238.291 1.058 20 0 BCADHM C[C@H]([N-]c1nnc(C2CC2)o1)c1ncn(C)n1 ZINC000342987994 412249339 /nfs/dbraw/zinc/24/93/39/412249339.db2.gz IGZMIWXRJOAVHG-LURJTMIESA-N -1 3 234.263 1.249 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1ncc(F)cn1 ZINC000532619362 412333693 /nfs/dbraw/zinc/33/36/93/412333693.db2.gz CSCOYEOACQVWMW-QMMMGPOBSA-N -1 3 237.238 0.540 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1nc(C)cc(C)n1 ZINC000555949365 412334455 /nfs/dbraw/zinc/33/44/55/412334455.db2.gz GNXFREPHXPKTJF-JTQLQIEISA-N -1 3 247.302 1.017 20 0 BCADHM O=C(Nc1cc2ccccn2n1)c1cnn[n-]1 ZINC000552994243 412355569 /nfs/dbraw/zinc/35/55/69/412355569.db2.gz LOEUUNPVUSHXBU-UHFFFAOYSA-N -1 3 228.215 0.705 20 0 BCADHM O=C(Nc1cc2ccccn2n1)c1c[n-]nn1 ZINC000552994243 412355571 /nfs/dbraw/zinc/35/55/71/412355571.db2.gz LOEUUNPVUSHXBU-UHFFFAOYSA-N -1 3 228.215 0.705 20 0 BCADHM O=C(Nc1cc2ccccn2n1)c1cn[n-]n1 ZINC000552994243 412355572 /nfs/dbraw/zinc/35/55/72/412355572.db2.gz LOEUUNPVUSHXBU-UHFFFAOYSA-N -1 3 228.215 0.705 20 0 BCADHM COCC[C@H](CO)[N-]c1nnc(C(F)F)o1 ZINC000336667985 412374844 /nfs/dbraw/zinc/37/48/44/412374844.db2.gz GDEVEYYSFORDEV-RXMQYKEDSA-N -1 3 237.206 0.817 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2CCSC2)[n-]c(=O)n1 ZINC000268850995 487623355 /nfs/dbraw/zinc/62/33/55/487623355.db2.gz NQLJXCLURLPBBV-SSDOTTSWSA-N -1 3 239.300 0.726 20 0 BCADHM Cc1cc(C(=O)N[C@H]2CCSC2)[n-]c(=O)n1 ZINC000268850997 487623811 /nfs/dbraw/zinc/62/38/11/487623811.db2.gz NQLJXCLURLPBBV-ZETCQYMHSA-N -1 3 239.300 0.726 20 0 BCADHM CCc1noc(-c2cc(=O)[n-]c(N(C)C)n2)n1 ZINC000339087510 172071537 /nfs/dbraw/zinc/07/15/37/172071537.db2.gz GVPLSULAROYFCM-UHFFFAOYSA-N -1 3 235.247 0.861 20 0 BCADHM CCn1cc(CN[C@@](C)(COC)C(=O)[O-])cn1 ZINC000336892712 172174628 /nfs/dbraw/zinc/17/46/28/172174628.db2.gz SJWPUJZJHPUWCU-NSHDSACASA-N -1 3 241.291 0.482 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H](OC)C1CC1 ZINC000285656993 172239789 /nfs/dbraw/zinc/23/97/89/172239789.db2.gz FDHXUAQGXRCCIW-MRVPVSSYSA-N -1 3 224.264 0.662 20 0 BCADHM CCn1nc(C)c(C(=O)Nc2ncccc2[O-])n1 ZINC000293595485 172245429 /nfs/dbraw/zinc/24/54/29/172245429.db2.gz XLGFOEVXLQQWFB-UHFFFAOYSA-N -1 3 247.258 0.959 20 0 BCADHM CN(C)C(=O)CNC(=O)c1ccccc1[O-] ZINC000003642075 172368458 /nfs/dbraw/zinc/36/84/58/172368458.db2.gz HEGMSFIETIBFLS-UHFFFAOYSA-N -1 3 222.244 0.210 20 0 BCADHM CN(C)C(=O)CNCc1c(F)ccc([O-])c1F ZINC000293647747 172370475 /nfs/dbraw/zinc/37/04/75/172370475.db2.gz OOAZGOGWNSDNKB-UHFFFAOYSA-N -1 3 244.241 0.848 20 0 BCADHM CN(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104137363 172391105 /nfs/dbraw/zinc/39/11/05/172391105.db2.gz MZLKVXVSTOAERQ-UHFFFAOYSA-N -1 3 218.212 0.272 20 0 BCADHM CN1CCC[C@H](NC(=O)c2ccccc2[O-])C1=O ZINC000336302866 173046813 /nfs/dbraw/zinc/04/68/13/173046813.db2.gz RUZPOUPPQKLXLN-JTQLQIEISA-N -1 3 248.282 0.743 20 0 BCADHM CN(C(=O)c1ccccc1[O-])[C@H]1CCN(C)C1=O ZINC000336625368 173148337 /nfs/dbraw/zinc/14/83/37/173148337.db2.gz SOURAYHLADXMSB-JTQLQIEISA-N -1 3 248.282 0.695 20 0 BCADHM CN(C(=O)c1cccc([O-])c1)[C@H]1CCN(C)C1=O ZINC000272712511 173148895 /nfs/dbraw/zinc/14/88/95/173148895.db2.gz FGKBAEPHPFGCIK-NSHDSACASA-N -1 3 248.282 0.695 20 0 BCADHM CN1CN(C(=O)c2cccc([O-])c2)CC1=O ZINC000336438441 173178560 /nfs/dbraw/zinc/17/85/60/173178560.db2.gz GFOPVMADYJZPRU-UHFFFAOYSA-N -1 3 220.228 0.264 20 0 BCADHM CN1CN(Cc2c(F)ccc([O-])c2F)CC1=O ZINC000336438047 173179812 /nfs/dbraw/zinc/17/98/12/173179812.db2.gz SHITWDXOUBSICF-UHFFFAOYSA-N -1 3 242.225 0.902 20 0 BCADHM CN1C[C@@H](NC(=O)c2cccc([O-])c2)CCC1=O ZINC000082282543 173184226 /nfs/dbraw/zinc/18/42/26/173184226.db2.gz IMDJIIFPWCFNIK-JTQLQIEISA-N -1 3 248.282 0.743 20 0 BCADHM CNC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000048689261 173265044 /nfs/dbraw/zinc/26/50/44/173265044.db2.gz QHDJYEFHINPSSN-UHFFFAOYSA-N -1 3 247.254 0.238 20 0 BCADHM CNC(=O)CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000037250598 173265339 /nfs/dbraw/zinc/26/53/39/173265339.db2.gz PJQVDBHIDDTUNU-UHFFFAOYSA-N -1 3 236.271 0.519 20 0 BCADHM CNC(=O)CNCc1cccc([O-])c1Cl ZINC000293952351 173277664 /nfs/dbraw/zinc/27/76/64/173277664.db2.gz BUMWEUZSRAIVNV-UHFFFAOYSA-N -1 3 228.679 0.881 20 0 BCADHM CNC(=O)CSc1ncc(C(=O)OC)[n-]1 ZINC000361996423 173280362 /nfs/dbraw/zinc/28/03/62/173280362.db2.gz OWLDFLGFJJDHAO-UHFFFAOYSA-N -1 3 229.261 0.034 20 0 BCADHM CNC(=O)NCC(=O)Nc1ccccc1[O-] ZINC000341030848 173290213 /nfs/dbraw/zinc/29/02/13/173290213.db2.gz RSUJIVXFOBLAGB-UHFFFAOYSA-N -1 3 223.232 0.260 20 0 BCADHM CNC(=O)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000042573645 173302730 /nfs/dbraw/zinc/30/27/30/173302730.db2.gz CIKPSVKKSDFEDF-ZETCQYMHSA-N -1 3 222.244 0.257 20 0 BCADHM COC(=O)COCC(=O)[N-]c1onc(C)c1C ZINC000354197303 173613757 /nfs/dbraw/zinc/61/37/57/173613757.db2.gz ZDSKOQRONZLXKM-UHFFFAOYSA-N -1 3 242.231 0.420 20 0 BCADHM COC(=O)[C@H]([N-]S(=O)(=O)CC1CC1)C1CC1 ZINC000358849366 173805289 /nfs/dbraw/zinc/80/52/89/173805289.db2.gz CFCCUNBQTHSEFL-SECBINFHSA-N -1 3 247.316 0.267 20 0 BCADHM COCCCC(=O)NCc1ncccc1[O-] ZINC000352506341 174165890 /nfs/dbraw/zinc/16/58/90/174165890.db2.gz FWEGSUFDJIZHLT-UHFFFAOYSA-N -1 3 224.260 0.830 20 0 BCADHM COCCCNc1nc2nncc-2c(O)[n-]1 ZINC000309904647 174251812 /nfs/dbraw/zinc/25/18/12/174251812.db2.gz JQAQHOPLAMPYNW-UHFFFAOYSA-N -1 3 223.236 0.507 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC000376380233 174255913 /nfs/dbraw/zinc/25/59/13/174255913.db2.gz FVUYKEZVCCUBSC-MWLCHTKSSA-N -1 3 229.276 0.497 20 0 BCADHM COCCCO[N-]C(=O)c1ccncc1F ZINC000288013588 174255979 /nfs/dbraw/zinc/25/59/79/174255979.db2.gz GYHHTWUORYEIGX-UHFFFAOYSA-N -1 3 228.223 0.919 20 0 BCADHM COCCCON=C([O-])Nc1cnn(C)c1 ZINC000287582706 174256469 /nfs/dbraw/zinc/25/64/69/174256469.db2.gz HLWKWVZIDJYXFP-UHFFFAOYSA-N -1 3 228.252 0.510 20 0 BCADHM COCCCO[N-]C(=O)Nc1cnn(C)c1 ZINC000287582706 174256472 /nfs/dbraw/zinc/25/64/72/174256472.db2.gz HLWKWVZIDJYXFP-UHFFFAOYSA-N -1 3 228.252 0.510 20 0 BCADHM COCCCS(=O)(=O)[N-]Cc1ccno1 ZINC000330718811 174258219 /nfs/dbraw/zinc/25/82/19/174258219.db2.gz DNKFAIMZXSFLNE-UHFFFAOYSA-N -1 3 234.277 0.131 20 0 BCADHM COCCCn1cc(Cl)c(=O)[n-]c1=O ZINC000085633033 174266209 /nfs/dbraw/zinc/26/62/09/174266209.db2.gz NZLQGAREHXVUTE-UHFFFAOYSA-N -1 3 218.640 0.227 20 0 BCADHM COCC[N-]S(=O)(=O)c1cnc(C)s1 ZINC000226417692 174337390 /nfs/dbraw/zinc/33/73/90/174337390.db2.gz UTOGPSQFGOIHIC-UHFFFAOYSA-N -1 3 236.318 0.376 20 0 BCADHM COCCOCCNC(=O)c1cccc([O-])c1 ZINC000044728033 174357374 /nfs/dbraw/zinc/35/73/74/174357374.db2.gz QCTASESQXCRMTM-UHFFFAOYSA-N -1 3 239.271 0.785 20 0 BCADHM COCCS(=O)(=O)[N-]c1ccc(C)[nH]c1=O ZINC000331102415 174373145 /nfs/dbraw/zinc/37/31/45/174373145.db2.gz PHZBOMHLHBQQIN-UHFFFAOYSA-N -1 3 246.288 0.484 20 0 BCADHM COCCSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000356769858 174378291 /nfs/dbraw/zinc/37/82/91/174378291.db2.gz AURHBCPHVDBNNC-UHFFFAOYSA-N -1 3 240.288 0.807 20 0 BCADHM COCC[C@@H](C)S(=O)(=O)[N-]CC(F)F ZINC000361978402 174387156 /nfs/dbraw/zinc/38/71/56/174387156.db2.gz JCCPRWJOEXWWPG-ZCFIWIBFSA-N -1 3 231.264 0.596 20 0 BCADHM COc1ccc(C(=O)N(C)[C@H](C)CO)c([O-])c1 ZINC000093244858 175055181 /nfs/dbraw/zinc/05/51/81/175055181.db2.gz CPLSCGALUYNTBN-MRVPVSSYSA-N -1 3 239.271 0.854 20 0 BCADHM COc1ccc(C(=O)N2CC[C@@H](O)C2)c([O-])c1 ZINC000061704535 175057068 /nfs/dbraw/zinc/05/70/68/175057068.db2.gz SUDFXEUZCWKNCJ-MRVPVSSYSA-N -1 3 237.255 0.608 20 0 BCADHM COc1ccc(C(=O)NC[C@H](C)O)c([O-])c1 ZINC000035108108 175060343 /nfs/dbraw/zinc/06/03/43/175060343.db2.gz PCGIBYUDJDIPIY-ZETCQYMHSA-N -1 3 225.244 0.511 20 0 BCADHM COc1ccc(C(=O)N[C@@H](C)C(N)=O)c([O-])c1 ZINC000035149299 175062055 /nfs/dbraw/zinc/06/20/55/175062055.db2.gz OCEMADYIALAXTF-LURJTMIESA-N -1 3 238.243 0.004 20 0 BCADHM COc1ccc(C(=O)N[C@H](C)C(N)=O)c([O-])c1 ZINC000035149300 175063030 /nfs/dbraw/zinc/06/30/30/175063030.db2.gz OCEMADYIALAXTF-ZCFIWIBFSA-N -1 3 238.243 0.004 20 0 BCADHM COc1ccc([O-])c(C(=O)N[C@@H](C)CO)c1 ZINC000035205505 175157408 /nfs/dbraw/zinc/15/74/08/175157408.db2.gz MUBHWFZCYOJTGZ-ZETCQYMHSA-N -1 3 225.244 0.511 20 0 BCADHM COc1ccc([O-])c(C(=O)NC2(CO)CC2)c1 ZINC000162949234 175157606 /nfs/dbraw/zinc/15/76/06/175157606.db2.gz IDDRDZWQYQENBK-UHFFFAOYSA-N -1 3 237.255 0.656 20 0 BCADHM COc1cccc(C(=O)N(C)CCCO)c1[O-] ZINC000281924224 175242092 /nfs/dbraw/zinc/24/20/92/175242092.db2.gz LAZGJOKMXWFCLV-UHFFFAOYSA-N -1 3 239.271 0.855 20 0 BCADHM COc1cccc(C(=O)NCC[C@H](C)O)c1[O-] ZINC000085984582 175245675 /nfs/dbraw/zinc/24/56/75/175245675.db2.gz DZWYMXRBLRPQIT-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM COc1cccc(C(=O)N[C@@H](C)CCO)c1[O-] ZINC000123517214 175245800 /nfs/dbraw/zinc/24/58/00/175245800.db2.gz FIVDHBCGHVDRHK-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM COc1ccnc(NC(=O)c2nc[n-]n2)c1 ZINC000342249851 175363873 /nfs/dbraw/zinc/36/38/73/175363873.db2.gz LCDTUMXSISSSND-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1nc(NC(=O)[C@H]2C[C@@]23CCOC3)n[n-]1 ZINC000364090835 175388543 /nfs/dbraw/zinc/38/85/43/175388543.db2.gz ACMFUKRGJIZQGZ-LHLIQPBNSA-N -1 3 238.247 0.178 20 0 BCADHM COc1nnc(NC(=O)[C@H]2C[C@@]23CCOC3)[n-]1 ZINC000364090835 175388544 /nfs/dbraw/zinc/38/85/44/175388544.db2.gz ACMFUKRGJIZQGZ-LHLIQPBNSA-N -1 3 238.247 0.178 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2C[C@@]23CCOC3)n1 ZINC000364090835 175388545 /nfs/dbraw/zinc/38/85/45/175388545.db2.gz ACMFUKRGJIZQGZ-LHLIQPBNSA-N -1 3 238.247 0.178 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CC2(F)F)[n-]1 ZINC000295025152 175393326 /nfs/dbraw/zinc/39/33/26/175393326.db2.gz VGHXCTQOWGTZRT-VKHMYHEASA-N -1 3 218.163 0.407 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CC2(F)F)n[n-]1 ZINC000295025152 175393327 /nfs/dbraw/zinc/39/33/27/175393327.db2.gz VGHXCTQOWGTZRT-VKHMYHEASA-N -1 3 218.163 0.407 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CC2(F)F)n1 ZINC000295025152 175393328 /nfs/dbraw/zinc/39/33/28/175393328.db2.gz VGHXCTQOWGTZRT-VKHMYHEASA-N -1 3 218.163 0.407 20 0 BCADHM COc1nc(NC(=O)C[C@H]2CCCCO2)n[n-]1 ZINC000129391584 175393515 /nfs/dbraw/zinc/39/35/15/175393515.db2.gz WXWSOFAWSIDFLM-SSDOTTSWSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nnc(NC(=O)C[C@H]2CCCCO2)[n-]1 ZINC000129391584 175393513 /nfs/dbraw/zinc/39/35/13/175393513.db2.gz WXWSOFAWSIDFLM-SSDOTTSWSA-N -1 3 240.263 0.711 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@H]2CCCCO2)n1 ZINC000129391584 175393517 /nfs/dbraw/zinc/39/35/17/175393517.db2.gz WXWSOFAWSIDFLM-SSDOTTSWSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nnc(NC(=O)C=C2CCC2)[n-]1 ZINC000182995942 175393886 /nfs/dbraw/zinc/39/38/86/175393886.db2.gz OWQFNLJQGWKYLB-UHFFFAOYSA-N -1 3 208.221 0.862 20 0 BCADHM COc1nc(NC(=O)C=C2CCC2)n[n-]1 ZINC000182995942 175393888 /nfs/dbraw/zinc/39/38/88/175393888.db2.gz OWQFNLJQGWKYLB-UHFFFAOYSA-N -1 3 208.221 0.862 20 0 BCADHM COc1n[n-]c(NC(=O)C=C2CCC2)n1 ZINC000182995942 175393889 /nfs/dbraw/zinc/39/38/89/175393889.db2.gz OWQFNLJQGWKYLB-UHFFFAOYSA-N -1 3 208.221 0.862 20 0 BCADHM COc1nnc(NC(=O)C[C@@H]2CCCO2)[n-]1 ZINC000129562103 175394561 /nfs/dbraw/zinc/39/45/61/175394561.db2.gz QDWUFVPQJJUVRI-LURJTMIESA-N -1 3 226.236 0.321 20 0 BCADHM COc1nc(NC(=O)C[C@@H]2CCCO2)n[n-]1 ZINC000129562103 175394563 /nfs/dbraw/zinc/39/45/63/175394563.db2.gz QDWUFVPQJJUVRI-LURJTMIESA-N -1 3 226.236 0.321 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@@H]2CCCO2)n1 ZINC000129562103 175394565 /nfs/dbraw/zinc/39/45/65/175394565.db2.gz QDWUFVPQJJUVRI-LURJTMIESA-N -1 3 226.236 0.321 20 0 BCADHM COc1nnc(NC(=O)[C@H](C)SC)[n-]1 ZINC000179377333 175395089 /nfs/dbraw/zinc/39/50/89/175395089.db2.gz REUPEXCDWVMONT-BYPYZUCNSA-N -1 3 216.266 0.503 20 0 BCADHM COc1nc(NC(=O)[C@H](C)SC)n[n-]1 ZINC000179377333 175395091 /nfs/dbraw/zinc/39/50/91/175395091.db2.gz REUPEXCDWVMONT-BYPYZUCNSA-N -1 3 216.266 0.503 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](C)SC)n1 ZINC000179377333 175395093 /nfs/dbraw/zinc/39/50/93/175395093.db2.gz REUPEXCDWVMONT-BYPYZUCNSA-N -1 3 216.266 0.503 20 0 BCADHM COc1nnc(NC(=O)[C@@H](C)c2cccnc2)[n-]1 ZINC000182991514 175395098 /nfs/dbraw/zinc/39/50/98/175395098.db2.gz GCYQLSCGOSFWDK-ZETCQYMHSA-N -1 3 247.258 0.951 20 0 BCADHM COc1nc(NC(=O)[C@@H](C)c2cccnc2)n[n-]1 ZINC000182991514 175395099 /nfs/dbraw/zinc/39/50/99/175395099.db2.gz GCYQLSCGOSFWDK-ZETCQYMHSA-N -1 3 247.258 0.951 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](C)c2cccnc2)n1 ZINC000182991514 175395101 /nfs/dbraw/zinc/39/51/01/175395101.db2.gz GCYQLSCGOSFWDK-ZETCQYMHSA-N -1 3 247.258 0.951 20 0 BCADHM COc1nnc(NC(=O)c2cncc(C)c2)[n-]1 ZINC000129375343 175396256 /nfs/dbraw/zinc/39/62/56/175396256.db2.gz PKMPKYOLVZLWLT-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nc(NC(=O)c2cncc(C)c2)n[n-]1 ZINC000129375343 175396258 /nfs/dbraw/zinc/39/62/58/175396258.db2.gz PKMPKYOLVZLWLT-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1n[n-]c(NC(=O)c2cncc(C)c2)n1 ZINC000129375343 175396259 /nfs/dbraw/zinc/39/62/59/175396259.db2.gz PKMPKYOLVZLWLT-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM CS(=O)(=O)[N-][C@@H]1COc2cccc(F)c21 ZINC000371732230 175431573 /nfs/dbraw/zinc/43/15/73/175431573.db2.gz HIBKPYMPMUEXAK-SSDOTTSWSA-N -1 3 231.248 0.808 20 0 BCADHM C[C@@H]([N-]S(C)(=O)=O)c1nc(CC2CC2)no1 ZINC000340185474 175910367 /nfs/dbraw/zinc/91/03/67/175910367.db2.gz MQXZEECTMKIXLP-ZCFIWIBFSA-N -1 3 245.304 0.632 20 0 BCADHM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC000336447099 176177062 /nfs/dbraw/zinc/17/70/62/176177062.db2.gz OXHVOUVSWLZBGQ-HTQZYQBOSA-N -1 3 210.281 0.339 20 0 BCADHM C[C@@H]1CCN(S(=O)(=O)[N-]c2cncnc2)C1 ZINC000362225770 176179363 /nfs/dbraw/zinc/17/93/63/176179363.db2.gz VPHNIMUTTSRFLF-MRVPVSSYSA-N -1 3 242.304 0.475 20 0 BCADHM C[C@@H]1CC[C@H](C(=O)NCc2ncccc2[O-])O1 ZINC000331024273 176221217 /nfs/dbraw/zinc/22/12/17/176221217.db2.gz SISNEXHNMSTABN-LDYMZIIASA-N -1 3 236.271 0.971 20 0 BCADHM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)[C@H]1C ZINC000332602758 176311387 /nfs/dbraw/zinc/31/13/87/176311387.db2.gz BCZHAAPAZFSDNQ-CSMHCCOUSA-N -1 3 210.281 0.987 20 0 BCADHM C[C@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)C[C@H]1C ZINC000354561019 176320926 /nfs/dbraw/zinc/32/09/26/176320926.db2.gz FMJLRIBJPUHTNA-KNVOCYPGSA-N -1 3 232.291 0.809 20 0 BCADHM C[C@@H]1COCC[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000328639156 176341327 /nfs/dbraw/zinc/34/13/27/176341327.db2.gz DORMAJVVPXWOJO-RQJHMYQMSA-N -1 3 212.253 0.025 20 0 BCADHM C[C@@H]1C[C@@H](N(C)C(=O)C(=O)[O-])CCN1C ZINC000336748668 176371336 /nfs/dbraw/zinc/37/13/36/176371336.db2.gz DMAKOPALXFPAEQ-SFYZADRCSA-N -1 3 214.265 0.012 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1C(=O)c1cccc([O-])c1 ZINC000335835402 176381415 /nfs/dbraw/zinc/38/14/15/176381415.db2.gz IHBOGCVDHRETIF-LDYMZIIASA-N -1 3 221.256 0.988 20 0 BCADHM C[C@@](O)(CO)C[N-]c1nnc(C(F)F)o1 ZINC000308905439 176520378 /nfs/dbraw/zinc/52/03/78/176520378.db2.gz DGUMBDJABGUSFZ-ZETCQYMHSA-N -1 3 223.179 0.162 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1[C@H]1C=CCCC1 ZINC000295417290 177057851 /nfs/dbraw/zinc/05/78/51/177057851.db2.gz TXBQEQZSPGFFOF-IUCAKERBSA-N -1 3 244.316 0.502 20 0 BCADHM C[C@H]1C(=O)NCCN1C(=O)c1csc(=O)[n-]1 ZINC000329954069 177060354 /nfs/dbraw/zinc/06/03/54/177060354.db2.gz ODVHQBQDJROULI-YFKPBYRVSA-N -1 3 241.272 0.650 20 0 BCADHM C[C@H]1CC([N-]C(=O)c2cnns2)=NO1 ZINC000270737123 177065620 /nfs/dbraw/zinc/06/56/20/177065620.db2.gz GURWSAHYKTTWIS-BYPYZUCNSA-N -1 3 212.234 0.390 20 0 BCADHM C[C@H]1CC/C(=C\C(=O)[N-]OCC(N)=O)C1 ZINC000271370717 177066787 /nfs/dbraw/zinc/06/67/87/177066787.db2.gz HTACXSKGDUEVMP-QAZRXNLGSA-N -1 3 212.249 0.266 20 0 BCADHM C[C@H]1CCC(=CC(=O)Nc2[n-]nnc2C(N)=O)C1 ZINC000297722635 177067733 /nfs/dbraw/zinc/06/77/33/177067733.db2.gz JSJVPPUBBCBKDB-YXXZKMSWSA-N -1 3 249.274 0.589 20 0 BCADHM C[C@H]1CC/C(=C\C(=O)Nc2nn[n-]c2C(N)=O)C1 ZINC000297722635 177067735 /nfs/dbraw/zinc/06/77/35/177067735.db2.gz JSJVPPUBBCBKDB-YXXZKMSWSA-N -1 3 249.274 0.589 20 0 BCADHM C[C@H]1CCC(=CC(=O)Nc2n[n-]nc2C(N)=O)C1 ZINC000297722635 177067737 /nfs/dbraw/zinc/06/77/37/177067737.db2.gz JSJVPPUBBCBKDB-YXXZKMSWSA-N -1 3 249.274 0.589 20 0 BCADHM C[C@H](CNC(=O)C(=O)[O-])N1CCCC[C@@H]1C ZINC000336722352 177078503 /nfs/dbraw/zinc/07/85/03/177078503.db2.gz ASEPCBUYSGXVJQ-DTWKUNHWSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)[O-] ZINC000336756524 177117865 /nfs/dbraw/zinc/11/78/65/177117865.db2.gz YOLRASABNRKOJQ-DTORHVGOSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@@H]1[C@@H](C)CCN1c1nc2[nH][n-]cc-2c(=N)n1 ZINC000354573863 177172064 /nfs/dbraw/zinc/17/20/64/177172064.db2.gz JJXCJVOQYLLHDS-NKWVEPMBSA-N -1 3 232.291 0.952 20 0 BCADHM C[C@H]1CN(CCC(=O)[O-])CC(C)(C)O1 ZINC000045696741 177246600 /nfs/dbraw/zinc/24/66/00/177246600.db2.gz VDGZZEAJQNOJSW-QMMMGPOBSA-N -1 3 201.266 0.960 20 0 BCADHM C[C@H]1CN(C(=O)c2ccccc2[O-])CC(=O)N1 ZINC000295952012 177228452 /nfs/dbraw/zinc/22/84/52/177228452.db2.gz IUHPIFGTTBEZQJ-QMMMGPOBSA-N -1 3 234.255 0.353 20 0 BCADHM C[C@@H]1CO[C@@H](C)CN1CCCC(=O)[O-] ZINC000035787835 177247431 /nfs/dbraw/zinc/24/74/31/177247431.db2.gz YJCMAWOIYIJNNG-BDAKNGLRSA-N -1 3 201.266 0.960 20 0 BCADHM C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C(C)(C)C1 ZINC000336447081 177270805 /nfs/dbraw/zinc/27/08/05/177270805.db2.gz KRYWSKFZGAJNOV-MRVPVSSYSA-N -1 3 224.308 0.729 20 0 BCADHM C[C@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)C[C@@H]1C ZINC000354561018 177278595 /nfs/dbraw/zinc/27/85/95/177278595.db2.gz FMJLRIBJPUHTNA-BQBZGAKWSA-N -1 3 232.291 0.809 20 0 BCADHM C[C@H]1COCC[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000328639153 177294901 /nfs/dbraw/zinc/29/49/01/177294901.db2.gz DORMAJVVPXWOJO-BQBZGAKWSA-N -1 3 212.253 0.025 20 0 BCADHM C[C@H]1COCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000328639154 177297155 /nfs/dbraw/zinc/29/71/55/177297155.db2.gz DORMAJVVPXWOJO-NKWVEPMBSA-N -1 3 212.253 0.025 20 0 BCADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000125099407 177345726 /nfs/dbraw/zinc/34/57/26/177345726.db2.gz IYZKVCBTXQWTGF-NKWVEPMBSA-N -1 3 215.278 0.344 20 0 BCADHM C[C@H]1C[C@H](C)CN(CC(=O)NCC(=O)[O-])C1 ZINC000033433886 177357681 /nfs/dbraw/zinc/35/76/81/177357681.db2.gz FMEPAPSNGJHRFD-IUCAKERBSA-N -1 3 228.292 0.165 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C(=O)O1 ZINC000288593505 177368318 /nfs/dbraw/zinc/36/83/18/177368318.db2.gz MBMUOMAKTDGLED-CBAPKCEASA-N -1 3 235.239 0.826 20 0 BCADHM C[C@@H]1Cc2c(ncn2Cc2nc(=O)[n-][nH]2)C[C@@H]1C ZINC000295185817 177391697 /nfs/dbraw/zinc/39/16/97/177391697.db2.gz QJJXWYHWZJPODA-JGVFFNPUSA-N -1 3 247.302 0.714 20 0 BCADHM COc1nc(NC(=O)CCc2ncccn2)n[n-]1 ZINC000486951527 225274622 /nfs/dbraw/zinc/27/46/22/225274622.db2.gz RSWTUHJPFOBJSC-UHFFFAOYSA-N -1 3 248.246 0.175 20 0 BCADHM COc1nnc(NC(=O)CCc2ncccn2)[n-]1 ZINC000486951527 225274624 /nfs/dbraw/zinc/27/46/24/225274624.db2.gz RSWTUHJPFOBJSC-UHFFFAOYSA-N -1 3 248.246 0.175 20 0 BCADHM COc1n[n-]c(NC(=O)CCc2ncccn2)n1 ZINC000486951527 225274627 /nfs/dbraw/zinc/27/46/27/225274627.db2.gz RSWTUHJPFOBJSC-UHFFFAOYSA-N -1 3 248.246 0.175 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)Nn1cnnc1 ZINC000492516825 226011029 /nfs/dbraw/zinc/01/10/29/226011029.db2.gz CNLZHCAYBQGMTA-UPHRSURJSA-N -1 3 231.215 0.162 20 0 BCADHM COc1nnc(NC(=O)C=CC2CC2)[n-]1 ZINC000492522067 226012154 /nfs/dbraw/zinc/01/21/54/226012154.db2.gz RWYNQMWIBHWBEV-SNAWJCMRSA-N -1 3 208.221 0.718 20 0 BCADHM COc1nc(NC(=O)C=CC2CC2)n[n-]1 ZINC000492522067 226012157 /nfs/dbraw/zinc/01/21/57/226012157.db2.gz RWYNQMWIBHWBEV-SNAWJCMRSA-N -1 3 208.221 0.718 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C/C2CC2)n1 ZINC000492522067 226012161 /nfs/dbraw/zinc/01/21/61/226012161.db2.gz RWYNQMWIBHWBEV-SNAWJCMRSA-N -1 3 208.221 0.718 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCCO1 ZINC000492736521 226043947 /nfs/dbraw/zinc/04/39/47/226043947.db2.gz NRUKRERRRXIMKY-IHWYPQMZSA-N -1 3 220.228 0.964 20 0 BCADHM CCn1nccc1/C=C\C(=O)[N-]OCCOC ZINC000492807265 226057320 /nfs/dbraw/zinc/05/73/20/226057320.db2.gz AZEOXPDZOPLWOB-PLNGDYQASA-N -1 3 239.275 0.610 20 0 BCADHM COc1nnc(NC(=O)C=Cc2c[nH]cn2)[n-]1 ZINC000492807152 226057364 /nfs/dbraw/zinc/05/73/64/226057364.db2.gz AVBKEJDFHXWAIS-NSCUHMNNSA-N -1 3 234.219 0.188 20 0 BCADHM COc1nc(NC(=O)C=Cc2c[nH]cn2)n[n-]1 ZINC000492807152 226057368 /nfs/dbraw/zinc/05/73/68/226057368.db2.gz AVBKEJDFHXWAIS-NSCUHMNNSA-N -1 3 234.219 0.188 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2c[nH]cn2)n1 ZINC000492807152 226057372 /nfs/dbraw/zinc/05/73/72/226057372.db2.gz AVBKEJDFHXWAIS-NSCUHMNNSA-N -1 3 234.219 0.188 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]OCC(F)F ZINC000492891404 226076071 /nfs/dbraw/zinc/07/60/71/226076071.db2.gz CWHIKUDEUOAFRS-OWOJBTEDSA-N -1 3 217.175 0.736 20 0 BCADHM O=C(/C=C\c1ccncn1)[N-]O[C@H]1CCOC1 ZINC000492973690 226094896 /nfs/dbraw/zinc/09/48/96/226094896.db2.gz OPFGMICLYKJZQD-SYBPUXJVSA-N -1 3 235.243 0.327 20 0 BCADHM C[C@]1(O)CCN(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000492995153 226099947 /nfs/dbraw/zinc/09/99/47/226099947.db2.gz KQGMLNMCKWGPFU-ZRMMWKCHSA-N -1 3 248.282 0.784 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NC1(CO)CC1 ZINC000493127916 226134733 /nfs/dbraw/zinc/13/47/33/226134733.db2.gz SJOWMWUOEVIZTE-UPHRSURJSA-N -1 3 234.255 0.442 20 0 BCADHM Cn1ccc(/C=C/C(=O)[N-]OCCO)c1 ZINC000493273517 226172958 /nfs/dbraw/zinc/17/29/58/226172958.db2.gz QJORKKCVQNPXPZ-NSCUHMNNSA-N -1 3 210.233 0.078 20 0 BCADHM CO[N-]C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000496223618 226299518 /nfs/dbraw/zinc/29/95/18/226299518.db2.gz GEBXWXKWGHXATL-RQJHMYQMSA-N -1 3 230.264 0.577 20 0 BCADHM CC(C)CN1CCOC[C@H]1CC(=O)[O-] ZINC000087507386 487666030 /nfs/dbraw/zinc/66/60/30/487666030.db2.gz PINSVYUAXIUBNF-SECBINFHSA-N -1 3 201.266 0.818 20 0 BCADHM C[C@@H](O)CCN(C)C(=O)Cc1cncc([O-])c1 ZINC000557651898 322940707 /nfs/dbraw/zinc/94/07/07/322940707.db2.gz NBYGDSXKYZXQOZ-SECBINFHSA-N -1 3 238.287 0.559 20 0 BCADHM CCNC(=O)CNC(=O)c1ccccc1[O-] ZINC000035149878 262839533 /nfs/dbraw/zinc/83/95/33/262839533.db2.gz OXNQNPQLOZCKOZ-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](N)C(C)(C)C ZINC000044624899 487701729 /nfs/dbraw/zinc/70/17/29/487701729.db2.gz XRXGRPKZHSNUFL-JGVFFNPUSA-N -1 3 230.308 0.681 20 0 BCADHM Cc1c[nH]nc1C(=O)[N-]c1nc(C)no1 ZINC000669597110 487722346 /nfs/dbraw/zinc/72/23/46/487722346.db2.gz HQYUSPPHQKBEDM-UHFFFAOYSA-N -1 3 207.193 0.662 20 0 BCADHM CC[C@H](NC(=O)[C@H]1NCCCC1(C)C)C(=O)[O-] ZINC000234047689 487759819 /nfs/dbraw/zinc/75/98/19/487759819.db2.gz AUIZDEIGRPKEOK-DTWKUNHWSA-N -1 3 242.319 0.744 20 0 BCADHM O=C([N-]OCC(F)F)[C@H]1C[C@@]12CCOC2 ZINC000764378039 585464242 /nfs/dbraw/zinc/46/42/42/585464242.db2.gz HOZBSYUINRWRAA-HZGVNTEJSA-N -1 3 221.203 0.726 20 0 BCADHM C[C@@H]1C(=O)CC[C@H]1CC(=O)[N-]OCCO ZINC000793855767 586028013 /nfs/dbraw/zinc/02/80/13/586028013.db2.gz OPUBTWCYXICALU-YUMQZZPRSA-N -1 3 215.249 0.032 20 0 BCADHM CCCN(C)CC(=O)[N-]OC1CCC1 ZINC000812791343 586585348 /nfs/dbraw/zinc/58/53/48/586585348.db2.gz SMDSVBBIQSFZCD-UHFFFAOYSA-N -1 3 200.282 0.929 20 0 BCADHM CCOCCN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827399223 587379636 /nfs/dbraw/zinc/37/96/36/587379636.db2.gz BLBBPKSTPBCQED-SECBINFHSA-N -1 3 216.281 0.707 20 0 BCADHM O=C([O-])NCCN(CCCCO)C1CC1 ZINC000832636395 587671665 /nfs/dbraw/zinc/67/16/65/587671665.db2.gz RJJBQNPQHJLXDQ-UHFFFAOYSA-N -1 3 216.281 0.491 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C1(C)CCC1 ZINC000836805431 587838027 /nfs/dbraw/zinc/83/80/27/587838027.db2.gz ZZQMHVNLVNOFSO-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)/C=C/c1ncc[nH]1 ZINC000493620766 528483822 /nfs/dbraw/zinc/48/38/22/528483822.db2.gz XQSRWQXZSLPGHH-CDAZIORVSA-N -1 3 239.275 0.488 20 0 BCADHM O=c1[n-]c(CN2CC[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000681709941 487842621 /nfs/dbraw/zinc/84/26/21/487842621.db2.gz MXGDNLJVYGXECH-YUMQZZPRSA-N -1 3 208.265 0.885 20 0 BCADHM O=c1[n-]c(CN2CC[C@@H]3CCC[C@H]32)n[nH]1 ZINC000681709939 487846833 /nfs/dbraw/zinc/84/68/33/487846833.db2.gz MXGDNLJVYGXECH-JGVFFNPUSA-N -1 3 208.265 0.885 20 0 BCADHM COC[C@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000625754634 487847062 /nfs/dbraw/zinc/84/70/62/487847062.db2.gz KDTRDFCZLCGUCG-QMMMGPOBSA-N -1 3 237.259 0.291 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cnco1 ZINC000681734376 487849461 /nfs/dbraw/zinc/84/94/61/487849461.db2.gz XWTURVALUGWEPW-UHFFFAOYSA-N -1 3 236.187 0.437 20 0 BCADHM O=S(=O)([N-]Cc1cocn1)c1ccco1 ZINC000682081055 487904065 /nfs/dbraw/zinc/90/40/65/487904065.db2.gz HCXITNSBBDLRGR-UHFFFAOYSA-N -1 3 228.229 0.746 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@@H]1CCNC1=O ZINC000666920891 487904353 /nfs/dbraw/zinc/90/43/53/487904353.db2.gz HCUCNEIWQYCHHZ-SSDOTTSWSA-N -1 3 220.228 0.467 20 0 BCADHM CCN(CC)CC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655566707 487912765 /nfs/dbraw/zinc/91/27/65/487912765.db2.gz SAAMHEQPSAWEQI-JTQLQIEISA-N -1 3 244.335 0.801 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)C[C@@H]1O ZINC000682167387 487922328 /nfs/dbraw/zinc/92/23/28/487922328.db2.gz OOJKUURHOCBUTE-XCBNKYQSSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)C[C@@H]1O ZINC000682167387 487922333 /nfs/dbraw/zinc/92/23/33/487922333.db2.gz OOJKUURHOCBUTE-XCBNKYQSSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)C[C@@H]1O ZINC000682167387 487922336 /nfs/dbraw/zinc/92/23/36/487922336.db2.gz OOJKUURHOCBUTE-XCBNKYQSSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@@H]1CCN(c2nc3nncc-3c(O)[n-]2)[C@H]1CO ZINC000682396391 487947044 /nfs/dbraw/zinc/94/70/44/487947044.db2.gz UPCRWQHLYMKZGV-SVRRBLITSA-N -1 3 249.274 0.266 20 0 BCADHM CO[C@@H](CN1C[C@H](OC)C[C@@H]1C(=O)[O-])C1CC1 ZINC000652476816 487953444 /nfs/dbraw/zinc/95/34/44/487953444.db2.gz GUJFRXMJYJAVQQ-MXWKQRLJSA-N -1 3 243.303 0.585 20 0 BCADHM CO[C@@H](CN1C[C@H](OC)C[C@H]1C(=O)[O-])C1CC1 ZINC000652476818 487953515 /nfs/dbraw/zinc/95/35/15/487953515.db2.gz GUJFRXMJYJAVQQ-VWYCJHECSA-N -1 3 243.303 0.585 20 0 BCADHM COCCNC(=O)c1cc(OC)ccc1[O-] ZINC000051770489 322851952 /nfs/dbraw/zinc/85/19/52/322851952.db2.gz YPDYMYYAXXKQRS-UHFFFAOYSA-N -1 3 225.244 0.777 20 0 BCADHM C[C@@H](CO)[C@@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000561286672 322998777 /nfs/dbraw/zinc/99/87/77/322998777.db2.gz LTXHWJOLNKRBBM-DTWKUNHWSA-N -1 3 238.287 0.463 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCCO1 ZINC000561316252 322999418 /nfs/dbraw/zinc/99/94/18/322999418.db2.gz PCKNGPZKGQIBHB-UHFFFAOYSA-N -1 3 208.217 0.494 20 0 BCADHM CCN1CCCC[C@H]1CNC(=O)CCC(=O)[O-] ZINC000572720788 323036371 /nfs/dbraw/zinc/03/63/71/323036371.db2.gz ACAWOSPPVSLFIL-JTQLQIEISA-N -1 3 242.319 0.842 20 0 BCADHM CCC[C@H](C)[C@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000569699911 323037560 /nfs/dbraw/zinc/03/75/60/323037560.db2.gz SUWHZGRZKFAFPB-WPRPVWTQSA-N -1 3 249.318 0.935 20 0 BCADHM CN(CC(C)(C)O)C(=O)Cc1cncc([O-])c1 ZINC000570067651 323049155 /nfs/dbraw/zinc/04/91/55/323049155.db2.gz XGGRBHOKXZHKKL-UHFFFAOYSA-N -1 3 238.287 0.559 20 0 BCADHM C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ncccc1[O-] ZINC000570556508 323062808 /nfs/dbraw/zinc/06/28/08/323062808.db2.gz MTPUEZNRXUSSDD-IUCAKERBSA-N -1 3 235.287 0.544 20 0 BCADHM C[C@@H]1NC(=O)CC[C@@H]1NCc1ncccc1[O-] ZINC000570556508 323062809 /nfs/dbraw/zinc/06/28/09/323062809.db2.gz MTPUEZNRXUSSDD-IUCAKERBSA-N -1 3 235.287 0.544 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccn(C)c1 ZINC000531656663 323111170 /nfs/dbraw/zinc/11/11/70/323111170.db2.gz CFKYFCKOKSFXPA-JTQLQIEISA-N -1 3 248.286 0.267 20 0 BCADHM CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000571208578 323138498 /nfs/dbraw/zinc/13/84/98/323138498.db2.gz SPIISQMRHHOTQD-VHSXEESVSA-N -1 3 242.319 0.839 20 0 BCADHM CCc1coc(NC(=O)c2nc[n-]n2)n1 ZINC000571581827 323148638 /nfs/dbraw/zinc/14/86/38/323148638.db2.gz SCUHNVJNHKKMTI-UHFFFAOYSA-N -1 3 207.193 0.607 20 0 BCADHM O=C(NC1(CO)CC1)c1cccc2nn[n-]c21 ZINC000571622710 323149601 /nfs/dbraw/zinc/14/96/01/323149601.db2.gz CQMLJHORJCHCEO-UHFFFAOYSA-N -1 3 232.243 0.213 20 0 BCADHM O=C(NC1(CO)CC1)c1cccc2[n-]nnc21 ZINC000571622710 323149602 /nfs/dbraw/zinc/14/96/02/323149602.db2.gz CQMLJHORJCHCEO-UHFFFAOYSA-N -1 3 232.243 0.213 20 0 BCADHM O=C(NC1(CO)CC1)c1cccc2n[n-]nc21 ZINC000571622710 323149603 /nfs/dbraw/zinc/14/96/03/323149603.db2.gz CQMLJHORJCHCEO-UHFFFAOYSA-N -1 3 232.243 0.213 20 0 BCADHM CCN(C(=O)c1cccc2[n-]nnc21)C1COC1 ZINC000571632784 323150044 /nfs/dbraw/zinc/15/00/44/323150044.db2.gz CPGXUQFEMSKZOX-UHFFFAOYSA-N -1 3 246.270 0.819 20 0 BCADHM CCN(C(=O)c1cccc2nn[n-]c21)C1COC1 ZINC000571632784 323150045 /nfs/dbraw/zinc/15/00/45/323150045.db2.gz CPGXUQFEMSKZOX-UHFFFAOYSA-N -1 3 246.270 0.819 20 0 BCADHM CCN(C(=O)c1cccc2n[n-]nc21)C1COC1 ZINC000571632784 323150046 /nfs/dbraw/zinc/15/00/46/323150046.db2.gz CPGXUQFEMSKZOX-UHFFFAOYSA-N -1 3 246.270 0.819 20 0 BCADHM O=C(NCCc1ccsc1)c1c[n-]nn1 ZINC000048891565 323155743 /nfs/dbraw/zinc/15/57/43/323155743.db2.gz YVYVGBMADFIXGI-UHFFFAOYSA-N -1 3 222.273 0.839 20 0 BCADHM O=C(NCCc1ccsc1)c1cnn[n-]1 ZINC000048891565 323155744 /nfs/dbraw/zinc/15/57/44/323155744.db2.gz YVYVGBMADFIXGI-UHFFFAOYSA-N -1 3 222.273 0.839 20 0 BCADHM O=C(NCCc1ccsc1)c1cn[n-]n1 ZINC000048891565 323155745 /nfs/dbraw/zinc/15/57/45/323155745.db2.gz YVYVGBMADFIXGI-UHFFFAOYSA-N -1 3 222.273 0.839 20 0 BCADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cnn[n-]1 ZINC000048890854 323155782 /nfs/dbraw/zinc/15/57/82/323155782.db2.gz MGZGRMIRDLPUFC-UHFFFAOYSA-N -1 3 245.198 0.492 20 0 BCADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1c[n-]nn1 ZINC000048890854 323155783 /nfs/dbraw/zinc/15/57/83/323155783.db2.gz MGZGRMIRDLPUFC-UHFFFAOYSA-N -1 3 245.198 0.492 20 0 BCADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cn[n-]n1 ZINC000048890854 323155784 /nfs/dbraw/zinc/15/57/84/323155784.db2.gz MGZGRMIRDLPUFC-UHFFFAOYSA-N -1 3 245.198 0.492 20 0 BCADHM CCC[C@H](C(=O)[O-])N1C[C@H](COC)O[C@@H](C)C1 ZINC000563816203 323179053 /nfs/dbraw/zinc/17/90/53/323179053.db2.gz APJRCBDZZLVBLG-HBNTYKKESA-N -1 3 245.319 0.975 20 0 BCADHM Cc1noc(CNC(=O)Cc2cncc([O-])c2)n1 ZINC000563829984 323179947 /nfs/dbraw/zinc/17/99/47/323179947.db2.gz QZHWDTSAWCHFOU-UHFFFAOYSA-N -1 3 248.242 0.338 20 0 BCADHM Cc1ccc([O-])c(CNC[C@H]2COCCN2)n1 ZINC000530182703 323205717 /nfs/dbraw/zinc/20/57/17/323205717.db2.gz XYONXDMLBNELPD-JTQLQIEISA-N -1 3 237.303 0.174 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1=CCCC1 ZINC000532122866 323206216 /nfs/dbraw/zinc/20/62/16/323206216.db2.gz GZROPMGPAAUGDJ-SNVBAGLBSA-N -1 3 235.287 0.725 20 0 BCADHM CC[C@@H](CO)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000520734175 323223323 /nfs/dbraw/zinc/22/33/23/323223323.db2.gz HPRIVLNTSQCTGD-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM CC[C@@H](CO)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000520734175 323223324 /nfs/dbraw/zinc/22/33/24/323223324.db2.gz HPRIVLNTSQCTGD-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM CC[C@@H](CO)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000520734175 323223325 /nfs/dbraw/zinc/22/33/25/323223325.db2.gz HPRIVLNTSQCTGD-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM CN(CCO)C(=O)c1cccc2[n-]nnc21 ZINC000526113392 323227964 /nfs/dbraw/zinc/22/79/64/323227964.db2.gz KRBNHQRUSODTFB-UHFFFAOYSA-N -1 3 220.232 0.022 20 0 BCADHM CN(CCO)C(=O)c1cccc2nn[n-]c21 ZINC000526113392 323227967 /nfs/dbraw/zinc/22/79/67/323227967.db2.gz KRBNHQRUSODTFB-UHFFFAOYSA-N -1 3 220.232 0.022 20 0 BCADHM CN(CCO)C(=O)c1cccc2n[n-]nc21 ZINC000526113392 323227970 /nfs/dbraw/zinc/22/79/70/323227970.db2.gz KRBNHQRUSODTFB-UHFFFAOYSA-N -1 3 220.232 0.022 20 0 BCADHM COC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000526119770 323231420 /nfs/dbraw/zinc/23/14/20/323231420.db2.gz SLXQCEIVZGKEOR-SSDOTTSWSA-N -1 3 234.259 0.723 20 0 BCADHM COC[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000526119770 323231414 /nfs/dbraw/zinc/23/14/14/323231414.db2.gz SLXQCEIVZGKEOR-SSDOTTSWSA-N -1 3 234.259 0.723 20 0 BCADHM COC[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000526119770 323231416 /nfs/dbraw/zinc/23/14/16/323231416.db2.gz SLXQCEIVZGKEOR-SSDOTTSWSA-N -1 3 234.259 0.723 20 0 BCADHM O=C(NCCN1CCC1)c1cncc([O-])c1 ZINC000532790604 323298177 /nfs/dbraw/zinc/29/81/77/323298177.db2.gz ACAVLYBATQITDT-UHFFFAOYSA-N -1 3 221.260 0.223 20 0 BCADHM C[C@]1(Br)C[C@@H]1C(=O)[N-]OCCO ZINC000529062658 324241115 /nfs/dbraw/zinc/24/11/15/324241115.db2.gz HYYRUCNCMARFCP-VDTYLAMSSA-N -1 3 238.081 0.200 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1CCCC12CC2 ZINC000529401778 324287388 /nfs/dbraw/zinc/28/73/88/324287388.db2.gz FWUGVHRCQQHZSI-ZETCQYMHSA-N -1 3 246.274 0.971 20 0 BCADHM CNC(=O)Cc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000540904456 324927238 /nfs/dbraw/zinc/92/72/38/324927238.db2.gz QAYSFVHKTMDJGS-UHFFFAOYSA-N -1 3 233.227 0.330 20 0 BCADHM CCCCS(=O)(=O)[N-]C1(C(=O)OC)CC1 ZINC000131653565 325173674 /nfs/dbraw/zinc/17/36/74/325173674.db2.gz KNLIEERSCUSAFO-UHFFFAOYSA-N -1 3 235.305 0.412 20 0 BCADHM C[C@H]([N-]S(C)(=O)=O)c1nc([C@H]2C[C@@H]2C)no1 ZINC000546474623 325282097 /nfs/dbraw/zinc/28/20/97/325282097.db2.gz BWOZBFOFSGXTLW-ACZMJKKPSA-N -1 3 245.304 0.803 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@@H]1CCNC(=O)C1 ZINC000136094596 325441101 /nfs/dbraw/zinc/44/11/01/325441101.db2.gz LJANYJZDUOIPKA-MRVPVSSYSA-N -1 3 234.255 0.857 20 0 BCADHM O=S(=O)([N-]CCN1CCC1)c1ccccn1 ZINC000555950653 325774378 /nfs/dbraw/zinc/77/43/78/325774378.db2.gz VHNCALVZMFNIHW-UHFFFAOYSA-N -1 3 241.316 0.066 20 0 BCADHM CO[C@@H](C)CC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000566161281 326004724 /nfs/dbraw/zinc/00/47/24/326004724.db2.gz KVOQKGPCOFCDSY-QMMMGPOBSA-N -1 3 247.320 0.123 20 0 BCADHM CO[C@@H]1COC[C@H]1NC(=O)c1ccccc1[O-] ZINC000567503241 326206746 /nfs/dbraw/zinc/20/67/46/326206746.db2.gz DHEMXYMISIGCHJ-MWLCHTKSSA-N -1 3 237.255 0.536 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000567585067 326223179 /nfs/dbraw/zinc/22/31/79/326223179.db2.gz MIKYVCOBXOCZJN-SNVBAGLBSA-N -1 3 249.332 0.310 20 0 BCADHM COCCS(=O)(=O)[N-]Cc1ncccc1F ZINC000156696952 326240036 /nfs/dbraw/zinc/24/00/36/326240036.db2.gz YRUDTYIVLYXVGN-UHFFFAOYSA-N -1 3 248.279 0.287 20 0 BCADHM CO[C@@H]1C[C@H](C(=O)[O-])N(C[C@H](O)C(C)C)C1 ZINC000568068695 326303649 /nfs/dbraw/zinc/30/36/49/326303649.db2.gz PUNDKRMTOCVQDF-BBBLOLIVSA-N -1 3 231.292 0.177 20 0 BCADHM CC1(C)C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)CO1 ZINC000396570340 487984265 /nfs/dbraw/zinc/98/42/65/487984265.db2.gz DREYSCGUHWMFSE-ZETCQYMHSA-N -1 3 245.304 0.256 20 0 BCADHM O=C(NCC1(c2ccccn2)CC1)c1c[n-]nn1 ZINC000682689518 488017953 /nfs/dbraw/zinc/01/79/53/488017953.db2.gz DFIWXQXRKOQTJL-UHFFFAOYSA-N -1 3 243.270 0.661 20 0 BCADHM O=C(NCC1(c2ccccn2)CC1)c1cnn[n-]1 ZINC000682689518 488017955 /nfs/dbraw/zinc/01/79/55/488017955.db2.gz DFIWXQXRKOQTJL-UHFFFAOYSA-N -1 3 243.270 0.661 20 0 BCADHM O=C(NCC1(c2ccccn2)CC1)c1cn[n-]n1 ZINC000682689518 488017957 /nfs/dbraw/zinc/01/79/57/488017957.db2.gz DFIWXQXRKOQTJL-UHFFFAOYSA-N -1 3 243.270 0.661 20 0 BCADHM CCC(C)(C)N1CCN(CC(=O)[O-])CC1 ZINC000655929250 488022194 /nfs/dbraw/zinc/02/21/94/488022194.db2.gz YUHQWBYATMUIDU-UHFFFAOYSA-N -1 3 214.309 0.877 20 0 BCADHM COC[C@@H](OC)C(=O)Nc1nnc(SC)[n-]1 ZINC000667618954 488060362 /nfs/dbraw/zinc/06/03/62/488060362.db2.gz OIPHVAOFIVDADP-RXMQYKEDSA-N -1 3 246.292 0.127 20 0 BCADHM COC[C@@H](OC)C(=O)Nc1nc(SC)n[n-]1 ZINC000667618954 488060364 /nfs/dbraw/zinc/06/03/64/488060364.db2.gz OIPHVAOFIVDADP-RXMQYKEDSA-N -1 3 246.292 0.127 20 0 BCADHM COC[C@@H](OC)C(=O)Nc1n[n-]c(SC)n1 ZINC000667618954 488060369 /nfs/dbraw/zinc/06/03/69/488060369.db2.gz OIPHVAOFIVDADP-RXMQYKEDSA-N -1 3 246.292 0.127 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[n-]1 ZINC000667618876 488060423 /nfs/dbraw/zinc/06/04/23/488060423.db2.gz LHSXBLRCGNSKGM-FMCRUOTFSA-N -1 3 240.288 0.358 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC000667618876 488060426 /nfs/dbraw/zinc/06/04/26/488060426.db2.gz LHSXBLRCGNSKGM-FMCRUOTFSA-N -1 3 240.288 0.358 20 0 BCADHM CSc1nc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)n[n-]1 ZINC000667618876 488060430 /nfs/dbraw/zinc/06/04/30/488060430.db2.gz LHSXBLRCGNSKGM-FMCRUOTFSA-N -1 3 240.288 0.358 20 0 BCADHM COC[C@H](OC)C(=O)Nc1nnc(SC)[n-]1 ZINC000667618955 488060799 /nfs/dbraw/zinc/06/07/99/488060799.db2.gz OIPHVAOFIVDADP-YFKPBYRVSA-N -1 3 246.292 0.127 20 0 BCADHM COC[C@H](OC)C(=O)Nc1nc(SC)n[n-]1 ZINC000667618955 488060803 /nfs/dbraw/zinc/06/08/03/488060803.db2.gz OIPHVAOFIVDADP-YFKPBYRVSA-N -1 3 246.292 0.127 20 0 BCADHM COC[C@H](OC)C(=O)Nc1n[n-]c(SC)n1 ZINC000667618955 488060805 /nfs/dbraw/zinc/06/08/05/488060805.db2.gz OIPHVAOFIVDADP-YFKPBYRVSA-N -1 3 246.292 0.127 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1ccccn1)C(C)(C)O ZINC000677513125 488061216 /nfs/dbraw/zinc/06/12/16/488061216.db2.gz UWMNWQMZXISWIL-QMMMGPOBSA-N -1 3 244.316 0.519 20 0 BCADHM CCN(C)S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000672429983 488133626 /nfs/dbraw/zinc/13/36/26/488133626.db2.gz YBEUXWNRGRPDFY-SSDOTTSWSA-N -1 3 242.291 0.960 20 0 BCADHM Cc1ccc([O-])c(CN2CCc3nn[nH]c3C2)n1 ZINC000668791645 487546218 /nfs/dbraw/zinc/54/62/18/487546218.db2.gz TXVRFJNIWYJGFM-UHFFFAOYSA-N -1 3 245.286 0.772 20 0 BCADHM Cc1ccc([O-])c(CN2CCc3n[nH]nc3C2)n1 ZINC000668791645 487546220 /nfs/dbraw/zinc/54/62/20/487546220.db2.gz TXVRFJNIWYJGFM-UHFFFAOYSA-N -1 3 245.286 0.772 20 0 BCADHM O=C(NC1COC1)c1ccc2n[n-]nc2c1 ZINC000094711276 487556329 /nfs/dbraw/zinc/55/63/29/487556329.db2.gz DAATUSABCSODEA-UHFFFAOYSA-N -1 3 218.216 0.087 20 0 BCADHM COc1cccc(C(=O)NC2COC2)c1[O-] ZINC000094711255 487556349 /nfs/dbraw/zinc/55/63/49/487556349.db2.gz MGCDBLJZUSKSPD-UHFFFAOYSA-N -1 3 223.228 0.529 20 0 BCADHM CCC[C@H](C)NC(=O)C(=O)[N-]c1cnns1 ZINC000683235353 488136809 /nfs/dbraw/zinc/13/68/09/488136809.db2.gz IOSUEVSEGBZUDH-LURJTMIESA-N -1 3 242.304 0.781 20 0 BCADHM CCCN(C)CC(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000653343128 487473446 /nfs/dbraw/zinc/47/34/46/487473446.db2.gz OCWMGUOFNOSZBI-SECBINFHSA-N -1 3 230.308 0.650 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)CN(CC)CC ZINC000653343176 487474166 /nfs/dbraw/zinc/47/41/66/487474166.db2.gz PPSUYQJJOKAFPF-SECBINFHSA-N -1 3 230.308 0.650 20 0 BCADHM C[C@H]1CCNC(=O)[C@@H]1NCc1ncccc1[O-] ZINC000685431165 487522108 /nfs/dbraw/zinc/52/21/08/487522108.db2.gz QDHSWRSVIZFLQO-GZMMTYOYSA-N -1 3 235.287 0.401 20 0 BCADHM Nc1ccc(CN=c2ncnc3[nH][n-]cc2-3)cn1 ZINC000357846667 487966238 /nfs/dbraw/zinc/96/62/38/487966238.db2.gz TVDRXFXKUHGUBF-UHFFFAOYSA-N -1 3 241.258 0.316 20 0 BCADHM OCc1nnc([N-]Cc2cnc3ccccn23)o1 ZINC000671159176 487981872 /nfs/dbraw/zinc/98/18/72/487981872.db2.gz GWXXUTBOCYBMNP-UHFFFAOYSA-N -1 3 245.242 0.822 20 0 BCADHM CO[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2 ZINC000308424603 488203335 /nfs/dbraw/zinc/20/33/35/488203335.db2.gz QZEUNHIOTZGSCB-JGVFFNPUSA-N -1 3 238.291 0.145 20 0 BCADHM O=C([O-])[C@@H]1CN(CCC2CCC2)CCO1 ZINC000398789941 488223436 /nfs/dbraw/zinc/22/34/36/488223436.db2.gz PFUUSRHHFMSVDD-JTQLQIEISA-N -1 3 213.277 0.962 20 0 BCADHM CC[C@@]1(N=c2ncnc3[nH][n-]cc2-3)CCOC1 ZINC000672276170 488249994 /nfs/dbraw/zinc/24/99/94/488249994.db2.gz ZKRPSMOWQMPABW-LLVKDONJSA-N -1 3 233.275 0.707 20 0 BCADHM O=S(=O)([N-][C@@H]1CCCC1(F)F)N1CCC1 ZINC000672429181 488254433 /nfs/dbraw/zinc/25/44/33/488254433.db2.gz KRILIAODEQXXFD-SSDOTTSWSA-N -1 3 240.275 0.714 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CC23CCC3)n[n-]1 ZINC000679320165 488335139 /nfs/dbraw/zinc/33/51/39/488335139.db2.gz MZITWNSCKRGTKZ-LURJTMIESA-N -1 3 222.248 0.942 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CC23CCC3)[n-]1 ZINC000679320165 488335141 /nfs/dbraw/zinc/33/51/41/488335141.db2.gz MZITWNSCKRGTKZ-LURJTMIESA-N -1 3 222.248 0.942 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CC23CCC3)n1 ZINC000679320165 488335144 /nfs/dbraw/zinc/33/51/44/488335144.db2.gz MZITWNSCKRGTKZ-LURJTMIESA-N -1 3 222.248 0.942 20 0 BCADHM O=C(NCc1cocn1)NCc1ncccc1[O-] ZINC000684261917 488283352 /nfs/dbraw/zinc/28/33/52/488283352.db2.gz NKNLXIRBGIECRW-UHFFFAOYSA-N -1 3 248.242 0.775 20 0 BCADHM C[C@H](NC(=O)c1csc(=O)[n-]1)C(C)(C)O ZINC000684286805 488286721 /nfs/dbraw/zinc/28/67/21/488286721.db2.gz LOPFYBVKGOIZFM-YFKPBYRVSA-N -1 3 230.289 0.738 20 0 BCADHM O=C(c1csc(=O)[n-]1)N(CCCO)C1CC1 ZINC000684294200 488287598 /nfs/dbraw/zinc/28/75/98/488287598.db2.gz VBNBJUKTWKVIRK-UHFFFAOYSA-N -1 3 242.300 0.836 20 0 BCADHM CC1(F)CN(C(=O)C(=O)[N-]c2cnns2)C1 ZINC000684303889 488288532 /nfs/dbraw/zinc/28/85/32/488288532.db2.gz CXPSVOBJLWLHLZ-UHFFFAOYSA-N -1 3 244.251 0.047 20 0 BCADHM C[C@@H](C(=O)NCCCc1cc(=O)[nH][n-]1)C1CC1 ZINC000673546037 488295331 /nfs/dbraw/zinc/29/53/31/488295331.db2.gz SFSYHUXXQLXVOC-MRVPVSSYSA-N -1 3 237.303 0.805 20 0 BCADHM CCCCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673544412 488295498 /nfs/dbraw/zinc/29/54/98/488295498.db2.gz BYAGKOHMFGDCMN-UHFFFAOYSA-N -1 3 225.292 0.949 20 0 BCADHM NC(=O)c1cccc(C(=O)[N-]c2cnoc2)n1 ZINC000679789567 488366274 /nfs/dbraw/zinc/36/62/74/488366274.db2.gz AKEWGICJSKZRMK-UHFFFAOYSA-N -1 3 232.199 0.421 20 0 BCADHM O=C(NCC1(CO)CC1)c1ccc(O)cc1[O-] ZINC000122498951 490146020 /nfs/dbraw/zinc/14/60/20/490146020.db2.gz RKUQQMBREZSWQZ-UHFFFAOYSA-N -1 3 237.255 0.600 20 0 BCADHM CCOC(=O)c1cc(NC(=O)CCCF)n[n-]1 ZINC000597474640 490188866 /nfs/dbraw/zinc/18/88/66/490188866.db2.gz AKALQJXBJBRGEE-UHFFFAOYSA-N -1 3 243.238 1.275 20 0 BCADHM CCOC(=O)c1cc(NC(=O)CCCF)[n-]n1 ZINC000597474640 490188874 /nfs/dbraw/zinc/18/88/74/490188874.db2.gz AKALQJXBJBRGEE-UHFFFAOYSA-N -1 3 243.238 1.275 20 0 BCADHM CN(CCN(C)C1CC1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000647740373 490221979 /nfs/dbraw/zinc/22/19/79/490221979.db2.gz OKLNTXLSTSSGJX-NXEZZACHSA-N -1 3 240.303 0.260 20 0 BCADHM O=C(NCCn1ccnn1)c1ccccc1[O-] ZINC000136339759 491056164 /nfs/dbraw/zinc/05/61/64/491056164.db2.gz VCWUOXVBKSOUCS-UHFFFAOYSA-N -1 3 232.243 0.414 20 0 BCADHM O=C(C[N-]S(=O)(=O)C1COC1)C1CCCC1 ZINC000625546429 491120422 /nfs/dbraw/zinc/12/04/22/491120422.db2.gz QCFXALIQGIQQEU-UHFFFAOYSA-N -1 3 247.316 0.064 20 0 BCADHM Cc1nn(C)cc1CN[C@]1(C(=O)[O-])CCOC1 ZINC000417561956 491120587 /nfs/dbraw/zinc/12/05/87/491120587.db2.gz FCDSSGBUXDFLQP-LLVKDONJSA-N -1 3 239.275 0.062 20 0 BCADHM O=C(N[C@@H]1CCC(F)(F)C1)c1c[n-]nn1 ZINC000309087632 491144358 /nfs/dbraw/zinc/14/43/58/491144358.db2.gz ZVNBJAIYGGKBOJ-RXMQYKEDSA-N -1 3 216.191 0.722 20 0 BCADHM O=C(N[C@@H]1CCC(F)(F)C1)c1cnn[n-]1 ZINC000309087632 491144359 /nfs/dbraw/zinc/14/43/59/491144359.db2.gz ZVNBJAIYGGKBOJ-RXMQYKEDSA-N -1 3 216.191 0.722 20 0 BCADHM O=C(N[C@@H]1CCC(F)(F)C1)c1cn[n-]n1 ZINC000309087632 491144360 /nfs/dbraw/zinc/14/43/60/491144360.db2.gz ZVNBJAIYGGKBOJ-RXMQYKEDSA-N -1 3 216.191 0.722 20 0 BCADHM CSc1cccc(NC([O-])=NOCCO)n1 ZINC000806785235 582594036 /nfs/dbraw/zinc/59/40/36/582594036.db2.gz STLTVTYOJHQLMQ-UHFFFAOYSA-N -1 3 243.288 0.849 20 0 BCADHM CSc1cccc(NC(=O)[N-]OCCO)n1 ZINC000806785235 582594037 /nfs/dbraw/zinc/59/40/37/582594037.db2.gz STLTVTYOJHQLMQ-UHFFFAOYSA-N -1 3 243.288 0.849 20 0 BCADHM NC(=O)[N-]C(=O)OCCCN1CCC[C@H]1CF ZINC000495664459 534385058 /nfs/dbraw/zinc/38/50/58/534385058.db2.gz LRMJTLZMVDJNHE-QMMMGPOBSA-N -1 3 247.270 0.615 20 0 BCADHM CC1(O)CN(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000492760490 528044189 /nfs/dbraw/zinc/04/41/89/528044189.db2.gz DPQRDRVFQDTDDI-IHWYPQMZSA-N -1 3 234.255 0.394 20 0 BCADHM CCC(=O)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000492598538 528291822 /nfs/dbraw/zinc/29/18/22/528291822.db2.gz VJDWERYHRMFFIC-ONEGZZNKSA-N -1 3 234.255 0.896 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1CCCN(C(=O)OC)C1 ZINC000496663924 528601308 /nfs/dbraw/zinc/60/13/08/528601308.db2.gz SDYPADZPNFDWQH-SECBINFHSA-N -1 3 244.291 0.923 20 0 BCADHM CCOCCO[N-]C(=O)C=Cc1c[nH]cn1 ZINC000492770470 528816054 /nfs/dbraw/zinc/81/60/54/528816054.db2.gz QTRGFKWYNYQNQE-ARJAWSKDSA-N -1 3 225.248 0.507 20 0 BCADHM CCOCCO[N-]C(=O)C=Cc1c[nH]cn1 ZINC000492770480 528816393 /nfs/dbraw/zinc/81/63/93/528816393.db2.gz QTRGFKWYNYQNQE-ONEGZZNKSA-N -1 3 225.248 0.507 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)/C=C/c1ncc[nH]1 ZINC000493620769 529024941 /nfs/dbraw/zinc/02/49/41/529024941.db2.gz XQSRWQXZSLPGHH-NWALNABHSA-N -1 3 239.275 0.488 20 0 BCADHM CC(C)[C@H]1CCN(CC(=O)NCC(=O)[O-])C1 ZINC000262261005 535197685 /nfs/dbraw/zinc/19/76/85/535197685.db2.gz SEMDFLBMVXXHLT-VIFPVBQESA-N -1 3 228.292 0.165 20 0 BCADHM CC1(C)CN(c2nc3[nH][n-]cc-3c(=N)n2)CCO1 ZINC000341910928 535359437 /nfs/dbraw/zinc/35/94/37/535359437.db2.gz ANIVMRVCSZPZOL-UHFFFAOYSA-N -1 3 248.290 0.332 20 0 BCADHM CC[C@@H](C(=O)N[C@H](C)C(=O)[O-])N(CC)CC ZINC000261568880 535425132 /nfs/dbraw/zinc/42/51/32/535425132.db2.gz FXCZCFJKQHMZSX-BDAKNGLRSA-N -1 3 230.308 0.696 20 0 BCADHM CCC[C@H](C)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000336626887 535634674 /nfs/dbraw/zinc/63/46/74/535634674.db2.gz OBGJNHRFKVMCDT-IUCAKERBSA-N -1 3 225.292 0.411 20 0 BCADHM CC[C@@H]1CCCN(CC(=O)NCC(=O)[O-])CC1 ZINC000262246926 535819878 /nfs/dbraw/zinc/81/98/78/535819878.db2.gz PUBZRAAMTYNIRN-SNVBAGLBSA-N -1 3 242.319 0.699 20 0 BCADHM CCc1[nH]nc([N-]S(=O)(=O)N(C)C)c1C ZINC000342569173 536011658 /nfs/dbraw/zinc/01/16/58/536011658.db2.gz MHODKQVIZRCMAE-UHFFFAOYSA-N -1 3 232.309 0.499 20 0 BCADHM CC[C@H]1CN([C@@H](C)C(=O)[O-])CCN1CCOC ZINC000262226855 536157909 /nfs/dbraw/zinc/15/79/09/536157909.db2.gz LJLNXURJPZNKSV-QWRGUYRKSA-N -1 3 244.335 0.502 20 0 BCADHM CO[C@H]1CCCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354567495 536711835 /nfs/dbraw/zinc/71/18/35/536711835.db2.gz FNWSZBJZIQNBBT-ZETCQYMHSA-N -1 3 248.290 0.332 20 0 BCADHM O=S1(=O)CC[C@H](c2nc(C3CCC3)no2)[N-]1 ZINC000650536057 566300802 /nfs/dbraw/zinc/30/08/02/566300802.db2.gz HPJRSDYGBMJNNT-SSDOTTSWSA-N -1 3 243.288 0.701 20 0 BCADHM CCOC([O-])=NOC[C@@H]1COCCO1 ZINC000853727960 588759634 /nfs/dbraw/zinc/75/96/34/588759634.db2.gz VQQVNLOQBRXXIG-ZETCQYMHSA-N -1 3 205.210 0.080 20 0 BCADHM CCOC(=O)[N-]OC[C@@H]1COCCO1 ZINC000853727960 588759635 /nfs/dbraw/zinc/75/96/35/588759635.db2.gz VQQVNLOQBRXXIG-ZETCQYMHSA-N -1 3 205.210 0.080 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H](C)C(=O)NCCF ZINC000854343555 588784828 /nfs/dbraw/zinc/78/48/28/588784828.db2.gz JZZFNKRPVIGZKX-LURJTMIESA-N -1 3 240.225 0.622 20 0 BCADHM CCC(F)(F)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854488373 588789425 /nfs/dbraw/zinc/78/94/25/588789425.db2.gz SXOXYRGUQAYWLZ-UHFFFAOYSA-N -1 3 247.245 0.804 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H](CF)C(=O)OC ZINC000854474456 588789103 /nfs/dbraw/zinc/78/91/03/588789103.db2.gz LDOYILYOXRHRCI-YFKPBYRVSA-N -1 3 227.182 0.659 20 0 BCADHM NC(=O)CCCC(=O)[N-]Oc1ccccc1 ZINC000854538878 588791941 /nfs/dbraw/zinc/79/19/41/588791941.db2.gz SPORNYQGQWOFEH-UHFFFAOYSA-N -1 3 222.244 0.752 20 0 BCADHM CO[C@@H](C(=O)[N-]OCCN(C)C)C1CCC1 ZINC000854690917 588801663 /nfs/dbraw/zinc/80/16/63/588801663.db2.gz PWVICERHESFCLK-SNVBAGLBSA-N -1 3 230.308 0.411 20 0 BCADHM CC(C)O[N-]C(=O)CCc1cn(C)nn1 ZINC000854754234 588805805 /nfs/dbraw/zinc/80/58/05/588805805.db2.gz LUYLSLJJAFEHSO-UHFFFAOYSA-N -1 3 212.253 0.204 20 0 BCADHM CC1=NO[C@@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000854801045 588810501 /nfs/dbraw/zinc/81/05/01/588810501.db2.gz QZKJZKQHADAANR-ZCFIWIBFSA-N -1 3 241.272 0.743 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CCCF ZINC000854830642 588812536 /nfs/dbraw/zinc/81/25/36/588812536.db2.gz TYMDWAZLRVTKCZ-MRVPVSSYSA-N -1 3 207.245 0.801 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CCC12COC2 ZINC000854838532 588812811 /nfs/dbraw/zinc/81/28/11/588812811.db2.gz NBEXMDQMJCPWIF-OWOJBTEDSA-N -1 3 246.266 0.802 20 0 BCADHM CON1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000854864035 588814183 /nfs/dbraw/zinc/81/41/83/588814183.db2.gz LSGWLDXOGJXUKQ-UHFFFAOYSA-N -1 3 236.271 0.711 20 0 BCADHM CN(C)CCO[N-]C(=O)C1(C(F)(F)F)CC1 ZINC000854945953 588817852 /nfs/dbraw/zinc/81/78/52/588817852.db2.gz XYOBUNZJADWUKC-UHFFFAOYSA-N -1 3 240.225 0.938 20 0 BCADHM C[C@H](C(=O)[N-]OCCN(C)C)c1ccnn1C ZINC000854947307 588818235 /nfs/dbraw/zinc/81/82/35/588818235.db2.gz PUHDXCHKMFBPQA-VIFPVBQESA-N -1 3 240.307 0.133 20 0 BCADHM CC1=NO[C@@H](C(=O)[N-]C2=NC[C@H](C)S2)C1 ZINC000854992454 588819922 /nfs/dbraw/zinc/81/99/22/588819922.db2.gz MYGWJHHOGZAPSR-NKWVEPMBSA-N -1 3 227.289 0.759 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H](CO)C1CC1 ZINC000866847434 582459770 /nfs/dbraw/zinc/45/97/70/582459770.db2.gz ACYVORBYTFPRHW-QMMMGPOBSA-N -1 3 246.288 0.032 20 0 BCADHM O=C(NCC[C@H](O)C1CC1)c1cc(=O)[n-]cn1 ZINC000890712839 582512085 /nfs/dbraw/zinc/51/20/85/582512085.db2.gz BMGGNZCSEGGLCF-VIFPVBQESA-N -1 3 237.259 0.073 20 0 BCADHM CSCC(C)(C)NC(=O)c1c[n-]nn1 ZINC000890876037 582585698 /nfs/dbraw/zinc/58/56/98/582585698.db2.gz FJWAHDXWLLNYML-UHFFFAOYSA-N -1 3 214.294 0.676 20 0 BCADHM CSCC(C)(C)NC(=O)c1cnn[n-]1 ZINC000890876037 582585699 /nfs/dbraw/zinc/58/56/99/582585699.db2.gz FJWAHDXWLLNYML-UHFFFAOYSA-N -1 3 214.294 0.676 20 0 BCADHM CSCC(C)(C)NC(=O)c1cn[n-]n1 ZINC000890876037 582585700 /nfs/dbraw/zinc/58/57/00/582585700.db2.gz FJWAHDXWLLNYML-UHFFFAOYSA-N -1 3 214.294 0.676 20 0 BCADHM CC[C@@H]1OCC[C@H]1C(=O)[N-]c1nnnn1CC ZINC000891340695 582666700 /nfs/dbraw/zinc/66/67/00/582666700.db2.gz STFNSAKJBCHTIQ-SFYZADRCSA-N -1 3 239.279 0.447 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@]1(C)CCCO1 ZINC000891339962 582667030 /nfs/dbraw/zinc/66/70/30/582667030.db2.gz MAHTXGYBYCQTTH-VIFPVBQESA-N -1 3 225.252 0.201 20 0 BCADHM CCn1nnnc1[N-]C(=O)C[C@H]1CCCCO1 ZINC000891340031 582667272 /nfs/dbraw/zinc/66/72/72/582667272.db2.gz NEXHMWCTIDMEIN-MRVPVSSYSA-N -1 3 239.279 0.591 20 0 BCADHM CC[C@@H]1CC[C@@H](C(=O)[N-]c2nnnn2CC)O1 ZINC000891340933 582667545 /nfs/dbraw/zinc/66/75/45/582667545.db2.gz VIKDLUBUSKVLRH-SFYZADRCSA-N -1 3 239.279 0.589 20 0 BCADHM CCn1nnnc1[N-]C(=O)C1CC(F)(F)C1 ZINC000891340914 582667564 /nfs/dbraw/zinc/66/75/64/582667564.db2.gz USXPJCGMODWYFL-UHFFFAOYSA-N -1 3 231.206 0.677 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)c2ccccc21)c1c[n-]nn1 ZINC000855717779 588845771 /nfs/dbraw/zinc/84/57/71/588845771.db2.gz URTJZNVHLQMNHV-GXSJLCMTSA-N -1 3 244.254 0.713 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)c2ccccc21)c1cnn[n-]1 ZINC000855717779 588845772 /nfs/dbraw/zinc/84/57/72/588845772.db2.gz URTJZNVHLQMNHV-GXSJLCMTSA-N -1 3 244.254 0.713 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)c2ccccc21)c1cn[n-]n1 ZINC000855717779 588845773 /nfs/dbraw/zinc/84/57/73/588845773.db2.gz URTJZNVHLQMNHV-GXSJLCMTSA-N -1 3 244.254 0.713 20 0 BCADHM C[C@@H](Nc1cc(=O)[n-]cn1)c1nnc2n1CCC2 ZINC000891678925 582709515 /nfs/dbraw/zinc/70/95/15/582709515.db2.gz NXSAMKGIJXBHEN-SSDOTTSWSA-N -1 3 246.274 0.893 20 0 BCADHM O=C(NC1CC1)[C@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000891760014 582717425 /nfs/dbraw/zinc/71/74/25/582717425.db2.gz JJVXPMPVCRMTMJ-SECBINFHSA-N -1 3 248.286 0.430 20 0 BCADHM C[C@H](CN1CCCC1=O)Nc1cc(=O)[n-]cn1 ZINC000891914494 582736965 /nfs/dbraw/zinc/73/69/65/582736965.db2.gz ZXQJGAHQRIUTFL-MRVPVSSYSA-N -1 3 236.275 0.605 20 0 BCADHM CC(=O)[N-]OCC(=O)N1CCCCC1 ZINC000119931896 582807573 /nfs/dbraw/zinc/80/75/73/582807573.db2.gz JUHQHZLNPGITEX-UHFFFAOYSA-N -1 3 200.238 0.067 20 0 BCADHM C/C(=C/CN1CCC(C(N)=O)CC1)C(=O)[O-] ZINC000214585775 582823657 /nfs/dbraw/zinc/82/36/57/582823657.db2.gz BTODUNBOCDOLBG-WAPJZHGLSA-N -1 3 226.276 0.215 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@@H]1CO ZINC000889132163 582830790 /nfs/dbraw/zinc/83/07/90/582830790.db2.gz CJWCMWFVHKPEDB-MRVPVSSYSA-N -1 3 207.229 0.599 20 0 BCADHM CC1(C(=O)[N-]OCCN2CCCC2=O)CCC1 ZINC000856041635 588858437 /nfs/dbraw/zinc/85/84/37/588858437.db2.gz SSQATKVCHZQZFT-UHFFFAOYSA-N -1 3 240.303 0.847 20 0 BCADHM C[C@H](C(=O)[N-]OCCN(C)C)c1ccncc1 ZINC000868629595 582877597 /nfs/dbraw/zinc/87/75/97/582877597.db2.gz QPWXRGPCVJXBLG-JTQLQIEISA-N -1 3 237.303 0.795 20 0 BCADHM Cc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)cc(=O)[n-]1 ZINC000892802574 582986585 /nfs/dbraw/zinc/98/65/85/582986585.db2.gz TXUSYRXHTNUGQR-MRVPVSSYSA-N -1 3 248.286 0.666 20 0 BCADHM CCC(=O)N1CC[C@H](Nc2cc(=O)[n-]cn2)C1 ZINC000892928578 583011119 /nfs/dbraw/zinc/01/11/19/583011119.db2.gz JJYYSZGXEHZMGK-QMMMGPOBSA-N -1 3 236.275 0.605 20 0 BCADHM O=c1cc(N[C@H](CO)CC2CC2)nc[n-]1 ZINC000892976745 583024284 /nfs/dbraw/zinc/02/42/84/583024284.db2.gz HZXMQUBHJFCYSK-QMMMGPOBSA-N -1 3 209.249 0.755 20 0 BCADHM CNC(=O)[C@H]1CCC[C@H]1Nc1cc(=O)[n-]cn1 ZINC000893053996 583038462 /nfs/dbraw/zinc/03/84/62/583038462.db2.gz TVYWDTXPNSQXBT-JGVFFNPUSA-N -1 3 236.275 0.509 20 0 BCADHM CC1(C)OCC(Nc2cc(=O)[n-]cn2)CO1 ZINC000893162343 583060118 /nfs/dbraw/zinc/06/01/18/583060118.db2.gz JTAXRJBSJWUZSJ-UHFFFAOYSA-N -1 3 225.248 0.746 20 0 BCADHM Cn1ncc(CCC(=O)[N-]OCC2CCC2)n1 ZINC000856344726 588868451 /nfs/dbraw/zinc/86/84/51/588868451.db2.gz SSDRLGPFSCKADT-UHFFFAOYSA-N -1 3 238.291 0.596 20 0 BCADHM O=C(C[C@@H]1COC(=O)C1)[N-]OCC1CCC1 ZINC000856347793 588869001 /nfs/dbraw/zinc/86/90/01/588869001.db2.gz DGWYNTPBOMAYNV-VIFPVBQESA-N -1 3 227.260 0.788 20 0 BCADHM CCCCSCCC(=O)[N-]OCCO ZINC000776580193 583124540 /nfs/dbraw/zinc/12/45/40/583124540.db2.gz TYHDQKPNLZDIRB-UHFFFAOYSA-N -1 3 221.322 0.950 20 0 BCADHM O=c1cc(N2CC(F)(F)C[C@@H]2CO)nc[n-]1 ZINC000893363382 583124782 /nfs/dbraw/zinc/12/47/82/583124782.db2.gz JXZMQALZFVRVCT-ZCFIWIBFSA-N -1 3 231.202 0.389 20 0 BCADHM C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]OC(C)(C)CO ZINC000857285095 583136864 /nfs/dbraw/zinc/13/68/64/583136864.db2.gz XYUGDQLAGUOWSD-RKDXNWHRSA-N -1 3 243.303 0.810 20 0 BCADHM C[C@H]1C[C@@H](C(=O)[N-]OC(C)(C)CO)CCO1 ZINC000857285160 583136938 /nfs/dbraw/zinc/13/69/38/583136938.db2.gz ZIRFFOLVQFYNIQ-IUCAKERBSA-N -1 3 231.292 0.620 20 0 BCADHM O=c1cc(NC[C@@H](CO)[C@H]2CCOC2)nc[n-]1 ZINC000893642229 583184187 /nfs/dbraw/zinc/18/41/87/583184187.db2.gz MUSMBHBIRLMAEA-IUCAKERBSA-N -1 3 239.275 0.239 20 0 BCADHM O=c1cc(NC[C@@H](CO)[C@@H]2CCOC2)nc[n-]1 ZINC000893642227 583184206 /nfs/dbraw/zinc/18/42/06/583184206.db2.gz MUSMBHBIRLMAEA-BDAKNGLRSA-N -1 3 239.275 0.239 20 0 BCADHM O=c1cc(N2CC[C@](F)(CO)C2)nc[n-]1 ZINC000893727662 583215695 /nfs/dbraw/zinc/21/56/95/583215695.db2.gz KUUANEQZRHQIDW-SECBINFHSA-N -1 3 213.212 0.093 20 0 BCADHM O=c1cc(N2CC[C@@](O)(C(F)F)C2)nc[n-]1 ZINC000894048021 583287737 /nfs/dbraw/zinc/28/77/37/583287737.db2.gz HEDAIQJXZJQXMU-VIFPVBQESA-N -1 3 231.202 0.389 20 0 BCADHM C[C@@H](Cc1cnn(C)c1)Nc1cc(=O)[n-]cn1 ZINC000894098572 583303083 /nfs/dbraw/zinc/30/30/83/583303083.db2.gz ITDSFRWNWDQXCR-QMMMGPOBSA-N -1 3 233.275 0.959 20 0 BCADHM Cn1ncc2c1CCCN(c1cc(=O)[n-]cn1)C2 ZINC000894182151 583329805 /nfs/dbraw/zinc/32/98/05/583329805.db2.gz HCRROYUMOGTZEN-UHFFFAOYSA-N -1 3 245.286 0.869 20 0 BCADHM C[C@@H]1[C@H](CO)CCCN1c1cc(=O)[n-]cn1 ZINC000894219819 583381206 /nfs/dbraw/zinc/38/12/06/583381206.db2.gz IBZFWXSEVOVRIJ-BDAKNGLRSA-N -1 3 223.276 0.779 20 0 BCADHM C[C@H]1[C@@H](CO)CCCN1c1cc(=O)[n-]cn1 ZINC000894219820 583381458 /nfs/dbraw/zinc/38/14/58/583381458.db2.gz IBZFWXSEVOVRIJ-DTWKUNHWSA-N -1 3 223.276 0.779 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]OC(C)(C)CO ZINC000857284205 588902783 /nfs/dbraw/zinc/90/27/83/588902783.db2.gz BFUXIEKOUAOUMT-SSDOTTSWSA-N -1 3 233.264 0.004 20 0 BCADHM O=c1cc([C@@H]2CCN(c3cnccn3)C2)[n-][nH]1 ZINC000894373396 583441088 /nfs/dbraw/zinc/44/10/88/583441088.db2.gz RRZKKUINJKZRKX-MRVPVSSYSA-N -1 3 231.259 0.899 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC000857285428 588903524 /nfs/dbraw/zinc/90/35/24/588903524.db2.gz BOQGBOCRQFRQLU-NHCYSSNCSA-N -1 3 243.303 0.478 20 0 BCADHM CC(=O)CCCC(=O)[N-]OC(C)(C)CO ZINC000857285000 588903545 /nfs/dbraw/zinc/90/35/45/588903545.db2.gz OSIABBCFXYGLRK-UHFFFAOYSA-N -1 3 217.265 0.564 20 0 BCADHM C[C@H]1C[C@H](C(=O)[N-]OC(C)(C)CO)CCO1 ZINC000857285159 588903713 /nfs/dbraw/zinc/90/37/13/588903713.db2.gz ZIRFFOLVQFYNIQ-DTWKUNHWSA-N -1 3 231.292 0.620 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCc1nccs1 ZINC000857285221 588903753 /nfs/dbraw/zinc/90/37/53/588903753.db2.gz UQPBPTCTOMLVNP-UHFFFAOYSA-N -1 3 244.316 0.894 20 0 BCADHM O=c1cc(N2CC[C@@H](Cn3ccnn3)C2)nc[n-]1 ZINC000894484626 583471064 /nfs/dbraw/zinc/47/10/64/583471064.db2.gz AECWUKLYYWUSOK-SECBINFHSA-N -1 3 246.274 0.300 20 0 BCADHM O=c1cc(N2CC[C@H](Cn3ccnn3)C2)nc[n-]1 ZINC000894484629 583471177 /nfs/dbraw/zinc/47/11/77/583471177.db2.gz AECWUKLYYWUSOK-VIFPVBQESA-N -1 3 246.274 0.300 20 0 BCADHM C[C@@H]1C[C@@H](Nc2cc(=O)[n-]cn2)c2ncnn21 ZINC000894493088 583473568 /nfs/dbraw/zinc/47/35/68/583473568.db2.gz SKIPHGSGEKUQGO-RNFRBKRXSA-N -1 3 232.247 0.892 20 0 BCADHM O=c1cc(N2CCC[C@@](O)(C3CC3)C2)nc[n-]1 ZINC000894545150 583481506 /nfs/dbraw/zinc/48/15/06/583481506.db2.gz SPAQFGBNEBPCLS-LBPRGKRZSA-N -1 3 235.287 0.924 20 0 BCADHM O=c1cc(N2CC[C@@]3(O)C[C@H]3C2)nc[n-]1 ZINC000894564466 583484136 /nfs/dbraw/zinc/48/41/36/583484136.db2.gz BMWHUAKXXBSOBQ-OIBJUYFYSA-N -1 3 207.233 0.143 20 0 BCADHM CON(C)C(=O)[C@@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000894820600 583525125 /nfs/dbraw/zinc/52/51/25/583525125.db2.gz ZFWZURQCZHFFJK-ZCFIWIBFSA-N -1 3 240.263 0.311 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC000857285429 588903446 /nfs/dbraw/zinc/90/34/46/588903446.db2.gz BOQGBOCRQFRQLU-SCVCMEIPSA-N -1 3 243.303 0.478 20 0 BCADHM CC[C@H](OC(=O)c1ccc([O-])cc1)C(N)=O ZINC000726991547 583584668 /nfs/dbraw/zinc/58/46/68/583584668.db2.gz ZZWZFZSMDDHEKM-VIFPVBQESA-N -1 3 223.228 0.813 20 0 BCADHM Nc1ccc(C(=O)NC[C@H]2CCCO2)c([O-])c1 ZINC000211601362 583602902 /nfs/dbraw/zinc/60/29/02/583602902.db2.gz PAOWMHYEKYCHPW-SECBINFHSA-N -1 3 236.271 0.883 20 0 BCADHM Cc1csc(=O)n1CCn1c([O-])coc1=O ZINC000882273604 583603030 /nfs/dbraw/zinc/60/30/30/583603030.db2.gz RGYNLOWMMNGHJK-UHFFFAOYSA-N -1 3 242.256 0.197 20 0 BCADHM CCO[N-]C(=O)CNCc1c(C)ccnc1N ZINC000895148473 583605616 /nfs/dbraw/zinc/60/56/16/583605616.db2.gz IWHTUEHNEYSLCS-UHFFFAOYSA-N -1 3 238.291 0.130 20 0 BCADHM O=c1cc(N[C@H](CO)C[C@@H]2CCCO2)nc[n-]1 ZINC000895203298 583624315 /nfs/dbraw/zinc/62/43/15/583624315.db2.gz WLHOTGYCXVLXOZ-IUCAKERBSA-N -1 3 239.275 0.524 20 0 BCADHM O=c1cc(N[C@H]2CC[C@@H](O)[C@@H](O)CC2)nc[n-]1 ZINC000895201545 583624634 /nfs/dbraw/zinc/62/46/34/583624634.db2.gz HXPYQOULTVRPIE-AYMMMOKOSA-N -1 3 239.275 0.259 20 0 BCADHM CCO[N-]C(=O)c1cn(C)nc1Br ZINC000895526813 583684520 /nfs/dbraw/zinc/68/45/20/583684520.db2.gz SDJFZOFJOXNIAH-UHFFFAOYSA-N -1 3 248.080 0.864 20 0 BCADHM CCN(CCC(N)=O)c1cc(Cl)n[n-]c1=O ZINC000895886871 583739095 /nfs/dbraw/zinc/73/90/95/583739095.db2.gz MSRLNJUKMOXAJE-UHFFFAOYSA-N -1 3 244.682 0.537 20 0 BCADHM O=C([N-]C1=NCCS1)[C@H]1CCCOC1 ZINC000727704095 583741461 /nfs/dbraw/zinc/74/14/61/583741461.db2.gz DDJQCBZSJQUKJF-ZETCQYMHSA-N -1 3 214.290 0.632 20 0 BCADHM Cc1nc(NCC[C@H]2CNC(=O)C2)cc(=O)[n-]1 ZINC000896134886 583774850 /nfs/dbraw/zinc/77/48/50/583774850.db2.gz BXHRKHCNRFFBTK-MRVPVSSYSA-N -1 3 236.275 0.429 20 0 BCADHM O=c1cc(NCC2CC3(C2)OCCO3)nc[n-]1 ZINC000896151883 583776660 /nfs/dbraw/zinc/77/66/60/583776660.db2.gz SEAJWZVLXXSHCY-UHFFFAOYSA-N -1 3 237.259 0.747 20 0 BCADHM Cc1nccn1CCCC(=O)Nc1nnn[n-]1 ZINC000728207413 583851491 /nfs/dbraw/zinc/85/14/91/583851491.db2.gz PVOKYIALQLUZBE-UHFFFAOYSA-N -1 3 235.251 0.124 20 0 BCADHM Cc1nccn1CCCC(=O)Nc1nn[n-]n1 ZINC000728207413 583851492 /nfs/dbraw/zinc/85/14/92/583851492.db2.gz PVOKYIALQLUZBE-UHFFFAOYSA-N -1 3 235.251 0.124 20 0 BCADHM CO[N-]C(=O)CNCc1cc(C)nc(Cl)c1 ZINC000896925846 583858048 /nfs/dbraw/zinc/85/80/48/583858048.db2.gz BSAPJOYXAUXVRN-UHFFFAOYSA-N -1 3 243.694 0.811 20 0 BCADHM CC1CC([N-]S(=O)(=O)N=S(C)(C)=O)C1 ZINC000866908219 583868617 /nfs/dbraw/zinc/86/86/17/583868617.db2.gz FKRZKUIOKPYCLL-UHFFFAOYSA-N -1 3 240.350 0.347 20 0 BCADHM CC(=O)OC[C@H](C)NCc1cncc([O-])c1 ZINC000897305548 583912608 /nfs/dbraw/zinc/91/26/08/583912608.db2.gz XBBPXMXXWAULAH-QMMMGPOBSA-N -1 3 224.260 0.828 20 0 BCADHM COCC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888116446 583966753 /nfs/dbraw/zinc/96/67/53/583966753.db2.gz LPFJMPJEWHJTCR-UHFFFAOYSA-N -1 3 241.247 0.560 20 0 BCADHM COCC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888116446 583966754 /nfs/dbraw/zinc/96/67/54/583966754.db2.gz LPFJMPJEWHJTCR-UHFFFAOYSA-N -1 3 241.247 0.560 20 0 BCADHM O=C1[N-]C(=O)C2(CN(Cc3ccccc3F)C2)N1 ZINC000897907516 584059669 /nfs/dbraw/zinc/05/96/69/584059669.db2.gz DZHDYFWKABGTMN-UHFFFAOYSA-N -1 3 249.245 0.220 20 0 BCADHM Cc1ccc(CN2CC3(C2)NC(=O)[N-]C3=O)cc1 ZINC000897908479 584060167 /nfs/dbraw/zinc/06/01/67/584060167.db2.gz VSKNNMBVOTZBRT-UHFFFAOYSA-N -1 3 245.282 0.389 20 0 BCADHM O=C([N-]OCCO)[C@H]1C[C@@]12CCc1ccccc12 ZINC000787286359 584117916 /nfs/dbraw/zinc/11/79/16/584117916.db2.gz WTPHYSFHKJGNGN-TZMCWYRMSA-N -1 3 247.294 0.931 20 0 BCADHM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]OCCO)CCO1 ZINC000787292024 584118123 /nfs/dbraw/zinc/11/81/23/584118123.db2.gz OTIZPIFFDWBTEW-QWRGUYRKSA-N -1 3 245.319 0.868 20 0 BCADHM Cc1occc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898728010 584155665 /nfs/dbraw/zinc/15/56/65/584155665.db2.gz GIARPWKVKISSAN-VIFPVBQESA-N -1 3 249.270 0.830 20 0 BCADHM CCC(F)(F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898743965 584155809 /nfs/dbraw/zinc/15/58/09/584155809.db2.gz VXKAODMQRXGXRV-SSDOTTSWSA-N -1 3 247.245 0.660 20 0 BCADHM CCCOCC(=O)NCCCc1c[n-][nH]c1=O ZINC000898733566 584155899 /nfs/dbraw/zinc/15/58/99/584155899.db2.gz HTOSICMTCIJGSI-SECBINFHSA-N -1 3 241.291 0.041 20 0 BCADHM CC[C@H](OC)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898730702 584156092 /nfs/dbraw/zinc/15/60/92/584156092.db2.gz BLFUKYJWGFOCRN-BDAKNGLRSA-N -1 3 241.291 0.040 20 0 BCADHM CS[C@@H](C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898729138 584156106 /nfs/dbraw/zinc/15/61/06/584156106.db2.gz DLMDYZMTMWDGTI-YUMQZZPRSA-N -1 3 243.332 0.366 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CC12CCC2 ZINC000898736906 584156429 /nfs/dbraw/zinc/15/64/29/584156429.db2.gz KUEXMKWWJYMGBC-ZJUUUORDSA-N -1 3 249.314 0.805 20 0 BCADHM CC1(C)C[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898737098 584156677 /nfs/dbraw/zinc/15/66/77/584156677.db2.gz NGVGEZXKOOKUTJ-DTWKUNHWSA-N -1 3 237.303 0.661 20 0 BCADHM CC/C=C(/C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739506 584157175 /nfs/dbraw/zinc/15/71/75/584157175.db2.gz JYSGUVXNIDIEJK-BSKOKIOFSA-N -1 3 237.303 0.971 20 0 BCADHM Cn1cncc1[C@@H](CO)[N-]C(=O)C(C)(F)F ZINC000898891748 584164734 /nfs/dbraw/zinc/16/47/34/584164734.db2.gz LAHHOQWPZMXSET-ZCFIWIBFSA-N -1 3 233.218 0.225 20 0 BCADHM CC1(C)CC[C@@H](CC(=O)[N-]OCCO)OC1 ZINC000898939212 584167521 /nfs/dbraw/zinc/16/75/21/584167521.db2.gz LIPNGBGCYWOCAK-VIFPVBQESA-N -1 3 231.292 0.622 20 0 BCADHM O=C(C[C@@H]1CCC2(CCC2)CO1)[N-]OCCO ZINC000898939590 584167672 /nfs/dbraw/zinc/16/76/72/584167672.db2.gz RJAWPTFJACJGQS-JTQLQIEISA-N -1 3 243.303 0.766 20 0 BCADHM CC(C)n1[nH]cnc1=NC(=O)c1cc(=O)cc[n-]1 ZINC000899166309 584178923 /nfs/dbraw/zinc/17/89/23/584178923.db2.gz ZMDIRCRKSKFVGR-UHFFFAOYSA-N -1 3 247.258 0.222 20 0 BCADHM C[C@@H](O)Cn1[n-]cc2c(=O)ccc(F)c-2c1=O ZINC000899353383 584200594 /nfs/dbraw/zinc/20/05/94/584200594.db2.gz YODOZOJOKJZDTH-ZCFIWIBFSA-N -1 3 238.218 0.622 20 0 BCADHM C[C@@H](O)Cn1ncc2c([O-])ccc(F)c2c1=O ZINC000899353383 584200596 /nfs/dbraw/zinc/20/05/96/584200596.db2.gz YODOZOJOKJZDTH-ZCFIWIBFSA-N -1 3 238.218 0.622 20 0 BCADHM CC[C@H](O)Cn1[n-]cc2c(=O)cccc-2c1=O ZINC000899355264 584201630 /nfs/dbraw/zinc/20/16/30/584201630.db2.gz PEDORLWSWPYFMK-QMMMGPOBSA-N -1 3 234.255 0.873 20 0 BCADHM CC[C@H](O)Cn1ncc2c([O-])cccc2c1=O ZINC000899355264 584201631 /nfs/dbraw/zinc/20/16/31/584201631.db2.gz PEDORLWSWPYFMK-QMMMGPOBSA-N -1 3 234.255 0.873 20 0 BCADHM CN(CCO)CCNC(=O)c1ccccc1[O-] ZINC000899726339 584229885 /nfs/dbraw/zinc/22/98/85/584229885.db2.gz LKYMKKGIRXRZIY-UHFFFAOYSA-N -1 3 238.287 0.046 20 0 BCADHM CCn1cc(CNC(C)(C)C(=O)[O-])nn1 ZINC000900033105 584267713 /nfs/dbraw/zinc/26/77/13/584267713.db2.gz MQSTVLJOOIDHFJ-UHFFFAOYSA-N -1 3 212.253 0.251 20 0 BCADHM CCO[N-]C(=O)CNc1ccnc(CO)c1 ZINC000858607334 588971139 /nfs/dbraw/zinc/97/11/39/588971139.db2.gz ZBLLQRXHAQMLFJ-UHFFFAOYSA-N -1 3 225.248 0.054 20 0 BCADHM CC1(C)CCN(CCNC(=O)NCC(=O)[O-])C1 ZINC000900307282 584293257 /nfs/dbraw/zinc/29/32/57/584293257.db2.gz XITOLEFPDHGOGY-UHFFFAOYSA-N -1 3 243.307 0.102 20 0 BCADHM CC=C[C@H](O)C(=O)Nc1nnc(SC)[n-]1 ZINC000900440439 584311003 /nfs/dbraw/zinc/31/10/03/584311003.db2.gz GPZXIBZYJBTBGG-BHYDHMSTSA-N -1 3 228.277 0.402 20 0 BCADHM CC=C[C@H](O)C(=O)Nc1nc(SC)n[n-]1 ZINC000900440439 584311004 /nfs/dbraw/zinc/31/10/04/584311004.db2.gz GPZXIBZYJBTBGG-BHYDHMSTSA-N -1 3 228.277 0.402 20 0 BCADHM CC=C[C@H](O)C(=O)Nc1n[n-]c(SC)n1 ZINC000900440439 584311005 /nfs/dbraw/zinc/31/10/05/584311005.db2.gz GPZXIBZYJBTBGG-BHYDHMSTSA-N -1 3 228.277 0.402 20 0 BCADHM CC=C[C@@H](O)C(=O)Nc1nc(SC)n[n-]1 ZINC000900440441 584311138 /nfs/dbraw/zinc/31/11/38/584311138.db2.gz GPZXIBZYJBTBGG-CLBPYYFESA-N -1 3 228.277 0.402 20 0 BCADHM CC=C[C@@H](O)C(=O)Nc1nnc(SC)[n-]1 ZINC000900440441 584311137 /nfs/dbraw/zinc/31/11/37/584311137.db2.gz GPZXIBZYJBTBGG-CLBPYYFESA-N -1 3 228.277 0.402 20 0 BCADHM CC=C[C@@H](O)C(=O)Nc1n[n-]c(SC)n1 ZINC000900440441 584311141 /nfs/dbraw/zinc/31/11/41/584311141.db2.gz GPZXIBZYJBTBGG-CLBPYYFESA-N -1 3 228.277 0.402 20 0 BCADHM O=C(N[C@H]1C[C@H](CO)C1)c1c([O-])cccc1O ZINC000900728544 584346747 /nfs/dbraw/zinc/34/67/47/584346747.db2.gz AKFWRKZHLPBJGH-ZKCHVHJHSA-N -1 3 237.255 0.599 20 0 BCADHM CC[C@@H](NC)C(=O)[N-]S(=O)(=O)c1ccoc1 ZINC000901035867 584376427 /nfs/dbraw/zinc/37/64/27/584376427.db2.gz WSNNMWSYUSGNRU-MRVPVSSYSA-N -1 3 246.288 0.083 20 0 BCADHM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CCN)C1 ZINC000901095706 584384676 /nfs/dbraw/zinc/38/46/76/584384676.db2.gz JSFXABPRRYGLJR-BDAKNGLRSA-N -1 3 248.348 0.217 20 0 BCADHM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCN ZINC000901096163 584384702 /nfs/dbraw/zinc/38/47/02/584384702.db2.gz MSLKIXBPUYAABL-BDAKNGLRSA-N -1 3 248.348 0.217 20 0 BCADHM Cc1ccc(C(=O)[N-]S(=O)(=O)CCN)cc1 ZINC000901095462 584384773 /nfs/dbraw/zinc/38/47/73/584384773.db2.gz ZBTJFMWGYJIZQP-UHFFFAOYSA-N -1 3 242.300 0.013 20 0 BCADHM CCOCCN1CCN(CC(=O)[O-])C[C@@H]1C ZINC000116396167 588979862 /nfs/dbraw/zinc/97/98/62/588979862.db2.gz OWJZWPFDEQWEGC-JTQLQIEISA-N -1 3 230.308 0.114 20 0 BCADHM Cc1ccn(CC(=O)[N-]C2=NCCS2)n1 ZINC000901154099 584391478 /nfs/dbraw/zinc/39/14/78/584391478.db2.gz JTKDDEUXDPFSDO-UHFFFAOYSA-N -1 3 224.289 0.411 20 0 BCADHM Cn1cc(C(=O)[N-]C2=NCCS2)c(Cl)n1 ZINC000901153861 584391867 /nfs/dbraw/zinc/39/18/67/584391867.db2.gz HXUILYLUTZXMQL-UHFFFAOYSA-N -1 3 244.707 0.906 20 0 BCADHM C[C@H](C(=O)[N-]C1=NCCS1)c1ccnn1C ZINC000901155518 584392332 /nfs/dbraw/zinc/39/23/32/584392332.db2.gz XKTQSUJVKIOMIL-ZETCQYMHSA-N -1 3 238.316 0.743 20 0 BCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000901244165 584407521 /nfs/dbraw/zinc/40/75/21/584407521.db2.gz QDVLRVZHPGCSOO-RITPCOANSA-N -1 3 238.218 0.591 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@H](O)C(C)(C)O ZINC000901293927 584423029 /nfs/dbraw/zinc/42/30/29/584423029.db2.gz NQTNPWZBSWIMEA-JTQLQIEISA-N -1 3 239.271 0.771 20 0 BCADHM CC[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])N(C)C ZINC000901495527 584453344 /nfs/dbraw/zinc/45/33/44/584453344.db2.gz JOZTZWODAQQMKO-NXEZZACHSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])N(C)C ZINC000901685957 584481107 /nfs/dbraw/zinc/48/11/07/584481107.db2.gz BQJMEBBVPHUJNC-VIFPVBQESA-N -1 3 244.335 0.944 20 0 BCADHM C[C@@H]1CN(CC2(C)CC2)C[C@H](C(=O)[O-])O1 ZINC000901911567 584505779 /nfs/dbraw/zinc/50/57/79/584505779.db2.gz YHKAEXRJSDLAFO-RKDXNWHRSA-N -1 3 213.277 0.960 20 0 BCADHM CC[C@H](C(=O)N(CC)[C@H](C)C(=O)[O-])N(C)C ZINC000902044729 584516415 /nfs/dbraw/zinc/51/64/15/584516415.db2.gz ASPWIFDGZOYXPG-RKDXNWHRSA-N -1 3 230.308 0.648 20 0 BCADHM CC[C@@H](C(=O)N(CC)[C@H](C)C(=O)[O-])N(C)C ZINC000902044726 584516463 /nfs/dbraw/zinc/51/64/63/584516463.db2.gz ASPWIFDGZOYXPG-BDAKNGLRSA-N -1 3 230.308 0.648 20 0 BCADHM CC[C@H](C(=O)N(CC(=O)[O-])C1CCC1)N(C)C ZINC000902031032 584519145 /nfs/dbraw/zinc/51/91/45/584519145.db2.gz GVINPFTXCHYRPZ-SNVBAGLBSA-N -1 3 242.319 0.792 20 0 BCADHM COc1ccc(C[N-]c2nnc(CO)o2)o1 ZINC000902067736 584522940 /nfs/dbraw/zinc/52/29/40/584522940.db2.gz LTMBPTOVBUYSQO-UHFFFAOYSA-N -1 3 225.204 0.776 20 0 BCADHM CON1CC[C@H](O[N-]C(=O)C(C)(C)C)C1=O ZINC000902238996 584543953 /nfs/dbraw/zinc/54/39/53/584543953.db2.gz LAKWWILNTIZTEA-ZETCQYMHSA-N -1 3 230.264 0.243 20 0 BCADHM O=C(CCO)NCc1ccc([O-])c(F)c1 ZINC000902870943 584684089 /nfs/dbraw/zinc/68/40/89/584684089.db2.gz WIDNAUQTMSHEQO-UHFFFAOYSA-N -1 3 213.208 0.530 20 0 BCADHM NS(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@H]1F ZINC000902902401 584693888 /nfs/dbraw/zinc/69/38/88/584693888.db2.gz BPCQLSIZEVOMRP-VXNVDRBHSA-N -1 3 246.263 0.251 20 0 BCADHM O=C([O-])C1(NCc2cc[nH]n2)CCCC1 ZINC000903401484 584760661 /nfs/dbraw/zinc/76/06/61/584760661.db2.gz PEIVGMMWJQCKCB-UHFFFAOYSA-N -1 3 209.249 0.897 20 0 BCADHM C[C@@H](CO)CN1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903615962 584786920 /nfs/dbraw/zinc/78/69/20/584786920.db2.gz AUKUKGUPTJMAEH-CSMHCCOUSA-N -1 3 205.229 0.112 20 0 BCADHM CC(C)C[C@H](C(=O)[O-])N1CC[C@@H](O)[C@@H](F)C1 ZINC000903712124 584793047 /nfs/dbraw/zinc/79/30/47/584793047.db2.gz FLVIEZPPSVLRPC-IVZWLZJFSA-N -1 3 233.283 0.890 20 0 BCADHM Cn1nnnc1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000904189181 584848142 /nfs/dbraw/zinc/84/81/42/584848142.db2.gz DAIWWKCQMLDPQT-UHFFFAOYSA-N -1 3 234.219 0.328 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000904190704 584848769 /nfs/dbraw/zinc/84/87/69/584848769.db2.gz CUSSACWAEDNLIL-LYIWLLOFSA-N -1 3 221.264 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000904190375 584849022 /nfs/dbraw/zinc/84/90/22/584849022.db2.gz GICBRCGUIADFLQ-YUMQZZPRSA-N -1 3 221.264 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCC1(C)C ZINC000904190731 584849024 /nfs/dbraw/zinc/84/90/24/584849024.db2.gz JZXRDSVCJRLMAC-LURJTMIESA-N -1 3 209.253 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000904191218 584849110 /nfs/dbraw/zinc/84/91/10/584849110.db2.gz HWFPSZDZZGNIKR-DTWKUNHWSA-N -1 3 244.258 0.347 20 0 BCADHM CC[C@H]1CCC[C@H]1C(=O)[N-]c1nnnn1C ZINC000904191858 584849156 /nfs/dbraw/zinc/84/91/56/584849156.db2.gz QOKBWORZDRFDTN-JGVFFNPUSA-N -1 3 223.280 0.975 20 0 BCADHM C[C@H](CC(=O)[N-]c1nnnn1C)[C@H]1CCCO1 ZINC000904191369 584849325 /nfs/dbraw/zinc/84/93/25/584849325.db2.gz RKLLDGZUKQSYEM-HTQZYQBOSA-N -1 3 239.279 0.354 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1CC2(CC2(F)F)C1 ZINC000904191931 584849337 /nfs/dbraw/zinc/84/93/37/584849337.db2.gz SXDAEELSGVAMGR-UHFFFAOYSA-N -1 3 243.217 0.584 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000904192033 584849487 /nfs/dbraw/zinc/84/94/87/584849487.db2.gz XKDIFIVKVFZKHW-IUCAKERBSA-N -1 3 235.291 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1CC(C)(C)C1 ZINC000904194054 584849663 /nfs/dbraw/zinc/84/96/63/584849663.db2.gz RVCCUJDAWFBQAW-UHFFFAOYSA-N -1 3 209.253 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@@H]1CCC(F)(F)C1 ZINC000904193711 584849771 /nfs/dbraw/zinc/84/97/71/584849771.db2.gz LXAJBKVMFVVLPR-LURJTMIESA-N -1 3 245.233 0.974 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCCOC(C)(C)C ZINC000904194135 584849871 /nfs/dbraw/zinc/84/98/71/584849871.db2.gz VCIVNYASXVZMBO-UHFFFAOYSA-N -1 3 241.295 0.744 20 0 BCADHM CC[C@@H](C)[C@@H](OC)C(=O)[N-]c1nnnn1C ZINC000904193799 584849888 /nfs/dbraw/zinc/84/98/88/584849888.db2.gz OOTUJTCUIKJUTH-RNFRBKRXSA-N -1 3 227.268 0.210 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCC(C)(C)O1 ZINC000904193110 584849935 /nfs/dbraw/zinc/84/99/35/584849935.db2.gz ADUAILNHCWFUKA-LURJTMIESA-N -1 3 225.252 0.106 20 0 BCADHM C[C@@H](C(=O)[N-]c1nnnn1C)c1ccccc1 ZINC000904194486 584850005 /nfs/dbraw/zinc/85/00/05/584850005.db2.gz ABXXOHNLNYZHIV-MRVPVSSYSA-N -1 3 231.259 0.952 20 0 BCADHM CC(C)C[C@@H](C)C(=O)[N-]c1nnnn1C ZINC000904195866 584850061 /nfs/dbraw/zinc/85/00/61/584850061.db2.gz RPFVBXWTYGVTIW-SSDOTTSWSA-N -1 3 211.269 0.831 20 0 BCADHM C[C@@H]1CCC[C@H]1CC(=O)[N-]c1nnnn1C ZINC000904194919 584850069 /nfs/dbraw/zinc/85/00/69/584850069.db2.gz GZYNWRQYWYKROA-SFYZADRCSA-N -1 3 223.280 0.975 20 0 BCADHM C[C@@H]1CC[C@@H](CC(=O)[N-]c2nnnn2C)C1 ZINC000904194997 584850171 /nfs/dbraw/zinc/85/01/71/584850171.db2.gz PQPYKHJJLATHKG-HTQZYQBOSA-N -1 3 223.280 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CC12CCC2 ZINC000904194317 584850181 /nfs/dbraw/zinc/85/01/81/584850181.db2.gz BMYWITUIZKXFPU-ZCFIWIBFSA-N -1 3 207.237 0.339 20 0 BCADHM CC[C@@H]1C[C@H](C(=O)[N-]c2nnnn2C)CCO1 ZINC000904195877 584850326 /nfs/dbraw/zinc/85/03/26/584850326.db2.gz RZUDGJGNWJGTFY-HTQZYQBOSA-N -1 3 239.279 0.354 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CCCC1(C)C ZINC000904195122 584850340 /nfs/dbraw/zinc/85/03/40/584850340.db2.gz JSQZILMWIIBSAQ-SSDOTTSWSA-N -1 3 223.280 0.975 20 0 BCADHM COCCC[C@H](C)C(=O)[N-]c1nnnn1C ZINC000904196383 584850585 /nfs/dbraw/zinc/85/05/85/584850585.db2.gz YJZKTBYNWNGMOJ-ZETCQYMHSA-N -1 3 227.268 0.211 20 0 BCADHM CC[C@H](C)[C@@H](C)C(=O)[N-]c1nnnn1C ZINC000904196512 584850685 /nfs/dbraw/zinc/85/06/85/584850685.db2.gz ZQTHLTHLBWTIFP-NKWVEPMBSA-N -1 3 211.269 0.831 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCC(F)(F)F ZINC000904198502 584850753 /nfs/dbraw/zinc/85/07/53/584850753.db2.gz GDZGSFFZFIMHNS-UHFFFAOYSA-N -1 3 223.158 0.491 20 0 BCADHM C[C@H](C(=O)[N-]c1nnnn1C)C(F)(F)F ZINC000904199988 584850899 /nfs/dbraw/zinc/85/08/99/584850899.db2.gz URWQCWVEXVPRCX-GSVOUGTGSA-N -1 3 223.158 0.347 20 0 BCADHM Cn1nnnc1[N-]C(=O)CC[C@H]1CCCCO1 ZINC000904198534 584850934 /nfs/dbraw/zinc/85/09/34/584850934.db2.gz GXFJRIBVSZGSOS-MRVPVSSYSA-N -1 3 239.279 0.498 20 0 BCADHM CCCCO[C@@H](C)C(=O)[N-]c1nnnn1C ZINC000904199085 584850938 /nfs/dbraw/zinc/85/09/38/584850938.db2.gz FOCVZSNQIGWOKM-ZETCQYMHSA-N -1 3 227.268 0.354 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCn1cccc1 ZINC000904200016 584851012 /nfs/dbraw/zinc/85/10/12/584851012.db2.gz VRLRVZKPFPPIHH-UHFFFAOYSA-N -1 3 220.236 0.040 20 0 BCADHM C[C@@H]1CCC[C@@H](C(=O)[N-]c2nnnn2C)C1 ZINC000904198989 584851125 /nfs/dbraw/zinc/85/11/25/584851125.db2.gz MIWCMDMEARUMDU-HTQZYQBOSA-N -1 3 223.280 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1C(C)(C)C1(C)C ZINC000904198711 584851143 /nfs/dbraw/zinc/85/11/43/584851143.db2.gz JUAGDJWGDGWYKN-UHFFFAOYSA-N -1 3 223.280 0.831 20 0 BCADHM Cn1nnnc1[N-]C(=O)COC1CCCC1 ZINC000904200233 584851154 /nfs/dbraw/zinc/85/11/54/584851154.db2.gz RZVPKLONEZZGTM-UHFFFAOYSA-N -1 3 225.252 0.108 20 0 BCADHM C[C@@H](C(=O)[N-]c1nnnn1C)C(C)(C)C ZINC000904199412 584851287 /nfs/dbraw/zinc/85/12/87/584851287.db2.gz PWIZUBSRMMEYAK-LURJTMIESA-N -1 3 211.269 0.831 20 0 BCADHM CCCCSCC(=O)[N-]c1nnnn1C ZINC000904204876 584851984 /nfs/dbraw/zinc/85/19/84/584851984.db2.gz MCKOBFHOSJICHF-UHFFFAOYSA-N -1 3 229.309 0.682 20 0 BCADHM CCOC[C@H](O)CN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827387633 584898711 /nfs/dbraw/zinc/89/87/11/584898711.db2.gz FWRSGKRBDDUBPW-VHSXEESVSA-N -1 3 246.307 0.068 20 0 BCADHM COC[C@H](C)N1CCC(NC(=O)[O-])CC1 ZINC000828897955 584904669 /nfs/dbraw/zinc/90/46/69/584904669.db2.gz WCSUXNCLNRBIRA-QMMMGPOBSA-N -1 3 216.281 0.753 20 0 BCADHM CCN(CCNC(=O)[C@H](C)CC(=O)[O-])C1CC1 ZINC000829709522 584907779 /nfs/dbraw/zinc/90/77/79/584907779.db2.gz MKCKYYOKXBBYPU-SECBINFHSA-N -1 3 242.319 0.698 20 0 BCADHM CCOc1nc(NC(=O)CO[C@@H](C)CC)n[n-]1 ZINC000830400553 584908454 /nfs/dbraw/zinc/90/84/54/584908454.db2.gz ZWSYWSMLHJXDHS-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nnc(NC(=O)CO[C@@H](C)CC)[n-]1 ZINC000830400553 584908455 /nfs/dbraw/zinc/90/84/55/584908455.db2.gz ZWSYWSMLHJXDHS-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1n[n-]c(NC(=O)CO[C@@H](C)CC)n1 ZINC000830400553 584908456 /nfs/dbraw/zinc/90/84/56/584908456.db2.gz ZWSYWSMLHJXDHS-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM C[C@@H]1CN(Cc2ccc(CO)o2)C[C@H]1C(=O)[O-] ZINC000833630007 584912939 /nfs/dbraw/zinc/91/29/39/584912939.db2.gz OGHNCRSQLARRMN-LDYMZIIASA-N -1 3 239.271 0.924 20 0 BCADHM C[C@@H]1COCC[C@@H]1C(=O)[N-]OCC(C)(C)O ZINC000834621983 584914196 /nfs/dbraw/zinc/91/41/96/584914196.db2.gz NXPPMVQQELBSOP-BDAKNGLRSA-N -1 3 231.292 0.478 20 0 BCADHM O=C([N-]C1=NCCS1)[C@H](O)c1cccnc1 ZINC000731868043 584930534 /nfs/dbraw/zinc/93/05/34/584930534.db2.gz JNJNBYOMOTVUKB-MRVPVSSYSA-N -1 3 237.284 0.334 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)OCC1CCCC1 ZINC000732355127 584936056 /nfs/dbraw/zinc/93/60/56/584936056.db2.gz DOHFGMQQQHMRMO-UHFFFAOYSA-N -1 3 240.259 0.272 20 0 BCADHM CC(=O)[C@H](C)OC(=O)c1cncc([O-])c1 ZINC000732392132 584936433 /nfs/dbraw/zinc/93/64/33/584936433.db2.gz BEKCCPCVQXLKLS-ZETCQYMHSA-N -1 3 209.201 0.922 20 0 BCADHM O=C(COC(=O)c1cncc([O-])c1)C1CC1 ZINC000732391236 584936563 /nfs/dbraw/zinc/93/65/63/584936563.db2.gz GGQCJKJUQLWJBL-UHFFFAOYSA-N -1 3 221.212 0.923 20 0 BCADHM COC(=O)[C@H](C)OC(=O)c1cncc([O-])c1 ZINC000732395016 584936621 /nfs/dbraw/zinc/93/66/21/584936621.db2.gz ZOGGXHILLDKIDN-LURJTMIESA-N -1 3 225.200 0.506 20 0 BCADHM CC(C)[C@H](OC(=O)c1cncc([O-])c1)C(N)=O ZINC000732394456 584936741 /nfs/dbraw/zinc/93/67/41/584936741.db2.gz MLOWDEWHQMRNPD-VIFPVBQESA-N -1 3 238.243 0.454 20 0 BCADHM CCOC(=O)[C@@H](C)OC(=O)c1cncc([O-])c1 ZINC000732392654 584936794 /nfs/dbraw/zinc/93/67/94/584936794.db2.gz ZWYXRHNFBRLFJY-SSDOTTSWSA-N -1 3 239.227 0.896 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CCOCC1CC1 ZINC000836892505 584937311 /nfs/dbraw/zinc/93/73/11/584937311.db2.gz RGNCOYKBPDGNTH-NSHDSACASA-N -1 3 245.319 0.868 20 0 BCADHM CCOC[C@H](O)CN1CCC[C@H](NC(=O)[O-])C1 ZINC000737876124 584937485 /nfs/dbraw/zinc/93/74/85/584937485.db2.gz FDDAPMMRRFFRKK-VHSXEESVSA-N -1 3 246.307 0.116 20 0 BCADHM COc1ccc(CC(=O)[N-]OCCO)cc1 ZINC000732527470 584938362 /nfs/dbraw/zinc/93/83/62/584938362.db2.gz XBQQCRATFQZOJF-UHFFFAOYSA-N -1 3 225.244 0.278 20 0 BCADHM CC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735458865 584977479 /nfs/dbraw/zinc/97/74/79/584977479.db2.gz SHTRBOYAWJPRPA-UHFFFAOYSA-N -1 3 247.214 0.008 20 0 BCADHM CC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735458865 584977480 /nfs/dbraw/zinc/97/74/80/584977480.db2.gz SHTRBOYAWJPRPA-UHFFFAOYSA-N -1 3 247.214 0.008 20 0 BCADHM C/C=C/COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736305537 584996453 /nfs/dbraw/zinc/99/64/53/584996453.db2.gz VBHJMSUQBZSLJB-NSCUHMNNSA-N -1 3 245.242 0.995 20 0 BCADHM C/C=C/COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736305537 584996454 /nfs/dbraw/zinc/99/64/54/584996454.db2.gz VBHJMSUQBZSLJB-NSCUHMNNSA-N -1 3 245.242 0.995 20 0 BCADHM C/C=C\COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736305536 584996535 /nfs/dbraw/zinc/99/65/35/584996535.db2.gz VBHJMSUQBZSLJB-IHWYPQMZSA-N -1 3 245.242 0.995 20 0 BCADHM C/C=C\COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736305536 584996536 /nfs/dbraw/zinc/99/65/36/584996536.db2.gz VBHJMSUQBZSLJB-IHWYPQMZSA-N -1 3 245.242 0.995 20 0 BCADHM CC(C)[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N(C)C ZINC000736346845 584998352 /nfs/dbraw/zinc/99/83/52/584998352.db2.gz AEJHYBKMUJTCPM-ZJUUUORDSA-N -1 3 242.319 0.506 20 0 BCADHM CC(C)[C@@H](CN(C)C)NC(=O)CCNC(=O)[O-] ZINC000736354349 584998691 /nfs/dbraw/zinc/99/86/91/584998691.db2.gz XDUFTQUXDUYTBZ-SECBINFHSA-N -1 3 245.323 0.347 20 0 BCADHM C=C/C=C/CCNC(=O)[N-]c1nnnn1CC ZINC000888319714 584999524 /nfs/dbraw/zinc/99/95/24/584999524.db2.gz KVNOMGBCVOJJGQ-AATRIKPKSA-N -1 3 236.279 0.369 20 0 BCADHM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1CCCN1C ZINC000736462782 585003493 /nfs/dbraw/zinc/00/34/93/585003493.db2.gz CERRVQWIXITJDM-JTQLQIEISA-N -1 3 242.319 0.792 20 0 BCADHM CC(C)NC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000736477076 585003748 /nfs/dbraw/zinc/00/37/48/585003748.db2.gz DJYUXWMKNGLZPK-SECBINFHSA-N -1 3 242.319 0.696 20 0 BCADHM C[C@@H](CN(C)CC(=O)N(C)CC1CC1)C(=O)[O-] ZINC000736572789 585006306 /nfs/dbraw/zinc/00/63/06/585006306.db2.gz RQKYXNFGJUQJMO-VIFPVBQESA-N -1 3 242.319 0.507 20 0 BCADHM CC(C)[C@@H](C(=O)NC[C@@H](C)C(=O)[O-])N(C)C ZINC000736593020 585006623 /nfs/dbraw/zinc/00/66/23/585006623.db2.gz MCJSTUHZMCQYHD-BDAKNGLRSA-N -1 3 230.308 0.410 20 0 BCADHM C[C@@H](CNC(=O)CCNC(=O)[O-])N1CCCC1 ZINC000736596159 585007006 /nfs/dbraw/zinc/00/70/06/585007006.db2.gz YFCMTTSDMVQKOU-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM C[C@H](O)CN1CCN(CCCC(=O)[O-])C[C@H]1C ZINC000736676536 585009264 /nfs/dbraw/zinc/00/92/64/585009264.db2.gz IWZHMPRNRHZHDO-MNOVXSKESA-N -1 3 244.335 0.238 20 0 BCADHM CC1(C)[C@@H]2CN(CC(=O)NCCC(=O)[O-])C[C@@H]21 ZINC000736726558 585010722 /nfs/dbraw/zinc/01/07/22/585010722.db2.gz NKFOGCSOCPXWFE-DTORHVGOSA-N -1 3 240.303 0.165 20 0 BCADHM CC1(C)CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC000736732952 585010866 /nfs/dbraw/zinc/01/08/66/585010866.db2.gz VIBXCLBFWUDKEQ-UHFFFAOYSA-N -1 3 242.319 0.699 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)CCNC(=O)[O-])CCN1C ZINC000736762804 585011559 /nfs/dbraw/zinc/01/15/59/585011559.db2.gz SDRRQNMILPLFIH-RKDXNWHRSA-N -1 3 243.307 0.243 20 0 BCADHM CCn1nnnc1[N-]C(=O)NC(C)(C)C1CC1 ZINC000888331624 585012215 /nfs/dbraw/zinc/01/22/15/585012215.db2.gz SOOOOKDICNECRV-UHFFFAOYSA-N -1 3 238.295 0.425 20 0 BCADHM C[C@@H]1CCCCCN1CC(=O)NCC(=O)[O-] ZINC000736783248 585014252 /nfs/dbraw/zinc/01/42/52/585014252.db2.gz FYGAYOCJSIAWFW-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM C[C@@H]1CCN(CC(=O)NCCCC(=O)[O-])C1 ZINC000736798021 585015186 /nfs/dbraw/zinc/01/51/86/585015186.db2.gz PWFUJUYGYONUCQ-SECBINFHSA-N -1 3 228.292 0.309 20 0 BCADHM CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736878269 585018589 /nfs/dbraw/zinc/01/85/89/585018589.db2.gz BXAWYYVLZJKXTP-UHFFFAOYSA-N -1 3 249.299 0.705 20 0 BCADHM CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736878269 585018590 /nfs/dbraw/zinc/01/85/90/585018590.db2.gz BXAWYYVLZJKXTP-UHFFFAOYSA-N -1 3 249.299 0.705 20 0 BCADHM CC[C@@H](C)CN(C)[C@H](C)C(=O)NCC(=O)[O-] ZINC000736881278 585018831 /nfs/dbraw/zinc/01/88/31/585018831.db2.gz YBEBNZZGPZITKJ-RKDXNWHRSA-N -1 3 230.308 0.554 20 0 BCADHM CC[C@H]1CN(CCC(=O)[O-])CCN1C[C@@H](C)O ZINC000736945379 585019592 /nfs/dbraw/zinc/01/95/92/585019592.db2.gz WPFCSSYTWBKSCE-MNOVXSKESA-N -1 3 244.335 0.238 20 0 BCADHM CC[C@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC000736940729 585019676 /nfs/dbraw/zinc/01/96/76/585019676.db2.gz HITONUHVCVYIJK-JTQLQIEISA-N -1 3 242.319 0.842 20 0 BCADHM CC[C@H]1CCCN1CC(=O)NCCC(=O)[O-] ZINC000736941665 585019867 /nfs/dbraw/zinc/01/98/67/585019867.db2.gz ZZAOFNLIPLJPOK-VIFPVBQESA-N -1 3 228.292 0.452 20 0 BCADHM CO[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736957237 585020419 /nfs/dbraw/zinc/02/04/19/585020419.db2.gz GNMXHLMUHFIHKI-LURJTMIESA-N -1 3 248.246 0.235 20 0 BCADHM CO[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736957237 585020420 /nfs/dbraw/zinc/02/04/20/585020420.db2.gz GNMXHLMUHFIHKI-LURJTMIESA-N -1 3 248.246 0.235 20 0 BCADHM CCN(C)C(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000737068348 585024620 /nfs/dbraw/zinc/02/46/20/585024620.db2.gz XQQWSRZRABCJCJ-VIFPVBQESA-N -1 3 242.319 0.650 20 0 BCADHM CCN1CCC[C@H]1CNC(=O)CCNC(=O)[O-] ZINC000737113183 585025959 /nfs/dbraw/zinc/02/59/59/585025959.db2.gz BOTFSOONGIYVGT-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM CCOCCN1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000737176604 585026840 /nfs/dbraw/zinc/02/68/40/585026840.db2.gz GVUOKMFKUAOUPG-NSHDSACASA-N -1 3 244.335 0.504 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)C(F)=C1CCC1 ZINC000823849409 585028371 /nfs/dbraw/zinc/02/83/71/585028371.db2.gz WVLHICWXJSQOGJ-UHFFFAOYSA-N -1 3 239.210 0.250 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)C(F)=C1CCC1 ZINC000823849409 585028372 /nfs/dbraw/zinc/02/83/72/585028372.db2.gz WVLHICWXJSQOGJ-UHFFFAOYSA-N -1 3 239.210 0.250 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)C(F)=C1CCC1 ZINC000823849409 585028373 /nfs/dbraw/zinc/02/83/73/585028373.db2.gz WVLHICWXJSQOGJ-UHFFFAOYSA-N -1 3 239.210 0.250 20 0 BCADHM CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[O-] ZINC000737348704 585030647 /nfs/dbraw/zinc/03/06/47/585030647.db2.gz UJEYXYDLIQLQON-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CN1CCC(NC(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000737515373 585034469 /nfs/dbraw/zinc/03/44/69/585034469.db2.gz SQPWSNGPQRPEQA-UHFFFAOYSA-N -1 3 243.307 0.243 20 0 BCADHM CN(C[C@H]1CCCN(C)C1)C(=O)CNC(=O)[O-] ZINC000737516019 585034608 /nfs/dbraw/zinc/03/46/08/585034608.db2.gz YQRXPTJCVZSFPZ-VIFPVBQESA-N -1 3 243.307 0.054 20 0 BCADHM CN(C(=O)CCNC(=O)[O-])C1CCN(C)CC1 ZINC000737514963 585034621 /nfs/dbraw/zinc/03/46/21/585034621.db2.gz OJBFCGYLUFECEC-UHFFFAOYSA-N -1 3 243.307 0.197 20 0 BCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCC1 ZINC000738261237 585042148 /nfs/dbraw/zinc/04/21/48/585042148.db2.gz LDYPBGMWSZTXCC-UHFFFAOYSA-N -1 3 244.258 0.498 20 0 BCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCC1 ZINC000738261237 585042149 /nfs/dbraw/zinc/04/21/49/585042149.db2.gz LDYPBGMWSZTXCC-UHFFFAOYSA-N -1 3 244.258 0.498 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)OCCCO ZINC000838142149 585047329 /nfs/dbraw/zinc/04/73/29/585047329.db2.gz VWJQTERMXCKINB-UHFFFAOYSA-N -1 3 228.219 0.999 20 0 BCADHM COC[C@@H](C)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000788116657 585069635 /nfs/dbraw/zinc/06/96/35/585069635.db2.gz QVOXSKVDOMQBKA-UWVGGRQHSA-N -1 3 231.292 0.743 20 0 BCADHM Cc1nc([N-]C(=O)c2cnsn2)n[nH]1 ZINC000103257104 585081866 /nfs/dbraw/zinc/08/18/66/585081866.db2.gz LABJDBXUFWPPMP-UHFFFAOYSA-N -1 3 210.222 0.217 20 0 BCADHM CC/C(C)=C(/C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000839356714 585102021 /nfs/dbraw/zinc/10/20/21/585102021.db2.gz QPVQAGKCYBAVGO-WAYWQWQTSA-N -1 3 237.263 0.589 20 0 BCADHM CCC(C)=C(C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000839356714 585102022 /nfs/dbraw/zinc/10/20/22/585102022.db2.gz QPVQAGKCYBAVGO-WAYWQWQTSA-N -1 3 237.263 0.589 20 0 BCADHM CCC(C)=C(C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000839356714 585102023 /nfs/dbraw/zinc/10/20/23/585102023.db2.gz QPVQAGKCYBAVGO-WAYWQWQTSA-N -1 3 237.263 0.589 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CSC(=O)N1 ZINC000740749456 585106378 /nfs/dbraw/zinc/10/63/78/585106378.db2.gz ZMZMEJUSEKGAMD-RXMQYKEDSA-N -1 3 239.256 0.551 20 0 BCADHM O=C(C[C@@H]1CCCO1)NCc1cncc([O-])c1 ZINC000886281964 585117350 /nfs/dbraw/zinc/11/73/50/585117350.db2.gz QYVJWZYYIMJHNH-NSHDSACASA-N -1 3 236.271 0.973 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCn2ccnc2C1 ZINC000747648889 585181610 /nfs/dbraw/zinc/18/16/10/585181610.db2.gz NRBYXAVSVJBHCI-MRVPVSSYSA-N -1 3 209.249 0.513 20 0 BCADHM CC(=O)[N-]OCC(=O)NCC1CCCCC1 ZINC000747858372 585184933 /nfs/dbraw/zinc/18/49/33/585184933.db2.gz HRGMXAWDASVAPO-UHFFFAOYSA-N -1 3 228.292 0.751 20 0 BCADHM CCC[C@H](C)OC(=O)CN1CC(=O)[N-]C1=O ZINC000748122065 585187659 /nfs/dbraw/zinc/18/76/59/585187659.db2.gz KRYIIZQBIIIADS-ZETCQYMHSA-N -1 3 228.248 0.270 20 0 BCADHM COCCO[N-]C(=O)[C@H](C)N1CCCCCC1 ZINC000748772307 585195705 /nfs/dbraw/zinc/19/57/05/585195705.db2.gz BPFOONPICCEAFL-NSHDSACASA-N -1 3 244.335 0.945 20 0 BCADHM COCCON=C([O-])Nc1cc(C)nn1C ZINC000749016459 585198289 /nfs/dbraw/zinc/19/82/89/585198289.db2.gz GSROENPAUGYMJM-UHFFFAOYSA-N -1 3 228.252 0.428 20 0 BCADHM COCCO[N-]C(=O)Nc1cc(C)nn1C ZINC000749016459 585198290 /nfs/dbraw/zinc/19/82/90/585198290.db2.gz GSROENPAUGYMJM-UHFFFAOYSA-N -1 3 228.252 0.428 20 0 BCADHM COCCO[N-]C(=O)[C@H]1CCn2ccnc2C1 ZINC000749257652 585200830 /nfs/dbraw/zinc/20/08/30/585200830.db2.gz KVVHGHRHXRANLA-VIFPVBQESA-N -1 3 239.275 0.140 20 0 BCADHM O=C([N-]O[C@@H]1CCCCO1)c1cnns1 ZINC000749376105 585201747 /nfs/dbraw/zinc/20/17/47/585201747.db2.gz ZYTUTVUUBQYMMG-SSDOTTSWSA-N -1 3 229.261 0.726 20 0 BCADHM O=C([N-]O[C@H]1CCCCO1)c1cnns1 ZINC000749376106 585201803 /nfs/dbraw/zinc/20/18/03/585201803.db2.gz ZYTUTVUUBQYMMG-ZETCQYMHSA-N -1 3 229.261 0.726 20 0 BCADHM C[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)N(C)C ZINC000750021576 585209743 /nfs/dbraw/zinc/20/97/43/585209743.db2.gz JOSGILSAFHCWGP-DTWKUNHWSA-N -1 3 216.281 0.511 20 0 BCADHM O=C(O[C@@H]1CCNC1=O)c1ccc(F)cc1[O-] ZINC000750171382 585211901 /nfs/dbraw/zinc/21/19/01/585211901.db2.gz YUPCJHKGGOCTRC-SECBINFHSA-N -1 3 239.202 0.577 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]OCCOC ZINC000750380356 585213775 /nfs/dbraw/zinc/21/37/75/585213775.db2.gz PAFRKWBWPYDLKW-MRVPVSSYSA-N -1 3 205.254 0.232 20 0 BCADHM CC(C)(C)CCOC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000751565434 585232767 /nfs/dbraw/zinc/23/27/67/585232767.db2.gz BPVLEMMYMKLIRU-ZETCQYMHSA-N -1 3 242.275 0.564 20 0 BCADHM O=C([N-]Cc1cc[nH]n1)C(F)(F)C1(O)CCC1 ZINC000752959967 585251831 /nfs/dbraw/zinc/25/18/31/585251831.db2.gz YCFKQXOOIUCHLX-UHFFFAOYSA-N -1 3 245.229 0.576 20 0 BCADHM COCCCO[N-]C(=O)CC1CCOCC1 ZINC000805040417 585257589 /nfs/dbraw/zinc/25/75/89/585257589.db2.gz VRONINCCMAIISS-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM COCCCO[N-]C(=O)CCc1nc(C)no1 ZINC000805041073 585257728 /nfs/dbraw/zinc/25/77/28/585257728.db2.gz MJCAQJMZDYHINN-UHFFFAOYSA-N -1 3 243.263 0.395 20 0 BCADHM Cc1ccc([O-])c(NC(=O)c2cc[n+]([O-])cc2)n1 ZINC000753469630 585259360 /nfs/dbraw/zinc/25/93/60/585259360.db2.gz KQNWMCLVRDYPKQ-UHFFFAOYSA-N -1 3 245.238 0.981 20 0 BCADHM COCCCO[N-]C(=O)C[C@@H]1CCOC1 ZINC000805044868 585263737 /nfs/dbraw/zinc/26/37/37/585263737.db2.gz CWGLEFRJNSHLQY-VIFPVBQESA-N -1 3 217.265 0.497 20 0 BCADHM CCNC(=O)c1cc2n[n-]nc2cc1F ZINC000753790017 585269166 /nfs/dbraw/zinc/26/91/66/585269166.db2.gz LACDSPCFSSGWFO-UHFFFAOYSA-N -1 3 208.196 0.847 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1cc2n[nH]nc2cc1F ZINC000753990121 585274445 /nfs/dbraw/zinc/27/44/45/585274445.db2.gz OXMBFRSNCCGKJV-UHFFFAOYSA-N -1 3 247.193 0.467 20 0 BCADHM Cn1[n-]c(CN2CCC3(CCCC3)C2)nc1=O ZINC000754049104 585276346 /nfs/dbraw/zinc/27/63/46/585276346.db2.gz HDROPEBXDYIGTB-UHFFFAOYSA-N -1 3 236.319 0.875 20 0 BCADHM CO[N-]C(=O)Cc1ccc(C(N)=O)cc1 ZINC000754179494 585280000 /nfs/dbraw/zinc/28/00/00/585280000.db2.gz XPDYJQNPDUMNIC-UHFFFAOYSA-N -1 3 208.217 0.006 20 0 BCADHM CCC(CC)OC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000754779460 585290639 /nfs/dbraw/zinc/29/06/39/585290639.db2.gz YTBCWZYMFOHTQH-QMMMGPOBSA-N -1 3 242.275 0.706 20 0 BCADHM C[C@]1(C(=O)[N-]C2=NCCS2)CCCO1 ZINC000755067122 585294284 /nfs/dbraw/zinc/29/42/84/585294284.db2.gz YPDOCBYZKCCKIX-SECBINFHSA-N -1 3 214.290 0.775 20 0 BCADHM COC(=O)c1cnc(C(=O)[N-]c2ccon2)cn1 ZINC000755770452 585306624 /nfs/dbraw/zinc/30/66/24/585306624.db2.gz NTAQDVLIENHISG-UHFFFAOYSA-N -1 3 248.198 0.504 20 0 BCADHM C[C@H](O)C[N-]C(=O)C(F)(F)c1nccs1 ZINC000756530526 585320619 /nfs/dbraw/zinc/32/06/19/585320619.db2.gz NUFSHDHFMIOJBG-YFKPBYRVSA-N -1 3 236.243 0.732 20 0 BCADHM CC(C)[C@@H](C(=O)[N-]OCC(C)(C)O)N(C)C ZINC000839739253 585339438 /nfs/dbraw/zinc/33/94/38/585339438.db2.gz OOKVPCSZRXQKNW-VIFPVBQESA-N -1 3 232.324 0.391 20 0 BCADHM COC[C@H](C)CC(=O)[N-]OCC(C)(C)O ZINC000839739302 585339682 /nfs/dbraw/zinc/33/96/82/585339682.db2.gz PNPCOHQEFSEGCN-MRVPVSSYSA-N -1 3 219.281 0.478 20 0 BCADHM CCOC(=O)[C@H](CC)C(=O)[N-]OCCN(C)C ZINC000839781384 585341630 /nfs/dbraw/zinc/34/16/30/585341630.db2.gz NZTHOQRUKALVRC-SECBINFHSA-N -1 3 246.307 0.185 20 0 BCADHM CNC(=O)COC(=O)c1ccc([O-])cc1C ZINC000758543892 585356888 /nfs/dbraw/zinc/35/68/88/585356888.db2.gz BMVXRCNFLAZFFB-UHFFFAOYSA-N -1 3 223.228 0.603 20 0 BCADHM Cc1[n-]ncc1S(=O)(=O)Oc1cccnc1 ZINC000758550550 585357344 /nfs/dbraw/zinc/35/73/44/585357344.db2.gz SSMXRRQXKCWQRF-UHFFFAOYSA-N -1 3 239.256 0.881 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OCC(F)F ZINC000759351867 585370985 /nfs/dbraw/zinc/37/09/85/585370985.db2.gz PPIOATOSWSGSJD-CRCLSJGQSA-N -1 3 223.175 0.108 20 0 BCADHM Cn1cc(C(=O)[N-]OCC(F)F)ccc1=O ZINC000759351343 585371020 /nfs/dbraw/zinc/37/10/20/585371020.db2.gz LAJGVNXENRCLIY-UHFFFAOYSA-N -1 3 232.186 0.312 20 0 BCADHM O=C(CCCCc1c[nH]nn1)[N-]OCC(F)F ZINC000760147233 585386074 /nfs/dbraw/zinc/38/60/74/585386074.db2.gz MCDVBTTZHZGXPE-UHFFFAOYSA-N -1 3 248.233 0.830 20 0 BCADHM O=C(CCCCc1cn[nH]n1)[N-]OCC(F)F ZINC000760147233 585386075 /nfs/dbraw/zinc/38/60/75/585386075.db2.gz MCDVBTTZHZGXPE-UHFFFAOYSA-N -1 3 248.233 0.830 20 0 BCADHM Cn1ncc(C[N-]C(=O)C(C)(Cl)Cl)n1 ZINC000805215663 585402670 /nfs/dbraw/zinc/40/26/70/585402670.db2.gz UYVZQZPOJUIDES-UHFFFAOYSA-N -1 3 237.090 0.625 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)c1ccc[nH]1 ZINC000760957930 585402735 /nfs/dbraw/zinc/40/27/35/585402735.db2.gz LHMSMAJEYYGROD-LURJTMIESA-N -1 3 205.221 0.624 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)c1ccc[nH]1 ZINC000760957930 585402736 /nfs/dbraw/zinc/40/27/36/585402736.db2.gz LHMSMAJEYYGROD-LURJTMIESA-N -1 3 205.221 0.624 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1ccc[nH]1 ZINC000760957930 585402737 /nfs/dbraw/zinc/40/27/37/585402737.db2.gz LHMSMAJEYYGROD-LURJTMIESA-N -1 3 205.221 0.624 20 0 BCADHM O=C([N-]c1nc(C2CC2)no1)c1cncnc1 ZINC000761073840 585405455 /nfs/dbraw/zinc/40/54/55/585405455.db2.gz PJOXYEINEIHKHD-UHFFFAOYSA-N -1 3 231.215 0.989 20 0 BCADHM CCn1c(=O)[n-]nc1SCC(=O)CCOC ZINC000761862240 585420863 /nfs/dbraw/zinc/42/08/63/585420863.db2.gz RSQMMTPXKJHZJL-UHFFFAOYSA-N -1 3 245.304 0.701 20 0 BCADHM CC[C@@H](O[N-]C(=O)C(C)(C)C)C(N)=O ZINC000763425853 585448471 /nfs/dbraw/zinc/44/84/71/585448471.db2.gz HVMZLIZLSBAGKK-ZCFIWIBFSA-N -1 3 202.254 0.344 20 0 BCADHM COCCO[N-]C(=O)CCC(=O)OC(C)(C)C ZINC000765000781 585479116 /nfs/dbraw/zinc/47/91/16/585479116.db2.gz GINUFKUOTOTJQZ-UHFFFAOYSA-N -1 3 247.291 0.803 20 0 BCADHM O=C([N-]c1ccncc1F)c1ncccn1 ZINC000765181960 585482351 /nfs/dbraw/zinc/48/23/51/585482351.db2.gz APTQIOMTISSOSW-UHFFFAOYSA-N -1 3 218.191 0.685 20 0 BCADHM Cc1nonc1C(=O)[N-]c1ccnc(CO)c1 ZINC000765302042 585483725 /nfs/dbraw/zinc/48/37/25/585483725.db2.gz KXADPOJSFGVXFQ-UHFFFAOYSA-N -1 3 234.215 0.518 20 0 BCADHM CC(C)OC(=O)CNC(=O)c1csc(=O)[n-]1 ZINC000769703008 585562142 /nfs/dbraw/zinc/56/21/42/585562142.db2.gz BMEMSPOVXXDGMQ-UHFFFAOYSA-N -1 3 244.272 0.530 20 0 BCADHM Cc1ncsc1C(=O)[N-]c1nnn(C)n1 ZINC000770024839 585569655 /nfs/dbraw/zinc/56/96/55/585569655.db2.gz WVXGXRFKJKNZFU-UHFFFAOYSA-N -1 3 224.249 0.227 20 0 BCADHM CCO[N-]C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000770548703 585576104 /nfs/dbraw/zinc/57/61/04/585576104.db2.gz GCOQMPBGKBJUHJ-SNVBAGLBSA-N -1 3 214.265 0.503 20 0 BCADHM CCOCCO[N-]C(=O)CCCn1ccnc1 ZINC000772691717 585621052 /nfs/dbraw/zinc/62/10/52/585621052.db2.gz LIIYIZPTOVWHPZ-UHFFFAOYSA-N -1 3 241.291 0.748 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]OC1CCOCC1 ZINC000772711267 585621866 /nfs/dbraw/zinc/62/18/66/585621866.db2.gz PCIGDNAHWMJMQY-MRVPVSSYSA-N -1 3 245.275 0.412 20 0 BCADHM CSCCC(=O)[N-]OC1CCOCC1 ZINC000772719589 585622068 /nfs/dbraw/zinc/62/20/68/585622068.db2.gz UXAFZOJYGVUQRN-UHFFFAOYSA-N -1 3 219.306 0.966 20 0 BCADHM C/C(=C/C(=O)[N-]OCC(N)=O)C(C)(C)C ZINC000772932601 585627895 /nfs/dbraw/zinc/62/78/95/585627895.db2.gz JDRPUMFKMVKWGS-ALCCZGGFSA-N -1 3 214.265 0.512 20 0 BCADHM CON(C)CCNC(=O)c1ccc(C)cc1[O-] ZINC000773166708 585633034 /nfs/dbraw/zinc/63/30/34/585633034.db2.gz WIRGZEBDNIQULC-UHFFFAOYSA-N -1 3 238.287 0.924 20 0 BCADHM CN1CCC(O[N-]C(=O)C2(O)CCCC2)CC1 ZINC000773549735 585640231 /nfs/dbraw/zinc/64/02/31/585640231.db2.gz LXDPYCYVDWMGOX-UHFFFAOYSA-N -1 3 242.319 0.434 20 0 BCADHM CN1CCC(O[N-]C(=O)Cc2cc[nH]n2)CC1 ZINC000773552056 585640401 /nfs/dbraw/zinc/64/04/01/585640401.db2.gz YTFWUUZULBGKHY-UHFFFAOYSA-N -1 3 238.291 0.094 20 0 BCADHM CCOCCO[N-]C(=O)C[C@](C)(O)C1CC1 ZINC000775233428 585673550 /nfs/dbraw/zinc/67/35/50/585673550.db2.gz ICBUSDRBOSUWPR-NSHDSACASA-N -1 3 231.292 0.622 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@@H]1CCCOC1 ZINC000805545224 585678334 /nfs/dbraw/zinc/67/83/34/585678334.db2.gz JGDLOBUHCHGEJV-MRVPVSSYSA-N -1 3 225.248 0.697 20 0 BCADHM CCCNC(=O)[C@@H](C)OC(=O)c1n[n-]nc1C ZINC000805545955 585678809 /nfs/dbraw/zinc/67/88/09/585678809.db2.gz HTNNXCTWFITAPD-SSDOTTSWSA-N -1 3 240.263 0.185 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@@H]1CCCO1 ZINC000805546438 585679131 /nfs/dbraw/zinc/67/91/31/585679131.db2.gz MXRFULJFRUEMJX-ZETCQYMHSA-N -1 3 211.221 0.449 20 0 BCADHM CCOC(=O)[C@@H](C)OC(=O)c1n[n-]nc1C ZINC000805546283 585679230 /nfs/dbraw/zinc/67/92/30/585679230.db2.gz LIDYABCPSNBFNQ-ZCFIWIBFSA-N -1 3 227.220 0.222 20 0 BCADHM CC(C)C[C@H](C)OC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000775535305 585679251 /nfs/dbraw/zinc/67/92/51/585679251.db2.gz NOUDIWAYDNETMK-YUMQZZPRSA-N -1 3 242.275 0.562 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1ccc(CO)cc1 ZINC000805546838 585679422 /nfs/dbraw/zinc/67/94/22/585679422.db2.gz OCOMSNLXYZQUBY-UHFFFAOYSA-N -1 3 247.254 0.962 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@@H]1CC[C@H](C)O1 ZINC000805547912 585681499 /nfs/dbraw/zinc/68/14/99/585681499.db2.gz LKSWJZWIWBYEOZ-XPUUQOCRSA-N -1 3 225.248 0.837 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@H]1CCCCO1 ZINC000805547974 585681555 /nfs/dbraw/zinc/68/15/55/585681555.db2.gz YOSSIFXYWKJKNB-MRVPVSSYSA-N -1 3 225.248 0.839 20 0 BCADHM O=C(CCCc1ccccn1)[N-]OCCO ZINC000776584214 585701483 /nfs/dbraw/zinc/70/14/83/585701483.db2.gz HUKXJLDYBATXCA-UHFFFAOYSA-N -1 3 224.260 0.444 20 0 BCADHM O=C(CC[C@H]1CCCCO1)[N-]OCCO ZINC000776583533 585701654 /nfs/dbraw/zinc/70/16/54/585701654.db2.gz IZCWMHHUCUJZRA-SECBINFHSA-N -1 3 217.265 0.376 20 0 BCADHM O=C(CCC(=O)c1ccccc1)[N-]OCCO ZINC000776585536 585701744 /nfs/dbraw/zinc/70/17/44/585701744.db2.gz ZKUWRTOMXDPURJ-UHFFFAOYSA-N -1 3 237.255 0.690 20 0 BCADHM Cc1ccc([O-])c(C(=O)NN2CN=NC2=O)c1 ZINC000777768369 585719951 /nfs/dbraw/zinc/71/99/51/585719951.db2.gz LTIQCEDWJUVXDH-UHFFFAOYSA-N -1 3 234.215 0.382 20 0 BCADHM O=C([N-]n1ccccc1=O)c1ccncc1 ZINC000777786369 585720041 /nfs/dbraw/zinc/72/00/41/585720041.db2.gz LOGMEEIGULLALE-UHFFFAOYSA-N -1 3 215.212 0.627 20 0 BCADHM O=C(OCC[C@@H]1CCCO1)c1cnn[n-]1 ZINC000805603443 585728312 /nfs/dbraw/zinc/72/83/12/585728312.db2.gz MTTCHYDYUUSZHT-ZETCQYMHSA-N -1 3 211.221 0.531 20 0 BCADHM O=C(OCC[C@@H]1CCCO1)c1c[n-]nn1 ZINC000805603443 585728313 /nfs/dbraw/zinc/72/83/13/585728313.db2.gz MTTCHYDYUUSZHT-ZETCQYMHSA-N -1 3 211.221 0.531 20 0 BCADHM COC(=O)/C(C)=C\COC(=O)c1cnn[n-]1 ZINC000805603689 585729234 /nfs/dbraw/zinc/72/92/34/585729234.db2.gz SFZPWFOALXRVOM-UTCJRWHESA-N -1 3 225.204 0.081 20 0 BCADHM COC(=O)/C(C)=C\COC(=O)c1c[n-]nn1 ZINC000805603689 585729235 /nfs/dbraw/zinc/72/92/35/585729235.db2.gz SFZPWFOALXRVOM-UTCJRWHESA-N -1 3 225.204 0.081 20 0 BCADHM COc1cccc(COC(=O)c2cnn[n-]2)n1 ZINC000805603695 585729725 /nfs/dbraw/zinc/72/97/25/585729725.db2.gz NGWFLXNVTODMJN-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM COc1cccc(COC(=O)c2c[n-]nn2)n1 ZINC000805603695 585729726 /nfs/dbraw/zinc/72/97/26/585729726.db2.gz NGWFLXNVTODMJN-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM Cc1noc([C@@H](C)OC(=O)c2cnn[n-]2)n1 ZINC000805605726 585732161 /nfs/dbraw/zinc/73/21/61/585732161.db2.gz NJFXUMDVGSKVFS-SCSAIBSYSA-N -1 3 223.192 0.414 20 0 BCADHM Cc1noc([C@@H](C)OC(=O)c2c[n-]nn2)n1 ZINC000805605726 585732162 /nfs/dbraw/zinc/73/21/62/585732162.db2.gz NJFXUMDVGSKVFS-SCSAIBSYSA-N -1 3 223.192 0.414 20 0 BCADHM COc1ncccc1COC(=O)c1cnn[n-]1 ZINC000805606300 585732880 /nfs/dbraw/zinc/73/28/80/585732880.db2.gz VVHXEWCQOGNNSZ-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM COc1ncccc1COC(=O)c1c[n-]nn1 ZINC000805606300 585732881 /nfs/dbraw/zinc/73/28/81/585732881.db2.gz VVHXEWCQOGNNSZ-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM COC(C)(C)CCOC(=O)c1cnn[n-]1 ZINC000805606228 585733064 /nfs/dbraw/zinc/73/30/64/585733064.db2.gz VCWFRCFUUAKZGS-UHFFFAOYSA-N -1 3 213.237 0.777 20 0 BCADHM COC(C)(C)CCOC(=O)c1c[n-]nn1 ZINC000805606228 585733065 /nfs/dbraw/zinc/73/30/65/585733065.db2.gz VCWFRCFUUAKZGS-UHFFFAOYSA-N -1 3 213.237 0.777 20 0 BCADHM O=C(OC[C@H]1CCCCO1)c1cnn[n-]1 ZINC000805606607 585733426 /nfs/dbraw/zinc/73/34/26/585733426.db2.gz ZHUSVVCSSBWUIW-SSDOTTSWSA-N -1 3 211.221 0.531 20 0 BCADHM O=C(OC[C@H]1CCCCO1)c1c[n-]nn1 ZINC000805606607 585733427 /nfs/dbraw/zinc/73/34/27/585733427.db2.gz ZHUSVVCSSBWUIW-SSDOTTSWSA-N -1 3 211.221 0.531 20 0 BCADHM Cc1cc(C)n(CCOC(=O)c2cnn[n-]2)n1 ZINC000805606919 585734255 /nfs/dbraw/zinc/73/42/55/585734255.db2.gz CZBLKGJWEQDPLS-UHFFFAOYSA-N -1 3 235.247 0.475 20 0 BCADHM Cc1cc(C)n(CCOC(=O)c2c[n-]nn2)n1 ZINC000805606919 585734256 /nfs/dbraw/zinc/73/42/56/585734256.db2.gz CZBLKGJWEQDPLS-UHFFFAOYSA-N -1 3 235.247 0.475 20 0 BCADHM Cc1csc(COC(=O)c2cnn[n-]2)n1 ZINC000805607138 585734409 /nfs/dbraw/zinc/73/44/09/585734409.db2.gz RDVILTXVKUAAKZ-UHFFFAOYSA-N -1 3 224.245 0.927 20 0 BCADHM Cc1csc(COC(=O)c2c[n-]nn2)n1 ZINC000805607138 585734410 /nfs/dbraw/zinc/73/44/10/585734410.db2.gz RDVILTXVKUAAKZ-UHFFFAOYSA-N -1 3 224.245 0.927 20 0 BCADHM Cc1cc(COC(=O)c2cnn[n-]2)nn1C ZINC000805607290 585734569 /nfs/dbraw/zinc/73/45/69/585734569.db2.gz JDZSMKYSVFDBDE-UHFFFAOYSA-N -1 3 221.220 0.204 20 0 BCADHM Cc1cc(COC(=O)c2c[n-]nn2)nn1C ZINC000805607290 585734570 /nfs/dbraw/zinc/73/45/70/585734570.db2.gz JDZSMKYSVFDBDE-UHFFFAOYSA-N -1 3 221.220 0.204 20 0 BCADHM O=C(OCC[C@H]1CCCCO1)c1cnn[n-]1 ZINC000805607461 585734900 /nfs/dbraw/zinc/73/49/00/585734900.db2.gz LBLVFYFJOCXGKE-MRVPVSSYSA-N -1 3 225.248 0.921 20 0 BCADHM O=C(OCC[C@H]1CCCCO1)c1c[n-]nn1 ZINC000805607461 585734901 /nfs/dbraw/zinc/73/49/01/585734901.db2.gz LBLVFYFJOCXGKE-MRVPVSSYSA-N -1 3 225.248 0.921 20 0 BCADHM COc1ncc(COC(=O)c2cnn[n-]2)c(C)n1 ZINC000805610035 585736330 /nfs/dbraw/zinc/73/63/30/585736330.db2.gz XILIAHZFAUBLOU-UHFFFAOYSA-N -1 3 249.230 0.269 20 0 BCADHM COc1ncc(COC(=O)c2c[n-]nn2)c(C)n1 ZINC000805610035 585736331 /nfs/dbraw/zinc/73/63/31/585736331.db2.gz XILIAHZFAUBLOU-UHFFFAOYSA-N -1 3 249.230 0.269 20 0 BCADHM CNC(=O)COC(=O)c1ccc([O-])c(C)c1 ZINC000778852821 585741591 /nfs/dbraw/zinc/74/15/91/585741591.db2.gz KVJNNPRNORUWAG-UHFFFAOYSA-N -1 3 223.228 0.603 20 0 BCADHM COc1nnc(NC(=O)C2=COCC2)[n-]1 ZINC000778956374 585742556 /nfs/dbraw/zinc/74/25/56/585742556.db2.gz WWXCBGWRAJYOCI-UHFFFAOYSA-N -1 3 210.193 0.056 20 0 BCADHM COc1nc(NC(=O)C2=COCC2)n[n-]1 ZINC000778956374 585742557 /nfs/dbraw/zinc/74/25/57/585742557.db2.gz WWXCBGWRAJYOCI-UHFFFAOYSA-N -1 3 210.193 0.056 20 0 BCADHM COc1n[n-]c(NC(=O)C2=COCC2)n1 ZINC000778956374 585742558 /nfs/dbraw/zinc/74/25/58/585742558.db2.gz WWXCBGWRAJYOCI-UHFFFAOYSA-N -1 3 210.193 0.056 20 0 BCADHM COc1nnc(NC(=O)C=CSC)[n-]1 ZINC000778954914 585742586 /nfs/dbraw/zinc/74/25/86/585742586.db2.gz DNSOSOQXJKTIHE-ONEGZZNKSA-N -1 3 214.250 0.629 20 0 BCADHM COc1nc(NC(=O)C=CSC)n[n-]1 ZINC000778954914 585742587 /nfs/dbraw/zinc/74/25/87/585742587.db2.gz DNSOSOQXJKTIHE-ONEGZZNKSA-N -1 3 214.250 0.629 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C/SC)n1 ZINC000778954914 585742588 /nfs/dbraw/zinc/74/25/88/585742588.db2.gz DNSOSOQXJKTIHE-ONEGZZNKSA-N -1 3 214.250 0.629 20 0 BCADHM CC(C)CCOC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000779105178 585745239 /nfs/dbraw/zinc/74/52/39/585745239.db2.gz SVVPQGXZCJEZKX-ZETCQYMHSA-N -1 3 228.248 0.174 20 0 BCADHM O=C([N-]OC1CCCCC1)[C@@H]1CCNC(=O)C1 ZINC000779322704 585751261 /nfs/dbraw/zinc/75/12/61/585751261.db2.gz WAURFCSERNEBKK-SECBINFHSA-N -1 3 240.303 0.893 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1Cc2ccccc2O1 ZINC000779465054 585755488 /nfs/dbraw/zinc/75/54/88/585755488.db2.gz FOWICNATMLQXDI-SECBINFHSA-N -1 3 245.242 0.152 20 0 BCADHM CNC(=O)CCCCC(=O)[N-]OCC(F)F ZINC000779840562 585768763 /nfs/dbraw/zinc/76/87/63/585768763.db2.gz KTGYCKKNTGDEOR-UHFFFAOYSA-N -1 3 238.234 0.606 20 0 BCADHM CCOCCO[N-]C(=O)CCCCC(=O)NC ZINC000779843687 585768911 /nfs/dbraw/zinc/76/89/11/585768911.db2.gz JAAXNFXWCGBYJC-UHFFFAOYSA-N -1 3 246.307 0.377 20 0 BCADHM O=C(O[C@@H]1CCNC1=O)c1ccc([O-])cc1O ZINC000780058478 585772078 /nfs/dbraw/zinc/77/20/78/585772078.db2.gz FACZKYQUUFPFJK-SECBINFHSA-N -1 3 237.211 0.143 20 0 BCADHM CC[C@H](OC(=O)c1ccc([O-])cc1O)C(N)=O ZINC000780060487 585772164 /nfs/dbraw/zinc/77/21/64/585772164.db2.gz LEHMODDNTBOINF-VIFPVBQESA-N -1 3 239.227 0.519 20 0 BCADHM O=C(c1cc2n[n-]nc2cc1F)N1CCCO1 ZINC000781969380 585806137 /nfs/dbraw/zinc/80/61/37/585806137.db2.gz GZZBQOWGYHAAIA-UHFFFAOYSA-N -1 3 236.206 0.875 20 0 BCADHM C[C@@H]1CN(C)C(=O)CN1C(=O)c1ccccc1[O-] ZINC000782883035 585825528 /nfs/dbraw/zinc/82/55/28/585825528.db2.gz XSHIWGBJBSZLAE-SECBINFHSA-N -1 3 248.282 0.695 20 0 BCADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OC1CC1 ZINC000783197727 585830092 /nfs/dbraw/zinc/83/00/92/585830092.db2.gz FUCAXMGBECEJBA-MRVPVSSYSA-N -1 3 249.332 0.656 20 0 BCADHM CCc1ncncc1C(=O)[N-]N1CCCNC1=O ZINC000783604660 585838281 /nfs/dbraw/zinc/83/82/81/585838281.db2.gz REONIGTYRWSFHH-UHFFFAOYSA-N -1 3 249.274 0.099 20 0 BCADHM CO[C@@H]1CCN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000783655202 585839564 /nfs/dbraw/zinc/83/95/64/585839564.db2.gz AQHAHYNCBJXADQ-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM CO[C@@H]1CCN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000783655202 585839565 /nfs/dbraw/zinc/83/95/65/585839565.db2.gz AQHAHYNCBJXADQ-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM CO[C@@H]1CCN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000783655202 585839566 /nfs/dbraw/zinc/83/95/66/585839566.db2.gz AQHAHYNCBJXADQ-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM CCOCCO[N-]C(=O)CC(C)(C)OC ZINC000785289173 585872374 /nfs/dbraw/zinc/87/23/74/585872374.db2.gz JDKBRXJMEMKEAN-UHFFFAOYSA-N -1 3 219.281 0.886 20 0 BCADHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1ccon1 ZINC000785500253 585874754 /nfs/dbraw/zinc/87/47/54/585874754.db2.gz JNIPQCDFYAWFTR-IONNQARKSA-N -1 3 246.288 0.271 20 0 BCADHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(N)=O ZINC000786031407 585885681 /nfs/dbraw/zinc/88/56/81/585885681.db2.gz QBMXUKURCGIGIZ-YFKPBYRVSA-N -1 3 222.200 0.792 20 0 BCADHM Cn1ncc(C(=O)Nc2cccc([O-])c2F)n1 ZINC000786483318 585892397 /nfs/dbraw/zinc/89/23/97/585892397.db2.gz GRTUFRRKZZNTRD-UHFFFAOYSA-N -1 3 236.206 0.912 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCC(C)(C)C ZINC000786876011 585898442 /nfs/dbraw/zinc/89/84/42/585898442.db2.gz IGJIUMWNCSBQMB-MRVPVSSYSA-N -1 3 248.348 0.830 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1CCc2nccn2C1 ZINC000787117060 585901743 /nfs/dbraw/zinc/90/17/43/585901743.db2.gz WTWOIJXDOCWAKL-SECBINFHSA-N -1 3 239.275 0.140 20 0 BCADHM O=C([N-]OCC(F)F)[C@H]1CCc2nccn2C1 ZINC000787270013 585904315 /nfs/dbraw/zinc/90/43/15/585904315.db2.gz SKZVLTDAZWTUOJ-ZETCQYMHSA-N -1 3 245.229 0.758 20 0 BCADHM CC[C@@](C)([N-]C(=O)C(F)F)C(=O)OC ZINC000787275513 585904592 /nfs/dbraw/zinc/90/45/92/585904592.db2.gz MXBBIXRYFACKKE-MRVPVSSYSA-N -1 3 209.192 0.709 20 0 BCADHM C[C@H](CC(=O)[N-]OCCO)c1ccncc1 ZINC000787283184 585904665 /nfs/dbraw/zinc/90/46/65/585904665.db2.gz BNJXRKNYHQHVQD-SECBINFHSA-N -1 3 224.260 0.615 20 0 BCADHM Cc1ccc(F)c(C(=O)[N-]OCCO)c1F ZINC000787286043 585904814 /nfs/dbraw/zinc/90/48/14/585904814.db2.gz SWEULRBWGDPJCV-UHFFFAOYSA-N -1 3 231.198 0.927 20 0 BCADHM CC(=O)C(C)(C)CCC(=O)[N-]OCCO ZINC000787283820 585904867 /nfs/dbraw/zinc/90/48/67/585904867.db2.gz FCANQSWUOSVPHJ-UHFFFAOYSA-N -1 3 217.265 0.422 20 0 BCADHM Cc1ccc(CC(=O)[N-]OCCO)cc1C ZINC000787291647 585905334 /nfs/dbraw/zinc/90/53/34/585905334.db2.gz CFLLORMAXYIHTQ-UHFFFAOYSA-N -1 3 223.272 0.886 20 0 BCADHM O=C(CCCC(F)(F)F)[N-]OCCO ZINC000787292113 585905453 /nfs/dbraw/zinc/90/54/53/585905453.db2.gz PKZXGUMSAMKDPX-UHFFFAOYSA-N -1 3 215.171 0.759 20 0 BCADHM CSc1ccccc1CC(=O)[N-]OCCO ZINC000787294173 585905628 /nfs/dbraw/zinc/90/56/28/585905628.db2.gz SBWDWZZQYJMQKH-UHFFFAOYSA-N -1 3 241.312 0.991 20 0 BCADHM O=C(CCc1ccccc1F)[N-]OCCO ZINC000787299782 585906145 /nfs/dbraw/zinc/90/61/45/585906145.db2.gz KDCSQLQDRSACCU-UHFFFAOYSA-N -1 3 227.235 0.798 20 0 BCADHM O=C([N-]OCCO)c1ccnc(Cl)c1F ZINC000787299208 585906267 /nfs/dbraw/zinc/90/62/67/585906267.db2.gz NZTJGWCNEHIQQQ-UHFFFAOYSA-N -1 3 234.614 0.528 20 0 BCADHM CN(CC[N-]C(=O)C(F)F)CC(F)(F)F ZINC000787348817 585907499 /nfs/dbraw/zinc/90/74/99/585907499.db2.gz SMCURTJCOTYIOZ-UHFFFAOYSA-N -1 3 234.168 0.862 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1CCCN1C1CC1 ZINC000787407472 585908742 /nfs/dbraw/zinc/90/87/42/585908742.db2.gz BEJRBMXZIAMFCR-JTQLQIEISA-N -1 3 228.292 0.307 20 0 BCADHM CCc1ccc(C(=O)NN2CN=NC2=O)c([O-])c1 ZINC000788003027 585918732 /nfs/dbraw/zinc/91/87/32/585918732.db2.gz BLLFKRPWEPDFHO-UHFFFAOYSA-N -1 3 248.242 0.636 20 0 BCADHM Cn1ccc(NC([O-])=NOC[C@@H]2CCOC2)n1 ZINC000788287575 585921323 /nfs/dbraw/zinc/92/13/23/585921323.db2.gz VQFCGCAEASOLQK-MRVPVSSYSA-N -1 3 240.263 0.510 20 0 BCADHM Cn1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)n1 ZINC000788287575 585921324 /nfs/dbraw/zinc/92/13/24/585921324.db2.gz VQFCGCAEASOLQK-MRVPVSSYSA-N -1 3 240.263 0.510 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788568908 585927081 /nfs/dbraw/zinc/92/70/81/585927081.db2.gz DTDVUJSJKFZWJX-ZJUUUORDSA-N -1 3 231.292 0.622 20 0 BCADHM CC(C)[C@H](C(=O)[N-]OC[C@@H]1CCOC1)N(C)C ZINC000788573541 585927264 /nfs/dbraw/zinc/92/72/64/585927264.db2.gz GDIGOULYQHXOMW-GHMZBOCLSA-N -1 3 244.335 0.657 20 0 BCADHM CN1CCCC[C@H]1C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788574468 585927326 /nfs/dbraw/zinc/92/73/26/585927326.db2.gz LUQKAPRGLOLCCO-MNOVXSKESA-N -1 3 242.319 0.555 20 0 BCADHM COc1nnc([N-]C(=O)c2ccnnc2)s1 ZINC000788617219 585927901 /nfs/dbraw/zinc/92/79/01/585927901.db2.gz VJYNFLQXKRZEOT-UHFFFAOYSA-N -1 3 237.244 0.589 20 0 BCADHM [O-]C(=NOCCO)Nc1cccnc1Cl ZINC000790575716 585966527 /nfs/dbraw/zinc/96/65/27/585966527.db2.gz FBSSWJORCCRQBK-UHFFFAOYSA-N -1 3 231.639 0.780 20 0 BCADHM O=C([N-]OCCO)Nc1cccnc1Cl ZINC000790575716 585966528 /nfs/dbraw/zinc/96/65/28/585966528.db2.gz FBSSWJORCCRQBK-UHFFFAOYSA-N -1 3 231.639 0.780 20 0 BCADHM Cc1ccc(NC([O-])=NOCCO)cn1 ZINC000790576465 585966556 /nfs/dbraw/zinc/96/65/56/585966556.db2.gz KNGRGLUPRLFBAD-UHFFFAOYSA-N -1 3 211.221 0.435 20 0 BCADHM Cc1ccc(NC(=O)[N-]OCCO)cn1 ZINC000790576465 585966557 /nfs/dbraw/zinc/96/65/57/585966557.db2.gz KNGRGLUPRLFBAD-UHFFFAOYSA-N -1 3 211.221 0.435 20 0 BCADHM CC(C)N(C)CC(=O)[N-]OCC(C)(C)O ZINC000791263037 585975720 /nfs/dbraw/zinc/97/57/20/585975720.db2.gz IRTVWQQZXPGDIU-UHFFFAOYSA-N -1 3 218.297 0.145 20 0 BCADHM COC/C=C\C(=O)[N-]OCc1cccnc1 ZINC000791386990 585979978 /nfs/dbraw/zinc/97/99/78/585979978.db2.gz FWKQXUUUSSYWQO-HYXAFXHYSA-N -1 3 222.244 0.832 20 0 BCADHM C[C@@H](O)COC(=O)c1ccc2c(C=O)n[n-]c2c1 ZINC000792085359 585995498 /nfs/dbraw/zinc/99/54/98/585995498.db2.gz MRMUXZWUNWGJJE-SSDOTTSWSA-N -1 3 248.238 0.913 20 0 BCADHM C[C@@H](O)COC(=O)c1ccc2c(C=O)[n-]nc2c1 ZINC000792085359 585995499 /nfs/dbraw/zinc/99/54/99/585995499.db2.gz MRMUXZWUNWGJJE-SSDOTTSWSA-N -1 3 248.238 0.913 20 0 BCADHM Cc1noc(C)c1NC([O-])=NOCCO ZINC000792289170 585999265 /nfs/dbraw/zinc/99/92/65/585999265.db2.gz PIMAYPCBEITMGY-UHFFFAOYSA-N -1 3 215.209 0.337 20 0 BCADHM Cc1noc(C)c1NC(=O)[N-]OCCO ZINC000792289170 585999266 /nfs/dbraw/zinc/99/92/66/585999266.db2.gz PIMAYPCBEITMGY-UHFFFAOYSA-N -1 3 215.209 0.337 20 0 BCADHM Cc1cc(NC([O-])=NOCCO)nnc1C ZINC000792308255 585999835 /nfs/dbraw/zinc/99/98/35/585999835.db2.gz JDCJFZJJCXQGPA-UHFFFAOYSA-N -1 3 226.236 0.139 20 0 BCADHM Cc1cc(NC(=O)[N-]OCCO)nnc1C ZINC000792308255 585999836 /nfs/dbraw/zinc/99/98/36/585999836.db2.gz JDCJFZJJCXQGPA-UHFFFAOYSA-N -1 3 226.236 0.139 20 0 BCADHM CSc1ccc(NC([O-])=NOCCO)nc1 ZINC000792358900 585999939 /nfs/dbraw/zinc/99/99/39/585999939.db2.gz DGEXBFSIFQCHRP-UHFFFAOYSA-N -1 3 243.288 0.849 20 0 BCADHM CSc1ccc(NC(=O)[N-]OCCO)nc1 ZINC000792358900 585999940 /nfs/dbraw/zinc/99/99/40/585999940.db2.gz DGEXBFSIFQCHRP-UHFFFAOYSA-N -1 3 243.288 0.849 20 0 BCADHM CO[N-]C(=O)CCC(=O)c1cnn(C)c1 ZINC000792961364 586007685 /nfs/dbraw/zinc/00/76/85/586007685.db2.gz WAPVMDCWMMKHGG-UHFFFAOYSA-N -1 3 211.221 0.061 20 0 BCADHM COCCO[N-]C(=O)C[C@H]1CCCOC1 ZINC000793619077 586024191 /nfs/dbraw/zinc/02/41/91/586024191.db2.gz OFGTZDZLRLJUPU-SECBINFHSA-N -1 3 217.265 0.497 20 0 BCADHM O=C(NCc1cccnc1F)c1c[n-]nn1 ZINC000794001525 586029979 /nfs/dbraw/zinc/02/99/79/586029979.db2.gz JPNUKBUZKOYMEX-UHFFFAOYSA-N -1 3 221.195 0.269 20 0 BCADHM O=C(NCc1cccnc1F)c1cnn[n-]1 ZINC000794001525 586029980 /nfs/dbraw/zinc/02/99/80/586029980.db2.gz JPNUKBUZKOYMEX-UHFFFAOYSA-N -1 3 221.195 0.269 20 0 BCADHM O=C(NCc1cccnc1F)c1cn[n-]n1 ZINC000794001525 586029981 /nfs/dbraw/zinc/02/99/81/586029981.db2.gz JPNUKBUZKOYMEX-UHFFFAOYSA-N -1 3 221.195 0.269 20 0 BCADHM CSCCO[N-]C(=O)[C@@H]1CCCN1C ZINC000794185162 586033192 /nfs/dbraw/zinc/03/31/92/586033192.db2.gz YRWKBQUTHLNMJA-QMMMGPOBSA-N -1 3 218.322 0.491 20 0 BCADHM Cc1ncc(NC([O-])=NOCC(C)(C)O)cn1 ZINC000794167327 586033864 /nfs/dbraw/zinc/03/38/64/586033864.db2.gz CXYACLNGEIWEOU-UHFFFAOYSA-N -1 3 240.263 0.609 20 0 BCADHM Cc1ncc(NC(=O)[N-]OCC(C)(C)O)cn1 ZINC000794167327 586033865 /nfs/dbraw/zinc/03/38/65/586033865.db2.gz CXYACLNGEIWEOU-UHFFFAOYSA-N -1 3 240.263 0.609 20 0 BCADHM CSCCO[N-]C(=O)CCCC(=O)N(C)C ZINC000794180440 586034180 /nfs/dbraw/zinc/03/41/80/586034180.db2.gz IUBUEBPLQMSQHG-UHFFFAOYSA-N -1 3 248.348 0.656 20 0 BCADHM CSCCO[N-]C(=O)C[C@@H]1CCOC1 ZINC000794183503 586034341 /nfs/dbraw/zinc/03/43/41/586034341.db2.gz LKLDJKZSMIBSBM-QMMMGPOBSA-N -1 3 219.306 0.824 20 0 BCADHM CNC(=O)CCCCC(=O)[N-]OCCSC ZINC000794187831 586034344 /nfs/dbraw/zinc/03/43/44/586034344.db2.gz JXQOAYRQKMMQEY-UHFFFAOYSA-N -1 3 248.348 0.704 20 0 BCADHM CSCCO[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000794184166 586034448 /nfs/dbraw/zinc/03/44/48/586034448.db2.gz PZGUFDMUFSLJQO-ARJAWSKDSA-N -1 3 241.316 0.844 20 0 BCADHM CCN(CC(=O)[N-]OCCSC)C1CC1 ZINC000794184185 586034471 /nfs/dbraw/zinc/03/44/71/586034471.db2.gz QJLQTLPVDHJFFS-UHFFFAOYSA-N -1 3 232.349 0.882 20 0 BCADHM CNC(=O)CCCC(=O)[N-]OCCSC ZINC000794191445 586034681 /nfs/dbraw/zinc/03/46/81/586034681.db2.gz SVFVUOCMWGHREV-UHFFFAOYSA-N -1 3 234.321 0.314 20 0 BCADHM CSCCO[N-]C(=O)CCc1ccn(C)n1 ZINC000794461557 586040041 /nfs/dbraw/zinc/04/00/41/586040041.db2.gz LNQRBEDUGZYOOB-UHFFFAOYSA-N -1 3 243.332 0.764 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)CCCCNC(N)=O ZINC000794848352 586050648 /nfs/dbraw/zinc/05/06/48/586050648.db2.gz BJWVLNCYLDJFAK-VIFPVBQESA-N -1 3 245.323 0.919 20 0 BCADHM CC(C)OCCO[N-]C(=O)C1=CCOCC1 ZINC000795069832 586067952 /nfs/dbraw/zinc/06/79/52/586067952.db2.gz SEWOGMSYEAJZJU-UHFFFAOYSA-N -1 3 229.276 0.806 20 0 BCADHM O=S(=O)([N-]Cc1cccnc1F)C1COC1 ZINC000795268075 586074217 /nfs/dbraw/zinc/07/42/17/586074217.db2.gz ONBASNATWXWUBW-UHFFFAOYSA-N -1 3 246.263 0.039 20 0 BCADHM O=C(C[C@@H]1CCC(F)(F)C1)[N-]OCCO ZINC000797992213 586135304 /nfs/dbraw/zinc/13/53/04/586135304.db2.gz PLHOVNATHMKORP-ZETCQYMHSA-N -1 3 223.219 0.852 20 0 BCADHM CCO[N-]C(=O)C[C@@H]1CCCC[C@H]1O ZINC000798154287 586138338 /nfs/dbraw/zinc/13/83/38/586138338.db2.gz CUSQPHXWOCKEMY-DTWKUNHWSA-N -1 3 201.266 0.995 20 0 BCADHM COC/C=C/C(=O)Nc1ncccc1[O-] ZINC000798303165 586142598 /nfs/dbraw/zinc/14/25/98/586142598.db2.gz XUUWAJTVIFCJFF-HWKANZROSA-N -1 3 208.217 0.928 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)[C@H]1C[C@@H]1C(F)F ZINC000801103077 586242292 /nfs/dbraw/zinc/24/22/92/586242292.db2.gz YDFBQNSKIIIAEH-CSMHCCOUSA-N -1 3 235.230 0.972 20 0 BCADHM COc1nccc(NC([O-])=NOCC(F)F)n1 ZINC000801725539 586269597 /nfs/dbraw/zinc/26/95/97/586269597.db2.gz RCYCUOXLWJIYDN-UHFFFAOYSA-N -1 3 248.189 0.803 20 0 BCADHM COc1nccc(NC(=O)[N-]OCC(F)F)n1 ZINC000801725539 586269599 /nfs/dbraw/zinc/26/95/99/586269599.db2.gz RCYCUOXLWJIYDN-UHFFFAOYSA-N -1 3 248.189 0.803 20 0 BCADHM O=C([N-]c1nncn1C1CC1)C1=COCCO1 ZINC000803518906 586364127 /nfs/dbraw/zinc/36/41/27/586364127.db2.gz QOZJUOSBUARTLY-UHFFFAOYSA-N -1 3 236.231 0.440 20 0 BCADHM CC(C)[C@@H]([N-]C(=O)C(F)F)c1nncn1C ZINC000804260543 586386046 /nfs/dbraw/zinc/38/60/46/586386046.db2.gz JHNICUGLYHFANO-ZCFIWIBFSA-N -1 3 232.234 0.894 20 0 BCADHM Cc1ccnc(C)c1NC([O-])=NOCCO ZINC000806537598 586413894 /nfs/dbraw/zinc/41/38/94/586413894.db2.gz RSLRXRXOHBEDES-UHFFFAOYSA-N -1 3 225.248 0.744 20 0 BCADHM Cc1ccnc(C)c1NC(=O)[N-]OCCO ZINC000806537598 586413896 /nfs/dbraw/zinc/41/38/96/586413896.db2.gz RSLRXRXOHBEDES-UHFFFAOYSA-N -1 3 225.248 0.744 20 0 BCADHM C[C@H]1CCNC(=O)[C@H]1[N-]C(=O)C(C)(F)F ZINC000808469983 586475409 /nfs/dbraw/zinc/47/54/09/586475409.db2.gz RIBHCMAKYRUUNG-WDSKDSINSA-N -1 3 220.219 0.282 20 0 BCADHM CC(C)=CCOC(=O)CN1CC(=O)[N-]C1=O ZINC000808516924 586476801 /nfs/dbraw/zinc/47/68/01/586476801.db2.gz RGEJHKVQOMPOEG-UHFFFAOYSA-N -1 3 226.232 0.048 20 0 BCADHM Cn1nncc1[N-]S(=O)(=O)CCCCF ZINC000808564551 586479918 /nfs/dbraw/zinc/47/99/18/586479918.db2.gz WUSZIWGVTWIPOD-UHFFFAOYSA-N -1 3 236.272 0.307 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-][C@@H]1C[C@H](C)OC1=O ZINC000809383627 586505067 /nfs/dbraw/zinc/50/50/67/586505067.db2.gz GJEZAMRDDLEUSD-XHNCKOQMSA-N -1 3 249.332 0.656 20 0 BCADHM COC(=O)CCCCOC(=O)c1cnn[n-]1 ZINC000859692956 589055244 /nfs/dbraw/zinc/05/52/44/589055244.db2.gz PJYQLONNBNZPCV-UHFFFAOYSA-N -1 3 227.220 0.305 20 0 BCADHM COC(=O)CCCCOC(=O)c1c[n-]nn1 ZINC000859692956 589055245 /nfs/dbraw/zinc/05/52/45/589055245.db2.gz PJYQLONNBNZPCV-UHFFFAOYSA-N -1 3 227.220 0.305 20 0 BCADHM O=C1OCC[C@@H]1[N-]S(=O)(=O)CCC1CCC1 ZINC000809805475 586520880 /nfs/dbraw/zinc/52/08/80/586520880.db2.gz ZADSOOQNSYXIPI-VIFPVBQESA-N -1 3 247.316 0.412 20 0 BCADHM CSCCON=C([O-])Nc1cnnn1C ZINC000809910655 586523973 /nfs/dbraw/zinc/52/39/73/586523973.db2.gz VYGPAYMXVAULHG-UHFFFAOYSA-N -1 3 231.281 0.231 20 0 BCADHM CSCCO[N-]C(=O)Nc1cnnn1C ZINC000809910655 586523975 /nfs/dbraw/zinc/52/39/75/586523975.db2.gz VYGPAYMXVAULHG-UHFFFAOYSA-N -1 3 231.281 0.231 20 0 BCADHM O=C(NN1CC(=O)[N-]C1=O)C1(F)CCCCC1 ZINC000809968505 586527533 /nfs/dbraw/zinc/52/75/33/586527533.db2.gz CYGIUCCASFQYEM-UHFFFAOYSA-N -1 3 243.238 0.242 20 0 BCADHM CCC(C)(C)C(=O)COC(=O)c1cnn[n-]1 ZINC000811223712 586557466 /nfs/dbraw/zinc/55/74/66/586557466.db2.gz LNPRTWDXEUZHLC-UHFFFAOYSA-N -1 3 225.248 0.967 20 0 BCADHM CCC(C)(C)C(=O)COC(=O)c1c[n-]nn1 ZINC000811223712 586557467 /nfs/dbraw/zinc/55/74/67/586557467.db2.gz LNPRTWDXEUZHLC-UHFFFAOYSA-N -1 3 225.248 0.967 20 0 BCADHM CCOCCC(=O)[N-]OCCCC(=O)OC ZINC000811560888 586561051 /nfs/dbraw/zinc/56/10/51/586561051.db2.gz AUWIPGFBFOKJPD-UHFFFAOYSA-N -1 3 233.264 0.414 20 0 BCADHM CCN(CC)CC(=O)[N-]OCCCC(=O)OC ZINC000811558919 586561156 /nfs/dbraw/zinc/56/11/56/586561156.db2.gz TUAUXESPDUFXCZ-UHFFFAOYSA-N -1 3 246.307 0.329 20 0 BCADHM NC(=O)CO[N-]C(=O)CCCC1CC1 ZINC000812544970 586578989 /nfs/dbraw/zinc/57/89/89/586578989.db2.gz YIUBKRKIEWDFSL-UHFFFAOYSA-N -1 3 200.238 0.100 20 0 BCADHM CCC(=O)N1CC[C@@H](C(=O)[N-]OC2CCC2)C1 ZINC000812789717 586584715 /nfs/dbraw/zinc/58/47/15/586584715.db2.gz MCUAOCIIUXEVBE-SECBINFHSA-N -1 3 240.303 0.845 20 0 BCADHM CC[C@H](C(=O)[N-]OC1CCC1)N(C)C ZINC000812789095 586584720 /nfs/dbraw/zinc/58/47/20/586584720.db2.gz MBBNEBHDNCPYMZ-SECBINFHSA-N -1 3 200.282 0.927 20 0 BCADHM CC(C)N(C)CC(=O)[N-]OC1CCC1 ZINC000812791170 586585294 /nfs/dbraw/zinc/58/52/94/586585294.db2.gz QDBINMMHKJKPQG-UHFFFAOYSA-N -1 3 200.282 0.927 20 0 BCADHM O=C(CCc1ncc[nH]1)[N-]OC1CCC1 ZINC000812793929 586585916 /nfs/dbraw/zinc/58/59/16/586585916.db2.gz KGSFSUVXTJKWEK-UHFFFAOYSA-N -1 3 209.249 0.943 20 0 BCADHM CO[C@H](C)CC(=O)[N-]OCCOC(C)C ZINC000812804448 586586589 /nfs/dbraw/zinc/58/65/89/586586589.db2.gz NCZJVNIOJMAQTB-SECBINFHSA-N -1 3 219.281 0.884 20 0 BCADHM CCCN(C)CC(=O)[N-]OCCOC(C)C ZINC000812805612 586586706 /nfs/dbraw/zinc/58/67/06/586586706.db2.gz SAMCQTGAZPEULZ-UHFFFAOYSA-N -1 3 232.324 0.801 20 0 BCADHM Cn1cc(NC([O-])=NOCCO)c(C2CC2)n1 ZINC000812996700 586589235 /nfs/dbraw/zinc/58/92/35/586589235.db2.gz SBMZZBBGABMXNY-UHFFFAOYSA-N -1 3 240.263 0.343 20 0 BCADHM Cn1cc(NC(=O)[N-]OCCO)c(C2CC2)n1 ZINC000812996700 586589236 /nfs/dbraw/zinc/58/92/36/586589236.db2.gz SBMZZBBGABMXNY-UHFFFAOYSA-N -1 3 240.263 0.343 20 0 BCADHM O=C([N-]OCCO)[C@@H]1CCCCCC(=O)C1 ZINC000813523989 586603046 /nfs/dbraw/zinc/60/30/46/586603046.db2.gz LOMLWEOWLIQNJH-SECBINFHSA-N -1 3 229.276 0.566 20 0 BCADHM Cc1cc(=O)[nH]c(C(=O)[N-]C2=NCCS2)c1 ZINC000814258135 586620753 /nfs/dbraw/zinc/62/07/53/586620753.db2.gz ZSJNWWJFHGKOGM-UHFFFAOYSA-N -1 3 237.284 0.928 20 0 BCADHM CO[N-]C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000814275922 586620953 /nfs/dbraw/zinc/62/09/53/586620953.db2.gz JQRVCSJHEJTTNV-QMMMGPOBSA-N -1 3 236.275 0.396 20 0 BCADHM COC[C@@H](C)OC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814529563 586623736 /nfs/dbraw/zinc/62/37/36/586623736.db2.gz JDWYCUVDHQXPLL-SSDOTTSWSA-N -1 3 241.243 0.993 20 0 BCADHM COC(=O)c1cc(C(=O)OC[C@H](C)OC)c[n-]1 ZINC000814532124 586623983 /nfs/dbraw/zinc/62/39/83/586623983.db2.gz OTNIIXZPLRJNIT-ZETCQYMHSA-N -1 3 241.243 0.993 20 0 BCADHM C[C@H]1CC[C@H](OC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000815207324 586673742 /nfs/dbraw/zinc/67/37/42/586673742.db2.gz BKVIXWHTKMVORS-YUMQZZPRSA-N -1 3 240.259 0.270 20 0 BCADHM CCn1ncc(C(=O)Nc2ncccc2[O-])n1 ZINC000816052787 586705632 /nfs/dbraw/zinc/70/56/32/586705632.db2.gz IWMVQOUAZHMLGB-UHFFFAOYSA-N -1 3 233.231 0.651 20 0 BCADHM CC1(C)CC(CC(=O)[N-]OCCO)C1 ZINC000816175356 586711772 /nfs/dbraw/zinc/71/17/72/586711772.db2.gz SGLDKWGUFFRKFL-UHFFFAOYSA-N -1 3 201.266 0.853 20 0 BCADHM CC(C)[C@@](C)([N-]C(=O)C(C)(F)F)C(N)=O ZINC000816644253 586748055 /nfs/dbraw/zinc/74/80/55/586748055.db2.gz GTBNPEIGQHVPMV-MRVPVSSYSA-N -1 3 222.235 0.658 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000816656478 586753127 /nfs/dbraw/zinc/75/31/27/586753127.db2.gz SWZBXJXCULLVDP-UHFFFAOYSA-N -1 3 249.061 0.585 20 0 BCADHM CCn1ncn([N-]C(=O)c2cccnc2C)c1=O ZINC000816734818 586761456 /nfs/dbraw/zinc/76/14/56/586761456.db2.gz FUYFFUQWJRVHOP-UHFFFAOYSA-N -1 3 247.258 0.152 20 0 BCADHM Cc1[nH][n-]c(=O)c1NC(=O)c1cnsn1 ZINC000816740803 586761651 /nfs/dbraw/zinc/76/16/51/586761651.db2.gz OFIHKBFGUDFXGY-UHFFFAOYSA-N -1 3 225.233 0.528 20 0 BCADHM CCO[N-]C(=O)Cc1ccnc(OC)c1 ZINC000816831403 586764186 /nfs/dbraw/zinc/76/41/86/586764186.db2.gz QSBFBVINYLVCHV-UHFFFAOYSA-N -1 3 210.233 0.700 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCc2cncn2C1 ZINC000816831367 586767133 /nfs/dbraw/zinc/76/71/33/586767133.db2.gz PRPXJRFEMYYLRL-MRVPVSSYSA-N -1 3 209.249 0.513 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]C2=NCCS2)C1 ZINC000816844206 586767460 /nfs/dbraw/zinc/76/74/60/586767460.db2.gz SRCNTLGDHVHZBY-QMMMGPOBSA-N -1 3 227.333 0.547 20 0 BCADHM O=C(C[C@H]1CCC(=O)N1)[N-]O[C@@H]1CCCCO1 ZINC000816913213 586771440 /nfs/dbraw/zinc/77/14/40/586771440.db2.gz BTNYABTVHGBWBX-LDYMZIIASA-N -1 3 242.275 0.230 20 0 BCADHM CC(C)CO[N-]C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000816953857 586773543 /nfs/dbraw/zinc/77/35/43/586773543.db2.gz ORXXLEGLJVMUHT-HTQZYQBOSA-N -1 3 214.265 0.202 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@H]1CCC(=O)NC1 ZINC000816976059 586776203 /nfs/dbraw/zinc/77/62/03/586776203.db2.gz VIJKBZVYVSVTJZ-IUCAKERBSA-N -1 3 228.292 0.607 20 0 BCADHM CON(C)C(=O)C[N-]c1noc(C(C)(C)C)n1 ZINC000817127166 586783381 /nfs/dbraw/zinc/78/33/81/586783381.db2.gz DJZOZYCJUKNNGS-UHFFFAOYSA-N -1 3 242.279 0.799 20 0 BCADHM O=C(CCCNC(=O)C1CC1)[N-]OCC1CC1 ZINC000817324354 586794272 /nfs/dbraw/zinc/79/42/72/586794272.db2.gz ASMCMRHDXZMDAQ-UHFFFAOYSA-N -1 3 240.303 0.751 20 0 BCADHM CC(=O)N1CCC[C@H](C(=O)[N-]OCC2CC2)C1 ZINC000817334962 586796825 /nfs/dbraw/zinc/79/68/25/586796825.db2.gz UQJGBTQWKAQLEN-NSHDSACASA-N -1 3 240.303 0.703 20 0 BCADHM O=C([N-]OCC1CC1)[C@@H]1CCc2nccn2C1 ZINC000817349751 586798201 /nfs/dbraw/zinc/79/82/01/586798201.db2.gz GTSAHQIUNGTWMW-SNVBAGLBSA-N -1 3 235.287 0.903 20 0 BCADHM CN1CC[C@@H](C(=O)[N-]OCC2CC2)CC1=O ZINC000817349840 586798344 /nfs/dbraw/zinc/79/83/44/586798344.db2.gz JDMSBRXJYYCFMV-SECBINFHSA-N -1 3 226.276 0.313 20 0 BCADHM C[C@]1(C(=O)[N-]N2CN=NC2=O)CC1(F)F ZINC000817742851 586824053 /nfs/dbraw/zinc/82/40/53/586824053.db2.gz RELXJZLDRFXQCS-ZCFIWIBFSA-N -1 3 218.163 0.099 20 0 BCADHM CC(C)N1CCC[C@H](N(C)CCC(=O)[O-])C1=O ZINC000817909768 586837172 /nfs/dbraw/zinc/83/71/72/586837172.db2.gz MOXYDDJCQQMPMH-JTQLQIEISA-N -1 3 242.319 0.792 20 0 BCADHM C[C@H](NCc1ccc(C(=O)N(C)C)[nH]1)C(=O)[O-] ZINC000818053539 586867425 /nfs/dbraw/zinc/86/74/25/586867425.db2.gz QHKRZSFRYCXUFW-ZETCQYMHSA-N -1 3 239.275 0.279 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)OC[C@H]1CCCN1CC(=O)[O-] ZINC000818090043 586872212 /nfs/dbraw/zinc/87/22/12/586872212.db2.gz KWYCZTHBYRJJCL-BBBLOLIVSA-N -1 3 241.287 0.735 20 0 BCADHM CC[C@@H](N[C@@H](C)c1cnccn1)C(=O)[O-] ZINC000818316649 586885796 /nfs/dbraw/zinc/88/57/96/586885796.db2.gz CHDDQIXHCRYFCK-JGVFFNPUSA-N -1 3 209.249 0.990 20 0 BCADHM CC[C@@H](NCc1cnc(C)nc1)C(=O)[O-] ZINC000818316983 586886215 /nfs/dbraw/zinc/88/62/15/586886215.db2.gz MNZKWJZEGRCWJP-SECBINFHSA-N -1 3 209.249 0.738 20 0 BCADHM CN(C)C1(C(=O)N2CC[C@H](C(=O)[O-])C2)CCC1 ZINC000818373798 586889836 /nfs/dbraw/zinc/88/98/36/586889836.db2.gz AWJLFWCXLZRIND-VIFPVBQESA-N -1 3 240.303 0.404 20 0 BCADHM CN(CC1CC1)C(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000818413216 586890526 /nfs/dbraw/zinc/89/05/26/586890526.db2.gz AQPSLDDMKAIZSP-SNVBAGLBSA-N -1 3 240.303 0.261 20 0 BCADHM COC(=O)/C(C)=C/CN1CCC(C(=O)[O-])CC1 ZINC000818500442 586895338 /nfs/dbraw/zinc/89/53/38/586895338.db2.gz JYCAZMYRPPWZMQ-YCRREMRBSA-N -1 3 241.287 0.902 20 0 BCADHM Cc1ncc(CN(C)[C@@H](C)C(=O)[O-])cn1 ZINC000819012539 586923905 /nfs/dbraw/zinc/92/39/05/586923905.db2.gz VZXALJWIBVLFRT-ZETCQYMHSA-N -1 3 209.249 0.690 20 0 BCADHM O=C(O[C@H]1CNOC1)c1c(F)ccc([O-])c1F ZINC000819756366 586990172 /nfs/dbraw/zinc/99/01/72/586990172.db2.gz VBCLYDWNMOPOJM-YFKPBYRVSA-N -1 3 245.181 0.731 20 0 BCADHM CNC(=O)C1(C(=O)[N-]C2=NC[C@@H](C)S2)CC1 ZINC000819772483 586991454 /nfs/dbraw/zinc/99/14/54/586991454.db2.gz PFBQAGQQCZVJRT-ZCFIWIBFSA-N -1 3 241.316 0.120 20 0 BCADHM CCOCCOCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819767588 586991571 /nfs/dbraw/zinc/99/15/71/586991571.db2.gz VHFARVPNTOFPGX-MRVPVSSYSA-N -1 3 246.332 0.647 20 0 BCADHM Cc1ccn(CC(=O)[N-]C2=NC[C@@H](C)S2)n1 ZINC000819782363 586994789 /nfs/dbraw/zinc/99/47/89/586994789.db2.gz TZOVXGNXSVSHCC-MRVPVSSYSA-N -1 3 238.316 0.799 20 0 BCADHM C[C@H](C(=O)n1ncc(-c2nnn[n-]2)c1N)C1CC1 ZINC000819882930 586999730 /nfs/dbraw/zinc/99/97/30/586999730.db2.gz CWBOHBWMWSXOJD-YFKPBYRVSA-N -1 3 247.262 0.332 20 0 BCADHM CC(C)(C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819914051 587002368 /nfs/dbraw/zinc/00/23/68/587002368.db2.gz IPIZEXYPYPWLMH-UHFFFAOYSA-N -1 3 248.290 0.971 20 0 BCADHM CC(C)(C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819914051 587002371 /nfs/dbraw/zinc/00/23/71/587002371.db2.gz IPIZEXYPYPWLMH-UHFFFAOYSA-N -1 3 248.290 0.971 20 0 BCADHM CC(C)C[C@@H](O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000860092223 589080275 /nfs/dbraw/zinc/08/02/75/589080275.db2.gz JALFSCAZBNKKEG-MRVPVSSYSA-N -1 3 239.275 0.319 20 0 BCADHM C[C@H](CC(=O)[N-]OCC(C)(C)O)n1cccn1 ZINC000819945560 587004759 /nfs/dbraw/zinc/00/47/59/587004759.db2.gz GRZXADXJQVHVLB-SECBINFHSA-N -1 3 241.291 0.653 20 0 BCADHM CC(=CC(=O)[N-]c1nnc2[nH]cnn12)C1CC1 ZINC000819973140 587009091 /nfs/dbraw/zinc/00/90/91/587009091.db2.gz RDMGXEDKULBUTO-XQRVVYSFSA-N -1 3 232.247 0.747 20 0 BCADHM CC(C)(C)C=CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000819972423 587009115 /nfs/dbraw/zinc/00/91/15/587009115.db2.gz DHVCEBRVCSKLTN-PLNGDYQASA-N -1 3 234.263 0.993 20 0 BCADHM CC(C)(CO)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000819988376 587011559 /nfs/dbraw/zinc/01/15/59/587011559.db2.gz ZDFFECVBHUYCND-UHFFFAOYSA-N -1 3 248.290 0.692 20 0 BCADHM CC(C)(CO)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000819988376 587011560 /nfs/dbraw/zinc/01/15/60/587011560.db2.gz ZDFFECVBHUYCND-UHFFFAOYSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@H](CCCO)Nc1ncccc1-c1nnn[n-]1 ZINC000820241953 587037644 /nfs/dbraw/zinc/03/76/44/587037644.db2.gz KPMVGOYPWKFKDG-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@H](CCCO)Nc1ncccc1-c1nn[n-]n1 ZINC000820241953 587037645 /nfs/dbraw/zinc/03/76/45/587037645.db2.gz KPMVGOYPWKFKDG-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@@H](CCCO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820242716 587037900 /nfs/dbraw/zinc/03/79/00/587037900.db2.gz PZTLZXGJUFEFBU-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@@H](CCCO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820242716 587037902 /nfs/dbraw/zinc/03/79/02/587037902.db2.gz PZTLZXGJUFEFBU-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@@H](CO)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820280347 587040429 /nfs/dbraw/zinc/04/04/29/587040429.db2.gz DSFHKLLUIWEUGN-YUMQZZPRSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](CO)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820280347 587040431 /nfs/dbraw/zinc/04/04/31/587040431.db2.gz DSFHKLLUIWEUGN-YUMQZZPRSA-N -1 3 248.290 0.691 20 0 BCADHM CC[C@H]1CC[C@H](C)N1CC(=O)NCC(=O)[O-] ZINC000820290518 587041316 /nfs/dbraw/zinc/04/13/16/587041316.db2.gz KJMYFTFJCHNOTA-IUCAKERBSA-N -1 3 228.292 0.450 20 0 BCADHM COc1nccc(C(=O)[N-]c2nc(C)n(C)n2)n1 ZINC000820302618 587042704 /nfs/dbraw/zinc/04/27/04/587042704.db2.gz ANAHZKJXDUJVBL-UHFFFAOYSA-N -1 3 248.246 0.174 20 0 BCADHM CCS(=O)(=O)C[C@H](C)N[C@@H](C)CC(=O)[O-] ZINC000820391918 587045597 /nfs/dbraw/zinc/04/55/97/587045597.db2.gz QEFRLAPQPHPBFO-YUMQZZPRSA-N -1 3 237.321 0.262 20 0 BCADHM CCc1nc([C@@H](C)N[C@@H](C)CC(=O)[O-])n[nH]1 ZINC000820492927 587051454 /nfs/dbraw/zinc/05/14/54/587051454.db2.gz VDCCSJCXHGCTJP-NKWVEPMBSA-N -1 3 226.280 0.881 20 0 BCADHM CCc1nnc([C@@H](C)N[C@@H](C)CC(=O)[O-])[nH]1 ZINC000820492927 587051455 /nfs/dbraw/zinc/05/14/55/587051455.db2.gz VDCCSJCXHGCTJP-NKWVEPMBSA-N -1 3 226.280 0.881 20 0 BCADHM CCc1nnc([C@@H](C)[NH2+][C@@H](C)CC(=O)[O-])[n-]1 ZINC000820492927 587051456 /nfs/dbraw/zinc/05/14/56/587051456.db2.gz VDCCSJCXHGCTJP-NKWVEPMBSA-N -1 3 226.280 0.881 20 0 BCADHM CCc1nn(C)c(OC)c1CN[C@H](C)C(=O)[O-] ZINC000820498593 587051639 /nfs/dbraw/zinc/05/16/39/587051639.db2.gz RIBQZJSTTLBPRQ-SSDOTTSWSA-N -1 3 241.291 0.554 20 0 BCADHM CN(C)CCNC(=S)NCCCCC(=O)[O-] ZINC000820543593 587053382 /nfs/dbraw/zinc/05/33/82/587053382.db2.gz KEPHKKPWNOPENS-UHFFFAOYSA-N -1 3 247.364 0.267 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1CCN1C1CCCC1 ZINC000820613583 587059076 /nfs/dbraw/zinc/05/90/76/587059076.db2.gz GZTGKBMUMLJAPA-NSHDSACASA-N -1 3 242.319 0.698 20 0 BCADHM CC1CC(C(=O)n2ncc(-c3nnn[n-]3)c2N)C1 ZINC000820648569 587061573 /nfs/dbraw/zinc/06/15/73/587061573.db2.gz BXRBAPUURXVDQN-UHFFFAOYSA-N -1 3 247.262 0.332 20 0 BCADHM C[C@@H]1C[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820668094 587064927 /nfs/dbraw/zinc/06/49/27/587064927.db2.gz PHVGYYRJTUKXMQ-RNFRBKRXSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@@H]1C[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820668094 587064929 /nfs/dbraw/zinc/06/49/29/587064929.db2.gz PHVGYYRJTUKXMQ-RNFRBKRXSA-N -1 3 246.274 0.581 20 0 BCADHM COC(=O)c1cc(CN(C)[C@H](C)C(=O)[O-])c[nH]1 ZINC000820677910 587065745 /nfs/dbraw/zinc/06/57/45/587065745.db2.gz XRDORDJXGOHGLL-SSDOTTSWSA-N -1 3 240.259 0.706 20 0 BCADHM O=C1C[C@H]([N-]S(=O)(=O)c2cccs2)CO1 ZINC000820719790 587068764 /nfs/dbraw/zinc/06/87/64/587068764.db2.gz BVWKHEQJPWCWKL-LURJTMIESA-N -1 3 247.297 0.342 20 0 BCADHM COCCn1cc(CN(C)[C@H](C)C(=O)[O-])cn1 ZINC000820738585 587069591 /nfs/dbraw/zinc/06/95/91/587069591.db2.gz KZUPJKYTQBTVAA-SECBINFHSA-N -1 3 241.291 0.434 20 0 BCADHM CC(C)CC[N-]S(=O)(=O)N=S(C)(C)=O ZINC000820743520 587069599 /nfs/dbraw/zinc/06/95/99/587069599.db2.gz ISUNHNKSJXPRRB-UHFFFAOYSA-N -1 3 242.366 0.595 20 0 BCADHM COc1ncc(S(=O)(=O)[N-]CC2CC2)s1 ZINC000820782818 587072483 /nfs/dbraw/zinc/07/24/83/587072483.db2.gz AWCDZBOXFAOBND-UHFFFAOYSA-N -1 3 248.329 0.840 20 0 BCADHM C[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC000820813231 587074411 /nfs/dbraw/zinc/07/44/11/587074411.db2.gz BMQVOVBOBQEFAH-MRVPVSSYSA-N -1 3 246.274 0.487 20 0 BCADHM C[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC000820813231 587074413 /nfs/dbraw/zinc/07/44/13/587074413.db2.gz BMQVOVBOBQEFAH-MRVPVSSYSA-N -1 3 246.274 0.487 20 0 BCADHM CC=C(C)C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000820826213 587074823 /nfs/dbraw/zinc/07/48/23/587074823.db2.gz LCNJOOZUIIUMMV-CLTKARDFSA-N -1 3 244.258 0.588 20 0 BCADHM CC=C(C)C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000820826213 587074825 /nfs/dbraw/zinc/07/48/25/587074825.db2.gz LCNJOOZUIIUMMV-CLTKARDFSA-N -1 3 244.258 0.588 20 0 BCADHM CCC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820832573 587075589 /nfs/dbraw/zinc/07/55/89/587075589.db2.gz LRWXTXLACMCHJT-UHFFFAOYSA-N -1 3 249.230 0.331 20 0 BCADHM CCC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820832573 587075590 /nfs/dbraw/zinc/07/55/90/587075590.db2.gz LRWXTXLACMCHJT-UHFFFAOYSA-N -1 3 249.230 0.331 20 0 BCADHM CO[N-]C(=O)CCC1(CCC(=O)NOC)CC1 ZINC000820844306 587076259 /nfs/dbraw/zinc/07/62/59/587076259.db2.gz DKRINZJQYBUVBZ-UHFFFAOYSA-N -1 3 244.291 0.682 20 0 BCADHM CC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820876181 587079235 /nfs/dbraw/zinc/07/92/35/587079235.db2.gz MUTSBOJRDKPZLZ-LURJTMIESA-N -1 3 234.263 0.723 20 0 BCADHM CC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820876181 587079237 /nfs/dbraw/zinc/07/92/37/587079237.db2.gz MUTSBOJRDKPZLZ-LURJTMIESA-N -1 3 234.263 0.723 20 0 BCADHM Cc1cc(CN[C@@H](C)CC(=O)[O-])ncn1 ZINC000820976889 587085369 /nfs/dbraw/zinc/08/53/69/587085369.db2.gz UZMUHOAVIQSGTQ-QMMMGPOBSA-N -1 3 209.249 0.738 20 0 BCADHM CN(C)CCO[N-]C(=O)COC(F)(F)F ZINC000820996357 587086854 /nfs/dbraw/zinc/08/68/54/587086854.db2.gz HGWIVSQVJWOPIG-UHFFFAOYSA-N -1 3 230.186 0.132 20 0 BCADHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC000821153413 587098842 /nfs/dbraw/zinc/09/88/42/587098842.db2.gz BOTDPYUBDBSGQA-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC000821153413 587098844 /nfs/dbraw/zinc/09/88/44/587098844.db2.gz BOTDPYUBDBSGQA-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CCN(CCO)c1ccc(-c2nnn[n-]2)nc1 ZINC000821213867 587102120 /nfs/dbraw/zinc/10/21/20/587102120.db2.gz FLLSFDJQHCRJMA-UHFFFAOYSA-N -1 3 234.263 0.080 20 0 BCADHM CCN(CCO)c1ccc(-c2nn[n-]n2)nc1 ZINC000821213867 587102122 /nfs/dbraw/zinc/10/21/22/587102122.db2.gz FLLSFDJQHCRJMA-UHFFFAOYSA-N -1 3 234.263 0.080 20 0 BCADHM CO[C@@H]1C[C@H]1C(=O)Nc1cccc2n[n-]nc21 ZINC000821364322 587112165 /nfs/dbraw/zinc/11/21/65/587112165.db2.gz XTJDFNUGLGSLMJ-HZGVNTEJSA-N -1 3 232.243 0.931 20 0 BCADHM CCON=C([O-])Nc1c(C(=O)OC)cnn1C ZINC000821503024 587123116 /nfs/dbraw/zinc/12/31/16/587123116.db2.gz VAICEQPHTVPRNS-UHFFFAOYSA-N -1 3 242.235 0.280 20 0 BCADHM CCO[N-]C(=O)Nc1c(C(=O)OC)cnn1C ZINC000821503024 587123118 /nfs/dbraw/zinc/12/31/18/587123118.db2.gz VAICEQPHTVPRNS-UHFFFAOYSA-N -1 3 242.235 0.280 20 0 BCADHM O=C([O-])[C@@H]1CCN(Cc2cnc3cnccn23)C1 ZINC000821511581 587124065 /nfs/dbraw/zinc/12/40/65/587124065.db2.gz ZTYZTOFAWQRZOJ-SECBINFHSA-N -1 3 246.270 0.636 20 0 BCADHM O=C([O-])[C@H]1CCN(Cc2cnc3cnccn23)C1 ZINC000821511583 587124295 /nfs/dbraw/zinc/12/42/95/587124295.db2.gz ZTYZTOFAWQRZOJ-VIFPVBQESA-N -1 3 246.270 0.636 20 0 BCADHM CN(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821577868 587129761 /nfs/dbraw/zinc/12/97/61/587129761.db2.gz ANLLRJJGLJGGDI-UHFFFAOYSA-N -1 3 223.261 0.630 20 0 BCADHM CN(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821577868 587129763 /nfs/dbraw/zinc/12/97/63/587129763.db2.gz ANLLRJJGLJGGDI-UHFFFAOYSA-N -1 3 223.261 0.630 20 0 BCADHM CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821634996 587133789 /nfs/dbraw/zinc/13/37/89/587133789.db2.gz FZMYEBQFMFKZNX-UHFFFAOYSA-N -1 3 239.185 0.505 20 0 BCADHM CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821634996 587133790 /nfs/dbraw/zinc/13/37/90/587133790.db2.gz FZMYEBQFMFKZNX-UHFFFAOYSA-N -1 3 239.185 0.505 20 0 BCADHM CCCOCC(=O)[N-]c1nnnn1C1CC1 ZINC000821666494 587133967 /nfs/dbraw/zinc/13/39/67/587133967.db2.gz RMGSYKGIMCNFLU-UHFFFAOYSA-N -1 3 225.252 0.373 20 0 BCADHM COCCCNCc1ccc(-c2nnn[n-]2)o1 ZINC000821687503 587134802 /nfs/dbraw/zinc/13/48/02/587134802.db2.gz BVPBQKMZWPHDDM-UHFFFAOYSA-N -1 3 237.263 0.586 20 0 BCADHM COCc1noc(-c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC000821696451 587134841 /nfs/dbraw/zinc/13/48/41/587134841.db2.gz DFAZAELYQCSUNN-UHFFFAOYSA-N -1 3 247.218 0.391 20 0 BCADHM COCc1noc(-c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC000821696451 587134842 /nfs/dbraw/zinc/13/48/42/587134842.db2.gz DFAZAELYQCSUNN-UHFFFAOYSA-N -1 3 247.218 0.391 20 0 BCADHM CO[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000821697727 587134908 /nfs/dbraw/zinc/13/49/08/587134908.db2.gz OFQZXZUPZCKNFT-SECBINFHSA-N -1 3 246.274 0.487 20 0 BCADHM CO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000821697727 587134910 /nfs/dbraw/zinc/13/49/10/587134910.db2.gz OFQZXZUPZCKNFT-SECBINFHSA-N -1 3 246.274 0.487 20 0 BCADHM COCCNCc1ccc(-c2nnn[n-]2)s1 ZINC000821691294 587135001 /nfs/dbraw/zinc/13/50/01/587135001.db2.gz PDDXHMPZRFCBPV-UHFFFAOYSA-N -1 3 239.304 0.664 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H]1CCCCNC1=O ZINC000821772308 587137368 /nfs/dbraw/zinc/13/73/68/587137368.db2.gz XESCCLYWCWUROB-ZETCQYMHSA-N -1 3 234.246 0.817 20 0 BCADHM O=C(CN1CCCC1)Nc1ncccc1[O-] ZINC000821844542 587143751 /nfs/dbraw/zinc/14/37/51/587143751.db2.gz ZKJVELLTTFILLW-UHFFFAOYSA-N -1 3 221.260 0.822 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H](C)N(C)C ZINC000822056163 587150555 /nfs/dbraw/zinc/15/05/55/587150555.db2.gz VKGLCKFJOKNSES-MRVPVSSYSA-N -1 3 204.270 0.021 20 0 BCADHM O=C([N-]OCCO)[C@H]1CCN1C1CCCC1 ZINC000822061925 587151265 /nfs/dbraw/zinc/15/12/65/587151265.db2.gz BVHXEAMDSKJIGG-SNVBAGLBSA-N -1 3 228.292 0.043 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)cc1OCCCO ZINC000822221534 587158774 /nfs/dbraw/zinc/15/87/74/587158774.db2.gz SSVWZGUWTZDESU-UHFFFAOYSA-N -1 3 234.259 0.936 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)cc1OCCCO ZINC000822221534 587158775 /nfs/dbraw/zinc/15/87/75/587158775.db2.gz SSVWZGUWTZDESU-UHFFFAOYSA-N -1 3 234.259 0.936 20 0 BCADHM O=C(CN1CCCC1)[N-]OC[C@@H]1CCOC1 ZINC000822348012 587164027 /nfs/dbraw/zinc/16/40/27/587164027.db2.gz GNDTUZGZVQBWPX-SNVBAGLBSA-N -1 3 228.292 0.167 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000822494026 587172032 /nfs/dbraw/zinc/17/20/32/587172032.db2.gz FITMUVZVUCIIEX-HTQZYQBOSA-N -1 3 239.275 0.332 20 0 BCADHM COC(OC)C(=O)[N-]c1nncn1C1CC1 ZINC000822784062 587186225 /nfs/dbraw/zinc/18/62/25/587186225.db2.gz WLZHIPKJVQIQGY-UHFFFAOYSA-N -1 3 226.236 0.170 20 0 BCADHM CC[C@H](C)N(OC)C(=O)c1cc(=O)[n-]cn1 ZINC000860210871 589089835 /nfs/dbraw/zinc/08/98/35/589089835.db2.gz CCUWXFSQPPBHGJ-ZETCQYMHSA-N -1 3 225.248 0.984 20 0 BCADHM O=C(CN1CCCC1)[N-]OC/C=C\Cl ZINC000823047301 587199747 /nfs/dbraw/zinc/19/97/47/587199747.db2.gz UMRFWBBQPHJMPM-ARJAWSKDSA-N -1 3 218.684 0.883 20 0 BCADHM Cc1[n-][nH]c(=O)c1NC(=O)CN1CCCC1 ZINC000823129672 587204451 /nfs/dbraw/zinc/20/44/51/587204451.db2.gz HQTVDWNZLJBULD-UHFFFAOYSA-N -1 3 224.264 0.458 20 0 BCADHM O=C(CN1CCCC1)[N-]OCCC1CC1 ZINC000823144670 587205099 /nfs/dbraw/zinc/20/50/99/587205099.db2.gz ILPBBSRVLBSQRS-UHFFFAOYSA-N -1 3 212.293 0.930 20 0 BCADHM CC(C)O[N-]C(=O)C[C@@H]1CCCS1(=O)=O ZINC000823303319 587214789 /nfs/dbraw/zinc/21/47/89/587214789.db2.gz YIVRORRMQFKGNF-QMMMGPOBSA-N -1 3 235.305 0.410 20 0 BCADHM O=C(C[C@@H]1CCCS1(=O)=O)[N-]OC1CCC1 ZINC000823303331 587215030 /nfs/dbraw/zinc/21/50/30/587215030.db2.gz YNIKUKCEEGWDCW-VIFPVBQESA-N -1 3 247.316 0.554 20 0 BCADHM CC(C)O[N-]C(=O)C[C@H]1CCCS1(=O)=O ZINC000823303312 587215127 /nfs/dbraw/zinc/21/51/27/587215127.db2.gz YIVRORRMQFKGNF-MRVPVSSYSA-N -1 3 235.305 0.410 20 0 BCADHM O=C(OCCO)c1cc(-c2nnn[n-]2)cs1 ZINC000823404577 587220194 /nfs/dbraw/zinc/22/01/94/587220194.db2.gz ARLLTNMQWUYGSR-UHFFFAOYSA-N -1 3 240.244 0.077 20 0 BCADHM O=C(OCCO)c1cc(-c2nn[n-]n2)cs1 ZINC000823404577 587220196 /nfs/dbraw/zinc/22/01/96/587220196.db2.gz ARLLTNMQWUYGSR-UHFFFAOYSA-N -1 3 240.244 0.077 20 0 BCADHM CC(=O)NCCCN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823579506 587231617 /nfs/dbraw/zinc/23/16/17/587231617.db2.gz IYTCBSUSIAGOMK-JTQLQIEISA-N -1 3 243.307 0.197 20 0 BCADHM OCCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000823723055 587238188 /nfs/dbraw/zinc/23/81/88/587238188.db2.gz ZOMJUNIEQRGDDS-UHFFFAOYSA-N -1 3 220.236 0.056 20 0 BCADHM OCCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000823723055 587238189 /nfs/dbraw/zinc/23/81/89/587238189.db2.gz ZOMJUNIEQRGDDS-UHFFFAOYSA-N -1 3 220.236 0.056 20 0 BCADHM c1cc(-c2nnn[n-]2)oc1CN[C@@H]1CCCOC1 ZINC000823747666 587239364 /nfs/dbraw/zinc/23/93/64/587239364.db2.gz HOTHHVPZZBAREI-MRVPVSSYSA-N -1 3 249.274 0.728 20 0 BCADHM c1cc(-c2nn[n-]n2)oc1CN[C@@H]1CCCOC1 ZINC000823747666 587239366 /nfs/dbraw/zinc/23/93/66/587239366.db2.gz HOTHHVPZZBAREI-MRVPVSSYSA-N -1 3 249.274 0.728 20 0 BCADHM c1cc(-c2nnn[n-]2)ncc1N[C@@H]1CCCOC1 ZINC000823748242 587239397 /nfs/dbraw/zinc/23/93/97/587239397.db2.gz SAGBVFUSGFDLDT-SECBINFHSA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(-c2nn[n-]n2)ncc1N[C@@H]1CCCOC1 ZINC000823748242 587239399 /nfs/dbraw/zinc/23/93/99/587239399.db2.gz SAGBVFUSGFDLDT-SECBINFHSA-N -1 3 246.274 0.853 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000824041984 587251237 /nfs/dbraw/zinc/25/12/37/587251237.db2.gz VXDWKVKJNOTRFM-HTQZYQBOSA-N -1 3 209.249 0.971 20 0 BCADHM CC(C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824309632 587265663 /nfs/dbraw/zinc/26/56/63/587265663.db2.gz SMCWUSLBACNKST-UHFFFAOYSA-N -1 3 221.220 0.760 20 0 BCADHM CC(C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824309632 587265664 /nfs/dbraw/zinc/26/56/64/587265664.db2.gz SMCWUSLBACNKST-UHFFFAOYSA-N -1 3 221.220 0.760 20 0 BCADHM CC(C)OCCN(C)CCNC(=O)[O-] ZINC000824399758 587269319 /nfs/dbraw/zinc/26/93/19/587269319.db2.gz RZUMMTLEAAGHTE-UHFFFAOYSA-N -1 3 204.270 0.611 20 0 BCADHM C[C@@H](CC(=O)N1CCNC(C)(C)C1)NC(=O)[O-] ZINC000824599327 587279059 /nfs/dbraw/zinc/27/90/59/587279059.db2.gz MXIMUPBAQXYLAL-QMMMGPOBSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@@H](O)C[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC000824699009 587283548 /nfs/dbraw/zinc/28/35/48/587283548.db2.gz PEOHBAVDRQFFGL-HTQZYQBOSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)C[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC000824699009 587283549 /nfs/dbraw/zinc/28/35/49/587283549.db2.gz PEOHBAVDRQFFGL-HTQZYQBOSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](O)CCNc1cnccc1-c1nnn[n-]1 ZINC000824699346 587283613 /nfs/dbraw/zinc/28/36/13/587283613.db2.gz RUPOSDQXDZFNKL-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](O)CCNc1cnccc1-c1nn[n-]n1 ZINC000824699346 587283614 /nfs/dbraw/zinc/28/36/14/587283614.db2.gz RUPOSDQXDZFNKL-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](O)CCNc1cnccc1-c1nnn[n-]1 ZINC000824699345 587283621 /nfs/dbraw/zinc/28/36/21/587283621.db2.gz RUPOSDQXDZFNKL-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](O)CCNc1cnccc1-c1nn[n-]n1 ZINC000824699345 587283622 /nfs/dbraw/zinc/28/36/22/587283622.db2.gz RUPOSDQXDZFNKL-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](C(=O)[N-]OCC1CCC1)N(C)C ZINC000824736352 587285040 /nfs/dbraw/zinc/28/50/40/587285040.db2.gz QYIZTHMVEULEIQ-MRVPVSSYSA-N -1 3 200.282 0.784 20 0 BCADHM CSc1nnc(NC(=O)Cc2ncc[nH]2)[n-]1 ZINC000824783537 587287462 /nfs/dbraw/zinc/28/74/62/587287462.db2.gz VMQCCNALLCMJDE-UHFFFAOYSA-N -1 3 238.276 0.431 20 0 BCADHM CSc1n[n-]c(NC(=O)Cc2ncc[nH]2)n1 ZINC000824783537 587287463 /nfs/dbraw/zinc/28/74/63/587287463.db2.gz VMQCCNALLCMJDE-UHFFFAOYSA-N -1 3 238.276 0.431 20 0 BCADHM CSc1nc(NC(=O)Cc2ncc[nH]2)n[n-]1 ZINC000824783537 587287464 /nfs/dbraw/zinc/28/74/64/587287464.db2.gz VMQCCNALLCMJDE-UHFFFAOYSA-N -1 3 238.276 0.431 20 0 BCADHM C[C@]1(Nc2ccc(-c3nnn[n-]3)cn2)CCOC1 ZINC000824837254 587289999 /nfs/dbraw/zinc/28/99/99/587289999.db2.gz GHBRUAPJGRLNHQ-NSHDSACASA-N -1 3 246.274 0.853 20 0 BCADHM C[C@]1(Nc2ccc(-c3nn[n-]n3)cn2)CCOC1 ZINC000824837254 587290000 /nfs/dbraw/zinc/29/00/00/587290000.db2.gz GHBRUAPJGRLNHQ-NSHDSACASA-N -1 3 246.274 0.853 20 0 BCADHM C[C@H]1C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824900823 587292369 /nfs/dbraw/zinc/29/23/69/587292369.db2.gz WLAMJZDITMDRHH-BQBZGAKWSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@H]1C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824900823 587292370 /nfs/dbraw/zinc/29/23/70/587292370.db2.gz WLAMJZDITMDRHH-BQBZGAKWSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@@H]1C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824900827 587292732 /nfs/dbraw/zinc/29/27/32/587292732.db2.gz WLAMJZDITMDRHH-RNFRBKRXSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@@H]1C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824900827 587292733 /nfs/dbraw/zinc/29/27/33/587292733.db2.gz WLAMJZDITMDRHH-RNFRBKRXSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@@H](CNC(=O)[O-])N(C)CC[C@@H]1CCOC1=O ZINC000824967379 587296001 /nfs/dbraw/zinc/29/60/01/587296001.db2.gz ROCPXVPRYQMTCR-DTWKUNHWSA-N -1 3 244.291 0.528 20 0 BCADHM C/C=C/COC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825028564 587298903 /nfs/dbraw/zinc/29/89/03/587298903.db2.gz JCEQLXBYCYOASS-NSCUHMNNSA-N -1 3 233.231 0.928 20 0 BCADHM C/C=C/COC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825028564 587298905 /nfs/dbraw/zinc/29/89/05/587298905.db2.gz JCEQLXBYCYOASS-NSCUHMNNSA-N -1 3 233.231 0.928 20 0 BCADHM C/C=C\C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825028955 587299215 /nfs/dbraw/zinc/29/92/15/587299215.db2.gz SHGWBKDUDWIBOV-ARJAWSKDSA-N -1 3 219.244 0.909 20 0 BCADHM C[C@@H]1OCC[C@H]1NCc1ccc(-c2nnn[n-]2)o1 ZINC000825021878 587299221 /nfs/dbraw/zinc/29/92/21/587299221.db2.gz VADUKUWRQVWHPG-IONNQARKSA-N -1 3 249.274 0.727 20 0 BCADHM C[C@@H]1OCC[C@H]1NCc1ccc(-c2nn[n-]n2)o1 ZINC000825021878 587299223 /nfs/dbraw/zinc/29/92/23/587299223.db2.gz VADUKUWRQVWHPG-IONNQARKSA-N -1 3 249.274 0.727 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C(C)(F)F)C2 ZINC000825040506 587299883 /nfs/dbraw/zinc/29/98/83/587299883.db2.gz KZHDXPASOTUPQC-UHFFFAOYSA-N -1 3 243.213 0.988 20 0 BCADHM CCO/C=C\C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825041306 587300029 /nfs/dbraw/zinc/30/00/29/587300029.db2.gz YCUOIPJDRPGSLP-PLNGDYQASA-N -1 3 249.270 0.883 20 0 BCADHM CC[C@@H](O)CCNc1cnccc1-c1nnn[n-]1 ZINC000825152874 587307203 /nfs/dbraw/zinc/30/72/03/587307203.db2.gz DVWRFHRJZBIANH-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@H](O)CCNc1cnccc1-c1nn[n-]n1 ZINC000825152874 587307205 /nfs/dbraw/zinc/30/72/05/587307205.db2.gz DVWRFHRJZBIANH-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825302101 587313892 /nfs/dbraw/zinc/31/38/92/587313892.db2.gz WTUMTTKDYWHYCQ-UHFFFAOYSA-N -1 3 234.263 0.677 20 0 BCADHM CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825302101 587313893 /nfs/dbraw/zinc/31/38/93/587313893.db2.gz WTUMTTKDYWHYCQ-UHFFFAOYSA-N -1 3 234.263 0.677 20 0 BCADHM CCCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825332285 587315338 /nfs/dbraw/zinc/31/53/38/587315338.db2.gz GOCLHQQGZNGDOY-UHFFFAOYSA-N -1 3 220.236 0.335 20 0 BCADHM CCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825332285 587315340 /nfs/dbraw/zinc/31/53/40/587315340.db2.gz GOCLHQQGZNGDOY-UHFFFAOYSA-N -1 3 220.236 0.335 20 0 BCADHM CCNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000825484873 587321010 /nfs/dbraw/zinc/32/10/10/587321010.db2.gz BKZQXNWAHAATRS-UHFFFAOYSA-N -1 3 229.247 0.946 20 0 BCADHM CCNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000825484873 587321012 /nfs/dbraw/zinc/32/10/12/587321012.db2.gz BKZQXNWAHAATRS-UHFFFAOYSA-N -1 3 229.247 0.946 20 0 BCADHM C[C@@H](NCCCNC(=O)[O-])c1cnccn1 ZINC000825495237 587321416 /nfs/dbraw/zinc/32/14/16/587321416.db2.gz COQLWAVIINXVMC-MRVPVSSYSA-N -1 3 224.264 0.785 20 0 BCADHM C[C@@H](NCCN(C)C(=O)[O-])c1cnn(C)c1 ZINC000825496150 587321550 /nfs/dbraw/zinc/32/15/50/587321550.db2.gz MOOTUZUQNDYGAR-MRVPVSSYSA-N -1 3 226.280 0.681 20 0 BCADHM C[C@@H](O)CNCc1ccc(NC(=O)[O-])nc1 ZINC000825528541 587323552 /nfs/dbraw/zinc/32/35/52/587323552.db2.gz OYFOIWXQOGVCLF-SSDOTTSWSA-N -1 3 225.248 0.642 20 0 BCADHM CCOC(=O)c1cnn(CC)c1-c1nnn[n-]1 ZINC000825571003 587325693 /nfs/dbraw/zinc/32/56/93/587325693.db2.gz RTGMMBBQCSKPKK-UHFFFAOYSA-N -1 3 236.235 0.260 20 0 BCADHM CC1(C)CN(C(=O)[O-])CCN1CCCCO ZINC000825729216 587334379 /nfs/dbraw/zinc/33/43/79/587334379.db2.gz QHMYHEHNTJMANP-UHFFFAOYSA-N -1 3 230.308 0.833 20 0 BCADHM C/C(=C\CN1CCC[C@H]1C(=O)N(C)C)C(=O)[O-] ZINC000825742104 587335494 /nfs/dbraw/zinc/33/54/94/587335494.db2.gz VZCMGGQSXBRIKV-ZKXNXJMVSA-N -1 3 240.303 0.570 20 0 BCADHM C/C(=C/CN1CCN(C[C@@H](C)O)CC1)C(=O)[O-] ZINC000825741622 587335838 /nfs/dbraw/zinc/33/58/38/587335838.db2.gz QQQKCSNPWHWDOF-LBQOUHFTSA-N -1 3 242.319 0.016 20 0 BCADHM C/C(=C/CNC1(C(N)=O)CCCC1)C(=O)[O-] ZINC000825746880 587336357 /nfs/dbraw/zinc/33/63/57/587336357.db2.gz MAOPFRSBUVDWCI-YWEYNIOJSA-N -1 3 226.276 0.405 20 0 BCADHM C/C(=C/CNC1(C(N)=O)CCCCC1)C(=O)[O-] ZINC000825746130 587336467 /nfs/dbraw/zinc/33/64/67/587336467.db2.gz FMSKHQGVBINQBT-UITAMQMPSA-N -1 3 240.303 0.795 20 0 BCADHM CCc1nc(Cn2ccc(-c3nnn[n-]3)c2)no1 ZINC000825750700 587336920 /nfs/dbraw/zinc/33/69/20/587336920.db2.gz VRYRSXFEVHYXHE-UHFFFAOYSA-N -1 3 245.246 0.662 20 0 BCADHM CCc1nc(Cn2ccc(-c3nn[n-]n3)c2)no1 ZINC000825750700 587336922 /nfs/dbraw/zinc/33/69/22/587336922.db2.gz VRYRSXFEVHYXHE-UHFFFAOYSA-N -1 3 245.246 0.662 20 0 BCADHM CN(Cc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC000825986080 587347796 /nfs/dbraw/zinc/34/77/96/587347796.db2.gz NHXSWELRBAPJNB-UHFFFAOYSA-N -1 3 230.275 0.856 20 0 BCADHM Cc1cn(C)nc1NC([O-])=NOCC(C)(C)O ZINC000826043024 587349333 /nfs/dbraw/zinc/34/93/33/587349333.db2.gz CWQHNJRDKNONKV-UHFFFAOYSA-N -1 3 242.279 0.553 20 0 BCADHM Cc1cn(C)nc1NC(=O)[N-]OCC(C)(C)O ZINC000826043024 587349334 /nfs/dbraw/zinc/34/93/34/587349334.db2.gz CWQHNJRDKNONKV-UHFFFAOYSA-N -1 3 242.279 0.553 20 0 BCADHM C[C@@H]1CN(CCCCCO)CCN1C(=O)[O-] ZINC000826056175 587349780 /nfs/dbraw/zinc/34/97/80/587349780.db2.gz BPIZPRGRTCADDV-SNVBAGLBSA-N -1 3 230.308 0.833 20 0 BCADHM C[C@H](C(=O)[O-])[C@H](NCC(N)=O)c1ccccc1 ZINC000826055353 587349948 /nfs/dbraw/zinc/34/99/48/587349948.db2.gz ZFTKLVVYGAKBLR-KWQFWETISA-N -1 3 236.271 0.523 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)nc1N[C@@H](C)CCO ZINC000826280543 587352159 /nfs/dbraw/zinc/35/21/59/587352159.db2.gz GAIUGMMWUXDZFQ-QMMMGPOBSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccnc(-n2ccnc2)c1-c1nnn[n-]1 ZINC000826308556 587352344 /nfs/dbraw/zinc/35/23/44/587352344.db2.gz FLJQTYSROHYQIO-UHFFFAOYSA-N -1 3 227.231 0.756 20 0 BCADHM Cc1ccnc(-n2ccnc2)c1-c1nn[n-]n1 ZINC000826308556 587352345 /nfs/dbraw/zinc/35/23/45/587352345.db2.gz FLJQTYSROHYQIO-UHFFFAOYSA-N -1 3 227.231 0.756 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)nc1NC[C@H](C)O ZINC000826280987 587352354 /nfs/dbraw/zinc/35/23/54/587352354.db2.gz YZGLBEHEKJBXPH-ZETCQYMHSA-N -1 3 234.263 0.363 20 0 BCADHM O=C(NCC1CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826434400 587352840 /nfs/dbraw/zinc/35/28/40/587352840.db2.gz LUORUAYRGWKEHW-UHFFFAOYSA-N -1 3 232.247 0.335 20 0 BCADHM O=C(NCC1CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826434400 587352841 /nfs/dbraw/zinc/35/28/41/587352841.db2.gz LUORUAYRGWKEHW-UHFFFAOYSA-N -1 3 232.247 0.335 20 0 BCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC1 ZINC000826471400 587352989 /nfs/dbraw/zinc/35/29/89/587352989.db2.gz XYMJMSVKFDIQET-UHFFFAOYSA-N -1 3 232.247 0.431 20 0 BCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC1 ZINC000826471400 587352990 /nfs/dbraw/zinc/35/29/90/587352990.db2.gz XYMJMSVKFDIQET-UHFFFAOYSA-N -1 3 232.247 0.431 20 0 BCADHM O=C(Nc1cn[nH]c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826458849 587353159 /nfs/dbraw/zinc/35/31/59/587353159.db2.gz JLNPUJVIQVLVSK-UHFFFAOYSA-N -1 3 244.218 0.170 20 0 BCADHM O=C(Nc1cn[nH]c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826458849 587353160 /nfs/dbraw/zinc/35/31/60/587353160.db2.gz JLNPUJVIQVLVSK-UHFFFAOYSA-N -1 3 244.218 0.170 20 0 BCADHM c1cc(N[C@H]2CCOC2)ncc1-c1nnn[n-]1 ZINC000826517129 587353509 /nfs/dbraw/zinc/35/35/09/587353509.db2.gz RRODAMPFJXIYSV-QMMMGPOBSA-N -1 3 232.247 0.463 20 0 BCADHM c1cc(N[C@H]2CCOC2)ncc1-c1nn[n-]n1 ZINC000826517129 587353510 /nfs/dbraw/zinc/35/35/10/587353510.db2.gz RRODAMPFJXIYSV-QMMMGPOBSA-N -1 3 232.247 0.463 20 0 BCADHM CC[C@@H](COC)NC1CN(C(=O)[O-])C1 ZINC000826587866 587356052 /nfs/dbraw/zinc/35/60/52/587356052.db2.gz ZIOMHWWEMVBCQG-ZETCQYMHSA-N -1 3 202.254 0.363 20 0 BCADHM CC[C@H](O)CN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000826625893 587356927 /nfs/dbraw/zinc/35/69/27/587356927.db2.gz LSBHDSRNQCWNFV-BDAKNGLRSA-N -1 3 216.281 0.441 20 0 BCADHM CC[C@H](O)CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826625249 587356970 /nfs/dbraw/zinc/35/69/70/587356970.db2.gz CIBULSVYQHTGEM-BDAKNGLRSA-N -1 3 216.281 0.441 20 0 BCADHM CC[C@@H](O)CN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000826625896 587357078 /nfs/dbraw/zinc/35/70/78/587357078.db2.gz LSBHDSRNQCWNFV-RKDXNWHRSA-N -1 3 216.281 0.441 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H](C(N)=O)C(C)C ZINC000826760049 587361435 /nfs/dbraw/zinc/36/14/35/587361435.db2.gz BOJQAAFSQDXXLH-LURJTMIESA-N -1 3 222.235 0.658 20 0 BCADHM CC(C)NC(=O)CCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000826972202 587367126 /nfs/dbraw/zinc/36/71/26/587367126.db2.gz ZVLRTDREEAEMCV-NSHDSACASA-N -1 3 246.282 0.400 20 0 BCADHM CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[O-])C1 ZINC000827201703 587372580 /nfs/dbraw/zinc/37/25/80/587372580.db2.gz YFAFOKRQGASSNX-HRDYMLBCSA-N -1 3 243.307 0.099 20 0 BCADHM CCNC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000827241923 587373739 /nfs/dbraw/zinc/37/37/39/587373739.db2.gz DWJMUZMWBFVMFT-UHFFFAOYSA-N -1 3 243.307 0.197 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)NC[C@@H]1CCCN1C ZINC000827291156 587375503 /nfs/dbraw/zinc/37/55/03/587375503.db2.gz IQDUZEGDVKNTCZ-IUCAKERBSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)NCCN1CCC[C@H]1C ZINC000827289712 587375568 /nfs/dbraw/zinc/37/55/68/587375568.db2.gz ADBHVUHXLTXPJZ-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@H](NC(=O)[O-])C(=O)N(C)CCN(C)C ZINC000827514315 587385046 /nfs/dbraw/zinc/38/50/46/587385046.db2.gz LZUJKBOEHXYCBU-QMMMGPOBSA-N -1 3 231.296 0.053 20 0 BCADHM CN(C(=O)[O-])[C@@H]1CCN(CCC(C)(C)O)C1 ZINC000827890808 587408363 /nfs/dbraw/zinc/40/83/63/587408363.db2.gz ULMYRMJZMZBTJT-SECBINFHSA-N -1 3 230.308 0.832 20 0 BCADHM Nc1ccc(C(=O)N2CCCOCC2)c([O-])c1 ZINC000827889552 587408462 /nfs/dbraw/zinc/40/84/62/587408462.db2.gz HLSYEEWTBCWORK-UHFFFAOYSA-N -1 3 236.271 0.837 20 0 BCADHM CN(C)C(=O)CCN1CCC[C@H]1CNC(=O)[O-] ZINC000827953081 587412995 /nfs/dbraw/zinc/41/29/95/587412995.db2.gz DBOHBTLDGDUMJP-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CN(C)CCNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000828037845 587417137 /nfs/dbraw/zinc/41/71/37/587417137.db2.gz XXFNNYNXCOTVFT-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CN(C)CCN(C)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828029784 587417352 /nfs/dbraw/zinc/41/73/52/587417352.db2.gz APIXMPGGJFECGV-SECBINFHSA-N -1 3 243.307 0.006 20 0 BCADHM N[C@@H](CC(F)F)C(=O)[N-]O[C@H]1CCCCO1 ZINC000828062732 587418162 /nfs/dbraw/zinc/41/81/62/587418162.db2.gz QJWXFXADKNSILH-XPUUQOCRSA-N -1 3 238.234 0.543 20 0 BCADHM NC1(C(=O)[N-]O[C@@H]2CCCCO2)CCC1 ZINC000828059346 587418557 /nfs/dbraw/zinc/41/85/57/587418557.db2.gz LFCIANKNPOBHLB-MRVPVSSYSA-N -1 3 214.265 0.442 20 0 BCADHM N[C@H](CC(F)F)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000828062729 587418728 /nfs/dbraw/zinc/41/87/28/587418728.db2.gz QJWXFXADKNSILH-HTRCEHHLSA-N -1 3 238.234 0.543 20 0 BCADHM C[C@H]1CC(=O)N(CN2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000828148722 587421975 /nfs/dbraw/zinc/42/19/75/587421975.db2.gz CXWFXHLUOQONCN-CABZTGNLSA-N -1 3 240.303 0.609 20 0 BCADHM C[C@@H]1CC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1 ZINC000828149274 587421990 /nfs/dbraw/zinc/42/19/90/587421990.db2.gz IVTHLKWQNDECCN-ZJUUUORDSA-N -1 3 240.303 0.751 20 0 BCADHM CN(CCC(C)(C)O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828274573 587430381 /nfs/dbraw/zinc/43/03/81/587430381.db2.gz YSMZEPCPKRYEJE-VIFPVBQESA-N -1 3 230.308 0.832 20 0 BCADHM C[C@@H]1[C@@H](C)CCN1CC(=O)NCCC(=O)[O-] ZINC000828286734 587431920 /nfs/dbraw/zinc/43/19/20/587431920.db2.gz ZGJNYPVMIJJKGH-DTWKUNHWSA-N -1 3 228.292 0.308 20 0 BCADHM CC1(O)CC(C(=O)[N-]OCC(F)F)C1 ZINC000828460929 587443941 /nfs/dbraw/zinc/44/39/41/587443941.db2.gz FLVIUZPOASYRDB-UHFFFAOYSA-N -1 3 209.192 0.460 20 0 BCADHM CC[C@H](C(=O)N1CCN(C(=O)[O-])CC1)N(C)C ZINC000828586014 587451717 /nfs/dbraw/zinc/45/17/17/587451717.db2.gz CEAYJFIIDYFEHR-SECBINFHSA-N -1 3 243.307 0.149 20 0 BCADHM CC[C@H](C(=O)NC[C@H](C)C(=O)[O-])N(C)C ZINC000828587560 587452107 /nfs/dbraw/zinc/45/21/07/587452107.db2.gz UHKQTWYCECXOSM-JGVFFNPUSA-N -1 3 216.281 0.164 20 0 BCADHM CC[C@@H](C(=O)NCC(C)(C)C(=O)[O-])N(C)C ZINC000828587544 587452186 /nfs/dbraw/zinc/45/21/86/587452186.db2.gz TUKVKYJYPXEBPO-QMMMGPOBSA-N -1 3 230.308 0.554 20 0 BCADHM CC[C@H](C(=O)N(C)CCCC(=O)[O-])N(C)C ZINC000828587377 587452290 /nfs/dbraw/zinc/45/22/90/587452290.db2.gz REGMHDUOUQMTFV-SECBINFHSA-N -1 3 230.308 0.650 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000828595441 587452306 /nfs/dbraw/zinc/45/23/06/587452306.db2.gz YNTNSVSXWONFGU-RKDXNWHRSA-N -1 3 249.332 0.216 20 0 BCADHM CC[C@H](C(=O)OC)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828603437 587453044 /nfs/dbraw/zinc/45/30/44/587453044.db2.gz INOOZHMBIWDTFW-HRDYMLBCSA-N -1 3 229.276 0.591 20 0 BCADHM COC(=O)[C@]1(C)CCN(CCNC(=O)[O-])C1 ZINC000828618474 587453862 /nfs/dbraw/zinc/45/38/62/587453862.db2.gz NSEVIOMVHJOXMC-SNVBAGLBSA-N -1 3 230.264 0.139 20 0 BCADHM COC(=O)CCN(C)[C@@H](C)CNC(=O)[O-] ZINC000828670492 587456571 /nfs/dbraw/zinc/45/65/71/587456571.db2.gz GFYFBMARGUMJTR-ZETCQYMHSA-N -1 3 218.253 0.137 20 0 BCADHM COC(=O)CCN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000828674371 587456626 /nfs/dbraw/zinc/45/66/26/587456626.db2.gz BXEYKWBDOPUBCO-VIFPVBQESA-N -1 3 244.291 0.624 20 0 BCADHM COC(=O)CCN1CCC[C@H]1CNC(=O)[O-] ZINC000828674266 587456645 /nfs/dbraw/zinc/45/66/45/587456645.db2.gz AFXAZXAQSNBSFI-QMMMGPOBSA-N -1 3 230.264 0.282 20 0 BCADHM CO[C@@H](C)CN(CCNC(=O)[O-])C(C)C ZINC000828823789 587464296 /nfs/dbraw/zinc/46/42/96/587464296.db2.gz IHQNPTINUKEKFF-VIFPVBQESA-N -1 3 218.297 0.999 20 0 BCADHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1ccnn1C ZINC000828892577 587468926 /nfs/dbraw/zinc/46/89/26/587468926.db2.gz PDRJMJWKIUMLCK-SSDOTTSWSA-N -1 3 247.258 0.407 20 0 BCADHM COC[C@H]1CCN(CCNC(=O)[O-])C1 ZINC000828929713 587472996 /nfs/dbraw/zinc/47/29/96/587472996.db2.gz MCTJZSZDGAULEW-QMMMGPOBSA-N -1 3 202.254 0.222 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)c1ccnn1C ZINC000828963037 587476052 /nfs/dbraw/zinc/47/60/52/587476052.db2.gz MKTHJBWZIZAHAO-LURJTMIESA-N -1 3 220.236 0.029 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)c1ccnn1C ZINC000828963037 587476054 /nfs/dbraw/zinc/47/60/54/587476054.db2.gz MKTHJBWZIZAHAO-LURJTMIESA-N -1 3 220.236 0.029 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1ccnn1C ZINC000828963037 587476056 /nfs/dbraw/zinc/47/60/56/587476056.db2.gz MKTHJBWZIZAHAO-LURJTMIESA-N -1 3 220.236 0.029 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCN(C[C@@H](O)CC)CC1 ZINC000829004215 587479046 /nfs/dbraw/zinc/47/90/46/587479046.db2.gz CJEZZEXICGOHCP-WDEREUQCSA-N -1 3 244.335 0.238 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1nnnn1C1CC1 ZINC000829117749 587483459 /nfs/dbraw/zinc/48/34/59/587483459.db2.gz BMLGJULDIZCDJB-UHFFFAOYSA-N -1 3 245.233 0.670 20 0 BCADHM CC(=O)[C@@H](OC(=O)c1cnn[n-]1)C(C)C ZINC000829184466 587486862 /nfs/dbraw/zinc/48/68/62/587486862.db2.gz HLUCLVNLHMDXJJ-QMMMGPOBSA-N -1 3 211.221 0.575 20 0 BCADHM CC(=O)[C@@H](OC(=O)c1c[n-]nn1)C(C)C ZINC000829184466 587486863 /nfs/dbraw/zinc/48/68/63/587486863.db2.gz HLUCLVNLHMDXJJ-QMMMGPOBSA-N -1 3 211.221 0.575 20 0 BCADHM Cn1nc(C2CC2)nc1COC(=O)c1cnn[n-]1 ZINC000829185531 587487329 /nfs/dbraw/zinc/48/73/29/587487329.db2.gz UAPQOILHINQUQJ-UHFFFAOYSA-N -1 3 248.246 0.168 20 0 BCADHM Cn1nc(C2CC2)nc1COC(=O)c1c[n-]nn1 ZINC000829185531 587487330 /nfs/dbraw/zinc/48/73/30/587487330.db2.gz UAPQOILHINQUQJ-UHFFFAOYSA-N -1 3 248.246 0.168 20 0 BCADHM CCCN(C)CC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000829457897 587497717 /nfs/dbraw/zinc/49/77/17/587497717.db2.gz FILIRHGURTVEGE-NSHDSACASA-N -1 3 246.282 0.353 20 0 BCADHM CCCN(C)CC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000829457894 587498886 /nfs/dbraw/zinc/49/88/86/587498886.db2.gz FILIRHGURTVEGE-LLVKDONJSA-N -1 3 246.282 0.353 20 0 BCADHM CC1(CNC(=O)c2ccc(N)cc2[O-])COC1 ZINC000829528827 587502273 /nfs/dbraw/zinc/50/22/73/587502273.db2.gz ZFLDZLBVURWSQT-UHFFFAOYSA-N -1 3 236.271 0.741 20 0 BCADHM CCN(CC(=O)[O-])C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000829628507 587506596 /nfs/dbraw/zinc/50/65/96/587506596.db2.gz CTWBHNXCEKCPTB-UWVGGRQHSA-N -1 3 242.319 0.792 20 0 BCADHM CCN(CC(=O)[O-])C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000829628505 587506644 /nfs/dbraw/zinc/50/66/44/587506644.db2.gz CTWBHNXCEKCPTB-AOOOYVTPSA-N -1 3 242.319 0.792 20 0 BCADHM CC(C)C[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000829629523 587506703 /nfs/dbraw/zinc/50/67/03/587506703.db2.gz DYOCOOJSTBXCEG-UHFFFAOYSA-N -1 3 237.712 0.997 20 0 BCADHM CCN(CC)CC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000829671637 587507221 /nfs/dbraw/zinc/50/72/21/587507221.db2.gz ICFPAQFMJSTBQP-ZJUUUORDSA-N -1 3 242.319 0.507 20 0 BCADHM CCN(CC)CC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000829671591 587508807 /nfs/dbraw/zinc/50/88/07/587508807.db2.gz GSDNWLPFCBFJEU-SNVBAGLBSA-N -1 3 242.319 0.698 20 0 BCADHM COCCO[N-]C(=O)Cc1cnccc1C ZINC000829678732 587508954 /nfs/dbraw/zinc/50/89/54/587508954.db2.gz STURVHIUELRAHG-UHFFFAOYSA-N -1 3 224.260 0.627 20 0 BCADHM CCN(C/C=C(\C)C(=O)[O-])CCC(=O)OC ZINC000829692454 587509179 /nfs/dbraw/zinc/50/91/79/587509179.db2.gz JOOJQEATMSECJD-WEVVVXLNSA-N -1 3 229.276 0.902 20 0 BCADHM COCCO[N-]C(=O)C[C@@H](C)[C@H]1CCCO1 ZINC000829683028 587509455 /nfs/dbraw/zinc/50/94/55/587509455.db2.gz QSWPEBALQRTHNB-NXEZZACHSA-N -1 3 231.292 0.886 20 0 BCADHM CCN(C/C=C(\C)C(=O)OC)CCC(=O)[O-] ZINC000829692909 587509747 /nfs/dbraw/zinc/50/97/47/587509747.db2.gz QSJZTOLRDWKSHP-WEVVVXLNSA-N -1 3 229.276 0.902 20 0 BCADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OCCO ZINC000829763264 587513331 /nfs/dbraw/zinc/51/33/31/587513331.db2.gz HTSHRPPYCLGMSZ-WPRPVWTQSA-N -1 3 201.266 0.853 20 0 BCADHM CO/C(=C\c1ccccc1)C(=O)[N-]OCCO ZINC000829759400 587514059 /nfs/dbraw/zinc/51/40/59/587514059.db2.gz XNUMAUSUAKHDOJ-LUAWRHEFSA-N -1 3 237.255 0.714 20 0 BCADHM CCC(F)(F)C(=O)[N-]C1(C(N)=O)CC1 ZINC000830079749 587535161 /nfs/dbraw/zinc/53/51/61/587535161.db2.gz QMHDYAOVOTXWDA-UHFFFAOYSA-N -1 3 206.192 0.166 20 0 BCADHM Cc1cc(NCC(C)(C)NC(=O)[O-])nc(N)n1 ZINC000830122356 587537598 /nfs/dbraw/zinc/53/75/98/587537598.db2.gz LRYGFHSXMOOXFC-UHFFFAOYSA-N -1 3 239.279 0.825 20 0 BCADHM CCOc1nc(NC(=O)C2CC(=O)C2)n[n-]1 ZINC000830399458 587549469 /nfs/dbraw/zinc/54/94/69/587549469.db2.gz HXMARSFJBPGFDC-UHFFFAOYSA-N -1 3 224.220 0.121 20 0 BCADHM CCOc1nnc(NC(=O)C2CC(=O)C2)[n-]1 ZINC000830399458 587549470 /nfs/dbraw/zinc/54/94/70/587549470.db2.gz HXMARSFJBPGFDC-UHFFFAOYSA-N -1 3 224.220 0.121 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2CC(=O)C2)n1 ZINC000830399458 587549471 /nfs/dbraw/zinc/54/94/71/587549471.db2.gz HXMARSFJBPGFDC-UHFFFAOYSA-N -1 3 224.220 0.121 20 0 BCADHM CCOc1nc(NC(=O)C2(N(C)C)CC2)n[n-]1 ZINC000830403403 587550482 /nfs/dbraw/zinc/55/04/82/587550482.db2.gz FZQZRUXDPMKIDJ-UHFFFAOYSA-N -1 3 239.279 0.236 20 0 BCADHM CCOc1nnc(NC(=O)C2(N(C)C)CC2)[n-]1 ZINC000830403403 587550484 /nfs/dbraw/zinc/55/04/84/587550484.db2.gz FZQZRUXDPMKIDJ-UHFFFAOYSA-N -1 3 239.279 0.236 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2(N(C)C)CC2)n1 ZINC000830403403 587550485 /nfs/dbraw/zinc/55/04/85/587550485.db2.gz FZQZRUXDPMKIDJ-UHFFFAOYSA-N -1 3 239.279 0.236 20 0 BCADHM Cn1nccc1CNCCCNC(=O)[O-] ZINC000831058450 587584319 /nfs/dbraw/zinc/58/43/19/587584319.db2.gz IDUVLDGPZBCXGA-UHFFFAOYSA-N -1 3 212.253 0.167 20 0 BCADHM Cn1nccc1CN[C@H](CNC(=O)[O-])C1CC1 ZINC000831059594 587584827 /nfs/dbraw/zinc/58/48/27/587584827.db2.gz WCIGMIUIWUUFKG-SNVBAGLBSA-N -1 3 238.291 0.556 20 0 BCADHM Cn1nccc1CNCCN(C(=O)[O-])C1CC1 ZINC000831059858 587584969 /nfs/dbraw/zinc/58/49/69/587584969.db2.gz ZDMLRGBMAWFEPX-UHFFFAOYSA-N -1 3 238.291 0.652 20 0 BCADHM COC(=O)[C@@H]1CCCN(C/C=C(/C)C(=O)[O-])C1 ZINC000831107495 587586310 /nfs/dbraw/zinc/58/63/10/587586310.db2.gz KURWHBYYTQAJMR-HYHWUIIZSA-N -1 3 241.287 0.902 20 0 BCADHM CC[C@H](O)CC(=O)[N-]OCCSC ZINC000831582772 587620967 /nfs/dbraw/zinc/62/09/67/587620967.db2.gz GRSYLJSLVFZKSR-ZETCQYMHSA-N -1 3 207.295 0.558 20 0 BCADHM CC1=CC[C@](C)(C(=O)[N-]OCC(N)=O)CC1 ZINC000831651876 587626245 /nfs/dbraw/zinc/62/62/45/587626245.db2.gz OSDCXAJAWQOJKF-NSHDSACASA-N -1 3 226.276 0.656 20 0 BCADHM COCCCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000831696696 587627310 /nfs/dbraw/zinc/62/73/10/587627310.db2.gz ICEXZVZQOSIWPV-VIFPVBQESA-N -1 3 205.229 0.522 20 0 BCADHM CCCON=C([O-])Nc1ncncc1OC ZINC000831803447 587632863 /nfs/dbraw/zinc/63/28/63/587632863.db2.gz WQMAJMZKHLGGSH-UHFFFAOYSA-N -1 3 226.236 0.948 20 0 BCADHM CCCO[N-]C(=O)Nc1ncncc1OC ZINC000831803447 587632865 /nfs/dbraw/zinc/63/28/65/587632865.db2.gz WQMAJMZKHLGGSH-UHFFFAOYSA-N -1 3 226.236 0.948 20 0 BCADHM CCCON=C([O-])Nc1nnn(C)c1C ZINC000831866533 587634779 /nfs/dbraw/zinc/63/47/79/587634779.db2.gz ZKRIPHGUVCIPBF-UHFFFAOYSA-N -1 3 213.241 0.587 20 0 BCADHM CCCO[N-]C(=O)Nc1nnn(C)c1C ZINC000831866533 587634780 /nfs/dbraw/zinc/63/47/80/587634780.db2.gz ZKRIPHGUVCIPBF-UHFFFAOYSA-N -1 3 213.241 0.587 20 0 BCADHM O=C([O-])N1CC[C@H](N[C@@H]2C=C[C@H](CO)C2)C1 ZINC000831963555 587639795 /nfs/dbraw/zinc/63/97/95/587639795.db2.gz KKOOFOQGAWOHKW-AEJSXWLSSA-N -1 3 226.276 0.265 20 0 BCADHM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(CCO)C1 ZINC000832005988 587642148 /nfs/dbraw/zinc/64/21/48/587642148.db2.gz PLUFOYXUQBRMEK-MNOVXSKESA-N -1 3 242.319 0.833 20 0 BCADHM O=CN1CCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000832009258 587642540 /nfs/dbraw/zinc/64/25/40/587642540.db2.gz BLLCDCAIVKULGK-QMMMGPOBSA-N -1 3 235.243 0.347 20 0 BCADHM C[C@H](CC(=O)[N-]OCCO)[C@H]1CCCO1 ZINC000832411889 587659082 /nfs/dbraw/zinc/65/90/82/587659082.db2.gz KNBOBAZQFDAFMT-RKDXNWHRSA-N -1 3 217.265 0.232 20 0 BCADHM O=C([O-])NC[C@@H]1CCCCN1CCO ZINC000832528532 587665224 /nfs/dbraw/zinc/66/52/24/587665224.db2.gz SJXNHKFLHJBHMH-QMMMGPOBSA-N -1 3 202.254 0.101 20 0 BCADHM O=C([O-])NC[C@H]1CCCN1CCn1cccn1 ZINC000832573708 587667473 /nfs/dbraw/zinc/66/74/73/587667473.db2.gz QTGQPNCSRCVOGY-SNVBAGLBSA-N -1 3 238.291 0.615 20 0 BCADHM O=C([O-])NC[C@H]1CCCN1C[C@H]1CCCO1 ZINC000832572229 587667624 /nfs/dbraw/zinc/66/76/24/587667624.db2.gz ACGVQLHRFKGWGA-NXEZZACHSA-N -1 3 228.292 0.897 20 0 BCADHM O=C([O-])NCCN1CCC(OCCCO)CC1 ZINC000832641611 587671942 /nfs/dbraw/zinc/67/19/42/587671942.db2.gz CDIOVMVQJNHLKJ-UHFFFAOYSA-N -1 3 246.307 0.117 20 0 BCADHM O=C([O-])Nc1ccc(CNCCO)cn1 ZINC000832841494 587693203 /nfs/dbraw/zinc/69/32/03/587693203.db2.gz DBVGXADUQOTAHG-UHFFFAOYSA-N -1 3 211.221 0.253 20 0 BCADHM CC[C@@H](O)CC(=O)[N-]OC/C=C\Cl ZINC000832974863 587696024 /nfs/dbraw/zinc/69/60/24/587696024.db2.gz LUCWLLBLBONPLV-KFOINNEUSA-N -1 3 207.657 0.948 20 0 BCADHM O=C([O-])[C@]1(F)CCN(CCN2CCCCC2)C1 ZINC000833174113 587700746 /nfs/dbraw/zinc/70/07/46/587700746.db2.gz AZLVPETYGAVOJT-LBPRGKRZSA-N -1 3 244.310 0.971 20 0 BCADHM O=C([O-])[C@@]1(F)CCN(C[C@H]2CCOC2)C1 ZINC000833175629 587701190 /nfs/dbraw/zinc/70/11/90/587701190.db2.gz RZIOUBBJDFXVPD-PSASIEDQSA-N -1 3 217.240 0.522 20 0 BCADHM O=C([O-])CN(Cc1cnc2ccnn2c1)C1CC1 ZINC000833249444 587703342 /nfs/dbraw/zinc/70/33/42/587703342.db2.gz LMTLCPLSANBGLD-UHFFFAOYSA-N -1 3 246.270 0.778 20 0 BCADHM C/C(=C\CN(C)C1(C(N)=O)CCCC1)C(=O)[O-] ZINC000833384526 587712769 /nfs/dbraw/zinc/71/27/69/587712769.db2.gz SIMPBDBOBAMMDL-WEVVVXLNSA-N -1 3 240.303 0.747 20 0 BCADHM CC(C)(C)OCCN1CCC(O)(C(=O)[O-])CC1 ZINC000833445136 587715045 /nfs/dbraw/zinc/71/50/45/587715045.db2.gz BUKJKZYUOQRHEK-UHFFFAOYSA-N -1 3 245.319 0.713 20 0 BCADHM CC(C)N(CC(=O)NCCC(=O)[O-])C(C)C ZINC000833497303 587717721 /nfs/dbraw/zinc/71/77/21/587717721.db2.gz FIPFHDXQCNNXJU-UHFFFAOYSA-N -1 3 230.308 0.696 20 0 BCADHM CC(C)N(CCC(=O)[O-])CC1OCCO1 ZINC000833496533 587717865 /nfs/dbraw/zinc/71/78/65/587717865.db2.gz AJOAOAFKNUWBAS-UHFFFAOYSA-N -1 3 217.265 0.544 20 0 BCADHM C[C@@H](CN(CC1OCCO1)C1CC1)C(=O)[O-] ZINC000833516182 587718091 /nfs/dbraw/zinc/71/80/91/587718091.db2.gz GRGNTUZOBGTQLE-QMMMGPOBSA-N -1 3 229.276 0.544 20 0 BCADHM C[C@H](CN(C[C@H]1CNC(=O)O1)C1CC1)C(=O)[O-] ZINC000833515972 587718180 /nfs/dbraw/zinc/71/81/80/587718180.db2.gz CBPTUHKRXLTPPN-VXNVDRBHSA-N -1 3 242.275 0.280 20 0 BCADHM C[C@@H](CN(C[C@@H]1CNC(=O)O1)C1CC1)C(=O)[O-] ZINC000833515970 587718487 /nfs/dbraw/zinc/71/84/87/587718487.db2.gz CBPTUHKRXLTPPN-CBAPKCEASA-N -1 3 242.275 0.280 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN(C)CC[C@@H](C)O)O1 ZINC000833575726 587720865 /nfs/dbraw/zinc/72/08/65/587720865.db2.gz BYGUMGHCVKLBTR-PSASIEDQSA-N -1 3 243.303 0.837 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN(C)[C@H](C)CO)O1 ZINC000833577322 587721033 /nfs/dbraw/zinc/72/10/33/587721033.db2.gz OFGATWNCLQGMBP-VXNVDRBHSA-N -1 3 229.276 0.447 20 0 BCADHM C[C@]1(O)CCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833572178 587721153 /nfs/dbraw/zinc/72/11/53/587721153.db2.gz RKIASVWASAJOLT-NSHDSACASA-N -1 3 224.260 0.670 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN2CC[C@H](CO)C2)O1 ZINC000833581941 587722085 /nfs/dbraw/zinc/72/20/85/587722085.db2.gz AMIDCLGFXJYYSF-UWVGGRQHSA-N -1 3 241.287 0.448 20 0 BCADHM CCCN(CCC)CN1C[C@@H](C(=O)[O-])CC1=O ZINC000833650790 587726951 /nfs/dbraw/zinc/72/69/51/587726951.db2.gz AMCHSGTYOYWWDR-JTQLQIEISA-N -1 3 242.319 0.999 20 0 BCADHM CN(C)C(=O)CNC1(CC(=O)[O-])CCC1 ZINC000833687919 587727808 /nfs/dbraw/zinc/72/78/08/587727808.db2.gz CIHGDPIVYPZXFE-UHFFFAOYSA-N -1 3 214.265 0.062 20 0 BCADHM CN(C)C[C@@H]1CN([C@H](C(=O)[O-])C2CC2)CCO1 ZINC000833689176 587727901 /nfs/dbraw/zinc/72/79/01/587727901.db2.gz OOSOQNZRZYNOOY-MNOVXSKESA-N -1 3 242.319 0.112 20 0 BCADHM CNC(=O)[C@H](NC/C=C(/C)C(=O)[O-])C(C)C ZINC000833699036 587729355 /nfs/dbraw/zinc/72/93/55/587729355.db2.gz DCBOBPHHRTWRQF-BZJXQOFCSA-N -1 3 228.292 0.378 20 0 BCADHM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(C)C ZINC000833827585 587734659 /nfs/dbraw/zinc/73/46/59/587734659.db2.gz BLQGUPHQZOHGKS-DTWKUNHWSA-N -1 3 243.307 0.053 20 0 BCADHM CCNC(=O)[C@H](C)N[C@@H](C)C[C@H](C)NC(=O)[O-] ZINC000833859771 587736860 /nfs/dbraw/zinc/73/68/60/587736860.db2.gz IFUHUUVQUFXXLJ-CIUDSAMLSA-N -1 3 245.323 0.535 20 0 BCADHM CNC(=O)CCN1CCN(C(=O)[O-])[C@@H](C)[C@H]1C ZINC000833875590 587738172 /nfs/dbraw/zinc/73/81/72/587738172.db2.gz WYOVPFBBHMZABG-BDAKNGLRSA-N -1 3 243.307 0.195 20 0 BCADHM COCCN(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833883481 587738394 /nfs/dbraw/zinc/73/83/94/587738394.db2.gz JVAWUSTVTQSHOZ-JTQLQIEISA-N -1 3 228.292 0.850 20 0 BCADHM Cn1cc(CNC[C@@H](NC(=O)[O-])C2CC2)cn1 ZINC000833946112 587739684 /nfs/dbraw/zinc/73/96/84/587739684.db2.gz HRCDYVYKFJHVAK-SNVBAGLBSA-N -1 3 238.291 0.556 20 0 BCADHM Cn1nccc1CNC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833962886 587740102 /nfs/dbraw/zinc/74/01/02/587740102.db2.gz GKHMSPCJRLVRLU-VIFPVBQESA-N -1 3 238.291 0.510 20 0 BCADHM O=C([O-])N1CC[C@H](NC2CSC2)C1 ZINC000834084015 587744562 /nfs/dbraw/zinc/74/45/62/587744562.db2.gz LMXBSUFPJZAOPE-LURJTMIESA-N -1 3 202.279 0.444 20 0 BCADHM O=C([O-])N1CCC[C@H]1CN1CCC[C@@H](O)C1 ZINC000834111438 587746140 /nfs/dbraw/zinc/74/61/40/587746140.db2.gz KYPSMWAQOISXBY-VHSXEESVSA-N -1 3 228.292 0.586 20 0 BCADHM O=C([O-])NC[C@@H](NC1CSC1)C1CC1 ZINC000834205065 587748575 /nfs/dbraw/zinc/74/85/75/587748575.db2.gz CCPYASBISQKSIQ-MRVPVSSYSA-N -1 3 216.306 0.738 20 0 BCADHM O=C([O-])NCCN1CCN2CCCC[C@H]2C1 ZINC000834239851 587749669 /nfs/dbraw/zinc/74/96/69/587749669.db2.gz QANKPWLLYIRYGR-JTQLQIEISA-N -1 3 227.308 0.424 20 0 BCADHM O=C([O-])NCCN[C@@H](CCO)c1ccccc1 ZINC000834243916 587750213 /nfs/dbraw/zinc/75/02/13/587750213.db2.gz RNHZLLYERLUNHJ-NSHDSACASA-N -1 3 238.287 0.967 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C[C@@H]1CCCOC1 ZINC000834621512 587761275 /nfs/dbraw/zinc/76/12/75/587761275.db2.gz GISZMMSJBLUBEX-VIFPVBQESA-N -1 3 231.292 0.622 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]OCC(C)(C)O ZINC000834621808 587761352 /nfs/dbraw/zinc/76/13/52/587761352.db2.gz LLJVUBKUPYWBHT-SSDOTTSWSA-N -1 3 233.264 0.004 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2c[n-]nn2)CCS1 ZINC000834682496 587763935 /nfs/dbraw/zinc/76/39/35/587763935.db2.gz HQQGXYDQWCWUOZ-NKWVEPMBSA-N -1 3 226.305 0.819 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cnn[n-]2)CCS1 ZINC000834682496 587763936 /nfs/dbraw/zinc/76/39/36/587763936.db2.gz HQQGXYDQWCWUOZ-NKWVEPMBSA-N -1 3 226.305 0.819 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cn[n-]n2)CCS1 ZINC000834682496 587763937 /nfs/dbraw/zinc/76/39/37/587763937.db2.gz HQQGXYDQWCWUOZ-NKWVEPMBSA-N -1 3 226.305 0.819 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C[C@H]2CCC(=O)N2)n1 ZINC000834687074 587764283 /nfs/dbraw/zinc/76/42/83/587764283.db2.gz MIRWRIQCFGKKHH-MRVPVSSYSA-N -1 3 249.270 0.703 20 0 BCADHM CC1=NO[C@@H](C(=O)NCc2ncccc2[O-])C1 ZINC000834782670 587767003 /nfs/dbraw/zinc/76/70/03/587767003.db2.gz YVTPRRBQYHTQEM-SNVBAGLBSA-N -1 3 235.243 0.568 20 0 BCADHM CC(C)COCCC(=O)[N-]OC(C)(C)CO ZINC000836803338 587837550 /nfs/dbraw/zinc/83/75/50/587837550.db2.gz GUVVLWVJDKOPPH-UHFFFAOYSA-N -1 3 233.308 0.868 20 0 BCADHM CN(C)C1(C(=O)[N-]OC(C)(C)CO)CCC1 ZINC000836804900 587837964 /nfs/dbraw/zinc/83/79/64/587837964.db2.gz MLXILOCCDWRIPS-UHFFFAOYSA-N -1 3 230.308 0.289 20 0 BCADHM COC[C@H](C)CC(=O)[N-]OC(C)(C)CO ZINC000836804727 587837966 /nfs/dbraw/zinc/83/79/66/587837966.db2.gz GESXITQVDKZTNV-MRVPVSSYSA-N -1 3 219.281 0.478 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]O[C@@H](CO)C(C)C ZINC000836892344 587841489 /nfs/dbraw/zinc/84/14/89/587841489.db2.gz PWXQMJBOMPWPFB-BDAKNGLRSA-N -1 3 247.291 0.250 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]O[C@H](CO)C(C)C ZINC000836892345 587841533 /nfs/dbraw/zinc/84/15/33/587841533.db2.gz PWXQMJBOMPWPFB-DTWKUNHWSA-N -1 3 247.291 0.250 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H]1CCCN1C ZINC000836897386 587842145 /nfs/dbraw/zinc/84/21/45/587842145.db2.gz WUOKIZSEVAWYLN-VHSXEESVSA-N -1 3 230.308 0.145 20 0 BCADHM CO[C@H](C)CC(=O)[N-]O[C@H](CO)C(C)C ZINC000836896064 587842150 /nfs/dbraw/zinc/84/21/50/587842150.db2.gz HJEBBRIZINYETM-RKDXNWHRSA-N -1 3 219.281 0.476 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C1=COCC1 ZINC000836898471 587842164 /nfs/dbraw/zinc/84/21/64/587842164.db2.gz WWURBSNGCDZAKC-VIFPVBQESA-N -1 3 215.249 0.355 20 0 BCADHM CN1C(=O)N=CC1C(=O)[N-]OC1CCCC1 ZINC000867223181 587860125 /nfs/dbraw/zinc/86/01/25/587860125.db2.gz WGFJMVILKRYLAN-UHFFFAOYSA-N -1 3 225.248 0.730 20 0 BCADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000867223224 587860590 /nfs/dbraw/zinc/86/05/90/587860590.db2.gz FJYLMPPSTXLRPN-RKDXNWHRSA-N -1 3 241.316 0.862 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000837536690 587880636 /nfs/dbraw/zinc/88/06/36/587880636.db2.gz BCPYNIDUGSCFFS-AEJSXWLSSA-N -1 3 241.287 0.686 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000837644909 587887258 /nfs/dbraw/zinc/88/72/58/587887258.db2.gz TVYUXPKSPVOMCN-IVZWLZJFSA-N -1 3 241.287 0.686 20 0 BCADHM C[C@H]1C[C@H]([N-]S(=O)(=O)CC(C)(C)C)C(=O)O1 ZINC000841526459 587957841 /nfs/dbraw/zinc/95/78/41/587957841.db2.gz YKBVWLCSWMENJG-YUMQZZPRSA-N -1 3 249.332 0.656 20 0 BCADHM CCCCS(=O)(=O)[N-][C@@H]1C(=O)OCC1(C)C ZINC000841535200 587958013 /nfs/dbraw/zinc/95/80/13/587958013.db2.gz PUCQONUNLBSKQX-MRVPVSSYSA-N -1 3 249.332 0.658 20 0 BCADHM CC(=O)[N-]O[C@H](C(=O)N1CCCC1)C(C)C ZINC000842026172 587989869 /nfs/dbraw/zinc/98/98/69/587989869.db2.gz IQHYUEQFRKFOEE-JTQLQIEISA-N -1 3 228.292 0.701 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccnc1F ZINC000842824926 588065889 /nfs/dbraw/zinc/06/58/89/588065889.db2.gz STPUDRDOQVVRKH-ZETCQYMHSA-N -1 3 248.279 0.997 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1CCC(=O)C1 ZINC000843857639 588145560 /nfs/dbraw/zinc/14/55/60/588145560.db2.gz WFEFPLXBXSCQJR-QMMMGPOBSA-N -1 3 215.249 0.440 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)[C@H]1CCC(=O)C1 ZINC000843863608 588146512 /nfs/dbraw/zinc/14/65/12/588146512.db2.gz QMIALPJNFHSJAL-IUCAKERBSA-N -1 3 227.260 0.440 20 0 BCADHM CC[C@]1(C)NC(=O)N([N-]C(=O)C2(F)CC2)C1=O ZINC000843873768 588146827 /nfs/dbraw/zinc/14/68/27/588146827.db2.gz SIALYLZSFRUQKB-VIFPVBQESA-N -1 3 243.238 0.240 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC000843905225 588149537 /nfs/dbraw/zinc/14/95/37/588149537.db2.gz VLPCLEWEFGNIIX-PSASIEDQSA-N -1 3 229.276 0.420 20 0 BCADHM CCCO[N-]C(=O)CCCS(C)(=O)=O ZINC000844086792 588164870 /nfs/dbraw/zinc/16/48/70/588164870.db2.gz QJLYFTBKXMISRN-UHFFFAOYSA-N -1 3 223.294 0.269 20 0 BCADHM CCCO[N-]C(=O)CCc1ccnn1C ZINC000844088544 588165552 /nfs/dbraw/zinc/16/55/52/588165552.db2.gz VLGZEJXSKDFBTO-UHFFFAOYSA-N -1 3 211.265 0.811 20 0 BCADHM CCCO[N-]C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000844090377 588166292 /nfs/dbraw/zinc/16/62/92/588166292.db2.gz OVXZCLWRHFPEEC-VIFPVBQESA-N -1 3 249.332 0.659 20 0 BCADHM COCCO[N-]C(=O)[C@H]1CCc2cncn2C1 ZINC000844135718 588169433 /nfs/dbraw/zinc/16/94/33/588169433.db2.gz UQBZISBVQUZPSD-VIFPVBQESA-N -1 3 239.275 0.140 20 0 BCADHM CCON(C)C(=O)C[N-]C(=O)C(C)(F)F ZINC000844780253 588216893 /nfs/dbraw/zinc/21/68/93/588216893.db2.gz YCAUDXYPENGMHI-UHFFFAOYSA-N -1 3 224.207 0.168 20 0 BCADHM CCON=C([O-])Nc1cccc(C(=O)OC)n1 ZINC000844788842 588217388 /nfs/dbraw/zinc/21/73/88/588217388.db2.gz KVDPCCQOHQXZIW-UHFFFAOYSA-N -1 3 239.231 0.941 20 0 BCADHM CCO[N-]C(=O)Nc1cccc(C(=O)OC)n1 ZINC000844788842 588217389 /nfs/dbraw/zinc/21/73/89/588217389.db2.gz KVDPCCQOHQXZIW-UHFFFAOYSA-N -1 3 239.231 0.941 20 0 BCADHM CC/C=C/CCOC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845376211 588228287 /nfs/dbraw/zinc/22/82/87/588228287.db2.gz QMPLRQFGZQZNRD-CDAZIORVSA-N -1 3 247.316 0.578 20 0 BCADHM CCC[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845371333 588228403 /nfs/dbraw/zinc/22/84/03/588228403.db2.gz CTBIKCLIVZKGPF-HTQZYQBOSA-N -1 3 235.305 0.410 20 0 BCADHM CC[C@@H](C)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845373040 588228457 /nfs/dbraw/zinc/22/84/57/588228457.db2.gz MTUJBCCPGVHNFR-RQJHMYQMSA-N -1 3 221.278 0.020 20 0 BCADHM CCCCCCOC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845372036 588228459 /nfs/dbraw/zinc/22/84/59/588228459.db2.gz XTAAUKDQEFLERF-VIFPVBQESA-N -1 3 249.332 0.802 20 0 BCADHM CC1(OC(=O)[C@@H]2CCS(=O)(=O)[N-]2)CCCC1 ZINC000845488607 588230538 /nfs/dbraw/zinc/23/05/38/588230538.db2.gz WLOIGJAMPRTHOQ-QMMMGPOBSA-N -1 3 247.316 0.554 20 0 BCADHM CCC[C@@H](CC)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845493371 588230594 /nfs/dbraw/zinc/23/05/94/588230594.db2.gz INGUOGKNGMWWIQ-BDAKNGLRSA-N -1 3 249.332 0.800 20 0 BCADHM CCC[C@H](C)COC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845528744 588232408 /nfs/dbraw/zinc/23/24/08/588232408.db2.gz GATLRKXKYZWAJV-IUCAKERBSA-N -1 3 249.332 0.658 20 0 BCADHM CC1CC(OC(=O)[C@H]2CCS(=O)(=O)[N-]2)C1 ZINC000845575621 588233735 /nfs/dbraw/zinc/23/37/35/588233735.db2.gz XPWHGZZAKFYTSI-KAVNDROISA-N -1 3 233.289 0.020 20 0 BCADHM O=C(OC1CC2(CC2)C1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845586516 588233996 /nfs/dbraw/zinc/23/39/96/588233996.db2.gz VWYCXROHJMYUDA-QMMMGPOBSA-N -1 3 245.300 0.164 20 0 BCADHM O=S(=O)([N-]C[C@H]1COCO1)c1cccs1 ZINC000867398670 588247133 /nfs/dbraw/zinc/24/71/33/588247133.db2.gz DQPKPZKYNCPNQR-ZETCQYMHSA-N -1 3 249.313 0.399 20 0 BCADHM CC[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)[N-]1)C(C)C ZINC000845849492 588247346 /nfs/dbraw/zinc/24/73/46/588247346.db2.gz BMUQSLKJPCBCKF-DTWKUNHWSA-N -1 3 249.332 0.656 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000845913496 588250410 /nfs/dbraw/zinc/25/04/10/588250410.db2.gz QWMPHFNDCQKJOY-BDAKNGLRSA-N -1 3 226.276 0.346 20 0 BCADHM CCO[N-]C(=O)CNCc1cc2cccnc2o1 ZINC000846078894 588255478 /nfs/dbraw/zinc/25/54/78/588255478.db2.gz BYZOSOASDSYFGZ-UHFFFAOYSA-N -1 3 249.270 0.985 20 0 BCADHM CCO[N-]C(=O)CNCc1cnc(CC)nc1 ZINC000846079086 588255545 /nfs/dbraw/zinc/25/55/45/588255545.db2.gz DNRNDAOCUASPFX-UHFFFAOYSA-N -1 3 238.291 0.196 20 0 BCADHM CCO[N-]C(=O)CNC1CC(OCC)C1 ZINC000846091664 588255915 /nfs/dbraw/zinc/25/59/15/588255915.db2.gz NLYFMSRSJREXDL-UHFFFAOYSA-N -1 3 216.281 0.211 20 0 BCADHM Cc1cc(CC(=O)[N-]OCCN(C)C)on1 ZINC000846232023 588261953 /nfs/dbraw/zinc/26/19/53/588261953.db2.gz NLNUZNOCSVHYRD-UHFFFAOYSA-N -1 3 227.264 0.135 20 0 BCADHM COCCN(CCC(=O)[O-])C[C@H]1CC[C@H](C)O1 ZINC000846270424 588262574 /nfs/dbraw/zinc/26/25/74/588262574.db2.gz WVULIRCJTCWLLJ-WDEREUQCSA-N -1 3 245.319 0.977 20 0 BCADHM COCCN(CCOC(C)C)CCC(=O)[O-] ZINC000846269120 588263605 /nfs/dbraw/zinc/26/36/05/588263605.db2.gz FWIJFFLOGZOARM-UHFFFAOYSA-N -1 3 233.308 0.835 20 0 BCADHM C=C=CC[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000867469054 588265370 /nfs/dbraw/zinc/26/53/70/588265370.db2.gz BEROXWWBFCHDSY-CYBMUJFWSA-N -1 3 238.334 0.280 20 0 BCADHM COC(=O)[C@H](CCF)[N-]C(=O)C(F)F ZINC000846432150 588266003 /nfs/dbraw/zinc/26/60/03/588266003.db2.gz IUTAQCXQUPZMRE-BYPYZUCNSA-N -1 3 213.155 0.269 20 0 BCADHM C[C@H]1C[C@@H](C(=O)[N-]OC2CCN(C)CC2)CO1 ZINC000846650010 588280818 /nfs/dbraw/zinc/28/08/18/588280818.db2.gz LCFFTCVMUOQHJB-VHSXEESVSA-N -1 3 242.319 0.553 20 0 BCADHM CCOC(=O)c1cnc(NC(=O)CN(C)C)[n-]1 ZINC000846651537 588280889 /nfs/dbraw/zinc/28/08/89/588280889.db2.gz VPIIFTLDSGRSRX-UHFFFAOYSA-N -1 3 240.263 0.087 20 0 BCADHM CCOC(=O)c1c[n-]c(NC(=O)CN(C)C)n1 ZINC000846651537 588280890 /nfs/dbraw/zinc/28/08/90/588280890.db2.gz VPIIFTLDSGRSRX-UHFFFAOYSA-N -1 3 240.263 0.087 20 0 BCADHM O=S(=O)([N-]C(CF)CF)N1CCCC1 ZINC000885420956 588298111 /nfs/dbraw/zinc/29/81/11/588298111.db2.gz PINRGSKPCBVKPL-UHFFFAOYSA-N -1 3 228.264 0.224 20 0 BCADHM CCO[N-]C(=O)c1cc(OC)cnc1F ZINC000847312012 588310607 /nfs/dbraw/zinc/31/06/07/588310607.db2.gz FHVRVNPHKZYJDM-UHFFFAOYSA-N -1 3 214.196 0.911 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)O[C@H]1CNOC1 ZINC000848060222 588352364 /nfs/dbraw/zinc/35/23/64/588352364.db2.gz NXQQESJZZUESLA-YOLVWIGZSA-N -1 3 236.227 0.247 20 0 BCADHM COCCCO[N-]C(=O)CN1CC[C@H](C)C1 ZINC000848067533 588353352 /nfs/dbraw/zinc/35/33/52/588353352.db2.gz GHUISZXWBUNCFP-JTQLQIEISA-N -1 3 230.308 0.413 20 0 BCADHM NC(=O)[C@H]1CC[C@H]1C(=O)[N-]OCCC1CC1 ZINC000848129215 588359294 /nfs/dbraw/zinc/35/92/94/588359294.db2.gz PGNGSNKXKHZKRY-DTWKUNHWSA-N -1 3 226.276 0.346 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]OC(C)(C)CO)C1 ZINC000848162847 588362383 /nfs/dbraw/zinc/36/23/83/588362383.db2.gz TUUJAVFSNKBELV-VIFPVBQESA-N -1 3 230.308 0.147 20 0 BCADHM CC1=NC(=O)NC1C(=O)[N-]O[C@@H](CO)C(C)C ZINC000848196747 588365261 /nfs/dbraw/zinc/36/52/61/588365261.db2.gz QCMGDRXWVQVWMP-ZETCQYMHSA-N -1 3 243.263 0.102 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CN1CC[C@H](C)C1 ZINC000848197464 588365325 /nfs/dbraw/zinc/36/53/25/588365325.db2.gz ZFYIITBJZZDGGL-QWRGUYRKSA-N -1 3 244.335 0.393 20 0 BCADHM O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000095219042 598852137 /nfs/dbraw/zinc/85/21/37/598852137.db2.gz JBVLLRLESHWWKQ-QMMMGPOBSA-N -1 3 249.249 0.577 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1cnsn1 ZINC000848752924 588411782 /nfs/dbraw/zinc/41/17/82/588411782.db2.gz OMSYTYJJLXDJRY-UHFFFAOYSA-N -1 3 225.233 0.322 20 0 BCADHM CCc1nocc1COC(=O)c1cnn[n-]1 ZINC000848759076 588412646 /nfs/dbraw/zinc/41/26/46/588412646.db2.gz QXSOXLZLICSAQC-UHFFFAOYSA-N -1 3 222.204 0.712 20 0 BCADHM CCc1nocc1COC(=O)c1c[n-]nn1 ZINC000848759076 588412647 /nfs/dbraw/zinc/41/26/47/588412647.db2.gz QXSOXLZLICSAQC-UHFFFAOYSA-N -1 3 222.204 0.712 20 0 BCADHM CN(C)C(=O)C[N-]c1nnc(C(C)(C)C)o1 ZINC000849163010 588458213 /nfs/dbraw/zinc/45/82/13/588458213.db2.gz CMHRGMIQFYAPAL-UHFFFAOYSA-N -1 3 226.280 0.867 20 0 BCADHM CC(=O)[C@H](C)CCOC(=O)c1n[n-]nc1C ZINC000849768443 588495969 /nfs/dbraw/zinc/49/59/69/588495969.db2.gz NMWUSWFETHDJON-ZCFIWIBFSA-N -1 3 225.248 0.885 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCO[C@@H]1CC1(F)F ZINC000849769541 588496343 /nfs/dbraw/zinc/49/63/43/588496343.db2.gz YVWXGNPBRIRCJW-ZCFIWIBFSA-N -1 3 247.201 0.694 20 0 BCADHM CO[C@H](COC(=O)c1cnn[n-]1)C1CCC1 ZINC000849776271 588496947 /nfs/dbraw/zinc/49/69/47/588496947.db2.gz HJZHWPRQSPIRID-SECBINFHSA-N -1 3 225.248 0.777 20 0 BCADHM CO[C@H](COC(=O)c1c[n-]nn1)C1CCC1 ZINC000849776271 588496948 /nfs/dbraw/zinc/49/69/48/588496948.db2.gz HJZHWPRQSPIRID-SECBINFHSA-N -1 3 225.248 0.777 20 0 BCADHM Cc1nocc1COC(=O)c1cnn[n-]1 ZINC000849777071 588497127 /nfs/dbraw/zinc/49/71/27/588497127.db2.gz TXORGCJSNVJSDH-UHFFFAOYSA-N -1 3 208.177 0.458 20 0 BCADHM Cc1nocc1COC(=O)c1c[n-]nn1 ZINC000849777071 588497129 /nfs/dbraw/zinc/49/71/29/588497129.db2.gz TXORGCJSNVJSDH-UHFFFAOYSA-N -1 3 208.177 0.458 20 0 BCADHM OC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000095145311 598856595 /nfs/dbraw/zinc/85/65/95/598856595.db2.gz ZRHYHTYCLJELGP-VIFPVBQESA-N -1 3 245.286 0.685 20 0 BCADHM Cc1cc(NC([O-])=NOCCO)ccc1N ZINC000850774651 588566157 /nfs/dbraw/zinc/56/61/57/588566157.db2.gz KJDYBDHGKYCBOI-UHFFFAOYSA-N -1 3 225.248 0.623 20 0 BCADHM Cc1cc(NC(=O)[N-]OCCO)ccc1N ZINC000850774651 588566158 /nfs/dbraw/zinc/56/61/58/588566158.db2.gz KJDYBDHGKYCBOI-UHFFFAOYSA-N -1 3 225.248 0.623 20 0 BCADHM C[C@H](C(=O)[O-])N(C[C@H](O)C(F)(F)F)C1CC1 ZINC000851706444 588614875 /nfs/dbraw/zinc/61/48/75/588614875.db2.gz OAFLSSNNGGFSEV-VDTYLAMSSA-N -1 3 241.209 0.847 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)CC1(O)CCCCC1 ZINC000852191664 588671047 /nfs/dbraw/zinc/67/10/47/588671047.db2.gz MXDURSSZHSNFGA-UHFFFAOYSA-N -1 3 241.291 0.902 20 0 BCADHM CO[C@@H]1CC[C@H](N(C)Cc2n[n-]c(=O)o2)C1 ZINC000852187809 588671160 /nfs/dbraw/zinc/67/11/60/588671160.db2.gz UKZPXAFKTGZGNS-JGVFFNPUSA-N -1 3 227.264 0.775 20 0 BCADHM Cc1nnc(CN(C)Cc2nc(C)cc(=O)[n-]2)o1 ZINC000852471011 588683135 /nfs/dbraw/zinc/68/31/35/588683135.db2.gz AWFILDPGYMSFAC-UHFFFAOYSA-N -1 3 249.274 0.814 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CCOC(=O)N1 ZINC000860736031 589117331 /nfs/dbraw/zinc/11/73/31/589117331.db2.gz VXIUHCVDBPQKTN-ZCFIWIBFSA-N -1 3 237.215 0.224 20 0 BCADHM CC(C)[C@H](NC=O)C(=O)Nc1ncccc1[O-] ZINC000860735770 589117473 /nfs/dbraw/zinc/11/74/73/589117473.db2.gz OSOHXRUJEYWUOY-VIFPVBQESA-N -1 3 237.259 0.496 20 0 BCADHM OCCCSc1cc(-c2nnn[n-]2)ccn1 ZINC000095184115 598860339 /nfs/dbraw/zinc/86/03/39/598860339.db2.gz POJUYDBDIRDYFB-UHFFFAOYSA-N -1 3 237.288 0.736 20 0 BCADHM OCCCSc1cc(-c2nn[n-]n2)ccn1 ZINC000095184115 598860340 /nfs/dbraw/zinc/86/03/40/598860340.db2.gz POJUYDBDIRDYFB-UHFFFAOYSA-N -1 3 237.288 0.736 20 0 BCADHM CSCCO[N-]C(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC000861470992 589166590 /nfs/dbraw/zinc/16/65/90/589166590.db2.gz PUIDMHYBUUEWAT-HTQZYQBOSA-N -1 3 246.332 0.312 20 0 BCADHM C[C@H](C(=O)[N-]OC/C=C/Cl)[C@@H]1CCC(=O)N1 ZINC000861782679 589178144 /nfs/dbraw/zinc/17/81/44/589178144.db2.gz HGFJDTNECHZSHF-ZASJQLQOSA-N -1 3 246.694 0.701 20 0 BCADHM CC1(C)[C@@H](O)CCN1C(=O)c1cc(=O)[n-]cn1 ZINC000861788420 589178566 /nfs/dbraw/zinc/17/85/66/589178566.db2.gz HRNJORGHAHUTLX-QMMMGPOBSA-N -1 3 237.259 0.168 20 0 BCADHM C[C@@H](C(=O)[N-]OCCC1CC1)[C@H]1CCC(=O)N1 ZINC000861823239 589179818 /nfs/dbraw/zinc/17/98/18/589179818.db2.gz HCJLEFUIDXJMIO-PSASIEDQSA-N -1 3 240.303 0.749 20 0 BCADHM O=C(N[C@@H]1CCn2ccnc21)c1cc(=O)[n-]cn1 ZINC000861854680 589180760 /nfs/dbraw/zinc/18/07/60/589180760.db2.gz ZHCBPZGHFRAKQT-SSDOTTSWSA-N -1 3 245.242 0.254 20 0 BCADHM CCc1nc(CNC(=O)c2cc(=O)[n-]cn2)co1 ZINC000861917738 589183607 /nfs/dbraw/zinc/18/36/07/589183607.db2.gz WOOIGKQGMHGTTH-UHFFFAOYSA-N -1 3 248.242 0.663 20 0 BCADHM O=C(NC[C@H]1COCO1)c1cccc2nn[n-]c21 ZINC000861974961 589187509 /nfs/dbraw/zinc/18/75/09/589187509.db2.gz FUVUGFUFZYDUHK-ZETCQYMHSA-N -1 3 248.242 0.061 20 0 BCADHM O=C(NC[C@H]1COCO1)c1cccc2[n-]nnc21 ZINC000861974961 589187510 /nfs/dbraw/zinc/18/75/10/589187510.db2.gz FUVUGFUFZYDUHK-ZETCQYMHSA-N -1 3 248.242 0.061 20 0 BCADHM O=C(NC[C@H]1COCO1)c1cccc2n[n-]nc21 ZINC000861974961 589187511 /nfs/dbraw/zinc/18/75/11/589187511.db2.gz FUVUGFUFZYDUHK-ZETCQYMHSA-N -1 3 248.242 0.061 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1COCO1 ZINC000861982657 589189523 /nfs/dbraw/zinc/18/95/23/589189523.db2.gz IWSZGJIBGQVGCC-SECBINFHSA-N -1 3 237.255 0.803 20 0 BCADHM O=C(Nc1nccn1C1CC1)c1cc(=O)[n-]cn1 ZINC000862004971 589190173 /nfs/dbraw/zinc/19/01/73/589190173.db2.gz XHIRMXVSEAUEET-UHFFFAOYSA-N -1 3 245.242 0.966 20 0 BCADHM Cc1ccnn1CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000862045119 589190553 /nfs/dbraw/zinc/19/05/53/589190553.db2.gz QUJACTBZBDODKG-MRVPVSSYSA-N -1 3 238.316 0.799 20 0 BCADHM Cc1cncn1CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000862045948 589190617 /nfs/dbraw/zinc/19/06/17/589190617.db2.gz UWZNZPXUGSWBLD-QMMMGPOBSA-N -1 3 238.316 0.799 20 0 BCADHM CCC(F)(F)C(=O)[N-]CC(=O)N1CCCO1 ZINC000862085987 589191410 /nfs/dbraw/zinc/19/14/10/589191410.db2.gz VRQUHOKHHJQHRX-UHFFFAOYSA-N -1 3 236.218 0.312 20 0 BCADHM Cc1cccc(C(=O)NN2CCOC2=O)c1[O-] ZINC000862698001 589232891 /nfs/dbraw/zinc/23/28/91/589232891.db2.gz AJANJRLAYDMPKE-UHFFFAOYSA-N -1 3 236.227 0.798 20 0 BCADHM CC(C)c1cc(C(=O)[N-]N2CCOC2=O)n[nH]1 ZINC000862698865 589233520 /nfs/dbraw/zinc/23/35/20/589233520.db2.gz INIJWPREYHADKJ-UHFFFAOYSA-N -1 3 238.247 0.630 20 0 BCADHM Cc1cc(C(=O)[N-]N2CCOC2=O)c(C)nn1 ZINC000862701662 589234417 /nfs/dbraw/zinc/23/44/17/589234417.db2.gz GLWJUPUOOGRIFW-UHFFFAOYSA-N -1 3 236.231 0.190 20 0 BCADHM CC(C)[C@@H](F)C(=O)[N-]N1CCOC1=O ZINC000862702265 589234458 /nfs/dbraw/zinc/23/44/58/589234458.db2.gz DZLFJYHBKUBQTK-ZCFIWIBFSA-N -1 3 204.201 0.464 20 0 BCADHM CC(F)(F)CC(=O)[N-]N1CCOC1=O ZINC000862703958 589235287 /nfs/dbraw/zinc/23/52/87/589235287.db2.gz WRGXMJHOESVTHI-UHFFFAOYSA-N -1 3 208.164 0.515 20 0 BCADHM Cc1nc(C)c(CC(=O)Nn2cccn2)c(=O)[n-]1 ZINC000862765593 589238677 /nfs/dbraw/zinc/23/86/77/589238677.db2.gz DSQRBGHIDNNPBO-UHFFFAOYSA-N -1 3 247.258 0.308 20 0 BCADHM CSCCO[N-]C(=O)CN(C)C1CCC1 ZINC000863911742 589325282 /nfs/dbraw/zinc/32/52/82/589325282.db2.gz SHOQRVHUGKNNDO-UHFFFAOYSA-N -1 3 232.349 0.882 20 0 BCADHM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCNC(C)(C)C1 ZINC000864612331 589383617 /nfs/dbraw/zinc/38/36/17/589383617.db2.gz XZNAOTPCANJSLY-PELKAZGASA-N -1 3 240.303 0.308 20 0 BCADHM CCO[N-]C(=O)C[C@@H]1CCOC[C@@H]1OCC ZINC000864689525 589390170 /nfs/dbraw/zinc/39/01/70/589390170.db2.gz MWTBTOCIFVTJME-UWVGGRQHSA-N -1 3 231.292 0.886 20 0 BCADHM CCO[N-]C(=O)C[C@@H]1CCOC[C@H]1OCC ZINC000864689526 589390186 /nfs/dbraw/zinc/39/01/86/589390186.db2.gz MWTBTOCIFVTJME-VHSXEESVSA-N -1 3 231.292 0.886 20 0 BCADHM CO[N-]C(=O)CCCOC1CCOCC1 ZINC000864749456 589392746 /nfs/dbraw/zinc/39/27/46/589392746.db2.gz ZFIQJEJRTSHUNX-UHFFFAOYSA-N -1 3 217.265 0.640 20 0 BCADHM CCO[C@H]1COCC[C@@H]1CC(=O)[N-]OC ZINC000864748993 589392773 /nfs/dbraw/zinc/39/27/73/589392773.db2.gz UGHJAXOKWVINPF-BDAKNGLRSA-N -1 3 217.265 0.496 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2CCC(=O)O2)[n-]1 ZINC000865058946 589407192 /nfs/dbraw/zinc/40/71/92/589407192.db2.gz BDTUDQBXBALCKJ-SCSAIBSYSA-N -1 3 242.260 0.171 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2CCC(=O)O2)n1 ZINC000865058946 589407194 /nfs/dbraw/zinc/40/71/94/589407194.db2.gz BDTUDQBXBALCKJ-SCSAIBSYSA-N -1 3 242.260 0.171 20 0 BCADHM CSc1nc(NC(=O)[C@H]2CCC(=O)O2)n[n-]1 ZINC000865058946 589407196 /nfs/dbraw/zinc/40/71/96/589407196.db2.gz BDTUDQBXBALCKJ-SCSAIBSYSA-N -1 3 242.260 0.171 20 0 BCADHM COc1cc(C[N-]C(=O)C(C)(F)F)on1 ZINC000866046304 589473889 /nfs/dbraw/zinc/47/38/89/589473889.db2.gz WNPRYTDUNVKRGY-UHFFFAOYSA-N -1 3 220.175 0.955 20 0 BCADHM CC[C@@H](C[C@H](C)O)N=c1ncnc2[nH][n-]cc1-2 ZINC000866300869 589484886 /nfs/dbraw/zinc/48/48/86/589484886.db2.gz YKJXLZWFMIUORX-YUMQZZPRSA-N -1 3 235.291 0.688 20 0 BCADHM CC[C@@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000866370249 589486700 /nfs/dbraw/zinc/48/67/00/589486700.db2.gz UHDSQOYXADMUHX-UHLUBPPHSA-N -1 3 242.366 0.737 20 0 BCADHM CCCC[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000866378392 589488754 /nfs/dbraw/zinc/48/87/54/589488754.db2.gz PPPUOJPEDGCZCD-CYBMUJFWSA-N -1 3 242.366 0.739 20 0 BCADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866495339 589497237 /nfs/dbraw/zinc/49/72/37/589497237.db2.gz BDUZFQAVMNYKDD-RNFRBKRXSA-N -1 3 240.350 0.204 20 0 BCADHM COc1c(F)cccc1S(=O)(=O)[N-]CCO ZINC000866831137 589520144 /nfs/dbraw/zinc/52/01/44/589520144.db2.gz HKJHUAIMZFQMBL-UHFFFAOYSA-N -1 3 249.263 0.105 20 0 BCADHM O=C(C[C@H]1Cc2ccccc2O1)[N-]OCCO ZINC000867496034 589522678 /nfs/dbraw/zinc/52/26/78/589522678.db2.gz XHQUGGWHMUBOQJ-SNVBAGLBSA-N -1 3 237.255 0.420 20 0 BCADHM CN1C(=O)N=CC1C(=O)[N-]OCC1CC1 ZINC000868553369 589563820 /nfs/dbraw/zinc/56/38/20/589563820.db2.gz GFATVBNGCZYNOK-UHFFFAOYSA-N -1 3 211.221 0.197 20 0 BCADHM COC/C=C/C(=O)[N-]OC(C)(C)CO ZINC000868660176 589570828 /nfs/dbraw/zinc/57/08/28/589570828.db2.gz MPRMYTOZBSVSBV-SNAWJCMRSA-N -1 3 203.238 0.008 20 0 BCADHM CC(C)[C@@H](F)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869023231 589585431 /nfs/dbraw/zinc/58/54/31/589585431.db2.gz UQANNSSWYAQQFP-MRVPVSSYSA-N -1 3 243.238 0.498 20 0 BCADHM NC(=O)COC(=O)c1c(Cl)[n-]nc1C1CC1 ZINC000869901775 589636928 /nfs/dbraw/zinc/63/69/28/589636928.db2.gz PRZGUBMBMUSNNN-UHFFFAOYSA-N -1 3 243.650 0.583 20 0 BCADHM NC(=O)COC(=O)c1c(Cl)n[n-]c1C1CC1 ZINC000869901775 589636929 /nfs/dbraw/zinc/63/69/29/589636929.db2.gz PRZGUBMBMUSNNN-UHFFFAOYSA-N -1 3 243.650 0.583 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NC1COC1 ZINC000870869483 589692944 /nfs/dbraw/zinc/69/29/44/589692944.db2.gz VLXSNPIWGAHQDO-OWOJBTEDSA-N -1 3 220.228 0.315 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@](C)(CC)C(N)=O ZINC000888544448 589701001 /nfs/dbraw/zinc/70/10/01/589701001.db2.gz QTSKGELXBCLHSK-QMMMGPOBSA-N -1 3 222.235 0.802 20 0 BCADHM CCOC(=O)c1cccc(CO[N-]C(C)=O)n1 ZINC000871729092 589799438 /nfs/dbraw/zinc/79/94/38/589799438.db2.gz AWEXTUGZTMVHJX-UHFFFAOYSA-N -1 3 238.243 0.826 20 0 BCADHM CC(=O)[N-]OCCc1ccc(C(N)=O)cc1 ZINC000871729277 589800019 /nfs/dbraw/zinc/80/00/19/589800019.db2.gz ILGDNKGTQPUTFQ-UHFFFAOYSA-N -1 3 222.244 0.396 20 0 BCADHM Cc1oc(=O)n(CC(=O)NCC2CCC2)c1[O-] ZINC000871781418 589816217 /nfs/dbraw/zinc/81/62/17/589816217.db2.gz DSPCSUMACIRCAU-SSDOTTSWSA-N -1 3 240.259 0.270 20 0 BCADHM Cc1oc(=O)n(CC(=O)NC2CCCC2)c1[O-] ZINC000871782404 589816952 /nfs/dbraw/zinc/81/69/52/589816952.db2.gz OMJZMXJILGBWGB-ZETCQYMHSA-N -1 3 240.259 0.413 20 0 BCADHM Cc1oc(=O)n(Cc2nc(C3CC3)no2)c1[O-] ZINC000871782514 589817057 /nfs/dbraw/zinc/81/70/57/589817057.db2.gz RDTHMSQEIYKECR-YFKPBYRVSA-N -1 3 237.215 0.814 20 0 BCADHM CCN(CC)C(=O)Cn1c([O-])c(C)oc1=O ZINC000871782578 589817162 /nfs/dbraw/zinc/81/71/62/589817162.db2.gz SMXCBDSILXXOOV-SSDOTTSWSA-N -1 3 228.248 0.222 20 0 BCADHM CC[S@](=O)CCNC(=O)c1ccccc1[O-] ZINC000123830411 589825505 /nfs/dbraw/zinc/82/55/05/589825505.db2.gz HWFLHLJEAUYQOF-MRXNPFEDSA-N -1 3 241.312 0.891 20 0 BCADHM Cc1[n-]n(C[C@@H]2CCCO2)c(=O)c1F ZINC000871948941 589835181 /nfs/dbraw/zinc/83/51/81/589835181.db2.gz IUXMRUNDAQNFQF-YUMQZZPRSA-N -1 3 200.213 0.722 20 0 BCADHM Cc1[n-]n(C[C@H]2CCCO2)c(=O)c1F ZINC000871948940 589835376 /nfs/dbraw/zinc/83/53/76/589835376.db2.gz IUXMRUNDAQNFQF-SFYZADRCSA-N -1 3 200.213 0.722 20 0 BCADHM O=C(N[C@]12CCC[C@H]1OCC2)c1cc(=O)[n-]cn1 ZINC000872284024 589906022 /nfs/dbraw/zinc/90/60/22/589906022.db2.gz NXWPPERRUQPJKQ-SKDRFNHKSA-N -1 3 249.270 0.624 20 0 BCADHM COCCNC(=O)C[N-]c1nnc(C(C)C)o1 ZINC000872397707 589934232 /nfs/dbraw/zinc/93/42/32/589934232.db2.gz WQJCNIGWHMKPJV-UHFFFAOYSA-N -1 3 242.279 0.368 20 0 BCADHM CCN1CN(c2cc(Cl)n[n-]c2=O)CC1=O ZINC000872519297 589946485 /nfs/dbraw/zinc/94/64/85/589946485.db2.gz GLBLKIQNQOWGNW-UHFFFAOYSA-N -1 3 242.666 0.462 20 0 BCADHM O=c1[n-]nc(Cl)cc1N[C@H]1[C@@H]2COC[C@@H]21 ZINC000872532325 589947693 /nfs/dbraw/zinc/94/76/93/589947693.db2.gz FUQADUPTMJYRBV-FBMACHJBSA-N -1 3 227.651 0.892 20 0 BCADHM COC(=O)[C@H](C)N(C)c1cc(Cl)n[n-]c1=O ZINC000872528285 589947819 /nfs/dbraw/zinc/94/78/19/589947819.db2.gz GVALPYRQXZDRCM-YFKPBYRVSA-N -1 3 245.666 0.833 20 0 BCADHM C[C@@H]1[C@H](O)CCN1c1cc(Cl)n[n-]c1=O ZINC000872566317 589951705 /nfs/dbraw/zinc/95/17/05/589951705.db2.gz JDHRIQKHTJOKHP-IYSWYEEDSA-N -1 3 229.667 0.795 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@H]1C[C@H](O)C1 ZINC000872579827 589954486 /nfs/dbraw/zinc/95/44/86/589954486.db2.gz ILSQCSGZUJOQBH-ZKCHVHJHSA-N -1 3 246.288 0.032 20 0 BCADHM O=c1[n-]nc(Cl)cc1N[C@H]1C[C@H](O)C1 ZINC000872605405 589955925 /nfs/dbraw/zinc/95/59/25/589955925.db2.gz VKDBNDPZXKKMSR-URHBZAFASA-N -1 3 215.640 0.771 20 0 BCADHM Cc1ccc([O-])c(CNCC[S@](C)=O)n1 ZINC000124162485 589957620 /nfs/dbraw/zinc/95/76/20/589957620.db2.gz MRGMYIMJOOSLSQ-OAHLLOKOSA-N -1 3 228.317 0.564 20 0 BCADHM O=c1nc(N2CCNCC2)cc(Cl)[n-]1 ZINC000872772654 589967689 /nfs/dbraw/zinc/96/76/89/589967689.db2.gz XVNMGKNEUJTWGP-UHFFFAOYSA-N -1 3 214.656 0.245 20 0 BCADHM C[C@@H](N)[C@@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000872776998 589968885 /nfs/dbraw/zinc/96/88/85/589968885.db2.gz QFEKHBXYVJQUFR-RFZPGFLSSA-N -1 3 216.672 0.983 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCN(C)c2ncccc2C1 ZINC000873648743 590066718 /nfs/dbraw/zinc/06/67/18/590066718.db2.gz NDUZOIUGVMTVLO-VIFPVBQESA-N -1 3 235.287 0.807 20 0 BCADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000873838048 590073613 /nfs/dbraw/zinc/07/36/13/590073613.db2.gz PJLXSQZRZHJYFU-NKWVEPMBSA-N -1 3 242.300 0.405 20 0 BCADHM COC(OC)C(=O)[N-]c1nnc2ccccn21 ZINC000874091740 590091559 /nfs/dbraw/zinc/09/15/59/590091559.db2.gz VMFIWLBFHFREQR-UHFFFAOYSA-N -1 3 236.231 0.287 20 0 BCADHM CCOCCON=C([O-])Nc1ncccn1 ZINC000888692634 590183664 /nfs/dbraw/zinc/18/36/64/590183664.db2.gz GHXRGUYUQXKSBO-UHFFFAOYSA-N -1 3 226.236 0.566 20 0 BCADHM CCOCCO[N-]C(=O)Nc1ncccn1 ZINC000888692634 590183665 /nfs/dbraw/zinc/18/36/65/590183665.db2.gz GHXRGUYUQXKSBO-UHFFFAOYSA-N -1 3 226.236 0.566 20 0 BCADHM CC(C)[C@@H](CO)ON=C([O-])Nc1ncccn1 ZINC000888702934 590189056 /nfs/dbraw/zinc/18/90/56/590189056.db2.gz ZWCGFFJJCXJTDJ-MRVPVSSYSA-N -1 3 240.263 0.547 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)Nc1ncccn1 ZINC000888702934 590189057 /nfs/dbraw/zinc/18/90/57/590189057.db2.gz ZWCGFFJJCXJTDJ-MRVPVSSYSA-N -1 3 240.263 0.547 20 0 BCADHM CO[N-]C(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000876706560 590232213 /nfs/dbraw/zinc/23/22/13/590232213.db2.gz XROVRVFBHGZCPL-JTQLQIEISA-N -1 3 224.260 0.243 20 0 BCADHM CC[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)N(C)C ZINC000126506818 590322946 /nfs/dbraw/zinc/32/29/46/590322946.db2.gz BCUTWQJGDZXLRK-VHSXEESVSA-N -1 3 230.308 0.901 20 0 BCADHM CCO[N-]C(=O)CNCc1cc(OC)ns1 ZINC000877613607 590373295 /nfs/dbraw/zinc/37/32/95/590373295.db2.gz NKTUEWIYNRSPCG-UHFFFAOYSA-N -1 3 245.304 0.309 20 0 BCADHM CCO[N-]C(=O)CNCc1cccc(F)c1N ZINC000877613412 590373640 /nfs/dbraw/zinc/37/36/40/590373640.db2.gz IAESTVOXJGJSBR-UHFFFAOYSA-N -1 3 241.266 0.565 20 0 BCADHM COCCON=C([O-])Nc1cc(C)nc(C)n1 ZINC000880300202 590995300 /nfs/dbraw/zinc/99/53/00/590995300.db2.gz PDFSYHCAVJWBPH-UHFFFAOYSA-N -1 3 240.263 0.793 20 0 BCADHM COCCO[N-]C(=O)Nc1cc(C)nc(C)n1 ZINC000880300202 590995305 /nfs/dbraw/zinc/99/53/05/590995305.db2.gz PDFSYHCAVJWBPH-UHFFFAOYSA-N -1 3 240.263 0.793 20 0 BCADHM CN(C)c1cncc(NC([O-])=NOCCO)c1 ZINC000880361258 591010304 /nfs/dbraw/zinc/01/03/04/591010304.db2.gz ZMQIJGLZHHTSQZ-UHFFFAOYSA-N -1 3 240.263 0.193 20 0 BCADHM CN(C)c1cncc(NC(=O)[N-]OCCO)c1 ZINC000880361258 591010307 /nfs/dbraw/zinc/01/03/07/591010307.db2.gz ZMQIJGLZHHTSQZ-UHFFFAOYSA-N -1 3 240.263 0.193 20 0 BCADHM CC[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCOC1 ZINC000880470609 591052000 /nfs/dbraw/zinc/05/20/00/591052000.db2.gz PHUAHNJUACDLNT-IUCAKERBSA-N -1 3 240.307 0.805 20 0 BCADHM CC1(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)CC1 ZINC000880515071 591081941 /nfs/dbraw/zinc/08/19/41/591081941.db2.gz NZIQPENOSRPIPF-UHFFFAOYSA-N -1 3 239.300 0.887 20 0 BCADHM Cc1cc(NC([O-])=NOCC(N)=O)cs1 ZINC000880639057 591112221 /nfs/dbraw/zinc/11/22/21/591112221.db2.gz CRKGFJRUHKBKGR-UHFFFAOYSA-N -1 3 229.261 0.595 20 0 BCADHM Cc1cc(NC(=O)[N-]OCC(N)=O)cs1 ZINC000880639057 591112224 /nfs/dbraw/zinc/11/22/24/591112224.db2.gz CRKGFJRUHKBKGR-UHFFFAOYSA-N -1 3 229.261 0.595 20 0 BCADHM O=C(NC1CSC1)c1cc(=O)[n-]cn1 ZINC000880725913 591128370 /nfs/dbraw/zinc/12/83/70/591128370.db2.gz QFPNCSAWIPGHBE-UHFFFAOYSA-N -1 3 211.246 0.027 20 0 BCADHM O=c1[n-]c(=O)n(C/C=C\Cl)cc1Cl ZINC000211507064 591178682 /nfs/dbraw/zinc/17/86/82/591178682.db2.gz KBDSXYMPSZKWAG-UPHRSURJSA-N -1 3 221.043 0.943 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)n2cc([C@H](C)O)nn2)n1 ZINC000881357183 591195278 /nfs/dbraw/zinc/19/52/78/591195278.db2.gz PUZCIVFNXJLWLN-YUMQZZPRSA-N -1 3 249.274 0.745 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)n2cc([C@H](C)O)nn2)n1 ZINC000881357182 591195402 /nfs/dbraw/zinc/19/54/02/591195402.db2.gz PUZCIVFNXJLWLN-SFYZADRCSA-N -1 3 249.274 0.745 20 0 BCADHM CCc1cc(=O)[n-]c(Cn2cc([C@H](C)O)nn2)n1 ZINC000881357423 591195427 /nfs/dbraw/zinc/19/54/27/591195427.db2.gz UKABGXRFROLGKU-ZETCQYMHSA-N -1 3 249.274 0.438 20 0 BCADHM Cc1nn(C)cc1CN(C)[C@@H](C)C(=O)[O-] ZINC000128971469 591199175 /nfs/dbraw/zinc/19/91/75/591199175.db2.gz YINLMYMVFXBLOK-QMMMGPOBSA-N -1 3 211.265 0.633 20 0 BCADHM O=C1OCC[C@@H]1CCSCCc1nnn[n-]1 ZINC000882186895 591313130 /nfs/dbraw/zinc/31/31/30/591313130.db2.gz DGOIBEWJCSREKB-SSDOTTSWSA-N -1 3 242.304 0.429 20 0 BCADHM O=C1OCC[C@@H]1CCSCCc1nn[n-]n1 ZINC000882186895 591313131 /nfs/dbraw/zinc/31/31/31/591313131.db2.gz DGOIBEWJCSREKB-SSDOTTSWSA-N -1 3 242.304 0.429 20 0 BCADHM CCCOCSCCc1nnn[n-]1 ZINC000882190439 591313336 /nfs/dbraw/zinc/31/33/36/591313336.db2.gz FVQGAVXRMYSAIP-UHFFFAOYSA-N -1 3 202.283 0.860 20 0 BCADHM CCCOCSCCc1nn[n-]n1 ZINC000882190439 591313337 /nfs/dbraw/zinc/31/33/37/591313337.db2.gz FVQGAVXRMYSAIP-UHFFFAOYSA-N -1 3 202.283 0.860 20 0 BCADHM Cc1cnc(CSCCc2nnn[n-]2)cn1 ZINC000882188806 591313820 /nfs/dbraw/zinc/31/38/20/591313820.db2.gz VVYNYPXAQRASMK-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM Cc1cnc(CSCCc2nn[n-]n2)cn1 ZINC000882188806 591313824 /nfs/dbraw/zinc/31/38/24/591313824.db2.gz VVYNYPXAQRASMK-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM CC[C@H](SCCc1nnn[n-]1)C(C)=O ZINC000882190832 591313975 /nfs/dbraw/zinc/31/39/75/591313975.db2.gz PLSDZQMKKQNJDQ-ZETCQYMHSA-N -1 3 214.294 0.843 20 0 BCADHM CC[C@H](SCCc1nn[n-]n1)C(C)=O ZINC000882190832 591313978 /nfs/dbraw/zinc/31/39/78/591313978.db2.gz PLSDZQMKKQNJDQ-ZETCQYMHSA-N -1 3 214.294 0.843 20 0 BCADHM CCS(=O)(=O)[N-][C@@]1(C)CC(C)(C)OC1=O ZINC000882222845 591317555 /nfs/dbraw/zinc/31/75/55/591317555.db2.gz AJPYBOVRIVEENT-VIFPVBQESA-N -1 3 235.305 0.410 20 0 BCADHM C[C@H]1CCCCN1C(=O)Cn1c([O-])coc1=O ZINC000882272527 591323968 /nfs/dbraw/zinc/32/39/68/591323968.db2.gz RJPNNMYRRUGTBE-QMMMGPOBSA-N -1 3 240.259 0.366 20 0 BCADHM COc1cc(Cn2c([O-])coc2=O)ccn1 ZINC000882275370 591324267 /nfs/dbraw/zinc/32/42/67/591324267.db2.gz HSAYCQSBOFBGBN-UHFFFAOYSA-N -1 3 222.200 0.569 20 0 BCADHM CN(C)c1cc(Cn2c([O-])coc2=O)ccn1 ZINC000882275740 591324497 /nfs/dbraw/zinc/32/44/97/591324497.db2.gz QYQICBRIXMZQQC-UHFFFAOYSA-N -1 3 235.243 0.626 20 0 BCADHM CCOC(=O)CCCCn1c([O-])coc1=O ZINC000882275425 591324551 /nfs/dbraw/zinc/32/45/51/591324551.db2.gz JCSVZCPRWOAXPD-UHFFFAOYSA-N -1 3 229.232 0.699 20 0 BCADHM O=C(COc1ccccc1)Cn1c([O-])coc1=O ZINC000882276471 591324673 /nfs/dbraw/zinc/32/46/73/591324673.db2.gz PCSWAWRYSCWRSC-UHFFFAOYSA-N -1 3 249.222 0.613 20 0 BCADHM Fc1cnc(SCCc2nnn[n-]2)cn1 ZINC000882472866 591354487 /nfs/dbraw/zinc/35/44/87/591354487.db2.gz FRSJVPKZEOIPPY-UHFFFAOYSA-N -1 3 226.240 0.464 20 0 BCADHM Fc1cnc(SCCc2nn[n-]n2)cn1 ZINC000882472866 591354489 /nfs/dbraw/zinc/35/44/89/591354489.db2.gz FRSJVPKZEOIPPY-UHFFFAOYSA-N -1 3 226.240 0.464 20 0 BCADHM Cn1[n-]c(=O)c2c1CN(c1cc(F)ncn1)CC2 ZINC000882654096 591408104 /nfs/dbraw/zinc/40/81/04/591408104.db2.gz IJNVWVMKHJCFHJ-UHFFFAOYSA-N -1 3 249.249 0.618 20 0 BCADHM Cn1cc(C=Cc2nccc(=O)[n-]2)cn1 ZINC000131806580 591664803 /nfs/dbraw/zinc/66/48/03/591664803.db2.gz XBFDJNOUKANMKP-NSCUHMNNSA-N -1 3 202.217 0.674 20 0 BCADHM C/C(=C/CN1CCC(CO)CC1)C(=O)[O-] ZINC000214644674 591700857 /nfs/dbraw/zinc/70/08/57/591700857.db2.gz GMMIKNKENCNSGS-MBXJOHMKSA-N -1 3 213.277 0.722 20 0 BCADHM COc1nn(C)cc1C(=O)[N-]OCC1CC1 ZINC000883970731 591786600 /nfs/dbraw/zinc/78/66/00/591786600.db2.gz CLYFZHPOCFQLKZ-UHFFFAOYSA-N -1 3 225.248 0.500 20 0 BCADHM C[C@@H](C(N)=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135033863 591975411 /nfs/dbraw/zinc/97/54/11/591975411.db2.gz CLPYWUYAUIJYEH-IUCAKERBSA-N -1 3 242.319 0.683 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000135136174 591991581 /nfs/dbraw/zinc/99/15/81/591991581.db2.gz ZEBHVYPIPUMUOB-ONEGZZNKSA-N -1 3 225.248 0.128 20 0 BCADHM O=C([N-]OC1CCCC1)[C@@H]1CCC(=O)NC1 ZINC000135352844 592008184 /nfs/dbraw/zinc/00/81/84/592008184.db2.gz VSTZEWVISZDYNZ-MRVPVSSYSA-N -1 3 226.276 0.503 20 0 BCADHM CCO[C@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000885326965 592067151 /nfs/dbraw/zinc/06/71/51/592067151.db2.gz OZMXCKJIBPVGQZ-QMMMGPOBSA-N -1 3 237.259 0.433 20 0 BCADHM COc1cncc(S(=O)(=O)[N-][C@@H](C)CF)c1 ZINC000885408493 592075770 /nfs/dbraw/zinc/07/57/70/592075770.db2.gz FBAYLQWPCJOFCP-ZETCQYMHSA-N -1 3 248.279 0.727 20 0 BCADHM CCc1nn(C)cc1S(=O)(=O)[N-][C@@H](C)CF ZINC000885406304 592075878 /nfs/dbraw/zinc/07/58/78/592075878.db2.gz LBTSRXABEQOBBO-ZETCQYMHSA-N -1 3 249.311 0.619 20 0 BCADHM C[C@@H](CF)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000885409813 592076512 /nfs/dbraw/zinc/07/65/12/592076512.db2.gz ZFUBZDSVOIBKRF-LURJTMIESA-N -1 3 221.257 0.056 20 0 BCADHM Cc1cc(CS(=O)(=O)[N-][C@@H](C)CF)on1 ZINC000885410189 592076935 /nfs/dbraw/zinc/07/69/35/592076935.db2.gz FIIVRQRUABEQHL-ZETCQYMHSA-N -1 3 236.268 0.760 20 0 BCADHM CC(C)NS(=O)(=O)[N-]C(CF)CF ZINC000885416452 592077220 /nfs/dbraw/zinc/07/72/20/592077220.db2.gz FGTMJXRGHFSEAE-UHFFFAOYSA-N -1 3 216.253 0.126 20 0 BCADHM CC1CCN(CC(=O)[N-]C2=NCCS2)CC1 ZINC000136130009 592098195 /nfs/dbraw/zinc/09/81/95/592098195.db2.gz SLEPQBJUNDSGDC-UHFFFAOYSA-N -1 3 241.360 0.937 20 0 BCADHM CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000218290335 592153191 /nfs/dbraw/zinc/15/31/91/592153191.db2.gz ALANHEVQHCBAEZ-IVZWLZJFSA-N -1 3 242.319 0.696 20 0 BCADHM CCCCNC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000218290671 592153529 /nfs/dbraw/zinc/15/35/29/592153529.db2.gz QRUXJBCCEHERPY-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000886255913 592188017 /nfs/dbraw/zinc/18/80/17/592188017.db2.gz PKBVANWKRGPCFA-ZSPDNNCOSA-N -1 3 238.287 0.069 20 0 BCADHM C[C@H]1CO[C@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886271582 592192442 /nfs/dbraw/zinc/19/24/42/592192442.db2.gz NRCPUPBMTQYRHO-KCJUWKMLSA-N -1 3 236.271 0.828 20 0 BCADHM COC/C(C)=C/C(=O)NCc1cncc([O-])c1 ZINC000886272903 592193608 /nfs/dbraw/zinc/19/36/08/592193608.db2.gz GSSZIBREMJBFQB-YCRREMRBSA-N -1 3 236.271 0.996 20 0 BCADHM CC[C@@H](CO)C(=O)NCc1cncc([O-])c1 ZINC000886272964 592193637 /nfs/dbraw/zinc/19/36/37/592193637.db2.gz IFVZKYVOSYXKTC-VIFPVBQESA-N -1 3 224.260 0.422 20 0 BCADHM O=C(NCc1cncc([O-])c1)C1CSC1 ZINC000886273275 592193930 /nfs/dbraw/zinc/19/39/30/592193930.db2.gz SKQXSYVVBXMEMQ-UHFFFAOYSA-N -1 3 224.285 0.766 20 0 BCADHM CC[C@@H](O)[C@@H](C)C(=O)NCc1cncc([O-])c1 ZINC000886273063 592194153 /nfs/dbraw/zinc/19/41/53/592194153.db2.gz KXQGEFDWGWKTTI-LDYMZIIASA-N -1 3 238.287 0.810 20 0 BCADHM O=C(/C=C\[C@H]1CCOC1)NCc1cncc([O-])c1 ZINC000886275064 592194571 /nfs/dbraw/zinc/19/45/71/592194571.db2.gz MJDMYGACAVSEHK-SYBPUXJVSA-N -1 3 248.282 0.996 20 0 BCADHM O=C(/C=C/[C@@H]1CCOC1)NCc1cncc([O-])c1 ZINC000886275065 592194664 /nfs/dbraw/zinc/19/46/64/592194664.db2.gz MJDMYGACAVSEHK-TXXBHVLJSA-N -1 3 248.282 0.996 20 0 BCADHM O=C(CCc1c[nH]cn1)NCc1cncc([O-])c1 ZINC000886276328 592196212 /nfs/dbraw/zinc/19/62/12/592196212.db2.gz FCRICPQMRINOSM-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM O=C(CCc1cnc[nH]1)NCc1cncc([O-])c1 ZINC000886276328 592196214 /nfs/dbraw/zinc/19/62/14/592196214.db2.gz FCRICPQMRINOSM-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM C[C@@H]1OCC[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886277887 592196217 /nfs/dbraw/zinc/19/62/17/592196217.db2.gz FYXJMBGUPHEVGC-KWQFWETISA-N -1 3 236.271 0.828 20 0 BCADHM O=C(CCn1ccnn1)NCc1cncc([O-])c1 ZINC000886276550 592196415 /nfs/dbraw/zinc/19/64/15/592196415.db2.gz LYCCLEHADKBNGB-UHFFFAOYSA-N -1 3 247.258 0.085 20 0 BCADHM CC(C)(CO)C(=O)NCc1cncc([O-])c1 ZINC000886276740 592196484 /nfs/dbraw/zinc/19/64/84/592196484.db2.gz RGQVZPTYTGBUAY-UHFFFAOYSA-N -1 3 224.260 0.422 20 0 BCADHM C[C@H]1C[C@H](C(=O)NCc2cncc([O-])c2)CO1 ZINC000886276856 592196582 /nfs/dbraw/zinc/19/65/82/592196582.db2.gz XKTVFXCRGJXBDZ-WPRPVWTQSA-N -1 3 236.271 0.828 20 0 BCADHM CCn1nccc1C(=O)NCc1cncc([O-])c1 ZINC000886276549 592196665 /nfs/dbraw/zinc/19/66/65/592196665.db2.gz LXRWTVSEIBQNGN-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM CCC1(C(=O)NCc2cncc([O-])c2)COC1 ZINC000886278119 592196901 /nfs/dbraw/zinc/19/69/01/592196901.db2.gz OPBXGFUMWSZWTH-UHFFFAOYSA-N -1 3 236.271 0.830 20 0 BCADHM C[C@]1(C(=O)NCc2cncc([O-])c2)CCCO1 ZINC000886278367 592197533 /nfs/dbraw/zinc/19/75/33/592197533.db2.gz XGDYCNIMFZWESP-GFCCVEGCSA-N -1 3 236.271 0.973 20 0 BCADHM CCCN(C)CC(=O)NCc1cncc([O-])c1 ZINC000886279867 592198555 /nfs/dbraw/zinc/19/85/55/592198555.db2.gz MXGGZKWYACVTMH-UHFFFAOYSA-N -1 3 237.303 0.745 20 0 BCADHM COCCOCC(=O)NCc1cncc([O-])c1 ZINC000886280137 592198615 /nfs/dbraw/zinc/19/86/15/592198615.db2.gz WRUTXMFVQHPGBW-UHFFFAOYSA-N -1 3 240.259 0.066 20 0 BCADHM CO[C@H](C)C(=O)NCc1cncc([O-])c1 ZINC000886279907 592198670 /nfs/dbraw/zinc/19/86/70/592198670.db2.gz NVITZGWQOBYBCP-SSDOTTSWSA-N -1 3 210.233 0.438 20 0 BCADHM O=C(NCc1cncc([O-])c1)C1=COCCO1 ZINC000886283385 592199529 /nfs/dbraw/zinc/19/95/29/592199529.db2.gz SGPQYXNAKFNWQE-UHFFFAOYSA-N -1 3 236.227 0.292 20 0 BCADHM CC(=O)COC(=O)c1ccc([O-])cc1O ZINC000003417523 592261882 /nfs/dbraw/zinc/26/18/82/592261882.db2.gz NZOMLMJEUUSXDO-UHFFFAOYSA-N -1 3 210.185 0.844 20 0 BCADHM O=C(N[C@H]1C[C@H](CO)C1)c1ccc2n[n-]nc2c1 ZINC000886900380 592392921 /nfs/dbraw/zinc/39/29/21/592392921.db2.gz SQLNEHFMPOZSHB-XWEPSHTISA-N -1 3 246.270 0.459 20 0 BCADHM C[C@@H]1CCC[C@H](C)N1CC(=O)NCCC(=O)[O-] ZINC000140325316 592466465 /nfs/dbraw/zinc/46/64/65/592466465.db2.gz XZORSDOULUFXRP-AOOOYVTPSA-N -1 3 242.319 0.840 20 0 BCADHM C[C@@H]1CO[C@H](C(=O)[N-]C2=NCCS2)C1 ZINC000887914811 592558051 /nfs/dbraw/zinc/55/80/51/592558051.db2.gz RRDXEFXJSBDYCF-BQBZGAKWSA-N -1 3 214.290 0.630 20 0 BCADHM Cc1ccc(C(=O)N2CC[C@@H]2CO)c([O-])c1 ZINC000889146058 592585219 /nfs/dbraw/zinc/58/52/19/592585219.db2.gz PVSTZHDEOMFPEY-SECBINFHSA-N -1 3 221.256 0.907 20 0 BCADHM Cc1n[n-]nc1C(=O)Nc1ccnn1C1CC1 ZINC000889686655 592644911 /nfs/dbraw/zinc/64/49/11/592644911.db2.gz SYJAHONEUDVGGH-UHFFFAOYSA-N -1 3 232.247 0.897 20 0 BCADHM CO[C@@]1(C(=O)[N-]c2nncn2C)CCSC1 ZINC000889964828 592664821 /nfs/dbraw/zinc/66/48/21/592664821.db2.gz JHJBKEYKHPNELW-VIFPVBQESA-N -1 3 242.304 0.276 20 0 BCADHM C[C@@H]1CO[C@H](C(=O)[N-]c2nncn2C)C1 ZINC000889964503 592664953 /nfs/dbraw/zinc/66/49/53/592664953.db2.gz HVCOGLDJIMNNGV-BQBZGAKWSA-N -1 3 210.237 0.179 20 0 BCADHM C[C@H](O)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC000095153323 599052138 /nfs/dbraw/zinc/05/21/38/599052138.db2.gz QGTPYZBOLIANBL-QMMMGPOBSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@H](O)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC000095153323 599052141 /nfs/dbraw/zinc/05/21/41/599052141.db2.gz QGTPYZBOLIANBL-QMMMGPOBSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@H](C(=O)[O-])N(C)C[C@H](C)CS(C)(=O)=O ZINC000381039349 596977521 /nfs/dbraw/zinc/97/75/21/596977521.db2.gz DIXLRUMLKFRIMR-JGVFFNPUSA-N -1 3 237.321 0.072 20 0 BCADHM CC(C)CCNC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000037933163 596999287 /nfs/dbraw/zinc/99/92/87/596999287.db2.gz AAESBOOZIPILDI-SNVBAGLBSA-N -1 3 244.335 0.944 20 0 BCADHM CC[C@@H](C)NC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000037933145 597001883 /nfs/dbraw/zinc/00/18/83/597001883.db2.gz MOHGHCIIQVTKTD-BDAKNGLRSA-N -1 3 230.308 0.696 20 0 BCADHM CCCN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC000308851518 597022262 /nfs/dbraw/zinc/02/22/62/597022262.db2.gz OMFBJYJEHNJFEJ-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCN(Cc2ccco2)CC1 ZINC000051659705 597057108 /nfs/dbraw/zinc/05/71/08/597057108.db2.gz KUOIJCOFCJRPCS-JTQLQIEISA-N -1 3 238.287 0.870 20 0 BCADHM C[C@H](C(N)=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000054298931 597076244 /nfs/dbraw/zinc/07/62/44/597076244.db2.gz FPRHWQWXEGABEY-HTQZYQBOSA-N -1 3 214.265 0.047 20 0 BCADHM Cc1nn(C)c(Cl)c1CNCCC(=O)[O-] ZINC000035385883 597133959 /nfs/dbraw/zinc/13/39/59/597133959.db2.gz IEBKHTIORPPPEQ-UHFFFAOYSA-N -1 3 231.683 0.946 20 0 BCADHM CCn1ccnc1CNCCCC(=O)[O-] ZINC000051923488 597264476 /nfs/dbraw/zinc/26/44/76/597264476.db2.gz FQROBMDVKFJLAQ-UHFFFAOYSA-N -1 3 211.265 0.857 20 0 BCADHM O=C([O-])C[C@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000691598669 597274994 /nfs/dbraw/zinc/27/49/94/597274994.db2.gz BPFRFDYHSCMAAT-BDAKNGLRSA-N -1 3 226.276 0.062 20 0 BCADHM CCCN(C)CC(=O)NCCCC(=O)[O-] ZINC000308838828 597280648 /nfs/dbraw/zinc/28/06/48/597280648.db2.gz JFTPOHCSBFIKJP-UHFFFAOYSA-N -1 3 216.281 0.309 20 0 BCADHM CC1(C)CN(C(=O)CSCC(=O)[O-])CCN1 ZINC000396096200 597458336 /nfs/dbraw/zinc/45/83/36/597458336.db2.gz KWONKEMRJGWEBW-UHFFFAOYSA-N -1 3 246.332 0.015 20 0 BCADHM CCN(CC)CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000390151366 597497733 /nfs/dbraw/zinc/49/77/33/597497733.db2.gz UJURSECKFMECKD-VIFPVBQESA-N -1 3 228.292 0.261 20 0 BCADHM CCCN(CCO)c1ccc(-c2nnn[n-]2)nc1 ZINC000821100191 607304618 /nfs/dbraw/zinc/30/46/18/607304618.db2.gz VLKJJRHHUGRJRV-UHFFFAOYSA-N -1 3 248.290 0.470 20 0 BCADHM CCCN(CCO)c1ccc(-c2nn[n-]n2)nc1 ZINC000821100191 607304619 /nfs/dbraw/zinc/30/46/19/607304619.db2.gz VLKJJRHHUGRJRV-UHFFFAOYSA-N -1 3 248.290 0.470 20 0 BCADHM CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000062133532 597526618 /nfs/dbraw/zinc/52/66/18/597526618.db2.gz ALANHEVQHCBAEZ-AEJSXWLSSA-N -1 3 242.319 0.696 20 0 BCADHM Cc1cnc(CN2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000381472101 597528626 /nfs/dbraw/zinc/52/86/26/597528626.db2.gz MZTVLMRPZDNEMK-SECBINFHSA-N -1 3 221.260 0.692 20 0 BCADHM NC(=O)[C@H]1CCCCN1CCCCC(=O)[O-] ZINC000042405353 597767018 /nfs/dbraw/zinc/76/70/18/597767018.db2.gz DTCXLQHWPWNSBZ-SECBINFHSA-N -1 3 228.292 0.581 20 0 BCADHM C[C@H]1CC(=O)NCCN1CCCCC(=O)[O-] ZINC000707288672 597801441 /nfs/dbraw/zinc/80/14/41/597801441.db2.gz AMJXPQMFMRPIGD-VIFPVBQESA-N -1 3 228.292 0.452 20 0 BCADHM O=C([O-])[C@@H]1CCN(Cc2cncnc2)C1 ZINC000257662948 598127807 /nfs/dbraw/zinc/12/78/07/598127807.db2.gz JOLJOZQIJGDYKJ-SECBINFHSA-N -1 3 207.233 0.383 20 0 BCADHM CCn1nccc1CN1CC[C@@H](C(=O)[O-])C1 ZINC000164986482 598129006 /nfs/dbraw/zinc/12/90/06/598129006.db2.gz RUKCUDIGLUZRSF-SECBINFHSA-N -1 3 223.276 0.810 20 0 BCADHM O=C([O-])[C@H]1CCCCN1Cc1cncnc1 ZINC000394101432 598132480 /nfs/dbraw/zinc/13/24/80/598132480.db2.gz FPZZKRGNHSUUGC-SNVBAGLBSA-N -1 3 221.260 0.916 20 0 BCADHM Cn1cc(CNCCCCC(=O)[O-])nn1 ZINC000379781250 598166008 /nfs/dbraw/zinc/16/60/08/598166008.db2.gz GBHHDFNLDZXTKD-UHFFFAOYSA-N -1 3 212.253 0.160 20 0 BCADHM CC(C)C[C@H](NCc1cn(C)nn1)C(=O)[O-] ZINC000054861009 598208946 /nfs/dbraw/zinc/20/89/46/598208946.db2.gz NZYBOYPWOHYWQF-VIFPVBQESA-N -1 3 226.280 0.404 20 0 BCADHM O=C([O-])c1cccc(CN2CCNC(=O)CC2)c1 ZINC000062101228 598211038 /nfs/dbraw/zinc/21/10/38/598211038.db2.gz JIWAAWYCJUROMV-UHFFFAOYSA-N -1 3 248.282 0.707 20 0 BCADHM OCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000095172871 598415245 /nfs/dbraw/zinc/41/52/45/598415245.db2.gz ODLZCNUMBYVGHF-UHFFFAOYSA-N -1 3 219.248 0.661 20 0 BCADHM CCN(CCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000095300641 598678957 /nfs/dbraw/zinc/67/89/57/598678957.db2.gz UYDBLCWEXYZKHJ-UHFFFAOYSA-N -1 3 233.275 0.685 20 0 BCADHM O=[N+]([O-])c1cnc(NC2CC2)c(-c2nnn[n-]2)c1 ZINC000095149696 599346536 /nfs/dbraw/zinc/34/65/36/599346536.db2.gz DFOYZROOHVUUSP-UHFFFAOYSA-N -1 3 247.218 0.744 20 0 BCADHM O=[N+]([O-])c1cnc(NC2CC2)c(-c2nn[n-]n2)c1 ZINC000095149696 599346538 /nfs/dbraw/zinc/34/65/38/599346538.db2.gz DFOYZROOHVUUSP-UHFFFAOYSA-N -1 3 247.218 0.744 20 0 BCADHM O=C([O-])[C@H]1CN(CC2(O)CCCCC2)CCO1 ZINC000087458791 600000717 /nfs/dbraw/zinc/00/07/17/600000717.db2.gz ZOHHBFYQCZHFEH-SNVBAGLBSA-N -1 3 243.303 0.467 20 0 BCADHM CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000257634363 600036677 /nfs/dbraw/zinc/03/66/77/600036677.db2.gz PEMSWNYBIROVBS-NXEZZACHSA-N -1 3 240.303 0.404 20 0 BCADHM CN1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000082246898 600037108 /nfs/dbraw/zinc/03/71/08/600037108.db2.gz PEMSWNYBIROVBS-UWVGGRQHSA-N -1 3 240.303 0.404 20 0 BCADHM CN(CCCS(C)(=O)=O)C(C)(C)C(=O)[O-] ZINC000063016134 600133723 /nfs/dbraw/zinc/13/37/23/600133723.db2.gz MHVIILLATNKQAI-UHFFFAOYSA-N -1 3 237.321 0.216 20 0 BCADHM CCN1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC000250247232 600160619 /nfs/dbraw/zinc/16/06/19/600160619.db2.gz IBPFXKVXFOKTEU-LPEHRKFASA-N -1 3 240.303 0.308 20 0 BCADHM O=C([O-])CCN1CCC[C@H]1C(=O)NC1CC1 ZINC000309811709 600219218 /nfs/dbraw/zinc/21/92/18/600219218.db2.gz ZHUZPYKVBYVUPM-VIFPVBQESA-N -1 3 226.276 0.204 20 0 BCADHM CC(C)N(CCC(=O)[O-])CC(=O)N(C)C ZINC000037474319 600222416 /nfs/dbraw/zinc/22/24/16/600222416.db2.gz HMGGNCAFMYIABO-UHFFFAOYSA-N -1 3 216.281 0.260 20 0 BCADHM CCNC(=O)CN(CC)CCCC(=O)[O-] ZINC000042369896 600223751 /nfs/dbraw/zinc/22/37/51/600223751.db2.gz HOVLBLOHRYLAFX-UHFFFAOYSA-N -1 3 216.281 0.309 20 0 BCADHM Cc1ncc(CN(C)C[C@H](C)C(=O)[O-])cn1 ZINC000738883223 600364244 /nfs/dbraw/zinc/36/42/44/600364244.db2.gz GPHMPGWNRRQCND-QMMMGPOBSA-N -1 3 223.276 0.938 20 0 BCADHM CCN(CC)C(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000042706333 600370062 /nfs/dbraw/zinc/37/00/62/600370062.db2.gz OFFQSHVFANRCCO-NXEZZACHSA-N -1 3 244.335 0.896 20 0 BCADHM C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C(=O)[O-] ZINC000043559505 600441029 /nfs/dbraw/zinc/44/10/29/600441029.db2.gz RBNQDSPZAMQTBJ-IMSYWVGJSA-N -1 3 242.319 0.837 20 0 BCADHM O=C([O-])c1cccc(CN2CC[C@@H](O)C2)c1 ZINC000061710731 600447158 /nfs/dbraw/zinc/44/71/58/600447158.db2.gz FKSWURYWOHATEO-LLVKDONJSA-N -1 3 221.256 0.951 20 0 BCADHM O=C([O-])c1ccc(CN2CC[C@@H](CO)C2)o1 ZINC000051886963 600622619 /nfs/dbraw/zinc/62/26/19/600622619.db2.gz NBGBTUDGWGXWFF-MRVPVSSYSA-N -1 3 225.244 0.792 20 0 BCADHM C[C@](O)(CN1CCO[C@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000080211119 600762116 /nfs/dbraw/zinc/76/21/16/600762116.db2.gz DFMBNLGDZCFCKO-NHCYSSNCSA-N -1 3 243.303 0.465 20 0 BCADHM CCCN(C)CC(=O)N[C@@](C)(CC)C(=O)[O-] ZINC000737007290 600786418 /nfs/dbraw/zinc/78/64/18/600786418.db2.gz DOVXPYHOBXCDAQ-NSHDSACASA-N -1 3 230.308 0.698 20 0 BCADHM CCN(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000035296907 600844978 /nfs/dbraw/zinc/84/49/78/600844978.db2.gz FKTUSVNTNRAPGE-VIFPVBQESA-N -1 3 228.292 0.261 20 0 BCADHM OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000095221621 607470216 /nfs/dbraw/zinc/47/02/16/607470216.db2.gz FVHHYESXEOJXKS-UHFFFAOYSA-N -1 3 220.232 0.628 20 0 BCADHM OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000095221621 607470219 /nfs/dbraw/zinc/47/02/19/607470219.db2.gz FVHHYESXEOJXKS-UHFFFAOYSA-N -1 3 220.232 0.628 20 0 BCADHM C[C@H](C(=O)NC1CC1)N1CCC[C@H](C(=O)[O-])C1 ZINC000035083994 600843788 /nfs/dbraw/zinc/84/37/88/600843788.db2.gz VDOGWBBZXSGVOS-BDAKNGLRSA-N -1 3 240.303 0.450 20 0 BCADHM C/C(=C/CN1CCN(C2CC2)CC1)C(=O)[O-] ZINC000214726329 601159752 /nfs/dbraw/zinc/15/97/52/601159752.db2.gz YYAMAJNZNHQTQS-WMZJFQQLSA-N -1 3 224.304 0.797 20 0 BCADHM C/C(=C\CN(C)C[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000707886361 601163717 /nfs/dbraw/zinc/16/37/17/601163717.db2.gz WBPQMIPUEZFYCL-LLMHMKPQSA-N -1 3 242.319 0.280 20 0 BCADHM C[C@]1(O)CCN(Cc2ccoc2C(=O)[O-])C1 ZINC000235761623 601182647 /nfs/dbraw/zinc/18/26/47/601182647.db2.gz OIKQNTRBDYOCPQ-NSHDSACASA-N -1 3 225.244 0.935 20 0 BCADHM Cn1cncc1CN1CCC[C@@H](C(=O)[O-])C1 ZINC000085182609 601313189 /nfs/dbraw/zinc/31/31/89/601313189.db2.gz DUTSMHRWPIERGF-SECBINFHSA-N -1 3 223.276 0.717 20 0 BCADHM O=C([O-])C[C@@H]1CN(C[C@@H]2CCOC2)CCO1 ZINC000085617788 601451424 /nfs/dbraw/zinc/45/14/24/601451424.db2.gz AGSISGMJASATRX-VHSXEESVSA-N -1 3 229.276 0.198 20 0 BCADHM CC(C)CNC(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227150811 601506170 /nfs/dbraw/zinc/50/61/70/601506170.db2.gz RNUUJYWOPVQKOJ-NXEZZACHSA-N -1 3 242.319 0.411 20 0 BCADHM Cc1cnc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)cn1 ZINC000693797062 601504955 /nfs/dbraw/zinc/50/49/55/601504955.db2.gz RFXHQYLWCHGLNE-KCJUWKMLSA-N -1 3 235.287 0.938 20 0 BCADHM CCCNC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000082557911 601532204 /nfs/dbraw/zinc/53/22/04/601532204.db2.gz WKTVBAUOJFANHN-DTWKUNHWSA-N -1 3 228.292 0.165 20 0 BCADHM CCCNC(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000223839101 601532264 /nfs/dbraw/zinc/53/22/64/601532264.db2.gz WKTVBAUOJFANHN-IUCAKERBSA-N -1 3 228.292 0.165 20 0 BCADHM O=C([O-])CCN(CCO)Cc1cccnc1 ZINC000071740159 601600240 /nfs/dbraw/zinc/60/02/40/601600240.db2.gz VVPFPKAPWYREDK-UHFFFAOYSA-N -1 3 224.260 0.351 20 0 BCADHM Cn1ncnc1CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000389394622 601874411 /nfs/dbraw/zinc/87/44/11/601874411.db2.gz YPXAWAOXNRPERB-QMMMGPOBSA-N -1 3 226.280 0.404 20 0 BCADHM C[C@@H](C(N)=O)N1CCC(CCC(=O)[O-])CC1 ZINC000050926438 601839005 /nfs/dbraw/zinc/83/90/05/601839005.db2.gz GRAMYXXSAZSOEK-QMMMGPOBSA-N -1 3 228.292 0.437 20 0 BCADHM C[C@@]1(C(=O)[O-])CCN(CC(=O)NCC2CC2)C1 ZINC000062936283 601922525 /nfs/dbraw/zinc/92/25/25/601922525.db2.gz XSMWKIYLXIMYGB-GFCCVEGCSA-N -1 3 240.303 0.309 20 0 BCADHM CCN(CC(=O)[O-])C[C@H](C)CS(C)(=O)=O ZINC000705550800 601949842 /nfs/dbraw/zinc/94/98/42/601949842.db2.gz VBIICRIRTSNJRJ-QMMMGPOBSA-N -1 3 237.321 0.074 20 0 BCADHM O=C([O-])N1CCC[C@H](CNCc2cc[nH]n2)C1 ZINC000740511049 602055902 /nfs/dbraw/zinc/05/59/02/602055902.db2.gz CREXYEAKPVSETC-SECBINFHSA-N -1 3 238.291 0.889 20 0 BCADHM CC(C)[C@H](C(=O)NCCCC(=O)[O-])N(C)C ZINC000309647717 602100854 /nfs/dbraw/zinc/10/08/54/602100854.db2.gz WOCINFHWUHXUEK-SNVBAGLBSA-N -1 3 230.308 0.554 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000258648718 602170735 /nfs/dbraw/zinc/17/07/35/602170735.db2.gz FVAXHQYXAMDWFG-ZJUUUORDSA-N -1 3 242.319 0.650 20 0 BCADHM Cc1n[nH]cc1CNCCN(C)C(=O)[O-] ZINC000740210665 602294731 /nfs/dbraw/zinc/29/47/31/602294731.db2.gz YTGMIIWTWADTEP-UHFFFAOYSA-N -1 3 212.253 0.418 20 0 BCADHM C[C@H](CNC(=O)[O-])N(C)CCn1cccn1 ZINC000738942500 602560987 /nfs/dbraw/zinc/56/09/87/602560987.db2.gz OYDIVCACVJIJCO-SECBINFHSA-N -1 3 226.280 0.471 20 0 BCADHM CCN(CC)CC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000739407400 602526156 /nfs/dbraw/zinc/52/61/56/602526156.db2.gz KQUXMDBNSRKLCG-VIFPVBQESA-N -1 3 245.323 0.443 20 0 BCADHM CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000738833327 602536755 /nfs/dbraw/zinc/53/67/55/602536755.db2.gz FRLMXZMTJOGGEA-SECBINFHSA-N -1 3 243.307 0.195 20 0 BCADHM CC[C@@H](C(N)=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739215310 602543135 /nfs/dbraw/zinc/54/31/35/602543135.db2.gz XWIHWPMSSCGFOF-BDAKNGLRSA-N -1 3 243.307 0.182 20 0 BCADHM Cc1cnn(CCN(C)[C@@H](C)CNC(=O)[O-])c1 ZINC000740201890 602558830 /nfs/dbraw/zinc/55/88/30/602558830.db2.gz ZYDRWDYSFAVSOT-JTQLQIEISA-N -1 3 240.307 0.779 20 0 BCADHM CCN(CCNCc1cnn(CC)c1)C(=O)[O-] ZINC000739434764 602673253 /nfs/dbraw/zinc/67/32/53/602673253.db2.gz UYMWCZHOZVDRDM-UHFFFAOYSA-N -1 3 240.307 0.993 20 0 BCADHM O=C([O-])N1CCC(NCc2ncc[nH]2)CC1 ZINC000739925141 602680941 /nfs/dbraw/zinc/68/09/41/602680941.db2.gz WLZPZCORANPKPN-UHFFFAOYSA-N -1 3 224.264 0.642 20 0 BCADHM COC[C@H](O)CN1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739810112 602691105 /nfs/dbraw/zinc/69/11/05/602691105.db2.gz IXFXORURJHILKY-VHSXEESVSA-N -1 3 246.307 0.068 20 0 BCADHM CN1CCN(C[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739737661 602701586 /nfs/dbraw/zinc/70/15/86/602701586.db2.gz OUODBDOLPBXIRI-NSHDSACASA-N -1 3 241.335 0.624 20 0 BCADHM CC(C)[C@H](CNCc1cncn1C)NC(=O)[O-] ZINC000738792439 602790324 /nfs/dbraw/zinc/79/03/24/602790324.db2.gz HBSOIZMRNOPQDK-JTQLQIEISA-N -1 3 240.307 0.802 20 0 BCADHM CC(C)[C@@H](CNCc1cncnc1)NC(=O)[O-] ZINC000738793996 602790383 /nfs/dbraw/zinc/79/03/83/602790383.db2.gz OWBURIRXYWWWNZ-SNVBAGLBSA-N -1 3 238.291 0.858 20 0 BCADHM CNC(=O)CCN1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000739740354 602826593 /nfs/dbraw/zinc/82/65/93/602826593.db2.gz KVASLRWLUBOARS-RKDXNWHRSA-N -1 3 243.307 0.195 20 0 BCADHM CCn1ccnc1CNCCCNC(=O)[O-] ZINC000739571314 602880916 /nfs/dbraw/zinc/88/09/16/602880916.db2.gz YRXNDKDHXYTDMO-UHFFFAOYSA-N -1 3 226.280 0.650 20 0 BCADHM CC(C)N(CC(N)=O)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738837485 602977148 /nfs/dbraw/zinc/97/71/48/602977148.db2.gz SXRUBPFGVCRNPT-SECBINFHSA-N -1 3 243.307 0.182 20 0 BCADHM CCOCCN(C)[C@H](C)CNC(=O)[O-] ZINC000739493411 603067235 /nfs/dbraw/zinc/06/72/35/603067235.db2.gz TTYASFRNHSRTHX-MRVPVSSYSA-N -1 3 204.270 0.611 20 0 BCADHM Cn1cc(CN[C@H](CNC(=O)[O-])C2CC2)cn1 ZINC000740290159 603071518 /nfs/dbraw/zinc/07/15/18/603071518.db2.gz MVOVSQKDDIYTJH-SNVBAGLBSA-N -1 3 238.291 0.556 20 0 BCADHM Cn1cc(CN[C@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000740290034 603247274 /nfs/dbraw/zinc/24/72/74/603247274.db2.gz KVYYWIXWXMVIKW-JTQLQIEISA-N -1 3 238.291 0.652 20 0 BCADHM C[C@H](NC(=O)[O-])C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000738976041 603286385 /nfs/dbraw/zinc/28/63/85/603286385.db2.gz CKYGOFKVOPUPBF-IUCAKERBSA-N -1 3 243.307 0.195 20 0 BCADHM CCN1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739461501 603322226 /nfs/dbraw/zinc/32/22/26/603322226.db2.gz UELCPHADMGBDPR-NSHDSACASA-N -1 3 241.335 0.624 20 0 BCADHM Cc1c(CN(C)CCC(=O)[O-])cnn1C ZINC000086553287 604336599 /nfs/dbraw/zinc/33/65/99/604336599.db2.gz ZVJXFPOLCUVIBN-UHFFFAOYSA-N -1 3 211.265 0.635 20 0 BCADHM O=C([O-])CCCN1CCN(CCCF)CC1 ZINC000402611122 604349185 /nfs/dbraw/zinc/34/91/85/604349185.db2.gz RJEAUFSJAIMOBV-UHFFFAOYSA-N -1 3 232.299 0.828 20 0 BCADHM CCOC(=O)CCN1CC[C@@H](NC(=O)[O-])C1 ZINC000739474868 604374088 /nfs/dbraw/zinc/37/40/88/604374088.db2.gz HZCHLLCJRZLWIH-MRVPVSSYSA-N -1 3 230.264 0.282 20 0 BCADHM O=C([O-])c1ccc(CN[C@@H]2CCNC2=O)cc1 ZINC000693938524 604400303 /nfs/dbraw/zinc/40/03/03/604400303.db2.gz MLOARGXLDXJPAJ-SNVBAGLBSA-N -1 3 234.255 0.363 20 0 BCADHM O=C([O-])[C@@H]1CC12CCN([C@@H]1CCNC1=O)CC2 ZINC000691470982 604422590 /nfs/dbraw/zinc/42/25/90/604422590.db2.gz CWYJAAYZASHMSR-DTWKUNHWSA-N -1 3 238.287 0.062 20 0 BCADHM O=C([O-])CCC1CCN([C@@H]2CCNC2=O)CC1 ZINC000691605702 604422670 /nfs/dbraw/zinc/42/26/70/604422670.db2.gz HSJWPEZLUQTINI-SNVBAGLBSA-N -1 3 240.303 0.452 20 0 BCADHM O=C([O-])C1CCN([C@H]2CCCNC2=O)CC1 ZINC000691471486 604453937 /nfs/dbraw/zinc/45/39/37/604453937.db2.gz XTEMFMBBXLVAAF-VIFPVBQESA-N -1 3 226.276 0.062 20 0 BCADHM CC(C)[C@H](C(=O)NCCCNC(=O)[O-])N(C)C ZINC000738764582 604459426 /nfs/dbraw/zinc/45/94/26/604459426.db2.gz LDWHNQALHXUBIG-SECBINFHSA-N -1 3 245.323 0.347 20 0 BCADHM Cc1cc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)nn1C ZINC000688129033 604674195 /nfs/dbraw/zinc/67/41/95/604674195.db2.gz YKFVESRVRBHKBO-GZMMTYOYSA-N -1 3 237.303 0.881 20 0 BCADHM O=C([O-])C[C@H]1CN(C[C@@H]2CCCOC2)CCO1 ZINC000227572631 604777992 /nfs/dbraw/zinc/77/79/92/604777992.db2.gz CUWCRZXNAAOFFM-QWRGUYRKSA-N -1 3 243.303 0.589 20 0 BCADHM CN(CCO)CCOc1ccccc1C(=O)[O-] ZINC000011800944 605202918 /nfs/dbraw/zinc/20/29/18/605202918.db2.gz BPDVQOIWXSFHEF-UHFFFAOYSA-N -1 3 239.271 0.688 20 0 BCADHM CC(C)C[C@@H](C)NCc1cn(CC(=O)[O-])nn1 ZINC000304365215 605306346 /nfs/dbraw/zinc/30/63/46/605306346.db2.gz FFKNFWKSSVWQKI-SECBINFHSA-N -1 3 240.307 0.887 20 0 BCADHM O=C([O-])N1CCC[C@H](NCc2cn[nH]c2)C1 ZINC000739927724 605631213 /nfs/dbraw/zinc/63/12/13/605631213.db2.gz QVRLQQHXGJXSPN-VIFPVBQESA-N -1 3 224.264 0.642 20 0 BCADHM O=C([O-])N[C@H]1CCN(CCOCC2CC2)C1 ZINC000740596854 605927874 /nfs/dbraw/zinc/92/78/74/605927874.db2.gz QRXSCFBCEMCNHW-JTQLQIEISA-N -1 3 228.292 0.755 20 0 BCADHM O=C([O-])N[C@H]1CCN(CCc2ccccn2)C1 ZINC000740597108 605930233 /nfs/dbraw/zinc/93/02/33/605930233.db2.gz UTVKIZDNWIBQPO-NSHDSACASA-N -1 3 235.287 0.966 20 0 BCADHM Cc1nn(C)cc1CNCCNC(=O)[O-] ZINC000833919546 606072363 /nfs/dbraw/zinc/07/23/63/606072363.db2.gz KTFGWQMDIOWRQL-UHFFFAOYSA-N -1 3 212.253 0.086 20 0 BCADHM OCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095141858 606783994 /nfs/dbraw/zinc/78/39/94/606783994.db2.gz OOEGPORLSWDKAO-UHFFFAOYSA-N -1 3 240.650 0.891 20 0 BCADHM OCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095141858 606783997 /nfs/dbraw/zinc/78/39/97/606783997.db2.gz OOEGPORLSWDKAO-UHFFFAOYSA-N -1 3 240.650 0.891 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCOCC2)n1 ZINC000095340036 607225566 /nfs/dbraw/zinc/22/55/66/607225566.db2.gz ZWCFFGKQUQYUPO-UHFFFAOYSA-N -1 3 246.274 0.407 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCOCC2)n1 ZINC000095340036 607225565 /nfs/dbraw/zinc/22/55/65/607225565.db2.gz ZWCFFGKQUQYUPO-UHFFFAOYSA-N -1 3 246.274 0.407 20 0 BCADHM COCCNc1nc(C)ccc1-c1nnn[n-]1 ZINC000095340221 608268450 /nfs/dbraw/zinc/26/84/50/608268450.db2.gz QQAMQPXLJIXZNR-UHFFFAOYSA-N -1 3 234.263 0.628 20 0 BCADHM COCCNc1nc(C)ccc1-c1nn[n-]n1 ZINC000095340221 608268452 /nfs/dbraw/zinc/26/84/52/608268452.db2.gz QQAMQPXLJIXZNR-UHFFFAOYSA-N -1 3 234.263 0.628 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](C)O)n1 ZINC000095340171 608552100 /nfs/dbraw/zinc/55/21/00/608552100.db2.gz GFCBOIBOQOQKDK-ZETCQYMHSA-N -1 3 234.263 0.363 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](C)O)n1 ZINC000095340171 608552102 /nfs/dbraw/zinc/55/21/02/608552102.db2.gz GFCBOIBOQOQKDK-ZETCQYMHSA-N -1 3 234.263 0.363 20 0 BCADHM CSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000095329259 609303575 /nfs/dbraw/zinc/30/35/75/609303575.db2.gz ULASZSHXHGWQNG-UHFFFAOYSA-N -1 3 222.277 0.995 20 0 BCADHM CSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000095329259 609303576 /nfs/dbraw/zinc/30/35/76/609303576.db2.gz ULASZSHXHGWQNG-UHFFFAOYSA-N -1 3 222.277 0.995 20 0 BCADHM Cc1nc(N2C[C@H](C)O[C@H](CO)C2)cc(=O)[n-]1 ZINC000299954599 634403953 /nfs/dbraw/zinc/40/39/53/634403953.db2.gz BFSISEVCXMEWFV-CBAPKCEASA-N -1 3 239.275 0.077 20 0 BCADHM Cc1nc(N[C@@H](C)c2ncnn2C)cc(=O)[n-]1 ZINC000893433946 634467518 /nfs/dbraw/zinc/46/75/18/634467518.db2.gz OIWODJXSSNMSCJ-LURJTMIESA-N -1 3 234.263 0.792 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CCO[C@@H]2C)[n-]1 ZINC000228777763 635465425 /nfs/dbraw/zinc/46/54/25/635465425.db2.gz GGDMMRPEBLZBOP-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CCO[C@@H]2C)n[n-]1 ZINC000228777763 635465429 /nfs/dbraw/zinc/46/54/29/635465429.db2.gz GGDMMRPEBLZBOP-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CCO[C@@H]2C)n1 ZINC000228777763 635465433 /nfs/dbraw/zinc/46/54/33/635465433.db2.gz GGDMMRPEBLZBOP-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM CCCC1(C(=O)[N-]OCC(N)=O)CC1 ZINC000308565308 631339177 /nfs/dbraw/zinc/33/91/77/631339177.db2.gz ZWQSZBQYNUGPFL-UHFFFAOYSA-N -1 3 200.238 0.100 20 0 BCADHM CC(C)n1nnc(NC(=O)[N-]OCC2CC2)n1 ZINC000933459847 631381330 /nfs/dbraw/zinc/38/13/30/631381330.db2.gz UTQLBGBFDUCFPM-UHFFFAOYSA-N -1 3 240.267 0.717 20 0 BCADHM C[C@@H](CNC(=O)C(=O)[O-])N1CCCCC1 ZINC000045014984 631827808 /nfs/dbraw/zinc/82/78/08/631827808.db2.gz MGRHMSLQQUCXDZ-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM C[C@H]1C[C@H](Nc2cc(=O)[n-]cn2)CCO1 ZINC000235686483 632815265 /nfs/dbraw/zinc/81/52/65/632815265.db2.gz OYDMGAHTPSOLMG-JGVFFNPUSA-N -1 3 209.249 0.749 20 0 BCADHM C[C@H](Cn1cccn1)Nc1cc(=O)[n-]cn1 ZINC000165239368 633086970 /nfs/dbraw/zinc/08/69/70/633086970.db2.gz BWVSBMNKZOUXFG-MRVPVSSYSA-N -1 3 219.248 0.467 20 0 BCADHM Cc1nc(N2C[C@@H]3COC[C@@]3(C)C2)cc(=O)[n-]1 ZINC000894563589 635910659 /nfs/dbraw/zinc/91/06/59/635910659.db2.gz JCQBNUNKTFQOFR-BXKDBHETSA-N -1 3 235.287 0.963 20 0 BCADHM CCN(CC)CC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000909465363 636080883 /nfs/dbraw/zinc/08/08/83/636080883.db2.gz AATVOFKPFFNYKH-JTQLQIEISA-N -1 3 242.319 0.698 20 0 BCADHM CCC(C)(C)NC(=O)[C@@H](C)O[N-]C(C)=O ZINC000180805392 633900958 /nfs/dbraw/zinc/90/09/58/633900958.db2.gz DDSASJKJXDCJBY-SSDOTTSWSA-N -1 3 216.281 0.747 20 0 BCADHM CC(=O)[N-]O[C@H]1CCCN(C(C)C)C1=O ZINC000180799308 633901258 /nfs/dbraw/zinc/90/12/58/633901258.db2.gz GQNVJIWBMYRXPJ-VIFPVBQESA-N -1 3 214.265 0.454 20 0 BCADHM Cc1nc(N2CCN(C)C(=O)[C@H]2C)cc(=O)[n-]1 ZINC000893273159 634035352 /nfs/dbraw/zinc/03/53/52/634035352.db2.gz HNNDRLVLBHHYTR-SSDOTTSWSA-N -1 3 236.275 0.158 20 0 BCADHM COc1nnc(NC(=O)C[C@H]2CCCOC2)[n-]1 ZINC000193736456 634287347 /nfs/dbraw/zinc/28/73/47/634287347.db2.gz PBXZUINZMADTDX-SSDOTTSWSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nc(NC(=O)C[C@H]2CCCOC2)n[n-]1 ZINC000193736456 634287353 /nfs/dbraw/zinc/28/73/53/634287353.db2.gz PBXZUINZMADTDX-SSDOTTSWSA-N -1 3 240.263 0.569 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@H]2CCCOC2)n1 ZINC000193736456 634287362 /nfs/dbraw/zinc/28/73/62/634287362.db2.gz PBXZUINZMADTDX-SSDOTTSWSA-N -1 3 240.263 0.569 20 0 BCADHM CCOCCO[N-]C(=O)C[C@H]1CCCOC1 ZINC000193868035 634294621 /nfs/dbraw/zinc/29/46/21/634294621.db2.gz BFSYOGRHDANHPS-SNVBAGLBSA-N -1 3 231.292 0.887 20 0 BCADHM CC[C@@](C)(CN1CCO[C@@H](CC(=O)[O-])C1)OC ZINC000319533295 634322292 /nfs/dbraw/zinc/32/22/92/634322292.db2.gz ARANBMYKHPAXTA-JQWIXIFHSA-N -1 3 245.319 0.977 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cnsn1)C2 ZINC000931313969 634331801 /nfs/dbraw/zinc/33/18/01/634331801.db2.gz TXARFFKYURKQPJ-UHFFFAOYSA-N -1 3 249.299 0.858 20 0 BCADHM CCNC(=O)CN(CC)c1cc(=O)[n-]c(C)n1 ZINC000162830802 635137601 /nfs/dbraw/zinc/13/76/01/635137601.db2.gz GEPDNRJMCDVULE-UHFFFAOYSA-N -1 3 238.291 0.453 20 0 BCADHM C[C@@H](C(=O)[N-]OCc1ccccn1)N(C)C ZINC000909536636 636227090 /nfs/dbraw/zinc/22/70/90/636227090.db2.gz QTBFWFJOXMXIJE-VIFPVBQESA-N -1 3 223.276 0.580 20 0 BCADHM COCCNC(=O)c1c([O-])cccc1OC ZINC000096785516 637003985 /nfs/dbraw/zinc/00/39/85/637003985.db2.gz GJCKVZPCPVBFRS-UHFFFAOYSA-N -1 3 225.244 0.777 20 0 BCADHM CO[N-]C(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC000905863119 637950164 /nfs/dbraw/zinc/95/01/64/637950164.db2.gz CTKYBFIXCZHNGA-VKHMYHEASA-N -1 3 236.482 0.785 20 0 BCADHM CO[N-]C(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000905863118 637950387 /nfs/dbraw/zinc/95/03/87/637950387.db2.gz CTKYBFIXCZHNGA-GSVOUGTGSA-N -1 3 236.482 0.785 20 0 BCADHM Cc1c(=O)[n-]cnc1NC[C@](C)(O)C(F)F ZINC000905957504 638004025 /nfs/dbraw/zinc/00/40/25/638004025.db2.gz QNSJIRZFMRPVOT-VIFPVBQESA-N -1 3 233.218 0.919 20 0 BCADHM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCCOC ZINC000906910145 638269135 /nfs/dbraw/zinc/26/91/35/638269135.db2.gz VXWZOJLBHAHPHG-DTWKUNHWSA-N -1 3 245.275 0.270 20 0 BCADHM O=C([N-]OCC(F)(F)F)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907049088 638294144 /nfs/dbraw/zinc/29/41/44/638294144.db2.gz PYZNVNXEOXQPIE-QPPQHZFASA-N -1 3 237.177 0.822 20 0 BCADHM O=C([N-]OCc1cccnc1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907091593 638301588 /nfs/dbraw/zinc/30/15/88/638301588.db2.gz SEDISZDKIWSUEB-YUSALJHKSA-N -1 3 246.266 0.855 20 0 BCADHM COc1cccc([O-])c1C(=O)NOCCO ZINC000907482496 638397207 /nfs/dbraw/zinc/39/72/07/638397207.db2.gz FRKLCIWZQHIROV-UHFFFAOYSA-N -1 3 227.216 0.055 20 0 BCADHM COC(=O)[C@@H]1CCCC[C@@H]1C(=O)[N-]OCCO ZINC000907482267 638397450 /nfs/dbraw/zinc/39/74/50/638397450.db2.gz DASBFPVQSRYCKL-DTWKUNHWSA-N -1 3 245.275 0.006 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@]1(C)C[C@@H](O)CN1C ZINC000908349420 638659536 /nfs/dbraw/zinc/65/95/36/638659536.db2.gz SEDVQSYEMXYGRL-UMNHJUIQSA-N -1 3 244.335 0.535 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C/C=C\Cl)c1 ZINC000908453526 638741200 /nfs/dbraw/zinc/74/12/00/638741200.db2.gz WWHPZIABGKUWDY-ARJAWSKDSA-N -1 3 249.723 0.934 20 0 BCADHM CC(F)(F)C(=O)[N-][C@@H](CO)c1ccccn1 ZINC000908480651 638749597 /nfs/dbraw/zinc/74/95/97/638749597.db2.gz BQHPZINQBRSVQN-QMMMGPOBSA-N -1 3 230.214 0.886 20 0 BCADHM CCN(CCC(=O)[O-])C(=O)[C@H]1CCCCN1C ZINC000908865866 639083280 /nfs/dbraw/zinc/08/32/80/639083280.db2.gz RTEXQMRIXXITGL-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM CC(C)N(C)CC(=O)N(CCC(=O)[O-])C1CC1 ZINC000908872982 639089575 /nfs/dbraw/zinc/08/95/75/639089575.db2.gz IQTWWFQQOXVNPJ-UHFFFAOYSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H](C(=O)N(CC(=O)[O-])CC(C)C)N(C)C ZINC000908878629 639089599 /nfs/dbraw/zinc/08/95/99/639089599.db2.gz DAMYVIUFTDSYAE-JTQLQIEISA-N -1 3 244.335 0.896 20 0 BCADHM CCN(CC(=O)[O-])C(=O)CN(C)C1CCC1 ZINC000908950663 639101773 /nfs/dbraw/zinc/10/17/73/639101773.db2.gz KFVDCCRYFHTUIF-UHFFFAOYSA-N -1 3 228.292 0.404 20 0 BCADHM CC(C)N(CCC(=O)[O-])C(=O)CN1CCCC1 ZINC000908962212 639105427 /nfs/dbraw/zinc/10/54/27/639105427.db2.gz UOGJPARESQQNCL-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000908986499 639115220 /nfs/dbraw/zinc/11/52/20/639115220.db2.gz DHNXEBPVHJIOPR-VHSXEESVSA-N -1 3 242.319 0.791 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000909053524 639133212 /nfs/dbraw/zinc/13/32/12/639133212.db2.gz IYBPYXGPTANAFG-DMLMCSCLSA-N -1 3 241.287 0.276 20 0 BCADHM C[C@H](CN(C)C(=O)Cc1c[nH]cn1)C(=O)[O-] ZINC000909154323 639158390 /nfs/dbraw/zinc/15/83/90/639158390.db2.gz JTHYDFWMORKLCE-SSDOTTSWSA-N -1 3 225.248 0.131 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)COC(=O)c1cnn[n-]1 ZINC000909310829 639203517 /nfs/dbraw/zinc/20/35/17/639203517.db2.gz DKQXDUCEOWADBN-RITPCOANSA-N -1 3 209.205 0.187 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)COC(=O)c1c[n-]nn1 ZINC000909310829 639203519 /nfs/dbraw/zinc/20/35/19/639203519.db2.gz DKQXDUCEOWADBN-RITPCOANSA-N -1 3 209.205 0.187 20 0 BCADHM CN(C(=O)[C@H]1CCCN1C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000909991242 639303385 /nfs/dbraw/zinc/30/33/85/639303385.db2.gz PXLVBELHQLGJRV-KXUCPTDWSA-N -1 3 240.303 0.402 20 0 BCADHM CCCN(C)CC(=O)N1CC(C)(C(=O)[O-])C1 ZINC000910058011 639356167 /nfs/dbraw/zinc/35/61/67/639356167.db2.gz FKOWBQLCLPQEKB-UHFFFAOYSA-N -1 3 228.292 0.261 20 0 BCADHM CN(CC(=O)N1CC(C)(C(=O)[O-])C1)C1CCC1 ZINC000910058267 639356486 /nfs/dbraw/zinc/35/64/86/639356486.db2.gz AICBARGBCXIXLZ-UHFFFAOYSA-N -1 3 240.303 0.404 20 0 BCADHM CC(C)[C@H](C(=O)N1CC(C)(C(=O)[O-])C1)N(C)C ZINC000910058214 639356547 /nfs/dbraw/zinc/35/65/47/639356547.db2.gz NVFPTUCAALTQSV-SECBINFHSA-N -1 3 242.319 0.506 20 0 BCADHM O=C([O-])C1CCN(c2ccncc2CO)CC1 ZINC000910278792 639402895 /nfs/dbraw/zinc/40/28/95/639402895.db2.gz ORTLGBXEWRRWGT-UHFFFAOYSA-N -1 3 236.271 0.875 20 0 BCADHM O=C([O-])C1(CNc2ccnc(CO)c2)CC1 ZINC000910428547 639444036 /nfs/dbraw/zinc/44/40/36/639444036.db2.gz BGWKIHOGMAWCDZ-UHFFFAOYSA-N -1 3 222.244 0.851 20 0 BCADHM O=C([O-])[C@H]1C[C@H]1CNc1ccncc1CO ZINC000910470734 639463029 /nfs/dbraw/zinc/46/30/29/639463029.db2.gz SYMTVGCBYRNLAZ-CBAPKCEASA-N -1 3 222.244 0.128 20 0 BCADHM CC[C@@H](CNc1ccncc1CO)C(=O)[O-] ZINC000910475658 639464170 /nfs/dbraw/zinc/46/41/70/639464170.db2.gz TWXDBOIWSSCJJB-QMMMGPOBSA-N -1 3 224.260 0.519 20 0 BCADHM CC[C@H](CNc1ccncc1CO)C(=O)[O-] ZINC000910475657 639464459 /nfs/dbraw/zinc/46/44/59/639464459.db2.gz TWXDBOIWSSCJJB-MRVPVSSYSA-N -1 3 224.260 0.519 20 0 BCADHM C/C=C(\C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471745 640086939 /nfs/dbraw/zinc/08/69/39/640086939.db2.gz WNSLBGWBKUXHPM-IPQKIJNHSA-N -1 3 223.276 0.581 20 0 BCADHM C/C=C(/C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471744 640087627 /nfs/dbraw/zinc/08/76/27/640087627.db2.gz WNSLBGWBKUXHPM-CHDHTGKKSA-N -1 3 223.276 0.581 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C[C@H](C)O)C2 ZINC000931313306 640150854 /nfs/dbraw/zinc/15/08/54/640150854.db2.gz GNPOMPOKEMKGKM-LURJTMIESA-N -1 3 209.249 0.187 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CCn1cccn1)C2 ZINC000931313936 640151734 /nfs/dbraw/zinc/15/17/34/640151734.db2.gz SBBHBAVKGFGVKR-UHFFFAOYSA-N -1 3 245.286 0.703 20 0 BCADHM COC(=O)[C@@H](C)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931318751 640155366 /nfs/dbraw/zinc/15/53/66/640155366.db2.gz QVFWABFCTLEYEK-ZCFIWIBFSA-N -1 3 237.259 0.368 20 0 BCADHM CN1C[C@@H](O)C[C@]1(C)C(=O)[N-]OCC1CCC1 ZINC000912724439 640178948 /nfs/dbraw/zinc/17/89/48/640178948.db2.gz HCXMJPYLKMHSFS-CMPLNLGQSA-N -1 3 242.319 0.289 20 0 BCADHM O=C([N-]C1CN(Cc2cnns2)C1)C(F)F ZINC001030036774 640528881 /nfs/dbraw/zinc/52/88/81/640528881.db2.gz ATEGAXLVPAVBFF-UHFFFAOYSA-N -1 3 248.258 0.104 20 0 BCADHM O=c1cc(NCC[C@H]2CCCO2)nc[n-]1 ZINC000165209920 640547928 /nfs/dbraw/zinc/54/79/28/640547928.db2.gz BXRBZIYIERTSNG-MRVPVSSYSA-N -1 3 209.249 0.751 20 0 BCADHM O=c1cc(N[C@H]2CCCC[C@@H]2O)nc[n-]1 ZINC000165252730 640550433 /nfs/dbraw/zinc/55/04/33/640550433.db2.gz JBSFZJONVPWGRX-YUMQZZPRSA-N -1 3 209.249 0.485 20 0 BCADHM CN(C[C@@H]1CCCO1)c1cc(=O)[n-]cn1 ZINC000165398552 640569516 /nfs/dbraw/zinc/56/95/16/640569516.db2.gz DSMJGSIITZRGOJ-QMMMGPOBSA-N -1 3 209.249 0.385 20 0 BCADHM C[C@@H]1CN(c2cc(=O)[n-]cn2)CC(C)(C)O1 ZINC000165399846 640570930 /nfs/dbraw/zinc/57/09/30/640570930.db2.gz PKHUTKQTWFLBLS-MRVPVSSYSA-N -1 3 223.276 0.774 20 0 BCADHM CN(C[C@H]1CCCOC1)c1cc(=O)[n-]cn1 ZINC000165417348 640575454 /nfs/dbraw/zinc/57/54/54/640575454.db2.gz NPLAFUAASLBNKD-SECBINFHSA-N -1 3 223.276 0.633 20 0 BCADHM CCN(CC(C)(C)O)c1cc(=O)[n-]cn1 ZINC000165427894 640575945 /nfs/dbraw/zinc/57/59/45/640575945.db2.gz PMHYNAMSZNFKPO-UHFFFAOYSA-N -1 3 211.265 0.367 20 0 BCADHM CC(C)(C)C[C@H](O)CNc1cc(=O)[n-]cn1 ZINC000226127673 640733201 /nfs/dbraw/zinc/73/32/01/640733201.db2.gz FTPCETPRBHNXHG-QMMMGPOBSA-N -1 3 225.292 0.979 20 0 BCADHM CC1(C)[C@@H](O)C[C@@H]1Nc1cc(=O)[n-]cn1 ZINC000168302364 640799324 /nfs/dbraw/zinc/79/93/24/640799324.db2.gz QSHPVZMHVSAHFH-BQBZGAKWSA-N -1 3 209.249 0.341 20 0 BCADHM CCN(CC)CC(=O)[N-]O[C@H]1CCCCO1 ZINC000060336452 640855063 /nfs/dbraw/zinc/85/50/63/640855063.db2.gz PLZWZZHYXFWPMW-NSHDSACASA-N -1 3 230.308 0.903 20 0 BCADHM CS[C@@H](CO)[C@H](C)Nc1cc(=O)[n-]cn1 ZINC000228324094 640869790 /nfs/dbraw/zinc/86/97/90/640869790.db2.gz YRBVCGOGHPWZFG-BQBZGAKWSA-N -1 3 229.305 0.294 20 0 BCADHM O=c1cc(N(CCO)C2CCC2)nc[n-]1 ZINC000228505435 640877457 /nfs/dbraw/zinc/87/74/57/640877457.db2.gz SEEOWWMYHZNLMQ-UHFFFAOYSA-N -1 3 209.249 0.121 20 0 BCADHM O=c1cc(NC[C@@H]2CCSC2)nc[n-]1 ZINC000228581872 640882968 /nfs/dbraw/zinc/88/29/68/640882968.db2.gz FGFCWJQVKJLYAL-ZETCQYMHSA-N -1 3 211.290 0.935 20 0 BCADHM COc1cccc([O-])c1C(=O)NCCCO ZINC000170248428 640893944 /nfs/dbraw/zinc/89/39/44/640893944.db2.gz ZXFRNNBMVPUBRX-UHFFFAOYSA-N -1 3 225.244 0.513 20 0 BCADHM C[C@@H](C[S@@](C)=O)[N-]C(=O)C(F)(F)C(F)F ZINC000230181656 641034605 /nfs/dbraw/zinc/03/46/05/641034605.db2.gz QTGDXWOXMXYOTI-DJBYBYECSA-N -1 3 249.229 0.770 20 0 BCADHM Cn1nccc1CCNc1cc(=O)[n-]cn1 ZINC000230789848 641094952 /nfs/dbraw/zinc/09/49/52/641094952.db2.gz PZNYKPCVADDMFY-UHFFFAOYSA-N -1 3 219.248 0.158 20 0 BCADHM COCCO[N-]C(=O)CC1(C)COC1 ZINC000934172005 641095899 /nfs/dbraw/zinc/09/58/99/641095899.db2.gz LMVWHOYIHAGWJA-UHFFFAOYSA-N -1 3 203.238 0.107 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCCN(C(=O)CC)C1 ZINC000063091316 641129739 /nfs/dbraw/zinc/12/97/39/641129739.db2.gz POEFJNYDNONWIZ-VIFPVBQESA-N -1 3 228.292 0.703 20 0 BCADHM CCN(C)C(=O)[C@H](C)Nc1cc(=O)[n-]cn1 ZINC000231867675 641212696 /nfs/dbraw/zinc/21/26/96/641212696.db2.gz VSMBNSZLBCUZLY-ZETCQYMHSA-N -1 3 224.264 0.049 20 0 BCADHM CSCC(C)(C)NCc1n[nH]c(=O)[n-]1 ZINC000934665933 641225268 /nfs/dbraw/zinc/22/52/68/641225268.db2.gz CCWNPARKMNFYQV-UHFFFAOYSA-N -1 3 216.310 0.742 20 0 BCADHM CCCn1cc(NC(=O)c2cnn[n-]2)cn1 ZINC000174258542 641264330 /nfs/dbraw/zinc/26/43/30/641264330.db2.gz KQUCUVQEMUUMGI-UHFFFAOYSA-N -1 3 220.236 0.664 20 0 BCADHM CCCn1cc(NC(=O)c2c[n-]nn2)cn1 ZINC000174258542 641264339 /nfs/dbraw/zinc/26/43/39/641264339.db2.gz KQUCUVQEMUUMGI-UHFFFAOYSA-N -1 3 220.236 0.664 20 0 BCADHM CCCn1cc(NC(=O)c2cn[n-]n2)cn1 ZINC000174258542 641264343 /nfs/dbraw/zinc/26/43/43/641264343.db2.gz KQUCUVQEMUUMGI-UHFFFAOYSA-N -1 3 220.236 0.664 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000936061415 641526981 /nfs/dbraw/zinc/52/69/81/641526981.db2.gz ZKNVKARXLMIZKR-ATXJSMISSA-N -1 3 247.678 0.986 20 0 BCADHM O=S(=O)(CC1(F)CCC1)[N-]Cc1ccno1 ZINC000914334304 641641711 /nfs/dbraw/zinc/64/17/11/641641711.db2.gz PRBBJJSVXDDNCT-UHFFFAOYSA-N -1 3 248.279 0.986 20 0 BCADHM CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000049306337 641714135 /nfs/dbraw/zinc/71/41/35/641714135.db2.gz CQEDMWYZGFGARW-SECBINFHSA-N -1 3 240.303 0.404 20 0 BCADHM CO[C@H](C)CCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189251448 641795212 /nfs/dbraw/zinc/79/52/12/641795212.db2.gz WVKCXOHLKLQCLG-NXEZZACHSA-N -1 3 231.292 0.886 20 0 BCADHM CO[C@H](C)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000189243983 641795779 /nfs/dbraw/zinc/79/57/79/641795779.db2.gz XKCYDRBXAJGRQO-BDAKNGLRSA-N -1 3 217.265 0.496 20 0 BCADHM O=C(CC[C@@H]1CCOC1)[N-]OC[C@H]1CCOC1 ZINC000189257299 641796673 /nfs/dbraw/zinc/79/66/73/641796673.db2.gz ZJUCXFIERRSHPV-MNOVXSKESA-N -1 3 243.303 0.887 20 0 BCADHM CC(=O)NC[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC000948569119 641812645 /nfs/dbraw/zinc/81/26/45/641812645.db2.gz LDXJZFAEKWRGMG-JTQLQIEISA-N -1 3 248.282 0.743 20 0 BCADHM CON(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000916723567 641969924 /nfs/dbraw/zinc/96/99/24/641969924.db2.gz MTJHOVICRZVADT-UHFFFAOYSA-N -1 3 225.200 0.754 20 0 BCADHM O=C([N-]Cc1ccon1)C(F)(F)C1(O)CCC1 ZINC000305699100 642676110 /nfs/dbraw/zinc/67/61/10/642676110.db2.gz COXVMMZTEBTVMI-UHFFFAOYSA-N -1 3 246.213 0.841 20 0 BCADHM CCOc1nnc(NC(=O)c2cn(C)cn2)[n-]1 ZINC000233802625 642695791 /nfs/dbraw/zinc/69/57/91/642695791.db2.gz MPCLOHZGRQPESZ-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM CCOc1nc(NC(=O)c2cn(C)cn2)n[n-]1 ZINC000233802625 642695800 /nfs/dbraw/zinc/69/58/00/642695800.db2.gz MPCLOHZGRQPESZ-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM CCOc1n[n-]c(NC(=O)c2cn(C)cn2)n1 ZINC000233802625 642695806 /nfs/dbraw/zinc/69/58/06/642695806.db2.gz MPCLOHZGRQPESZ-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM CNC(=O)Cc1sc(N(C)C2CC2)nc1[O-] ZINC000181275296 642858057 /nfs/dbraw/zinc/85/80/57/642858057.db2.gz WQKLBBRDPRUVED-SSDOTTSWSA-N -1 3 241.316 0.215 20 0 BCADHM C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cscn1 ZINC000921498950 642959640 /nfs/dbraw/zinc/95/96/40/642959640.db2.gz PDIFHRTUQIPHQQ-RQJHMYQMSA-N -1 3 248.329 0.456 20 0 BCADHM C[C@H]1COC[C@H]1[N-]S(=O)(=O)c1cscn1 ZINC000921498948 642960454 /nfs/dbraw/zinc/96/04/54/642960454.db2.gz PDIFHRTUQIPHQQ-NKWVEPMBSA-N -1 3 248.329 0.456 20 0 BCADHM COc1nnc(NC(=O)[C@H](O)c2ccccc2)[n-]1 ZINC000182990785 643076085 /nfs/dbraw/zinc/07/60/85/643076085.db2.gz ZSHLHGJAXJCZOY-MRVPVSSYSA-N -1 3 248.242 0.485 20 0 BCADHM COc1nc(NC(=O)[C@H](O)c2ccccc2)n[n-]1 ZINC000182990785 643076088 /nfs/dbraw/zinc/07/60/88/643076088.db2.gz ZSHLHGJAXJCZOY-MRVPVSSYSA-N -1 3 248.242 0.485 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](O)c2ccccc2)n1 ZINC000182990785 643076092 /nfs/dbraw/zinc/07/60/92/643076092.db2.gz ZSHLHGJAXJCZOY-MRVPVSSYSA-N -1 3 248.242 0.485 20 0 BCADHM C/C(=C/c1ccc(C)cc1)C(=O)[N-]OCC(N)=O ZINC000183119238 643089683 /nfs/dbraw/zinc/08/96/83/643089683.db2.gz HRMAWUBDYJMPQM-YFHOEESVSA-N -1 3 248.282 0.931 20 0 BCADHM CCOCCO[N-]C(=O)C1=COCCC1 ZINC000184800565 643239007 /nfs/dbraw/zinc/23/90/07/643239007.db2.gz OMNHODYKZFULQJ-UHFFFAOYSA-N -1 3 215.249 0.765 20 0 BCADHM CCNC(=O)CCCC(=O)[N-]OC1CCC1 ZINC000812788455 643377648 /nfs/dbraw/zinc/37/76/48/643377648.db2.gz XDMVJIDEWVEJLU-UHFFFAOYSA-N -1 3 228.292 0.893 20 0 BCADHM C[C@H]1C[C@@H](Nc2cc(=O)[n-]cn2)CCO1 ZINC000235734890 643472583 /nfs/dbraw/zinc/47/25/83/643472583.db2.gz OYDMGAHTPSOLMG-YUMQZZPRSA-N -1 3 209.249 0.749 20 0 BCADHM CCOC(=O)Cn1[n-]c(C)c(F)c1=O ZINC000149955194 643520431 /nfs/dbraw/zinc/52/04/31/643520431.db2.gz QCNKHBXBLYKGSN-SSDOTTSWSA-N -1 3 202.185 0.106 20 0 BCADHM CO[N-]C(=O)[C@@H]1CNCc2ccccc21 ZINC000083643663 643603098 /nfs/dbraw/zinc/60/30/98/643603098.db2.gz UPMXBSGDVMVBDW-SNVBAGLBSA-N -1 3 206.245 0.551 20 0 BCADHM CC(C)N(C)S(=O)(=O)[N-]CC(F)F ZINC000074969678 643684579 /nfs/dbraw/zinc/68/45/79/643684579.db2.gz ZHBPGGGPAYQKCH-UHFFFAOYSA-N -1 3 216.253 0.426 20 0 BCADHM CC(=O)NCC1CN(C(=O)c2ccccc2[O-])C1 ZINC001000571781 643792076 /nfs/dbraw/zinc/79/20/76/643792076.db2.gz AUGYZTDKXKISSV-UHFFFAOYSA-N -1 3 248.282 0.600 20 0 BCADHM CO[N-]C(=O)CNCc1ccnn1CC(C)C ZINC000922827060 644102419 /nfs/dbraw/zinc/10/24/19/644102419.db2.gz DXMPRBGHBIVXCC-UHFFFAOYSA-N -1 3 240.307 0.306 20 0 BCADHM CO[N-]C(=O)CNCc1ccnn1C1CCC1 ZINC000922828541 644104307 /nfs/dbraw/zinc/10/43/07/644104307.db2.gz TXTKXFNOXWCXOU-UHFFFAOYSA-N -1 3 238.291 0.375 20 0 BCADHM CCOc1cccc(CNCC(=O)[N-]OC)n1 ZINC000922829381 644106235 /nfs/dbraw/zinc/10/62/35/644106235.db2.gz GUEFDLVQEGAQHC-UHFFFAOYSA-N -1 3 239.275 0.248 20 0 BCADHM CO[N-]C(=O)CNCc1cc(F)cc(F)c1 ZINC000922830020 644115161 /nfs/dbraw/zinc/11/51/61/644115161.db2.gz MQABBDOIAFWGMZ-UHFFFAOYSA-N -1 3 230.214 0.732 20 0 BCADHM CO[N-]C(=O)CCC(=O)OC(C)(C)C ZINC000192382489 644149150 /nfs/dbraw/zinc/14/91/50/644149150.db2.gz WBHIPGMOMLRDOI-UHFFFAOYSA-N -1 3 203.238 0.786 20 0 BCADHM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)Cc1c[nH]cn1 ZINC000923150478 644279934 /nfs/dbraw/zinc/27/99/34/644279934.db2.gz VJIGUGBGICEFHK-PELKAZGASA-N -1 3 249.270 0.418 20 0 BCADHM O=C([N-]O[C@@H]1CCCCO1)c1ccc(=O)[nH]c1 ZINC000195460065 644392023 /nfs/dbraw/zinc/39/20/23/644392023.db2.gz SZXOBJOZIKPXQK-SNVBAGLBSA-N -1 3 238.243 0.975 20 0 BCADHM CCCN(C)CC(=O)NCCN(CC)C(=O)[O-] ZINC000739350811 644500334 /nfs/dbraw/zinc/50/03/34/644500334.db2.gz OOOIXZROJZJVBD-UHFFFAOYSA-N -1 3 245.323 0.444 20 0 BCADHM CC(C)=C[C@H]1[C@@H](C(=O)[N-]OCC(N)=O)C1(C)C ZINC000089464426 644553451 /nfs/dbraw/zinc/55/34/51/644553451.db2.gz CCGXOBFTHNYADF-WPRPVWTQSA-N -1 3 240.303 0.758 20 0 BCADHM CC(C)(C)CCC(=O)[N-]OCC(N)=O ZINC000089465556 644553601 /nfs/dbraw/zinc/55/36/01/644553601.db2.gz BJKVVZHLWUGDMF-UHFFFAOYSA-N -1 3 202.254 0.346 20 0 BCADHM NC(=O)CO[N-]C(=O)Cc1cccc(Cl)c1 ZINC000089465350 644553642 /nfs/dbraw/zinc/55/36/42/644553642.db2.gz SWJVTPMYNXCWKW-UHFFFAOYSA-N -1 3 242.662 0.416 20 0 BCADHM NC(=O)CO[N-]C(=O)Cc1ccccc1Cl ZINC000089508887 644557429 /nfs/dbraw/zinc/55/74/29/644557429.db2.gz MOWFWLLTQUENIC-UHFFFAOYSA-N -1 3 242.662 0.416 20 0 BCADHM CN(CC(C)(C)O)C(=O)c1ccc(O)cc1[O-] ZINC000092965489 644675419 /nfs/dbraw/zinc/67/54/19/644675419.db2.gz HIMXRTDTGHXXAD-UHFFFAOYSA-N -1 3 239.271 0.941 20 0 BCADHM C[C@H](CS(C)(=O)=O)C(=O)[N-]OC1CCCC1 ZINC000774863914 644698219 /nfs/dbraw/zinc/69/82/19/644698219.db2.gz KXCNYACHFXGKAU-MRVPVSSYSA-N -1 3 249.332 0.658 20 0 BCADHM O=C(NCc1ncccc1[O-])c1ccc[n+]([O-])c1 ZINC000792610827 644799372 /nfs/dbraw/zinc/79/93/72/644799372.db2.gz AUOURSMRJJMKAT-UHFFFAOYSA-N -1 3 245.238 0.351 20 0 BCADHM C[C@@H](CO)CNc1cccc(-c2nnn[n-]2)c1 ZINC000824440568 645055991 /nfs/dbraw/zinc/05/59/91/645055991.db2.gz GCJAVVAJHQUTBD-MRVPVSSYSA-N -1 3 233.275 0.907 20 0 BCADHM C[C@@H](CO)CNc1cccc(-c2nn[n-]n2)c1 ZINC000824440568 645055993 /nfs/dbraw/zinc/05/59/93/645055993.db2.gz GCJAVVAJHQUTBD-MRVPVSSYSA-N -1 3 233.275 0.907 20 0 BCADHM CC[C@@](C)(O)CNc1cnccc1-c1nnn[n-]1 ZINC000825050393 645060125 /nfs/dbraw/zinc/06/01/25/645060125.db2.gz IPRXICOJJGHYSZ-LLVKDONJSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@](C)(O)CNc1cnccc1-c1nn[n-]n1 ZINC000825050393 645060130 /nfs/dbraw/zinc/06/01/30/645060130.db2.gz IPRXICOJJGHYSZ-LLVKDONJSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@H](CN(C)c1cc(F)ncn1)c1nnn[n-]1 ZINC000853477458 645494272 /nfs/dbraw/zinc/49/42/72/645494272.db2.gz TVIOMUQKIOSGMS-ZCFIWIBFSA-N -1 3 237.242 0.369 20 0 BCADHM C[C@H](CN(C)c1cc(F)ncn1)c1nn[n-]n1 ZINC000853477458 645494278 /nfs/dbraw/zinc/49/42/78/645494278.db2.gz TVIOMUQKIOSGMS-ZCFIWIBFSA-N -1 3 237.242 0.369 20 0 BCADHM CC(C)O[N-]C(=O)CCCNC(=O)C1CC1 ZINC000857522983 645591105 /nfs/dbraw/zinc/59/11/05/645591105.db2.gz URPTUOYCPWMVQZ-UHFFFAOYSA-N -1 3 228.292 0.749 20 0 BCADHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000928037240 645676691 /nfs/dbraw/zinc/67/66/91/645676691.db2.gz VLSIMKSVOIHGGR-LURQLKTLSA-N -1 3 233.271 0.957 20 0 BCADHM CCCO[N-]C(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC000862103102 645694358 /nfs/dbraw/zinc/69/43/58/645694358.db2.gz BEMTUVGVZURHPB-YUMQZZPRSA-N -1 3 214.265 0.359 20 0 BCADHM O=C(c1ccccc1[O-])N1CCOCN1 ZINC000928954075 645911221 /nfs/dbraw/zinc/91/12/21/645911221.db2.gz WEQHBGWUEQDWQI-UHFFFAOYSA-N -1 3 208.217 0.327 20 0 BCADHM CC(C)[S@@](C)(=O)=NC(=O)c1cc(=O)[n-]cn1 ZINC000926051451 646565787 /nfs/dbraw/zinc/56/57/87/646565787.db2.gz WPOQUVVJTNQOHG-MRXNPFEDSA-N -1 3 243.288 0.829 20 0 BCADHM O=C([N-][C@H]1CC12CC(O)C2)C(F)(F)C(F)F ZINC000724918979 711628107 /nfs/dbraw/zinc/62/81/07/711628107.db2.gz ZBORSOJLTSFLPK-OBTXSVHCSA-N -1 3 241.184 0.916 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CCO[C@H]2C)[n-]1 ZINC000228777793 711836618 /nfs/dbraw/zinc/83/66/18/711836618.db2.gz GGDMMRPEBLZBOP-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CCO[C@H]2C)n[n-]1 ZINC000228777793 711836619 /nfs/dbraw/zinc/83/66/19/711836619.db2.gz GGDMMRPEBLZBOP-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CCO[C@H]2C)n1 ZINC000228777793 711836620 /nfs/dbraw/zinc/83/66/20/711836620.db2.gz GGDMMRPEBLZBOP-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nnc(NC(=O)[C@]2(C)CCCO2)[n-]1 ZINC000228777883 711836670 /nfs/dbraw/zinc/83/66/70/711836670.db2.gz WVTWZIZGEKVUIV-JTQLQIEISA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1nc(NC(=O)[C@]2(C)CCCO2)n[n-]1 ZINC000228777883 711836671 /nfs/dbraw/zinc/83/66/71/711836671.db2.gz WVTWZIZGEKVUIV-JTQLQIEISA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@]2(C)CCCO2)n1 ZINC000228777883 711836672 /nfs/dbraw/zinc/83/66/72/711836672.db2.gz WVTWZIZGEKVUIV-JTQLQIEISA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CCO[C@@H]2C)[n-]1 ZINC000228777772 711836682 /nfs/dbraw/zinc/83/66/82/711836682.db2.gz GGDMMRPEBLZBOP-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CCO[C@@H]2C)n[n-]1 ZINC000228777772 711836684 /nfs/dbraw/zinc/83/66/84/711836684.db2.gz GGDMMRPEBLZBOP-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CCO[C@@H]2C)n1 ZINC000228777772 711836685 /nfs/dbraw/zinc/83/66/85/711836685.db2.gz GGDMMRPEBLZBOP-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM CC(C)(O)[C@@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000706813052 712156650 /nfs/dbraw/zinc/15/66/50/712156650.db2.gz BVTKTQIJJLXDIQ-QMMMGPOBSA-N -1 3 223.276 0.922 20 0 BCADHM O=c1cc(N2CCC[C@@H](O)CC2)nc[n-]1 ZINC000378769851 712360503 /nfs/dbraw/zinc/36/05/03/712360503.db2.gz FGIDJLRASHCPTR-MRVPVSSYSA-N -1 3 209.249 0.533 20 0 BCADHM CCN1CC(NC(=O)c2ccccc2[O-])C1 ZINC000379093864 712369316 /nfs/dbraw/zinc/36/93/16/712369316.db2.gz KAJJAUUUXQJMFC-UHFFFAOYSA-N -1 3 220.272 0.826 20 0 BCADHM CCN=c1[n-]cc(C(=O)OCCO)s1 ZINC000379524631 712387170 /nfs/dbraw/zinc/38/71/70/712387170.db2.gz FQUKNZUZFJTIIA-UHFFFAOYSA-N -1 3 216.262 0.146 20 0 BCADHM CN1CC[C@@H]1CNC(=O)c1cncc([O-])c1 ZINC000712305022 712396239 /nfs/dbraw/zinc/39/62/39/712396239.db2.gz XZRRIYUZZYTRFW-SECBINFHSA-N -1 3 221.260 0.221 20 0 BCADHM CCOc1nnc(NC(=O)COC2CC2)[n-]1 ZINC000716917527 712582083 /nfs/dbraw/zinc/58/20/83/712582083.db2.gz OTFGQFMRBSUGNJ-UHFFFAOYSA-N -1 3 226.236 0.321 20 0 BCADHM CCOc1nc(NC(=O)COC2CC2)n[n-]1 ZINC000716917527 712582084 /nfs/dbraw/zinc/58/20/84/712582084.db2.gz OTFGQFMRBSUGNJ-UHFFFAOYSA-N -1 3 226.236 0.321 20 0 BCADHM CCOc1n[n-]c(NC(=O)COC2CC2)n1 ZINC000716917527 712582085 /nfs/dbraw/zinc/58/20/85/712582085.db2.gz OTFGQFMRBSUGNJ-UHFFFAOYSA-N -1 3 226.236 0.321 20 0 BCADHM C[C@H](O)[C@H](O)CNCc1cccc([O-])c1Cl ZINC000717357366 712650434 /nfs/dbraw/zinc/65/04/34/712650434.db2.gz CBOYNCGIFRNNJA-OIBJUYFYSA-N -1 3 245.706 0.877 20 0 BCADHM C[C@@H](O)[C@@H](O)CNCc1cccc([O-])c1Cl ZINC000717357370 712650454 /nfs/dbraw/zinc/65/04/54/712650454.db2.gz CBOYNCGIFRNNJA-XCBNKYQSSA-N -1 3 245.706 0.877 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2C[C@H](C)CO2)[n-]1 ZINC000718481657 712765619 /nfs/dbraw/zinc/76/56/19/712765619.db2.gz RGIDCFKHWHMXOM-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2C[C@H](C)CO2)n[n-]1 ZINC000718481657 712765620 /nfs/dbraw/zinc/76/56/20/712765620.db2.gz RGIDCFKHWHMXOM-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2C[C@H](C)CO2)n1 ZINC000718481657 712765621 /nfs/dbraw/zinc/76/56/21/712765621.db2.gz RGIDCFKHWHMXOM-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2C[C@@H](C)CO2)[n-]1 ZINC000718481662 712765658 /nfs/dbraw/zinc/76/56/58/712765658.db2.gz RGIDCFKHWHMXOM-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2C[C@@H](C)CO2)n[n-]1 ZINC000718481662 712765659 /nfs/dbraw/zinc/76/56/59/712765659.db2.gz RGIDCFKHWHMXOM-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2C[C@@H](C)CO2)n1 ZINC000718481662 712765660 /nfs/dbraw/zinc/76/56/60/712765660.db2.gz RGIDCFKHWHMXOM-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM CC(=O)N1CCC[C@H](C(=O)[N-]OC(C)C)C1 ZINC000382158291 710801623 /nfs/dbraw/zinc/80/16/23/710801623.db2.gz HCGLFOCYJGSVQU-JTQLQIEISA-N -1 3 228.292 0.701 20 0 BCADHM CC1(C)CN(c2cc(=O)[n-]cn2)C[C@H]1O ZINC000388099146 711052434 /nfs/dbraw/zinc/05/24/34/711052434.db2.gz WTSBAMFGIZAXJO-SSDOTTSWSA-N -1 3 209.249 0.389 20 0 BCADHM Cn1cc(CNCc2ccc([O-])c(F)c2)nn1 ZINC000389807619 711089507 /nfs/dbraw/zinc/08/95/07/711089507.db2.gz AOLRTKYHHIYXAT-UHFFFAOYSA-N -1 3 236.250 0.950 20 0 BCADHM CCO[N-]C(=O)CNCc1cccnc1 ZINC000389869792 711094152 /nfs/dbraw/zinc/09/41/52/711094152.db2.gz IVSZGGAACLJNEU-UHFFFAOYSA-N -1 3 209.249 0.239 20 0 BCADHM Cn1ncc(CNC(=O)c2ccccc2[O-])n1 ZINC000390009798 711104325 /nfs/dbraw/zinc/10/43/25/711104325.db2.gz YOEUNQQNVBQIGT-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM O=c1cc(N[C@@H]2CCCCNC2=O)nc[n-]1 ZINC000391521975 711138478 /nfs/dbraw/zinc/13/84/78/711138478.db2.gz BKMVKFGMOWDALX-SSDOTTSWSA-N -1 3 222.248 0.263 20 0 BCADHM Cc1nc(N[C@H]2CCCCNC2=O)cc(=O)[n-]1 ZINC000391499192 711139067 /nfs/dbraw/zinc/13/90/67/711139067.db2.gz VEBDFPWYGLGEKS-QMMMGPOBSA-N -1 3 236.275 0.571 20 0 BCADHM O=c1cc(NCCC2(O)CCC2)nc[n-]1 ZINC000398214785 711405149 /nfs/dbraw/zinc/40/51/49/711405149.db2.gz KDTCHWAUKAHBRP-UHFFFAOYSA-N -1 3 209.249 0.899 20 0 BCADHM COC(=O)[C@@H]1CCN(c2cc(=O)[n-]cn2)[C@H]1C ZINC000893420002 711721573 /nfs/dbraw/zinc/72/15/73/711721573.db2.gz INSXZERAFIIONC-JGVFFNPUSA-N -1 3 237.259 0.570 20 0 BCADHM CC(=O)[N-]O[C@H](C)C(=O)N1CCC(C)CC1 ZINC000180807860 711890377 /nfs/dbraw/zinc/89/03/77/711890377.db2.gz DXCKPUGFGSWAFM-SECBINFHSA-N -1 3 228.292 0.701 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C(N)=O)C1 ZINC000706655561 712151037 /nfs/dbraw/zinc/15/10/37/712151037.db2.gz QXKKVCNZVLZWBQ-SECBINFHSA-N -1 3 248.282 0.648 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCc1cnnn1C ZINC000706673894 712151353 /nfs/dbraw/zinc/15/13/53/712151353.db2.gz KQZIXZAOSHUQKS-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM O=C([N-][C@H]1C[C@@H](CO)C1)C(F)(F)C(F)F ZINC000707672031 712176267 /nfs/dbraw/zinc/17/62/67/712176267.db2.gz HFTGQJUUEHZREN-SYDPRGILSA-N -1 3 229.173 0.774 20 0 BCADHM CC[C@@]1(O)CCCN(c2cc(=O)[n-]cn2)C1 ZINC000710667909 712265317 /nfs/dbraw/zinc/26/53/17/712265317.db2.gz OEYLPKMRVRORRD-LLVKDONJSA-N -1 3 223.276 0.924 20 0 BCADHM CO[C@H]1CN(CCOC2CC2)[C@@](C)(C(=O)[O-])C1 ZINC000711750917 712323902 /nfs/dbraw/zinc/32/39/02/712323902.db2.gz BWMGPZPNDIQLIG-ZYHUDNBSSA-N -1 3 243.303 0.729 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OC1CCC1 ZINC000812788167 712586732 /nfs/dbraw/zinc/58/67/32/712586732.db2.gz PYKDIBUYVIJMMP-JGVFFNPUSA-N -1 3 213.233 0.396 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H]1COCCC1=O ZINC000717162947 712638402 /nfs/dbraw/zinc/63/84/02/712638402.db2.gz NMUYEXJCGLVHQE-VIFPVBQESA-N -1 3 249.266 0.788 20 0 BCADHM CN(CCNc1ccc(C(=O)[O-])nn1)C1CC1 ZINC000062010551 349436452 /nfs/dbraw/zinc/43/64/52/349436452.db2.gz GGOQDMGZQLCZPK-UHFFFAOYSA-N -1 3 236.275 0.681 20 0 BCADHM C[C@H](O)CC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000082996731 349445000 /nfs/dbraw/zinc/44/50/00/349445000.db2.gz JNOSWKJVYAJZRU-ZETCQYMHSA-N -1 3 248.279 0.270 20 0 BCADHM CCC(CC)(CNC(=O)c1c[n-]nn1)OC ZINC000292571901 168326083 /nfs/dbraw/zinc/32/60/83/168326083.db2.gz OPLVQVKFFOKGMH-UHFFFAOYSA-N -1 3 226.280 0.740 20 0 BCADHM CCC(CC)(CNC(=O)c1cnn[n-]1)OC ZINC000292571901 168326085 /nfs/dbraw/zinc/32/60/85/168326085.db2.gz OPLVQVKFFOKGMH-UHFFFAOYSA-N -1 3 226.280 0.740 20 0 BCADHM CCC(CC)(CNC(=O)c1cn[n-]n1)OC ZINC000292571901 168326086 /nfs/dbraw/zinc/32/60/86/168326086.db2.gz OPLVQVKFFOKGMH-UHFFFAOYSA-N -1 3 226.280 0.740 20 0 BCADHM CNC(=S)NN=c1cncc(Cl)[n-]1 ZINC000306274437 398148953 /nfs/dbraw/zinc/14/89/53/398148953.db2.gz FLSBDWMFFCYBRQ-UHFFFAOYSA-N -1 3 217.685 0.551 20 0 BCADHM C[C@@H]1COCC[C@@H]1C(=O)Nc1ccncc1[O-] ZINC000408438183 398170240 /nfs/dbraw/zinc/17/02/40/398170240.db2.gz GHVXPECAHNQLGT-BDAKNGLRSA-N -1 3 236.271 0.820 20 0 BCADHM CC(C)CN(C)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000336682564 398185556 /nfs/dbraw/zinc/18/55/56/398185556.db2.gz RYDFTXPUQPZXIR-UHFFFAOYSA-N -1 3 220.280 0.809 20 0 BCADHM Cc1cc([N-]C(=O)Cn2nnc(C3CC3)n2)on1 ZINC000193606989 178135498 /nfs/dbraw/zinc/13/54/98/178135498.db2.gz GETDTFKBKSUAPW-UHFFFAOYSA-N -1 3 248.246 0.486 20 0 BCADHM O=c1[n-]c(=O)n(Cc2nccs2)cc1Cl ZINC000094975273 398208000 /nfs/dbraw/zinc/20/80/00/398208000.db2.gz YGSOYDWPOCMSNR-UHFFFAOYSA-N -1 3 243.675 0.695 20 0 BCADHM Cc1cc(NC(=O)c2nnc[n-]2)nn1C ZINC000300759585 178152354 /nfs/dbraw/zinc/15/23/54/178152354.db2.gz IEJAZGIQORFRTL-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM Cc1cc(NC(=O)c2nc[n-]n2)nn1C ZINC000300759585 178152356 /nfs/dbraw/zinc/15/23/56/178152356.db2.gz IEJAZGIQORFRTL-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM CN(CC1(C)COC1)c1nc2nncc-2c(O)[n-]1 ZINC000624528149 343987483 /nfs/dbraw/zinc/98/74/83/343987483.db2.gz GSXXLJWOECOJPK-UHFFFAOYSA-N -1 3 249.274 0.531 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2nc[nH]n2)n1 ZINC000192616170 178204106 /nfs/dbraw/zinc/20/41/06/178204106.db2.gz KPBCINUNFRARKW-QMMMGPOBSA-N -1 3 248.290 0.802 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2nnc[nH]2)n1 ZINC000192616170 178204109 /nfs/dbraw/zinc/20/41/09/178204109.db2.gz KPBCINUNFRARKW-QMMMGPOBSA-N -1 3 248.290 0.802 20 0 BCADHM C[C@@H](CCO)NC(=O)c1cccc2nn[n-]c21 ZINC000164963732 538934390 /nfs/dbraw/zinc/93/43/90/538934390.db2.gz DWNQGHSXRGADAL-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM C[C@@H](CCO)NC(=O)c1cccc2[n-]nnc21 ZINC000164963732 538934391 /nfs/dbraw/zinc/93/43/91/538934391.db2.gz DWNQGHSXRGADAL-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM C[C@@H](CCO)NC(=O)c1cccc2n[n-]nc21 ZINC000164963732 538934392 /nfs/dbraw/zinc/93/43/92/538934392.db2.gz DWNQGHSXRGADAL-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM CC(C)Cn1cc(NC(=O)c2cnn[n-]2)cn1 ZINC000266411318 187332856 /nfs/dbraw/zinc/33/28/56/187332856.db2.gz ZYNDOJWJGVDWGS-UHFFFAOYSA-N -1 3 234.263 0.910 20 0 BCADHM CC(C)Cn1cc(NC(=O)c2c[n-]nn2)cn1 ZINC000266411318 187332858 /nfs/dbraw/zinc/33/28/58/187332858.db2.gz ZYNDOJWJGVDWGS-UHFFFAOYSA-N -1 3 234.263 0.910 20 0 BCADHM CC(C)Cn1cc(NC(=O)c2cn[n-]n2)cn1 ZINC000266411318 187332860 /nfs/dbraw/zinc/33/28/60/187332860.db2.gz ZYNDOJWJGVDWGS-UHFFFAOYSA-N -1 3 234.263 0.910 20 0 BCADHM CC(C)CSCCNC(=O)c1c[n-]nn1 ZINC000270096553 187334804 /nfs/dbraw/zinc/33/48/04/187334804.db2.gz CVGSPOJNTZOTMV-UHFFFAOYSA-N -1 3 228.321 0.924 20 0 BCADHM CC(C)CSCCNC(=O)c1cnn[n-]1 ZINC000270096553 187334806 /nfs/dbraw/zinc/33/48/06/187334806.db2.gz CVGSPOJNTZOTMV-UHFFFAOYSA-N -1 3 228.321 0.924 20 0 BCADHM CC(C)CSCCNC(=O)c1cn[n-]n1 ZINC000270096553 187334808 /nfs/dbraw/zinc/33/48/08/187334808.db2.gz CVGSPOJNTZOTMV-UHFFFAOYSA-N -1 3 228.321 0.924 20 0 BCADHM CC[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)OC ZINC000336715492 398240838 /nfs/dbraw/zinc/24/08/38/398240838.db2.gz WSXKNLAXTCROJC-SSDOTTSWSA-N -1 3 233.293 0.113 20 0 BCADHM C[C@@H](F)CC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000576633198 365644078 /nfs/dbraw/zinc/64/40/78/365644078.db2.gz DKEGBNKCFADVMH-SSDOTTSWSA-N -1 3 235.284 0.447 20 0 BCADHM O=C(NCCn1cnnc1)c1c([O-])cccc1O ZINC000381173339 398252405 /nfs/dbraw/zinc/25/24/05/398252405.db2.gz CPZROWUVNASKEC-UHFFFAOYSA-N -1 3 248.242 0.119 20 0 BCADHM CC(C)CC[C@@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000624530639 343996751 /nfs/dbraw/zinc/99/67/51/343996751.db2.gz PZPVKRDHUHDMDZ-VIFPVBQESA-N -1 3 249.318 0.935 20 0 BCADHM Cn1ccc(C(=O)Nc2ncccc2[O-])cc1=O ZINC000044605487 342689099 /nfs/dbraw/zinc/68/90/99/342689099.db2.gz AGQSVZULRBTVLT-UHFFFAOYSA-N -1 3 245.238 0.738 20 0 BCADHM C[C@@H](COCC1CC1)N=c1ncnc2[nH][n-]cc1-2 ZINC000649477964 398275465 /nfs/dbraw/zinc/27/54/65/398275465.db2.gz NBTJTOQMJDNJDN-QMMMGPOBSA-N -1 3 247.302 0.953 20 0 BCADHM CC(C)(O)CNC(=O)c1ccc(O)cc1[O-] ZINC000083466859 398282818 /nfs/dbraw/zinc/28/28/18/398282818.db2.gz UNPRPJPSNWNOKQ-UHFFFAOYSA-N -1 3 225.244 0.599 20 0 BCADHM CC(C)n1[nH]cnc1=NC(=O)c1cc(=O)[n-]cn1 ZINC000630009192 361894468 /nfs/dbraw/zinc/89/44/68/361894468.db2.gz JWBLZXHBARVPHI-UHFFFAOYSA-N -1 3 248.246 0.029 20 0 BCADHM COC1(C)CN(C(=O)c2cc(C)nc(=O)[n-]2)C1 ZINC000347689899 536584116 /nfs/dbraw/zinc/58/41/16/536584116.db2.gz ACSHCBHGYKEQFF-UHFFFAOYSA-N -1 3 237.259 0.352 20 0 BCADHM CC(C)(C(N)=O)C(=O)Nc1ccc([O-])cc1F ZINC000683498788 488180737 /nfs/dbraw/zinc/18/07/37/488180737.db2.gz BMBLSIYKOGUWNI-UHFFFAOYSA-N -1 3 240.234 0.981 20 0 BCADHM CC(C)(C)OCCNC(=O)c1cc(=O)[n-]cn1 ZINC000624892259 342836753 /nfs/dbraw/zinc/83/67/53/342836753.db2.gz VECOBFNLZNTXLH-UHFFFAOYSA-N -1 3 239.275 0.727 20 0 BCADHM O=C(NC1CCSCC1)c1cc(=O)[n-]cn1 ZINC000625002482 342842419 /nfs/dbraw/zinc/84/24/19/342842419.db2.gz JSRMWKRCDJAAFV-UHFFFAOYSA-N -1 3 239.300 0.808 20 0 BCADHM Cn1cncc1CNC(=O)c1c([O-])cccc1O ZINC000388456808 539014427 /nfs/dbraw/zinc/01/44/27/539014427.db2.gz YLZQAAXTCSONMD-UHFFFAOYSA-N -1 3 247.254 0.761 20 0 BCADHM C[C@@H]1C[C@@H]1c1noc([C@@H]2CCS(=O)(=O)[N-]2)n1 ZINC000650563141 398298428 /nfs/dbraw/zinc/29/84/28/398298428.db2.gz MWAUWQMIGIYJMS-VQVTYTSYSA-N -1 3 243.288 0.557 20 0 BCADHM CCc1nc(=NC[C@](C)(N)COC)s[n-]1 ZINC000389647125 539016897 /nfs/dbraw/zinc/01/68/97/539016897.db2.gz UBVDVSIBWHOBQQ-VIFPVBQESA-N -1 3 230.337 0.298 20 0 BCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(=O)[n-]cn1 ZINC000627992266 342855202 /nfs/dbraw/zinc/85/52/02/342855202.db2.gz SOMRAEYEHCTFQP-BHNWBGBOSA-N -1 3 235.243 0.232 20 0 BCADHM C[C@H](O)CCN(C)C(=O)c1ccc(O)cc1[O-] ZINC000166980862 398310416 /nfs/dbraw/zinc/31/04/16/398310416.db2.gz ZVIONGFUFSPUQB-QMMMGPOBSA-N -1 3 239.271 0.941 20 0 BCADHM C[C@H](O)CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000352609700 398321814 /nfs/dbraw/zinc/32/18/14/398321814.db2.gz JTEQRIZPELGPJS-QMMMGPOBSA-N -1 3 246.270 0.582 20 0 BCADHM CC[C@@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000233890743 342913355 /nfs/dbraw/zinc/91/33/55/342913355.db2.gz VXYJXKTVXMJXQQ-IWSPIJDZSA-N -1 3 228.292 0.435 20 0 BCADHM CN(CC(=O)[O-])C(=O)[C@H]1NCCCC1(C)C ZINC000234273839 342919538 /nfs/dbraw/zinc/91/95/38/342919538.db2.gz PDKRIHGZZRPYDV-SECBINFHSA-N -1 3 228.292 0.308 20 0 BCADHM O=S(=O)([N-]C[C@H]1C[C@@H](O)C1)c1cscn1 ZINC000625568503 344010019 /nfs/dbraw/zinc/01/00/19/344010019.db2.gz LESXUUXBKDNTQL-KNVOCYPGSA-N -1 3 248.329 0.192 20 0 BCADHM C[C@@H]1CCc2c1[n-]n(CCN(C)C)c2=O ZINC000634590377 342937528 /nfs/dbraw/zinc/93/75/28/342937528.db2.gz XMOPNRODNLBXLA-RKDXNWHRSA-N -1 3 209.293 0.792 20 0 BCADHM COC(=O)[C@H](C)[N-]C(=O)C(C)(Cl)Cl ZINC000271952652 398343325 /nfs/dbraw/zinc/34/33/25/398343325.db2.gz OZKYPGVVBUEFKJ-BYPYZUCNSA-N -1 3 228.075 0.858 20 0 BCADHM C[C@@H]1CCSCCN1CCOCC(=O)[O-] ZINC000565108018 323022804 /nfs/dbraw/zinc/02/28/04/323022804.db2.gz UCRLKMBOTBDXGB-SECBINFHSA-N -1 3 233.333 0.915 20 0 BCADHM CCn1ccnc1/C=C\C(=O)[N-]OCCOC ZINC000492956882 529559363 /nfs/dbraw/zinc/55/93/63/529559363.db2.gz RHQMRYOBCQMRNV-PLNGDYQASA-N -1 3 239.275 0.610 20 0 BCADHM c1[n-][nH]c2ncnc(=NCCN3CC=CCC3)c1-2 ZINC000357656313 187214974 /nfs/dbraw/zinc/21/49/74/187214974.db2.gz DDHCMHITOJEYTR-UHFFFAOYSA-N -1 3 244.302 0.400 20 0 BCADHM C[C@@H](CO)n1[n-]c(=O)c2ccccc2c1=O ZINC000634617789 343015727 /nfs/dbraw/zinc/01/57/27/343015727.db2.gz XZEMGVJDHYGEBA-ZETCQYMHSA-N -1 3 220.228 0.655 20 0 BCADHM O=c1[n-]nc(CN2CCO[C@H]3CCC[C@H]32)s1 ZINC000368505024 187220719 /nfs/dbraw/zinc/22/07/19/187220719.db2.gz TXSDNEBFBZRXQI-SFYZADRCSA-N -1 3 241.316 0.997 20 0 BCADHM Cc1ccc([O-])c(NC(=O)CNC(=O)C2CC2)n1 ZINC000576860514 365705464 /nfs/dbraw/zinc/70/54/64/365705464.db2.gz ZJKHJPKKCIFBLL-UHFFFAOYSA-N -1 3 249.270 0.560 20 0 BCADHM C[C@H](O)C[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000228189267 187229066 /nfs/dbraw/zinc/22/90/66/187229066.db2.gz KVDKTLXPBOLBNM-YUMQZZPRSA-N -1 3 248.286 0.847 20 0 BCADHM CC[C@H]1CCC[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC000328607673 187230498 /nfs/dbraw/zinc/23/04/98/187230498.db2.gz LJOSVXIFIMBKII-DTWKUNHWSA-N -1 3 224.308 0.777 20 0 BCADHM CC(C)C(=O)N[C@H]1CCCN(CC(=O)[O-])C1 ZINC000108162606 343075574 /nfs/dbraw/zinc/07/55/74/343075574.db2.gz FYTZOFLQOXJODF-VIFPVBQESA-N -1 3 228.292 0.308 20 0 BCADHM CN(C[C@@H](O)C(F)(F)F)C(C)(C)C(=O)[O-] ZINC000082681347 362099963 /nfs/dbraw/zinc/09/99/63/362099963.db2.gz KBGAJHIRRDQWOK-RXMQYKEDSA-N -1 3 229.198 0.705 20 0 BCADHM CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000047167110 187232852 /nfs/dbraw/zinc/23/28/52/187232852.db2.gz PMVQDSXJYDMTBC-GFCCVEGCSA-N -1 3 247.254 0.700 20 0 BCADHM CC[C@@H](C)CNC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000421580119 192356347 /nfs/dbraw/zinc/35/63/47/192356347.db2.gz MOKIDXLUKJUBSP-SSDOTTSWSA-N -1 3 239.275 0.262 20 0 BCADHM C[C@H](CN1CCCCC1)NC(=O)[C@H](C)C(=O)[O-] ZINC000122056834 343158335 /nfs/dbraw/zinc/15/83/35/343158335.db2.gz KSZUXDPANZXUFH-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM COc1nc(NC(=O)[C@@]2(C)C[C@@H]2F)n[n-]1 ZINC000331578813 187242119 /nfs/dbraw/zinc/24/21/19/187242119.db2.gz ZUJLZJMNWMEJAT-NVNXEXLPSA-N -1 3 214.200 0.500 20 0 BCADHM COc1nnc(NC(=O)[C@@]2(C)C[C@@H]2F)[n-]1 ZINC000331578813 187242120 /nfs/dbraw/zinc/24/21/20/187242120.db2.gz ZUJLZJMNWMEJAT-NVNXEXLPSA-N -1 3 214.200 0.500 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@]2(C)C[C@@H]2F)n1 ZINC000331578813 187242122 /nfs/dbraw/zinc/24/21/22/187242122.db2.gz ZUJLZJMNWMEJAT-NVNXEXLPSA-N -1 3 214.200 0.500 20 0 BCADHM O=C([O-])c1cnccc1N1CCC[C@H](CO)C1 ZINC000125969735 343168470 /nfs/dbraw/zinc/16/84/70/343168470.db2.gz RHSPXJCHPGZGCW-VIFPVBQESA-N -1 3 236.271 0.989 20 0 BCADHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)C1(CO)CC1 ZINC000628064235 343213127 /nfs/dbraw/zinc/21/31/27/343213127.db2.gz ACPKRBBHDUKDOJ-SSDOTTSWSA-N -1 3 237.259 0.073 20 0 BCADHM CC(=O)NCCNC(=O)c1cccc([O-])c1 ZINC000035128358 343285760 /nfs/dbraw/zinc/28/57/60/343285760.db2.gz NBXBXIJOJRSEHD-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM O=C(NC1CC1)c1cccc2nn[n-]c21 ZINC000163438561 323040414 /nfs/dbraw/zinc/04/04/14/323040414.db2.gz YTBNRUQTDTVGNI-UHFFFAOYSA-N -1 3 202.217 0.850 20 0 BCADHM O=C(NC1CC1)c1cccc2[n-]nnc21 ZINC000163438561 323040415 /nfs/dbraw/zinc/04/04/15/323040415.db2.gz YTBNRUQTDTVGNI-UHFFFAOYSA-N -1 3 202.217 0.850 20 0 BCADHM O=C(NC1CC1)c1cccc2n[n-]nc21 ZINC000163438561 323040416 /nfs/dbraw/zinc/04/04/16/323040416.db2.gz YTBNRUQTDTVGNI-UHFFFAOYSA-N -1 3 202.217 0.850 20 0 BCADHM CCCCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947809 343294367 /nfs/dbraw/zinc/29/43/67/343294367.db2.gz FNOBOLGLTZDJSE-UHFFFAOYSA-N -1 3 217.294 0.878 20 0 BCADHM CCC(CC)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947753 343294434 /nfs/dbraw/zinc/29/44/34/343294434.db2.gz NZQAABRXKRCZRK-UHFFFAOYSA-N -1 3 217.294 0.877 20 0 BCADHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069949018 343294754 /nfs/dbraw/zinc/29/47/54/343294754.db2.gz BULLKCQAOPGSRT-HTQZYQBOSA-N -1 3 229.305 0.877 20 0 BCADHM COCCCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948889 343294776 /nfs/dbraw/zinc/29/47/76/343294776.db2.gz NISIGCWGJDWKDE-UHFFFAOYSA-N -1 3 233.293 0.115 20 0 BCADHM CC(C)(CO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000035607819 343300486 /nfs/dbraw/zinc/30/04/86/343300486.db2.gz ILQLUZREFRGORU-UHFFFAOYSA-N -1 3 234.259 0.459 20 0 BCADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](C)O)c1 ZINC000035611352 343300556 /nfs/dbraw/zinc/30/05/56/343300556.db2.gz FAVIPCIXMQGIIV-MRVPVSSYSA-N -1 3 247.291 0.793 20 0 BCADHM O=C(c1ccccc1[O-])N(CCO)C1CC1 ZINC000036130133 343310273 /nfs/dbraw/zinc/31/02/73/343310273.db2.gz ALYDKWUIMKOHFA-UHFFFAOYSA-N -1 3 221.256 0.989 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)CC(C)C ZINC000070712720 343340156 /nfs/dbraw/zinc/34/01/56/343340156.db2.gz UICZFUQKWGNGAM-SSDOTTSWSA-N -1 3 223.294 0.123 20 0 BCADHM N[C@H](CC1CCCCC1)C(=O)NCCC(=O)[O-] ZINC000310184847 343377718 /nfs/dbraw/zinc/37/77/18/343377718.db2.gz VFGRGTVGTOMURF-SNVBAGLBSA-N -1 3 242.319 0.875 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C2CCC2)c1 ZINC000335642718 136309108 /nfs/dbraw/zinc/30/91/08/136309108.db2.gz NQAOGYCODKRSDO-UHFFFAOYSA-N -1 3 229.305 0.734 20 0 BCADHM C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC000335672133 136313647 /nfs/dbraw/zinc/31/36/47/136313647.db2.gz LOLZEGBPPPQGIS-DTWKUNHWSA-N -1 3 224.308 0.586 20 0 BCADHM Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)c([O-])c1 ZINC000040413297 343402036 /nfs/dbraw/zinc/40/20/36/343402036.db2.gz QAFCUOTWYKPPFO-SECBINFHSA-N -1 3 234.255 0.918 20 0 BCADHM COC(=O)CCNC(=O)c1cc(C)ccc1[O-] ZINC000040418375 343402451 /nfs/dbraw/zinc/40/24/51/343402451.db2.gz QHKFGJYYROKGTH-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM COC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000040418373 343402595 /nfs/dbraw/zinc/40/25/95/343402595.db2.gz JDJDZKWTYPOANA-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM O=C(N[C@H]1CCNC(=O)CC1)c1cccc([O-])c1 ZINC000396738828 349807709 /nfs/dbraw/zinc/80/77/09/349807709.db2.gz ADOYTFRBGJZEGU-SNVBAGLBSA-N -1 3 248.282 0.791 20 0 BCADHM C[C@H]1CSCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335694096 136326239 /nfs/dbraw/zinc/32/62/39/136326239.db2.gz ITMSUTRHFOASAO-MRVPVSSYSA-N -1 3 242.348 0.293 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]Cc2ccc[nH]2)c1 ZINC000335834290 136353111 /nfs/dbraw/zinc/35/31/11/136353111.db2.gz FOARKQJPZPGLIJ-UHFFFAOYSA-N -1 3 240.288 0.227 20 0 BCADHM CNCc1cn([C@H](C)c2nc(C)cc(=O)[n-]2)nn1 ZINC000641146609 362239986 /nfs/dbraw/zinc/23/99/86/362239986.db2.gz QIMQGRZNRKIXRW-MRVPVSSYSA-N -1 3 248.290 0.411 20 0 BCADHM Cn1c(=O)[n-]nc1SC[C@H]1CCCO1 ZINC000335899936 136359909 /nfs/dbraw/zinc/35/99/09/136359909.db2.gz DTBUVHCHMLJYJJ-ZCFIWIBFSA-N -1 3 215.278 0.792 20 0 BCADHM C[C@H]1CCC[C@@H]1CNC(=O)c1c[n-]nn1 ZINC000230709670 343520192 /nfs/dbraw/zinc/52/01/92/343520192.db2.gz ODBFHBDMKSLHEH-JGVFFNPUSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@H]1CCC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC000230709670 343520194 /nfs/dbraw/zinc/52/01/94/343520194.db2.gz ODBFHBDMKSLHEH-JGVFFNPUSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@H]1CCC[C@@H]1CNC(=O)c1cn[n-]n1 ZINC000230709670 343520195 /nfs/dbraw/zinc/52/01/95/343520195.db2.gz ODBFHBDMKSLHEH-JGVFFNPUSA-N -1 3 208.265 0.971 20 0 BCADHM O=C(CCn1cncn1)[N-]OCc1ccccc1 ZINC000048411873 343580636 /nfs/dbraw/zinc/58/06/36/343580636.db2.gz NZOWBXRMADGAQZ-UHFFFAOYSA-N -1 3 246.270 0.916 20 0 BCADHM Cc1nc(CN2C3CCC2(C(=O)[O-])CC3)n[nH]1 ZINC000634696016 343629615 /nfs/dbraw/zinc/62/96/15/343629615.db2.gz GABLNEFORFFBTN-UHFFFAOYSA-N -1 3 236.275 0.695 20 0 BCADHM O=C(N[C@@H]1CCOC1)c1cccc([O-])c1 ZINC000087787295 343661060 /nfs/dbraw/zinc/66/10/60/343661060.db2.gz YYRGTTVNTAVGKT-SECBINFHSA-N -1 3 207.229 0.911 20 0 BCADHM COC(=O)[C@@H](NC(=O)c1c[n-]nn1)C(C)(C)C ZINC000135072862 343714607 /nfs/dbraw/zinc/71/46/07/343714607.db2.gz BFXLRDXEJBSCBS-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM COC(=O)[C@@H](NC(=O)c1cnn[n-]1)C(C)(C)C ZINC000135072862 343714611 /nfs/dbraw/zinc/71/46/11/343714611.db2.gz BFXLRDXEJBSCBS-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM COC(=O)[C@@H](NC(=O)c1cn[n-]n1)C(C)(C)C ZINC000135072862 343714612 /nfs/dbraw/zinc/71/46/12/343714612.db2.gz BFXLRDXEJBSCBS-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM O=C(NCCc1ccco1)c1c[n-]nn1 ZINC000088330099 343723072 /nfs/dbraw/zinc/72/30/72/343723072.db2.gz KXLRCFMHABMHNG-UHFFFAOYSA-N -1 3 206.205 0.370 20 0 BCADHM O=C(NCCc1ccco1)c1cnn[n-]1 ZINC000088330099 343723073 /nfs/dbraw/zinc/72/30/73/343723073.db2.gz KXLRCFMHABMHNG-UHFFFAOYSA-N -1 3 206.205 0.370 20 0 BCADHM O=C(NCCc1ccco1)c1cn[n-]n1 ZINC000088330099 343723074 /nfs/dbraw/zinc/72/30/74/343723074.db2.gz KXLRCFMHABMHNG-UHFFFAOYSA-N -1 3 206.205 0.370 20 0 BCADHM CCCCO[C@H](C)C(=O)Nc1nnc(OC)[n-]1 ZINC000179377642 346983015 /nfs/dbraw/zinc/98/30/15/346983015.db2.gz ZBTGXHZGAZJPPB-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCCCO[C@H](C)C(=O)Nc1n[n-]c(OC)n1 ZINC000179377642 346983017 /nfs/dbraw/zinc/98/30/17/346983017.db2.gz ZBTGXHZGAZJPPB-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCCCO[C@H](C)C(=O)Nc1nc(OC)n[n-]1 ZINC000179377642 346983020 /nfs/dbraw/zinc/98/30/20/346983020.db2.gz ZBTGXHZGAZJPPB-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCCCCS(=O)(=O)[N-][C@H]1COCCC1=O ZINC000625492764 343885533 /nfs/dbraw/zinc/88/55/33/343885533.db2.gz NEFOZHUTLJGTIT-VIFPVBQESA-N -1 3 249.332 0.454 20 0 BCADHM Nc1nccnc1C(=O)[N-]c1cnoc1 ZINC000393619350 343904753 /nfs/dbraw/zinc/90/47/53/343904753.db2.gz NDJHPQVPKSIMRV-UHFFFAOYSA-N -1 3 205.177 0.299 20 0 BCADHM C[C@@H](CNC(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000624593923 344043649 /nfs/dbraw/zinc/04/36/49/344043649.db2.gz ICYSWTBXAPFFGE-ZETCQYMHSA-N -1 3 221.260 0.958 20 0 BCADHM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cc(=O)[n-]cn1 ZINC000628111273 343964792 /nfs/dbraw/zinc/96/47/92/343964792.db2.gz NVGSDBVYNAKYRQ-RKDXNWHRSA-N -1 3 249.270 0.216 20 0 BCADHM CCO[C@@H](C)C(=O)NN=c1cccn[n-]1 ZINC000077031910 344053318 /nfs/dbraw/zinc/05/33/18/344053318.db2.gz SBUONXCYOKUXSI-ZETCQYMHSA-N -1 3 210.237 0.345 20 0 BCADHM CC(C)(O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000087030838 187286294 /nfs/dbraw/zinc/28/62/94/187286294.db2.gz INUGFVWAXCQUQR-UHFFFAOYSA-N -1 3 234.259 0.459 20 0 BCADHM Cn1[n-]c(CN(C2CC2)C2CC2)nc1=O ZINC000625842844 344094489 /nfs/dbraw/zinc/09/44/89/344094489.db2.gz MMYAFMKKQBAKBK-UHFFFAOYSA-N -1 3 208.265 0.235 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)CCC1(C)CC1 ZINC000570729644 323068626 /nfs/dbraw/zinc/06/86/26/323068626.db2.gz LYOJDYOFXQSOBM-MRVPVSSYSA-N -1 3 249.332 0.658 20 0 BCADHM CCc1cccc(C(=O)NCC(N)=O)c1[O-] ZINC000081729761 344147617 /nfs/dbraw/zinc/14/76/17/344147617.db2.gz HZAMRZPQWSQTKI-UHFFFAOYSA-N -1 3 222.244 0.170 20 0 BCADHM CC(C)c1noc(C(C)(C)[N-]S(C)(=O)=O)n1 ZINC000130642722 344152588 /nfs/dbraw/zinc/15/25/88/344152588.db2.gz YJKUHELETRUKPK-UHFFFAOYSA-N -1 3 247.320 0.977 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@H]2C[C@@H]2C1 ZINC000628130651 344160413 /nfs/dbraw/zinc/16/04/13/344160413.db2.gz GUEOLVGVBZPVHJ-HTQZYQBOSA-N -1 3 219.244 0.664 20 0 BCADHM Cc1csc(CCNC(=O)c2c[n-]nn2)n1 ZINC000088342124 344239139 /nfs/dbraw/zinc/23/91/39/344239139.db2.gz QMYRWDWXXOARPI-UHFFFAOYSA-N -1 3 237.288 0.542 20 0 BCADHM Cc1csc(CCNC(=O)c2cnn[n-]2)n1 ZINC000088342124 344239142 /nfs/dbraw/zinc/23/91/42/344239142.db2.gz QMYRWDWXXOARPI-UHFFFAOYSA-N -1 3 237.288 0.542 20 0 BCADHM Cc1csc(CCNC(=O)c2cn[n-]n2)n1 ZINC000088342124 344239144 /nfs/dbraw/zinc/23/91/44/344239144.db2.gz QMYRWDWXXOARPI-UHFFFAOYSA-N -1 3 237.288 0.542 20 0 BCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)[C@H](C)O1 ZINC000384933374 344270083 /nfs/dbraw/zinc/27/00/83/344270083.db2.gz STUKMAKEAWIBJQ-GJMOJQLCSA-N -1 3 245.304 0.254 20 0 BCADHM CSCCCN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000600675350 344353713 /nfs/dbraw/zinc/35/37/13/344353713.db2.gz MCDHIUGEJOIDGF-BDAKNGLRSA-N -1 3 233.333 0.913 20 0 BCADHM O=C(c1c([O-])cccc1O)N1C[C@@H]2COC[C@@H]2C1 ZINC000634777060 344301105 /nfs/dbraw/zinc/30/11/05/344301105.db2.gz WDNBJICYVFVXKT-DTORHVGOSA-N -1 3 249.266 0.816 20 0 BCADHM O=C(N[C@@H]1CC[C@H]1O)c1ccc(O)cc1[O-] ZINC000425041391 192071250 /nfs/dbraw/zinc/07/12/50/192071250.db2.gz AWXGNTVALRTVHF-RKDXNWHRSA-N -1 3 223.228 0.351 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000622868553 344436337 /nfs/dbraw/zinc/43/63/37/344436337.db2.gz RMNMHSCPPTXCDF-QYNIQEEDSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000622868553 344436339 /nfs/dbraw/zinc/43/63/39/344436339.db2.gz RMNMHSCPPTXCDF-QYNIQEEDSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000622868553 344436341 /nfs/dbraw/zinc/43/63/41/344436341.db2.gz RMNMHSCPPTXCDF-QYNIQEEDSA-N -1 3 249.274 0.278 20 0 BCADHM CC(C)CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104135639 344454139 /nfs/dbraw/zinc/45/41/39/344454139.db2.gz CGIZXSMHPINATH-UHFFFAOYSA-N -1 3 246.266 0.956 20 0 BCADHM O=C(Nc1ccccc1[O-])C1(O)CCOCC1 ZINC000408305993 344476871 /nfs/dbraw/zinc/47/68/71/344476871.db2.gz AOLNJYDDAYDFLM-UHFFFAOYSA-N -1 3 237.255 0.872 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)CC)[n-]1 ZINC000617870437 344541852 /nfs/dbraw/zinc/54/18/52/344541852.db2.gz QSBAJEICVZVSIG-UHFFFAOYSA-N -1 3 211.221 0.935 20 0 BCADHM CCOC(=O)c1nc(NC(=O)CC)c[n-]1 ZINC000617870437 344541855 /nfs/dbraw/zinc/54/18/55/344541855.db2.gz QSBAJEICVZVSIG-UHFFFAOYSA-N -1 3 211.221 0.935 20 0 BCADHM O=C(NCCC(F)(F)F)c1cc(=O)[n-]cn1 ZINC000625905935 344557627 /nfs/dbraw/zinc/55/76/27/344557627.db2.gz KBVLJTQNDAYYPM-UHFFFAOYSA-N -1 3 235.165 0.864 20 0 BCADHM CCc1nc(CNC(=O)c2c[n-]nn2)cs1 ZINC000107617423 347057405 /nfs/dbraw/zinc/05/74/05/347057405.db2.gz OCSMALOPKPGZQO-UHFFFAOYSA-N -1 3 237.288 0.754 20 0 BCADHM CCc1nc(CNC(=O)c2cnn[n-]2)cs1 ZINC000107617423 347057408 /nfs/dbraw/zinc/05/74/08/347057408.db2.gz OCSMALOPKPGZQO-UHFFFAOYSA-N -1 3 237.288 0.754 20 0 BCADHM CCc1nc(CNC(=O)c2cn[n-]n2)cs1 ZINC000107617423 347057411 /nfs/dbraw/zinc/05/74/11/347057411.db2.gz OCSMALOPKPGZQO-UHFFFAOYSA-N -1 3 237.288 0.754 20 0 BCADHM O=C(NCCCOC1CCCC1)c1c[n-]nn1 ZINC000143809873 344630063 /nfs/dbraw/zinc/63/00/63/344630063.db2.gz VRNVWRMSLIGJAU-UHFFFAOYSA-N -1 3 238.291 0.884 20 0 BCADHM O=C(NCCCOC1CCCC1)c1cnn[n-]1 ZINC000143809873 344630067 /nfs/dbraw/zinc/63/00/67/344630067.db2.gz VRNVWRMSLIGJAU-UHFFFAOYSA-N -1 3 238.291 0.884 20 0 BCADHM O=C(NCCCOC1CCCC1)c1cn[n-]n1 ZINC000143809873 344630071 /nfs/dbraw/zinc/63/00/71/344630071.db2.gz VRNVWRMSLIGJAU-UHFFFAOYSA-N -1 3 238.291 0.884 20 0 BCADHM CCN(C)CCNc1ncc(C(=O)[O-])cn1 ZINC000309454624 347068237 /nfs/dbraw/zinc/06/82/37/347068237.db2.gz RYVMSUXZPMUMBQ-UHFFFAOYSA-N -1 3 224.264 0.538 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC(O)C1 ZINC000626078708 344724819 /nfs/dbraw/zinc/72/48/19/344724819.db2.gz NNEIJZWVGMRTNN-UHFFFAOYSA-N -1 3 207.229 0.517 20 0 BCADHM CCC[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000050265592 344745715 /nfs/dbraw/zinc/74/57/15/344745715.db2.gz AWHGPKLRQJRFFU-UHFFFAOYSA-N -1 3 231.321 0.900 20 0 BCADHM CCOCCNC(=O)NCc1ncccc1[O-] ZINC000349426671 344690772 /nfs/dbraw/zinc/69/07/72/344690772.db2.gz WMFGBAFHXYSIAN-UHFFFAOYSA-N -1 3 239.275 0.623 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@]2(CCOC2)C1 ZINC000626065518 344709708 /nfs/dbraw/zinc/70/97/08/344709708.db2.gz FWLQQTALJSCKOG-GFCCVEGCSA-N -1 3 249.270 0.435 20 0 BCADHM CCC[C@@H](O)CSCCc1nnn[n-]1 ZINC000603339788 349916707 /nfs/dbraw/zinc/91/67/07/349916707.db2.gz FHVKBRIAQGJSPF-SSDOTTSWSA-N -1 3 216.310 0.636 20 0 BCADHM CCC[C@@H](O)CSCCc1nn[n-]n1 ZINC000603339788 349916710 /nfs/dbraw/zinc/91/67/10/349916710.db2.gz FHVKBRIAQGJSPF-SSDOTTSWSA-N -1 3 216.310 0.636 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C1CC1 ZINC000075940600 344789002 /nfs/dbraw/zinc/78/90/02/344789002.db2.gz NVFRGCHQEVERBG-ZETCQYMHSA-N -1 3 229.305 0.497 20 0 BCADHM COC1CC(SCCc2nnn[n-]2)C1 ZINC000603340563 349917631 /nfs/dbraw/zinc/91/76/31/349917631.db2.gz JPWGYGNMBJWXOT-UHFFFAOYSA-N -1 3 214.294 0.653 20 0 BCADHM COC1CC(SCCc2nn[n-]n2)C1 ZINC000603340563 349917633 /nfs/dbraw/zinc/91/76/33/349917633.db2.gz JPWGYGNMBJWXOT-UHFFFAOYSA-N -1 3 214.294 0.653 20 0 BCADHM NC(=O)CCCCSCCc1nnn[n-]1 ZINC000603339974 349917681 /nfs/dbraw/zinc/91/76/81/349917681.db2.gz QEVXNJSYCIIEEK-UHFFFAOYSA-N -1 3 229.309 0.131 20 0 BCADHM NC(=O)CCCCSCCc1nn[n-]n1 ZINC000603339974 349917682 /nfs/dbraw/zinc/91/76/82/349917682.db2.gz QEVXNJSYCIIEEK-UHFFFAOYSA-N -1 3 229.309 0.131 20 0 BCADHM CCN1CC[C@H](SCCc2nnn[n-]2)C1=O ZINC000603340930 349917824 /nfs/dbraw/zinc/91/78/24/349917824.db2.gz CCVGNVHVKFTPSC-ZETCQYMHSA-N -1 3 241.320 0.096 20 0 BCADHM CCN1CC[C@H](SCCc2nn[n-]n2)C1=O ZINC000603340930 349917827 /nfs/dbraw/zinc/91/78/27/349917827.db2.gz CCVGNVHVKFTPSC-ZETCQYMHSA-N -1 3 241.320 0.096 20 0 BCADHM O=C1NCC[C@@H]1CCSCCc1nnn[n-]1 ZINC000603342015 349919728 /nfs/dbraw/zinc/91/97/28/349919728.db2.gz VJFHXQFAAPKKTO-SSDOTTSWSA-N -1 3 241.320 0.002 20 0 BCADHM O=C1NCC[C@@H]1CCSCCc1nn[n-]n1 ZINC000603342015 349919730 /nfs/dbraw/zinc/91/97/30/349919730.db2.gz VJFHXQFAAPKKTO-SSDOTTSWSA-N -1 3 241.320 0.002 20 0 BCADHM COc1cc(CSCCc2nnn[n-]2)on1 ZINC000603342151 349919758 /nfs/dbraw/zinc/91/97/58/349919758.db2.gz WMYYVJQSDPLJKV-UHFFFAOYSA-N -1 3 241.276 0.672 20 0 BCADHM COc1cc(CSCCc2nn[n-]n2)on1 ZINC000603342151 349919763 /nfs/dbraw/zinc/91/97/63/349919763.db2.gz WMYYVJQSDPLJKV-UHFFFAOYSA-N -1 3 241.276 0.672 20 0 BCADHM CCC1(O)CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000089649058 168502873 /nfs/dbraw/zinc/50/28/73/168502873.db2.gz ZNOYAOIJYLMCCI-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM CC1CC(CNC(=O)c2cc(=O)[n-]cn2)C1 ZINC000628194721 344950418 /nfs/dbraw/zinc/95/04/18/344950418.db2.gz TWNXPVUENTYMDZ-UHFFFAOYSA-N -1 3 221.260 0.958 20 0 BCADHM COc1cccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1[O-] ZINC000641566158 362505211 /nfs/dbraw/zinc/50/52/11/362505211.db2.gz AKDOHMCBOZQSQM-SDBXPKJASA-N -1 3 249.266 0.608 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1C[C@@H]2C[C@]2(O)C1 ZINC000641568787 362507010 /nfs/dbraw/zinc/50/70/10/362507010.db2.gz JESQEWQAEBCWCD-UFBFGSQYSA-N -1 3 244.254 0.165 20 0 BCADHM COc1ccc([O-])c(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1 ZINC000641570616 362508098 /nfs/dbraw/zinc/50/80/98/362508098.db2.gz JQPRZWFYBUQLRE-SDBXPKJASA-N -1 3 249.266 0.608 20 0 BCADHM O=C([O-])[C@H](C1CC1)N1CCO[C@H](CCF)C1 ZINC000635018833 345222147 /nfs/dbraw/zinc/22/21/47/345222147.db2.gz QSLGNVDUPIOHIO-ZJUUUORDSA-N -1 3 231.267 0.910 20 0 BCADHM COC[C@@H](C)SCCc1nnn[n-]1 ZINC000603337251 349928534 /nfs/dbraw/zinc/92/85/34/349928534.db2.gz DKWRHBQNFAKETR-ZCFIWIBFSA-N -1 3 202.283 0.510 20 0 BCADHM COC[C@@H](C)SCCc1nn[n-]n1 ZINC000603337251 349928536 /nfs/dbraw/zinc/92/85/36/349928536.db2.gz DKWRHBQNFAKETR-ZCFIWIBFSA-N -1 3 202.283 0.510 20 0 BCADHM CC[C@@H](CSCCc1nnn[n-]1)OC ZINC000603339516 349929752 /nfs/dbraw/zinc/92/97/52/349929752.db2.gz DPJDJPDKVXIFEQ-ZETCQYMHSA-N -1 3 216.310 0.900 20 0 BCADHM CC[C@@H](CSCCc1nn[n-]n1)OC ZINC000603339516 349929759 /nfs/dbraw/zinc/92/97/59/349929759.db2.gz DPJDJPDKVXIFEQ-ZETCQYMHSA-N -1 3 216.310 0.900 20 0 BCADHM CO[C@H](CSCCc1nnn[n-]1)C1CC1 ZINC000603339172 349928692 /nfs/dbraw/zinc/92/86/92/349928692.db2.gz BXYDLKSPFQTYOD-MRVPVSSYSA-N -1 3 228.321 0.900 20 0 BCADHM CO[C@H](CSCCc1nn[n-]n1)C1CC1 ZINC000603339172 349928697 /nfs/dbraw/zinc/92/86/97/349928697.db2.gz BXYDLKSPFQTYOD-MRVPVSSYSA-N -1 3 228.321 0.900 20 0 BCADHM CCCNC(=O)[C@H](C)SCCc1nnn[n-]1 ZINC000603338818 349928904 /nfs/dbraw/zinc/92/89/04/349928904.db2.gz NDXHLZPVHYZUDA-ZETCQYMHSA-N -1 3 243.336 0.390 20 0 BCADHM CCCNC(=O)[C@H](C)SCCc1nn[n-]n1 ZINC000603338818 349928909 /nfs/dbraw/zinc/92/89/09/349928909.db2.gz NDXHLZPVHYZUDA-ZETCQYMHSA-N -1 3 243.336 0.390 20 0 BCADHM Cn1ccc(CSCCc2nnn[n-]2)n1 ZINC000603339161 349929029 /nfs/dbraw/zinc/92/90/29/349929029.db2.gz NNPGRLCCVYJOIB-UHFFFAOYSA-N -1 3 224.293 0.409 20 0 BCADHM Cn1ccc(CSCCc2nn[n-]n2)n1 ZINC000603339161 349929033 /nfs/dbraw/zinc/92/90/33/349929033.db2.gz NNPGRLCCVYJOIB-UHFFFAOYSA-N -1 3 224.293 0.409 20 0 BCADHM CCc1cccc(C(=O)N2CCNC(=O)C2)c1[O-] ZINC000081710289 345485631 /nfs/dbraw/zinc/48/56/31/345485631.db2.gz SKNHJULSRAHXGI-UHFFFAOYSA-N -1 3 248.282 0.527 20 0 BCADHM Cc1cc(C(=O)NCCc2ccc[nH]2)[n-]c(=O)n1 ZINC000089345509 345553404 /nfs/dbraw/zinc/55/34/04/345553404.db2.gz UARAUGHWRXBOPR-UHFFFAOYSA-N -1 3 246.270 0.379 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)CCC2CC2)CC1 ZINC000092333941 345630789 /nfs/dbraw/zinc/63/07/89/345630789.db2.gz BBVDVUOEZPFHCU-UHFFFAOYSA-N -1 3 247.316 0.412 20 0 BCADHM COCC[C@H](C)S(=O)(=O)[N-][C@H](C)C(F)F ZINC000641702068 362615764 /nfs/dbraw/zinc/61/57/64/362615764.db2.gz MHNCCNBYZFFCND-NKWVEPMBSA-N -1 3 245.291 0.984 20 0 BCADHM Cc1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)n[nH]1 ZINC000095210259 345683069 /nfs/dbraw/zinc/68/30/69/345683069.db2.gz URTKATJLBCGALT-ZCFIWIBFSA-N -1 3 249.278 0.107 20 0 BCADHM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)[nH]n1 ZINC000095210259 345683071 /nfs/dbraw/zinc/68/30/71/345683071.db2.gz URTKATJLBCGALT-ZCFIWIBFSA-N -1 3 249.278 0.107 20 0 BCADHM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)n[nH]1 ZINC000095210259 345683072 /nfs/dbraw/zinc/68/30/72/345683072.db2.gz URTKATJLBCGALT-ZCFIWIBFSA-N -1 3 249.278 0.107 20 0 BCADHM CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000095193471 345683392 /nfs/dbraw/zinc/68/33/92/345683392.db2.gz NYBOEMPGRUKYFL-UHFFFAOYSA-N -1 3 245.290 0.014 20 0 BCADHM CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000095193471 345683395 /nfs/dbraw/zinc/68/33/95/345683395.db2.gz NYBOEMPGRUKYFL-UHFFFAOYSA-N -1 3 245.290 0.014 20 0 BCADHM Cc1ccnc2[nH]c(Cc3nnn[n-]3)nc21 ZINC000095214393 345684414 /nfs/dbraw/zinc/68/44/14/345684414.db2.gz SFNZGVWLLVSTKY-UHFFFAOYSA-N -1 3 215.220 0.370 20 0 BCADHM C[C@H]1OCCN(C(=O)c2cc(=O)[n-]cn2)[C@H]1C ZINC000626151842 345778998 /nfs/dbraw/zinc/77/89/98/345778998.db2.gz WPUXLZMVBAQUAB-JGVFFNPUSA-N -1 3 237.259 0.432 20 0 BCADHM CN(CC(=O)Nc1nnn[n-]1)CC(C)(C)C ZINC000635576231 345848959 /nfs/dbraw/zinc/84/89/59/345848959.db2.gz MRSHBBPHQYWYIT-UHFFFAOYSA-N -1 3 226.284 0.116 20 0 BCADHM CN(CC(=O)Nc1nn[n-]n1)CC(C)(C)C ZINC000635576231 345848962 /nfs/dbraw/zinc/84/89/62/345848962.db2.gz MRSHBBPHQYWYIT-UHFFFAOYSA-N -1 3 226.284 0.116 20 0 BCADHM CC1(CN2CCOC[C@H]2C(=O)[O-])CCC1 ZINC000307670952 345893268 /nfs/dbraw/zinc/89/32/68/345893268.db2.gz VWRDVKSGOUEGCZ-VIFPVBQESA-N -1 3 213.277 0.962 20 0 BCADHM Cc1cc(NCc2cnc(C)[n-]c2=O)nc(C)n1 ZINC000436437318 537916322 /nfs/dbraw/zinc/91/63/22/537916322.db2.gz FITWFJSBIKOMQF-UHFFFAOYSA-N -1 3 245.286 0.931 20 0 BCADHM O=C(Nc1nn[n-]n1)[C@H]1CCN1C1CCCC1 ZINC000635578264 345870423 /nfs/dbraw/zinc/87/04/23/345870423.db2.gz WMHDZGIXXDWABA-MRVPVSSYSA-N -1 3 236.279 0.155 20 0 BCADHM Cc1nc(=NC(=O)C2(CN(C)C)CC2)s[n-]1 ZINC000635623148 345897684 /nfs/dbraw/zinc/89/76/84/345897684.db2.gz ZBYLTGFCXJFPIM-UHFFFAOYSA-N -1 3 240.332 0.549 20 0 BCADHM CC(C)CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673546159 488295345 /nfs/dbraw/zinc/29/53/45/488295345.db2.gz PLWJDTCCWICMDW-UHFFFAOYSA-N -1 3 225.292 0.805 20 0 BCADHM Cc1nccc(C[N-]C(=O)C(F)F)n1 ZINC000235840318 345944886 /nfs/dbraw/zinc/94/48/86/345944886.db2.gz CMGQLUMVGHMULO-UHFFFAOYSA-N -1 3 201.176 0.666 20 0 BCADHM C[C@H](C(=O)Nc1ncccc1[O-])N(C)C ZINC000635790390 346070632 /nfs/dbraw/zinc/07/06/32/346070632.db2.gz GCDJBLZCYRGWJY-SSDOTTSWSA-N -1 3 209.249 0.676 20 0 BCADHM CN1CC[C@](C)(C(=O)Nc2ncccc2[O-])C1=O ZINC000635791387 346063429 /nfs/dbraw/zinc/06/34/29/346063429.db2.gz PVJZCXZPIYENKG-GFCCVEGCSA-N -1 3 249.270 0.594 20 0 BCADHM C[C@@]1(C(=O)Nc2ncccc2[O-])CCNC1=O ZINC000635791843 346063675 /nfs/dbraw/zinc/06/36/75/346063675.db2.gz YRVYHUMQGLJBFD-LLVKDONJSA-N -1 3 235.243 0.252 20 0 BCADHM CCN1CCCN(C(=O)c2cc(=O)[nH][n-]2)CC1 ZINC000668475608 537948338 /nfs/dbraw/zinc/94/83/38/537948338.db2.gz PAVWHKGUXYOOHB-UHFFFAOYSA-N -1 3 238.291 0.283 20 0 BCADHM CC[C@@H]1COCCN1CC1(C(=O)[O-])CC1 ZINC000563279396 323107924 /nfs/dbraw/zinc/10/79/24/323107924.db2.gz UEJSXDDDLTVVHI-SECBINFHSA-N -1 3 213.277 0.962 20 0 BCADHM Cc1cccc(C(=O)N2CC(CC(N)=O)C2)c1[O-] ZINC000280450722 179007159 /nfs/dbraw/zinc/00/71/59/179007159.db2.gz HYPNDXYKKHUOOA-UHFFFAOYSA-N -1 3 248.282 0.648 20 0 BCADHM Cc1cccc(C(=O)N[C@H]2CCN(C)C2=O)c1[O-] ZINC000152529792 179024275 /nfs/dbraw/zinc/02/42/75/179024275.db2.gz HOBKJMNRYZKQTC-JTQLQIEISA-N -1 3 248.282 0.661 20 0 BCADHM Cc1cccc(C(=O)NCCc2nnc[nH]2)c1[O-] ZINC000080582046 179017728 /nfs/dbraw/zinc/01/77/28/179017728.db2.gz HLQAHWNWFGAEGK-UHFFFAOYSA-N -1 3 246.270 0.791 20 0 BCADHM Cc1cccc(C(=O)NCc2cnnn2C)c1[O-] ZINC000288593958 179019045 /nfs/dbraw/zinc/01/90/45/179019045.db2.gz LUKXOSLHOFQNML-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM Cc1n[nH]cc1CN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000636071135 346312014 /nfs/dbraw/zinc/31/20/14/346312014.db2.gz NKFBQIRGXKWSIZ-UHFFFAOYSA-N -1 3 247.258 0.486 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1C[C@H]1C)C2 ZINC000636281825 346377514 /nfs/dbraw/zinc/37/75/14/346377514.db2.gz FUHUMECQRBLIHB-HTRCEHHLSA-N -1 3 233.271 0.989 20 0 BCADHM COCCC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636285379 346378830 /nfs/dbraw/zinc/37/88/30/346378830.db2.gz SLAHPGDTGCDRTA-UHFFFAOYSA-N -1 3 237.259 0.369 20 0 BCADHM O=C(N[C@H]1CCCn2nccc21)c1c[n-]nn1 ZINC000636379889 346430207 /nfs/dbraw/zinc/43/02/07/346430207.db2.gz NIEWZQAJSCEYPZ-ZETCQYMHSA-N -1 3 232.247 0.266 20 0 BCADHM O=C(N[C@H]1CCCn2nccc21)c1cnn[n-]1 ZINC000636379889 346430208 /nfs/dbraw/zinc/43/02/08/346430208.db2.gz NIEWZQAJSCEYPZ-ZETCQYMHSA-N -1 3 232.247 0.266 20 0 BCADHM O=C(N[C@H]1CCCn2nccc21)c1cn[n-]n1 ZINC000636379889 346430210 /nfs/dbraw/zinc/43/02/10/346430210.db2.gz NIEWZQAJSCEYPZ-ZETCQYMHSA-N -1 3 232.247 0.266 20 0 BCADHM CO[C@@H]1C[C@@H](C(=O)[O-])N(C[C@H](O)C(C)(C)C)C1 ZINC000574922168 346416389 /nfs/dbraw/zinc/41/63/89/346416389.db2.gz GXMVAKNZXAGFMK-UTLUCORTSA-N -1 3 245.319 0.567 20 0 BCADHM CC(C)N(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCOC1 ZINC000580609631 365810742 /nfs/dbraw/zinc/81/07/42/365810742.db2.gz QIUYGMCCPFNCKH-SECBINFHSA-N -1 3 240.307 0.108 20 0 BCADHM C[C@H]1CCC(C)(C)N1CC(=O)NCC(=O)[O-] ZINC000641793563 362736195 /nfs/dbraw/zinc/73/61/95/362736195.db2.gz LHOKJUAIANYANA-QMMMGPOBSA-N -1 3 228.292 0.450 20 0 BCADHM CN(C(=O)Cc1cncc([O-])c1)[C@@H]1CCOC1 ZINC000580093207 346520422 /nfs/dbraw/zinc/52/04/22/346520422.db2.gz BZROOFFPZPOBMS-SNVBAGLBSA-N -1 3 236.271 0.577 20 0 BCADHM c1cc(-c2nnn[n-]2)cc(N2CCCC2)n1 ZINC000103614264 346580623 /nfs/dbraw/zinc/58/06/23/346580623.db2.gz HVFYMEMFLRNDCK-UHFFFAOYSA-N -1 3 216.248 0.862 20 0 BCADHM c1cc(-c2nn[n-]n2)cc(N2CCCC2)n1 ZINC000103614264 346580628 /nfs/dbraw/zinc/58/06/28/346580628.db2.gz HVFYMEMFLRNDCK-UHFFFAOYSA-N -1 3 216.248 0.862 20 0 BCADHM C[C@H](C[S@@](C)=O)N(C)Cc1ncccc1[O-] ZINC000589174682 346673477 /nfs/dbraw/zinc/67/34/77/346673477.db2.gz NTKHMEGADUJDAO-JDNHERCYSA-N -1 3 242.344 0.986 20 0 BCADHM C[C@@H]1CN(CCOCC(=O)[O-])C[C@@H](C)S1 ZINC000580653977 365846038 /nfs/dbraw/zinc/84/60/38/365846038.db2.gz YLLMAKTUHDNZGT-RKDXNWHRSA-N -1 3 233.333 0.913 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC000387835264 347106308 /nfs/dbraw/zinc/10/63/08/347106308.db2.gz ARUFEPFQDKMWDW-KCJUWKMLSA-N -1 3 221.256 0.845 20 0 BCADHM C[C@@H]1CN(C(=O)c2c([O-])cccc2O)C[C@H]1O ZINC000387855197 347111642 /nfs/dbraw/zinc/11/16/42/347111642.db2.gz KBQSOLMJISFNLW-GMSGAONNSA-N -1 3 237.255 0.551 20 0 BCADHM CC[C@@H]1CCCCN1CCNC(=O)C(=O)[O-] ZINC000309602268 347120185 /nfs/dbraw/zinc/12/01/85/347120185.db2.gz KHYAGZHQBSQCCE-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CC12CC2 ZINC000571298174 323140701 /nfs/dbraw/zinc/14/07/01/323140701.db2.gz SRBZPICZAFRBIX-SNVBAGLBSA-N -1 3 218.256 0.998 20 0 BCADHM Cc1cnc(C[N-]S(=O)(=O)C2COC2)s1 ZINC000582098467 347226267 /nfs/dbraw/zinc/22/62/67/347226267.db2.gz RXWLXZYJBRUEQW-UHFFFAOYSA-N -1 3 248.329 0.270 20 0 BCADHM CC[C@@H](O)CNC(=O)c1ccc([O-])c(OC)c1 ZINC000618403364 347287886 /nfs/dbraw/zinc/28/78/86/347287886.db2.gz KRMVPVVJJHJITI-SECBINFHSA-N -1 3 239.271 0.902 20 0 BCADHM Cc1cccc2c1CN(Cc1nc(=O)[n-][nH]1)CC2 ZINC000277109946 179216092 /nfs/dbraw/zinc/21/60/92/179216092.db2.gz HANAJZRDQIJMAO-UHFFFAOYSA-N -1 3 244.298 0.965 20 0 BCADHM CC(C)[C@@H]1CN(C(=O)c2cc(=O)[nH][n-]2)CCN1 ZINC000621151720 347406619 /nfs/dbraw/zinc/40/66/19/347406619.db2.gz GZUSROPZRMRLKU-VIFPVBQESA-N -1 3 238.291 0.185 20 0 BCADHM Cc1ccc(CCNC(=O)c2c[n-]nn2)o1 ZINC000617015933 347583375 /nfs/dbraw/zinc/58/33/75/347583375.db2.gz STAPKUGLLXPLRA-UHFFFAOYSA-N -1 3 220.232 0.679 20 0 BCADHM Cc1ccc(CCNC(=O)c2cnn[n-]2)o1 ZINC000617015933 347583379 /nfs/dbraw/zinc/58/33/79/347583379.db2.gz STAPKUGLLXPLRA-UHFFFAOYSA-N -1 3 220.232 0.679 20 0 BCADHM Cc1ccc(CCNC(=O)c2cn[n-]n2)o1 ZINC000617015933 347583381 /nfs/dbraw/zinc/58/33/81/347583381.db2.gz STAPKUGLLXPLRA-UHFFFAOYSA-N -1 3 220.232 0.679 20 0 BCADHM Cc1cccc(C(=O)N[C@H]2CCNC2=O)c1[O-] ZINC000616968156 347548148 /nfs/dbraw/zinc/54/81/48/347548148.db2.gz RPPCWMXFYZYCPA-VIFPVBQESA-N -1 3 234.255 0.319 20 0 BCADHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(C)(=O)=O ZINC000592075684 347728877 /nfs/dbraw/zinc/72/88/77/347728877.db2.gz PEOFEEFEYQJQGD-SSDOTTSWSA-N -1 3 237.321 0.513 20 0 BCADHM C[C@H]1OCC[C@]1(C)N=c1ncnc2[nH][n-]cc1-2 ZINC000343567237 133696556 /nfs/dbraw/zinc/69/65/56/133696556.db2.gz YKWXGAWSBVTCHB-HQJQHLMTSA-N -1 3 233.275 0.706 20 0 BCADHM COC(=O)[C@@H]([N-]S(C)(=O)=O)C1CCCCC1 ZINC000532044314 323169321 /nfs/dbraw/zinc/16/93/21/323169321.db2.gz YZGSPSTUMWSYLA-VIFPVBQESA-N -1 3 249.332 0.658 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1CC1(F)F ZINC000594020139 347991209 /nfs/dbraw/zinc/99/12/09/347991209.db2.gz YSZILGRBKQFQCA-SCSAIBSYSA-N -1 3 245.185 0.790 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1CC1(F)F ZINC000594020139 347991210 /nfs/dbraw/zinc/99/12/10/347991210.db2.gz YSZILGRBKQFQCA-SCSAIBSYSA-N -1 3 245.185 0.790 20 0 BCADHM CCS(=O)(=O)[N-][C@](C)(CCF)C(=O)OC ZINC000594863453 348116199 /nfs/dbraw/zinc/11/61/99/348116199.db2.gz DQCVLPHUMAIRIS-MRVPVSSYSA-N -1 3 241.284 0.217 20 0 BCADHM COC[C@H](O)CNc1ccncc1C(=O)[O-] ZINC000088109932 362903808 /nfs/dbraw/zinc/90/38/08/362903808.db2.gz RGCVNQGOFZGELB-SSDOTTSWSA-N -1 3 226.232 0.199 20 0 BCADHM CNC(=O)CNC(=O)c1c(C)cccc1[O-] ZINC000623494624 362919016 /nfs/dbraw/zinc/91/90/16/362919016.db2.gz XRIDQSPOZCMWEH-UHFFFAOYSA-N -1 3 222.244 0.176 20 0 BCADHM Cc1cc(CNC(=O)c2cncc([O-])c2)[nH]n1 ZINC000603551992 349991253 /nfs/dbraw/zinc/99/12/53/349991253.db2.gz ZWIZHANEMAUIOK-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM Cc1cc(CNC(=O)c2cncc([O-])c2)n[nH]1 ZINC000603551992 349991254 /nfs/dbraw/zinc/99/12/54/349991254.db2.gz ZWIZHANEMAUIOK-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM CC(=O)C[C@@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626233855 348714846 /nfs/dbraw/zinc/71/48/46/348714846.db2.gz HEPGZVJIKJOKNW-ZCFIWIBFSA-N -1 3 223.232 0.280 20 0 BCADHM C[C@H](C(=O)[O-])N(C(=O)[C@H](C)NC1CC1)C1CC1 ZINC000383579041 349062707 /nfs/dbraw/zinc/06/27/07/349062707.db2.gz VQNAGGGMQJLUDO-JGVFFNPUSA-N -1 3 240.303 0.591 20 0 BCADHM COC(=O)CCCCN(C)Cc1n[n-]c(=O)o1 ZINC000599440570 349178899 /nfs/dbraw/zinc/17/88/99/349178899.db2.gz WCNRXQJGJXJDMO-UHFFFAOYSA-N -1 3 243.263 0.550 20 0 BCADHM CN(Cc1nccn1C)C(=O)c1cc(=O)[n-]cn1 ZINC000623518368 362941143 /nfs/dbraw/zinc/94/11/43/362941143.db2.gz QBUQVBMCJNZPFU-UHFFFAOYSA-N -1 3 247.258 0.188 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCC(=O)NC1CC1 ZINC000623521773 362942853 /nfs/dbraw/zinc/94/28/53/362942853.db2.gz HCPIYGSUZQQIEH-UHFFFAOYSA-N -1 3 248.282 0.709 20 0 BCADHM CCO[N-]C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160591608 349262651 /nfs/dbraw/zinc/26/26/51/349262651.db2.gz ZELCKCWGQRGCPO-VDDIYKPWSA-N -1 3 242.319 0.587 20 0 BCADHM CCOC(=O)Cn1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000601953654 349398460 /nfs/dbraw/zinc/39/84/60/349398460.db2.gz MRKJZMKRNCPVPI-XVKPBYJWSA-N -1 3 224.260 0.794 20 0 BCADHM CC1(C)C[C@@H](NC(=O)c2c[n-]nn2)CO1 ZINC000396660162 349413316 /nfs/dbraw/zinc/41/33/16/349413316.db2.gz ORBJIZUVWLCASK-ZCFIWIBFSA-N -1 3 210.237 0.102 20 0 BCADHM CC1(C)C[C@@H](NC(=O)c2cnn[n-]2)CO1 ZINC000396660162 349413319 /nfs/dbraw/zinc/41/33/19/349413319.db2.gz ORBJIZUVWLCASK-ZCFIWIBFSA-N -1 3 210.237 0.102 20 0 BCADHM CC1(C)C[C@@H](NC(=O)c2cn[n-]n2)CO1 ZINC000396660162 349413321 /nfs/dbraw/zinc/41/33/21/349413321.db2.gz ORBJIZUVWLCASK-ZCFIWIBFSA-N -1 3 210.237 0.102 20 0 BCADHM CN1CCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000128417927 191008477 /nfs/dbraw/zinc/00/84/77/191008477.db2.gz MDUSBDPBKBUIDM-QMMMGPOBSA-N -1 3 221.260 0.820 20 0 BCADHM Cc1ccc([O-])c(CN2CC[C@H](O)C2)n1 ZINC000128153416 191008532 /nfs/dbraw/zinc/00/85/32/191008532.db2.gz OZVUXIIBROFZCH-VIFPVBQESA-N -1 3 208.261 0.662 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C(C)(C)CF)cn1C ZINC000336611609 180029074 /nfs/dbraw/zinc/02/90/74/180029074.db2.gz AYGTWFFQRBWFFT-UHFFFAOYSA-N -1 3 249.311 0.755 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]CCCCF)cn1C ZINC000360260178 180029660 /nfs/dbraw/zinc/02/96/60/180029660.db2.gz CWZXJWLQMLKVNJ-UHFFFAOYSA-N -1 3 249.311 0.757 20 0 BCADHM C[C@H]1C[C@H]1N1CCN(C(=O)C(=O)[O-])C[C@@H](C)C1 ZINC000428170141 191047433 /nfs/dbraw/zinc/04/74/33/191047433.db2.gz KAYUROLRLATYJR-LPEHRKFASA-N -1 3 240.303 0.260 20 0 BCADHM COC1CCC(CNC(=O)c2c[n-]nn2)CC1 ZINC000427047203 191051946 /nfs/dbraw/zinc/05/19/46/191051946.db2.gz ZXGQCWOIFVVVLJ-UHFFFAOYSA-N -1 3 238.291 0.740 20 0 BCADHM COC1CCC(CNC(=O)c2cnn[n-]2)CC1 ZINC000427047203 191051949 /nfs/dbraw/zinc/05/19/49/191051949.db2.gz ZXGQCWOIFVVVLJ-UHFFFAOYSA-N -1 3 238.291 0.740 20 0 BCADHM COC1CCC(CNC(=O)c2cn[n-]n2)CC1 ZINC000427047203 191051952 /nfs/dbraw/zinc/05/19/52/191051952.db2.gz ZXGQCWOIFVVVLJ-UHFFFAOYSA-N -1 3 238.291 0.740 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccn(C)c1 ZINC000427133468 191054122 /nfs/dbraw/zinc/05/41/22/191054122.db2.gz OSFOUWMOXRYBMG-UHFFFAOYSA-N -1 3 248.242 0.787 20 0 BCADHM Cc1ncc(CNC(=O)C2(O)CCC2)c(=O)[n-]1 ZINC000358120365 180148683 /nfs/dbraw/zinc/14/86/83/180148683.db2.gz KJSDRISGMUOGCB-UHFFFAOYSA-N -1 3 237.259 0.022 20 0 BCADHM Cc1nccn1CC[N-]C(=O)C(F)(F)F ZINC000263701532 180254570 /nfs/dbraw/zinc/25/45/70/180254570.db2.gz OOMKOOGYWIXKAS-UHFFFAOYSA-N -1 3 221.182 0.870 20 0 BCADHM CCCN1CCC[C@H]1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000427728995 191089664 /nfs/dbraw/zinc/08/96/64/191089664.db2.gz TZNRLLQBJFRBLE-UWVGGRQHSA-N -1 3 242.319 0.840 20 0 BCADHM Cc1ncsc1C(=O)[N-]c1ncn(C)n1 ZINC000356463965 180307341 /nfs/dbraw/zinc/30/73/41/180307341.db2.gz ZEEKVKLRQLLPSO-UHFFFAOYSA-N -1 3 223.261 0.832 20 0 BCADHM C[C@H]1CCC[C@H](CNC(=O)c2c[n-]nn2)O1 ZINC000618573769 350602904 /nfs/dbraw/zinc/60/29/04/350602904.db2.gz FEDAXACGXFHOMI-JGVFFNPUSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@H]1CCC[C@H](CNC(=O)c2cnn[n-]2)O1 ZINC000618573769 350602907 /nfs/dbraw/zinc/60/29/07/350602907.db2.gz FEDAXACGXFHOMI-JGVFFNPUSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@H]1CCC[C@H](CNC(=O)c2cn[n-]n2)O1 ZINC000618573769 350602909 /nfs/dbraw/zinc/60/29/09/350602909.db2.gz FEDAXACGXFHOMI-JGVFFNPUSA-N -1 3 224.264 0.492 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1CC1(C)C ZINC000230741911 350607622 /nfs/dbraw/zinc/60/76/22/350607622.db2.gz WQODPWOQAPQNBZ-SECBINFHSA-N -1 3 242.319 0.507 20 0 BCADHM CCCCS(=O)(=O)[N-]CC(=O)OCC ZINC000013938848 350652767 /nfs/dbraw/zinc/65/27/67/350652767.db2.gz RDVMBNDZOXABCB-UHFFFAOYSA-N -1 3 223.294 0.269 20 0 BCADHM c1cnc2[nH]c(Cc3nnn[n-]3)nc2c1 ZINC000095106013 350655733 /nfs/dbraw/zinc/65/57/33/350655733.db2.gz LAEVEWQBSJSHQS-UHFFFAOYSA-N -1 3 201.193 0.062 20 0 BCADHM O=C1CCCC[C@@H]1Sc1n[n-]c(CO)n1 ZINC000577572695 365996668 /nfs/dbraw/zinc/99/66/68/365996668.db2.gz DHENMQPTTHPFRF-ZETCQYMHSA-N -1 3 227.289 0.901 20 0 BCADHM C[C@@]1(O)CCCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000626321671 350968723 /nfs/dbraw/zinc/96/87/23/350968723.db2.gz NXOCWPZECYJHMN-LLVKDONJSA-N -1 3 237.259 0.169 20 0 BCADHM Cc1ccc(C(=O)NC[C@@H]2CNC(=O)C2)c([O-])c1 ZINC000398333038 351037246 /nfs/dbraw/zinc/03/72/46/351037246.db2.gz IXWQHJXRMSHNNW-VIFPVBQESA-N -1 3 248.282 0.567 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC(F)(F)C1 ZINC000626398431 351125292 /nfs/dbraw/zinc/12/52/92/351125292.db2.gz XOQTWTROVQWPRB-UHFFFAOYSA-N -1 3 215.159 0.273 20 0 BCADHM CCC[C@@H](C)N1CCO[C@H](C(=O)[O-])C1 ZINC000083415312 351274163 /nfs/dbraw/zinc/27/41/63/351274163.db2.gz LUUNUBQXJFCYSO-BDAKNGLRSA-N -1 3 201.266 0.960 20 0 BCADHM CCN(C)S(=O)(=O)[N-][C@@H](C)c1nc(C)no1 ZINC000072709142 351377759 /nfs/dbraw/zinc/37/77/59/351377759.db2.gz QREMFTCENKPNFR-LURJTMIESA-N -1 3 248.308 0.225 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@H]1CCCO1 ZINC000631637355 351340229 /nfs/dbraw/zinc/34/02/29/351340229.db2.gz UKJIFDDIKXMROP-MRVPVSSYSA-N -1 3 246.288 0.440 20 0 BCADHM Cn1cnc(CCNC(=O)c2cncc([O-])c2)c1 ZINC000313479019 351364066 /nfs/dbraw/zinc/36/40/66/351364066.db2.gz HCUQQPFJQFXKHX-UHFFFAOYSA-N -1 3 246.270 0.493 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]C[C@@H]1CC1(C)C ZINC000631953638 363039446 /nfs/dbraw/zinc/03/94/46/363039446.db2.gz OUGLRMCIEZHJGB-ZETCQYMHSA-N -1 3 244.320 0.140 20 0 BCADHM CCN(C)S(=O)(=O)[N-]c1cnn(C)c1 ZINC000072758777 351478823 /nfs/dbraw/zinc/47/88/23/351478823.db2.gz RUQAKLJYTAUZFL-UHFFFAOYSA-N -1 3 218.282 0.029 20 0 BCADHM Cn1[nH]cnc1=NCc1c(F)ccc([O-])c1F ZINC000357692454 180606746 /nfs/dbraw/zinc/60/67/46/180606746.db2.gz ARKFNDXQPKGTRK-UHFFFAOYSA-N -1 3 240.213 0.833 20 0 BCADHM O=C(NC[C@H]1CCC[C@@H](O)C1)c1c[n-]nn1 ZINC000122627909 191138537 /nfs/dbraw/zinc/13/85/37/191138537.db2.gz HZOMPDWQJRKIHK-JGVFFNPUSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@H]1CCC[C@@H](O)C1)c1cnn[n-]1 ZINC000122627909 191138540 /nfs/dbraw/zinc/13/85/40/191138540.db2.gz HZOMPDWQJRKIHK-JGVFFNPUSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@H]1CCC[C@@H](O)C1)c1cn[n-]n1 ZINC000122627909 191138542 /nfs/dbraw/zinc/13/85/42/191138542.db2.gz HZOMPDWQJRKIHK-JGVFFNPUSA-N -1 3 224.264 0.086 20 0 BCADHM CCN1CC(=O)N[C@H]1c1cc([O-])cc(F)c1 ZINC000276386378 351619590 /nfs/dbraw/zinc/61/95/90/351619590.db2.gz FIRSEYVOTDQQBT-LLVKDONJSA-N -1 3 224.235 0.982 20 0 BCADHM C[C@@H]1CN(C(=O)c2ncccc2[O-])CCN1 ZINC000083814288 351948588 /nfs/dbraw/zinc/94/85/88/351948588.db2.gz DUOSVBORBMRGDS-MRVPVSSYSA-N -1 3 221.260 0.221 20 0 BCADHM O=c1[n-]c(SCCCN2CCOCC2)n[nH]1 ZINC000187648726 187587035 /nfs/dbraw/zinc/58/70/35/187587035.db2.gz HQXPVZNODPUONQ-UHFFFAOYSA-N -1 3 244.320 0.325 20 0 BCADHM C[C@]1(C(=O)Nc2ccccc2[O-])CNCCO1 ZINC000638171271 352038082 /nfs/dbraw/zinc/03/80/82/352038082.db2.gz VYHYJWFCASVSAO-GFCCVEGCSA-N -1 3 236.271 0.709 20 0 BCADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCNC1=O ZINC000613331267 363110421 /nfs/dbraw/zinc/11/04/21/363110421.db2.gz KIBMXBHTMGSWHP-SSDOTTSWSA-N -1 3 238.218 0.606 20 0 BCADHM CS(=O)(=O)[N-]N=C1CCCSC1 ZINC000393451561 352143744 /nfs/dbraw/zinc/14/37/44/352143744.db2.gz FTWRAEXQDZMXFK-UHFFFAOYSA-N -1 3 208.308 0.419 20 0 BCADHM CC[C@@H](O)CS(=O)(=O)c1cccc([O-])c1 ZINC000295870622 352426405 /nfs/dbraw/zinc/42/64/05/352426405.db2.gz JUNZUYRUSJTQSK-MRVPVSSYSA-N -1 3 230.285 0.937 20 0 BCADHM CC[C@H](CO)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000613265096 352426412 /nfs/dbraw/zinc/42/64/12/352426412.db2.gz MEUQCOKOUZRMRP-MRVPVSSYSA-N -1 3 249.270 0.769 20 0 BCADHM CO[C@@](C)([C@H](C)NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC000411967865 191234159 /nfs/dbraw/zinc/23/41/59/191234159.db2.gz IVZMMGWNNXWPJB-CPCISQLKSA-N -1 3 240.307 0.804 20 0 BCADHM O=C(c1cccc([O-])c1)N1C[C@@H](O)C2(CC2)C1 ZINC000334194631 352786856 /nfs/dbraw/zinc/78/68/56/352786856.db2.gz VEVVHRUFKTZPCD-LLVKDONJSA-N -1 3 233.267 0.989 20 0 BCADHM Cc1ncc(CNC(=O)Cc2ccco2)c(=O)[n-]1 ZINC000345132897 538105519 /nfs/dbraw/zinc/10/55/19/538105519.db2.gz SIXSYUJFKYHHAB-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM CCc1ccc(C(=O)N[C@H]2CNC(=O)C2)c([O-])c1 ZINC000334228811 352846241 /nfs/dbraw/zinc/84/62/41/352846241.db2.gz HIRYTTBNLAGPLN-SECBINFHSA-N -1 3 248.282 0.573 20 0 BCADHM CC(C)[C@@H](CO)CN=c1ncnc2[nH][n-]cc1-2 ZINC000342899165 352913400 /nfs/dbraw/zinc/91/34/00/352913400.db2.gz AARWONRHWJIKRF-MRVPVSSYSA-N -1 3 235.291 0.403 20 0 BCADHM O=C(NC[C@H]1CCC[C@H]1O)c1csc(=O)[n-]1 ZINC000332982431 538108590 /nfs/dbraw/zinc/10/85/90/538108590.db2.gz YCUJMCOQORIVIC-HTRCEHHLSA-N -1 3 242.300 0.740 20 0 BCADHM Oc1[n-]c(N[C@H]2CCCC[C@@H]2O)nc2nncc1-2 ZINC000274712311 188028344 /nfs/dbraw/zinc/02/83/44/188028344.db2.gz YFLQLPSHLJMQBE-YUMQZZPRSA-N -1 3 249.274 0.774 20 0 BCADHM CN(C)c1n[nH]c([N-]C(=O)c2cocn2)n1 ZINC000286075024 188034249 /nfs/dbraw/zinc/03/42/49/188034249.db2.gz SBSUPOHKWUCOCC-UHFFFAOYSA-N -1 3 222.208 0.111 20 0 BCADHM CC(C)(O)CO[N-]C(=O)/C=C/c1ccc[nH]1 ZINC000294779383 188038705 /nfs/dbraw/zinc/03/87/05/188038705.db2.gz BPIZXEOYRZJALW-AATRIKPKSA-N -1 3 224.260 0.847 20 0 BCADHM COc1nc(NC(=O)CCOCC2CC2)n[n-]1 ZINC000352638046 188058507 /nfs/dbraw/zinc/05/85/07/188058507.db2.gz QZNDZJDVSLTLPS-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nnc(NC(=O)CCOCC2CC2)[n-]1 ZINC000352638046 188058509 /nfs/dbraw/zinc/05/85/09/188058509.db2.gz QZNDZJDVSLTLPS-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COc1n[n-]c(NC(=O)CCOCC2CC2)n1 ZINC000352638046 188058510 /nfs/dbraw/zinc/05/85/10/188058510.db2.gz QZNDZJDVSLTLPS-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM O=C(C[C@H]1CC(=O)N1)Nc1ncccc1[O-] ZINC000613425621 363208673 /nfs/dbraw/zinc/20/86/73/363208673.db2.gz COSAVHZFKQZDHK-ZCFIWIBFSA-N -1 3 221.216 0.004 20 0 BCADHM COc1nc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)n[n-]1 ZINC000357501345 188239717 /nfs/dbraw/zinc/23/97/17/188239717.db2.gz PCSMHEKQFUBMMD-XVMARJQXSA-N -1 3 238.247 0.177 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)[n-]1 ZINC000357501345 188239718 /nfs/dbraw/zinc/23/97/18/188239718.db2.gz PCSMHEKQFUBMMD-XVMARJQXSA-N -1 3 238.247 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)n1 ZINC000357501345 188239720 /nfs/dbraw/zinc/23/97/20/188239720.db2.gz PCSMHEKQFUBMMD-XVMARJQXSA-N -1 3 238.247 0.177 20 0 BCADHM CC(=O)[N-]OCC(=O)N(C)c1ccccc1 ZINC000119925946 188328180 /nfs/dbraw/zinc/32/81/80/188328180.db2.gz ZVIBESUBAGSNAI-UHFFFAOYSA-N -1 3 222.244 0.717 20 0 BCADHM CN(C(=O)CCC(=O)[O-])[C@@H]1CCCN(C)C1 ZINC000053244684 188337125 /nfs/dbraw/zinc/33/71/25/188337125.db2.gz XTFLREPJYKBOFF-SECBINFHSA-N -1 3 228.292 0.404 20 0 BCADHM CC(C)C[C@H](CCO)CNC(=O)c1c[n-]nn1 ZINC000176319823 188341461 /nfs/dbraw/zinc/34/14/61/188341461.db2.gz DXORYWZHCONPFT-VIFPVBQESA-N -1 3 240.307 0.579 20 0 BCADHM CC(C)C[C@H](CCO)CNC(=O)c1cnn[n-]1 ZINC000176319823 188341463 /nfs/dbraw/zinc/34/14/63/188341463.db2.gz DXORYWZHCONPFT-VIFPVBQESA-N -1 3 240.307 0.579 20 0 BCADHM CC(C)C[C@H](CCO)CNC(=O)c1cn[n-]n1 ZINC000176319823 188341465 /nfs/dbraw/zinc/34/14/65/188341465.db2.gz DXORYWZHCONPFT-VIFPVBQESA-N -1 3 240.307 0.579 20 0 BCADHM CC(=O)[N-]OCC(=O)NCc1ccccc1 ZINC000178192834 188342776 /nfs/dbraw/zinc/34/27/76/188342776.db2.gz QXZPEZHHWHWZBK-UHFFFAOYSA-N -1 3 222.244 0.371 20 0 BCADHM CC(C)CN(CC(=O)NCC(=O)[O-])C(C)C ZINC000180546936 353401965 /nfs/dbraw/zinc/40/19/65/353401965.db2.gz IZCPEXHCBMCQTO-UHFFFAOYSA-N -1 3 230.308 0.554 20 0 BCADHM C[C@H]1CC(CNC(=O)c2c[n-]nn2)C[C@H](C)O1 ZINC000281769329 188384702 /nfs/dbraw/zinc/38/47/02/188384702.db2.gz UKRXICRLCKYUCP-YUMQZZPRSA-N -1 3 238.291 0.738 20 0 BCADHM C[C@H]1CC(CNC(=O)c2cnn[n-]2)C[C@H](C)O1 ZINC000281769329 188384703 /nfs/dbraw/zinc/38/47/03/188384703.db2.gz UKRXICRLCKYUCP-YUMQZZPRSA-N -1 3 238.291 0.738 20 0 BCADHM C[C@H]1CC(CNC(=O)c2cn[n-]n2)C[C@H](C)O1 ZINC000281769329 188384705 /nfs/dbraw/zinc/38/47/05/188384705.db2.gz UKRXICRLCKYUCP-YUMQZZPRSA-N -1 3 238.291 0.738 20 0 BCADHM COC(=O)[C@H](C)CC(=O)Nc1ncccc1[O-] ZINC000178225754 366106379 /nfs/dbraw/zinc/10/63/79/366106379.db2.gz CHPSPFNUGHBJKS-SSDOTTSWSA-N -1 3 238.243 0.925 20 0 BCADHM O=C(Nc1cnn(C(F)F)c1)c1cnn[n-]1 ZINC000343559593 353934312 /nfs/dbraw/zinc/93/43/12/353934312.db2.gz XQPCQGXHSBHURA-UHFFFAOYSA-N -1 3 228.162 0.649 20 0 BCADHM O=C(Nc1cnn(C(F)F)c1)c1c[n-]nn1 ZINC000343559593 353934317 /nfs/dbraw/zinc/93/43/17/353934317.db2.gz XQPCQGXHSBHURA-UHFFFAOYSA-N -1 3 228.162 0.649 20 0 BCADHM O=C(Nc1cnn(C(F)F)c1)c1cn[n-]n1 ZINC000343559593 353934320 /nfs/dbraw/zinc/93/43/20/353934320.db2.gz XQPCQGXHSBHURA-UHFFFAOYSA-N -1 3 228.162 0.649 20 0 BCADHM Cc1nc[nH]c1CC(=O)Nc1ncccc1[O-] ZINC000343845191 354020858 /nfs/dbraw/zinc/02/08/58/354020858.db2.gz AXVPKGACJGPPDE-UHFFFAOYSA-N -1 3 232.243 1.000 20 0 BCADHM C[C@@H]1CCCCCN1Cc1nc(=O)n(C)[n-]1 ZINC000334585201 354208365 /nfs/dbraw/zinc/20/83/65/354208365.db2.gz AZNYJKDBQYELAA-SECBINFHSA-N -1 3 224.308 0.873 20 0 BCADHM C[C@H]1CC[C@@H](Cn2cc(Cl)c(=O)[n-]c2=O)O1 ZINC000232024602 363360750 /nfs/dbraw/zinc/36/07/50/363360750.db2.gz CERUTQUUWFHFNL-BQBZGAKWSA-N -1 3 244.678 0.758 20 0 BCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccccn1 ZINC000344343550 354237561 /nfs/dbraw/zinc/23/75/61/354237561.db2.gz GSUHBTDXNXUHSM-UHFFFAOYSA-N -1 3 247.214 0.117 20 0 BCADHM C[C@@H]1CCC(C)(C)N1Cc1nc(=O)n(C)[n-]1 ZINC000334691685 354480366 /nfs/dbraw/zinc/48/03/66/354480366.db2.gz COOXWYAKFLPUQN-MRVPVSSYSA-N -1 3 224.308 0.871 20 0 BCADHM CC[C@@H](C)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000334708052 354502880 /nfs/dbraw/zinc/50/28/80/354502880.db2.gz FRXZSCBSMHNWJF-BDAKNGLRSA-N -1 3 225.292 0.269 20 0 BCADHM CC[C@H](C)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000334708053 354502905 /nfs/dbraw/zinc/50/29/05/354502905.db2.gz FRXZSCBSMHNWJF-DTWKUNHWSA-N -1 3 225.292 0.269 20 0 BCADHM Cn1[n-]c(CN2CCC[C@@H]3CCC[C@@H]32)nc1=O ZINC000335084120 354618080 /nfs/dbraw/zinc/61/80/80/354618080.db2.gz QGDKDDQBLPNJGM-UWVGGRQHSA-N -1 3 236.319 0.873 20 0 BCADHM CC[C@@H](NC(=O)c1c[n-]nn1)[C@@H](O)C(C)C ZINC000412760398 191311431 /nfs/dbraw/zinc/31/14/31/191311431.db2.gz WSXQHFOTJYQJHH-APPZFPTMSA-N -1 3 226.280 0.330 20 0 BCADHM CC[C@@H](NC(=O)c1cnn[n-]1)[C@@H](O)C(C)C ZINC000412760398 191311433 /nfs/dbraw/zinc/31/14/33/191311433.db2.gz WSXQHFOTJYQJHH-APPZFPTMSA-N -1 3 226.280 0.330 20 0 BCADHM CC[C@@H](NC(=O)c1cn[n-]n1)[C@@H](O)C(C)C ZINC000412760398 191311436 /nfs/dbraw/zinc/31/14/36/191311436.db2.gz WSXQHFOTJYQJHH-APPZFPTMSA-N -1 3 226.280 0.330 20 0 BCADHM C[C@@H]1CSC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627161461 363402153 /nfs/dbraw/zinc/40/21/53/363402153.db2.gz XCSPABXPQKXOPI-HTRCEHHLSA-N -1 3 239.300 0.664 20 0 BCADHM C[C@@H]1CSC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627161467 363402206 /nfs/dbraw/zinc/40/22/06/363402206.db2.gz XCSPABXPQKXOPI-SVRRBLITSA-N -1 3 239.300 0.664 20 0 BCADHM CC[C@H](N=c1ncnc2[nH][n-]cc1-2)[C@@H](O)C(C)C ZINC000413545343 191395022 /nfs/dbraw/zinc/39/50/22/191395022.db2.gz QYLMGSYQXAJMDL-UWVGGRQHSA-N -1 3 249.318 0.934 20 0 BCADHM CC(C)NC(=O)[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000413563882 191397702 /nfs/dbraw/zinc/39/77/02/191397702.db2.gz DDPXZBJWCGNLRY-ZETCQYMHSA-N -1 3 248.290 0.051 20 0 BCADHM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000335799175 355457941 /nfs/dbraw/zinc/45/79/41/355457941.db2.gz HFTJNYDCPUEJDD-SSDOTTSWSA-N -1 3 246.288 0.001 20 0 BCADHM COC[C@@H](C)NC(=O)NCc1ncccc1[O-] ZINC000349814232 355467771 /nfs/dbraw/zinc/46/77/71/355467771.db2.gz RYCDNZASULLMOJ-MRVPVSSYSA-N -1 3 239.275 0.621 20 0 BCADHM CC1=CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335807398 355480285 /nfs/dbraw/zinc/48/02/85/355480285.db2.gz DGHQUZAJPUOISN-UHFFFAOYSA-N -1 3 208.265 0.260 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)CCCCO)n1 ZINC000349937738 355532186 /nfs/dbraw/zinc/53/21/86/355532186.db2.gz VEQNXAQLJGKWHI-UHFFFAOYSA-N -1 3 239.319 0.949 20 0 BCADHM CN(Cc1cc([O-])cc(F)c1)[C@@H]1CCNC1=O ZINC000335821421 355540396 /nfs/dbraw/zinc/54/03/96/355540396.db2.gz ICEQDYOALQCNTG-LLVKDONJSA-N -1 3 238.262 0.852 20 0 BCADHM CN1CC[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000335878118 355648789 /nfs/dbraw/zinc/64/87/89/355648789.db2.gz UFYUBQUVIYRRJD-QMMMGPOBSA-N -1 3 230.289 0.262 20 0 BCADHM C[C@@]1(O)C[C@H](NC(=O)Cc2cncc([O-])c2)C1 ZINC000582191369 355700349 /nfs/dbraw/zinc/70/03/49/355700349.db2.gz VRYHWGKHFVIYCM-WVSHTKLVSA-N -1 3 236.271 0.359 20 0 BCADHM COc1nc(NC(=O)C2CCC(O)CC2)n[n-]1 ZINC000350704215 355744263 /nfs/dbraw/zinc/74/42/63/355744263.db2.gz WKHQOIGJXLCRIK-UHFFFAOYSA-N -1 3 240.263 0.303 20 0 BCADHM COc1nnc(NC(=O)C2CCC(O)CC2)[n-]1 ZINC000350704215 355744267 /nfs/dbraw/zinc/74/42/67/355744267.db2.gz WKHQOIGJXLCRIK-UHFFFAOYSA-N -1 3 240.263 0.303 20 0 BCADHM COc1n[n-]c(NC(=O)C2CCC(O)CC2)n1 ZINC000350704215 355744269 /nfs/dbraw/zinc/74/42/69/355744269.db2.gz WKHQOIGJXLCRIK-UHFFFAOYSA-N -1 3 240.263 0.303 20 0 BCADHM C[C@H](C(=O)[O-])N(C(=O)[C@H](N)C1CCC1)C1CC1 ZINC000399155129 355771153 /nfs/dbraw/zinc/77/11/53/355771153.db2.gz COANNLANUFNYRM-GMSGAONNSA-N -1 3 240.303 0.578 20 0 BCADHM O=S(=O)(Nc1cccc([O-])c1F)N1CCC1 ZINC000582196847 355730568 /nfs/dbraw/zinc/73/05/68/355730568.db2.gz FTBCGRPBRFSGMI-UHFFFAOYSA-N -1 3 246.263 0.894 20 0 BCADHM O=C([O-])[C@@H]1CCCN(Cc2ccno2)C1 ZINC000035084038 355798260 /nfs/dbraw/zinc/79/82/60/355798260.db2.gz SAVVFYMLSYRTQK-MRVPVSSYSA-N -1 3 210.233 0.971 20 0 BCADHM Cc1ncc(CNC(=O)CC(C)(C)O)c(=O)[n-]1 ZINC000350894478 355867865 /nfs/dbraw/zinc/86/78/65/355867865.db2.gz FWJQULMJZXGVPQ-UHFFFAOYSA-N -1 3 239.275 0.268 20 0 BCADHM NC(=O)CCCNC(=O)c1cccc([O-])c1 ZINC000037660561 181222380 /nfs/dbraw/zinc/22/23/80/181222380.db2.gz UWFJWLZCRWCHNY-UHFFFAOYSA-N -1 3 222.244 0.388 20 0 BCADHM NC(=O)CO[N-]C(=O)CCCc1ccccc1 ZINC000104054062 181237818 /nfs/dbraw/zinc/23/78/18/181237818.db2.gz BKNGYNYQWBSZBI-UHFFFAOYSA-N -1 3 236.271 0.542 20 0 BCADHM NC(=O)NCCC(=O)Nc1ccc([O-])cc1F ZINC000360862689 181257797 /nfs/dbraw/zinc/25/77/97/181257797.db2.gz ZOMHRKNGSHCCCZ-UHFFFAOYSA-N -1 3 241.222 0.528 20 0 BCADHM C[C@H]1CCN(C(=O)c2csc(=O)[n-]2)[C@@H]1CO ZINC000329920337 356144843 /nfs/dbraw/zinc/14/48/43/356144843.db2.gz GYJQTIOUWMQWLU-POYBYMJQSA-N -1 3 242.300 0.692 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](O)C2)n1 ZINC000192573385 356205725 /nfs/dbraw/zinc/20/57/25/356205725.db2.gz PRQNHDYHIULWHL-DTWKUNHWSA-N -1 3 223.276 0.618 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC/C=C\CO)c1 ZINC000617691159 356286630 /nfs/dbraw/zinc/28/66/30/356286630.db2.gz OTKPYXOJBNTQEZ-IHWYPQMZSA-N -1 3 221.256 0.979 20 0 BCADHM OC1(CCCN=c2ncnc3[nH][n-]cc2-3)CCC1 ZINC000420629328 192250870 /nfs/dbraw/zinc/25/08/70/192250870.db2.gz GOBAXMQKZDRJAC-UHFFFAOYSA-N -1 3 247.302 0.834 20 0 BCADHM CCC(F)(F)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000639552501 356452033 /nfs/dbraw/zinc/45/20/33/356452033.db2.gz ZRZYFRIEXWNHLI-ZETCQYMHSA-N -1 3 247.245 0.268 20 0 BCADHM NCC(F)(F)C[N-]S(=O)(=O)c1ccoc1 ZINC000420425329 192243798 /nfs/dbraw/zinc/24/37/98/192243798.db2.gz PAZSTTHGWMENHB-UHFFFAOYSA-N -1 3 240.231 0.152 20 0 BCADHM CC[C@H](O)C[N-]S(=O)(=O)c1ccccn1 ZINC000420740616 192260696 /nfs/dbraw/zinc/26/06/96/192260696.db2.gz GTJWGPYDDCXONG-QMMMGPOBSA-N -1 3 230.289 0.131 20 0 BCADHM CC(C)Cn1cc([N-]S(C)(=O)=O)cn1 ZINC000336163153 134111914 /nfs/dbraw/zinc/11/19/14/134111914.db2.gz JXFZSTIQYNJOHZ-UHFFFAOYSA-N -1 3 217.294 0.911 20 0 BCADHM NC(=O)[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000042406705 181279211 /nfs/dbraw/zinc/27/92/11/181279211.db2.gz FFGSEUWZXNJNNQ-LLVKDONJSA-N -1 3 248.282 0.872 20 0 BCADHM [O-]c1ccc(-c2noc(Cn3cnnn3)n2)cc1 ZINC000350581430 366302955 /nfs/dbraw/zinc/30/29/55/366302955.db2.gz QHUVRMQBJGMIMB-UHFFFAOYSA-N -1 3 244.214 0.477 20 0 BCADHM Cc1nnc([C@@H](C)NC(=O)c2cc(=O)[n-]cn2)[nH]1 ZINC000627203084 363499986 /nfs/dbraw/zinc/49/99/86/363499986.db2.gz CVIJECWFAZKKRM-RXMQYKEDSA-N -1 3 248.246 0.100 20 0 BCADHM CCN1[C@H](C)CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000639744054 356636790 /nfs/dbraw/zinc/63/67/90/356636790.db2.gz YSQCUXYSJLEUFM-DTORHVGOSA-N -1 3 239.323 0.425 20 0 BCADHM CCS(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000389504923 356693962 /nfs/dbraw/zinc/69/39/62/356693962.db2.gz AJQSZABQVCXKOU-YFKPBYRVSA-N -1 3 201.238 0.969 20 0 BCADHM O=C(NCC1(O)CCC1)c1ccc(O)cc1[O-] ZINC000163060041 202160794 /nfs/dbraw/zinc/16/07/94/202160794.db2.gz GFBUTOBFMVSQQI-UHFFFAOYSA-N -1 3 237.255 0.743 20 0 BCADHM CCN(Cc1nc(=O)n(C)[n-]1)CC(C)(C)C ZINC000361527491 356932083 /nfs/dbraw/zinc/93/20/83/356932083.db2.gz HBVQWRYYGOBXCW-UHFFFAOYSA-N -1 3 226.324 0.976 20 0 BCADHM CC(C)(CC(N)=O)NCc1ncccc1[O-] ZINC000582367889 357110025 /nfs/dbraw/zinc/11/00/25/357110025.db2.gz JXBKQWHYWKVLIE-UHFFFAOYSA-N -1 3 223.276 0.531 20 0 BCADHM C[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)CCC1=O ZINC000626510443 357154623 /nfs/dbraw/zinc/15/46/23/357154623.db2.gz BSAFUQLKISWUDD-ZETCQYMHSA-N -1 3 235.243 0.233 20 0 BCADHM CC(CO)(CO)CNC(=O)c1cccc([O-])c1 ZINC000393883111 357304904 /nfs/dbraw/zinc/30/49/04/357304904.db2.gz WAWVXALEIZMWDM-UHFFFAOYSA-N -1 3 239.271 0.113 20 0 BCADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000582472674 357314207 /nfs/dbraw/zinc/31/42/07/357314207.db2.gz PVCKJZCXPXRYAN-RRAGMBSWSA-N -1 3 237.263 0.278 20 0 BCADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000582472674 357314210 /nfs/dbraw/zinc/31/42/10/357314210.db2.gz PVCKJZCXPXRYAN-RRAGMBSWSA-N -1 3 237.263 0.278 20 0 BCADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000582472674 357314213 /nfs/dbraw/zinc/31/42/13/357314213.db2.gz PVCKJZCXPXRYAN-RRAGMBSWSA-N -1 3 237.263 0.278 20 0 BCADHM CCCNC(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000397076314 357497292 /nfs/dbraw/zinc/49/72/92/357497292.db2.gz CXVJAEYVLRQPHF-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CC(C)OCC(C)(C)NC(=O)c1c[n-]nn1 ZINC000396344249 357477342 /nfs/dbraw/zinc/47/73/42/357477342.db2.gz CSMFQHCICQNINP-UHFFFAOYSA-N -1 3 226.280 0.738 20 0 BCADHM CC(C)OCC(C)(C)NC(=O)c1cnn[n-]1 ZINC000396344249 357477344 /nfs/dbraw/zinc/47/73/44/357477344.db2.gz CSMFQHCICQNINP-UHFFFAOYSA-N -1 3 226.280 0.738 20 0 BCADHM CC(C)OCC(C)(C)NC(=O)c1cn[n-]n1 ZINC000396344249 357477346 /nfs/dbraw/zinc/47/73/46/357477346.db2.gz CSMFQHCICQNINP-UHFFFAOYSA-N -1 3 226.280 0.738 20 0 BCADHM Cc1cccc(C(=O)N[C@H]2CNC(=O)C2)c1[O-] ZINC000230655878 357545152 /nfs/dbraw/zinc/54/51/52/357545152.db2.gz BOLIVUIMPMZFRV-MRVPVSSYSA-N -1 3 234.255 0.319 20 0 BCADHM O=C([N-]c1cnns1)C(=O)NCCC1CC1 ZINC000430050770 538858580 /nfs/dbraw/zinc/85/85/80/538858580.db2.gz JQTUEFKJPSEACB-UHFFFAOYSA-N -1 3 240.288 0.393 20 0 BCADHM CCCN1CCC[C@H]1C(=O)NCCCC(=O)[O-] ZINC000262736859 535364794 /nfs/dbraw/zinc/36/47/94/535364794.db2.gz GGJUFNLUGCFMRF-JTQLQIEISA-N -1 3 242.319 0.842 20 0 BCADHM C[C@H](CCO)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000397830820 357719521 /nfs/dbraw/zinc/71/95/21/357719521.db2.gz KNZLBKIHWWXCPS-QMMMGPOBSA-N -1 3 247.320 0.097 20 0 BCADHM CC(C)N(CC(=O)[O-])C(=O)[C@H](N)C1CCC1 ZINC000399024027 357893565 /nfs/dbraw/zinc/89/35/65/357893565.db2.gz IMSAKRYSJGGWGN-SNVBAGLBSA-N -1 3 228.292 0.435 20 0 BCADHM CC(C)C[C@@H](NC(=O)[C@@H](N)C1CCC1)C(=O)[O-] ZINC000399149580 357896388 /nfs/dbraw/zinc/89/63/88/357896388.db2.gz YLFWSSFRQIMDQW-ZJUUUORDSA-N -1 3 242.319 0.729 20 0 BCADHM CN(CCCC(=O)[O-])C(=O)[C@]1(C)CCCCN1 ZINC000133328242 325286254 /nfs/dbraw/zinc/28/62/54/325286254.db2.gz CWCJUIRUYYLNQG-LBPRGKRZSA-N -1 3 242.319 0.842 20 0 BCADHM CC[C@H]1CN(Cc2ncccc2[O-])C[C@@H]1O ZINC000584436965 357920662 /nfs/dbraw/zinc/92/06/62/357920662.db2.gz KGGKINCZXASUMO-CABZTGNLSA-N -1 3 222.288 0.990 20 0 BCADHM Cn1[nH]cnc1=NC(=O)c1cc(C(F)F)n[n-]1 ZINC000639961954 358005824 /nfs/dbraw/zinc/00/58/24/358005824.db2.gz FQTGCSYDTKVGDT-UHFFFAOYSA-N -1 3 242.189 0.150 20 0 BCADHM Cn1[nH]cnc1=NC(=O)c1cc(C(F)F)[n-]n1 ZINC000639961954 358005828 /nfs/dbraw/zinc/00/58/28/358005828.db2.gz FQTGCSYDTKVGDT-UHFFFAOYSA-N -1 3 242.189 0.150 20 0 BCADHM CCC[C@@H](C)CS(=O)(=O)[N-]CC(=O)OC ZINC000172086785 134261198 /nfs/dbraw/zinc/26/11/98/134261198.db2.gz FPJBJAPIEXNVQC-MRVPVSSYSA-N -1 3 237.321 0.515 20 0 BCADHM O=C(NCc1cc[nH]n1)c1ccc(O)cc1[O-] ZINC000041016565 358241144 /nfs/dbraw/zinc/24/11/44/358241144.db2.gz NTKGCTSQSPMUDX-UHFFFAOYSA-N -1 3 233.227 0.751 20 0 BCADHM CC/C=C\CNc1nc2nncc-2c(O)[n-]1 ZINC000450696068 202237599 /nfs/dbraw/zinc/23/75/99/202237599.db2.gz RTZRNHVJTODHFV-ARJAWSKDSA-N -1 3 219.248 0.810 20 0 BCADHM N=c1nc(N2C[C@@H](F)[C@@H](F)C2)nc2[nH][n-]cc1-2 ZINC000450702620 202240364 /nfs/dbraw/zinc/24/03/64/202240364.db2.gz ABQCYPSLRSOXRB-OLQVQODUSA-N -1 3 240.217 0.213 20 0 BCADHM CCC[C@H](C)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225914189 358332242 /nfs/dbraw/zinc/33/22/42/358332242.db2.gz DMDFFCCEMRHVLZ-JTQLQIEISA-N -1 3 244.335 0.897 20 0 BCADHM C[C@@H](NC(=O)c1cccc2nn[n-]c21)[C@H](C)CO ZINC000180176704 366389689 /nfs/dbraw/zinc/38/96/89/366389689.db2.gz NFEPEOAFQQOZJH-HTQZYQBOSA-N -1 3 248.286 0.705 20 0 BCADHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)[C@H](C)CO ZINC000180176704 366389694 /nfs/dbraw/zinc/38/96/94/366389694.db2.gz NFEPEOAFQQOZJH-HTQZYQBOSA-N -1 3 248.286 0.705 20 0 BCADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)[C@H](C)CO ZINC000180176704 366389700 /nfs/dbraw/zinc/38/97/00/366389700.db2.gz NFEPEOAFQQOZJH-HTQZYQBOSA-N -1 3 248.286 0.705 20 0 BCADHM C[C@@H](C[S@](C)=O)Nc1ccncc1C(=O)[O-] ZINC000229012240 358344317 /nfs/dbraw/zinc/34/43/17/358344317.db2.gz KMHTYXZDAGFHNC-GYKQLYQFSA-N -1 3 242.300 0.959 20 0 BCADHM C[S@](=O)CCCNc1ccncc1C(=O)[O-] ZINC000229289418 358374721 /nfs/dbraw/zinc/37/47/21/358374721.db2.gz VZXOEFIMFOCEDW-INIZCTEOSA-N -1 3 242.300 0.960 20 0 BCADHM CC(C)CCN1CCO[C@@H](C(=O)[O-])C1 ZINC000044471321 358387869 /nfs/dbraw/zinc/38/78/69/358387869.db2.gz BEEOTLYEQZNXNJ-SECBINFHSA-N -1 3 201.266 0.818 20 0 BCADHM CCOC(=O)[C@H](N)C(=O)Nc1ccccc1[O-] ZINC000224128681 358525905 /nfs/dbraw/zinc/52/59/05/358525905.db2.gz BXNVWKQNADJIIO-SECBINFHSA-N -1 3 238.243 0.221 20 0 BCADHM O=C([N-]c1nnc2ccccn21)c1cnns1 ZINC000048797533 358653735 /nfs/dbraw/zinc/65/37/35/358653735.db2.gz KNFXSKCOPKMGDZ-UHFFFAOYSA-N -1 3 246.255 0.833 20 0 BCADHM COc1ccc([O-])c(C(=O)N[C@@H]2CCOC2)c1 ZINC000131555699 358681842 /nfs/dbraw/zinc/68/18/42/358681842.db2.gz PRTVYBFYAIUVQW-MRVPVSSYSA-N -1 3 237.255 0.920 20 0 BCADHM C[C@H]1C[C@H]1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000132657655 358731563 /nfs/dbraw/zinc/73/15/63/358731563.db2.gz WHKPDVXKQZHCSA-IMTBSYHQSA-N -1 3 246.270 0.812 20 0 BCADHM C[C@H]1C[C@@H]1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000132657278 358732128 /nfs/dbraw/zinc/73/21/28/358732128.db2.gz WHKPDVXKQZHCSA-RCOVLWMOSA-N -1 3 246.270 0.812 20 0 BCADHM O=C(NCCCc1nc(=O)[n-][nH]1)C1CC=CC1 ZINC000176269750 134290463 /nfs/dbraw/zinc/29/04/63/134290463.db2.gz FKNCCVXAOSJOTJ-UHFFFAOYSA-N -1 3 236.275 0.113 20 0 BCADHM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948355 359036740 /nfs/dbraw/zinc/03/67/40/359036740.db2.gz DFCTXHBDGJIKNT-QMMMGPOBSA-N -1 3 247.320 0.095 20 0 BCADHM O=C(NC[C@H]1CC[C@H](O)C1)c1cc(=O)[n-]cn1 ZINC000626631392 358996274 /nfs/dbraw/zinc/99/62/74/358996274.db2.gz WZZLSAPZHNDZDN-YUMQZZPRSA-N -1 3 237.259 0.073 20 0 BCADHM CC(C)=CCNC(=O)c1cc(=O)[n-]cn1 ZINC000626635492 358997661 /nfs/dbraw/zinc/99/76/61/358997661.db2.gz NJMCSMHEVMAWOI-UHFFFAOYSA-N -1 3 207.233 0.878 20 0 BCADHM CCN1CN(C(=O)c2c(C)cccc2[O-])CC1=O ZINC000626644533 359001449 /nfs/dbraw/zinc/00/14/49/359001449.db2.gz AALIUVVZYUACCS-UHFFFAOYSA-N -1 3 248.282 0.962 20 0 BCADHM COCC1(C)CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000626709924 359520703 /nfs/dbraw/zinc/52/07/03/359520703.db2.gz UAZHLIFEADIXEH-UHFFFAOYSA-N -1 3 237.259 0.291 20 0 BCADHM CCSCCN1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000580456581 359564345 /nfs/dbraw/zinc/56/43/45/359564345.db2.gz ISNGPBBZGOXTBA-RKDXNWHRSA-N -1 3 233.333 0.913 20 0 BCADHM CCSCCN1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000580456578 359564557 /nfs/dbraw/zinc/56/45/57/359564557.db2.gz ISNGPBBZGOXTBA-BDAKNGLRSA-N -1 3 233.333 0.913 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCC(O)CC1 ZINC000035187499 359650581 /nfs/dbraw/zinc/65/05/81/359650581.db2.gz MHMWPSGNWYREIG-UHFFFAOYSA-N -1 3 237.255 0.695 20 0 BCADHM c1[n-][nH]c2ncnc(=NCCC[C@H]3CCOC3)c1-2 ZINC000450887981 202298116 /nfs/dbraw/zinc/29/81/16/202298116.db2.gz JVVJBQILVAEBFV-VIFPVBQESA-N -1 3 247.302 0.955 20 0 BCADHM COCCCC(=O)Nc1[n-]cnc1C(=O)OC ZINC000578376126 366544234 /nfs/dbraw/zinc/54/42/34/366544234.db2.gz QYFRSTUZKRFKPH-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM COCCCC(=O)Nc1nc[n-]c1C(=O)OC ZINC000578376126 366544237 /nfs/dbraw/zinc/54/42/37/366544237.db2.gz QYFRSTUZKRFKPH-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM CC(C)[C@H](N)C(=O)NCc1ncccc1[O-] ZINC000578504901 366581198 /nfs/dbraw/zinc/58/11/98/366581198.db2.gz YRYWYRLDRVAOFJ-JTQLQIEISA-N -1 3 223.276 0.387 20 0 BCADHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000087371319 359908219 /nfs/dbraw/zinc/90/82/19/359908219.db2.gz RTKFWYAZHSBPQE-QMMMGPOBSA-N -1 3 247.320 0.097 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cccc3nn[n-]c32)CO1 ZINC000578655194 366622157 /nfs/dbraw/zinc/62/21/57/366622157.db2.gz WCCOQKFTVMNVRV-HTQZYQBOSA-N -1 3 246.270 0.865 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cccc3[n-]nnc32)CO1 ZINC000578655194 366622162 /nfs/dbraw/zinc/62/21/62/366622162.db2.gz WCCOQKFTVMNVRV-HTQZYQBOSA-N -1 3 246.270 0.865 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc32)CO1 ZINC000578655194 366622166 /nfs/dbraw/zinc/62/21/66/366622166.db2.gz WCCOQKFTVMNVRV-HTQZYQBOSA-N -1 3 246.270 0.865 20 0 BCADHM Cc1ccc([O-])c(CN[C@H](C)C(N)=O)n1 ZINC000082420362 491146250 /nfs/dbraw/zinc/14/62/50/491146250.db2.gz OAVZCNHLXDVJAA-SSDOTTSWSA-N -1 3 209.249 0.059 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C1)c1cccc2nn[n-]c21 ZINC000612638467 359961517 /nfs/dbraw/zinc/96/15/17/359961517.db2.gz RMEJZLCCYCAFNC-KNVOCYPGSA-N -1 3 232.243 0.211 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C1)c1cccc2[n-]nnc21 ZINC000612638467 359961523 /nfs/dbraw/zinc/96/15/23/359961523.db2.gz RMEJZLCCYCAFNC-KNVOCYPGSA-N -1 3 232.243 0.211 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C1)c1cccc2n[n-]nc21 ZINC000612638467 359961528 /nfs/dbraw/zinc/96/15/28/359961528.db2.gz RMEJZLCCYCAFNC-KNVOCYPGSA-N -1 3 232.243 0.211 20 0 BCADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H](O)C1CC1 ZINC000612632396 359966902 /nfs/dbraw/zinc/96/69/02/359966902.db2.gz PNKULMLXJOZCPJ-NSHDSACASA-N -1 3 239.246 0.918 20 0 BCADHM O=c1[n-]c(CN(CC2CC2)CC2CC2)n[nH]1 ZINC000091621082 360121024 /nfs/dbraw/zinc/12/10/24/360121024.db2.gz RDQJVURGUSTFMN-UHFFFAOYSA-N -1 3 222.292 0.720 20 0 BCADHM O=C(N[C@H]1CCOC1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000612860278 360124291 /nfs/dbraw/zinc/12/42/91/360124291.db2.gz GUVJOXQVTXTEQJ-QMMMGPOBSA-N -1 3 247.254 0.787 20 0 BCADHM CCc1ccc([O-])c(C(=O)NC2(C(N)=O)CC2)c1 ZINC000092600813 360184749 /nfs/dbraw/zinc/18/47/49/360184749.db2.gz VWTIIETVXGQANZ-UHFFFAOYSA-N -1 3 248.282 0.702 20 0 BCADHM C[C@H]1CCC[C@H](C)N1Cc1n[nH]c(=O)[n-]1 ZINC000092618598 360186363 /nfs/dbraw/zinc/18/63/63/360186363.db2.gz FEFVEWKOXFYWPG-YUMQZZPRSA-N -1 3 210.281 0.861 20 0 BCADHM CC(=O)Nc1ccc([O-])c(C(=O)NCCO)c1 ZINC000097370994 360370313 /nfs/dbraw/zinc/37/03/13/360370313.db2.gz ZTNXQTLVTPZHNR-UHFFFAOYSA-N -1 3 238.243 0.073 20 0 BCADHM CC1(CC(=O)Nc2[n-]nnc2C(N)=O)CC1 ZINC000578963583 366681214 /nfs/dbraw/zinc/68/12/14/366681214.db2.gz XQSYTDBXTSMWHH-UHFFFAOYSA-N -1 3 223.236 0.032 20 0 BCADHM CC1(CC(=O)Nc2nn[n-]c2C(N)=O)CC1 ZINC000578963583 366681216 /nfs/dbraw/zinc/68/12/16/366681216.db2.gz XQSYTDBXTSMWHH-UHFFFAOYSA-N -1 3 223.236 0.032 20 0 BCADHM CC1(CC(=O)Nc2n[n-]nc2C(N)=O)CC1 ZINC000578963583 366681219 /nfs/dbraw/zinc/68/12/19/366681219.db2.gz XQSYTDBXTSMWHH-UHFFFAOYSA-N -1 3 223.236 0.032 20 0 BCADHM COc1cc([N-]C(=O)c2nc(C)no2)[nH]n1 ZINC000628628242 360584276 /nfs/dbraw/zinc/58/42/76/360584276.db2.gz OHNIPEJOIIKWFD-UHFFFAOYSA-N -1 3 223.192 0.362 20 0 BCADHM COC(=O)[C@H]([N-]S(=O)(=O)C1CC1)C(C)C ZINC000080936151 360588552 /nfs/dbraw/zinc/58/85/52/360588552.db2.gz IXMNOMBGPIBILV-MRVPVSSYSA-N -1 3 235.305 0.266 20 0 BCADHM O=C(Nc1cnn(CCF)c1)c1nc[n-]n1 ZINC000628764602 360636598 /nfs/dbraw/zinc/63/65/98/360636598.db2.gz NAXWXRPBHIZGHT-UHFFFAOYSA-N -1 3 224.199 0.223 20 0 BCADHM COc1nc(NC(=O)[C@H]2CC[C@@H](OC)C2)n[n-]1 ZINC000613196956 360723921 /nfs/dbraw/zinc/72/39/21/360723921.db2.gz XLZVTEMSELIBQT-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CC[C@@H](OC)C2)[n-]1 ZINC000613196956 360723925 /nfs/dbraw/zinc/72/39/25/360723925.db2.gz XLZVTEMSELIBQT-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CC[C@@H](OC)C2)n1 ZINC000613196956 360723930 /nfs/dbraw/zinc/72/39/30/360723930.db2.gz XLZVTEMSELIBQT-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)C2CC3(CC3)C2)n[n-]1 ZINC000613197184 360725078 /nfs/dbraw/zinc/72/50/78/360725078.db2.gz YOQIUAHMCYHKBH-UHFFFAOYSA-N -1 3 222.248 0.942 20 0 BCADHM COc1nnc(NC(=O)C2CC3(CC3)C2)[n-]1 ZINC000613197184 360725083 /nfs/dbraw/zinc/72/50/83/360725083.db2.gz YOQIUAHMCYHKBH-UHFFFAOYSA-N -1 3 222.248 0.942 20 0 BCADHM COc1n[n-]c(NC(=O)C2CC3(CC3)C2)n1 ZINC000613197184 360725087 /nfs/dbraw/zinc/72/50/87/360725087.db2.gz YOQIUAHMCYHKBH-UHFFFAOYSA-N -1 3 222.248 0.942 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)c1ccsc1 ZINC000362410948 181313753 /nfs/dbraw/zinc/31/37/53/181313753.db2.gz NCMHIWLMIVOZHS-UHFFFAOYSA-N -1 3 237.244 0.217 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)c1ccsc1 ZINC000362410948 181313755 /nfs/dbraw/zinc/31/37/55/181313755.db2.gz NCMHIWLMIVOZHS-UHFFFAOYSA-N -1 3 237.244 0.217 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)c1ccsc1 ZINC000362410948 181313759 /nfs/dbraw/zinc/31/37/59/181313759.db2.gz NCMHIWLMIVOZHS-UHFFFAOYSA-N -1 3 237.244 0.217 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)c1cccc(F)c1 ZINC000362409600 181314126 /nfs/dbraw/zinc/31/41/26/181314126.db2.gz FZJNVZCSDXRVJV-UHFFFAOYSA-N -1 3 249.205 0.295 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)c1cccc(F)c1 ZINC000362409600 181314127 /nfs/dbraw/zinc/31/41/27/181314127.db2.gz FZJNVZCSDXRVJV-UHFFFAOYSA-N -1 3 249.205 0.295 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)c1cccc(F)c1 ZINC000362409600 181314131 /nfs/dbraw/zinc/31/41/31/181314131.db2.gz FZJNVZCSDXRVJV-UHFFFAOYSA-N -1 3 249.205 0.295 20 0 BCADHM O=C(NC[C@H]1C[C@@H](O)C1)c1ccc2n[n-]nc2c1 ZINC000629069883 360859060 /nfs/dbraw/zinc/85/90/60/360859060.db2.gz IDFFEKMEICBELB-OTSSQURYSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(NC[C@H]1C[C@@H](O)C1)c1cccc2nn[n-]c21 ZINC000629072522 360861149 /nfs/dbraw/zinc/86/11/49/360861149.db2.gz HEOIQEYQVSFYOR-OCAPTIKFSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(NC[C@H]1C[C@@H](O)C1)c1cccc2[n-]nnc21 ZINC000629072522 360861152 /nfs/dbraw/zinc/86/11/52/360861152.db2.gz HEOIQEYQVSFYOR-OCAPTIKFSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(NC[C@H]1C[C@@H](O)C1)c1cccc2n[n-]nc21 ZINC000629072522 360861155 /nfs/dbraw/zinc/86/11/55/360861155.db2.gz HEOIQEYQVSFYOR-OCAPTIKFSA-N -1 3 246.270 0.459 20 0 BCADHM C[C@H]1C[C@@H]1CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000629364522 361009880 /nfs/dbraw/zinc/00/98/80/361009880.db2.gz MKHSZEVRNGMTKT-SGIHWFKDSA-N -1 3 213.277 0.816 20 0 BCADHM COCCN1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629362028 361012029 /nfs/dbraw/zinc/01/20/29/361012029.db2.gz QEQZOHMUUWRNFR-UHFFFAOYSA-N -1 3 230.308 0.114 20 0 BCADHM CCC[C@H](C(=O)[O-])N1CCO[C@@](C)(COC)C1 ZINC000629378906 361027690 /nfs/dbraw/zinc/02/76/90/361027690.db2.gz KXEQWGNVCAAUFL-ZYHUDNBSSA-N -1 3 245.319 0.977 20 0 BCADHM CCC[C@H](C(=O)[O-])N1CCO[C@](C)(COC)C1 ZINC000629378905 361027790 /nfs/dbraw/zinc/02/77/90/361027790.db2.gz KXEQWGNVCAAUFL-PWSUYJOCSA-N -1 3 245.319 0.977 20 0 BCADHM N[C@@H](CC(F)F)C(=O)NCc1ncccc1[O-] ZINC000578986458 366686793 /nfs/dbraw/zinc/68/67/93/366686793.db2.gz ZTYSLPJXZGMVAJ-LURJTMIESA-N -1 3 245.229 0.386 20 0 BCADHM O=S(=O)([N-]CC1(O)CCC1)c1cccs1 ZINC000159170329 361223417 /nfs/dbraw/zinc/22/34/17/361223417.db2.gz GMXNPBBWKHNQJP-UHFFFAOYSA-N -1 3 247.341 0.941 20 0 BCADHM COC[C@@H]1CCN1C(=O)c1cc(F)c[n-]c1=O ZINC000622067966 370690732 /nfs/dbraw/zinc/69/07/32/370690732.db2.gz VONDPWPPJJRPKR-QMMMGPOBSA-N -1 3 240.234 0.787 20 0 BCADHM Cc1nnc([N-]CC(=O)NC2CCCC2)o1 ZINC000309852389 491157456 /nfs/dbraw/zinc/15/74/56/491157456.db2.gz JIHHNFUSDUWONQ-UHFFFAOYSA-N -1 3 224.264 0.849 20 0 BCADHM O=c1[n-]c(CN[C@H]2Cc3cccc(O)c3C2)n[nH]1 ZINC000429321731 201102688 /nfs/dbraw/zinc/10/26/88/201102688.db2.gz ZTIWMZWRTYXRHY-QMMMGPOBSA-N -1 3 246.270 0.473 20 0 BCADHM CC[C@@H](C)N(C)C(=O)C(=O)[N-]c1cnns1 ZINC000429652978 201123103 /nfs/dbraw/zinc/12/31/03/201123103.db2.gz XQSHFXDSLPZNIW-ZCFIWIBFSA-N -1 3 242.304 0.734 20 0 BCADHM CSCCN1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000381684861 361513062 /nfs/dbraw/zinc/51/30/62/361513062.db2.gz YMMFAVHKOGAEFH-MRVPVSSYSA-N -1 3 241.364 0.728 20 0 BCADHM C/C=C/C[C@@H]([N-]S(=O)(=O)CC)C(=O)OCC ZINC000433880608 201199063 /nfs/dbraw/zinc/19/90/63/201199063.db2.gz RYJMJDHRYDGKPM-ILFKPUCNSA-N -1 3 249.332 0.824 20 0 BCADHM CCn1ncnc1CNC(=O)c1ccccc1[O-] ZINC000436905491 201339078 /nfs/dbraw/zinc/33/90/78/201339078.db2.gz AFFMPNCVPIONQG-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM COc1cc(NC(=O)c2nc[n-]n2)ccc1O ZINC000438121054 201392898 /nfs/dbraw/zinc/39/28/98/201392898.db2.gz OHRBHHWQFNNFEN-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H](O)C1CC1 ZINC000614580620 363891323 /nfs/dbraw/zinc/89/13/23/363891323.db2.gz AGUGFVZIFNJXHJ-SSDOTTSWSA-N -1 3 210.237 0.007 20 0 BCADHM O=C([N-]c1nncn1C1CC1)[C@H](O)C1CC1 ZINC000614583436 363896366 /nfs/dbraw/zinc/89/63/66/363896366.db2.gz XFTCZFAVEMFKCJ-MRVPVSSYSA-N -1 3 222.248 0.322 20 0 BCADHM CN(C(=O)c1cccc([O-])c1)C1(CO)CC1 ZINC000614764013 363957147 /nfs/dbraw/zinc/95/71/47/363957147.db2.gz RYYNAVPKYAAKHX-UHFFFAOYSA-N -1 3 221.256 0.989 20 0 BCADHM Cc1c[nH]nc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614914638 364072215 /nfs/dbraw/zinc/07/22/15/364072215.db2.gz NOEBETYMHXIMTL-UHFFFAOYSA-N -1 3 249.274 0.104 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cc[nH]c1 ZINC000614920726 364092475 /nfs/dbraw/zinc/09/24/75/364092475.db2.gz GEDNRYOTCXGBBV-UHFFFAOYSA-N -1 3 234.259 0.401 20 0 BCADHM C[C@@]1(O)C[C@H](NC(=O)c2cc(F)c[n-]c2=O)C1 ZINC000622110070 370716604 /nfs/dbraw/zinc/71/66/04/370716604.db2.gz MXGQXPINPDDBFP-DGFRNANFSA-N -1 3 240.234 0.570 20 0 BCADHM CC(C)(C)c1cnc(S(=O)(=O)CCCO)[n-]1 ZINC000630436799 364165342 /nfs/dbraw/zinc/16/53/42/364165342.db2.gz RSYZBBZNQRWXEW-UHFFFAOYSA-N -1 3 246.332 0.863 20 0 BCADHM CC(C)(C)c1c[n-]c(S(=O)(=O)CCCO)n1 ZINC000630436799 364165347 /nfs/dbraw/zinc/16/53/47/364165347.db2.gz RSYZBBZNQRWXEW-UHFFFAOYSA-N -1 3 246.332 0.863 20 0 BCADHM CCCN(C)CC(=O)N(C)Cc1n[n-]c(=O)o1 ZINC000622118508 370721035 /nfs/dbraw/zinc/72/10/35/370721035.db2.gz ZGCVCEODDBBJEF-UHFFFAOYSA-N -1 3 242.279 0.075 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C1)c1c([O-])cccc1O ZINC000622184971 370751110 /nfs/dbraw/zinc/75/11/10/370751110.db2.gz RDRQFIICVAXUAA-LJGSYFOKSA-N -1 3 223.228 0.351 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H]1CC12CC2 ZINC000614930800 364190759 /nfs/dbraw/zinc/19/07/59/364190759.db2.gz NENCURFOEGRMNJ-SECBINFHSA-N -1 3 235.287 0.559 20 0 BCADHM COC[C@H](C)CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000614990434 364279454 /nfs/dbraw/zinc/27/94/54/364279454.db2.gz BVQXYICVOJBAEF-ZCFIWIBFSA-N -1 3 238.251 0.064 20 0 BCADHM C[C@@H]1CC[C@H](C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC000614993559 364287507 /nfs/dbraw/zinc/28/75/07/364287507.db2.gz IZIVDCGSCKFKKN-RQJHMYQMSA-N -1 3 234.263 0.827 20 0 BCADHM CC(C)[C@@H]1C[C@@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614995022 364290302 /nfs/dbraw/zinc/29/03/02/364290302.db2.gz ZBIJJBUJGLTQMH-BQBZGAKWSA-N -1 3 234.263 0.683 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1CC12CC2 ZINC000614996543 364307177 /nfs/dbraw/zinc/30/71/77/364307177.db2.gz LXROWOIEFUYNIO-YFKPBYRVSA-N -1 3 218.220 0.191 20 0 BCADHM CN(CCOCC(=O)[O-])[C@H]1CC1(C)C ZINC000573330862 364802513 /nfs/dbraw/zinc/80/25/13/364802513.db2.gz CCMLAZRCOZWDDE-QMMMGPOBSA-N -1 3 201.266 0.818 20 0 BCADHM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)[O-] ZINC000573729468 364905333 /nfs/dbraw/zinc/90/53/33/364905333.db2.gz VUPBCWBWQAJRHE-XKSSXDPKSA-N -1 3 227.260 0.345 20 0 BCADHM COC[C@@H]1CN([C@H](C(=O)[O-])C2CC2)C[C@H](C)O1 ZINC000573855459 364932485 /nfs/dbraw/zinc/93/24/85/364932485.db2.gz IIEGOLOKBUWENT-LSJOCFKGSA-N -1 3 243.303 0.585 20 0 BCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccn2)CO1 ZINC000574317534 365034737 /nfs/dbraw/zinc/03/47/37/365034737.db2.gz WTDPIVHUAAEGBX-BDAKNGLRSA-N -1 3 242.300 0.537 20 0 BCADHM Cn1cncc1CNC(=O)Cc1cncc([O-])c1 ZINC000576052255 365466452 /nfs/dbraw/zinc/46/64/52/365466452.db2.gz DNXDAVOFIGWWPI-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM COC(=O)[C@@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000576044275 365461051 /nfs/dbraw/zinc/46/10/51/365461051.db2.gz NRCSJNMRCMEMJM-VDDIYKPWSA-N -1 3 241.287 0.735 20 0 BCADHM CCOC(=O)CNC(=O)c1cccc2nn[n-]c21 ZINC000182728436 366936420 /nfs/dbraw/zinc/93/64/20/366936420.db2.gz MYRGEJDHAQGQAP-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM CCOC(=O)CNC(=O)c1cccc2[n-]nnc21 ZINC000182728436 366936425 /nfs/dbraw/zinc/93/64/25/366936425.db2.gz MYRGEJDHAQGQAP-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM CCOC(=O)CNC(=O)c1cccc2n[n-]nc21 ZINC000182728436 366936431 /nfs/dbraw/zinc/93/64/31/366936431.db2.gz MYRGEJDHAQGQAP-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM COc1cc([N-]C(=O)c2cocn2)ncn1 ZINC000157893276 541489534 /nfs/dbraw/zinc/48/95/34/541489534.db2.gz SOTUHQXFWXMTQW-UHFFFAOYSA-N -1 3 220.188 0.726 20 0 BCADHM CN1CCN(C(=O)c2cccc3[n-]nnc32)CC1 ZINC000183287485 367010877 /nfs/dbraw/zinc/01/08/77/367010877.db2.gz OERUTSOKLCATOO-UHFFFAOYSA-N -1 3 245.286 0.346 20 0 BCADHM CN1CCN(C(=O)c2cccc3nn[n-]c32)CC1 ZINC000183287485 367010883 /nfs/dbraw/zinc/01/08/83/367010883.db2.gz OERUTSOKLCATOO-UHFFFAOYSA-N -1 3 245.286 0.346 20 0 BCADHM CN1CCN(C(=O)c2cccc3n[n-]nc32)CC1 ZINC000183287485 367010885 /nfs/dbraw/zinc/01/08/85/367010885.db2.gz OERUTSOKLCATOO-UHFFFAOYSA-N -1 3 245.286 0.346 20 0 BCADHM CC[C@H](C)C[C@H]([N-]S(C)(=O)=O)C(=O)OC ZINC000579947536 367096223 /nfs/dbraw/zinc/09/62/23/367096223.db2.gz RIPTWSGBNMVXCL-YUMQZZPRSA-N -1 3 237.321 0.513 20 0 BCADHM COCc1nc(=NC[C@H](C)N(C)C)s[n-]1 ZINC000380248478 367158940 /nfs/dbraw/zinc/15/89/40/367158940.db2.gz ORRSMPHANRKRMH-ZETCQYMHSA-N -1 3 230.337 0.468 20 0 BCADHM COCc1nsc(=NC[C@H](C)N(C)C)[n-]1 ZINC000380248478 367158945 /nfs/dbraw/zinc/15/89/45/367158945.db2.gz ORRSMPHANRKRMH-ZETCQYMHSA-N -1 3 230.337 0.468 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@H]1CCCOC1 ZINC000581142587 367276878 /nfs/dbraw/zinc/27/68/78/367276878.db2.gz OGUDHBZGKHZNIV-JTQLQIEISA-N -1 3 236.271 0.625 20 0 BCADHM [O-]c1cccnc1CN1C[C@H](O)C2(CC2)C1 ZINC000581218253 367297427 /nfs/dbraw/zinc/29/74/27/367297427.db2.gz QFGVWWXPWQGKJO-NSHDSACASA-N -1 3 220.272 0.744 20 0 BCADHM COC1(C)CN(C(=O)c2c([O-])cccc2O)C1 ZINC000383004353 367583881 /nfs/dbraw/zinc/58/38/81/367583881.db2.gz ZBJOPLDCHUHRHD-UHFFFAOYSA-N -1 3 237.255 0.959 20 0 BCADHM COCC(COC)Nc1ccncc1C(=O)[O-] ZINC000384166567 367674546 /nfs/dbraw/zinc/67/45/46/367674546.db2.gz LKSJLMIZYYIHAT-UHFFFAOYSA-N -1 3 240.259 0.275 20 0 BCADHM CCCCN(C)CCNC(=O)[C@H](C)C(=O)[O-] ZINC000566221095 326017040 /nfs/dbraw/zinc/01/70/40/326017040.db2.gz XFTMCHFOFSUZRY-VIFPVBQESA-N -1 3 230.308 0.555 20 0 BCADHM O=C([O-])c1cnccc1N[C@@H]1CC[S@@](=O)C1 ZINC000582005586 368128279 /nfs/dbraw/zinc/12/82/79/368128279.db2.gz APFDDFCDBYUCLB-VGDKGRGNSA-N -1 3 240.284 0.135 20 0 BCADHM Cc1ccc(C(=O)N2CCOCCN2)c([O-])c1 ZINC000615499392 368075440 /nfs/dbraw/zinc/07/54/40/368075440.db2.gz RKCBHUYGOJDLCF-UHFFFAOYSA-N -1 3 236.271 0.678 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCC12COC2 ZINC000615934465 368704518 /nfs/dbraw/zinc/70/45/18/368704518.db2.gz SHUBGXVUOISEHF-UHFFFAOYSA-N -1 3 244.254 0.573 20 0 BCADHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000068281199 368721235 /nfs/dbraw/zinc/72/12/35/368721235.db2.gz XNCQPKQCLRXQFX-RKDXNWHRSA-N -1 3 209.249 0.591 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCC1CSC1 ZINC000616050449 368917085 /nfs/dbraw/zinc/91/70/85/368917085.db2.gz XFFUNYIFIWIDGT-UHFFFAOYSA-N -1 3 238.312 0.809 20 0 BCADHM O=C([O-])c1cnccc1N1CCC(O)CC1 ZINC000088109674 368904113 /nfs/dbraw/zinc/90/41/13/368904113.db2.gz ZVPPWDUOXMZCRC-UHFFFAOYSA-N -1 3 222.244 0.741 20 0 BCADHM CN(CC1CN(C)C1)C(=O)Cc1cncc([O-])c1 ZINC000618189717 369082788 /nfs/dbraw/zinc/08/27/88/369082788.db2.gz SSSQXBFVDWTBHI-UHFFFAOYSA-N -1 3 249.314 0.350 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1C2CCC1CC2 ZINC000623671723 369301736 /nfs/dbraw/zinc/30/17/36/369301736.db2.gz PXSYMGDBELNHLT-UHFFFAOYSA-N -1 3 219.244 0.949 20 0 BCADHM CN(CCCO)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459434082 203279514 /nfs/dbraw/zinc/27/95/14/203279514.db2.gz MNCGDERXCHWCNQ-UHFFFAOYSA-N -1 3 237.303 0.874 20 0 BCADHM O=C(NC[C@@H]1Cc2ccccc21)c1c[n-]nn1 ZINC000108457659 369395005 /nfs/dbraw/zinc/39/50/05/369395005.db2.gz MGFSAUORHCZVOH-VIFPVBQESA-N -1 3 228.255 0.874 20 0 BCADHM O=C(NC[C@@H]1Cc2ccccc21)c1cnn[n-]1 ZINC000108457659 369395010 /nfs/dbraw/zinc/39/50/10/369395010.db2.gz MGFSAUORHCZVOH-VIFPVBQESA-N -1 3 228.255 0.874 20 0 BCADHM O=C(NC[C@@H]1Cc2ccccc21)c1cn[n-]n1 ZINC000108457659 369395015 /nfs/dbraw/zinc/39/50/15/369395015.db2.gz MGFSAUORHCZVOH-VIFPVBQESA-N -1 3 228.255 0.874 20 0 BCADHM Cc1ccn(CC(=O)Nc2ncccc2[O-])n1 ZINC000622505293 370968644 /nfs/dbraw/zinc/96/86/44/370968644.db2.gz YDKVTPXTJYNKJV-UHFFFAOYSA-N -1 3 232.243 0.931 20 0 BCADHM CC(=O)c1ccc(C(=O)N[C@H]2C[C@H](O)C2)cc1[O-] ZINC000620877074 370031126 /nfs/dbraw/zinc/03/11/26/370031126.db2.gz XWGPPNXRGOFNTI-MGCOHNPYSA-N -1 3 249.266 0.848 20 0 BCADHM COc1ccc([N-]S(C)(=O)=O)c(OC)n1 ZINC000620710616 369980378 /nfs/dbraw/zinc/98/03/78/369980378.db2.gz UTOVAHJOBKCLNR-UHFFFAOYSA-N -1 3 232.261 0.470 20 0 BCADHM CSCCNC(=O)c1csc(=O)[n-]1 ZINC000308295726 370119914 /nfs/dbraw/zinc/11/99/14/370119914.db2.gz IANLGASJHUZXHN-UHFFFAOYSA-N -1 3 218.303 0.529 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCOCC1 ZINC000621257643 370190529 /nfs/dbraw/zinc/19/05/29/370190529.db2.gz FSEUQIWBDUHSFC-UHFFFAOYSA-N -1 3 226.207 0.399 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(F)c[n-]c2=O)CCO1 ZINC000621343507 370277436 /nfs/dbraw/zinc/27/74/36/370277436.db2.gz IWIYIMQQLQVZFM-SSDOTTSWSA-N -1 3 240.234 0.787 20 0 BCADHM CC[C@@H](CO)NC(=O)c1cc(F)c[n-]c1=O ZINC000621530748 370380252 /nfs/dbraw/zinc/38/02/52/370380252.db2.gz DGTPYVQRDVCEGX-ZETCQYMHSA-N -1 3 228.223 0.427 20 0 BCADHM CCN(CCO)C(=O)c1cc(F)c[n-]c1=O ZINC000621531776 370381282 /nfs/dbraw/zinc/38/12/82/370381282.db2.gz ICAHIOVHPNROHA-UHFFFAOYSA-N -1 3 228.223 0.381 20 0 BCADHM CN(C(=O)c1cc(F)c[n-]c1=O)[C@@H]1CCOC1 ZINC000621915121 370597594 /nfs/dbraw/zinc/59/75/94/370597594.db2.gz RREPTXJVAVRKKT-MRVPVSSYSA-N -1 3 240.234 0.787 20 0 BCADHM C[C@H](CO)[C@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000621917930 370599645 /nfs/dbraw/zinc/59/96/45/370599645.db2.gz NKMSYVBHAMJZQM-RQJHMYQMSA-N -1 3 242.250 0.673 20 0 BCADHM CC[C@](C)(O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621885213 370579875 /nfs/dbraw/zinc/57/98/75/370579875.db2.gz ISDTUUFRQPUDCE-NSHDSACASA-N -1 3 242.250 0.817 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@H](CO)C1 ZINC000621933371 370607814 /nfs/dbraw/zinc/60/78/14/370607814.db2.gz FCHNMPRHULONFB-ZETCQYMHSA-N -1 3 240.234 0.381 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N(CCO)C1CC1 ZINC000621933911 370607839 /nfs/dbraw/zinc/60/78/39/370607839.db2.gz ZXABKGKNCPJCCY-UHFFFAOYSA-N -1 3 240.234 0.523 20 0 BCADHM CC1(CO)CN(C(=O)c2ccccc2[O-])C1 ZINC000622649692 371036233 /nfs/dbraw/zinc/03/62/33/371036233.db2.gz DCLQLJAFLHDSMJ-UHFFFAOYSA-N -1 3 221.256 0.847 20 0 BCADHM CN(Cc1cnn(C)c1)C(=O)c1cc(=O)[n-]cn1 ZINC000623990422 371222545 /nfs/dbraw/zinc/22/25/45/371222545.db2.gz CMVCGRXAZUGGLP-UHFFFAOYSA-N -1 3 247.258 0.188 20 0 BCADHM COCCCCNC(=O)c1cc(=O)[n-]cn1 ZINC000624161451 371354773 /nfs/dbraw/zinc/35/47/73/371354773.db2.gz BHHTWRVYFCJXNC-UHFFFAOYSA-N -1 3 225.248 0.339 20 0 BCADHM CCN(C(=O)c1cc(=O)[n-]cn1)[C@@H]1CCOC1 ZINC000627439944 371621068 /nfs/dbraw/zinc/62/10/68/371621068.db2.gz YLYUVLGMNLSNSH-MRVPVSSYSA-N -1 3 237.259 0.433 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@H](F)C1 ZINC000627608377 371778198 /nfs/dbraw/zinc/77/81/98/371778198.db2.gz GMYFXYIMGZZBEE-ZCFIWIBFSA-N -1 3 211.196 0.366 20 0 BCADHM C[C@H]1CC[C@H](CNC(=O)c2cc(=O)[n-]cn2)O1 ZINC000627713384 371876852 /nfs/dbraw/zinc/87/68/52/371876852.db2.gz QCCOWWRNSSGWGL-JGVFFNPUSA-N -1 3 237.259 0.480 20 0 BCADHM CC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000228273753 372010477 /nfs/dbraw/zinc/01/04/77/372010477.db2.gz CMOIODRWHZIUNR-SNVBAGLBSA-N -1 3 248.282 0.743 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@H]1C[C@H]1C ZINC000631746734 372546620 /nfs/dbraw/zinc/54/66/20/372546620.db2.gz QYONHASNPZYICX-HTRCEHHLSA-N -1 3 230.289 0.917 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1C ZINC000631746737 372546910 /nfs/dbraw/zinc/54/69/10/372546910.db2.gz QYONHASNPZYICX-XPUUQOCRSA-N -1 3 230.289 0.917 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CC[C@@H](C)O ZINC000632001013 372718882 /nfs/dbraw/zinc/71/88/82/372718882.db2.gz DRWMVDPNVOYAMS-ZCFIWIBFSA-N -1 3 234.277 0.032 20 0 BCADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1nncn1C ZINC000632017401 372725130 /nfs/dbraw/zinc/72/51/30/372725130.db2.gz WNPHBYUKDXNLOA-MRVPVSSYSA-N -1 3 246.336 0.386 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]CCCC1CC1 ZINC000631989504 372714994 /nfs/dbraw/zinc/71/49/94/372714994.db2.gz VCMGUSPCHIHULE-UHFFFAOYSA-N -1 3 244.320 0.284 20 0 BCADHM CC[C@H](COC)[N-]S(=O)(=O)c1conc1C ZINC000631997761 372716671 /nfs/dbraw/zinc/71/66/71/372716671.db2.gz IANQUBCAPTWKGN-MRVPVSSYSA-N -1 3 248.304 0.686 20 0 BCADHM CC(C)=CCC[N-]S(=O)(=O)c1nncn1C ZINC000632267654 372848807 /nfs/dbraw/zinc/84/88/07/372848807.db2.gz JGRVKYHMGRFJIV-UHFFFAOYSA-N -1 3 244.320 0.450 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CCC[C@@H](C)O ZINC000632285955 372865551 /nfs/dbraw/zinc/86/55/51/372865551.db2.gz BYCKQAFYNJUUNO-SSDOTTSWSA-N -1 3 248.304 0.422 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CCC[C@H](C)O ZINC000632285956 372865746 /nfs/dbraw/zinc/86/57/46/372865746.db2.gz BYCKQAFYNJUUNO-ZETCQYMHSA-N -1 3 248.304 0.422 20 0 BCADHM CN(C)CCCS(=O)(=O)[N-]CC(C)(F)F ZINC000632371022 372905391 /nfs/dbraw/zinc/90/53/91/372905391.db2.gz SADDGEDOGSHOQD-UHFFFAOYSA-N -1 3 244.307 0.513 20 0 BCADHM CC[C@H](NC(C)=O)C(=O)Nc1ncccc1[O-] ZINC000632400158 372921035 /nfs/dbraw/zinc/92/10/35/372921035.db2.gz IDDRBMREOUMBKE-QMMMGPOBSA-N -1 3 237.259 0.640 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]C1(C(C)=O)CC1 ZINC000632449181 372953275 /nfs/dbraw/zinc/95/32/75/372953275.db2.gz UNVWDYFOQGIZFK-SSDOTTSWSA-N -1 3 235.305 0.062 20 0 BCADHM CC[C@H](CS(=O)(=O)[N-]C1(C(C)=O)CC1)OC ZINC000632446367 372950119 /nfs/dbraw/zinc/95/01/19/372950119.db2.gz FDAYXHONDSLYKG-SECBINFHSA-N -1 3 249.332 0.452 20 0 BCADHM CC[C@H](CS(=O)(=O)[N-]Cc1cocn1)OC ZINC000632542586 372997648 /nfs/dbraw/zinc/99/76/48/372997648.db2.gz CMDVCYGGNJELIG-SECBINFHSA-N -1 3 248.304 0.519 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]C1CC(C)(C)C1 ZINC000632573535 373012394 /nfs/dbraw/zinc/01/23/94/373012394.db2.gz DSPFDUBHBJEOGZ-UHFFFAOYSA-N -1 3 244.320 0.282 20 0 BCADHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]CC(C)(C)F ZINC000632609144 373031681 /nfs/dbraw/zinc/03/16/81/373031681.db2.gz WFEOBKQJQYQIKQ-JGVFFNPUSA-N -1 3 239.312 0.831 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1C[C@H]1C ZINC000632628116 373040994 /nfs/dbraw/zinc/04/09/94/373040994.db2.gz OFMDAHOOAXEIMU-XRGYYRRGSA-N -1 3 230.289 0.978 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@@H]1C ZINC000632628117 373041139 /nfs/dbraw/zinc/04/11/39/373041139.db2.gz OFMDAHOOAXEIMU-YLWLKBPMSA-N -1 3 230.289 0.978 20 0 BCADHM CO[C@@H]1CCC[C@H]1S(=O)(=O)[N-]C1(C)COC1 ZINC000632664933 373058885 /nfs/dbraw/zinc/05/88/85/373058885.db2.gz XGSMJGDZUVPTOG-RKDXNWHRSA-N -1 3 249.332 0.262 20 0 BCADHM Cc1cc(CS(=O)(=O)[N-]C2(C)COC2)on1 ZINC000632665552 373058929 /nfs/dbraw/zinc/05/89/29/373058929.db2.gz VXBGVFRMNJUXKE-UHFFFAOYSA-N -1 3 246.288 0.191 20 0 BCADHM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C)cn1C ZINC000632628752 373042708 /nfs/dbraw/zinc/04/27/08/373042708.db2.gz YUJNXOVTPLUZBF-POYBYMJQSA-N -1 3 229.305 0.415 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@H]1C(F)F ZINC000633255948 373417583 /nfs/dbraw/zinc/41/75/83/373417583.db2.gz ILMPJXPVXUOHSF-LURJTMIESA-N -1 3 229.186 0.662 20 0 BCADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCCC1 ZINC000158030853 182122644 /nfs/dbraw/zinc/12/26/44/182122644.db2.gz MONUQLGNVHYKDT-UHFFFAOYSA-N -1 3 248.282 0.744 20 0 BCADHM O=C(NCC1(C2CC2)CC1)c1c[n-]nn1 ZINC000119033047 182128319 /nfs/dbraw/zinc/12/83/19/182128319.db2.gz ZDATWZCULUCYFP-UHFFFAOYSA-N -1 3 206.249 0.725 20 0 BCADHM O=C(NCC1(C2CC2)CC1)c1cnn[n-]1 ZINC000119033047 182128321 /nfs/dbraw/zinc/12/83/21/182128321.db2.gz ZDATWZCULUCYFP-UHFFFAOYSA-N -1 3 206.249 0.725 20 0 BCADHM O=C(NCC1(C2CC2)CC1)c1cn[n-]n1 ZINC000119033047 182128323 /nfs/dbraw/zinc/12/83/23/182128323.db2.gz ZDATWZCULUCYFP-UHFFFAOYSA-N -1 3 206.249 0.725 20 0 BCADHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)[C@@H]1CC=CCC1 ZINC000633522433 373583367 /nfs/dbraw/zinc/58/33/67/373583367.db2.gz UYJYGBYZNRRIHB-MRVPVSSYSA-N -1 3 249.270 0.860 20 0 BCADHM O=C(NCCCc1ccc(O)cc1)c1c[n-]nn1 ZINC000265491591 182175809 /nfs/dbraw/zinc/17/58/09/182175809.db2.gz VNUBFAZLPXXFCT-UHFFFAOYSA-N -1 3 246.270 0.873 20 0 BCADHM O=C(NCCCc1ccc(O)cc1)c1cnn[n-]1 ZINC000265491591 182175811 /nfs/dbraw/zinc/17/58/11/182175811.db2.gz VNUBFAZLPXXFCT-UHFFFAOYSA-N -1 3 246.270 0.873 20 0 BCADHM O=C(NCCCc1ccc(O)cc1)c1cn[n-]n1 ZINC000265491591 182175812 /nfs/dbraw/zinc/17/58/12/182175812.db2.gz VNUBFAZLPXXFCT-UHFFFAOYSA-N -1 3 246.270 0.873 20 0 BCADHM O=C([N-]CCc1nnc[nH]1)C(F)(F)C(F)F ZINC000229951066 182211204 /nfs/dbraw/zinc/21/12/04/182211204.db2.gz NYPWRWQJAYFGSI-UHFFFAOYSA-N -1 3 240.160 0.364 20 0 BCADHM O=C([N-]CCc1nc[nH]n1)C(F)(F)C(F)F ZINC000229951066 182211206 /nfs/dbraw/zinc/21/12/06/182211206.db2.gz NYPWRWQJAYFGSI-UHFFFAOYSA-N -1 3 240.160 0.364 20 0 BCADHM N[C@]1(C(=O)NCc2ncccc2[O-])CC1(F)F ZINC000634275987 374086802 /nfs/dbraw/zinc/08/68/02/374086802.db2.gz KRGIGAKRSIOBFE-VIFPVBQESA-N -1 3 243.213 0.140 20 0 BCADHM O=C(NC[C@H](O)C1CCCCC1)c1c[n-]nn1 ZINC000170805109 182234232 /nfs/dbraw/zinc/23/42/32/182234232.db2.gz LHGFRRPYMVBJHQ-JTQLQIEISA-N -1 3 238.291 0.476 20 0 BCADHM O=C(NC[C@H](O)C1CCCCC1)c1cnn[n-]1 ZINC000170805109 182234234 /nfs/dbraw/zinc/23/42/34/182234234.db2.gz LHGFRRPYMVBJHQ-JTQLQIEISA-N -1 3 238.291 0.476 20 0 BCADHM O=C(NC[C@H](O)C1CCCCC1)c1cn[n-]n1 ZINC000170805109 182234236 /nfs/dbraw/zinc/23/42/36/182234236.db2.gz LHGFRRPYMVBJHQ-JTQLQIEISA-N -1 3 238.291 0.476 20 0 BCADHM O=C(NC[C@H]1CCSC1)c1c[n-]nn1 ZINC000228603025 182243950 /nfs/dbraw/zinc/24/39/50/182243950.db2.gz JVPOPHFJATVYKJ-ZCFIWIBFSA-N -1 3 212.278 0.288 20 0 BCADHM O=C(NC[C@H]1CCSC1)c1cnn[n-]1 ZINC000228603025 182243952 /nfs/dbraw/zinc/24/39/52/182243952.db2.gz JVPOPHFJATVYKJ-ZCFIWIBFSA-N -1 3 212.278 0.288 20 0 BCADHM O=C(NC[C@H]1CCSC1)c1cn[n-]n1 ZINC000228603025 182243953 /nfs/dbraw/zinc/24/39/53/182243953.db2.gz JVPOPHFJATVYKJ-ZCFIWIBFSA-N -1 3 212.278 0.288 20 0 BCADHM O=C(NC[C@H]1CC=CCC1)c1c[n-]nn1 ZINC000049277949 182234843 /nfs/dbraw/zinc/23/48/43/182234843.db2.gz OPUATPSBWOHCRN-QMMMGPOBSA-N -1 3 206.249 0.891 20 0 BCADHM O=C(NC[C@H]1CC=CCC1)c1cnn[n-]1 ZINC000049277949 182234846 /nfs/dbraw/zinc/23/48/46/182234846.db2.gz OPUATPSBWOHCRN-QMMMGPOBSA-N -1 3 206.249 0.891 20 0 BCADHM O=C(NC[C@H]1CC=CCC1)c1cn[n-]n1 ZINC000049277949 182234850 /nfs/dbraw/zinc/23/48/50/182234850.db2.gz OPUATPSBWOHCRN-QMMMGPOBSA-N -1 3 206.249 0.891 20 0 BCADHM O=C(NCc1ncccc1[O-])c1ccc[nH]c1=O ZINC000352502518 182273545 /nfs/dbraw/zinc/27/35/45/182273545.db2.gz VPKVUXZZQCLSDF-UHFFFAOYSA-N -1 3 245.238 0.818 20 0 BCADHM O=C(NCc1ncccc1[O-])c1ccn[nH]1 ZINC000352511482 182273992 /nfs/dbraw/zinc/27/39/92/182273992.db2.gz YFJXTYTZLCZQEH-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM O=C(N[C@@H](CO)C1CCCC1)c1c[n-]nn1 ZINC000291317413 182286285 /nfs/dbraw/zinc/28/62/85/182286285.db2.gz RCOZARAPUSITEP-VIFPVBQESA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H](CO)C1CCCC1)c1cnn[n-]1 ZINC000291317413 182286290 /nfs/dbraw/zinc/28/62/90/182286290.db2.gz RCOZARAPUSITEP-VIFPVBQESA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H](CO)C1CCCC1)c1cn[n-]n1 ZINC000291317413 182286292 /nfs/dbraw/zinc/28/62/92/182286292.db2.gz RCOZARAPUSITEP-VIFPVBQESA-N -1 3 224.264 0.086 20 0 BCADHM O=C([N-]N1CCCNC1=O)c1ccoc1 ZINC000272542820 182277968 /nfs/dbraw/zinc/27/79/68/182277968.db2.gz GZSAUQYWVHFJTN-UHFFFAOYSA-N -1 3 209.205 0.340 20 0 BCADHM O=C(N[C@@H]1CCCCC[C@H]1O)c1c[n-]nn1 ZINC000130873958 182292169 /nfs/dbraw/zinc/29/21/69/182292169.db2.gz MTVDGYYUIVLBCC-VXNVDRBHSA-N -1 3 224.264 0.228 20 0 BCADHM O=C(N[C@@H]1CCCCC[C@H]1O)c1cnn[n-]1 ZINC000130873958 182292171 /nfs/dbraw/zinc/29/21/71/182292171.db2.gz MTVDGYYUIVLBCC-VXNVDRBHSA-N -1 3 224.264 0.228 20 0 BCADHM O=C(N[C@@H]1CCCCC[C@H]1O)c1cn[n-]n1 ZINC000130873958 182292174 /nfs/dbraw/zinc/29/21/74/182292174.db2.gz MTVDGYYUIVLBCC-VXNVDRBHSA-N -1 3 224.264 0.228 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]1OC(F)F)c1c[n-]nn1 ZINC000337586474 182299262 /nfs/dbraw/zinc/29/92/62/182299262.db2.gz FOFBOOMKYKICQF-VDTYLAMSSA-N -1 3 246.217 0.695 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]1OC(F)F)c1cnn[n-]1 ZINC000337586474 182299263 /nfs/dbraw/zinc/29/92/63/182299263.db2.gz FOFBOOMKYKICQF-VDTYLAMSSA-N -1 3 246.217 0.695 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]1OC(F)F)c1cn[n-]n1 ZINC000337586474 182299264 /nfs/dbraw/zinc/29/92/64/182299264.db2.gz FOFBOOMKYKICQF-VDTYLAMSSA-N -1 3 246.217 0.695 20 0 BCADHM O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1c[n-]nn1 ZINC000185057014 182306290 /nfs/dbraw/zinc/30/62/90/182306290.db2.gz UEYLVHHVLNNTHV-PSASIEDQSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cnn[n-]1 ZINC000185057014 182306292 /nfs/dbraw/zinc/30/62/92/182306292.db2.gz UEYLVHHVLNNTHV-PSASIEDQSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cn[n-]n1 ZINC000185057014 182306294 /nfs/dbraw/zinc/30/62/94/182306294.db2.gz UEYLVHHVLNNTHV-PSASIEDQSA-N -1 3 236.275 0.492 20 0 BCADHM O=C([N-][C@@H]1CN(c2ccccc2)C1=O)C(F)F ZINC000369336421 182314601 /nfs/dbraw/zinc/31/46/01/182314601.db2.gz VVPZKCIYJICPKX-MRVPVSSYSA-N -1 3 240.209 0.783 20 0 BCADHM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1c[n-]nn1 ZINC000093631650 182322411 /nfs/dbraw/zinc/32/24/11/182322411.db2.gz JSXHUCDVFOXGQP-GHMZBOCLSA-N -1 3 244.254 0.193 20 0 BCADHM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cnn[n-]1 ZINC000093631650 182322414 /nfs/dbraw/zinc/32/24/14/182322414.db2.gz JSXHUCDVFOXGQP-GHMZBOCLSA-N -1 3 244.254 0.193 20 0 BCADHM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cn[n-]n1 ZINC000093631650 182322416 /nfs/dbraw/zinc/32/24/16/182322416.db2.gz JSXHUCDVFOXGQP-GHMZBOCLSA-N -1 3 244.254 0.193 20 0 BCADHM O=C(N[C@H]1CCOC2(CCC2)C1)c1c[n-]nn1 ZINC000269016883 182337198 /nfs/dbraw/zinc/33/71/98/182337198.db2.gz CSUNFIFLMJSNSR-QMMMGPOBSA-N -1 3 236.275 0.636 20 0 BCADHM O=C(N[C@H]1CCOC2(CCC2)C1)c1cnn[n-]1 ZINC000269016883 182337199 /nfs/dbraw/zinc/33/71/99/182337199.db2.gz CSUNFIFLMJSNSR-QMMMGPOBSA-N -1 3 236.275 0.636 20 0 BCADHM O=C(N[C@H]1CCOC2(CCC2)C1)c1cn[n-]n1 ZINC000269016883 182337200 /nfs/dbraw/zinc/33/72/00/182337200.db2.gz CSUNFIFLMJSNSR-QMMMGPOBSA-N -1 3 236.275 0.636 20 0 BCADHM O=C(N[C@H]1COc2ccc(F)cc21)c1c[n-]nn1 ZINC000341362259 182342136 /nfs/dbraw/zinc/34/21/36/182342136.db2.gz FCFGAMHOKXOYOF-VIFPVBQESA-N -1 3 248.217 0.807 20 0 BCADHM O=C(N[C@H]1COc2ccc(F)cc21)c1cnn[n-]1 ZINC000341362259 182342139 /nfs/dbraw/zinc/34/21/39/182342139.db2.gz FCFGAMHOKXOYOF-VIFPVBQESA-N -1 3 248.217 0.807 20 0 BCADHM O=C(N[C@H]1COc2ccc(F)cc21)c1cn[n-]n1 ZINC000341362259 182342142 /nfs/dbraw/zinc/34/21/42/182342142.db2.gz FCFGAMHOKXOYOF-VIFPVBQESA-N -1 3 248.217 0.807 20 0 BCADHM CCN1C[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC000459467363 206129566 /nfs/dbraw/zinc/12/95/66/206129566.db2.gz RTBZIQVXGUTOCA-RKDXNWHRSA-N -1 3 239.323 0.425 20 0 BCADHM O=C(Nc1cc(F)ccc1[O-])C(=O)NC1CC1 ZINC000270339177 182349771 /nfs/dbraw/zinc/34/97/71/182349771.db2.gz BHTWOTREEYFAKK-UHFFFAOYSA-N -1 3 238.218 0.748 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@]1(O)CCSC1 ZINC000180995684 182399597 /nfs/dbraw/zinc/39/95/97/182399597.db2.gz XZMZNGFOTFVQFG-SNVBAGLBSA-N -1 3 240.284 0.594 20 0 BCADHM O=C(Nc1cnn(CC(F)F)c1)c1nc[n-]n1 ZINC000269566500 182395488 /nfs/dbraw/zinc/39/54/88/182395488.db2.gz MHISQWXLTOTNBA-UHFFFAOYSA-N -1 3 242.189 0.519 20 0 BCADHM O=c1[n-]c(CNC2(CCO)CCCCC2)n[nH]1 ZINC000340839400 183042380 /nfs/dbraw/zinc/04/23/80/183042380.db2.gz QIUFYWAWJSLSBC-UHFFFAOYSA-N -1 3 240.307 0.685 20 0 BCADHM CCCC[C@H](NC(=O)[C@H]1CCCCN1)C(=O)[O-] ZINC000040482372 169010888 /nfs/dbraw/zinc/01/08/88/169010888.db2.gz SKJZIPYDMKILIZ-ZJUUUORDSA-N -1 3 242.319 0.888 20 0 BCADHM O=c1[n-]c(CN[C@@H](CO)C2CCCC2)n[nH]1 ZINC000336670495 183141292 /nfs/dbraw/zinc/14/12/92/183141292.db2.gz HJYHYOLLTRJLDT-QMMMGPOBSA-N -1 3 226.280 0.151 20 0 BCADHM O=c1[n-]nc(CN2C[C@@H](F)C[C@H]2CO)s1 ZINC000367452396 183129311 /nfs/dbraw/zinc/12/93/11/183129311.db2.gz UKORXDNWUPOMFA-WDSKDSINSA-N -1 3 233.268 0.148 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H](C)CCN1 ZINC000161214574 169097305 /nfs/dbraw/zinc/09/73/05/169097305.db2.gz RRWKNXZYVXAYSQ-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM O=c1[n-]c(CN2CC[C@H]([C@@H]3CCOC3)C2)n[nH]1 ZINC000340911522 183306553 /nfs/dbraw/zinc/30/65/53/183306553.db2.gz IHWNHVCWDCLRRR-DTWKUNHWSA-N -1 3 238.291 0.369 20 0 BCADHM O=c1[n-]c(CN2CC[C@@H]([C@@H]3CCOC3)C2)n[nH]1 ZINC000340911525 183306934 /nfs/dbraw/zinc/30/69/34/183306934.db2.gz IHWNHVCWDCLRRR-RKDXNWHRSA-N -1 3 238.291 0.369 20 0 BCADHM CCCN(Cc1n[nH]c(=O)[n-]1)CC(C)(C)O ZINC000340916722 169181074 /nfs/dbraw/zinc/18/10/74/169181074.db2.gz RFQVQHLOQOSKJI-UHFFFAOYSA-N -1 3 228.296 0.493 20 0 BCADHM CCCN1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000042374283 169201663 /nfs/dbraw/zinc/20/16/63/169201663.db2.gz OLAZFTUAOGZNHJ-UHFFFAOYSA-N -1 3 214.309 0.877 20 0 BCADHM CCCNC(=O)[C@@H](C)N1CCC[C@H](C(=O)[O-])C1 ZINC000035084083 169240761 /nfs/dbraw/zinc/24/07/61/169240761.db2.gz AYFAJGRCCDRVHH-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CCC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000308202871 169273380 /nfs/dbraw/zinc/27/33/80/169273380.db2.gz FWOCJXUOAHMKAO-UHFFFAOYSA-N -1 3 203.267 0.108 20 0 BCADHM CCCS(=O)(=O)[N-]Cc1nnc(CC)s1 ZINC000352592878 169332896 /nfs/dbraw/zinc/33/28/96/169332896.db2.gz KHUNNLIDFNAHSM-UHFFFAOYSA-N -1 3 249.361 0.930 20 0 BCADHM CCCS(=O)(=O)[N-]c1cnc(C)nc1 ZINC000273609345 169334223 /nfs/dbraw/zinc/33/42/23/169334223.db2.gz PARSZQXAQQDCHY-UHFFFAOYSA-N -1 3 215.278 0.937 20 0 BCADHM CCC[C@@H](CC)NC(=O)C[C@H]1NC(=O)[N-]C1=O ZINC000343337934 169376710 /nfs/dbraw/zinc/37/67/10/169376710.db2.gz IPXLZKLHGWTDHF-HTQZYQBOSA-N -1 3 241.291 0.279 20 0 BCADHM CCC[C@@H](CNC(=O)c1c[n-]nn1)OC ZINC000293645327 169384021 /nfs/dbraw/zinc/38/40/21/169384021.db2.gz KARYPWUGFGEBEN-ZETCQYMHSA-N -1 3 212.253 0.350 20 0 BCADHM CCC[C@@H](CNC(=O)c1cnn[n-]1)OC ZINC000293645327 169384022 /nfs/dbraw/zinc/38/40/22/169384022.db2.gz KARYPWUGFGEBEN-ZETCQYMHSA-N -1 3 212.253 0.350 20 0 BCADHM CCC[C@@H](CNC(=O)c1cn[n-]n1)OC ZINC000293645327 169384023 /nfs/dbraw/zinc/38/40/23/169384023.db2.gz KARYPWUGFGEBEN-ZETCQYMHSA-N -1 3 212.253 0.350 20 0 BCADHM c1n[nH]cc1CCN=c1ncnc2[nH][n-]cc1-2 ZINC000356968768 183537388 /nfs/dbraw/zinc/53/73/88/183537388.db2.gz DTUCTYIWTFIHMV-UHFFFAOYSA-N -1 3 229.247 0.104 20 0 BCADHM CCN(CC(C)C)C(=O)CN1CC(=O)[N-]C1=O ZINC000111561858 383869470 /nfs/dbraw/zinc/86/94/70/383869470.db2.gz BPJPJHDVZMNDJC-UHFFFAOYSA-N -1 3 241.291 0.043 20 0 BCADHM Cc1ccc(C(=O)N[C@H](C)C(N)=O)c([O-])c1 ZINC000035149298 383835363 /nfs/dbraw/zinc/83/53/63/383835363.db2.gz PNTHVVMVUVSBAR-SSDOTTSWSA-N -1 3 222.244 0.304 20 0 BCADHM CC(C)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000070233214 383893604 /nfs/dbraw/zinc/89/36/04/383893604.db2.gz SSZDBPASEIJGBX-UHFFFAOYSA-N -1 3 217.294 0.354 20 0 BCADHM Cc1nc([N-]C(=O)c2c(C)noc2C)n[nH]1 ZINC000112702705 383944227 /nfs/dbraw/zinc/94/42/27/383944227.db2.gz QUIHCZDSCQDKMF-UHFFFAOYSA-N -1 3 221.220 0.970 20 0 BCADHM CCN(CC)S(=O)(=O)[N-]CC(F)F ZINC000074969801 384037565 /nfs/dbraw/zinc/03/75/65/384037565.db2.gz SDSGNMTYLJDSTN-UHFFFAOYSA-N -1 3 216.253 0.428 20 0 BCADHM O=c1[n-]c(=O)n(C[C@@H]2CCCO2)cc1Cl ZINC000091329762 384118268 /nfs/dbraw/zinc/11/82/68/384118268.db2.gz RDKLFBPLYAQXNR-LURJTMIESA-N -1 3 230.651 0.369 20 0 BCADHM COc1nnc(NC(=O)Cc2ccoc2)[n-]1 ZINC000185911257 134396665 /nfs/dbraw/zinc/39/66/65/134396665.db2.gz AAFUVVHAPCDWGM-UHFFFAOYSA-N -1 3 222.204 0.588 20 0 BCADHM COc1nc(NC(=O)Cc2ccoc2)n[n-]1 ZINC000185911257 134396667 /nfs/dbraw/zinc/39/66/67/134396667.db2.gz AAFUVVHAPCDWGM-UHFFFAOYSA-N -1 3 222.204 0.588 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2ccoc2)n1 ZINC000185911257 134396669 /nfs/dbraw/zinc/39/66/69/134396669.db2.gz AAFUVVHAPCDWGM-UHFFFAOYSA-N -1 3 222.204 0.588 20 0 BCADHM CCCCC(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000118662640 384206156 /nfs/dbraw/zinc/20/61/56/384206156.db2.gz NZEHYLMLTUFOSS-UHFFFAOYSA-N -1 3 240.263 0.649 20 0 BCADHM CCCCC(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000118662640 384206165 /nfs/dbraw/zinc/20/61/65/384206165.db2.gz NZEHYLMLTUFOSS-UHFFFAOYSA-N -1 3 240.263 0.649 20 0 BCADHM CCCCC(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000118662640 384206170 /nfs/dbraw/zinc/20/61/70/384206170.db2.gz NZEHYLMLTUFOSS-UHFFFAOYSA-N -1 3 240.263 0.649 20 0 BCADHM COCCNC(=O)c1ccc([O-])c(OC)c1 ZINC000082265669 384225610 /nfs/dbraw/zinc/22/56/10/384225610.db2.gz WITWABAPWMEAMJ-UHFFFAOYSA-N -1 3 225.244 0.777 20 0 BCADHM Cc1cc(C(=O)N2CC(=O)N[C@H](C)C2)ccc1[O-] ZINC000297150070 384265060 /nfs/dbraw/zinc/26/50/60/384265060.db2.gz VJBUIRKPOYJLIE-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM Cc1cnc(CN=c2ncnc3[nH][n-]cc2-3)o1 ZINC000426889620 384304092 /nfs/dbraw/zinc/30/40/92/384304092.db2.gz GNJRALRUHOAVTK-UHFFFAOYSA-N -1 3 230.231 0.635 20 0 BCADHM Cc1ccc(CC(=O)[N-]OCC(N)=O)cc1 ZINC000119947835 384319158 /nfs/dbraw/zinc/31/91/58/384319158.db2.gz JWBMPWFMQRHPIM-UHFFFAOYSA-N -1 3 222.244 0.071 20 0 BCADHM CCO[N-]C(=O)[C@@](C)(N)c1ccccc1 ZINC000083116604 384281791 /nfs/dbraw/zinc/28/17/91/384281791.db2.gz FSWYZZOEAOQZGS-NSHDSACASA-N -1 3 208.261 0.928 20 0 BCADHM CCO[N-]C(=O)[C@@H](N)Cc1ccccc1 ZINC000083116599 384281979 /nfs/dbraw/zinc/28/19/79/384281979.db2.gz DJLMUQPWGDQDQA-JTQLQIEISA-N -1 3 208.261 0.624 20 0 BCADHM CCO[N-]C(=O)[C@](C)(N)c1ccccc1 ZINC000083116603 384282347 /nfs/dbraw/zinc/28/23/47/384282347.db2.gz FSWYZZOEAOQZGS-LLVKDONJSA-N -1 3 208.261 0.928 20 0 BCADHM COC(=O)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000179412790 384290629 /nfs/dbraw/zinc/29/06/29/384290629.db2.gz HGMKYBAZATWQKF-NSCUHMNNSA-N -1 3 236.227 0.090 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)CCO ZINC000120274916 384344543 /nfs/dbraw/zinc/34/45/43/384344543.db2.gz ZJJXAYPUAGJJEZ-LURJTMIESA-N -1 3 248.304 0.341 20 0 BCADHM CC[C@@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000075940511 384346799 /nfs/dbraw/zinc/34/67/99/384346799.db2.gz XTLTUXOVHHMPFW-SSDOTTSWSA-N -1 3 217.294 0.497 20 0 BCADHM Cn1nncc1C[N-]c1nc(C2CC2)no1 ZINC000134444223 384358120 /nfs/dbraw/zinc/35/81/20/384358120.db2.gz GXZMFOBINABBLZ-UHFFFAOYSA-N -1 3 220.236 0.688 20 0 BCADHM O=S(=O)([N-]CCO)c1cc(F)cc(F)c1 ZINC000035610784 384415368 /nfs/dbraw/zinc/41/53/68/384415368.db2.gz WHQQHUIYZYNNRO-UHFFFAOYSA-N -1 3 237.227 0.235 20 0 BCADHM C[C@@H]1CCCN(CC(=O)Nc2nnn[n-]2)[C@H]1C ZINC000556810665 384497860 /nfs/dbraw/zinc/49/78/60/384497860.db2.gz NVYPHLCGVPKXEJ-SFYZADRCSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@@H]1CCCN(CC(=O)Nc2nn[n-]n2)[C@H]1C ZINC000556810665 384497865 /nfs/dbraw/zinc/49/78/65/384497865.db2.gz NVYPHLCGVPKXEJ-SFYZADRCSA-N -1 3 238.295 0.259 20 0 BCADHM CC(C)(O)C[N-]S(=O)(=O)c1cscn1 ZINC000569600494 384502121 /nfs/dbraw/zinc/50/21/21/384502121.db2.gz RWTCPRMQWCENPW-UHFFFAOYSA-N -1 3 236.318 0.192 20 0 BCADHM NC(=O)C1(NC(=O)c2ccccc2[O-])CC1 ZINC000150740681 384513226 /nfs/dbraw/zinc/51/32/26/384513226.db2.gz ZCXUBBJPSRZQRM-UHFFFAOYSA-N -1 3 220.228 0.140 20 0 BCADHM NC(=O)CO[N-]C(=O)/C=C/c1ccc(F)cc1 ZINC000181530926 384519357 /nfs/dbraw/zinc/51/93/57/384519357.db2.gz CVJOOEHDKIJUTL-ZZXKWVIFSA-N -1 3 238.218 0.372 20 0 BCADHM COC[C@@H]([N-]S(C)(=O)=O)c1ccc(C)o1 ZINC000080788970 384581286 /nfs/dbraw/zinc/58/12/86/384581286.db2.gz BYMBFPLXTUCNNK-MRVPVSSYSA-N -1 3 233.289 0.825 20 0 BCADHM CN1CC[C@H](NC(=O)c2ccccc2[O-])C1=O ZINC000172550014 384604892 /nfs/dbraw/zinc/60/48/92/384604892.db2.gz ROWFMHSWUQGNBA-VIFPVBQESA-N -1 3 234.255 0.353 20 0 BCADHM CCN(CCO)C(=O)c1cccc([O-])c1 ZINC000037854065 384620289 /nfs/dbraw/zinc/62/02/89/384620289.db2.gz UAOHFJGMFFFPHM-UHFFFAOYSA-N -1 3 209.245 0.847 20 0 BCADHM CCCCCN1CCO[C@@H](C(=O)[O-])C1 ZINC000043704620 384648794 /nfs/dbraw/zinc/64/87/94/384648794.db2.gz AHKRFBRQUOICMT-SECBINFHSA-N -1 3 201.266 0.962 20 0 BCADHM O=C(N[C@H]1CCC(=O)NC1)c1cccc([O-])c1 ZINC000082282517 384659253 /nfs/dbraw/zinc/65/92/53/384659253.db2.gz JYFWHMJZQJHLDA-VIFPVBQESA-N -1 3 234.255 0.401 20 0 BCADHM COc1cc(C(=O)NCCCO)ccc1[O-] ZINC000082292328 384662749 /nfs/dbraw/zinc/66/27/49/384662749.db2.gz KPZRMYMEFKFFET-UHFFFAOYSA-N -1 3 225.244 0.513 20 0 BCADHM CCN(CC)S(=O)(=O)[N-]Cc1noc(C)n1 ZINC000173400116 384679424 /nfs/dbraw/zinc/67/94/24/384679424.db2.gz IMXNNYCPYMAHJM-UHFFFAOYSA-N -1 3 248.308 0.054 20 0 BCADHM CN(CC(=O)NC1CC1)C(=O)c1cccc([O-])c1 ZINC000049826925 384683551 /nfs/dbraw/zinc/68/35/51/384683551.db2.gz XVFCRAGSWNNZOR-UHFFFAOYSA-N -1 3 248.282 0.743 20 0 BCADHM CCc1cc(C(=O)[N-]N2CCCCC2=O)n[nH]1 ZINC000102641788 384718261 /nfs/dbraw/zinc/71/82/61/384718261.db2.gz LFGIRXHOUIHAIV-UHFFFAOYSA-N -1 3 236.275 0.629 20 0 BCADHM C[C@@H](CCc1cccn1C)NC(=O)c1c[n-]nn1 ZINC000174434498 384790768 /nfs/dbraw/zinc/79/07/68/384790768.db2.gz RIOVTMVASIGFJP-VIFPVBQESA-N -1 3 247.302 0.894 20 0 BCADHM C[C@@H](CCc1cccn1C)NC(=O)c1cnn[n-]1 ZINC000174434498 384790774 /nfs/dbraw/zinc/79/07/74/384790774.db2.gz RIOVTMVASIGFJP-VIFPVBQESA-N -1 3 247.302 0.894 20 0 BCADHM C[C@@H](CCc1cccn1C)NC(=O)c1cn[n-]n1 ZINC000174434498 384790778 /nfs/dbraw/zinc/79/07/78/384790778.db2.gz RIOVTMVASIGFJP-VIFPVBQESA-N -1 3 247.302 0.894 20 0 BCADHM C/C(Cl)=C\CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000528430802 384875768 /nfs/dbraw/zinc/87/57/68/384875768.db2.gz UXTPNSJJXWGKSY-LPJHWYKZSA-N -1 3 243.694 0.365 20 0 BCADHM O=S(=O)([N-]CC1COC1)c1ccco1 ZINC000528562934 384881026 /nfs/dbraw/zinc/88/10/26/384881026.db2.gz AANKVGOYXMMQMH-UHFFFAOYSA-N -1 3 217.246 0.204 20 0 BCADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1COCCO1 ZINC000174889188 384844748 /nfs/dbraw/zinc/84/47/48/384844748.db2.gz YSUUEFIYBZCDHD-SNVBAGLBSA-N -1 3 241.218 0.885 20 0 BCADHM Cc1cnc(C(=O)NCCN2CCC2)c([O-])c1 ZINC000427626454 384860783 /nfs/dbraw/zinc/86/07/83/384860783.db2.gz PISMRBZPJGZZSW-UHFFFAOYSA-N -1 3 235.287 0.531 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H](C)C[S@@](C)=O)n1 ZINC000164259014 384949649 /nfs/dbraw/zinc/94/96/49/384949649.db2.gz DMXKZBXDKXRJOS-FVMDXXJSSA-N -1 3 242.344 0.952 20 0 BCADHM CO[C@H](C)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000164026992 384897133 /nfs/dbraw/zinc/89/71/33/384897133.db2.gz KIHNIBDHQSBVST-RXMQYKEDSA-N -1 3 218.640 0.225 20 0 BCADHM C[C@@H](O)CN(C)C(=O)c1cccc([O-])c1 ZINC000051817848 384907048 /nfs/dbraw/zinc/90/70/48/384907048.db2.gz IHGARZRJUTWNIR-MRVPVSSYSA-N -1 3 209.245 0.845 20 0 BCADHM C[C@H]1CN(c2nc3nncc-3c(O)[n-]2)C[C@H](C)O1 ZINC000106461755 384918066 /nfs/dbraw/zinc/91/80/66/384918066.db2.gz HERBOLCMCOQSPA-BQBZGAKWSA-N -1 3 249.274 0.260 20 0 BCADHM CC(C)[C@H]1C[C@H](NC(=O)c2c[n-]nn2)CCO1 ZINC000271753903 384919893 /nfs/dbraw/zinc/91/98/93/384919893.db2.gz ZVPCWPMUZPZDOV-PSASIEDQSA-N -1 3 238.291 0.738 20 0 BCADHM CC(C)[C@H]1C[C@H](NC(=O)c2cnn[n-]2)CCO1 ZINC000271753903 384919898 /nfs/dbraw/zinc/91/98/98/384919898.db2.gz ZVPCWPMUZPZDOV-PSASIEDQSA-N -1 3 238.291 0.738 20 0 BCADHM CC(C)[C@H]1C[C@H](NC(=O)c2cn[n-]n2)CCO1 ZINC000271753903 384919904 /nfs/dbraw/zinc/91/99/04/384919904.db2.gz ZVPCWPMUZPZDOV-PSASIEDQSA-N -1 3 238.291 0.738 20 0 BCADHM CCOC(=O)N[C@@H]1CCCN([C@H](C)C(=O)[O-])C1 ZINC000497300420 384946080 /nfs/dbraw/zinc/94/60/80/384946080.db2.gz WBPKIQBKMQHBBP-RKDXNWHRSA-N -1 3 244.291 0.670 20 0 BCADHM CC=CC=CC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000491873345 384947151 /nfs/dbraw/zinc/94/71/51/384947151.db2.gz SOCHKYWUUUOGJL-POOPIXKXSA-N -1 3 235.287 0.747 20 0 BCADHM O=S(=O)(CC1CCCC1)c1nnc[n-]1 ZINC000086169824 384995344 /nfs/dbraw/zinc/99/53/44/384995344.db2.gz GHOGBKHRMHTXLY-UHFFFAOYSA-N -1 3 215.278 0.769 20 0 BCADHM O=S(=O)(CC1CCCC1)c1ncn[n-]1 ZINC000086169824 384995352 /nfs/dbraw/zinc/99/53/52/384995352.db2.gz GHOGBKHRMHTXLY-UHFFFAOYSA-N -1 3 215.278 0.769 20 0 BCADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CC[C@@H](O)C1 ZINC000646913675 385064279 /nfs/dbraw/zinc/06/42/79/385064279.db2.gz LHPGUBDMPDHNRB-MRVPVSSYSA-N -1 3 247.254 0.475 20 0 BCADHM CN1C[C@@H]2CCN(C(=O)c3cncc([O-])c3)[C@@H]2C1 ZINC000646912036 385065202 /nfs/dbraw/zinc/06/52/02/385065202.db2.gz LUBCZELICLDUSD-JOYOIKCWSA-N -1 3 247.298 0.563 20 0 BCADHM O=S(=O)([N-][C@H]1CCCOC1)c1ccco1 ZINC000188675285 385078596 /nfs/dbraw/zinc/07/85/96/385078596.db2.gz UICCKVXSQJZRIA-QMMMGPOBSA-N -1 3 231.273 0.737 20 0 BCADHM C[C@@H](C[N-]S(=O)(=O)c1ccco1)C[C@H](C)O ZINC000188716665 385082896 /nfs/dbraw/zinc/08/28/96/385082896.db2.gz QGOURFRHDYRVIG-BDAKNGLRSA-N -1 3 247.316 0.965 20 0 BCADHM C[C@@H](CO)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000086628645 385031962 /nfs/dbraw/zinc/03/19/62/385031962.db2.gz RWPDDTIKSVGYDE-SSDOTTSWSA-N -1 3 234.259 0.316 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)[C@@H]1CCCO1 ZINC000088342127 385108093 /nfs/dbraw/zinc/10/80/93/385108093.db2.gz PAVLZKSKDJGECA-SVRRBLITSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)[C@@H]1CCCO1 ZINC000088342127 385108103 /nfs/dbraw/zinc/10/81/03/385108103.db2.gz PAVLZKSKDJGECA-SVRRBLITSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CCCO1 ZINC000088342127 385108107 /nfs/dbraw/zinc/10/81/07/385108107.db2.gz PAVLZKSKDJGECA-SVRRBLITSA-N -1 3 210.237 0.102 20 0 BCADHM Cn1cnnc1[N-]C(=O)COCc1ccccc1 ZINC000188792571 385091603 /nfs/dbraw/zinc/09/16/03/385091603.db2.gz OXNLLMROOMIXLL-UHFFFAOYSA-N -1 3 246.270 0.970 20 0 BCADHM CCN(C)C(=O)C[N-]S(=O)(=O)c1ccco1 ZINC000188861099 385098022 /nfs/dbraw/zinc/09/80/22/385098022.db2.gz WYDBTLSBQXQGAM-UHFFFAOYSA-N -1 3 246.288 0.036 20 0 BCADHM C[C@@H]1C[C@@H]1c1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000516899455 385106737 /nfs/dbraw/zinc/10/67/37/385106737.db2.gz ORUDHKCVQNQNEZ-RITPCOANSA-N -1 3 236.231 0.245 20 0 BCADHM Cc1noc(C)c1C[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000130158685 385224952 /nfs/dbraw/zinc/22/49/52/385224952.db2.gz RMKHYXRNCOGESW-ZCFIWIBFSA-N -1 3 249.274 0.771 20 0 BCADHM Cc1noc(C)c1C[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000130158685 385224957 /nfs/dbraw/zinc/22/49/57/385224957.db2.gz RMKHYXRNCOGESW-ZCFIWIBFSA-N -1 3 249.274 0.771 20 0 BCADHM Cc1noc(C)c1C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000130158685 385224960 /nfs/dbraw/zinc/22/49/60/385224960.db2.gz RMKHYXRNCOGESW-ZCFIWIBFSA-N -1 3 249.274 0.771 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)CCC1CC1 ZINC000308894168 385246906 /nfs/dbraw/zinc/24/69/06/385246906.db2.gz RXGWZSYDSULTDG-SSDOTTSWSA-N -1 3 235.305 0.267 20 0 BCADHM O=S(=O)([N-]CCO)c1ccc(Cl)nc1 ZINC000008514252 385247700 /nfs/dbraw/zinc/24/77/00/385247700.db2.gz ZLPFJGSWQKIUGM-UHFFFAOYSA-N -1 3 236.680 0.006 20 0 BCADHM C[C@@H](NC1CC1)C(=O)Nc1ccncc1[O-] ZINC000569336883 385204962 /nfs/dbraw/zinc/20/49/62/385204962.db2.gz QZTBRTKXWKNGRF-SSDOTTSWSA-N -1 3 221.260 0.288 20 0 BCADHM CO[C@H](C)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000308949774 385312339 /nfs/dbraw/zinc/31/23/39/385312339.db2.gz UPCWKUDQBIBMAX-SSDOTTSWSA-N -1 3 233.293 0.113 20 0 BCADHM C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000166898900 385288591 /nfs/dbraw/zinc/28/85/91/385288591.db2.gz RHBYXAJAXDTIMB-UHFFFAOYSA-N -1 3 233.245 0.283 20 0 BCADHM CCC[C@@H](O)CNC(=O)c1ccc(O)cc1[O-] ZINC000166982034 385291195 /nfs/dbraw/zinc/29/11/95/385291195.db2.gz GIHCEFBIPIZBMR-SECBINFHSA-N -1 3 239.271 0.989 20 0 BCADHM COC(=O)c1cnc(SCCCO)[n-]1 ZINC000193540069 385400537 /nfs/dbraw/zinc/40/05/37/385400537.db2.gz AEAJSQMGOBYBRR-UHFFFAOYSA-N -1 3 216.262 0.671 20 0 BCADHM CC[C@@H]([N-]C(=O)C(C)(F)F)C(=O)OC ZINC000295054458 385410812 /nfs/dbraw/zinc/41/08/12/385410812.db2.gz SVMRASRLGWMJEW-RXMQYKEDSA-N -1 3 209.192 0.709 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)C[C@@H](C)O)n1 ZINC000156360467 385447581 /nfs/dbraw/zinc/44/75/81/385447581.db2.gz WBBXAVMUQLRTIY-MRVPVSSYSA-N -1 3 225.292 0.557 20 0 BCADHM C[C@@]1(O)CCN(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000182079757 385455755 /nfs/dbraw/zinc/45/57/55/385455755.db2.gz KQGMLNMCKWGPFU-YWVDXFKGSA-N -1 3 248.282 0.784 20 0 BCADHM Cc1nc(C)c(CCC(=O)N[C@H]2C[C@H]2C)c(=O)[n-]1 ZINC000171060505 385466138 /nfs/dbraw/zinc/46/61/38/385466138.db2.gz QYDNUSQASCVCFS-HQJQHLMTSA-N -1 3 249.314 0.844 20 0 BCADHM Cc1nnc([N-]CC(=O)NC(C)(C)C)o1 ZINC000309239833 385496194 /nfs/dbraw/zinc/49/61/94/385496194.db2.gz YETRGFOINASPSR-UHFFFAOYSA-N -1 3 212.253 0.705 20 0 BCADHM CCN(CC)CC(=O)N(C)CCCC(=O)[O-] ZINC000309343735 385542291 /nfs/dbraw/zinc/54/22/91/385542291.db2.gz LBIMOMWWUZLIOV-UHFFFAOYSA-N -1 3 230.308 0.651 20 0 BCADHM C[C@@H]1[C@@H](NC(=O)c2cncc([O-])c2)CCCN1C ZINC000354621036 385597324 /nfs/dbraw/zinc/59/73/24/385597324.db2.gz NNPQKGMTUAJLOR-SKDRFNHKSA-N -1 3 249.314 1.000 20 0 BCADHM CS(=O)(=O)CC(=O)Nc1ccc([O-])cc1F ZINC000082879391 385603139 /nfs/dbraw/zinc/60/31/39/385603139.db2.gz RMKRUJALDNLIMC-UHFFFAOYSA-N -1 3 247.247 0.514 20 0 BCADHM C[C@@H]1C[C@H](C(=O)Nc2ncccc2[O-])CC(=O)N1 ZINC000408162575 385581324 /nfs/dbraw/zinc/58/13/24/385581324.db2.gz XOAQVIQIFKGVEI-SFYZADRCSA-N -1 3 249.270 0.640 20 0 BCADHM CO[C@H](C)CSc1nc2n[nH]cc2c(=O)[n-]1 ZINC000181567825 385584095 /nfs/dbraw/zinc/58/40/95/385584095.db2.gz OLZKKZXZOAHBTP-RXMQYKEDSA-N -1 3 240.288 0.773 20 0 BCADHM C[C@H]1[C@H](C)N(C(=O)c2cncc([O-])c2)CCN1C ZINC000340005080 385661345 /nfs/dbraw/zinc/66/13/45/385661345.db2.gz JAOQNXZHNRHGKC-UWVGGRQHSA-N -1 3 249.314 0.952 20 0 BCADHM C[C@@H]1[C@@H](C)CN1Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000645218071 385680265 /nfs/dbraw/zinc/68/02/65/385680265.db2.gz BJGJEJJTPVJJFT-JGVFFNPUSA-N -1 3 247.302 0.909 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)n1 ZINC000335483445 385714675 /nfs/dbraw/zinc/71/46/75/385714675.db2.gz FWIYFLRYZNEFIS-QMMMGPOBSA-N -1 3 243.332 0.745 20 0 BCADHM C[C@](O)(CN=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000337631204 385730512 /nfs/dbraw/zinc/73/05/12/385730512.db2.gz YBNXKKNQVOMKPS-NSHDSACASA-N -1 3 233.275 0.299 20 0 BCADHM CC(C)(C)n1ncnc1C[N-]C(=O)C(F)F ZINC000282118166 385734802 /nfs/dbraw/zinc/73/48/02/385734802.db2.gz LLQBSVUSWHAPPK-UHFFFAOYSA-N -1 3 232.234 0.914 20 0 BCADHM CC[C@H](O)CCCN=c1ncnc2[nH][n-]cc1-2 ZINC000337602427 385726287 /nfs/dbraw/zinc/72/62/87/385726287.db2.gz KIRJAULXWVLZTR-QMMMGPOBSA-N -1 3 235.291 0.689 20 0 BCADHM CCN(C(=O)c1ccccc1[O-])[C@@H]1CCNC1=O ZINC000282996072 385803502 /nfs/dbraw/zinc/80/35/02/385803502.db2.gz LTODBEMTTXPTNF-SNVBAGLBSA-N -1 3 248.282 0.743 20 0 BCADHM Cc1cc(C(=O)N2C[C@@H](C)[C@H]2C)[n-]c(=O)n1 ZINC000294111863 385807824 /nfs/dbraw/zinc/80/78/24/385807824.db2.gz NADLDIHESXRDSY-HTRCEHHLSA-N -1 3 221.260 0.971 20 0 BCADHM CCC1(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CCC1 ZINC000271438858 385828202 /nfs/dbraw/zinc/82/82/02/385828202.db2.gz PLHITMKICDIVGS-ZETCQYMHSA-N -1 3 239.275 0.033 20 0 BCADHM OC[C@@H]1CCC[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000413615565 385845421 /nfs/dbraw/zinc/84/54/21/385845421.db2.gz RPVOVDOXIVKEBV-BDAKNGLRSA-N -1 3 247.302 0.689 20 0 BCADHM Cc1cnc(Cn2cc(Cl)c(=O)[n-]c2=O)o1 ZINC000335811881 385887140 /nfs/dbraw/zinc/88/71/40/385887140.db2.gz LEXVHCWFQDOJTE-UHFFFAOYSA-N -1 3 241.634 0.947 20 0 BCADHM C[C@H]1OC(=O)N[C@H]1C(=O)Nc1ncccc1[O-] ZINC000496568490 385928207 /nfs/dbraw/zinc/92/82/07/385928207.db2.gz HGPILUVOMSJBSK-IYSWYEEDSA-N -1 3 237.215 0.223 20 0 BCADHM Cc1cc(C(=O)N[C@H](CO)C(C)C)[n-]c(=O)n1 ZINC000272197975 385882885 /nfs/dbraw/zinc/88/28/85/385882885.db2.gz OYGHNTOUKDWERG-SECBINFHSA-N -1 3 239.275 0.237 20 0 BCADHM CCC[C@@](C)(O)C(=O)[N-]c1nncn1CC ZINC000286014996 385987196 /nfs/dbraw/zinc/98/71/96/385987196.db2.gz ZEUOTJLJKYUOAF-SNVBAGLBSA-N -1 3 226.280 0.788 20 0 BCADHM O=C([N-]c1nncn1C1CC1)c1cnsn1 ZINC000286028227 385989483 /nfs/dbraw/zinc/98/94/83/385989483.db2.gz ZZSBRKYPWOTYCX-UHFFFAOYSA-N -1 3 236.260 0.717 20 0 BCADHM C[C@]1(C(=O)Nc2ncccc2[O-])CCCNC1=O ZINC000365207610 385955963 /nfs/dbraw/zinc/95/59/63/385955963.db2.gz XNKFNEMHSZLKDD-LBPRGKRZSA-N -1 3 249.270 0.642 20 0 BCADHM CSCC[C@H](O)C(=O)Nc1ncccc1[O-] ZINC000273071545 385965990 /nfs/dbraw/zinc/96/59/90/385965990.db2.gz KWAFVVHBFPBDLV-QMMMGPOBSA-N -1 3 242.300 0.840 20 0 BCADHM Cc1ncc(CNC(=O)[C@H]2CCOC2)c(=O)[n-]1 ZINC000345101486 385997619 /nfs/dbraw/zinc/99/76/19/385997619.db2.gz DXZVRLAADOJHHI-QMMMGPOBSA-N -1 3 237.259 0.143 20 0 BCADHM CSCCC(=O)NCc1cnc(C)[n-]c1=O ZINC000345138750 386006141 /nfs/dbraw/zinc/00/61/41/386006141.db2.gz YMJPAZIWNUZUAG-UHFFFAOYSA-N -1 3 241.316 0.860 20 0 BCADHM Cc1ccc([O-])c(NC(=O)CS(C)(=O)=O)n1 ZINC000273529375 386009045 /nfs/dbraw/zinc/00/90/45/386009045.db2.gz RNGANNWPCQEIDZ-UHFFFAOYSA-N -1 3 244.272 0.079 20 0 BCADHM Cc1ccc([O-])c(NC(=O)CN2CCCC2=O)n1 ZINC000273515491 386009248 /nfs/dbraw/zinc/00/92/48/386009248.db2.gz PUVMWOMYRRYMCT-UHFFFAOYSA-N -1 3 249.270 0.657 20 0 BCADHM Cc1ncc(CNC(=O)c2ccnnc2)c(=O)[n-]1 ZINC000345120300 386023249 /nfs/dbraw/zinc/02/32/49/386023249.db2.gz HBIBPXXJTPGWLO-UHFFFAOYSA-N -1 3 245.242 0.211 20 0 BCADHM CC(C)=CCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000295421125 386028822 /nfs/dbraw/zinc/02/88/22/386028822.db2.gz UFMCTFLKCMQOLT-MRVPVSSYSA-N -1 3 232.305 0.360 20 0 BCADHM CC(C)=CCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000295421129 386029421 /nfs/dbraw/zinc/02/94/21/386029421.db2.gz UFMCTFLKCMQOLT-QMMMGPOBSA-N -1 3 232.305 0.360 20 0 BCADHM NS(=O)(=O)Nc1cccc(F)c1[O-] ZINC000575562986 386032931 /nfs/dbraw/zinc/03/29/31/386032931.db2.gz PNTQAGGEILUMIQ-UHFFFAOYSA-N -1 3 206.198 0.147 20 0 BCADHM CS[C@@H](C)C(=O)NCc1cnc(C)[n-]c1=O ZINC000345106536 385996174 /nfs/dbraw/zinc/99/61/74/385996174.db2.gz XBLGJTGYOADPSI-LURJTMIESA-N -1 3 241.316 0.858 20 0 BCADHM Cc1cc(CS(=O)(=O)[N-][C@H]2CCOC2)on1 ZINC000345315822 386104266 /nfs/dbraw/zinc/10/42/66/386104266.db2.gz XBQXIDLIVUHJEC-QMMMGPOBSA-N -1 3 246.288 0.191 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@H]2CCC2(C)C)c1 ZINC000286605367 386058582 /nfs/dbraw/zinc/05/85/82/386058582.db2.gz HGLCYDNKMXLYOE-QMMMGPOBSA-N -1 3 243.332 0.887 20 0 BCADHM C[C@@H](O)CCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000425439501 386064829 /nfs/dbraw/zinc/06/48/29/386064829.db2.gz AOARENQSPNGVFQ-BDAKNGLRSA-N -1 3 240.307 0.461 20 0 BCADHM C[C@H](O)CCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000425439504 386067472 /nfs/dbraw/zinc/06/74/72/386067472.db2.gz AOARENQSPNGVFQ-IUCAKERBSA-N -1 3 240.307 0.461 20 0 BCADHM CO[C@H](CC(C)C)C(=O)[N-]c1nncn1C ZINC000415457396 386078465 /nfs/dbraw/zinc/07/84/65/386078465.db2.gz LAQYSFFMLVPGBH-MRVPVSSYSA-N -1 3 226.280 0.815 20 0 BCADHM COC[C@H](CO)NC(=O)c1cccc(C)c1[O-] ZINC000234765282 386095987 /nfs/dbraw/zinc/09/59/87/386095987.db2.gz QFFZKEPHJXCSLQ-VIFPVBQESA-N -1 3 239.271 0.438 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cn(C)cn1 ZINC000190172524 386157925 /nfs/dbraw/zinc/15/79/25/386157925.db2.gz GRQOOWGWIXZEJW-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM CSc1nnc(NC(=O)c2cc(C)[nH]n2)[n-]1 ZINC000263860845 386186067 /nfs/dbraw/zinc/18/60/67/386186067.db2.gz HWPUKFCPOIKODD-UHFFFAOYSA-N -1 3 238.276 0.810 20 0 BCADHM CSc1n[n-]c(NC(=O)c2cc(C)[nH]n2)n1 ZINC000263860845 386186071 /nfs/dbraw/zinc/18/60/71/386186071.db2.gz HWPUKFCPOIKODD-UHFFFAOYSA-N -1 3 238.276 0.810 20 0 BCADHM CSc1nc(NC(=O)c2cc(C)[nH]n2)n[n-]1 ZINC000263860845 386186074 /nfs/dbraw/zinc/18/60/74/386186074.db2.gz HWPUKFCPOIKODD-UHFFFAOYSA-N -1 3 238.276 0.810 20 0 BCADHM C[C@H](CN(C)c1ncc(F)cn1)c1nnn[n-]1 ZINC000129850826 386131134 /nfs/dbraw/zinc/13/11/34/386131134.db2.gz CLVYECBKDHURKK-ZCFIWIBFSA-N -1 3 237.242 0.369 20 0 BCADHM C[C@H](CN(C)c1ncc(F)cn1)c1nn[n-]n1 ZINC000129850826 386131135 /nfs/dbraw/zinc/13/11/35/386131135.db2.gz CLVYECBKDHURKK-ZCFIWIBFSA-N -1 3 237.242 0.369 20 0 BCADHM CN(C)C1CN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000288557926 386215247 /nfs/dbraw/zinc/21/52/47/386215247.db2.gz QUMQEYLIMWBUIL-UHFFFAOYSA-N -1 3 248.282 0.347 20 0 BCADHM CO[C@@H](C)CC[N-]S(=O)(=O)c1ccco1 ZINC000275499252 386217004 /nfs/dbraw/zinc/21/70/04/386217004.db2.gz QUALLXZTLBZTHR-QMMMGPOBSA-N -1 3 233.289 0.983 20 0 BCADHM CC(C)[C@H](N)C(=O)Nc1ncccc1[O-] ZINC000125055228 386217061 /nfs/dbraw/zinc/21/70/61/386217061.db2.gz FTHAKBQYWYTNLG-QMMMGPOBSA-N -1 3 209.249 0.709 20 0 BCADHM C[C@H]([N-]C(=O)C(C)(F)F)C(=O)N(C)C ZINC000288640741 386222526 /nfs/dbraw/zinc/22/25/26/386222526.db2.gz UKQLINDHDDPQAF-YFKPBYRVSA-N -1 3 208.208 0.235 20 0 BCADHM CO[C@H](CNC(=O)c1c[n-]nn1)CC(C)C ZINC000416264016 386249061 /nfs/dbraw/zinc/24/90/61/386249061.db2.gz STHCUODVEVVRHR-QMMMGPOBSA-N -1 3 226.280 0.596 20 0 BCADHM CO[C@H](CNC(=O)c1cnn[n-]1)CC(C)C ZINC000416264016 386249066 /nfs/dbraw/zinc/24/90/66/386249066.db2.gz STHCUODVEVVRHR-QMMMGPOBSA-N -1 3 226.280 0.596 20 0 BCADHM CO[C@H](CNC(=O)c1cn[n-]n1)CC(C)C ZINC000416264016 386249070 /nfs/dbraw/zinc/24/90/70/386249070.db2.gz STHCUODVEVVRHR-QMMMGPOBSA-N -1 3 226.280 0.596 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3CCO[C@@H]3C3CC3)c1-2 ZINC000340569238 386257573 /nfs/dbraw/zinc/25/75/73/386257573.db2.gz FCBAHNYAAYYGAK-NXEZZACHSA-N -1 3 245.286 0.706 20 0 BCADHM Cn1cnc(C(=O)[N-]c2nc3ccccn3n2)n1 ZINC000355555362 386193400 /nfs/dbraw/zinc/19/34/00/386193400.db2.gz CRHDPMMUPXYVIR-UHFFFAOYSA-N -1 3 243.230 0.110 20 0 BCADHM Cc1csc(NC(=O)c2nc[n-]n2)n1 ZINC000087441700 386286391 /nfs/dbraw/zinc/28/63/91/386286391.db2.gz UXXJIXZAYGRSIP-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM COC(=O)c1cc(CNC2(C(=O)[O-])CC2)c[nH]1 ZINC000417538925 386314544 /nfs/dbraw/zinc/31/45/44/386314544.db2.gz UQNFRVGJWWQMFS-UHFFFAOYSA-N -1 3 238.243 0.508 20 0 BCADHM CO[C@H](C)C(=O)[N-]c1ncnn1-c1ccccc1 ZINC000339164084 386268967 /nfs/dbraw/zinc/26/89/67/386268967.db2.gz GJYYEFJGRMHHSC-SECBINFHSA-N -1 3 246.270 0.663 20 0 BCADHM CCc1ccc(C(=O)N(C)CC(N)=O)c([O-])c1 ZINC000276107083 386272982 /nfs/dbraw/zinc/27/29/82/386272982.db2.gz VAFXAUGSDLJZHL-UHFFFAOYSA-N -1 3 236.271 0.512 20 0 BCADHM CC[C@@H](C)CC(=O)Nc1[n-]nnc1C(N)=O ZINC000297691670 386273900 /nfs/dbraw/zinc/27/39/00/386273900.db2.gz HQGLYVWWJMSJPG-RXMQYKEDSA-N -1 3 225.252 0.278 20 0 BCADHM CC[C@@H](C)CC(=O)Nc1nn[n-]c1C(N)=O ZINC000297691670 386273902 /nfs/dbraw/zinc/27/39/02/386273902.db2.gz HQGLYVWWJMSJPG-RXMQYKEDSA-N -1 3 225.252 0.278 20 0 BCADHM CC[C@@H](C)CC(=O)Nc1n[n-]nc1C(N)=O ZINC000297691670 386273906 /nfs/dbraw/zinc/27/39/06/386273906.db2.gz HQGLYVWWJMSJPG-RXMQYKEDSA-N -1 3 225.252 0.278 20 0 BCADHM CCN(CC)S(=O)(=O)[N-]c1cnn(CC)c1 ZINC000264862337 386278900 /nfs/dbraw/zinc/27/89/00/386278900.db2.gz OFRONZFQAFDQFQ-UHFFFAOYSA-N -1 3 246.336 0.902 20 0 BCADHM CCS(=O)(=O)[N-][C@@H](CC1CC1)C(=O)OC ZINC000416589569 386342269 /nfs/dbraw/zinc/34/22/69/386342269.db2.gz RRTROWNLBHSWME-QMMMGPOBSA-N -1 3 235.305 0.267 20 0 BCADHM O=C([N-][C@H]1CCC(=O)NC1)C(F)(F)C(F)F ZINC000226624587 386348803 /nfs/dbraw/zinc/34/88/03/386348803.db2.gz SCQJHRHJOCURFY-BYPYZUCNSA-N -1 3 242.172 0.282 20 0 BCADHM C[C@@H](C1CC1)N(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC000347377598 386373738 /nfs/dbraw/zinc/37/37/38/386373738.db2.gz DDNFGULLVCTZFR-QMMMGPOBSA-N -1 3 236.319 0.871 20 0 BCADHM CC(C)[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000347391776 386379548 /nfs/dbraw/zinc/37/95/48/386379548.db2.gz JQSWQBGLHOYMJC-MRVPVSSYSA-N -1 3 212.297 0.585 20 0 BCADHM CCCCN(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC000347395479 386383069 /nfs/dbraw/zinc/38/30/69/386383069.db2.gz SCGCFALDCIQWMD-UHFFFAOYSA-N -1 3 224.308 0.873 20 0 BCADHM CCCC(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000265413129 386335625 /nfs/dbraw/zinc/33/56/25/386335625.db2.gz CROPLSFAYKCHDY-UHFFFAOYSA-N -1 3 226.236 0.259 20 0 BCADHM CCCC(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000265413129 386335628 /nfs/dbraw/zinc/33/56/28/386335628.db2.gz CROPLSFAYKCHDY-UHFFFAOYSA-N -1 3 226.236 0.259 20 0 BCADHM CCCC(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000265413129 386335631 /nfs/dbraw/zinc/33/56/31/386335631.db2.gz CROPLSFAYKCHDY-UHFFFAOYSA-N -1 3 226.236 0.259 20 0 BCADHM Cn1cnnc1NC(=O)c1cccc2nn[n-]c21 ZINC000527364200 386438017 /nfs/dbraw/zinc/43/80/17/386438017.db2.gz OISSQQGYAOMVLB-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM Cn1cnnc1NC(=O)c1cccc2[n-]nnc21 ZINC000527364200 386438020 /nfs/dbraw/zinc/43/80/20/386438020.db2.gz OISSQQGYAOMVLB-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM Cn1cnnc1NC(=O)c1cccc2n[n-]nc21 ZINC000527364200 386438022 /nfs/dbraw/zinc/43/80/22/386438022.db2.gz OISSQQGYAOMVLB-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM CC[C@H](CSC)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000347547706 386447449 /nfs/dbraw/zinc/44/74/49/386447449.db2.gz XVYLRUANTFSDNP-MRVPVSSYSA-N -1 3 244.364 0.682 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@@H](O)C[C@H]2C)n1 ZINC000336720093 386451090 /nfs/dbraw/zinc/45/10/90/386451090.db2.gz YAOFEFSUYGOJTP-SCZZXKLOSA-N -1 3 237.303 0.700 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)[C@@H](O)c1ccccc1 ZINC000290100721 386392961 /nfs/dbraw/zinc/39/29/61/386392961.db2.gz KZRPIHZOHWFZSO-GZMMTYOYSA-N -1 3 246.270 0.657 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)[C@@H](O)c1ccccc1 ZINC000290100721 386392965 /nfs/dbraw/zinc/39/29/65/386392965.db2.gz KZRPIHZOHWFZSO-GZMMTYOYSA-N -1 3 246.270 0.657 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H](O)c1ccccc1 ZINC000290100721 386392970 /nfs/dbraw/zinc/39/29/70/386392970.db2.gz KZRPIHZOHWFZSO-GZMMTYOYSA-N -1 3 246.270 0.657 20 0 BCADHM Cc1ccc([C@@H](O)CNC(=O)c2c[n-]nn2)o1 ZINC000266046466 386394396 /nfs/dbraw/zinc/39/43/96/386394396.db2.gz YBRQKBLFJGEMCW-QMMMGPOBSA-N -1 3 236.231 0.170 20 0 BCADHM Cc1ccc([C@@H](O)CNC(=O)c2cnn[n-]2)o1 ZINC000266046466 386394397 /nfs/dbraw/zinc/39/43/97/386394397.db2.gz YBRQKBLFJGEMCW-QMMMGPOBSA-N -1 3 236.231 0.170 20 0 BCADHM Cc1ccc([C@@H](O)CNC(=O)c2cn[n-]n2)o1 ZINC000266046466 386394405 /nfs/dbraw/zinc/39/44/05/386394405.db2.gz YBRQKBLFJGEMCW-QMMMGPOBSA-N -1 3 236.231 0.170 20 0 BCADHM CO[C@H]1CCCC[C@H]1NC(=O)c1c[n-]nn1 ZINC000266148198 386402695 /nfs/dbraw/zinc/40/26/95/386402695.db2.gz MVRNMDMMWLXECK-APPZFPTMSA-N -1 3 224.264 0.492 20 0 BCADHM CO[C@H]1CCCC[C@H]1NC(=O)c1cnn[n-]1 ZINC000266148198 386402698 /nfs/dbraw/zinc/40/26/98/386402698.db2.gz MVRNMDMMWLXECK-APPZFPTMSA-N -1 3 224.264 0.492 20 0 BCADHM CO[C@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC000266148198 386402701 /nfs/dbraw/zinc/40/27/01/386402701.db2.gz MVRNMDMMWLXECK-APPZFPTMSA-N -1 3 224.264 0.492 20 0 BCADHM O=C([O-])[C@]1(NCc2cncnc2)CCSC1 ZINC000417581655 386410794 /nfs/dbraw/zinc/41/07/94/386410794.db2.gz UCWXUALGSLHEDR-JTQLQIEISA-N -1 3 239.300 0.527 20 0 BCADHM CCCCN(CCOC)Cc1nc(=O)n(C)[n-]1 ZINC000347460662 386412331 /nfs/dbraw/zinc/41/23/31/386412331.db2.gz HOAUCRMAGNCNAH-UHFFFAOYSA-N -1 3 242.323 0.357 20 0 BCADHM C=Cn1cc(CN[C@](C)(COC)C(=O)[O-])cn1 ZINC000417595185 386424711 /nfs/dbraw/zinc/42/47/11/386424711.db2.gz XMUSPYKNVFNJPK-LLVKDONJSA-N -1 3 239.275 0.563 20 0 BCADHM CCN(CC)CC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000519400816 386430068 /nfs/dbraw/zinc/43/00/68/386430068.db2.gz QTLYMYHTMDFSLU-VIFPVBQESA-N -1 3 230.308 0.507 20 0 BCADHM Cn1cnc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)n1 ZINC000290810230 386478952 /nfs/dbraw/zinc/47/89/52/386478952.db2.gz VHCMFXNYZGYPLT-UHFFFAOYSA-N -1 3 247.262 0.453 20 0 BCADHM CCON=C([O-])Nc1cc(C(=O)OC)ccn1 ZINC000278115722 386491636 /nfs/dbraw/zinc/49/16/36/386491636.db2.gz SCUOOPOYWQGIDJ-UHFFFAOYSA-N -1 3 239.231 0.941 20 0 BCADHM CCO[N-]C(=O)Nc1cc(C(=O)OC)ccn1 ZINC000278115722 386491642 /nfs/dbraw/zinc/49/16/42/386491642.db2.gz SCUOOPOYWQGIDJ-UHFFFAOYSA-N -1 3 239.231 0.941 20 0 BCADHM CC[C@H](CNc1nc2nncc-2c(O)[n-]1)OC ZINC000290605778 386459826 /nfs/dbraw/zinc/45/98/26/386459826.db2.gz FGGLBUSTRPCNOY-ZCFIWIBFSA-N -1 3 237.263 0.895 20 0 BCADHM CCN1C[C@H](NCc2nc(C)ccc2[O-])CC1=O ZINC000391594496 386463090 /nfs/dbraw/zinc/46/30/90/386463090.db2.gz GUNNNIDPBOTZBG-SNVBAGLBSA-N -1 3 249.314 0.806 20 0 BCADHM CCc1c(C(=O)Nc2nnc(OC)[n-]2)ccn1C ZINC000291798559 386585618 /nfs/dbraw/zinc/58/56/18/386585618.db2.gz ZCPXYINMEKFQKY-UHFFFAOYSA-N -1 3 249.274 0.967 20 0 BCADHM CCc1c(C(=O)Nc2n[n-]c(OC)n2)ccn1C ZINC000291798559 386585627 /nfs/dbraw/zinc/58/56/27/386585627.db2.gz ZCPXYINMEKFQKY-UHFFFAOYSA-N -1 3 249.274 0.967 20 0 BCADHM CCc1c(C(=O)Nc2nc(OC)n[n-]2)ccn1C ZINC000291798559 386585632 /nfs/dbraw/zinc/58/56/32/386585632.db2.gz ZCPXYINMEKFQKY-UHFFFAOYSA-N -1 3 249.274 0.967 20 0 BCADHM CC(C)(C)CC(=O)Nc1[n-]nnc1C(N)=O ZINC000291381843 386538505 /nfs/dbraw/zinc/53/85/05/386538505.db2.gz BCFKIIQSKLFMER-UHFFFAOYSA-N -1 3 225.252 0.278 20 0 BCADHM CC(C)(C)CC(=O)Nc1nn[n-]c1C(N)=O ZINC000291381843 386538512 /nfs/dbraw/zinc/53/85/12/386538512.db2.gz BCFKIIQSKLFMER-UHFFFAOYSA-N -1 3 225.252 0.278 20 0 BCADHM CC(C)(C)CC(=O)Nc1n[n-]nc1C(N)=O ZINC000291381843 386538519 /nfs/dbraw/zinc/53/85/19/386538519.db2.gz BCFKIIQSKLFMER-UHFFFAOYSA-N -1 3 225.252 0.278 20 0 BCADHM CCc1cc(C(=O)N[C@H](C)C(N)=O)ccc1[O-] ZINC000291506067 386551470 /nfs/dbraw/zinc/55/14/70/386551470.db2.gz WKBBOFYNOIXSEB-SSDOTTSWSA-N -1 3 236.271 0.558 20 0 BCADHM C[C@@H](CCO)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000123628289 386557297 /nfs/dbraw/zinc/55/72/97/386557297.db2.gz QEBZCGIXKIHRPM-ZETCQYMHSA-N -1 3 248.279 0.270 20 0 BCADHM C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ncccc1[O-] ZINC000519793688 386557827 /nfs/dbraw/zinc/55/78/27/386557827.db2.gz RJAGLKBVDSTKGC-DTWKUNHWSA-N -1 3 208.261 0.742 20 0 BCADHM C[C@H]1C[C@@H](O)CN1Cc1ncccc1[O-] ZINC000519793688 386557839 /nfs/dbraw/zinc/55/78/39/386557839.db2.gz RJAGLKBVDSTKGC-DTWKUNHWSA-N -1 3 208.261 0.742 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1ccn(C)n1)C1CC1 ZINC000335403372 386558352 /nfs/dbraw/zinc/55/83/52/386558352.db2.gz OHTTVKOHNUVSJF-ZETCQYMHSA-N -1 3 229.305 0.497 20 0 BCADHM CCC1([N-]S(=O)(=O)c2ccn(C)n2)CC1 ZINC000335404070 386560724 /nfs/dbraw/zinc/56/07/24/386560724.db2.gz RSDCBWAWISYEMI-UHFFFAOYSA-N -1 3 229.305 0.641 20 0 BCADHM C[C@H]1C[C@@H](C(=O)Nc2ccncc2[O-])CO1 ZINC000408423179 386570831 /nfs/dbraw/zinc/57/08/31/386570831.db2.gz WVBHQWVFMXBUBN-JGVFFNPUSA-N -1 3 222.244 0.573 20 0 BCADHM CC(C)(C)[C@@H]([N-]C(=O)C(F)F)C(N)=O ZINC000279059839 386625521 /nfs/dbraw/zinc/62/55/21/386625521.db2.gz PYAKDLCDTLCJIM-BYPYZUCNSA-N -1 3 208.208 0.268 20 0 BCADHM C[C@H](CC(N)=O)C(=O)[N-]OC/C=C/Cl ZINC000292213421 386634767 /nfs/dbraw/zinc/63/47/67/386634767.db2.gz QAJAHKQVZBLXOB-YRFDSLTASA-N -1 3 220.656 0.298 20 0 BCADHM CCC[C@@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000645429032 386653210 /nfs/dbraw/zinc/65/32/10/386653210.db2.gz LZPWKQHMXVJGOZ-MRVPVSSYSA-N -1 3 231.321 0.887 20 0 BCADHM CN(c1nc2[nH][n-]cc-2c(=N)n1)[C@H]1CCC[C@H]1O ZINC000343246256 386601124 /nfs/dbraw/zinc/60/11/24/386601124.db2.gz DQRJNFYAKHDXPB-JGVFFNPUSA-N -1 3 248.290 0.067 20 0 BCADHM CCc1cc(C(=O)NCCC(N)=O)ccc1[O-] ZINC000291938508 386602117 /nfs/dbraw/zinc/60/21/17/386602117.db2.gz NCTPYBXNXCPIKI-UHFFFAOYSA-N -1 3 236.271 0.560 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC(O)C2)c1 ZINC000062808606 386615549 /nfs/dbraw/zinc/61/55/49/386615549.db2.gz FYDNHOKWMAIIMJ-UHFFFAOYSA-N -1 3 207.229 0.517 20 0 BCADHM C[C@@](O)(C[N-]C(=O)C(F)F)c1ccco1 ZINC000279012448 386617114 /nfs/dbraw/zinc/61/71/14/386617114.db2.gz HVPVFFHSQPPEEN-SECBINFHSA-N -1 3 219.187 0.868 20 0 BCADHM CC[C@@H](CNC(=O)c1cc(C)nc(=O)[n-]1)OC ZINC000292379020 386660263 /nfs/dbraw/zinc/66/02/63/386660263.db2.gz YIABSGPWJSMPMM-QMMMGPOBSA-N -1 3 239.275 0.645 20 0 BCADHM Cc1cc(C(=O)N[C@H]2C[C@H]2C)[n-]c(=O)n1 ZINC000268600207 386668108 /nfs/dbraw/zinc/66/81/08/386668108.db2.gz ALFJVVBKXQDTJU-VDTYLAMSSA-N -1 3 207.233 0.629 20 0 BCADHM COc1nnc(NC(=O)[C@@H](C)N2CC(C)C2)[n-]1 ZINC000520426220 386672472 /nfs/dbraw/zinc/67/24/72/386672472.db2.gz BMLJYNQRFAKRCC-SSDOTTSWSA-N -1 3 239.279 0.092 20 0 BCADHM COc1nc(NC(=O)[C@@H](C)N2CC(C)C2)n[n-]1 ZINC000520426220 386672475 /nfs/dbraw/zinc/67/24/75/386672475.db2.gz BMLJYNQRFAKRCC-SSDOTTSWSA-N -1 3 239.279 0.092 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](C)N2CC(C)C2)n1 ZINC000520426220 386672478 /nfs/dbraw/zinc/67/24/78/386672478.db2.gz BMLJYNQRFAKRCC-SSDOTTSWSA-N -1 3 239.279 0.092 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3ccon3)C[C@H]12 ZINC000329463196 386677522 /nfs/dbraw/zinc/67/75/22/386677522.db2.gz UGLSBNUWUOUGCE-MRVPVSSYSA-N -1 3 236.231 0.251 20 0 BCADHM Cc1cc(C(=O)NC[C@@H]2CCCO2)[n-]c(=O)n1 ZINC000268670200 386679680 /nfs/dbraw/zinc/67/96/80/386679680.db2.gz RYDWEYZCNUHZTQ-QMMMGPOBSA-N -1 3 237.259 0.399 20 0 BCADHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335469596 386687517 /nfs/dbraw/zinc/68/75/17/386687517.db2.gz IWEGMPCLPGOYJN-DTWKUNHWSA-N -1 3 243.332 0.887 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C(C)(C)C2CC2)n1 ZINC000335485420 386714798 /nfs/dbraw/zinc/71/47/98/386714798.db2.gz MZEHVWOYZBKKHL-UHFFFAOYSA-N -1 3 243.332 0.887 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@H]2CC=CCC2)n1 ZINC000335486839 386716915 /nfs/dbraw/zinc/71/69/15/386716915.db2.gz RBWMNLXNDDOTEG-VIFPVBQESA-N -1 3 241.316 0.807 20 0 BCADHM Cn1cc(NC([O-])=NOCC2CC2)cn1 ZINC000292755838 386720278 /nfs/dbraw/zinc/72/02/78/386720278.db2.gz VIDVJYVACZGAEF-UHFFFAOYSA-N -1 3 210.237 0.883 20 0 BCADHM Cn1cc(NC(=O)[N-]OCC2CC2)cn1 ZINC000292755838 386720289 /nfs/dbraw/zinc/72/02/89/386720289.db2.gz VIDVJYVACZGAEF-UHFFFAOYSA-N -1 3 210.237 0.883 20 0 BCADHM COCCNC(=O)c1ccc(O)cc1[O-] ZINC000192886854 386758155 /nfs/dbraw/zinc/75/81/55/386758155.db2.gz TUPBQTXIVAUYCX-UHFFFAOYSA-N -1 3 211.217 0.474 20 0 BCADHM CSCCO[N-]C(=O)CCc1cnn(C)c1 ZINC000280048213 386772921 /nfs/dbraw/zinc/77/29/21/386772921.db2.gz PVBORMODYKONIB-UHFFFAOYSA-N -1 3 243.332 0.764 20 0 BCADHM CCO[N-]C(=O)CCC(=O)c1cnn(C)c1 ZINC000280081275 386774947 /nfs/dbraw/zinc/77/49/47/386774947.db2.gz YJBKQGLMALLPAR-UHFFFAOYSA-N -1 3 225.248 0.451 20 0 BCADHM CSCCO[N-]C(=O)Cc1cnn(C)c1 ZINC000280139091 386779946 /nfs/dbraw/zinc/77/99/46/386779946.db2.gz XCXIUCNSHWSPRF-UHFFFAOYSA-N -1 3 229.305 0.373 20 0 BCADHM C[C@@H]1C[C@H]1CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329950991 386817663 /nfs/dbraw/zinc/81/76/63/386817663.db2.gz MPCRDMJGBFTBMZ-VGMNWLOBSA-N -1 3 223.276 0.719 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)CCC(F)(F)F ZINC000340941266 386802722 /nfs/dbraw/zinc/80/27/22/386802722.db2.gz WXUJGLJGULTMDW-UHFFFAOYSA-N -1 3 249.210 0.031 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC[C@H](C)O)o1 ZINC000330637993 386808891 /nfs/dbraw/zinc/80/88/91/386808891.db2.gz APKLTZRXUOKZOD-ZETCQYMHSA-N -1 3 233.289 0.637 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)C1COC1)c1ccon1 ZINC000330204265 386836055 /nfs/dbraw/zinc/83/60/55/386836055.db2.gz COKTXVFGAMUVFC-ZCFIWIBFSA-N -1 3 232.261 0.054 20 0 BCADHM CN(C)CCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000280696961 386838645 /nfs/dbraw/zinc/83/86/45/386838645.db2.gz FCOLIIZTBWPGNQ-UHFFFAOYSA-N -1 3 236.271 0.253 20 0 BCADHM C[C@H]1OCC[C@H]1[N-]S(=O)(=O)Cc1ccon1 ZINC000330222006 386839113 /nfs/dbraw/zinc/83/91/13/386839113.db2.gz RLQCTAXSQYCGRK-VXNVDRBHSA-N -1 3 246.288 0.271 20 0 BCADHM CC[C@@H](O)CCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000398594146 386849614 /nfs/dbraw/zinc/84/96/14/386849614.db2.gz XTOIVTNDTFOBTA-MRVPVSSYSA-N -1 3 247.320 0.239 20 0 BCADHM CC/C=C/CCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000341305486 386891419 /nfs/dbraw/zinc/89/14/19/386891419.db2.gz VIWMMQYSEPTDLQ-FSIBCCDJSA-N -1 3 237.303 0.579 20 0 BCADHM O=C(N[C@H]1CC[S@](=O)C1)c1ccccc1[O-] ZINC000335742175 386858348 /nfs/dbraw/zinc/85/83/48/386858348.db2.gz XJWPYXGDGKZFJP-PWJLMRLQSA-N -1 3 239.296 0.643 20 0 BCADHM C[C@H](C(=O)[O-])N1CCC[C@](O)(C(F)(F)F)C1 ZINC000336739441 386881501 /nfs/dbraw/zinc/88/15/01/386881501.db2.gz LGUMANYDVDOGGG-HTRCEHHLSA-N -1 3 241.209 0.849 20 0 BCADHM COC(=O)c1cc(C(=O)Nc2cn(C)nn2)c[n-]1 ZINC000358056413 386885306 /nfs/dbraw/zinc/88/53/06/386885306.db2.gz CUYSQPTVWFXEHW-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM COC(=O)C(C)(C)[N-]C(=O)C(C)(F)F ZINC000293907502 386900940 /nfs/dbraw/zinc/90/09/40/386900940.db2.gz CXHJBDIYXBQOTE-UHFFFAOYSA-N -1 3 209.192 0.709 20 0 BCADHM CCN(C(=O)c1ccc2n[n-]nc2c1)[C@@H](C)CO ZINC000293910540 386901355 /nfs/dbraw/zinc/90/13/55/386901355.db2.gz GADZTSJWKDSWIX-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM CO[C@]1(C)C[C@@H](NCc2n[nH]c(=O)[n-]2)C1(C)C ZINC000331778658 386901619 /nfs/dbraw/zinc/90/16/19/386901619.db2.gz NGMBYEGDNQKARD-RDDDGLTNSA-N -1 3 240.307 0.804 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)c1 ZINC000331898000 386921945 /nfs/dbraw/zinc/92/19/45/386921945.db2.gz JJTMEXHMUSVXPA-IUCAKERBSA-N -1 3 243.332 0.837 20 0 BCADHM CN(C)c1nc(C(=O)NC2CC2)cc(=O)[n-]1 ZINC000331947414 386930501 /nfs/dbraw/zinc/93/05/01/386930501.db2.gz JKLNNMOPOGSNCY-UHFFFAOYSA-N -1 3 222.248 0.140 20 0 BCADHM CO[C@@H]1CCC[C@H]1CNC(=O)c1c[n-]nn1 ZINC000341601363 386931653 /nfs/dbraw/zinc/93/16/53/386931653.db2.gz MDFNFXHARSSCJH-IONNQARKSA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@@H]1CCC[C@H]1CNC(=O)c1cnn[n-]1 ZINC000341601363 386931658 /nfs/dbraw/zinc/93/16/58/386931658.db2.gz MDFNFXHARSSCJH-IONNQARKSA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@@H]1CCC[C@H]1CNC(=O)c1cn[n-]n1 ZINC000341601363 386931664 /nfs/dbraw/zinc/93/16/64/386931664.db2.gz MDFNFXHARSSCJH-IONNQARKSA-N -1 3 224.264 0.350 20 0 BCADHM O=S(=O)(c1ccc([O-])cc1)N1CC(CO)C1 ZINC000331993404 386937278 /nfs/dbraw/zinc/93/72/78/386937278.db2.gz PTSJTJPDJQOAGC-UHFFFAOYSA-N -1 3 243.284 0.005 20 0 BCADHM C[C@@H]1OCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000331011165 386945362 /nfs/dbraw/zinc/94/53/62/386945362.db2.gz JGQTYPVDIHXKBN-DTWKUNHWSA-N -1 3 236.271 0.828 20 0 BCADHM Cn1nnnc1C[S@@](=O)c1ccc([O-])cc1 ZINC000341745798 386958778 /nfs/dbraw/zinc/95/87/78/386958778.db2.gz ZAPYBURUXLMFDD-MRXNPFEDSA-N -1 3 238.272 0.224 20 0 BCADHM CC(C)[C@](C)(O)C(=O)NCc1ncccc1[O-] ZINC000331031485 386959216 /nfs/dbraw/zinc/95/92/16/386959216.db2.gz ZVTBZOXIGKWWNI-LBPRGKRZSA-N -1 3 238.287 0.810 20 0 BCADHM O=S(=O)(Nc1ccc(F)cc1[O-])N1CCC1 ZINC000332432460 386980077 /nfs/dbraw/zinc/98/00/77/386980077.db2.gz JJKXDHXNAWFKIP-UHFFFAOYSA-N -1 3 246.263 0.894 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CCC(=O)NC1 ZINC000341890399 386983650 /nfs/dbraw/zinc/98/36/50/386983650.db2.gz VAGBYVVJEVJDIH-SSDOTTSWSA-N -1 3 235.243 0.252 20 0 BCADHM CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000095131405 386986713 /nfs/dbraw/zinc/98/67/13/386986713.db2.gz DVPALSLDDJGSHZ-UHFFFAOYSA-N -1 3 217.232 0.503 20 0 BCADHM CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000095131405 386986717 /nfs/dbraw/zinc/98/67/17/386986717.db2.gz DVPALSLDDJGSHZ-UHFFFAOYSA-N -1 3 217.232 0.503 20 0 BCADHM CCN(CC)S(=O)(=O)[N-]Cc1nc(C)no1 ZINC000331222992 386992291 /nfs/dbraw/zinc/99/22/91/386992291.db2.gz YZNNSLQUYFGOKA-UHFFFAOYSA-N -1 3 248.308 0.054 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]Cc1ncoc1C ZINC000331274300 386993696 /nfs/dbraw/zinc/99/36/96/386993696.db2.gz NAFYECBGULWRRZ-ZETCQYMHSA-N -1 3 248.304 0.437 20 0 BCADHM CO[C@@H](C)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000331276298 386994337 /nfs/dbraw/zinc/99/43/37/386994337.db2.gz NZXREVFZNANMBE-QMMMGPOBSA-N -1 3 233.289 0.901 20 0 BCADHM CC[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000334929646 387006334 /nfs/dbraw/zinc/00/63/34/387006334.db2.gz IWRIQWNBRKNAQJ-VIFPVBQESA-N -1 3 224.308 0.730 20 0 BCADHM CC(C)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000332736813 387006530 /nfs/dbraw/zinc/00/65/30/387006530.db2.gz YXSVFANMQADVSS-MRVPVSSYSA-N -1 3 210.281 0.988 20 0 BCADHM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1ccco1 ZINC000331298049 387010845 /nfs/dbraw/zinc/01/08/45/387010845.db2.gz PBMBSADEYVFNDP-MRVPVSSYSA-N -1 3 233.289 0.575 20 0 BCADHM COC(=O)[C@@H]([N-]S(=O)(=O)CC1CC1)C1CC1 ZINC000358849370 387023492 /nfs/dbraw/zinc/02/34/92/387023492.db2.gz CFCCUNBQTHSEFL-VIFPVBQESA-N -1 3 247.316 0.267 20 0 BCADHM Cc1csc(S(=O)(=O)[N-]CCO)c1 ZINC000336277315 387108017 /nfs/dbraw/zinc/10/80/17/387108017.db2.gz BJJBYPPZDDVUNG-UHFFFAOYSA-N -1 3 221.303 0.327 20 0 BCADHM CO[C@@H](C)CN(C)C(=O)Cc1cncc([O-])c1 ZINC000572135114 387246805 /nfs/dbraw/zinc/24/68/05/387246805.db2.gz OSWVEXSJQGNCOI-VIFPVBQESA-N -1 3 238.287 0.823 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CC2(CC2)C1 ZINC000571893866 387195707 /nfs/dbraw/zinc/19/57/07/387195707.db2.gz GBPVAIGROZBRNB-UHFFFAOYSA-N -1 3 218.256 0.952 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CCCCF)c1 ZINC000360260146 387252426 /nfs/dbraw/zinc/25/24/26/387252426.db2.gz CQQRQKCYVIXKNX-UHFFFAOYSA-N -1 3 249.311 0.931 20 0 BCADHM Cc1ccc([O-])c(C(=O)N(C)CCC(N)=O)c1 ZINC000286188341 387315968 /nfs/dbraw/zinc/31/59/68/387315968.db2.gz JWLWBHPZZDYYSC-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM C[C@@H](C(=O)NCc1ncccc1[O-])n1cccn1 ZINC000352510303 387266926 /nfs/dbraw/zinc/26/69/26/387266926.db2.gz SJRGITUUAVQVCR-VIFPVBQESA-N -1 3 246.270 0.861 20 0 BCADHM COc1cc(C(=O)NCc2ncccc2[O-])on1 ZINC000352510241 387267168 /nfs/dbraw/zinc/26/71/68/387267168.db2.gz RRFRRYLXDNLIOZ-UHFFFAOYSA-N -1 3 249.226 0.714 20 0 BCADHM C[C@@H]1C(=O)N(C)CN1C(=O)c1ccccc1[O-] ZINC000648640375 387268090 /nfs/dbraw/zinc/26/80/90/387268090.db2.gz IYKRKFSVXWOVFK-MRVPVSSYSA-N -1 3 234.255 0.652 20 0 BCADHM C[C@H](C(=O)NCc1ncccc1[O-])n1cncn1 ZINC000352509352 387268187 /nfs/dbraw/zinc/26/81/87/387268187.db2.gz PDSHIGKQVPTBHF-MRVPVSSYSA-N -1 3 247.258 0.256 20 0 BCADHM COc1cc(C(=O)N2CC(O)C2)ccc1[O-] ZINC000514708206 387275827 /nfs/dbraw/zinc/27/58/27/387275827.db2.gz BILVTOIBWPWNDU-UHFFFAOYSA-N -1 3 223.228 0.218 20 0 BCADHM CN(C)Cc1ccc(CNC(=O)C(=O)[O-])cc1 ZINC000360420346 387282593 /nfs/dbraw/zinc/28/25/93/387282593.db2.gz OZVYQEVYBLZLAC-UHFFFAOYSA-N -1 3 236.271 0.449 20 0 BCADHM O=C(CCn1cccn1)NCc1ncccc1[O-] ZINC000352518649 387285955 /nfs/dbraw/zinc/28/59/55/387285955.db2.gz YOJVSLCQWWXHCW-UHFFFAOYSA-N -1 3 246.270 0.690 20 0 BCADHM O=S(=O)([N-]CC(F)F)c1ccoc1 ZINC000285914662 387292796 /nfs/dbraw/zinc/29/27/96/387292796.db2.gz HPSHQBBUQIVFFR-UHFFFAOYSA-N -1 3 211.189 0.823 20 0 BCADHM COC(C)(C)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000360878880 387361307 /nfs/dbraw/zinc/36/13/07/387361307.db2.gz WWFXYZCZVDPWRQ-UHFFFAOYSA-N -1 3 247.320 0.123 20 0 BCADHM CC(C)(C)[C@@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000354439962 387376364 /nfs/dbraw/zinc/37/63/64/387376364.db2.gz YZNOLVQFHDBCCR-MRVPVSSYSA-N -1 3 235.291 0.545 20 0 BCADHM CC(C)c1noc([N-]Cc2cnn(C)n2)n1 ZINC000286473357 387327128 /nfs/dbraw/zinc/32/71/28/387327128.db2.gz QIWUGYMDFBKVCL-UHFFFAOYSA-N -1 3 222.252 0.934 20 0 BCADHM CN(Cc1ccoc1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000354524041 387390623 /nfs/dbraw/zinc/39/06/23/387390623.db2.gz RKUPKOAAUMHDMX-UHFFFAOYSA-N -1 3 244.258 0.946 20 0 BCADHM Cc1ccc(NC(=O)[C@H]2COCCN2)c([O-])c1 ZINC000423709801 387400251 /nfs/dbraw/zinc/40/02/51/387400251.db2.gz OHTKMCISBLEZFQ-SNVBAGLBSA-N -1 3 236.271 0.628 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CC(F)C1 ZINC000336619735 387461012 /nfs/dbraw/zinc/46/10/12/387461012.db2.gz FEPOTBSAHWFQAF-UHFFFAOYSA-N -1 3 220.207 0.752 20 0 BCADHM Cn1cnnc1C[S@](=O)c1ccc([O-])cc1 ZINC000572427135 387421558 /nfs/dbraw/zinc/42/15/58/387421558.db2.gz XBYJLYBLRXFCCU-INIZCTEOSA-N -1 3 237.284 0.829 20 0 BCADHM O=S(=O)([N-]CC1CC1)c1ccco1 ZINC000275429571 387510240 /nfs/dbraw/zinc/51/02/40/387510240.db2.gz DYAPRIVZQJHXHS-UHFFFAOYSA-N -1 3 201.247 0.968 20 0 BCADHM C[C@H](CO)N(Cc1n[nH]c(=O)[n-]1)CC1CCC1 ZINC000361495639 387471422 /nfs/dbraw/zinc/47/14/22/387471422.db2.gz GNKPADXEPYHSGW-MRVPVSSYSA-N -1 3 240.307 0.493 20 0 BCADHM CCCc1cc([N-]S(C)(=O)=O)n[nH]1 ZINC000122106867 387483790 /nfs/dbraw/zinc/48/37/90/387483790.db2.gz HYCKVJZSMLXAEK-UHFFFAOYSA-N -1 3 203.267 0.734 20 0 BCADHM Cc1ccc([O-])c(CN2CCCN(C)C(=O)C2)n1 ZINC000375570450 387554115 /nfs/dbraw/zinc/55/41/15/387554115.db2.gz KVBQKZNEVYCITR-UHFFFAOYSA-N -1 3 249.314 0.760 20 0 BCADHM c1[n-][nH]c2ncnc(=NC[C@@H]3[C@H]4COC[C@H]43)c1-2 ZINC000375632027 387561848 /nfs/dbraw/zinc/56/18/48/387561848.db2.gz QWRCSWOAIBIENJ-VJKWBMGZSA-N -1 3 231.259 0.031 20 0 BCADHM COc1ccc(C(=O)N[C@H](C)CO)c([O-])c1 ZINC000035204870 387562150 /nfs/dbraw/zinc/56/21/50/387562150.db2.gz NIMHJBCMXIFTDY-SSDOTTSWSA-N -1 3 225.244 0.511 20 0 BCADHM CC[C@@H](NC(=O)c1c[n-]nn1)c1ncc[nH]1 ZINC000125338062 387650589 /nfs/dbraw/zinc/65/05/89/387650589.db2.gz JQAIHOURIQQRCT-ZCFIWIBFSA-N -1 3 220.236 0.409 20 0 BCADHM CC[C@@H](NC(=O)c1cn[n-]n1)c1ncc[nH]1 ZINC000125338062 387650593 /nfs/dbraw/zinc/65/05/93/387650593.db2.gz JQAIHOURIQQRCT-ZCFIWIBFSA-N -1 3 220.236 0.409 20 0 BCADHM CC[C@@H](NC(=O)c1cnn[n-]1)c1ncc[nH]1 ZINC000125338062 387650597 /nfs/dbraw/zinc/65/05/97/387650597.db2.gz JQAIHOURIQQRCT-ZCFIWIBFSA-N -1 3 220.236 0.409 20 0 BCADHM CC[C@H](NC(=O)c1c[n-]nn1)c1ncc[nH]1 ZINC000125337835 387650707 /nfs/dbraw/zinc/65/07/07/387650707.db2.gz JQAIHOURIQQRCT-LURJTMIESA-N -1 3 220.236 0.409 20 0 BCADHM CC[C@H](NC(=O)c1cn[n-]n1)c1ncc[nH]1 ZINC000125337835 387650711 /nfs/dbraw/zinc/65/07/11/387650711.db2.gz JQAIHOURIQQRCT-LURJTMIESA-N -1 3 220.236 0.409 20 0 BCADHM CC[C@H](NC(=O)c1cnn[n-]1)c1ncc[nH]1 ZINC000125337835 387650714 /nfs/dbraw/zinc/65/07/14/387650714.db2.gz JQAIHOURIQQRCT-LURJTMIESA-N -1 3 220.236 0.409 20 0 BCADHM Cn1cnc([N-]C(=O)c2cscn2)n1 ZINC000356431054 387658080 /nfs/dbraw/zinc/65/80/80/387658080.db2.gz VWTMAYUGTZGLFI-UHFFFAOYSA-N -1 3 209.234 0.524 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1ccccn1)[C@H](C)O ZINC000451909636 387678914 /nfs/dbraw/zinc/67/89/14/387678914.db2.gz LLGQGSICDNAEDS-IUCAKERBSA-N -1 3 244.316 0.519 20 0 BCADHM CO[N-]C(=O)[C@H]1C[C@@]1(C)Br ZINC000527824540 387744747 /nfs/dbraw/zinc/74/47/47/387744747.db2.gz YMSMURUMEILWPT-INEUFUBQSA-N -1 3 208.055 0.838 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2C(=O)NCC[C@H]2C)n1 ZINC000441338496 387747491 /nfs/dbraw/zinc/74/74/91/387747491.db2.gz FMFTUVPQOSMXSU-PRHODGIISA-N -1 3 249.314 0.710 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H]2C(=O)NCC[C@@H]2C)n1 ZINC000441338499 387748128 /nfs/dbraw/zinc/74/81/28/387748128.db2.gz FMFTUVPQOSMXSU-UFBFGSQYSA-N -1 3 249.314 0.710 20 0 BCADHM O=c1[n-]nc(CN2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000367459310 387712098 /nfs/dbraw/zinc/71/20/98/387712098.db2.gz SEGWQBHPBXHLAD-KNVOCYPGSA-N -1 3 227.289 0.607 20 0 BCADHM C[C@@H](O)CN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000377486380 387719771 /nfs/dbraw/zinc/71/97/71/387719771.db2.gz UMCMVMYBONBXCZ-SSDOTTSWSA-N -1 3 226.280 0.071 20 0 BCADHM CC[C@H](C)[C@H](OC)C(=O)[N-]c1nncn1C ZINC000356778870 387720678 /nfs/dbraw/zinc/72/06/78/387720678.db2.gz ZGUCNHFXVZMKQX-YUMQZZPRSA-N -1 3 226.280 0.815 20 0 BCADHM Cn1cncc1C(=O)Nc1ncccc1[O-] ZINC000431607479 387722863 /nfs/dbraw/zinc/72/28/63/387722863.db2.gz IBZGAGITBJCYIG-UHFFFAOYSA-N -1 3 218.216 0.773 20 0 BCADHM O=S(=O)([N-]C1(CCO)CC1)c1cccs1 ZINC000431613784 387722962 /nfs/dbraw/zinc/72/29/62/387722962.db2.gz JHQVJCGTKOTOKK-UHFFFAOYSA-N -1 3 247.341 0.941 20 0 BCADHM C[C@H](CO)Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000356846212 387730117 /nfs/dbraw/zinc/73/01/17/387730117.db2.gz ZDVNZRYGPMLSES-RXMQYKEDSA-N -1 3 240.288 0.542 20 0 BCADHM C[C@@H](CO)Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000356846214 387730125 /nfs/dbraw/zinc/73/01/25/387730125.db2.gz ZDVNZRYGPMLSES-YFKPBYRVSA-N -1 3 240.288 0.542 20 0 BCADHM N[C@@H](CC1CCCCC1)C(=O)Nc1nnn[n-]1 ZINC000422914417 387771479 /nfs/dbraw/zinc/77/14/79/387771479.db2.gz UCWBUDQIGFEBAU-QMMMGPOBSA-N -1 3 238.295 0.436 20 0 BCADHM N[C@@H](CC1CCCCC1)C(=O)Nc1nn[n-]n1 ZINC000422914417 387771486 /nfs/dbraw/zinc/77/14/86/387771486.db2.gz UCWBUDQIGFEBAU-QMMMGPOBSA-N -1 3 238.295 0.436 20 0 BCADHM CC[C@@H](CO)NS(=O)(=O)c1ccc([O-])cc1 ZINC000425178204 387782342 /nfs/dbraw/zinc/78/23/42/387782342.db2.gz RFFPKXGKLNWQPR-QMMMGPOBSA-N -1 3 245.300 0.441 20 0 BCADHM Cc1ccc([O-])c(CN2CC(n3ccnn3)C2)n1 ZINC000378534002 387789053 /nfs/dbraw/zinc/78/90/53/387789053.db2.gz NIOGSZZJZZRNLV-UHFFFAOYSA-N -1 3 245.286 0.744 20 0 BCADHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]Cc1ccno1 ZINC000442744894 387833073 /nfs/dbraw/zinc/83/30/73/387833073.db2.gz NPDDFDFZSLXJMR-CBAPKCEASA-N -1 3 246.288 0.271 20 0 BCADHM Cn1c(=O)[n-]nc1SCCC1(O)CC1 ZINC000442846372 387849337 /nfs/dbraw/zinc/84/93/37/387849337.db2.gz ZBPXLSUIHQVLPU-UHFFFAOYSA-N -1 3 215.278 0.528 20 0 BCADHM Cn1ncnc1[N-]C(=O)c1noc2c1CCCC2 ZINC000151053685 387817600 /nfs/dbraw/zinc/81/76/00/387817600.db2.gz JVYGWWXKOQMVAE-UHFFFAOYSA-N -1 3 247.258 0.934 20 0 BCADHM C[C@H](CO)NC(=O)c1cccc2nn[n-]c21 ZINC000527105489 387932735 /nfs/dbraw/zinc/93/27/35/387932735.db2.gz UEZXNVMOANCEIO-ZCFIWIBFSA-N -1 3 220.232 0.069 20 0 BCADHM C[C@H](CO)NC(=O)c1cccc2[n-]nnc21 ZINC000527105489 387932739 /nfs/dbraw/zinc/93/27/39/387932739.db2.gz UEZXNVMOANCEIO-ZCFIWIBFSA-N -1 3 220.232 0.069 20 0 BCADHM C[C@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC000527105489 387932743 /nfs/dbraw/zinc/93/27/43/387932743.db2.gz UEZXNVMOANCEIO-ZCFIWIBFSA-N -1 3 220.232 0.069 20 0 BCADHM O=C1NCCC[C@@H]1NCc1cc([O-])cc(F)c1 ZINC000223124530 387935192 /nfs/dbraw/zinc/93/51/92/387935192.db2.gz FPYJHTVXOFSUCM-NSHDSACASA-N -1 3 238.262 0.900 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3C[C@@H]4OCCC[C@@H]34)c1-2 ZINC000438900701 387962281 /nfs/dbraw/zinc/96/22/81/387962281.db2.gz NKBSUXIKGJLTBD-SFGNSQDASA-N -1 3 245.286 0.706 20 0 BCADHM C[C@@H](O)CCS(=O)(=O)c1cccc([O-])c1 ZINC000453015429 387962254 /nfs/dbraw/zinc/96/22/54/387962254.db2.gz AKTFJVCOZVCDTA-MRVPVSSYSA-N -1 3 230.285 0.937 20 0 BCADHM C[C@](O)(C[N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000445754384 387963392 /nfs/dbraw/zinc/96/33/92/387963392.db2.gz YWWKKYMQEWDFOP-JTQLQIEISA-N -1 3 245.300 0.719 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2CO[C@H](C)C2)[n-]1 ZINC000439475700 388001732 /nfs/dbraw/zinc/00/17/32/388001732.db2.gz YZECRAZLGQJJRK-PHDIDXHHSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2CO[C@H](C)C2)n1 ZINC000439475700 388001736 /nfs/dbraw/zinc/00/17/36/388001736.db2.gz YZECRAZLGQJJRK-PHDIDXHHSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nc(NC(=O)[C@H]2CO[C@H](C)C2)n[n-]1 ZINC000439475700 388001739 /nfs/dbraw/zinc/00/17/39/388001739.db2.gz YZECRAZLGQJJRK-PHDIDXHHSA-N -1 3 242.304 0.890 20 0 BCADHM CC1([N-]S(=O)(=O)c2c[nH]cn2)CCOCC1 ZINC000159256318 388004941 /nfs/dbraw/zinc/00/49/41/388004941.db2.gz QJWWBMWPCTYPHN-UHFFFAOYSA-N -1 3 245.304 0.257 20 0 BCADHM O=C(NCCOc1ccccc1)c1c[n-]nn1 ZINC000108284965 388024578 /nfs/dbraw/zinc/02/45/78/388024578.db2.gz LTPARSNFTTYDBV-UHFFFAOYSA-N -1 3 232.243 0.614 20 0 BCADHM O=C(NCCOc1ccccc1)c1cnn[n-]1 ZINC000108284965 388024583 /nfs/dbraw/zinc/02/45/83/388024583.db2.gz LTPARSNFTTYDBV-UHFFFAOYSA-N -1 3 232.243 0.614 20 0 BCADHM O=C(NCCOc1ccccc1)c1cn[n-]n1 ZINC000108284965 388024590 /nfs/dbraw/zinc/02/45/90/388024590.db2.gz LTPARSNFTTYDBV-UHFFFAOYSA-N -1 3 232.243 0.614 20 0 BCADHM Cc1cc(C(=O)NC[C@H]2CCCO2)[n-]c(=O)n1 ZINC000268670199 177791864 /nfs/dbraw/zinc/79/18/64/177791864.db2.gz RYDWEYZCNUHZTQ-MRVPVSSYSA-N -1 3 237.259 0.399 20 0 BCADHM CC[C@@H](C[C@@H](C)CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000439714089 388015854 /nfs/dbraw/zinc/01/58/54/388015854.db2.gz KAPKSCIJLOUGLL-BDAKNGLRSA-N -1 3 249.318 0.935 20 0 BCADHM O=C(NCc1cnc[nH]1)c1ncccc1[O-] ZINC000084081368 388070056 /nfs/dbraw/zinc/07/00/56/388070056.db2.gz WJDYROZONIVAOB-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM OCCCCCNc1nc2nncc-2c(O)[n-]1 ZINC000447809717 388094120 /nfs/dbraw/zinc/09/41/20/388094120.db2.gz CDFVOUNSWLGLGR-UHFFFAOYSA-N -1 3 237.263 0.007 20 0 BCADHM C[C@H]1CN(C(=O)c2ncccc2[O-])[C@@H](C)CN1 ZINC000086467833 388102334 /nfs/dbraw/zinc/10/23/34/388102334.db2.gz GYFFFLSZGNBWLR-IUCAKERBSA-N -1 3 235.287 0.610 20 0 BCADHM N[C@@H](CC(F)F)C(=O)Nc1ncccc1[O-] ZINC000336661529 388105339 /nfs/dbraw/zinc/10/53/39/388105339.db2.gz OCRCGNIPBWJDHN-YFKPBYRVSA-N -1 3 231.202 0.708 20 0 BCADHM N[C@H](CC(F)F)C(=O)Nc1ncccc1[O-] ZINC000336661492 388107503 /nfs/dbraw/zinc/10/75/03/388107503.db2.gz OCRCGNIPBWJDHN-RXMQYKEDSA-N -1 3 231.202 0.708 20 0 BCADHM CC(C)CCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646265476 388172635 /nfs/dbraw/zinc/17/26/35/388172635.db2.gz UURBSJAVZMWMAC-UHFFFAOYSA-N -1 3 222.252 0.827 20 0 BCADHM CO[C@H](C)CCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646267457 388173463 /nfs/dbraw/zinc/17/34/63/388173463.db2.gz RWUPCEBMDUUTQZ-ZCFIWIBFSA-N -1 3 238.251 0.206 20 0 BCADHM Cc1nscc1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646269267 388173887 /nfs/dbraw/zinc/17/38/87/388173887.db2.gz QWGFETWQKUQPHK-UHFFFAOYSA-N -1 3 249.259 0.470 20 0 BCADHM CC(C)(C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646267126 388173970 /nfs/dbraw/zinc/17/39/70/388173970.db2.gz DFANSZLKOBXGEO-UHFFFAOYSA-N -1 3 208.225 0.437 20 0 BCADHM O=C(NCCO[C@@H]1CCCCO1)c1c[n-]nn1 ZINC000646304136 388184701 /nfs/dbraw/zinc/18/47/01/388184701.db2.gz LLWYLNSNBCYLED-SECBINFHSA-N -1 3 240.263 0.078 20 0 BCADHM O=C(NCCO[C@@H]1CCCCO1)c1cnn[n-]1 ZINC000646304136 388184704 /nfs/dbraw/zinc/18/47/04/388184704.db2.gz LLWYLNSNBCYLED-SECBINFHSA-N -1 3 240.263 0.078 20 0 BCADHM O=C(NCCO[C@@H]1CCCCO1)c1cn[n-]n1 ZINC000646304136 388184706 /nfs/dbraw/zinc/18/47/06/388184706.db2.gz LLWYLNSNBCYLED-SECBINFHSA-N -1 3 240.263 0.078 20 0 BCADHM COCCCS(=O)(=O)[N-][C@@H](C)C(C)(F)F ZINC000451686236 388289835 /nfs/dbraw/zinc/28/98/35/388289835.db2.gz DWXGOMRFABJAQV-ZETCQYMHSA-N -1 3 245.291 0.986 20 0 BCADHM Cc1nc(C)c(CCC(=O)N2CCCC2)c(=O)[n-]1 ZINC000070248084 388300126 /nfs/dbraw/zinc/30/01/26/388300126.db2.gz QBCBXEQYLOTNNO-UHFFFAOYSA-N -1 3 249.314 0.942 20 0 BCADHM CCN(CC(N)=O)C(=O)/C=C/c1cncc([O-])c1 ZINC000492030952 388332111 /nfs/dbraw/zinc/33/21/11/388332111.db2.gz JZEXKWQWHSYXQY-ONEGZZNKSA-N -1 3 249.270 0.134 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1ccco1)[C@@H](C)O ZINC000451884530 388302830 /nfs/dbraw/zinc/30/28/30/388302830.db2.gz DKZGRXOEJRGIMH-HTQZYQBOSA-N -1 3 233.289 0.717 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)/C=C/C1CC1 ZINC000491930868 388328416 /nfs/dbraw/zinc/32/84/16/388328416.db2.gz YAHNHJKFWLYONR-YEZKRMTDSA-N -1 3 235.287 0.581 20 0 BCADHM CO[C@@H](C)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000491963127 388329780 /nfs/dbraw/zinc/32/97/80/388329780.db2.gz KWBIWMZQXIHJSS-TYRPZCRBSA-N -1 3 236.271 0.952 20 0 BCADHM O=C(/C=C\c1ccsc1)[N-]OCCO ZINC000491987644 388330691 /nfs/dbraw/zinc/33/06/91/388330691.db2.gz ATWZIZNYLJQOAJ-UPHRSURJSA-N -1 3 213.258 0.801 20 0 BCADHM O=C(/C=C/c1cccc(CO)c1)[N-]OCCO ZINC000491988177 388330705 /nfs/dbraw/zinc/33/07/05/388330705.db2.gz BWZWCPRGEUVXNJ-SNAWJCMRSA-N -1 3 237.255 0.232 20 0 BCADHM C[C@H](O)CCN(C)c1ccncc1C(=O)[O-] ZINC000219784246 256619435 /nfs/dbraw/zinc/61/94/35/256619435.db2.gz OFSFYDBBRLGUPH-QMMMGPOBSA-N -1 3 224.260 0.987 20 0 BCADHM O=C(/C=C\c1ccc[nH]1)[N-]O[C@@H]1CCOC1 ZINC000492004755 388331075 /nfs/dbraw/zinc/33/10/75/388331075.db2.gz TUHGYQOPXXNBSY-UMBAGQNISA-N -1 3 222.244 0.865 20 0 BCADHM CCN(CCO)C(=O)/C=C\c1cncc([O-])c1 ZINC000492391302 388343358 /nfs/dbraw/zinc/34/33/58/388343358.db2.gz ACODRJGMWFBYHO-ARJAWSKDSA-N -1 3 236.271 0.641 20 0 BCADHM C[C@]1(CO)CCC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000162222399 388348199 /nfs/dbraw/zinc/34/81/99/388348199.db2.gz XWVWBFHTLVFZSB-WCBMZHEXSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@]1(CO)CCC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000162222399 388348201 /nfs/dbraw/zinc/34/82/01/388348201.db2.gz XWVWBFHTLVFZSB-WCBMZHEXSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@]1(CO)CCC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000162222399 388348203 /nfs/dbraw/zinc/34/82/03/388348203.db2.gz XWVWBFHTLVFZSB-WCBMZHEXSA-N -1 3 224.264 0.086 20 0 BCADHM Cc1[n-][nH]c(=O)c1NC(=O)c1[nH]nc2c1CCC2 ZINC000646411935 388352888 /nfs/dbraw/zinc/35/28/88/388352888.db2.gz YUNQANGJESOIED-UHFFFAOYSA-N -1 3 247.258 0.888 20 0 BCADHM CS[C@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000524397160 388358262 /nfs/dbraw/zinc/35/82/62/388358262.db2.gz KLPIOKBBLRCMGH-SFYZADRCSA-N -1 3 243.332 0.366 20 0 BCADHM CC(C)(C)OCCNC(=O)c1c[n-]nn1 ZINC000308564033 388362469 /nfs/dbraw/zinc/36/24/69/388362469.db2.gz FKQLIUWZLSRKSK-UHFFFAOYSA-N -1 3 212.253 0.350 20 0 BCADHM CC(C)(C)OCCNC(=O)c1cnn[n-]1 ZINC000308564033 388362470 /nfs/dbraw/zinc/36/24/70/388362470.db2.gz FKQLIUWZLSRKSK-UHFFFAOYSA-N -1 3 212.253 0.350 20 0 BCADHM CC(C)(C)OCCNC(=O)c1cn[n-]n1 ZINC000308564033 388362473 /nfs/dbraw/zinc/36/24/73/388362473.db2.gz FKQLIUWZLSRKSK-UHFFFAOYSA-N -1 3 212.253 0.350 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCC[C@@H]2COC[C@@H]21 ZINC000627724326 388367074 /nfs/dbraw/zinc/36/70/74/388367074.db2.gz HVCCCLYXMSIAJM-SCZZXKLOSA-N -1 3 249.270 0.433 20 0 BCADHM O=C(Nc1ncccc1[O-])c1cc(O)cc(=O)[nH]1 ZINC000646590541 388391704 /nfs/dbraw/zinc/39/17/04/388391704.db2.gz OMEWVXQFZBFSGQ-UHFFFAOYSA-N -1 3 247.210 0.846 20 0 BCADHM O=C(NCCCO)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646649061 388402223 /nfs/dbraw/zinc/40/22/23/388402223.db2.gz LWQIDZLDAHOHHC-UHFFFAOYSA-N -1 3 235.243 0.381 20 0 BCADHM CCCCS(=O)(=O)[N-][C@H](CC)C(=O)OC ZINC000071557406 388461148 /nfs/dbraw/zinc/46/11/48/388461148.db2.gz VFIXNFOMAZWTPY-MRVPVSSYSA-N -1 3 237.321 0.658 20 0 BCADHM CS(=O)(=O)CCC(=O)Nc1ccccc1[O-] ZINC000079718460 388463044 /nfs/dbraw/zinc/46/30/44/388463044.db2.gz DEHJXVJGNFFPHY-UHFFFAOYSA-N -1 3 243.284 0.765 20 0 BCADHM CO[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000339057152 388478103 /nfs/dbraw/zinc/47/81/03/388478103.db2.gz VDWUYHPJHUWJIQ-QMMMGPOBSA-N -1 3 245.304 0.113 20 0 BCADHM COc1nc(NC(=O)C2CC(F)(F)C2)n[n-]1 ZINC000352638765 388537282 /nfs/dbraw/zinc/53/72/82/388537282.db2.gz VEIBYBPKGVTXPX-UHFFFAOYSA-N -1 3 232.190 0.797 20 0 BCADHM COc1nnc(NC(=O)C2CC(F)(F)C2)[n-]1 ZINC000352638765 388537285 /nfs/dbraw/zinc/53/72/85/388537285.db2.gz VEIBYBPKGVTXPX-UHFFFAOYSA-N -1 3 232.190 0.797 20 0 BCADHM COc1n[n-]c(NC(=O)C2CC(F)(F)C2)n1 ZINC000352638765 388537287 /nfs/dbraw/zinc/53/72/87/388537287.db2.gz VEIBYBPKGVTXPX-UHFFFAOYSA-N -1 3 232.190 0.797 20 0 BCADHM Cn1c([N-]S(C)(=O)=O)nc2cccnc21 ZINC000548476514 388541870 /nfs/dbraw/zinc/54/18/70/388541870.db2.gz YTOIVQXIIVWAGN-UHFFFAOYSA-N -1 3 226.261 0.340 20 0 BCADHM NC(=O)OCCNC(=O)c1ccccc1[O-] ZINC000135235192 388485605 /nfs/dbraw/zinc/48/56/05/388485605.db2.gz VQYXYBXLFXEVDN-UHFFFAOYSA-N -1 3 224.216 0.217 20 0 BCADHM Cn1cnnc1C[S@](=O)c1cccc([O-])c1 ZINC000547810300 388485896 /nfs/dbraw/zinc/48/58/96/388485896.db2.gz FMKAATCGLQMMGP-INIZCTEOSA-N -1 3 237.284 0.829 20 0 BCADHM Oc1[n-]c(N2C[C@@H](O)C3(CC3)C2)nc2nncc1-2 ZINC000548286095 388525685 /nfs/dbraw/zinc/52/56/85/388525685.db2.gz LBJWAEOBMLRHKR-SSDOTTSWSA-N -1 3 247.258 0.020 20 0 BCADHM O=C(c1c([O-])cccc1O)N1C[C@H](O)C2(CC2)C1 ZINC000548323512 388529122 /nfs/dbraw/zinc/52/91/22/388529122.db2.gz WDOBPFPIFZTKEA-JTQLQIEISA-N -1 3 249.266 0.695 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1CCOC1 ZINC000549696092 388588879 /nfs/dbraw/zinc/58/88/79/388588879.db2.gz UAAOWIXLBFLFCI-ZCFIWIBFSA-N -1 3 239.231 0.171 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1CCOC1 ZINC000549696092 388588880 /nfs/dbraw/zinc/58/88/80/388588880.db2.gz UAAOWIXLBFLFCI-ZCFIWIBFSA-N -1 3 239.231 0.171 20 0 BCADHM Cn1cncc1CCC(=O)Nc1ccncc1[O-] ZINC000550079127 388598474 /nfs/dbraw/zinc/59/84/74/388598474.db2.gz FQLOPYGSDCNPQD-UHFFFAOYSA-N -1 3 246.270 0.514 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1c[n-]nn1 ZINC000529988525 388601208 /nfs/dbraw/zinc/60/12/08/388601208.db2.gz WPFSQMJLBYUKCP-AYHNYZOXSA-N -1 3 224.264 0.346 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cnn[n-]1 ZINC000529988525 388601210 /nfs/dbraw/zinc/60/12/10/388601210.db2.gz WPFSQMJLBYUKCP-AYHNYZOXSA-N -1 3 224.264 0.346 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cn[n-]n1 ZINC000529988525 388601211 /nfs/dbraw/zinc/60/12/11/388601211.db2.gz WPFSQMJLBYUKCP-AYHNYZOXSA-N -1 3 224.264 0.346 20 0 BCADHM CC1(O)CN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000548717544 388555198 /nfs/dbraw/zinc/55/51/98/388555198.db2.gz GENCUNBYCVJZLR-UHFFFAOYSA-N -1 3 232.243 0.165 20 0 BCADHM CC1(O)CN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000548717544 388555199 /nfs/dbraw/zinc/55/51/99/388555199.db2.gz GENCUNBYCVJZLR-UHFFFAOYSA-N -1 3 232.243 0.165 20 0 BCADHM CC1(O)CN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000548717544 388555200 /nfs/dbraw/zinc/55/52/00/388555200.db2.gz GENCUNBYCVJZLR-UHFFFAOYSA-N -1 3 232.243 0.165 20 0 BCADHM O=C([N-]c1nncn1C1CC1)[C@@H]1CCCO1 ZINC000285801733 388558515 /nfs/dbraw/zinc/55/85/15/388558515.db2.gz MURLDOPTOJEFBY-QMMMGPOBSA-N -1 3 222.248 0.731 20 0 BCADHM Cn1nnc(CNCc2cc([O-])cc(F)c2)n1 ZINC000362955915 388562193 /nfs/dbraw/zinc/56/21/93/388562193.db2.gz VALXAPILSADVIT-UHFFFAOYSA-N -1 3 237.238 0.345 20 0 BCADHM COCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530166638 388619443 /nfs/dbraw/zinc/61/94/43/388619443.db2.gz PDSGNSJOTDBCQX-SNVBAGLBSA-N -1 3 225.244 0.910 20 0 BCADHM CO[C@]1(C(=O)[O-])CCN(CCOCC(C)C)C1 ZINC000530171940 388620764 /nfs/dbraw/zinc/62/07/64/388620764.db2.gz SQOPJNFVURUPJP-GFCCVEGCSA-N -1 3 245.319 0.835 20 0 BCADHM CN(C[C@H]1CCOC1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000539291491 388752120 /nfs/dbraw/zinc/75/21/20/388752120.db2.gz JDIYXTOJUXKUIV-SSDOTTSWSA-N -1 3 248.290 0.190 20 0 BCADHM CC[C@H](C)C[C@H](CO)NC(=O)c1c[n-]nn1 ZINC000649051014 388753911 /nfs/dbraw/zinc/75/39/11/388753911.db2.gz JQJBNPMAZNGCON-JGVFFNPUSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@H](C)C[C@H](CO)NC(=O)c1cnn[n-]1 ZINC000649051014 388753914 /nfs/dbraw/zinc/75/39/14/388753914.db2.gz JQJBNPMAZNGCON-JGVFFNPUSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@H](C)C[C@H](CO)NC(=O)c1cn[n-]n1 ZINC000649051014 388753917 /nfs/dbraw/zinc/75/39/17/388753917.db2.gz JQJBNPMAZNGCON-JGVFFNPUSA-N -1 3 226.280 0.332 20 0 BCADHM COCc1ccc(CNC(=O)c2c[n-]nn2)cc1 ZINC000194171643 388725263 /nfs/dbraw/zinc/72/52/63/388725263.db2.gz AIQDERNUMJEURQ-UHFFFAOYSA-N -1 3 246.270 0.881 20 0 BCADHM COCc1ccc(CNC(=O)c2cnn[n-]2)cc1 ZINC000194171643 388725265 /nfs/dbraw/zinc/72/52/65/388725265.db2.gz AIQDERNUMJEURQ-UHFFFAOYSA-N -1 3 246.270 0.881 20 0 BCADHM COCc1ccc(CNC(=O)c2cn[n-]n2)cc1 ZINC000194171643 388725267 /nfs/dbraw/zinc/72/52/67/388725267.db2.gz AIQDERNUMJEURQ-UHFFFAOYSA-N -1 3 246.270 0.881 20 0 BCADHM COc1nnc(NC(=O)Cc2cccc(O)c2)[n-]1 ZINC000127820214 388732331 /nfs/dbraw/zinc/73/23/31/388732331.db2.gz QFRCZETUXSKMDF-UHFFFAOYSA-N -1 3 248.242 0.700 20 0 BCADHM COc1nc(NC(=O)Cc2cccc(O)c2)n[n-]1 ZINC000127820214 388732332 /nfs/dbraw/zinc/73/23/32/388732332.db2.gz QFRCZETUXSKMDF-UHFFFAOYSA-N -1 3 248.242 0.700 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2cccc(O)c2)n1 ZINC000127820214 388732335 /nfs/dbraw/zinc/73/23/35/388732335.db2.gz QFRCZETUXSKMDF-UHFFFAOYSA-N -1 3 248.242 0.700 20 0 BCADHM CCOC1CN(C(=O)Cc2cncc([O-])c2)C1 ZINC000564226301 388790948 /nfs/dbraw/zinc/79/09/48/388790948.db2.gz TYAJZISRFUOGNK-UHFFFAOYSA-N -1 3 236.271 0.577 20 0 BCADHM COc1nc(NC(=O)[C@@H](C)OCC(C)C)n[n-]1 ZINC000540914261 388825445 /nfs/dbraw/zinc/82/54/45/388825445.db2.gz YEGGERHIMZXOOD-SSDOTTSWSA-N -1 3 242.279 0.813 20 0 BCADHM COc1nnc(NC(=O)[C@@H](C)OCC(C)C)[n-]1 ZINC000540914261 388825449 /nfs/dbraw/zinc/82/54/49/388825449.db2.gz YEGGERHIMZXOOD-SSDOTTSWSA-N -1 3 242.279 0.813 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](C)OCC(C)C)n1 ZINC000540914261 388825452 /nfs/dbraw/zinc/82/54/52/388825452.db2.gz YEGGERHIMZXOOD-SSDOTTSWSA-N -1 3 242.279 0.813 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccoc1C ZINC000523684660 388851893 /nfs/dbraw/zinc/85/18/93/388851893.db2.gz KDVHIERZNQLIQB-SECBINFHSA-N -1 3 249.270 0.830 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(C)C ZINC000523688606 388852864 /nfs/dbraw/zinc/85/28/64/388852864.db2.gz WFMFUFAHZGGRQI-MRVPVSSYSA-N -1 3 211.265 0.271 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)N[C@H](CC)C(=O)[O-] ZINC000555637197 388858318 /nfs/dbraw/zinc/85/83/18/388858318.db2.gz ALKDDWUCEOFGDY-NXEZZACHSA-N -1 3 242.319 0.840 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCC1CC1 ZINC000523757784 388859289 /nfs/dbraw/zinc/85/92/89/388859289.db2.gz ZLVUGZHHORXPNF-SNVBAGLBSA-N -1 3 237.303 0.805 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCC(O)CC1 ZINC000541891654 388873603 /nfs/dbraw/zinc/87/36/03/388873603.db2.gz JSIMHYHTGPUIER-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCC(O)CC1 ZINC000541891654 388873606 /nfs/dbraw/zinc/87/36/06/388873606.db2.gz JSIMHYHTGPUIER-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCC(O)CC1 ZINC000541891654 388873607 /nfs/dbraw/zinc/87/36/07/388873607.db2.gz JSIMHYHTGPUIER-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM CCO[C@@H]1C[C@@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000555972730 388864145 /nfs/dbraw/zinc/86/41/45/388864145.db2.gz LYRMVSVRBXBMNU-VHSXEESVSA-N -1 3 246.270 0.865 20 0 BCADHM CCO[C@@H]1C[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000555972730 388864147 /nfs/dbraw/zinc/86/41/47/388864147.db2.gz LYRMVSVRBXBMNU-VHSXEESVSA-N -1 3 246.270 0.865 20 0 BCADHM CCO[C@@H]1C[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000555972730 388864148 /nfs/dbraw/zinc/86/41/48/388864148.db2.gz LYRMVSVRBXBMNU-VHSXEESVSA-N -1 3 246.270 0.865 20 0 BCADHM O=S(=O)(CC[C@H]1CCCCO1)c1ncn[n-]1 ZINC000541760718 388866943 /nfs/dbraw/zinc/86/69/43/388866943.db2.gz LAJMRUPSMQMRPL-MRVPVSSYSA-N -1 3 245.304 0.538 20 0 BCADHM O=S(=O)(CC[C@H]1CCCCO1)c1nnc[n-]1 ZINC000541760718 388866945 /nfs/dbraw/zinc/86/69/45/388866945.db2.gz LAJMRUPSMQMRPL-MRVPVSSYSA-N -1 3 245.304 0.538 20 0 BCADHM CN(CC(=O)[O-])C(=O)[C@@H](N)CC1CCCCC1 ZINC000302367895 388846731 /nfs/dbraw/zinc/84/67/31/388846731.db2.gz KPJQPXLYOMNUTH-JTQLQIEISA-N -1 3 242.319 0.827 20 0 BCADHM CCC[C@@H](C)[C@H](CO)NC(=O)c1c[n-]nn1 ZINC000564660923 388883245 /nfs/dbraw/zinc/88/32/45/388883245.db2.gz BLFNMTBBEFMMQK-APPZFPTMSA-N -1 3 226.280 0.332 20 0 BCADHM CCC[C@@H](C)[C@H](CO)NC(=O)c1cn[n-]n1 ZINC000564660923 388883254 /nfs/dbraw/zinc/88/32/54/388883254.db2.gz BLFNMTBBEFMMQK-APPZFPTMSA-N -1 3 226.280 0.332 20 0 BCADHM CCC[C@@H](C)[C@H](CO)NC(=O)c1cnn[n-]1 ZINC000564660923 388883250 /nfs/dbraw/zinc/88/32/50/388883250.db2.gz BLFNMTBBEFMMQK-APPZFPTMSA-N -1 3 226.280 0.332 20 0 BCADHM [O-]c1cccnc1CN1CCSC[C@@H]1CO ZINC000564737447 388886719 /nfs/dbraw/zinc/88/67/19/388886719.db2.gz ZODXUYCEBMEKNY-VIFPVBQESA-N -1 3 240.328 0.697 20 0 BCADHM [O-]c1cccnc1CN1CCSC[C@H]1CO ZINC000564737446 388887331 /nfs/dbraw/zinc/88/73/31/388887331.db2.gz ZODXUYCEBMEKNY-SECBINFHSA-N -1 3 240.328 0.697 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCCOCC1 ZINC000565211734 388925480 /nfs/dbraw/zinc/92/54/80/388925480.db2.gz DFTCXACUKGAIKN-UHFFFAOYSA-N -1 3 236.271 0.579 20 0 BCADHM CN1CC=C(CNC(=O)c2ncccc2[O-])CC1 ZINC000271831202 389026568 /nfs/dbraw/zinc/02/65/68/389026568.db2.gz OXVSNJNBVFVEOF-UHFFFAOYSA-N -1 3 247.298 0.779 20 0 BCADHM CN(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000049209109 322817299 /nfs/dbraw/zinc/81/72/99/322817299.db2.gz RJQPQQDWHWEHDI-UHFFFAOYSA-N -1 3 233.227 0.664 20 0 BCADHM COc1ccc(C)nc1NC(=O)c1cnn[n-]1 ZINC000174791228 533418292 /nfs/dbraw/zinc/41/82/92/533418292.db2.gz WGJRTMSRQFKKJI-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1ccc(C)nc1NC(=O)c1c[n-]nn1 ZINC000174791228 533418296 /nfs/dbraw/zinc/41/82/96/533418296.db2.gz WGJRTMSRQFKKJI-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1ccc(C)nc1NC(=O)c1cn[n-]n1 ZINC000174791228 533418299 /nfs/dbraw/zinc/41/82/99/533418299.db2.gz WGJRTMSRQFKKJI-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COC(=O)C[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000471640030 533604448 /nfs/dbraw/zinc/60/44/48/533604448.db2.gz UFVQYYJBERZQCQ-RXMQYKEDSA-N -1 3 244.272 0.530 20 0 BCADHM O=C(c1nnc[n-]1)N1C[C@H](O)Cc2ccccc21 ZINC000279163874 132208910 /nfs/dbraw/zinc/20/89/10/132208910.db2.gz BRWUOKIEYVNXBA-SECBINFHSA-N -1 3 244.254 0.369 20 0 BCADHM O=C(c1nc[n-]n1)N1C[C@H](O)Cc2ccccc21 ZINC000279163874 132208913 /nfs/dbraw/zinc/20/89/13/132208913.db2.gz BRWUOKIEYVNXBA-SECBINFHSA-N -1 3 244.254 0.369 20 0 BCADHM O=C(c1nnc[n-]1)N1C[C@@H](O)Cc2ccccc21 ZINC000279163877 132208969 /nfs/dbraw/zinc/20/89/69/132208969.db2.gz BRWUOKIEYVNXBA-VIFPVBQESA-N -1 3 244.254 0.369 20 0 BCADHM O=C(c1nc[n-]n1)N1C[C@@H](O)Cc2ccccc21 ZINC000279163877 132208970 /nfs/dbraw/zinc/20/89/70/132208970.db2.gz BRWUOKIEYVNXBA-VIFPVBQESA-N -1 3 244.254 0.369 20 0 BCADHM C[C@@H]1CCCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000341934477 132226893 /nfs/dbraw/zinc/22/68/93/132226893.db2.gz MUZIUKXPFLPONU-SSDOTTSWSA-N -1 3 232.291 0.953 20 0 BCADHM C[C@@H]1CN(c2nc3nncc-3c(O)[n-]2)CCO1 ZINC000329175600 132244048 /nfs/dbraw/zinc/24/40/48/132244048.db2.gz MLVJCVAVVNLZLY-ZCFIWIBFSA-N -1 3 235.247 0.284 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CCOCC1 ZINC000000337151 132313524 /nfs/dbraw/zinc/31/35/24/132313524.db2.gz LAQHIYGNINOCTJ-UHFFFAOYSA-N -1 3 215.640 0.672 20 0 BCADHM CC(C)OCC[N-]S(=O)(=O)c1ccccn1 ZINC000352042435 134045460 /nfs/dbraw/zinc/04/54/60/134045460.db2.gz PEWJFMDSBUHMFA-UHFFFAOYSA-N -1 3 244.316 0.785 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@@](F)(CO)C1 ZINC000336024576 134056857 /nfs/dbraw/zinc/05/68/57/134056857.db2.gz QFLCZWZWXPEPTE-LBPRGKRZSA-N -1 3 239.246 0.939 20 0 BCADHM CC1=CCCN(C(=O)c2cn(C)c(=O)[n-]c2=O)C1 ZINC000336164215 134112164 /nfs/dbraw/zinc/11/21/64/134112164.db2.gz PLYFAXVIHSFLLU-UHFFFAOYSA-N -1 3 249.270 0.278 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-]CC(=O)OC ZINC000172086794 134261526 /nfs/dbraw/zinc/26/15/26/134261526.db2.gz WUEGKSQFCUCFLD-ZETCQYMHSA-N -1 3 223.294 0.125 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-]Cc1noc(C)n1 ZINC000173399904 134274238 /nfs/dbraw/zinc/27/42/38/134274238.db2.gz OPTCAJQKULFESE-ZETCQYMHSA-N -1 3 247.320 0.844 20 0 BCADHM CCc1ccc([O-])c(C(=O)NCCC(N)=O)c1 ZINC000175435067 134287153 /nfs/dbraw/zinc/28/71/53/134287153.db2.gz POKOLFGCQBHBQI-UHFFFAOYSA-N -1 3 236.271 0.560 20 0 BCADHM CCC[C@H](C)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176757574 134294099 /nfs/dbraw/zinc/29/40/99/134294099.db2.gz WTKMBSHXAFSUOV-QMMMGPOBSA-N -1 3 240.307 0.583 20 0 BCADHM Cc1nc([N-]C(=O)c2cncs2)n[nH]1 ZINC000221238609 134322662 /nfs/dbraw/zinc/32/26/62/134322662.db2.gz KELJLVYVLDGLFN-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM COc1nnc(NC(=O)C[C@@H](C)SC)[n-]1 ZINC000182982509 134349846 /nfs/dbraw/zinc/34/98/46/134349846.db2.gz JJHUNGLPDVTWLS-RXMQYKEDSA-N -1 3 230.293 0.893 20 0 BCADHM COc1nc(NC(=O)C[C@@H](C)SC)n[n-]1 ZINC000182982509 134349847 /nfs/dbraw/zinc/34/98/47/134349847.db2.gz JJHUNGLPDVTWLS-RXMQYKEDSA-N -1 3 230.293 0.893 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@@H](C)SC)n1 ZINC000182982509 134349848 /nfs/dbraw/zinc/34/98/48/134349848.db2.gz JJHUNGLPDVTWLS-RXMQYKEDSA-N -1 3 230.293 0.893 20 0 BCADHM Cc1cc(C(=O)NCCCC(N)=O)ccc1[O-] ZINC000227018814 134373546 /nfs/dbraw/zinc/37/35/46/134373546.db2.gz VNKLSZJXYZPGKL-UHFFFAOYSA-N -1 3 236.271 0.696 20 0 BCADHM CNC(=O)[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227020175 134373636 /nfs/dbraw/zinc/37/36/36/134373636.db2.gz ZSNCSDAWNUDROD-MRVPVSSYSA-N -1 3 236.271 0.565 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@H]1Cc2ccccc2O1 ZINC000185464350 134380575 /nfs/dbraw/zinc/38/05/75/134380575.db2.gz MTRBCLVDAALUJF-SNVBAGLBSA-N -1 3 244.254 0.757 20 0 BCADHM CC(C)(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000078688792 135140021 /nfs/dbraw/zinc/14/00/21/135140021.db2.gz VVSRPIOVTIRPPY-UHFFFAOYSA-N -1 3 203.267 0.487 20 0 BCADHM O=S(=O)([N-][C@H]1CCOC1)c1ccccc1F ZINC000087784884 135169420 /nfs/dbraw/zinc/16/94/20/135169420.db2.gz UORDZGIACPFXIF-QMMMGPOBSA-N -1 3 245.275 0.893 20 0 BCADHM CC(C)[C@@H](NC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000261568154 135210642 /nfs/dbraw/zinc/21/06/42/135210642.db2.gz FJRBBAGLBPEUON-SNVBAGLBSA-N -1 3 230.308 0.552 20 0 BCADHM CC(C)[C@H](C(=O)N(C)[C@H](C)C(=O)[O-])N(C)C ZINC000261569108 135211277 /nfs/dbraw/zinc/21/12/77/135211277.db2.gz GCYLWCYMCKJSND-RKDXNWHRSA-N -1 3 230.308 0.504 20 0 BCADHM CC[C@H](C)CN(C)CC(=O)NCC(=O)[O-] ZINC000261585142 135225645 /nfs/dbraw/zinc/22/56/45/135225645.db2.gz QFZGHHMZZKEZED-QMMMGPOBSA-N -1 3 216.281 0.165 20 0 BCADHM COCCN1CCN([C@H](C)C(=O)[O-])C[C@@H]1C ZINC000261587617 135228111 /nfs/dbraw/zinc/22/81/11/135228111.db2.gz RVMRYZLAXQILJK-VHSXEESVSA-N -1 3 230.308 0.112 20 0 BCADHM C[C@H]1CCC[C@@H](N(C)CC(=O)NCC(=O)[O-])C1 ZINC000262147463 135282381 /nfs/dbraw/zinc/28/23/81/135282381.db2.gz AGTAOWVAOQFHJR-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM CN(C(=O)c1cccc([O-])c1)[C@H]1COC[C@H]1O ZINC000342494729 135283312 /nfs/dbraw/zinc/28/33/12/135283312.db2.gz VIRPBMMQHWNNIB-WDEREUQCSA-N -1 3 237.255 0.224 20 0 BCADHM CN(CC(=O)NCC(=O)[O-])C1CCCCCC1 ZINC000262172781 135283592 /nfs/dbraw/zinc/28/35/92/135283592.db2.gz DLUGQLZJHSWPQM-UHFFFAOYSA-N -1 3 242.319 0.842 20 0 BCADHM C[C@H]1CCCN(CC(=O)NCC(=O)[O-])CC1 ZINC000262170968 135283871 /nfs/dbraw/zinc/28/38/71/135283871.db2.gz DFGVUXHTVHYMRY-VIFPVBQESA-N -1 3 228.292 0.309 20 0 BCADHM CCCCN(CC(=O)NCC(=O)[O-])C1CC1 ZINC000262243727 135287121 /nfs/dbraw/zinc/28/71/21/135287121.db2.gz PFNDNPLIUBZPFC-UHFFFAOYSA-N -1 3 228.292 0.452 20 0 BCADHM O=C([O-])CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000262247843 135287541 /nfs/dbraw/zinc/28/75/41/135287541.db2.gz OYUJEDBCOSRYOH-NSHDSACASA-N -1 3 248.282 0.634 20 0 BCADHM CC(C)[C@@H]1CCN(CC(=O)NCC(=O)[O-])C1 ZINC000262261004 135287914 /nfs/dbraw/zinc/28/79/14/135287914.db2.gz SEMDFLBMVXXHLT-SECBINFHSA-N -1 3 228.292 0.165 20 0 BCADHM CC[C@@H]1CN([C@@H](C)C(=O)[O-])CCN1C[C@@H](C)O ZINC000262273520 135288705 /nfs/dbraw/zinc/28/87/05/135288705.db2.gz UESLWGWLQJKFIO-OUAUKWLOSA-N -1 3 244.335 0.237 20 0 BCADHM O=C([O-])CNC(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000262208389 135290884 /nfs/dbraw/zinc/29/08/84/135290884.db2.gz JJEOBVFEENETHL-ZJUUUORDSA-N -1 3 240.303 0.452 20 0 BCADHM C[C@H]1CC[C@H](C)N1CC(=O)NCCCC(=O)[O-] ZINC000262744868 135316812 /nfs/dbraw/zinc/31/68/12/135316812.db2.gz KBMSTZNQSHIJND-UWVGGRQHSA-N -1 3 242.319 0.840 20 0 BCADHM Cn1cc(C(=O)N[C@@H]2C=CCCC2)c(=O)[n-]c1=O ZINC000334310832 135350617 /nfs/dbraw/zinc/35/06/17/135350617.db2.gz KYXGIBSRGQLLCT-MRVPVSSYSA-N -1 3 249.270 0.324 20 0 BCADHM Cn1ccnc1C[N-]S(=O)(=O)c1ccoc1 ZINC000334373238 135376510 /nfs/dbraw/zinc/37/65/10/135376510.db2.gz SOSJLAJLRGXUDB-UHFFFAOYSA-N -1 3 241.272 0.492 20 0 BCADHM CN(Cc1nc[nH]n1)C(=O)c1cncc([O-])c1 ZINC000080524946 135379249 /nfs/dbraw/zinc/37/92/49/135379249.db2.gz JAQIVORGVDEVHO-UHFFFAOYSA-N -1 3 233.231 0.178 20 0 BCADHM CN(Cc1nnc[nH]1)C(=O)c1cncc([O-])c1 ZINC000080524946 135379250 /nfs/dbraw/zinc/37/92/50/135379250.db2.gz JAQIVORGVDEVHO-UHFFFAOYSA-N -1 3 233.231 0.178 20 0 BCADHM C[C@@H]1CC[C@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000334405698 135394341 /nfs/dbraw/zinc/39/43/41/135394341.db2.gz QDLDSNNUBXQLOA-HTRCEHHLSA-N -1 3 237.259 0.014 20 0 BCADHM Cc1ncc(CNC(=O)C2CC2)c(=O)[n-]1 ZINC000345093701 135881045 /nfs/dbraw/zinc/88/10/45/135881045.db2.gz MVKUOZYRKOITAS-UHFFFAOYSA-N -1 3 207.233 0.517 20 0 BCADHM Cc1nn(C)cc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000347864880 136016473 /nfs/dbraw/zinc/01/64/73/136016473.db2.gz OARALIUWBZSZQH-UHFFFAOYSA-N -1 3 243.274 0.380 20 0 BCADHM CCOC[C@H](NCc1nc(=O)n(C)[n-]1)C(C)C ZINC000348469678 136079942 /nfs/dbraw/zinc/07/99/42/136079942.db2.gz OGIYPLVQWLUULM-VIFPVBQESA-N -1 3 242.323 0.259 20 0 BCADHM C[C@H](O)C(C)(C)NC(=O)c1ccc(O)cc1[O-] ZINC000167134689 397800954 /nfs/dbraw/zinc/80/09/54/397800954.db2.gz UOXDCRRSHJUNFQ-ZETCQYMHSA-N -1 3 239.271 0.987 20 0 BCADHM C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1cccs1 ZINC000360510028 397966265 /nfs/dbraw/zinc/96/62/65/397966265.db2.gz ULEOIWOEMYBOKB-LURJTMIESA-N -1 3 248.329 0.290 20 0 BCADHM Cc1nsc([N-]C(=O)c2cnccn2)n1 ZINC000170213612 398034143 /nfs/dbraw/zinc/03/41/43/398034143.db2.gz UHPDNSCOZICNIP-UHFFFAOYSA-N -1 3 221.245 0.889 20 0 BCADHM COc1cc(C(=O)N[C@H](C)CCO)ccc1[O-] ZINC000272672089 397983331 /nfs/dbraw/zinc/98/33/31/397983331.db2.gz WEKXFPGQULYSHF-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2COC(=O)N2)n1 ZINC000283270921 398070840 /nfs/dbraw/zinc/07/08/40/398070840.db2.gz NIMWAOLMNVCCII-LURJTMIESA-N -1 3 237.215 0.143 20 0 BCADHM Cn1[n-]c(CNC2(C3CCC3)CC2)nc1=O ZINC000649810474 398117035 /nfs/dbraw/zinc/11/70/35/398117035.db2.gz MKWBCTVVXWJXJJ-UHFFFAOYSA-N -1 3 222.292 0.531 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)CC(N)=O)c1 ZINC000135388468 398134541 /nfs/dbraw/zinc/13/45/41/398134541.db2.gz NVPDTIMLPQEKAQ-QMMMGPOBSA-N -1 3 236.271 0.694 20 0 BCADHM COCCCCS(=O)(=O)[N-]CC(F)F ZINC000185003530 174205805 /nfs/dbraw/zinc/20/58/05/174205805.db2.gz QBZBUNYNCOCNMU-UHFFFAOYSA-N -1 3 231.264 0.598 20 0 BCADHM CCC1(C(=O)NCCc2c(C)[n-][nH]c2=O)CC1 ZINC000530915672 322898502 /nfs/dbraw/zinc/89/85/02/322898502.db2.gz KLUWAJWSUPXHTD-SECBINFHSA-N -1 3 237.303 0.805 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000120752579 490068583 /nfs/dbraw/zinc/06/85/83/490068583.db2.gz VFSTVTIBSYVCIN-RITPCOANSA-N -1 3 242.304 0.484 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000120752579 490068586 /nfs/dbraw/zinc/06/85/86/490068586.db2.gz VFSTVTIBSYVCIN-RITPCOANSA-N -1 3 242.304 0.484 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000120752579 490068589 /nfs/dbraw/zinc/06/85/89/490068589.db2.gz VFSTVTIBSYVCIN-RITPCOANSA-N -1 3 242.304 0.484 20 0 BCADHM C[C@H](Cc1ccccn1)NC(=O)c1c[n-]nn1 ZINC000655309547 409884693 /nfs/dbraw/zinc/88/46/93/409884693.db2.gz QUSNAGSSEWTKQR-MRVPVSSYSA-N -1 3 231.259 0.561 20 0 BCADHM C[C@H](Cc1ccccn1)NC(=O)c1cnn[n-]1 ZINC000655309547 409884700 /nfs/dbraw/zinc/88/47/00/409884700.db2.gz QUSNAGSSEWTKQR-MRVPVSSYSA-N -1 3 231.259 0.561 20 0 BCADHM C[C@H](Cc1ccccn1)NC(=O)c1cn[n-]n1 ZINC000655309547 409884707 /nfs/dbraw/zinc/88/47/07/409884707.db2.gz QUSNAGSSEWTKQR-MRVPVSSYSA-N -1 3 231.259 0.561 20 0 BCADHM CO[C@@H]1C[C@@H](NC(=O)c2c[n-]nn2)C12CCC2 ZINC000655318206 409891717 /nfs/dbraw/zinc/89/17/17/409891717.db2.gz BTEYFWBUGITRHG-RKDXNWHRSA-N -1 3 236.275 0.492 20 0 BCADHM CO[C@@H]1C[C@@H](NC(=O)c2cnn[n-]2)C12CCC2 ZINC000655318206 409891724 /nfs/dbraw/zinc/89/17/24/409891724.db2.gz BTEYFWBUGITRHG-RKDXNWHRSA-N -1 3 236.275 0.492 20 0 BCADHM CO[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)C12CCC2 ZINC000655318206 409891728 /nfs/dbraw/zinc/89/17/28/409891728.db2.gz BTEYFWBUGITRHG-RKDXNWHRSA-N -1 3 236.275 0.492 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]Cc1conc1C ZINC000632397737 410735231 /nfs/dbraw/zinc/73/52/31/410735231.db2.gz KAKGEWQIUZRGLR-ZETCQYMHSA-N -1 3 248.304 0.437 20 0 BCADHM CC(=O)NCC(=O)Nc1ccc(C)cc1[O-] ZINC000040413285 410871285 /nfs/dbraw/zinc/87/12/85/410871285.db2.gz FXVOSOKCZSRUEI-UHFFFAOYSA-N -1 3 222.244 0.775 20 0 BCADHM CC(C)OCC(=O)NCc1ncccc1[O-] ZINC000352518816 167190117 /nfs/dbraw/zinc/19/01/17/167190117.db2.gz ZOHNAOPEQFBFJN-UHFFFAOYSA-N -1 3 224.260 0.828 20 0 BCADHM CC(C)[C@@H](NC(=O)C1CCN(C)CC1)C(=O)[O-] ZINC000049474877 167424533 /nfs/dbraw/zinc/42/45/33/167424533.db2.gz PAWCKRWCYJZNQB-SNVBAGLBSA-N -1 3 242.319 0.554 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H](CO)CCF)n1 ZINC000652017336 410983340 /nfs/dbraw/zinc/98/33/40/410983340.db2.gz UFLKTRJUZSKGGH-SECBINFHSA-N -1 3 228.267 0.906 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3C[C@H]4CC[C@@H]3O4)c1-2 ZINC000651406319 410989105 /nfs/dbraw/zinc/98/91/05/410989105.db2.gz MYIKUCGVZXSMCM-VDAHYXPESA-N -1 3 231.259 0.458 20 0 BCADHM O[C@@H]1CCOC[C@H]1[N-]c1nnc(C2CC2)o1 ZINC000631528624 411138321 /nfs/dbraw/zinc/13/83/21/411138321.db2.gz BXNGLLUTSARNBS-HTQZYQBOSA-N -1 3 225.248 0.509 20 0 BCADHM CC(C)[C@@H](CNC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000655565017 411153427 /nfs/dbraw/zinc/15/34/27/411153427.db2.gz IFEFZJDWCQNHSW-SNVBAGLBSA-N -1 3 244.335 0.800 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c([O-])c1 ZINC000652792752 411180733 /nfs/dbraw/zinc/18/07/33/411180733.db2.gz KDYXRXDRALXASK-DTORHVGOSA-N -1 3 248.282 0.694 20 0 BCADHM Cc1cccc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1[O-] ZINC000652797416 411184928 /nfs/dbraw/zinc/18/49/28/411184928.db2.gz KPBMGOHQRZZCGY-DTORHVGOSA-N -1 3 248.282 0.694 20 0 BCADHM CC(C)N(C)CC(=O)N(CC(=O)[O-])C1CCC1 ZINC000655589590 411166719 /nfs/dbraw/zinc/16/67/19/411166719.db2.gz BCCJMKSKOWDPPW-UHFFFAOYSA-N -1 3 242.319 0.792 20 0 BCADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CC(=O)N1 ZINC000612629921 411263298 /nfs/dbraw/zinc/26/32/98/411263298.db2.gz BRHIPBLPAXLWAN-QMMMGPOBSA-N -1 3 238.218 0.036 20 0 BCADHM O=C1[N-]C(=O)N2CCN(CCC3CCC3)C[C@@H]12 ZINC000660148247 411264094 /nfs/dbraw/zinc/26/40/94/411264094.db2.gz TXXJUWKIHUPALR-JTQLQIEISA-N -1 3 237.303 0.413 20 0 BCADHM COC[C@H](CN1CCSC[C@@H]1C(=O)[O-])OC ZINC000659789242 411278531 /nfs/dbraw/zinc/27/85/31/411278531.db2.gz ABHUJFGBJFGEQX-DTWKUNHWSA-N -1 3 249.332 0.150 20 0 BCADHM CC[C@@H](C)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652508569 411260754 /nfs/dbraw/zinc/26/07/54/411260754.db2.gz HUYAHPGCAHBTFB-IWSPIJDZSA-N -1 3 201.266 0.959 20 0 BCADHM OCc1nnc([N-]Cc2ccnn2CC2CC2)o1 ZINC000656773614 411354618 /nfs/dbraw/zinc/35/46/18/411354618.db2.gz XVGGSKSJJXYLOP-UHFFFAOYSA-N -1 3 249.274 0.781 20 0 BCADHM C[C@H](CCO)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000652958932 411364410 /nfs/dbraw/zinc/36/44/10/411364410.db2.gz VBKHADYEQJXBCA-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM C[C@H](CCO)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000652958932 411364412 /nfs/dbraw/zinc/36/44/12/411364412.db2.gz VBKHADYEQJXBCA-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM C[C@H](CCO)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000652958932 411364415 /nfs/dbraw/zinc/36/44/15/411364415.db2.gz VBKHADYEQJXBCA-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM CC1(CNC(=O)c2ccc(O)cc2[O-])COC1 ZINC000112616542 168037912 /nfs/dbraw/zinc/03/79/12/168037912.db2.gz GYAFMCSRUDONRT-UHFFFAOYSA-N -1 3 237.255 0.864 20 0 BCADHM CC1(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)CCCC1 ZINC000049123997 168057308 /nfs/dbraw/zinc/05/73/08/168057308.db2.gz DOWDSWAFFSEZGL-ZETCQYMHSA-N -1 3 239.275 0.033 20 0 BCADHM CC1(O)CN(C(=O)c2ccccc2[O-])C1 ZINC000084352088 168070260 /nfs/dbraw/zinc/07/02/60/168070260.db2.gz JCOAJJXGYJERGU-UHFFFAOYSA-N -1 3 207.229 0.599 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC000653343275 411381289 /nfs/dbraw/zinc/38/12/89/411381289.db2.gz RNUNXNCMDHSGGF-NXEZZACHSA-N -1 3 244.335 0.894 20 0 BCADHM C[C@@H]1CCCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662200351 411375935 /nfs/dbraw/zinc/37/59/35/411375935.db2.gz HUKWIZNVUXMECG-NXEZZACHSA-N -1 3 240.303 0.546 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)CC1CCOCC1 ZINC000331182731 168209434 /nfs/dbraw/zinc/20/94/34/168209434.db2.gz RWBQYMXAHCNACO-UHFFFAOYSA-N -1 3 249.332 0.312 20 0 BCADHM CC[C@@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000657016962 411392927 /nfs/dbraw/zinc/39/29/27/411392927.db2.gz KYNREKCUVCEGBK-SSDOTTSWSA-N -1 3 219.262 0.329 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)c1 ZINC000657053680 411397355 /nfs/dbraw/zinc/39/73/55/411397355.db2.gz RTIDDNSANHIWOU-PSASIEDQSA-N -1 3 241.316 0.641 20 0 BCADHM O=S(=O)([N-]C/C=C\CO)c1ccco1 ZINC000657085224 411404883 /nfs/dbraw/zinc/40/48/83/411404883.db2.gz STQVFRKIDJEFEF-UPHRSURJSA-N -1 3 217.246 0.106 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC[C@H](O)C2)n1 ZINC000268208077 411422848 /nfs/dbraw/zinc/42/28/48/411422848.db2.gz JOKUNDLQDHLAAN-VIFPVBQESA-N -1 3 223.276 0.311 20 0 BCADHM CCN1CC[C@@H](Sc2n[n-]c(CO)n2)C1=O ZINC000657258538 411432346 /nfs/dbraw/zinc/43/23/46/411432346.db2.gz KWRIUQDJWNTQPX-ZCFIWIBFSA-N -1 3 242.304 0.010 20 0 BCADHM Cc1nn(Cc2cc(=O)[n-]c(C3CC3)n2)c(=O)o1 ZINC000657279940 411441113 /nfs/dbraw/zinc/44/11/13/411441113.db2.gz YEXAUGOCFPIXSO-UHFFFAOYSA-N -1 3 248.242 0.566 20 0 BCADHM C[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000655561297 411511000 /nfs/dbraw/zinc/51/10/00/411511000.db2.gz YXWSVXUAIIATJX-LPEHRKFASA-N -1 3 242.319 0.696 20 0 BCADHM CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655562088 411516079 /nfs/dbraw/zinc/51/60/79/411516079.db2.gz RPEDJKGYDGVWST-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM C[C@H](O)C1([N-]S(=O)(=O)c2cscn2)CC1 ZINC000660046990 411530602 /nfs/dbraw/zinc/53/06/02/411530602.db2.gz QRMXMKKYGKYNNS-LURJTMIESA-N -1 3 248.329 0.335 20 0 BCADHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)[O-] ZINC000368139241 170024768 /nfs/dbraw/zinc/02/47/68/170024768.db2.gz OLMYLGIKSGNIFW-BDAKNGLRSA-N -1 3 226.276 0.156 20 0 BCADHM CCN1C[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000341126716 170034423 /nfs/dbraw/zinc/03/44/23/170034423.db2.gz LQQBIIMUVSSHFA-BDAKNGLRSA-N -1 3 239.323 0.425 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C2CC(C)(C)C2)c1 ZINC000660123132 411540625 /nfs/dbraw/zinc/54/06/25/411540625.db2.gz BQKPOKLVNUJRQO-UHFFFAOYSA-N -1 3 243.332 0.887 20 0 BCADHM CCNC(=O)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000042209854 170087393 /nfs/dbraw/zinc/08/73/93/170087393.db2.gz AXJXSFAVZHIFRP-MRVPVSSYSA-N -1 3 236.271 0.647 20 0 BCADHM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000331182898 170087989 /nfs/dbraw/zinc/08/79/89/170087989.db2.gz XQMODZMFKNSLHV-SSDOTTSWSA-N -1 3 246.288 0.083 20 0 BCADHM Cc1ccc([O-])c(CNC/C=C\CO)n1 ZINC000657592264 411556436 /nfs/dbraw/zinc/55/64/36/411556436.db2.gz HRDXPWVSEFCKOD-IHWYPQMZSA-N -1 3 208.261 0.734 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)CC(C)(C)C ZINC000080192296 170226035 /nfs/dbraw/zinc/22/60/35/170226035.db2.gz GATXVBAAEUCYJW-UHFFFAOYSA-N -1 3 237.321 0.515 20 0 BCADHM CCOC(=O)c1ccc(NC(=O)CN)c([O-])c1 ZINC000074467222 170295949 /nfs/dbraw/zinc/29/59/49/170295949.db2.gz GNWQYRMQLBBFAL-UHFFFAOYSA-N -1 3 238.243 0.466 20 0 BCADHM CCOC1CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000294742408 170336116 /nfs/dbraw/zinc/33/61/16/170336116.db2.gz IHAIRZHLLROYFX-UHFFFAOYSA-N -1 3 237.255 0.959 20 0 BCADHM CCOCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267860757 170348020 /nfs/dbraw/zinc/34/80/20/170348020.db2.gz SNSHSTQAJYHJSR-UHFFFAOYSA-N -1 3 227.220 0.171 20 0 BCADHM CCOCCC[N-]S(=O)(=O)c1ccccn1 ZINC000340082639 170381183 /nfs/dbraw/zinc/38/11/83/170381183.db2.gz NOBVMLLRBLYBHH-UHFFFAOYSA-N -1 3 244.316 0.787 20 0 BCADHM Cn1[n-]c([C@@H]2CCCN2Cc2cn[nH]c2)nc1=N ZINC000660470960 411590809 /nfs/dbraw/zinc/59/08/09/411590809.db2.gz PSALFMNNPKYSJQ-VIFPVBQESA-N -1 3 247.306 0.288 20 0 BCADHM COc1cnc(C(=O)[N-]c2cc(C)on2)nc1 ZINC000338614699 411763400 /nfs/dbraw/zinc/76/34/00/411763400.db2.gz QJDBHNCMSFAPRJ-UHFFFAOYSA-N -1 3 234.215 1.034 20 0 BCADHM CCc1cc(NC(=O)c2cnn[n-]2)no1 ZINC000606887044 411765298 /nfs/dbraw/zinc/76/52/98/411765298.db2.gz BQEMNRULGVFUPE-UHFFFAOYSA-N -1 3 207.193 0.607 20 0 BCADHM CCc1cc(NC(=O)c2c[n-]nn2)no1 ZINC000606887044 411765300 /nfs/dbraw/zinc/76/53/00/411765300.db2.gz BQEMNRULGVFUPE-UHFFFAOYSA-N -1 3 207.193 0.607 20 0 BCADHM CCc1cc(NC(=O)c2cn[n-]n2)no1 ZINC000606887044 411765301 /nfs/dbraw/zinc/76/53/01/411765301.db2.gz BQEMNRULGVFUPE-UHFFFAOYSA-N -1 3 207.193 0.607 20 0 BCADHM Cc1nc([N-]C(=O)c2ccsn2)nn1C ZINC000622614498 411773036 /nfs/dbraw/zinc/77/30/36/411773036.db2.gz QEOOHXSMPZTLJP-UHFFFAOYSA-N -1 3 223.261 0.832 20 0 BCADHM Cc1ncc(CNC(=O)Nc2ccon2)c(=O)[n-]1 ZINC000350033585 411782195 /nfs/dbraw/zinc/78/21/95/411782195.db2.gz CWLPISUADPHJOF-UHFFFAOYSA-N -1 3 249.230 0.800 20 0 BCADHM Cc1ncc(CNc2nnc(C)c(C)n2)c(=O)[n-]1 ZINC000359770248 411782403 /nfs/dbraw/zinc/78/24/03/411782403.db2.gz UJMOORLMRBLZLX-UHFFFAOYSA-N -1 3 246.274 0.905 20 0 BCADHM C[C@@H](O)CCSc1nc2nncc-2c(O)[n-]1 ZINC000663944162 411784735 /nfs/dbraw/zinc/78/47/35/411784735.db2.gz CFSWMHCJPPHQOG-RXMQYKEDSA-N -1 3 240.288 0.922 20 0 BCADHM CC[C@@H](C(N)=O)N1CCC(C(=O)[O-])CC1 ZINC000061678110 170674510 /nfs/dbraw/zinc/67/45/10/170674510.db2.gz HGPJAQGVMYVJHV-QMMMGPOBSA-N -1 3 214.265 0.047 20 0 BCADHM Cc1nnc([N-]CC(=O)NC2CCCCC2)o1 ZINC000340025212 411796463 /nfs/dbraw/zinc/79/64/63/411796463.db2.gz QLSKLFCUCIJOHO-UHFFFAOYSA-N -1 3 238.291 1.239 20 0 BCADHM CC/C=C\CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000450696377 411887570 /nfs/dbraw/zinc/88/75/70/411887570.db2.gz SHHAGTNXOHUBSR-ARJAWSKDSA-N -1 3 218.264 0.687 20 0 BCADHM CC1(C)CC[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000553705411 411888945 /nfs/dbraw/zinc/88/89/45/411888945.db2.gz DEZKSSRWWWHPLK-SSDOTTSWSA-N -1 3 232.291 0.909 20 0 BCADHM CO[C@H]1CC[C@@H](N=c2nc3[nH][n-]cc-3c(N)n2)C1 ZINC000350685067 411898548 /nfs/dbraw/zinc/89/85/48/411898548.db2.gz NHOFANFYZHSDCZ-RQJHMYQMSA-N -1 3 248.290 0.288 20 0 BCADHM CCCCN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000336706139 411900855 /nfs/dbraw/zinc/90/08/55/411900855.db2.gz RIDDBRCZVOWNBY-UHFFFAOYSA-N -1 3 206.253 0.521 20 0 BCADHM CCC[C@H]1C[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000517266574 411914814 /nfs/dbraw/zinc/91/48/14/411914814.db2.gz HZUVMDJUVCODAK-XPUUQOCRSA-N -1 3 232.291 0.909 20 0 BCADHM CN(CC1CN(C)C1)c1nc2nncc-2c(O)[n-]1 ZINC000664329825 411922568 /nfs/dbraw/zinc/92/25/68/411922568.db2.gz DQYZCUYNUGTYGO-UHFFFAOYSA-N -1 3 248.290 0.056 20 0 BCADHM Nc1nc(=N[C@@H]2CCC[C@H]2F)nc2[nH][n-]cc1-2 ZINC000338824762 411924028 /nfs/dbraw/zinc/92/40/28/411924028.db2.gz QHGNRQIXIGEPLH-RNFRBKRXSA-N -1 3 236.254 0.611 20 0 BCADHM Cc1ocnc1CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354571450 411924328 /nfs/dbraw/zinc/92/43/28/411924328.db2.gz PSQATXOCSGIRGF-UHFFFAOYSA-N -1 3 245.246 0.217 20 0 BCADHM Nc1nc(=N[C@H]2C[C@@H]2C(F)F)nc2[nH][n-]cc1-2 ZINC000566932500 411926942 /nfs/dbraw/zinc/92/69/42/411926942.db2.gz ZZJCIDCAYHQOCX-UCORVYFPSA-N -1 3 240.217 0.374 20 0 BCADHM CC(C)CCCN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354524963 411868729 /nfs/dbraw/zinc/86/87/29/411868729.db2.gz WDQBUUWKPZBXEM-UHFFFAOYSA-N -1 3 234.307 1.157 20 0 BCADHM CC[C@@H](C)[C@H](C)N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354596457 411878354 /nfs/dbraw/zinc/87/83/54/411878354.db2.gz OJGCQOYZRYDYFY-RQJHMYQMSA-N -1 3 234.307 1.155 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662203432 412024011 /nfs/dbraw/zinc/02/40/11/412024011.db2.gz DQRNZIFQPMNLBS-BBBLOLIVSA-N -1 3 240.303 0.545 20 0 BCADHM CN(CC(C)(C)C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662201077 412024176 /nfs/dbraw/zinc/02/41/76/412024176.db2.gz FXTZCSGBEHQEDN-VIFPVBQESA-N -1 3 242.319 0.650 20 0 BCADHM C[C@@H]1C[C@H](C)N([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662202474 412024280 /nfs/dbraw/zinc/02/42/80/412024280.db2.gz BHDYFIGCEXSTNL-KXUCPTDWSA-N -1 3 240.303 0.402 20 0 BCADHM CCN(CC1CC1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662203945 412024330 /nfs/dbraw/zinc/02/43/30/412024330.db2.gz FVNQCWRGZXLGAC-JTQLQIEISA-N -1 3 240.303 0.404 20 0 BCADHM CCCN(CC)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662205359 412025655 /nfs/dbraw/zinc/02/56/55/412025655.db2.gz XWVULNXETBGBIF-SECBINFHSA-N -1 3 228.292 0.404 20 0 BCADHM CCC[C@@H](C)N(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662205706 412026433 /nfs/dbraw/zinc/02/64/33/412026433.db2.gz ZGVHKBFPLAJWBS-ZJUUUORDSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H]1C[C@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000281686722 171140634 /nfs/dbraw/zinc/14/06/34/171140634.db2.gz BEVBNROXMIZNCQ-HTRCEHHLSA-N -1 3 237.259 0.014 20 0 BCADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000280753242 171142149 /nfs/dbraw/zinc/14/21/49/171142149.db2.gz MPVFERSABAQDEK-HTQZYQBOSA-N -1 3 229.305 0.497 20 0 BCADHM CC[C@@](C)(O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000087038031 171182744 /nfs/dbraw/zinc/18/27/44/171182744.db2.gz NJRLQMQCWXNYAW-GFCCVEGCSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@H](C)CN(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000111629064 171269197 /nfs/dbraw/zinc/26/91/97/171269197.db2.gz LSXQINFKMQOJEM-QMMMGPOBSA-N -1 3 241.291 0.043 20 0 BCADHM CC[C@H](C)CN(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000179165731 171270245 /nfs/dbraw/zinc/27/02/45/171270245.db2.gz PDTGTAWRAYHCOC-YUMQZZPRSA-N -1 3 241.291 0.089 20 0 BCADHM Cc1ccc(NC(=O)[C@@H]2CN(C)C(=O)N2)c([O-])c1 ZINC000665202381 412134097 /nfs/dbraw/zinc/13/40/97/412134097.db2.gz AVZNDHBRMSNLLE-VIFPVBQESA-N -1 3 249.270 0.663 20 0 BCADHM Cc1ccc(NC(=O)C[C@H]2CC(=O)N2)c([O-])c1 ZINC000665202389 412134739 /nfs/dbraw/zinc/13/47/39/412134739.db2.gz BEXZYMAZLLONFQ-MRVPVSSYSA-N -1 3 234.255 0.918 20 0 BCADHM CC(C)c1nnc([N-][C@@H]2COCC[C@H]2O)o1 ZINC000631529047 412324259 /nfs/dbraw/zinc/32/42/59/412324259.db2.gz FVGZWRQIPYLVMH-HTQZYQBOSA-N -1 3 227.264 0.755 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)nc(C)n1 ZINC000548691783 412333708 /nfs/dbraw/zinc/33/37/08/412333708.db2.gz QAVHECPSEKEQQJ-SNVBAGLBSA-N -1 3 247.302 1.017 20 0 BCADHM CCC(C)(C)c1nnc([N-][C@H](CO)COC)o1 ZINC000641545566 412336589 /nfs/dbraw/zinc/33/65/89/412336589.db2.gz DXBKZRQFHFTYJM-MRVPVSSYSA-N -1 3 243.307 1.176 20 0 BCADHM CCC(C)(C)c1nnc([N-][C@@H](CO)COC)o1 ZINC000641545567 412336692 /nfs/dbraw/zinc/33/66/92/412336692.db2.gz DXBKZRQFHFTYJM-QMMMGPOBSA-N -1 3 243.307 1.176 20 0 BCADHM CC(C)CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662752916 412291585 /nfs/dbraw/zinc/29/15/85/412291585.db2.gz LKYMWUWOFRBXKZ-UHFFFAOYSA-N -1 3 238.291 0.303 20 0 BCADHM CC(C)CC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662752916 412291587 /nfs/dbraw/zinc/29/15/87/412291587.db2.gz LKYMWUWOFRBXKZ-UHFFFAOYSA-N -1 3 238.291 0.303 20 0 BCADHM O=C(Nc1cccc(Cl)c1[O-])C1(O)CNC1 ZINC000662790160 412303123 /nfs/dbraw/zinc/30/31/23/412303123.db2.gz MAIYDSHHXZIIPZ-UHFFFAOYSA-N -1 3 242.662 0.318 20 0 BCADHM CCc1nn(C)cc1NC(=O)c1nc[n-]n1 ZINC000222994360 172042989 /nfs/dbraw/zinc/04/29/89/172042989.db2.gz MYDLLEJREHVNQG-UHFFFAOYSA-N -1 3 220.236 0.353 20 0 BCADHM CCc1noc([C@@H](C)[N-]S(C)(=O)=O)n1 ZINC000340196964 172088592 /nfs/dbraw/zinc/08/85/92/172088592.db2.gz XXEKXXINLDROKV-RXMQYKEDSA-N -1 3 219.266 0.242 20 0 BCADHM CCn1cc(C(=O)NCc2ncccc2[O-])cn1 ZINC000352511219 172155387 /nfs/dbraw/zinc/15/53/87/172155387.db2.gz XHZMUMZBPWJVBP-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM CCn1cc([N-]S(=O)(=O)N(C)C)cn1 ZINC000151943429 172186558 /nfs/dbraw/zinc/18/65/58/172186558.db2.gz RISDPFCMEHGOQE-UHFFFAOYSA-N -1 3 218.282 0.121 20 0 BCADHM CCn1cnnc1[N-]C(=O)COc1cccnc1 ZINC000285995726 172237660 /nfs/dbraw/zinc/23/76/60/172237660.db2.gz YBPZVMVIRFQVJA-UHFFFAOYSA-N -1 3 247.258 0.711 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@](C)(O)C1CC1 ZINC000287735388 172238325 /nfs/dbraw/zinc/23/83/25/172238325.db2.gz LVNNYBSWAFTGQJ-JTQLQIEISA-N -1 3 224.264 0.398 20 0 BCADHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCOC1 ZINC000106839642 172340783 /nfs/dbraw/zinc/34/07/83/172340783.db2.gz XDAPUSKUCJQBEA-SECBINFHSA-N -1 3 246.270 0.819 20 0 BCADHM CN(C)C(=O)CCNC(=O)c1cccc([O-])c1 ZINC000045010661 172360009 /nfs/dbraw/zinc/36/00/09/172360009.db2.gz IQLHNDSSVOOAMY-UHFFFAOYSA-N -1 3 236.271 0.600 20 0 BCADHM CN(C)C(=O)CNCc1cc([O-])cc(F)c1 ZINC000159589913 172370179 /nfs/dbraw/zinc/37/01/79/172370179.db2.gz ZPYSYODZZSDWCY-UHFFFAOYSA-N -1 3 226.251 0.709 20 0 BCADHM CN(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000355863808 172391741 /nfs/dbraw/zinc/39/17/41/172391741.db2.gz MHMDCYMECNDBRG-UHFFFAOYSA-N -1 3 220.232 0.376 20 0 BCADHM CN1CCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000331030919 173025861 /nfs/dbraw/zinc/02/58/61/173025861.db2.gz ZDYNFPXUJGONKG-SNVBAGLBSA-N -1 3 235.287 0.498 20 0 BCADHM CN1CCN(C(=O)c2cncc([O-])c2)C(C)(C)C1 ZINC000285673544 173072503 /nfs/dbraw/zinc/07/25/03/173072503.db2.gz PMWCYZUDJVZJPU-UHFFFAOYSA-N -1 3 249.314 0.953 20 0 BCADHM CN1CC[C@@H](C(=O)Nc2ccncc2[O-])CC1=O ZINC000358357193 173110978 /nfs/dbraw/zinc/11/09/78/173110978.db2.gz QOMXOSONDWMYSD-MRVPVSSYSA-N -1 3 249.270 0.016 20 0 BCADHM CN1C[C@H](NC(=O)c2ccccc2[O-])CCC1=O ZINC000078835078 173193893 /nfs/dbraw/zinc/19/38/93/173193893.db2.gz YVJDQXHXBMRUQN-SECBINFHSA-N -1 3 248.282 0.743 20 0 BCADHM CN1C[C@H](NCc2cc([O-])cc(F)c2)CC1=O ZINC000274433537 173195215 /nfs/dbraw/zinc/19/52/15/173195215.db2.gz NDMWNYLKZXVJCK-SNVBAGLBSA-N -1 3 238.262 0.852 20 0 BCADHM CNC(=O)CC(=O)Nc1nc(C)ccc1[O-] ZINC000331050757 173232986 /nfs/dbraw/zinc/23/29/86/173232986.db2.gz IGRUHOQQQPQEMV-UHFFFAOYSA-N -1 3 223.232 0.170 20 0 BCADHM CNC(=O)CCCNC(=O)c1cccc([O-])c1 ZINC000272736650 173241072 /nfs/dbraw/zinc/24/10/72/173241072.db2.gz LBKZQLKPEHKXOB-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM CNC(=O)CO[N-]C(=O)Cc1ccc(C)cc1 ZINC000177577753 173278970 /nfs/dbraw/zinc/27/89/70/173278970.db2.gz QLSAYEQTSGMYPO-UHFFFAOYSA-N -1 3 236.271 0.331 20 0 BCADHM CNC(=O)[C@H](C)[N-]c1noc(C(C)(C)C)n1 ZINC000309643467 173304465 /nfs/dbraw/zinc/30/44/65/173304465.db2.gz LKNVDDFANNBTSV-LURJTMIESA-N -1 3 226.280 0.914 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@@H](C)C1CC1 ZINC000297755623 173315174 /nfs/dbraw/zinc/31/51/74/173315174.db2.gz ONVZKMSVDPIXND-YFKPBYRVSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@@H](C)C1CC1 ZINC000297755623 173315176 /nfs/dbraw/zinc/31/51/76/173315176.db2.gz ONVZKMSVDPIXND-YFKPBYRVSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@@H](C)C1CC1 ZINC000297755623 173315178 /nfs/dbraw/zinc/31/51/78/173315178.db2.gz ONVZKMSVDPIXND-YFKPBYRVSA-N -1 3 237.263 0.149 20 0 BCADHM COC(=O)[C@@H](CF)NC(=O)c1ccccc1[O-] ZINC000288031666 173700238 /nfs/dbraw/zinc/70/02/38/173700238.db2.gz CXQBJXKNCDMPSM-MRVPVSSYSA-N -1 3 241.218 0.633 20 0 BCADHM CC[C@@H](C(=O)[O-])N1CCN([C@@H]2CCOC2)CC1 ZINC000662226952 487628099 /nfs/dbraw/zinc/62/80/99/487628099.db2.gz MPNIMDWUPHSGNJ-MNOVXSKESA-N -1 3 242.319 0.256 20 0 BCADHM COCC(C)(C)CNC(=O)c1c[n-]nn1 ZINC000293630166 174069693 /nfs/dbraw/zinc/06/96/93/174069693.db2.gz FJIHPFVHRYGQCP-UHFFFAOYSA-N -1 3 212.253 0.207 20 0 BCADHM COCC(C)(C)CNC(=O)c1cnn[n-]1 ZINC000293630166 174069695 /nfs/dbraw/zinc/06/96/95/174069695.db2.gz FJIHPFVHRYGQCP-UHFFFAOYSA-N -1 3 212.253 0.207 20 0 BCADHM COCC(C)(C)CNC(=O)c1cn[n-]n1 ZINC000293630166 174069697 /nfs/dbraw/zinc/06/96/97/174069697.db2.gz FJIHPFVHRYGQCP-UHFFFAOYSA-N -1 3 212.253 0.207 20 0 BCADHM COCC(C)(C)[N-]S(=O)(=O)c1ccco1 ZINC000188663531 174082497 /nfs/dbraw/zinc/08/24/97/174082497.db2.gz POPSMXSUCLJFLQ-UHFFFAOYSA-N -1 3 233.289 0.983 20 0 BCADHM COCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000171392197 174138065 /nfs/dbraw/zinc/13/80/65/174138065.db2.gz FJAUTZYPTFSYCZ-UHFFFAOYSA-N -1 3 238.169 0.799 20 0 BCADHM COCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000171392197 174138067 /nfs/dbraw/zinc/13/80/67/174138067.db2.gz FJAUTZYPTFSYCZ-UHFFFAOYSA-N -1 3 238.169 0.799 20 0 BCADHM COCCCC(=O)Nc1nnc(OC)[n-]1 ZINC000126815825 174168252 /nfs/dbraw/zinc/16/82/52/174168252.db2.gz JCAZSJYOCXRJAP-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM COCCCC(=O)Nc1n[n-]c(OC)n1 ZINC000126815825 174168254 /nfs/dbraw/zinc/16/82/54/174168254.db2.gz JCAZSJYOCXRJAP-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM COCCCC(=O)Nc1nc(OC)n[n-]1 ZINC000126815825 174168255 /nfs/dbraw/zinc/16/82/55/174168255.db2.gz JCAZSJYOCXRJAP-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM COCCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330661538 174248243 /nfs/dbraw/zinc/24/82/43/174248243.db2.gz SYTHLPPCMPJAAY-UHFFFAOYSA-N -1 3 233.289 0.903 20 0 BCADHM COCCCO[N-]C(=O)CCc1ncc[nH]1 ZINC000287648468 174255253 /nfs/dbraw/zinc/25/52/53/174255253.db2.gz CGTLYIWZKSNERI-UHFFFAOYSA-N -1 3 227.264 0.427 20 0 BCADHM COCCN(CCN1CCCCC1)CC(=O)[O-] ZINC000049607320 174291881 /nfs/dbraw/zinc/29/18/81/174291881.db2.gz GGRVVJGGPANMRU-UHFFFAOYSA-N -1 3 244.335 0.505 20 0 BCADHM COCCOCCNC(=O)c1ccccc1[O-] ZINC000044414047 174357063 /nfs/dbraw/zinc/35/70/63/174357063.db2.gz FFPFXMLXIHXICI-UHFFFAOYSA-N -1 3 239.271 0.785 20 0 BCADHM COCCS(=O)(=O)[N-]Cc1nccs1 ZINC000170663741 174373196 /nfs/dbraw/zinc/37/31/96/174373196.db2.gz LDQMBZWMDKJIAW-UHFFFAOYSA-N -1 3 236.318 0.209 20 0 BCADHM COCCS(=O)(=O)[N-][C@H](C)c1nc(C)no1 ZINC000330417386 174373414 /nfs/dbraw/zinc/37/34/14/174373414.db2.gz DUMTZMRSUNVWKB-ZCFIWIBFSA-N -1 3 249.292 0.005 20 0 BCADHM COCCSc1ncc(C(=O)OC)[n-]1 ZINC000274964466 174377781 /nfs/dbraw/zinc/37/77/81/174377781.db2.gz VLYRMKJKSHRDQS-UHFFFAOYSA-N -1 3 216.262 0.935 20 0 BCADHM CO[C@H](C)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000331276297 174835321 /nfs/dbraw/zinc/83/53/21/174835321.db2.gz NZXREVFZNANMBE-MRVPVSSYSA-N -1 3 233.289 0.901 20 0 BCADHM COc1ccc(C(=O)N2CC(O)C2)c([O-])c1 ZINC000062808676 175056376 /nfs/dbraw/zinc/05/63/76/175056376.db2.gz HKLBAXDIJFYGSE-UHFFFAOYSA-N -1 3 223.228 0.218 20 0 BCADHM COc1ccc(C(=O)N2CC[C@H](O)C2)c([O-])c1 ZINC000061704534 175058039 /nfs/dbraw/zinc/05/80/39/175058039.db2.gz SUDFXEUZCWKNCJ-QMMMGPOBSA-N -1 3 237.255 0.608 20 0 BCADHM COc1ccc(C(=O)NC(C)(C)CO)c([O-])c1 ZINC000035608647 175058570 /nfs/dbraw/zinc/05/85/70/175058570.db2.gz WMOHDZBORBXVSZ-UHFFFAOYSA-N -1 3 239.271 0.902 20 0 BCADHM COc1ccc(C(=O)NC[C@H](C)CO)c([O-])c1 ZINC000086627258 175060040 /nfs/dbraw/zinc/06/00/40/175060040.db2.gz GTMWWJLDPPLZQB-QMMMGPOBSA-N -1 3 239.271 0.759 20 0 BCADHM COc1ccc(C(=O)NC[C@@H](C)CO)c([O-])c1 ZINC000086627260 175060569 /nfs/dbraw/zinc/06/05/69/175060569.db2.gz GTMWWJLDPPLZQB-MRVPVSSYSA-N -1 3 239.271 0.759 20 0 BCADHM COc1ccc(CNC2(C(=O)[O-])CC2)cn1 ZINC000336733730 175105897 /nfs/dbraw/zinc/10/58/97/175105897.db2.gz GQOGZXNIFPEPSA-UHFFFAOYSA-N -1 3 222.244 0.797 20 0 BCADHM COc1ccc([O-])c(C(=O)NCCC(N)=O)c1 ZINC000043327966 175157550 /nfs/dbraw/zinc/15/75/50/175157550.db2.gz VKGGJEKEIXRMCS-UHFFFAOYSA-N -1 3 238.243 0.006 20 0 BCADHM COc1cccc(C(=O)N2CC(OC)C2)c1[O-] ZINC000310171687 175243513 /nfs/dbraw/zinc/24/35/13/175243513.db2.gz UDMQPBQEQQHZCA-UHFFFAOYSA-N -1 3 237.255 0.872 20 0 BCADHM COc1cccc(C(=O)NCCC(N)=O)c1[O-] ZINC000036747601 175244696 /nfs/dbraw/zinc/24/46/96/175244696.db2.gz BXNOFWXOQNBZPO-UHFFFAOYSA-N -1 3 238.243 0.006 20 0 BCADHM COc1cccc([C@@H](C)NCc2nc(=O)[n-][nH]2)c1 ZINC000271606411 175287954 /nfs/dbraw/zinc/28/79/54/175287954.db2.gz AOOVMAOFYWSWLT-MRVPVSSYSA-N -1 3 248.286 0.957 20 0 BCADHM COc1cncc(C(=O)Nc2ncccc2[O-])n1 ZINC000359900420 175383829 /nfs/dbraw/zinc/38/38/29/175383829.db2.gz NFUGSGMKZUMWDL-UHFFFAOYSA-N -1 3 246.226 0.838 20 0 BCADHM COc1cncc(C(=O)[N-]c2nc(C)n(C)n2)n1 ZINC000293598330 175384258 /nfs/dbraw/zinc/38/42/58/175384258.db2.gz CSINSCQPELABNY-UHFFFAOYSA-N -1 3 248.246 0.174 20 0 BCADHM COc1nnc(NC(=O)C2(O)CCCC2)[n-]1 ZINC000183008403 175393202 /nfs/dbraw/zinc/39/32/02/175393202.db2.gz VKROTVINTLLIDF-UHFFFAOYSA-N -1 3 226.236 0.057 20 0 BCADHM COc1nc(NC(=O)C2(O)CCCC2)n[n-]1 ZINC000183008403 175393203 /nfs/dbraw/zinc/39/32/03/175393203.db2.gz VKROTVINTLLIDF-UHFFFAOYSA-N -1 3 226.236 0.057 20 0 BCADHM COc1n[n-]c(NC(=O)C2(O)CCCC2)n1 ZINC000183008403 175393204 /nfs/dbraw/zinc/39/32/04/175393204.db2.gz VKROTVINTLLIDF-UHFFFAOYSA-N -1 3 226.236 0.057 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCO[C@H](C)C2)[n-]1 ZINC000272399809 175393521 /nfs/dbraw/zinc/39/35/21/175393521.db2.gz DOXWVFWOOHUAIG-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCO[C@H](C)C2)n[n-]1 ZINC000272399809 175393523 /nfs/dbraw/zinc/39/35/23/175393523.db2.gz DOXWVFWOOHUAIG-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCO[C@H](C)C2)n1 ZINC000272399809 175393525 /nfs/dbraw/zinc/39/35/25/175393525.db2.gz DOXWVFWOOHUAIG-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)CC2CCOCC2)[n-]1 ZINC000179369866 175393731 /nfs/dbraw/zinc/39/37/31/175393731.db2.gz MUSWZRHWTQWQSC-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nc(NC(=O)CC2CCOCC2)n[n-]1 ZINC000179369866 175393733 /nfs/dbraw/zinc/39/37/33/175393733.db2.gz MUSWZRHWTQWQSC-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COc1n[n-]c(NC(=O)CC2CCOCC2)n1 ZINC000179369866 175393735 /nfs/dbraw/zinc/39/37/35/175393735.db2.gz MUSWZRHWTQWQSC-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nnc(NC(=O)CCCOC(C)C)[n-]1 ZINC000183872344 175394245 /nfs/dbraw/zinc/39/42/45/175394245.db2.gz YFXLHKCISWXYHW-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM COc1nc(NC(=O)CCCOC(C)C)n[n-]1 ZINC000183872344 175394247 /nfs/dbraw/zinc/39/42/47/175394247.db2.gz YFXLHKCISWXYHW-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM COc1n[n-]c(NC(=O)CCCOC(C)C)n1 ZINC000183872344 175394249 /nfs/dbraw/zinc/39/42/49/175394249.db2.gz YFXLHKCISWXYHW-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM COc1nnc(NC(=O)CC[C@H](C)OC)[n-]1 ZINC000164105874 175394620 /nfs/dbraw/zinc/39/46/20/175394620.db2.gz MWZUVAXOGYXJSV-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM COc1nc(NC(=O)CC[C@H](C)OC)n[n-]1 ZINC000164105874 175394623 /nfs/dbraw/zinc/39/46/23/175394623.db2.gz MWZUVAXOGYXJSV-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)CC[C@H](C)OC)n1 ZINC000164105874 175394624 /nfs/dbraw/zinc/39/46/24/175394624.db2.gz MWZUVAXOGYXJSV-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@](C)(OC)C2CC2)[n-]1 ZINC000291752922 175394678 /nfs/dbraw/zinc/39/46/78/175394678.db2.gz URMSIRLUZVCBNJ-SNVBAGLBSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@](C)(OC)C2CC2)n[n-]1 ZINC000291752922 175394681 /nfs/dbraw/zinc/39/46/81/175394681.db2.gz URMSIRLUZVCBNJ-SNVBAGLBSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@](C)(OC)C2CC2)n1 ZINC000291752922 175394682 /nfs/dbraw/zinc/39/46/82/175394682.db2.gz URMSIRLUZVCBNJ-SNVBAGLBSA-N -1 3 240.263 0.567 20 0 BCADHM C[C@@H](Cn1cncn1)NC(=O)c1cccc([O-])c1 ZINC000272854660 175785352 /nfs/dbraw/zinc/78/53/52/175785352.db2.gz SZFNDQGMHYMTTK-VIFPVBQESA-N -1 3 246.270 0.802 20 0 BCADHM C[C@@H](NC(N)=O)C(=O)Nc1ccccc1[O-] ZINC000301945711 175855910 /nfs/dbraw/zinc/85/59/10/175855910.db2.gz NSFGCMOUNXRSCO-ZCFIWIBFSA-N -1 3 223.232 0.388 20 0 BCADHM C[C@H](CNC(=O)C(=O)[O-])N1CCC[C@@H](C)C1 ZINC000336755680 176103552 /nfs/dbraw/zinc/10/35/52/176103552.db2.gz XVICGZDJFMOADG-RKDXNWHRSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@@H]1CCCN1c1nc2[nH][n-]cc-2c(=N)n1 ZINC000336685967 176111923 /nfs/dbraw/zinc/11/19/23/176111923.db2.gz UKDPYBMIIIBXAX-ZCFIWIBFSA-N -1 3 218.264 0.706 20 0 BCADHM C[C@@H]1CCC[C@]1(O)CN=c1ncnc2[nH][n-]cc1-2 ZINC000338810453 176152019 /nfs/dbraw/zinc/15/20/19/176152019.db2.gz LUXZABGKHYLUAC-PELKAZGASA-N -1 3 247.302 0.689 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)NCc2ncccc2[O-])CO1 ZINC000331022168 176358576 /nfs/dbraw/zinc/35/85/76/176358576.db2.gz QABZQEUDWJJYHX-RKDXNWHRSA-N -1 3 236.271 0.828 20 0 BCADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000355741772 176366090 /nfs/dbraw/zinc/36/60/90/176366090.db2.gz LGAQGYLXXAJHQP-OPRDCNLKSA-N -1 3 238.335 0.975 20 0 BCADHM C[C@H]1C(=O)NCCN1C(=O)c1ccccc1[O-] ZINC000106359747 177059146 /nfs/dbraw/zinc/05/91/46/177059146.db2.gz XTWAXWRCPCMFMD-QMMMGPOBSA-N -1 3 234.255 0.353 20 0 BCADHM C[C@H]1CCC[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC000328675973 177126802 /nfs/dbraw/zinc/12/68/02/177126802.db2.gz RGNZCDCJDIEEGB-YUMQZZPRSA-N -1 3 210.281 0.387 20 0 BCADHM C[C@H]1CCC[C@H](C)N1Cc1nc(=O)n(C)[n-]1 ZINC000336343599 177132685 /nfs/dbraw/zinc/13/26/85/177132685.db2.gz DVPWNYPUQMHXFG-IUCAKERBSA-N -1 3 224.308 0.871 20 0 BCADHM C[C@H]1CCNC(=O)[C@H]1NC(=O)c1cccc([O-])c1 ZINC000195174448 177173508 /nfs/dbraw/zinc/17/35/08/177173508.db2.gz SIXYUNDBLJIGRW-KWQFWETISA-N -1 3 248.282 0.647 20 0 BCADHM C[C@@H]1CN(C(=O)c2cncc([O-])c2)[C@@H](C)CN1C ZINC000340007113 177238756 /nfs/dbraw/zinc/23/87/56/177238756.db2.gz VFKGEHUVGQTEAN-ZJUUUORDSA-N -1 3 249.314 0.952 20 0 BCADHM C[C@H]1CN(Cc2cc([O-])cc(F)c2)CC(=O)N1 ZINC000294968928 177260979 /nfs/dbraw/zinc/26/09/79/177260979.db2.gz IUBSGFFHCKURGR-QMMMGPOBSA-N -1 3 238.262 0.852 20 0 BCADHM C[C@@H]1C[C@H](C)[C@H](C)N(Cc2nn(C)c(=O)[n-]2)C1 ZINC000355741773 177314679 /nfs/dbraw/zinc/31/46/79/177314679.db2.gz LGAQGYLXXAJHQP-UTLUCORTSA-N -1 3 238.335 0.975 20 0 BCADHM C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000355741770 177315835 /nfs/dbraw/zinc/31/58/35/177315835.db2.gz LGAQGYLXXAJHQP-KXUCPTDWSA-N -1 3 238.335 0.975 20 0 BCADHM C[C@@H]1C[C@H](C)CN1c1nc2[nH][n-]cc-2c(=N)n1 ZINC000354597623 177319927 /nfs/dbraw/zinc/31/99/27/177319927.db2.gz QLNPVLKGSJPKRX-NKWVEPMBSA-N -1 3 232.291 0.952 20 0 BCADHM C[C@H]1C[C@H](O)CN1C(=O)c1cccc([O-])c1 ZINC000335835401 177374194 /nfs/dbraw/zinc/37/41/94/177374194.db2.gz IHBOGCVDHRETIF-KWQFWETISA-N -1 3 221.256 0.988 20 0 BCADHM O=C(C=Cc1cncc([O-])c1)NCc1cc[nH]n1 ZINC000492523203 226012606 /nfs/dbraw/zinc/01/26/06/226012606.db2.gz WFZIORRMEBRKHO-OWOJBTEDSA-N -1 3 244.254 0.840 20 0 BCADHM O=C(/C=C/c1cccnc1)[N-]O[C@@H]1CCOC1 ZINC000492499140 226008428 /nfs/dbraw/zinc/00/84/28/226008428.db2.gz FVIAFUOSDSLQIF-PGLGOXFNSA-N -1 3 234.255 0.932 20 0 BCADHM Cc1ccc(/C=C/C(=O)[N-]OCCO)o1 ZINC000492715055 226041034 /nfs/dbraw/zinc/04/10/34/226041034.db2.gz KHZIXRSPAHDNDM-SNAWJCMRSA-N -1 3 211.217 0.641 20 0 BCADHM O=C(/C=C/c1cncs1)[N-]OCCCO ZINC000493119724 226132614 /nfs/dbraw/zinc/13/26/14/226132614.db2.gz HKTAXGNPSGGQOU-NSCUHMNNSA-N -1 3 228.273 0.587 20 0 BCADHM O=C(C=CC1CCCC1)Nc1nnn[n-]1 ZINC000493256322 226167775 /nfs/dbraw/zinc/16/77/75/226167775.db2.gz LGGWPAASBDDISV-WAYWQWQTSA-N -1 3 207.237 0.885 20 0 BCADHM O=C(C=CC1CCCC1)Nc1nn[n-]n1 ZINC000493256322 226167779 /nfs/dbraw/zinc/16/77/79/226167779.db2.gz LGGWPAASBDDISV-WAYWQWQTSA-N -1 3 207.237 0.885 20 0 BCADHM O=C(/C=C\C1CCCC1)Nc1nn[n-]n1 ZINC000493256322 226167781 /nfs/dbraw/zinc/16/77/81/226167781.db2.gz LGGWPAASBDDISV-WAYWQWQTSA-N -1 3 207.237 0.885 20 0 BCADHM C[C@H](CO)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000493360712 226195388 /nfs/dbraw/zinc/19/53/88/226195388.db2.gz WLZDTJCEWLIHNU-CDAZIORVSA-N -1 3 236.271 0.640 20 0 BCADHM Cn1ccc(/C=C\C(=O)[N-]O[C@@H]2CCOC2)c1 ZINC000493842978 226256823 /nfs/dbraw/zinc/25/68/23/226256823.db2.gz IOXGHNGMIUATJM-OTDNITJGSA-N -1 3 236.271 0.875 20 0 BCADHM CCN1CCC[C@H]1CNC(=O)C(C)(C)C(=O)[O-] ZINC000215091238 487663760 /nfs/dbraw/zinc/66/37/60/487663760.db2.gz ZAIZFFGLKSOTIK-VIFPVBQESA-N -1 3 242.319 0.698 20 0 BCADHM Cc1n[nH]c(C(C)C)c1C(=O)NCc1nnn[n-]1 ZINC000680879180 487664026 /nfs/dbraw/zinc/66/40/26/487664026.db2.gz OVPNWIKGQITPDT-UHFFFAOYSA-N -1 3 249.278 0.285 20 0 BCADHM Cc1n[nH]c(C(C)C)c1C(=O)NCc1nn[n-]n1 ZINC000680879180 487664030 /nfs/dbraw/zinc/66/40/30/487664030.db2.gz OVPNWIKGQITPDT-UHFFFAOYSA-N -1 3 249.278 0.285 20 0 BCADHM O=C([O-])C[C@H]1COCCN1CC1CCC1 ZINC000087507620 487665285 /nfs/dbraw/zinc/66/52/85/487665285.db2.gz CFHNEMWXDFFQPB-JTQLQIEISA-N -1 3 213.277 0.962 20 0 BCADHM CC(C)[C@@H](CNC(=O)[C@H]1CCCCN1)C(=O)[O-] ZINC000087513054 487665758 /nfs/dbraw/zinc/66/57/58/487665758.db2.gz FSYWNGQLNKYXKN-NXEZZACHSA-N -1 3 242.319 0.602 20 0 BCADHM Nc1nc([C@@H]2CCN(CC(F)F)C2)cc(=O)[n-]1 ZINC000630378841 487687251 /nfs/dbraw/zinc/68/72/51/487687251.db2.gz MQZRFEGETRGIRI-ZCFIWIBFSA-N -1 3 244.245 0.819 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NCc1ncc[nH]1 ZINC000492365774 262916360 /nfs/dbraw/zinc/91/63/60/262916360.db2.gz RGFZHKDXSGCCSP-OWOJBTEDSA-N -1 3 244.254 0.840 20 0 BCADHM CN(CC(=O)[O-])C(=O)[C@H](N)CC1CCCCC1 ZINC000302367899 262918042 /nfs/dbraw/zinc/91/80/42/262918042.db2.gz KPJQPXLYOMNUTH-SNVBAGLBSA-N -1 3 242.319 0.827 20 0 BCADHM CCCCCN(CCO)Cc1nc(=O)n(C)[n-]1 ZINC000353477067 487723838 /nfs/dbraw/zinc/72/38/38/487723838.db2.gz IUKKJBUQWQKURH-UHFFFAOYSA-N -1 3 242.323 0.093 20 0 BCADHM Cc1ccc(C(=O)NCCn2cnnc2)c([O-])c1 ZINC000381308046 487746758 /nfs/dbraw/zinc/74/67/58/487746758.db2.gz SKEAJVIQKNCDMQ-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM O=C([O-])[C@H](C1CC1)N1CCN(CC2CC2)CC1 ZINC000088795977 487750903 /nfs/dbraw/zinc/75/09/03/487750903.db2.gz XHKKHWTVCJUJAO-LBPRGKRZSA-N -1 3 238.331 0.877 20 0 BCADHM O=C([O-])[C@@H](C1CC1)N1CCN(CC2CC2)CC1 ZINC000088795978 487751032 /nfs/dbraw/zinc/75/10/32/487751032.db2.gz XHKKHWTVCJUJAO-GFCCVEGCSA-N -1 3 238.331 0.877 20 0 BCADHM CCS(=O)(=O)[N-]c1ccc(OC)nc1OC ZINC000681362733 487784913 /nfs/dbraw/zinc/78/49/13/487784913.db2.gz FKARORCRJYKNCR-UHFFFAOYSA-N -1 3 246.288 0.860 20 0 BCADHM C[C@H]1CC[C@H](CC(=O)[N-]OCCO)C1 ZINC000787290108 585905411 /nfs/dbraw/zinc/90/54/11/585905411.db2.gz BXQLRANQTPTFQB-IUCAKERBSA-N -1 3 201.266 0.853 20 0 BCADHM CSC[C@H](C)C(=O)[N-]OC(C)(C)CO ZINC000836803057 587837751 /nfs/dbraw/zinc/83/77/51/587837751.db2.gz GTTVFRZDBVAKSG-ZETCQYMHSA-N -1 3 221.322 0.804 20 0 BCADHM C[C@@H](CF)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000885414295 588278390 /nfs/dbraw/zinc/27/83/90/588278390.db2.gz VWYBEEXEVYZDIH-LURJTMIESA-N -1 3 221.257 0.056 20 0 BCADHM CCOCCO[N-]C(=O)/C=C\c1ccncn1 ZINC000492705992 528816139 /nfs/dbraw/zinc/81/61/39/528816139.db2.gz MHZWQKNPTCUPQH-ARJAWSKDSA-N -1 3 237.259 0.574 20 0 BCADHM CCOC(=O)NCCCC(=O)[N-]OCC1CC1 ZINC000496694223 529075470 /nfs/dbraw/zinc/07/54/70/529075470.db2.gz XQQOXWCRPGACNN-UHFFFAOYSA-N -1 3 244.291 0.971 20 0 BCADHM O=C(CSCCc1nnn[n-]1)C(F)F ZINC000882191157 591314695 /nfs/dbraw/zinc/31/46/95/591314695.db2.gz YPUPQBHZJQYOOY-UHFFFAOYSA-N -1 3 222.220 0.310 20 0 BCADHM O=C(CSCCc1nn[n-]n1)C(F)F ZINC000882191157 591314697 /nfs/dbraw/zinc/31/46/97/591314697.db2.gz YPUPQBHZJQYOOY-UHFFFAOYSA-N -1 3 222.220 0.310 20 0 BCADHM CCOC([O-])=NOCCOC[C@@H]1CCCO1 ZINC000496220503 529082233 /nfs/dbraw/zinc/08/22/33/529082233.db2.gz YGOSWKCVTXFJIE-VIFPVBQESA-N -1 3 233.264 0.860 20 0 BCADHM CCOC(=O)[N-]OCCOC[C@@H]1CCCO1 ZINC000496220503 529082241 /nfs/dbraw/zinc/08/22/41/529082241.db2.gz YGOSWKCVTXFJIE-VIFPVBQESA-N -1 3 233.264 0.860 20 0 BCADHM CCC[C@H](C(=O)N(C)[C@H](C)C(=O)[O-])N(C)C ZINC000820304457 598146138 /nfs/dbraw/zinc/14/61/38/598146138.db2.gz TZOASPSSMBRXNQ-RKDXNWHRSA-N -1 3 230.308 0.648 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccn(C)n1 ZINC000681734367 487849700 /nfs/dbraw/zinc/84/97/00/487849700.db2.gz WZGHFEDHHTXLPV-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCNCC1 ZINC000085413993 487872761 /nfs/dbraw/zinc/87/27/61/487872761.db2.gz SFOGNMNAVYRMGU-BDAKNGLRSA-N -1 3 240.303 0.165 20 0 BCADHM Cc1[nH]nc(C(=O)N(C)CCN(C)C)c1[O-] ZINC000676701602 487895054 /nfs/dbraw/zinc/89/50/54/487895054.db2.gz YMIFRVJXNZFGAX-UHFFFAOYSA-N -1 3 226.280 0.057 20 0 BCADHM CC(C)CN(CCN(C)C)C(=O)[C@H](C)C(=O)[O-] ZINC000229343782 487908361 /nfs/dbraw/zinc/90/83/61/487908361.db2.gz KYARSKLYRAKGEF-JTQLQIEISA-N -1 3 244.335 0.753 20 0 BCADHM O=C1[N-]C(=O)N2CCN([C@H]3C=CCCC3)C[C@@H]12 ZINC000540911733 487936925 /nfs/dbraw/zinc/93/69/25/487936925.db2.gz QEUALPQEJFVSHG-UWVGGRQHSA-N -1 3 235.287 0.331 20 0 BCADHM C[C@@H](CC(=O)Nc1ccccc1[O-])NC(N)=O ZINC000654565796 487937943 /nfs/dbraw/zinc/93/79/43/487937943.db2.gz FEPCEVWVRAPZKE-ZETCQYMHSA-N -1 3 237.259 0.778 20 0 BCADHM O=C(N[C@H](CO)CCF)c1c([O-])cccc1O ZINC000653041900 487942732 /nfs/dbraw/zinc/94/27/32/487942732.db2.gz XZQCCCFGOLLHGC-ZETCQYMHSA-N -1 3 243.234 0.548 20 0 BCADHM CC[C@H](O)CC[N-]S(=O)(=O)c1ccco1 ZINC000188768120 487949006 /nfs/dbraw/zinc/94/90/06/487949006.db2.gz WCIDRAXOBZDMOH-QMMMGPOBSA-N -1 3 233.289 0.719 20 0 BCADHM CCc1nn(C)cc1[N-]S(=O)(=O)N1CCC1 ZINC000560449965 322987264 /nfs/dbraw/zinc/98/72/64/322987264.db2.gz OTEVRAURNIXBHS-UHFFFAOYSA-N -1 3 244.320 0.345 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC2(C(N)=O)CC2)c1 ZINC000150740970 322996050 /nfs/dbraw/zinc/99/60/50/322996050.db2.gz GGTLHFGNJDCOFU-UHFFFAOYSA-N -1 3 234.255 0.448 20 0 BCADHM OCCN(CC1CC1)c1nc2nncc-2c(O)[n-]1 ZINC000561339189 323000060 /nfs/dbraw/zinc/00/00/60/323000060.db2.gz YFGRAZHHNWAHHK-UHFFFAOYSA-N -1 3 249.274 0.267 20 0 BCADHM COc1nc(NC(=O)[C@@]23C[C@@H]2CCC3)n[n-]1 ZINC000567628630 323033827 /nfs/dbraw/zinc/03/38/27/323033827.db2.gz SOPXTBIGAQGAMP-WKEGUHRASA-N -1 3 222.248 0.942 20 0 BCADHM COc1nnc(NC(=O)[C@@]23C[C@@H]2CCC3)[n-]1 ZINC000567628630 323033828 /nfs/dbraw/zinc/03/38/28/323033828.db2.gz SOPXTBIGAQGAMP-WKEGUHRASA-N -1 3 222.248 0.942 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@]23C[C@@H]2CCC3)n1 ZINC000567628630 323033829 /nfs/dbraw/zinc/03/38/29/323033829.db2.gz SOPXTBIGAQGAMP-WKEGUHRASA-N -1 3 222.248 0.942 20 0 BCADHM COc1nc(NC(=O)[C@]23C[C@H]2CCC3)n[n-]1 ZINC000567628628 323033879 /nfs/dbraw/zinc/03/38/79/323033879.db2.gz SOPXTBIGAQGAMP-LHLIQPBNSA-N -1 3 222.248 0.942 20 0 BCADHM COc1nnc(NC(=O)[C@]23C[C@H]2CCC3)[n-]1 ZINC000567628628 323033880 /nfs/dbraw/zinc/03/38/80/323033880.db2.gz SOPXTBIGAQGAMP-LHLIQPBNSA-N -1 3 222.248 0.942 20 0 BCADHM COc1n[n-]c(NC(=O)[C@]23C[C@H]2CCC3)n1 ZINC000567628628 323033881 /nfs/dbraw/zinc/03/38/81/323033881.db2.gz SOPXTBIGAQGAMP-LHLIQPBNSA-N -1 3 222.248 0.942 20 0 BCADHM CCN1CCCC[C@@H]1C(=O)N(C)CC(=O)[O-] ZINC000569810618 323041578 /nfs/dbraw/zinc/04/15/78/323041578.db2.gz MLAYZONPNUGMNG-SECBINFHSA-N -1 3 228.292 0.404 20 0 BCADHM O=C(NCCCCO)c1cccc2nn[n-]c21 ZINC000570113765 323050386 /nfs/dbraw/zinc/05/03/86/323050386.db2.gz UZZLBZHWHKNKDT-UHFFFAOYSA-N -1 3 234.259 0.460 20 0 BCADHM O=C(NCCCCO)c1cccc2[n-]nnc21 ZINC000570113765 323050387 /nfs/dbraw/zinc/05/03/87/323050387.db2.gz UZZLBZHWHKNKDT-UHFFFAOYSA-N -1 3 234.259 0.460 20 0 BCADHM O=C(NCCCCO)c1cccc2n[n-]nc21 ZINC000570113765 323050388 /nfs/dbraw/zinc/05/03/88/323050388.db2.gz UZZLBZHWHKNKDT-UHFFFAOYSA-N -1 3 234.259 0.460 20 0 BCADHM C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ncccc1[O-] ZINC000570556506 323062839 /nfs/dbraw/zinc/06/28/39/323062839.db2.gz MTPUEZNRXUSSDD-BDAKNGLRSA-N -1 3 235.287 0.544 20 0 BCADHM C[C@H]1NC(=O)CC[C@@H]1NCc1ncccc1[O-] ZINC000570556506 323062840 /nfs/dbraw/zinc/06/28/40/323062840.db2.gz MTPUEZNRXUSSDD-BDAKNGLRSA-N -1 3 235.287 0.544 20 0 BCADHM C[C@@]1(O)C[C@H](Nc2ccncc2C(=O)[O-])C1 ZINC000570572920 323063273 /nfs/dbraw/zinc/06/32/73/323063273.db2.gz DFROEHRVWTXROA-DGFRNANFSA-N -1 3 222.244 0.527 20 0 BCADHM O=S(=O)([N-]C[C@H](O)C1CC1)c1cscn1 ZINC000570679587 323066584 /nfs/dbraw/zinc/06/65/84/323066584.db2.gz QAVFILMABBLBGQ-ZETCQYMHSA-N -1 3 248.329 0.192 20 0 BCADHM CC1(CS(=O)(=O)[N-]Cc2ccno2)COC1 ZINC000570772232 323069630 /nfs/dbraw/zinc/06/96/30/323069630.db2.gz JELMNYVYIFDXPK-UHFFFAOYSA-N -1 3 246.288 0.131 20 0 BCADHM CC(C)C[C@H](CN=c1nn[n-]n1C)N(C)C ZINC000390294434 323084022 /nfs/dbraw/zinc/08/40/22/323084022.db2.gz ADCRHDCNOGTTDO-SECBINFHSA-N -1 3 226.328 0.020 20 0 BCADHM CC(C)C[C@@H](CN=c1nn[n-]n1C)N(C)C ZINC000390294436 323084046 /nfs/dbraw/zinc/08/40/46/323084046.db2.gz ADCRHDCNOGTTDO-VIFPVBQESA-N -1 3 226.328 0.020 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000531432453 323089496 /nfs/dbraw/zinc/08/94/96/323089496.db2.gz OODQXTNOPYQMHW-GMTAPVOTSA-N -1 3 249.314 0.661 20 0 BCADHM Cc1ccnc(N2CCN(C)C[C@@H](C(=O)[O-])C2)c1 ZINC000563538918 323130069 /nfs/dbraw/zinc/13/00/69/323130069.db2.gz LDCJWEAZOVYPEZ-LLVKDONJSA-N -1 3 249.314 0.843 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)c1ccccn1 ZINC000048889513 323155689 /nfs/dbraw/zinc/15/56/89/323155689.db2.gz KLECYYRNGPTIHF-ZETCQYMHSA-N -1 3 217.232 0.691 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)c1ccccn1 ZINC000048889513 323155690 /nfs/dbraw/zinc/15/56/90/323155690.db2.gz KLECYYRNGPTIHF-ZETCQYMHSA-N -1 3 217.232 0.691 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1ccccn1 ZINC000048889513 323155691 /nfs/dbraw/zinc/15/56/91/323155691.db2.gz KLECYYRNGPTIHF-ZETCQYMHSA-N -1 3 217.232 0.691 20 0 BCADHM CC(C)COCCCNC(=O)c1c[n-]nn1 ZINC000048889954 323155799 /nfs/dbraw/zinc/15/57/99/323155799.db2.gz PWMIJBWZBGVSJL-UHFFFAOYSA-N -1 3 226.280 0.597 20 0 BCADHM CC(C)COCCCNC(=O)c1cnn[n-]1 ZINC000048889954 323155800 /nfs/dbraw/zinc/15/58/00/323155800.db2.gz PWMIJBWZBGVSJL-UHFFFAOYSA-N -1 3 226.280 0.597 20 0 BCADHM CC(C)COCCCNC(=O)c1cn[n-]n1 ZINC000048889954 323155801 /nfs/dbraw/zinc/15/58/01/323155801.db2.gz PWMIJBWZBGVSJL-UHFFFAOYSA-N -1 3 226.280 0.597 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1ccccn1 ZINC000048889514 323155839 /nfs/dbraw/zinc/15/58/39/323155839.db2.gz KLECYYRNGPTIHF-SSDOTTSWSA-N -1 3 217.232 0.691 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1ccccn1 ZINC000048889514 323155840 /nfs/dbraw/zinc/15/58/40/323155840.db2.gz KLECYYRNGPTIHF-SSDOTTSWSA-N -1 3 217.232 0.691 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1ccccn1 ZINC000048889514 323155841 /nfs/dbraw/zinc/15/58/41/323155841.db2.gz KLECYYRNGPTIHF-SSDOTTSWSA-N -1 3 217.232 0.691 20 0 BCADHM C[C@@H](Sc1n[n-]c(CO)n1)C(=O)NC1CC1 ZINC000526068070 323156727 /nfs/dbraw/zinc/15/67/27/323156727.db2.gz WUTHUYRWFCRULF-RXMQYKEDSA-N -1 3 242.304 0.056 20 0 BCADHM C[C@H](CCCO)NC(=O)c1cccc2nn[n-]c21 ZINC000541891681 323161624 /nfs/dbraw/zinc/16/16/24/323161624.db2.gz AABYNSPJSKLOMY-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM C[C@H](CCCO)NC(=O)c1cccc2[n-]nnc21 ZINC000541891681 323161625 /nfs/dbraw/zinc/16/16/25/323161625.db2.gz AABYNSPJSKLOMY-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM C[C@H](CCCO)NC(=O)c1cccc2n[n-]nc21 ZINC000541891681 323161626 /nfs/dbraw/zinc/16/16/26/323161626.db2.gz AABYNSPJSKLOMY-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM CCC[C@H](C(=O)[O-])N1C[C@H](C)O[C@H](COC)C1 ZINC000563816201 323179069 /nfs/dbraw/zinc/17/90/69/323179069.db2.gz APJRCBDZZLVBLG-GARJFASQSA-N -1 3 245.319 0.975 20 0 BCADHM COC1(C)CN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000526119856 323231720 /nfs/dbraw/zinc/23/17/20/323231720.db2.gz WMTZQVSUROLOCU-UHFFFAOYSA-N -1 3 246.270 0.819 20 0 BCADHM COC1(C)CN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000526119856 323231721 /nfs/dbraw/zinc/23/17/21/323231721.db2.gz WMTZQVSUROLOCU-UHFFFAOYSA-N -1 3 246.270 0.819 20 0 BCADHM COC1(C)CN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000526119856 323231723 /nfs/dbraw/zinc/23/17/23/323231723.db2.gz WMTZQVSUROLOCU-UHFFFAOYSA-N -1 3 246.270 0.819 20 0 BCADHM CC[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(OC)n1 ZINC000395576744 323231771 /nfs/dbraw/zinc/23/17/71/323231771.db2.gz QLCYLFGUEAQSIO-PHDIDXHHSA-N -1 3 210.237 0.798 20 0 BCADHM CC[C@@H]1C[C@H]1C(=O)Nc1nnc(OC)[n-]1 ZINC000395576744 323231773 /nfs/dbraw/zinc/23/17/73/323231773.db2.gz QLCYLFGUEAQSIO-PHDIDXHHSA-N -1 3 210.237 0.798 20 0 BCADHM CC[C@@H]1C[C@H]1C(=O)Nc1nc(OC)n[n-]1 ZINC000395576744 323231774 /nfs/dbraw/zinc/23/17/74/323231774.db2.gz QLCYLFGUEAQSIO-PHDIDXHHSA-N -1 3 210.237 0.798 20 0 BCADHM Cc1nnc([C@@H](C)N=c2ncnc3[nH][n-]cc2-3)o1 ZINC000532717961 323292335 /nfs/dbraw/zinc/29/23/35/323292335.db2.gz WOWXVEMXEPBXRE-RXMQYKEDSA-N -1 3 245.246 0.591 20 0 BCADHM O=C(NCc1ncccc1[O-])N[C@H]1[C@@H]2COC[C@@H]21 ZINC000530279620 323346863 /nfs/dbraw/zinc/34/68/63/323346863.db2.gz NEFVVPZLHOYUNU-VROVMSAKSA-N -1 3 249.270 0.231 20 0 BCADHM CCn1cnnc1CNC(=O)c1ccccc1[O-] ZINC000123068505 324080375 /nfs/dbraw/zinc/08/03/75/324080375.db2.gz DZSDRRFGHFNIOV-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000529405865 324288354 /nfs/dbraw/zinc/28/83/54/324288354.db2.gz XXJRVGCTKIWZRF-GEVIPFJHSA-N -1 3 246.274 0.683 20 0 BCADHM NC(=O)C1(C(=O)Nc2ncccc2[O-])CCC1 ZINC000542165695 325011418 /nfs/dbraw/zinc/01/14/18/325011418.db2.gz KRFRXIFFQBTROH-UHFFFAOYSA-N -1 3 235.243 0.381 20 0 BCADHM COc1nc(NC(=O)Cc2ccc(C)o2)n[n-]1 ZINC000542774821 325045975 /nfs/dbraw/zinc/04/59/75/325045975.db2.gz PSMYAZQWUWCRIQ-UHFFFAOYSA-N -1 3 236.231 0.896 20 0 BCADHM COc1nnc(NC(=O)Cc2ccc(C)o2)[n-]1 ZINC000542774821 325045978 /nfs/dbraw/zinc/04/59/78/325045978.db2.gz PSMYAZQWUWCRIQ-UHFFFAOYSA-N -1 3 236.231 0.896 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2ccc(C)o2)n1 ZINC000542774821 325045981 /nfs/dbraw/zinc/04/59/81/325045981.db2.gz PSMYAZQWUWCRIQ-UHFFFAOYSA-N -1 3 236.231 0.896 20 0 BCADHM O=C(NCC1(O)CCC1)c1cccc2nn[n-]c21 ZINC000542821535 325053040 /nfs/dbraw/zinc/05/30/40/325053040.db2.gz ATRXMEZMQFXZQA-UHFFFAOYSA-N -1 3 246.270 0.603 20 0 BCADHM O=C(NCC1(O)CCC1)c1cccc2[n-]nnc21 ZINC000542821535 325053043 /nfs/dbraw/zinc/05/30/43/325053043.db2.gz ATRXMEZMQFXZQA-UHFFFAOYSA-N -1 3 246.270 0.603 20 0 BCADHM O=C(NCC1(O)CCC1)c1cccc2n[n-]nc21 ZINC000542821535 325053045 /nfs/dbraw/zinc/05/30/45/325053045.db2.gz ATRXMEZMQFXZQA-UHFFFAOYSA-N -1 3 246.270 0.603 20 0 BCADHM CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC000543995581 325126337 /nfs/dbraw/zinc/12/63/37/325126337.db2.gz RHFSGWFJJXZTFS-UHFFFAOYSA-N -1 3 245.182 0.138 20 0 BCADHM O=S(=O)([N-]Cc1ccc[nH]1)c1ccccn1 ZINC000133202719 325277122 /nfs/dbraw/zinc/27/71/22/325277122.db2.gz JIVXOHZPGCNIAW-UHFFFAOYSA-N -1 3 237.284 0.888 20 0 BCADHM CN(CCO)C(=O)NCc1ccc([O-])c(F)c1 ZINC000134049059 325340025 /nfs/dbraw/zinc/34/00/25/325340025.db2.gz UOMFWNBROPPURO-UHFFFAOYSA-N -1 3 242.250 0.665 20 0 BCADHM Cc1ccc(C(=O)N[C@@H](C)CC(N)=O)c([O-])c1 ZINC000135387432 325410382 /nfs/dbraw/zinc/41/03/82/325410382.db2.gz XDPGNQLOBMKHBG-QMMMGPOBSA-N -1 3 236.271 0.694 20 0 BCADHM CCOCCN(C)C(=O)Cc1cncc([O-])c1 ZINC000553208383 325681222 /nfs/dbraw/zinc/68/12/22/325681222.db2.gz DHUHPFZNIMZPAY-UHFFFAOYSA-N -1 3 238.287 0.825 20 0 BCADHM O=C([O-])c1cnccc1N[C@@H]1C=C[C@H](CO)C1 ZINC000565035447 325848512 /nfs/dbraw/zinc/84/85/12/325848512.db2.gz HZEUUUBRSJJHGQ-DTWKUNHWSA-N -1 3 234.255 0.551 20 0 BCADHM CCC[C@@H](C(=O)N(C)CC(=O)[O-])N(C)C ZINC000566225073 326017854 /nfs/dbraw/zinc/01/78/54/326017854.db2.gz RPCMRMQIYHMHOG-QMMMGPOBSA-N -1 3 216.281 0.260 20 0 BCADHM CC1CN(C(=O)Cc2cncc([O-])c2)C1 ZINC000566470803 326052797 /nfs/dbraw/zinc/05/27/97/326052797.db2.gz QIWANMIAODNYSN-UHFFFAOYSA-N -1 3 206.245 0.808 20 0 BCADHM CCOC(=O)NCCCC(=O)[N-]OC ZINC000155413431 326195339 /nfs/dbraw/zinc/19/53/39/326195339.db2.gz BYHGMIKPYQGZMD-UHFFFAOYSA-N -1 3 204.226 0.190 20 0 BCADHM C[C@H](C(=O)[O-])C(=O)NCCN1CCCC[C@@H]1C ZINC000568882161 326381168 /nfs/dbraw/zinc/38/11/68/326381168.db2.gz ROZVPWAWRLCMQT-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM Cc1ccc([O-])c(CN(C)Cc2cn(C)nn2)n1 ZINC000668605418 487998169 /nfs/dbraw/zinc/99/81/69/487998169.db2.gz NYHWQHDIXYDJOJ-UHFFFAOYSA-N -1 3 247.302 0.856 20 0 BCADHM CS(=O)(=O)[N-]c1ccccc1-n1cncn1 ZINC000070251289 488000752 /nfs/dbraw/zinc/00/07/52/488000752.db2.gz NDSOGXLDLIFBPJ-UHFFFAOYSA-N -1 3 238.272 0.639 20 0 BCADHM CO[C@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC000682689420 488018290 /nfs/dbraw/zinc/01/82/90/488018290.db2.gz CJKQPNYXLYJMTG-LLVKDONJSA-N -1 3 237.255 0.837 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](N)C(C)(C)C ZINC000044624902 488028328 /nfs/dbraw/zinc/02/83/28/488028328.db2.gz XRXGRPKZHSNUFL-HTQZYQBOSA-N -1 3 230.308 0.681 20 0 BCADHM CC[C@@H](CO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000035202177 488032779 /nfs/dbraw/zinc/03/27/79/488032779.db2.gz UTEZMPOHTFCBMZ-QMMMGPOBSA-N -1 3 234.259 0.459 20 0 BCADHM O=C(NCC1(CO)CC1)c1csc(=O)[n-]1 ZINC000682840867 488051951 /nfs/dbraw/zinc/05/19/51/488051951.db2.gz BHSBUUVSIXZDFF-UHFFFAOYSA-N -1 3 228.273 0.351 20 0 BCADHM C[C@]1(C(N)=O)CCN(C(=O)c2ccccc2[O-])C1 ZINC000235736443 488063035 /nfs/dbraw/zinc/06/30/35/488063035.db2.gz PPSJDOPBPWFDTG-ZDUSSCGKSA-N -1 3 248.282 0.730 20 0 BCADHM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000225569506 488078194 /nfs/dbraw/zinc/07/81/94/488078194.db2.gz GEICAZNCZZGBQE-OPRDCNLKSA-N -1 3 238.287 0.014 20 0 BCADHM O=C(NC[C@@H]1CCCNC1=O)c1ccccc1[O-] ZINC000670375323 488119655 /nfs/dbraw/zinc/11/96/55/488119655.db2.gz CWMNDWHDRPQOQJ-VIFPVBQESA-N -1 3 248.282 0.648 20 0 BCADHM CCNS(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000672429960 488133558 /nfs/dbraw/zinc/13/35/58/488133558.db2.gz XNQOWEQMVFEWOW-LURJTMIESA-N -1 3 228.264 0.618 20 0 BCADHM COc1ccc(C(=O)NC2COC2)c([O-])c1 ZINC000094711142 487553984 /nfs/dbraw/zinc/55/39/84/487553984.db2.gz IEFJEKCYTGUZIE-UHFFFAOYSA-N -1 3 223.228 0.529 20 0 BCADHM NC(=O)C1(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000673929611 487483293 /nfs/dbraw/zinc/48/32/93/487483293.db2.gz AEFHMCPYSMZULK-UHFFFAOYSA-N -1 3 245.238 0.959 20 0 BCADHM O=C(CCN1CCCC1=O)Nc1ccncc1[O-] ZINC000673916667 487478144 /nfs/dbraw/zinc/47/81/44/487478144.db2.gz LVBNYFSNUCMYMO-UHFFFAOYSA-N -1 3 249.270 0.160 20 0 BCADHM C[C@@]1(C(=O)[O-])CCCN1C[C@@H](O)C(F)(F)F ZINC000227070839 487502504 /nfs/dbraw/zinc/50/25/04/487502504.db2.gz QIWZOCYRQKQCCF-SVRRBLITSA-N -1 3 241.209 0.849 20 0 BCADHM C[C@@H]1CCNC(=O)[C@H]1NCc1ncccc1[O-] ZINC000685431166 487522095 /nfs/dbraw/zinc/52/20/95/487522095.db2.gz QDHSWRSVIZFLQO-KCJUWKMLSA-N -1 3 235.287 0.401 20 0 BCADHM C[C@@H](O)CCNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000668895193 487724216 /nfs/dbraw/zinc/72/42/16/487724216.db2.gz JXDSRZPEAGRPRP-SSDOTTSWSA-N -1 3 249.270 0.769 20 0 BCADHM C[C@H](O)CCNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000668895194 487724233 /nfs/dbraw/zinc/72/42/33/487724233.db2.gz JXDSRZPEAGRPRP-ZETCQYMHSA-N -1 3 249.270 0.769 20 0 BCADHM Cn1cc(C(=O)N2CCC[C@H]3C[C@H]32)c(=O)[n-]c1=O ZINC000672122838 488237710 /nfs/dbraw/zinc/23/77/10/488237710.db2.gz ROXXLJCUGJLIBM-IONNQARKSA-N -1 3 249.270 0.110 20 0 BCADHM CC(=O)CCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673545847 488295461 /nfs/dbraw/zinc/29/54/61/488295461.db2.gz MPVMUFQHEFJTHU-UHFFFAOYSA-N -1 3 239.275 0.128 20 0 BCADHM Cc1occc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673545141 488295511 /nfs/dbraw/zinc/29/55/11/488295511.db2.gz YLVLAMOKCCRYJU-UHFFFAOYSA-N -1 3 249.270 0.974 20 0 BCADHM NC(=O)C1(NC(=O)c2cccc([O-])c2)CCC1 ZINC000679644700 488362183 /nfs/dbraw/zinc/36/21/83/488362183.db2.gz SBRSMFHARZRLCH-UHFFFAOYSA-N -1 3 234.255 0.530 20 0 BCADHM O=C(NC[C@H]1COCCN1)c1ccccc1[O-] ZINC000236554601 490200595 /nfs/dbraw/zinc/20/05/95/490200595.db2.gz OLNWETOTRVUGIV-VIFPVBQESA-N -1 3 236.271 0.110 20 0 BCADHM COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000070249342 490216696 /nfs/dbraw/zinc/21/66/96/490216696.db2.gz LGLFHVXTTCMVOQ-UHFFFAOYSA-N -1 3 247.247 0.984 20 0 BCADHM O=C([N-]n1cn[nH]c1=O)[C@H]1CCCCC1(F)F ZINC000297562539 490317719 /nfs/dbraw/zinc/31/77/19/490317719.db2.gz RPEWKARFCLYLKP-ZCFIWIBFSA-N -1 3 246.217 0.467 20 0 BCADHM O=C(NCCc1ccc(CO)cc1)c1c[n-]nn1 ZINC000305784778 490608326 /nfs/dbraw/zinc/60/83/26/490608326.db2.gz RGQFAOMZNHHRBH-UHFFFAOYSA-N -1 3 246.270 0.270 20 0 BCADHM O=C(NCCc1ccc(CO)cc1)c1cnn[n-]1 ZINC000305784778 490608331 /nfs/dbraw/zinc/60/83/31/490608331.db2.gz RGQFAOMZNHHRBH-UHFFFAOYSA-N -1 3 246.270 0.270 20 0 BCADHM O=C(NCCc1ccc(CO)cc1)c1cn[n-]n1 ZINC000305784778 490608337 /nfs/dbraw/zinc/60/83/37/490608337.db2.gz RGQFAOMZNHHRBH-UHFFFAOYSA-N -1 3 246.270 0.270 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-][C@]12C[C@H]1CCC2 ZINC000632545663 491077795 /nfs/dbraw/zinc/07/77/95/491077795.db2.gz GABOUMHFEUFPKO-VXNVDRBHSA-N -1 3 242.304 0.036 20 0 BCADHM CC(C)[C@H](CNC(=O)[C@@H](N)C(C)(C)C)C(=O)[O-] ZINC000087513004 491089392 /nfs/dbraw/zinc/08/93/92/491089392.db2.gz ADKRPBJUNKTGFU-DTWKUNHWSA-N -1 3 244.335 0.833 20 0 BCADHM CN1CCC(NC(=O)c2cncc([O-])c2)CC1 ZINC000111738951 491128764 /nfs/dbraw/zinc/12/87/64/491128764.db2.gz KQJNKHYYWHMHDG-UHFFFAOYSA-N -1 3 235.287 0.611 20 0 BCADHM CCS(=O)(=O)[N-]C(C)(C)C(F)F ZINC000308162022 491135074 /nfs/dbraw/zinc/13/50/74/491135074.db2.gz RTZVOFJPIOPMLA-UHFFFAOYSA-N -1 3 201.238 0.969 20 0 BCADHM C[C@H]1CC[C@](CO)(N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000495200865 533770018 /nfs/dbraw/zinc/77/00/18/533770018.db2.gz ILUCKFILRPNKOS-KWQFWETISA-N -1 3 240.307 0.493 20 0 BCADHM COC(=O)N(C)CCCC(=O)[N-]OC(C)C ZINC000495970846 533883148 /nfs/dbraw/zinc/88/31/48/533883148.db2.gz POASSLOUWHRTKQ-UHFFFAOYSA-N -1 3 232.280 0.921 20 0 BCADHM CCn1nnnc1[N-]C(=O)CCOCC1CC1 ZINC000891340449 582667251 /nfs/dbraw/zinc/66/72/51/582667251.db2.gz PVDJZQDYAPDFOR-UHFFFAOYSA-N -1 3 239.279 0.448 20 0 BCADHM COC(=O)NCCC(=O)[N-]O[C@@H]1CCCCO1 ZINC000491266969 534070594 /nfs/dbraw/zinc/07/05/94/534070594.db2.gz VYPRGEPANSRDFA-SECBINFHSA-N -1 3 246.263 0.307 20 0 BCADHM C[C@H](CO)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000493360714 534128269 /nfs/dbraw/zinc/12/82/69/534128269.db2.gz WLZDTJCEWLIHNU-ZBJFTSOASA-N -1 3 236.271 0.640 20 0 BCADHM C[C@H](CO)NC(=O)/C=C\c1cncc([O-])c1 ZINC000493465925 534129360 /nfs/dbraw/zinc/12/93/60/534129360.db2.gz RGIUTMPFWVANDK-YAJNLLPGSA-N -1 3 222.244 0.297 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H]1CO ZINC000889144667 582844691 /nfs/dbraw/zinc/84/46/91/582844691.db2.gz AGMASEJFGURELH-ZETCQYMHSA-N -1 3 223.228 0.305 20 0 BCADHM Cn1nccc1/C=C/C(=O)[N-]OCC(F)F ZINC000492579983 534843483 /nfs/dbraw/zinc/84/34/83/534843483.db2.gz IRNOQNHOGXKROB-NSCUHMNNSA-N -1 3 231.202 0.746 20 0 BCADHM CCCN1CCC[C@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000261576046 534899363 /nfs/dbraw/zinc/89/93/63/534899363.db2.gz KBILUZHDXQUFJS-BDAKNGLRSA-N -1 3 228.292 0.450 20 0 BCADHM CC(C)(CO)NC(=O)/C=C/c1cncc([O-])c1 ZINC000305878658 527205736 /nfs/dbraw/zinc/20/57/36/527205736.db2.gz SRIMKPMQTPPXNM-ONEGZZNKSA-N -1 3 236.271 0.688 20 0 BCADHM CC(C)(CO)O[N-]C(=O)/C=C/c1ncc[nH]1 ZINC000493770576 527210153 /nfs/dbraw/zinc/21/01/53/527210153.db2.gz JVBAEWUNWDFTMD-ONEGZZNKSA-N -1 3 225.248 0.242 20 0 BCADHM CC1(CNC(=O)/C=C\c2cncc([O-])c2)COC1 ZINC000492522781 527933269 /nfs/dbraw/zinc/93/32/69/527933269.db2.gz VCVKNYNEPDGADO-IHWYPQMZSA-N -1 3 248.282 0.953 20 0 BCADHM CCOC=CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000493273381 528538449 /nfs/dbraw/zinc/53/84/49/528538449.db2.gz XREFGHKYAWWYSJ-PLNGDYQASA-N -1 3 239.231 0.685 20 0 BCADHM CCOCCO[N-]C(=O)/C=C/c1ccncn1 ZINC000492705993 528815175 /nfs/dbraw/zinc/81/51/75/528815175.db2.gz MHZWQKNPTCUPQH-ONEGZZNKSA-N -1 3 237.259 0.574 20 0 BCADHM CCOCCO[N-]C(=O)/C=C/c1ccnn1C ZINC000492644469 528815892 /nfs/dbraw/zinc/81/58/92/528815892.db2.gz IKWJUGQMTHROHR-SNAWJCMRSA-N -1 3 239.275 0.518 20 0 BCADHM CCOC(=O)NCCCC(=O)[N-]OCCOC ZINC000496768526 529075063 /nfs/dbraw/zinc/07/50/63/529075063.db2.gz SHXRIZLFJFOZCC-UHFFFAOYSA-N -1 3 248.279 0.207 20 0 BCADHM CCOC([O-])=NOCCOC[C@H]1CCCO1 ZINC000496220502 529082656 /nfs/dbraw/zinc/08/26/56/529082656.db2.gz YGOSWKCVTXFJIE-SECBINFHSA-N -1 3 233.264 0.860 20 0 BCADHM CCOC(=O)[N-]OCCOC[C@H]1CCCO1 ZINC000496220502 529082661 /nfs/dbraw/zinc/08/26/61/529082661.db2.gz YGOSWKCVTXFJIE-SECBINFHSA-N -1 3 233.264 0.860 20 0 BCADHM CCOC([O-])=NOCCCS(C)(=O)=O ZINC000496100951 529082688 /nfs/dbraw/zinc/08/26/88/529082688.db2.gz IOCPTSKEBTXIRW-UHFFFAOYSA-N -1 3 225.266 0.099 20 0 BCADHM CCOC(=O)[N-]OCCCS(C)(=O)=O ZINC000496100951 529082697 /nfs/dbraw/zinc/08/26/97/529082697.db2.gz IOCPTSKEBTXIRW-UHFFFAOYSA-N -1 3 225.266 0.099 20 0 BCADHM CCOC([O-])=NOC[C@@H]1CCNC(=O)CC1 ZINC000496043039 529084962 /nfs/dbraw/zinc/08/49/62/529084962.db2.gz IWVURXOEULTQJQ-QMMMGPOBSA-N -1 3 230.264 0.580 20 0 BCADHM CCOC(=O)[N-]OC[C@@H]1CCNC(=O)CC1 ZINC000496043039 529084966 /nfs/dbraw/zinc/08/49/66/529084966.db2.gz IWVURXOEULTQJQ-QMMMGPOBSA-N -1 3 230.264 0.580 20 0 BCADHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000305200932 529263296 /nfs/dbraw/zinc/26/32/96/529263296.db2.gz KUYCAXUGJGNMMZ-JGVFFNPUSA-N -1 3 247.320 0.095 20 0 BCADHM CCNC(=O)N1CCN([C@H](CC)C(=O)[O-])CC1 ZINC000191400609 535791326 /nfs/dbraw/zinc/79/13/26/535791326.db2.gz AFQYHCRCTYQHDU-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCNC1=O ZINC000335311040 536068336 /nfs/dbraw/zinc/06/83/36/536068336.db2.gz BAPMUKWQTQSCHX-SECBINFHSA-N -1 3 234.255 0.353 20 0 BCADHM C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000307171509 536332903 /nfs/dbraw/zinc/33/29/03/536332903.db2.gz BHVZKPIHTVZMCV-UHFFFAOYSA-N -1 3 206.654 0.643 20 0 BCADHM C[C@H]1OCCN(c2cc(=O)[n-]cn2)[C@@H]1C ZINC000892942109 583014033 /nfs/dbraw/zinc/01/40/33/583014033.db2.gz RVENQTSBFKJGJU-HTQZYQBOSA-N -1 3 209.249 0.796 20 0 BCADHM CCN(CC)C(=O)[C@@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000218292345 583173097 /nfs/dbraw/zinc/17/30/97/583173097.db2.gz KZEFHPUVLMETRT-NXEZZACHSA-N -1 3 242.319 0.650 20 0 BCADHM CC(=O)[N-]OCCCCC1(C)OCCO1 ZINC000853661593 588753534 /nfs/dbraw/zinc/75/35/34/588753534.db2.gz PCXQFGJSVDZUMI-UHFFFAOYSA-N -1 3 217.265 0.987 20 0 BCADHM CO[C@@H](CO[N-]C(C)=O)[C@@H]1CCOC1 ZINC000853660804 588753558 /nfs/dbraw/zinc/75/35/58/588753558.db2.gz FXSUDSCZCJJVEJ-BDAKNGLRSA-N -1 3 203.238 0.106 20 0 BCADHM CC(=O)[N-]OCc1cn(C(C)(C)C)nn1 ZINC000853660891 588753692 /nfs/dbraw/zinc/75/36/92/588753692.db2.gz GTZPGDHZNIESBY-UHFFFAOYSA-N -1 3 212.253 0.601 20 0 BCADHM CC(C)(C)CC(=O)[N-]OC[C@@H]1COCCO1 ZINC000853706700 588758362 /nfs/dbraw/zinc/75/83/62/588758362.db2.gz PFNLCVIBTDWTER-VIFPVBQESA-N -1 3 231.292 0.886 20 0 BCADHM CCCCCCN(C)CC(=O)Nc1nnn[n-]1 ZINC000111569232 588762636 /nfs/dbraw/zinc/76/26/36/588762636.db2.gz JSTBIMGAAXFRHM-UHFFFAOYSA-N -1 3 240.311 0.650 20 0 BCADHM CCCCCCN(C)CC(=O)Nc1nn[n-]n1 ZINC000111569232 588762637 /nfs/dbraw/zinc/76/26/37/588762637.db2.gz JSTBIMGAAXFRHM-UHFFFAOYSA-N -1 3 240.311 0.650 20 0 BCADHM CC1=NO[C@@H](C(=O)[N-]C2=NCCS2)C1 ZINC000854293227 588782226 /nfs/dbraw/zinc/78/22/26/588782226.db2.gz NQELVALBSFJZAK-ZCFIWIBFSA-N -1 3 213.262 0.370 20 0 BCADHM O=C(Cc1cscn1)[N-]C1=NCCS1 ZINC000854293021 588782781 /nfs/dbraw/zinc/78/27/81/588782781.db2.gz NHRKTCJUZRJMGF-UHFFFAOYSA-N -1 3 227.314 0.905 20 0 BCADHM CC(C)(C(=O)[N-]C1=NCCS1)n1cccn1 ZINC000854292400 588782797 /nfs/dbraw/zinc/78/27/97/588782797.db2.gz DLTQZQZGUVFYDG-UHFFFAOYSA-N -1 3 238.316 0.837 20 0 BCADHM O=C(NN1CCCC1)c1csc(=O)[n-]1 ZINC000854326250 588783910 /nfs/dbraw/zinc/78/39/10/588783910.db2.gz IBLALKMGOSSDMD-UHFFFAOYSA-N -1 3 213.262 0.589 20 0 BCADHM O=C(NN1CCCC1)c1cccc2nn[n-]c21 ZINC000854327080 588784239 /nfs/dbraw/zinc/78/42/39/588784239.db2.gz QSZPHFNQDJRYRN-UHFFFAOYSA-N -1 3 231.259 0.699 20 0 BCADHM O=C(NN1CCCC1)c1cccc2[n-]nnc21 ZINC000854327080 588784240 /nfs/dbraw/zinc/78/42/40/588784240.db2.gz QSZPHFNQDJRYRN-UHFFFAOYSA-N -1 3 231.259 0.699 20 0 BCADHM O=C(NN1CCCC1)c1cccc2n[n-]nc21 ZINC000854327080 588784241 /nfs/dbraw/zinc/78/42/41/588784241.db2.gz QSZPHFNQDJRYRN-UHFFFAOYSA-N -1 3 231.259 0.699 20 0 BCADHM CC(C)[C@H](F)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854485995 588789353 /nfs/dbraw/zinc/78/93/53/588789353.db2.gz ITDHWXSCLQLTLZ-JTQLQIEISA-N -1 3 243.282 0.753 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@](C)(O)C2CC2)CC1 ZINC000854357918 588784861 /nfs/dbraw/zinc/78/48/61/588784861.db2.gz MYRNTUBSYPKVCF-GFCCVEGCSA-N -1 3 242.319 0.289 20 0 BCADHM CC(C)[C@H](O)C(=O)[N-]OC1CCN(C)CC1 ZINC000854357592 588784922 /nfs/dbraw/zinc/78/49/22/588784922.db2.gz JMYHIJYVZKQEEC-JTQLQIEISA-N -1 3 230.308 0.145 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H]1CC(C)=NO1 ZINC000854390693 588785658 /nfs/dbraw/zinc/78/56/58/588785658.db2.gz KHCYXKYYZVUCCF-ZETCQYMHSA-N -1 3 223.236 0.401 20 0 BCADHM CC(C)(F)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854485807 588789210 /nfs/dbraw/zinc/78/92/10/588789210.db2.gz BAFOEBKVVHATSI-UHFFFAOYSA-N -1 3 229.255 0.507 20 0 BCADHM CC=CC=CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854488443 588789223 /nfs/dbraw/zinc/78/92/23/588789223.db2.gz VGWAVAGVUWEJBB-AOGGBPEJSA-N -1 3 235.287 0.891 20 0 BCADHM O=C([N-]OC/C=C\Cl)[C@H]1[C@@H]2COC[C@@H]21 ZINC000854534011 588791026 /nfs/dbraw/zinc/79/10/26/588791026.db2.gz GSDHNXLEQZNFFH-UOLSPHFKSA-N -1 3 217.652 0.679 20 0 BCADHM C[C@H]([N-]C(=O)C(C)(F)F)c1nccc(N)n1 ZINC000854762724 588806097 /nfs/dbraw/zinc/80/60/97/588806097.db2.gz MZKAYZLWEXADSY-YFKPBYRVSA-N -1 3 230.218 0.891 20 0 BCADHM O=C(c1nnc2ccccc2c1[O-])N1CCOC1 ZINC000854806695 588811481 /nfs/dbraw/zinc/81/14/81/588811481.db2.gz WYSAWTMRMUUAJS-UHFFFAOYSA-N -1 3 245.238 0.765 20 0 BCADHM CN(C)CCO[N-]C(=O)CCc1cnccn1 ZINC000854945071 588817474 /nfs/dbraw/zinc/81/74/74/588817474.db2.gz IVJROTPWCJRGHU-UHFFFAOYSA-N -1 3 238.291 0.019 20 0 BCADHM C[C@@H](C(=O)[N-]OCCN(C)C)C(F)(F)F ZINC000854945852 588817823 /nfs/dbraw/zinc/81/78/23/588817823.db2.gz SAVCJIZYMCEWTO-LURJTMIESA-N -1 3 228.214 0.794 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H]1CCC(=O)N(C)C1=O ZINC000854986853 588819901 /nfs/dbraw/zinc/81/99/01/588819901.db2.gz DCTQZRNRVVPKMR-ZCFIWIBFSA-N -1 3 248.229 0.295 20 0 BCADHM C/C=C\C(=O)[N-]OC(C)(C)C(=O)OCC ZINC000855131861 588822551 /nfs/dbraw/zinc/82/25/51/588822551.db2.gz DUZIBLDFCSDZDO-ALCCZGGFSA-N -1 3 215.249 0.952 20 0 BCADHM Cc1nonc1[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000843539957 582558984 /nfs/dbraw/zinc/55/89/84/582558984.db2.gz OMEPHFOMACSABH-UHFFFAOYSA-N -1 3 248.246 0.947 20 0 BCADHM Cn1cncc1CCC(=O)[N-]OC1CCC1 ZINC000812795003 582566326 /nfs/dbraw/zinc/56/63/26/582566326.db2.gz TYGXAQNSXLUTNC-UHFFFAOYSA-N -1 3 223.276 0.953 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000891338324 582666461 /nfs/dbraw/zinc/66/64/61/582666461.db2.gz AAYCHBXQEPEVGR-SSDOTTSWSA-N -1 3 249.278 0.169 20 0 BCADHM CCn1nnnc1[N-]C(=O)C(F)(F)C(F)F ZINC000891338474 582666561 /nfs/dbraw/zinc/66/65/61/582666561.db2.gz BKYUOYMZNNYQEH-UHFFFAOYSA-N -1 3 241.148 0.532 20 0 BCADHM CCn1nnnc1[N-]C(=O)/C=C/C1CC1 ZINC000891339741 582666710 /nfs/dbraw/zinc/66/67/10/582666710.db2.gz JXYKCHBZOQZKBK-AATRIKPKSA-N -1 3 207.237 0.598 20 0 BCADHM CCn1nnnc1[N-]C(=O)C1(CCF)CC1 ZINC000891340682 582667026 /nfs/dbraw/zinc/66/70/26/582667026.db2.gz SFYGYSKIYDUFEI-UHFFFAOYSA-N -1 3 227.243 0.771 20 0 BCADHM CCC[C@H](OC)C(=O)[N-]c1nnnn1CC ZINC000891339529 582667057 /nfs/dbraw/zinc/66/70/57/582667057.db2.gz FKTCWCSJABQFNU-ZETCQYMHSA-N -1 3 227.268 0.447 20 0 BCADHM COCc1nc(N2CCN(C)CC2)cc(=O)[n-]1 ZINC000891392007 582676663 /nfs/dbraw/zinc/67/66/63/582676663.db2.gz ZHOWRWZITRTFHT-UHFFFAOYSA-N -1 3 238.291 0.080 20 0 BCADHM COCc1nc(NCCn2ccnc2)cc(=O)[n-]1 ZINC000891516786 582694657 /nfs/dbraw/zinc/69/46/57/582694657.db2.gz PETZMQFIBAJJHE-UHFFFAOYSA-N -1 3 249.274 0.637 20 0 BCADHM C[C@H]1CC[C@H](C(N)=O)CN1c1cc(=O)[n-]cn1 ZINC000891892153 582735661 /nfs/dbraw/zinc/73/56/61/582735661.db2.gz CMZVFNMHEVMDJP-YUMQZZPRSA-N -1 3 236.275 0.272 20 0 BCADHM Cc1nc(NCCNc2cnccn2)cc(=O)[n-]1 ZINC000891986061 582753811 /nfs/dbraw/zinc/75/38/11/582753811.db2.gz LLYCULCBPPGRKI-UHFFFAOYSA-N -1 3 246.274 0.805 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@H]1CO ZINC000889132164 582830892 /nfs/dbraw/zinc/83/08/92/582830892.db2.gz CJWCMWFVHKPEDB-QMMMGPOBSA-N -1 3 207.229 0.599 20 0 BCADHM COc1ccc([O-])c(C(=O)N2CC[C@H]2CO)c1 ZINC000889132716 582831884 /nfs/dbraw/zinc/83/18/84/582831884.db2.gz OCFLFJBXKHFTTA-QMMMGPOBSA-N -1 3 237.255 0.608 20 0 BCADHM O=c1cc(NC[C@H](O)C2CCOCC2)nc[n-]1 ZINC000892607342 582928499 /nfs/dbraw/zinc/92/84/99/582928499.db2.gz RSABWYMDMAGCEP-VIFPVBQESA-N -1 3 239.275 0.382 20 0 BCADHM Cn1cc([C@H](O)CNc2cc(=O)[n-]cn2)cn1 ZINC000892674015 582948571 /nfs/dbraw/zinc/94/85/71/582948571.db2.gz FAKPACWSYXHEAH-MRVPVSSYSA-N -1 3 235.247 0.061 20 0 BCADHM CON(C)C(=O)c1cc(F)c[n-]c1=O ZINC000856725239 588875000 /nfs/dbraw/zinc/87/50/00/588875000.db2.gz GRDSSVNOGZFQCM-UHFFFAOYSA-N -1 3 200.169 0.560 20 0 BCADHM O=c1cc(N2CCO[C@@]3(CCOC3)C2)nc[n-]1 ZINC000893218645 583074037 /nfs/dbraw/zinc/07/40/37/583074037.db2.gz IYTXSLWROOBCBJ-NSHDSACASA-N -1 3 237.259 0.178 20 0 BCADHM O=C([N-]OCC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000856343660 588868283 /nfs/dbraw/zinc/86/82/83/588868283.db2.gz UQGDNDWLVWLARU-SECBINFHSA-N -1 3 247.316 0.269 20 0 BCADHM C[C@@H](CS(C)(=O)=O)C(=O)[N-]OCC1CCC1 ZINC000856347901 588868917 /nfs/dbraw/zinc/86/89/17/588868917.db2.gz HJRIMWYWQNDMAF-QMMMGPOBSA-N -1 3 249.332 0.515 20 0 BCADHM O=C(C[C@H]1COC(=O)C1)[N-]OCC1CCC1 ZINC000856347792 588869150 /nfs/dbraw/zinc/86/91/50/588869150.db2.gz DGWYNTPBOMAYNV-SECBINFHSA-N -1 3 227.260 0.788 20 0 BCADHM O=C(Cc1cncnc1)[N-]OCC1CCC1 ZINC000856349754 588869742 /nfs/dbraw/zinc/86/97/42/588869742.db2.gz CSTDIATYEGIYHD-UHFFFAOYSA-N -1 3 221.260 0.867 20 0 BCADHM O=C([N-]OCCO)c1c(F)cc(F)cc1F ZINC000776585507 583124536 /nfs/dbraw/zinc/12/45/36/583124536.db2.gz UCEUNBSCCPBSBN-UHFFFAOYSA-N -1 3 235.161 0.758 20 0 BCADHM CN(C)C(=O)[C@H]1CCCN1CCCCC(=O)[O-] ZINC000737943790 583131796 /nfs/dbraw/zinc/13/17/96/583131796.db2.gz BKCINXBKNBWVPQ-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM Cc1nc(NC[C@@H](C)c2nncn2C)cc(=O)[n-]1 ZINC000893400444 583136916 /nfs/dbraw/zinc/13/69/16/583136916.db2.gz DAUWZPLLFVSCNM-SSDOTTSWSA-N -1 3 248.290 0.835 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCc1ccncc1 ZINC000857284952 583137048 /nfs/dbraw/zinc/13/70/48/583137048.db2.gz NDGOCWPRSRMUQN-UHFFFAOYSA-N -1 3 238.287 0.833 20 0 BCADHM C[C@@H]1CN(c2cc(=O)[n-]cn2)C[C@H](C)[S@@]1=O ZINC000893454909 583146296 /nfs/dbraw/zinc/14/62/96/583146296.db2.gz YJXJHRVDYMDJEG-JWEVAZEWSA-N -1 3 241.316 0.528 20 0 BCADHM CCc1cc(N(C)C[C@H](C)c2nnn[n-]2)ncn1 ZINC000095305084 583175797 /nfs/dbraw/zinc/17/57/97/583175797.db2.gz QDMNEJGRBVEZLP-QMMMGPOBSA-N -1 3 247.306 0.792 20 0 BCADHM CCc1cc(N(C)C[C@H](C)c2nn[n-]n2)ncn1 ZINC000095305084 583175799 /nfs/dbraw/zinc/17/57/99/583175799.db2.gz QDMNEJGRBVEZLP-QMMMGPOBSA-N -1 3 247.306 0.792 20 0 BCADHM COC(=O)[C@H](C)N(C)c1cc(=O)[n-]cn1 ZINC000893647731 583186267 /nfs/dbraw/zinc/18/62/67/583186267.db2.gz XXACPIFPGRXXPX-LURJTMIESA-N -1 3 211.221 0.180 20 0 BCADHM Cc1nc(N2C[C@@H]3COC[C@H](C2)O3)cc(=O)[n-]1 ZINC000893716649 583212187 /nfs/dbraw/zinc/21/21/87/583212187.db2.gz NZOQTMKVAVJESR-DTORHVGOSA-N -1 3 237.259 0.095 20 0 BCADHM COCc1nc(N2CC[C@@H](F)C2)cc(=O)[n-]1 ZINC000894022721 583274750 /nfs/dbraw/zinc/27/47/50/583274750.db2.gz BOXLDZDWHYVLKU-SSDOTTSWSA-N -1 3 227.239 0.877 20 0 BCADHM O=C(N[C@@H](CO)C1CC1)c1cc(F)c[n-]c1=O ZINC000857172923 588891276 /nfs/dbraw/zinc/89/12/76/588891276.db2.gz DWINJEDGKRUSIA-VIFPVBQESA-N -1 3 240.234 0.427 20 0 BCADHM Cn1nccc1[C@@H](CO)Nc1cc(=O)[n-]cn1 ZINC000894162325 583321619 /nfs/dbraw/zinc/32/16/19/583321619.db2.gz PZKICIOTBNLORG-SSDOTTSWSA-N -1 3 235.247 0.061 20 0 BCADHM O=c1cc(N2CCO[C@H](CF)C2)nc[n-]1 ZINC000894180587 583330386 /nfs/dbraw/zinc/33/03/86/583330386.db2.gz CZMDYRNVSGOEIK-SSDOTTSWSA-N -1 3 213.212 0.357 20 0 BCADHM CN(C)C(=O)[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000894192986 583333380 /nfs/dbraw/zinc/33/33/80/583333380.db2.gz ARXUCCWQRSEAKH-QMMMGPOBSA-N -1 3 236.275 0.097 20 0 BCADHM C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc(N)cc1[O-] ZINC000841849376 583366952 /nfs/dbraw/zinc/36/69/52/583366952.db2.gz PQTDTPCKBOIINA-DTWKUNHWSA-N -1 3 249.314 0.797 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C1(CCF)CC1 ZINC000857283298 588902283 /nfs/dbraw/zinc/90/22/83/588902283.db2.gz FICCKQLEFGDZHA-UHFFFAOYSA-N -1 3 219.256 0.945 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C1CC(F)(F)C1 ZINC000857284300 588902893 /nfs/dbraw/zinc/90/28/93/588902893.db2.gz FTNUQQRDYHRSRV-UHFFFAOYSA-N -1 3 223.219 0.850 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C[C@H]1CCOC1 ZINC000857284837 588903373 /nfs/dbraw/zinc/90/33/73/588903373.db2.gz UBQSPXXRKPYQAL-MRVPVSSYSA-N -1 3 217.265 0.232 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C[C@@H]1CCCO1 ZINC000857285265 588903433 /nfs/dbraw/zinc/90/34/33/588903433.db2.gz WZTZJSFYRGBRTN-QMMMGPOBSA-N -1 3 217.265 0.374 20 0 BCADHM CCN1C[C@@H](CNc2cc(=O)[n-]cn2)CC1=O ZINC000894391530 583446424 /nfs/dbraw/zinc/44/64/24/583446424.db2.gz PWHJUHSXNVXRAQ-MRVPVSSYSA-N -1 3 236.275 0.463 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C[C@H]1CCCOC1 ZINC000857284820 588903682 /nfs/dbraw/zinc/90/36/82/588903682.db2.gz SOEIJPYCKODEPU-SECBINFHSA-N -1 3 231.292 0.622 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCc1cscn1 ZINC000857284893 588903776 /nfs/dbraw/zinc/90/37/76/588903776.db2.gz KNEWETDPYGXZGZ-UHFFFAOYSA-N -1 3 244.316 0.894 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C[C@@H]1CCCOC1 ZINC000857285805 588904275 /nfs/dbraw/zinc/90/42/75/588904275.db2.gz LHYRIXFRUNIXGN-QWRGUYRKSA-N -1 3 245.319 0.868 20 0 BCADHM C[C@H]1C[C@H](Nc2cc(=O)[n-]cn2)c2ncnn21 ZINC000894493086 583473696 /nfs/dbraw/zinc/47/36/96/583473696.db2.gz SKIPHGSGEKUQGO-BQBZGAKWSA-N -1 3 232.247 0.892 20 0 BCADHM Cc1nc(N2CCC3(COC3)C2)cc(=O)[n-]1 ZINC000894608893 583491941 /nfs/dbraw/zinc/49/19/41/583491941.db2.gz AWTPBNBYYRINQH-UHFFFAOYSA-N -1 3 221.260 0.717 20 0 BCADHM Cc1nnc(CN(C)c2cc(=O)[n-]cn2)s1 ZINC000894638993 583498233 /nfs/dbraw/zinc/49/82/33/583498233.db2.gz MLWLKAYZDHMKEA-UHFFFAOYSA-N -1 3 237.288 0.979 20 0 BCADHM Cc1nc(NC[C@@H](O)[C@H]2CCCO2)cc(=O)[n-]1 ZINC000894722823 583514743 /nfs/dbraw/zinc/51/47/43/583514743.db2.gz CQUHFKOLYMAPPA-RKDXNWHRSA-N -1 3 239.275 0.442 20 0 BCADHM COC(=O)C1=CC[C@@H](Nc2cc(=O)[n-]cn2)C1 ZINC000894726169 583515316 /nfs/dbraw/zinc/51/53/16/583515316.db2.gz SGJMRODMCGVNHX-MRVPVSSYSA-N -1 3 235.243 0.856 20 0 BCADHM O=C1OCC[C@@H]1CCCNc1cc(=O)[n-]cn1 ZINC000895071476 583579343 /nfs/dbraw/zinc/57/93/43/583579343.db2.gz KJQVRLCHFQJNHO-QMMMGPOBSA-N -1 3 237.259 0.937 20 0 BCADHM CO[C@@H]1COCC[C@@H]1N(C)c1cc(=O)[n-]cn1 ZINC000895157112 583607876 /nfs/dbraw/zinc/60/78/76/583607876.db2.gz OGKFORDBZFDIRK-DTWKUNHWSA-N -1 3 239.275 0.422 20 0 BCADHM CO[C@H]1COCC[C@@H]1N(C)c1cc(=O)[n-]cn1 ZINC000895157113 583607932 /nfs/dbraw/zinc/60/79/32/583607932.db2.gz OGKFORDBZFDIRK-IUCAKERBSA-N -1 3 239.275 0.422 20 0 BCADHM CS[C@@H](C)C(=O)N[N-]C(=O)c1ccoc1 ZINC000142796934 583633709 /nfs/dbraw/zinc/63/37/09/583633709.db2.gz ACACEXVMVHNPBT-LURJTMIESA-N -1 3 228.273 0.792 20 0 BCADHM Cc1nc([C@H]2CCN(c3cc(=O)[n-]cn3)C2)no1 ZINC000895396919 583664864 /nfs/dbraw/zinc/66/48/64/583664864.db2.gz LBBWYFSZPXLKFN-QMMMGPOBSA-N -1 3 247.258 0.868 20 0 BCADHM CCc1[n-]nc(Cl)c1C(=O)OCCC(N)=O ZINC000860629966 589111241 /nfs/dbraw/zinc/11/12/41/589111241.db2.gz NETFXRPQEUPHOV-UHFFFAOYSA-N -1 3 245.666 0.658 20 0 BCADHM CSc1nnc(NC(=O)[C@@H]2C[C@@H](C)CO2)[n-]1 ZINC000896001443 583760063 /nfs/dbraw/zinc/76/00/63/583760063.db2.gz YMXHMINNBCKYTE-RITPCOANSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@@H](C)CO2)n1 ZINC000896001443 583760064 /nfs/dbraw/zinc/76/00/64/583760064.db2.gz YMXHMINNBCKYTE-RITPCOANSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nc(NC(=O)[C@@H]2C[C@@H](C)CO2)n[n-]1 ZINC000896001443 583760066 /nfs/dbraw/zinc/76/00/66/583760066.db2.gz YMXHMINNBCKYTE-RITPCOANSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nnc(NC(=O)[C@@H]2C[C@H](C)CO2)[n-]1 ZINC000896001444 583760237 /nfs/dbraw/zinc/76/02/37/583760237.db2.gz YMXHMINNBCKYTE-WDSKDSINSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H]2C[C@H](C)CO2)n1 ZINC000896001444 583760239 /nfs/dbraw/zinc/76/02/39/583760239.db2.gz YMXHMINNBCKYTE-WDSKDSINSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nc(NC(=O)[C@@H]2C[C@H](C)CO2)n[n-]1 ZINC000896001444 583760240 /nfs/dbraw/zinc/76/02/40/583760240.db2.gz YMXHMINNBCKYTE-WDSKDSINSA-N -1 3 242.304 0.890 20 0 BCADHM O=C(N[C@@H]1CCn2cncc21)c1cncc([O-])c1 ZINC000857981417 588927964 /nfs/dbraw/zinc/92/79/64/588927964.db2.gz DHMPOYHJQMQJRX-SNVBAGLBSA-N -1 3 244.254 0.859 20 0 BCADHM CCc1onc(C)c1CNCC(=O)[N-]OC ZINC000896924821 583857788 /nfs/dbraw/zinc/85/77/88/583857788.db2.gz OWBQHGMJOSMWIJ-UHFFFAOYSA-N -1 3 227.264 0.313 20 0 BCADHM CO[N-]C(=O)CNCc1cc(C)c(O)c(C)c1 ZINC000896926974 583858858 /nfs/dbraw/zinc/85/88/58/583858858.db2.gz MSPKIBQCKDXNND-UHFFFAOYSA-N -1 3 238.287 0.776 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C2CC(C)C2)nn1 ZINC000866907723 583866425 /nfs/dbraw/zinc/86/64/25/583866425.db2.gz BREKRXBEHYRDEK-UHFFFAOYSA-N -1 3 241.316 0.862 20 0 BCADHM O=c1cc(N2CCC[C@H]2C2OCCO2)nc[n-]1 ZINC000897003894 583869073 /nfs/dbraw/zinc/86/90/73/583869073.db2.gz JNMKKIOQOCKENW-QMMMGPOBSA-N -1 3 237.259 0.524 20 0 BCADHM COc1cc(NC(=O)c2n[n-]nc2C)[nH]n1 ZINC000862712696 583968131 /nfs/dbraw/zinc/96/81/31/583968131.db2.gz YWHUNEWQTHIZRJ-UHFFFAOYSA-N -1 3 222.208 0.097 20 0 BCADHM CN1C[C@H](Nc2cc(Cl)n[n-]c2=O)CC1=O ZINC000872438506 583972091 /nfs/dbraw/zinc/97/20/91/583972091.db2.gz AAHDYXOZUAXJEB-RXMQYKEDSA-N -1 3 242.666 0.478 20 0 BCADHM CNC(=O)C1(C(=O)[N-]C2=NCCS2)CCC1 ZINC000729966594 584031317 /nfs/dbraw/zinc/03/13/17/584031317.db2.gz MWBNVCHYDHZXHY-UHFFFAOYSA-N -1 3 241.316 0.122 20 0 BCADHM C[C@H]1CO[C@@H](C(=O)[N-]OC2CCN(C)CC2)C1 ZINC000897675255 584035457 /nfs/dbraw/zinc/03/54/57/584035457.db2.gz WIQUAHANOWLLCW-MWLCHTKSSA-N -1 3 242.319 0.553 20 0 BCADHM O=C1[N-]C(=O)C2(CN(Cc3ccc(F)cc3)C2)N1 ZINC000897907808 584059911 /nfs/dbraw/zinc/05/99/11/584059911.db2.gz MUMFCMBPRPUVCQ-UHFFFAOYSA-N -1 3 249.245 0.220 20 0 BCADHM CCCO[N-]C(=O)C1CN(C2CCOCC2)C1 ZINC000898089748 584081671 /nfs/dbraw/zinc/08/16/71/584081671.db2.gz BWYLGUBEHQUZOG-UHFFFAOYSA-N -1 3 242.319 0.555 20 0 BCADHM O=C(N[C@H]1CCOC1=O)c1c([O-])cccc1O ZINC000898092942 584082660 /nfs/dbraw/zinc/08/26/60/584082660.db2.gz KZHDTOZODYNKPQ-LURJTMIESA-N -1 3 237.211 0.143 20 0 BCADHM CCCC1(C(=O)[N-]OCCO)CCC1 ZINC000787294436 584118219 /nfs/dbraw/zinc/11/82/19/584118219.db2.gz OTNLMDXXHNGKCS-UHFFFAOYSA-N -1 3 201.266 0.997 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccccn1 ZINC000898727953 584155761 /nfs/dbraw/zinc/15/57/61/584155761.db2.gz FHSIHDOXWMYFGE-VIFPVBQESA-N -1 3 246.270 0.323 20 0 BCADHM CCCCC(=O)NCCCc1c[n-][nH]c1=O ZINC000898730314 584155956 /nfs/dbraw/zinc/15/59/56/584155956.db2.gz YNORPHRODVXRTM-VIFPVBQESA-N -1 3 225.292 0.805 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898728667 584155971 /nfs/dbraw/zinc/15/59/71/584155971.db2.gz NBWGNZZKJRXEFG-HLTSFMKQSA-N -1 3 223.276 0.271 20 0 BCADHM CCC1(C(=O)NCCCc2c[n-][nH]c2=O)CC1 ZINC000898733620 584156064 /nfs/dbraw/zinc/15/60/64/584156064.db2.gz SDJWOCNMINTPFA-VIFPVBQESA-N -1 3 237.303 0.805 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000898731705 584156127 /nfs/dbraw/zinc/15/61/27/584156127.db2.gz GCFURKONMCXPMO-UKKRHICBSA-N -1 3 249.314 0.661 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)C1(C2CC2)CC1 ZINC000898746136 584156661 /nfs/dbraw/zinc/15/66/61/584156661.db2.gz YCQUYIBTAKXNQO-SECBINFHSA-N -1 3 249.314 0.805 20 0 BCADHM Cn1ccc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC000898737903 584157015 /nfs/dbraw/zinc/15/70/15/584157015.db2.gz XCXZMBIZLSDERW-SECBINFHSA-N -1 3 248.286 0.267 20 0 BCADHM CC/C=C(/C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739508 584157171 /nfs/dbraw/zinc/15/71/71/584157171.db2.gz JYSGUVXNIDIEJK-HYHWUIIZSA-N -1 3 237.303 0.971 20 0 BCADHM CC/C=C(\C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739510 584157311 /nfs/dbraw/zinc/15/73/11/584157311.db2.gz JYSGUVXNIDIEJK-NAZIUFLLSA-N -1 3 237.303 0.971 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)C1CC2(CC2)C1 ZINC000898741584 584157638 /nfs/dbraw/zinc/15/76/38/584157638.db2.gz AQSJBFSLKJMGEB-VIFPVBQESA-N -1 3 249.314 0.805 20 0 BCADHM Cc1ccc(C(=O)NC2=NCC(=O)N2C)c([O-])c1 ZINC000898780185 584159751 /nfs/dbraw/zinc/15/97/51/584159751.db2.gz FBYYIHOSOYTFNF-UHFFFAOYSA-N -1 3 247.254 0.258 20 0 BCADHM O=c1nc(NCCc2nc[nH]n2)cc(Cl)[n-]1 ZINC000858516790 588962206 /nfs/dbraw/zinc/96/22/06/588962206.db2.gz MVTQWCMEMJFSAH-UHFFFAOYSA-N -1 3 240.654 0.608 20 0 BCADHM O=C([N-]OCCO)[C@@H]1C[C@H]1c1cccnc1 ZINC000898939180 584166822 /nfs/dbraw/zinc/16/68/22/584166822.db2.gz KGPQXJUSYHKYPT-VHSXEESVSA-N -1 3 222.244 0.225 20 0 BCADHM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)[N-]OCCO ZINC000898939218 584167578 /nfs/dbraw/zinc/16/75/78/584167578.db2.gz LQOJAFUKIXODNA-GMSGAONNSA-N -1 3 239.275 0.116 20 0 BCADHM C[C@H]1C(=O)N([N-]C(=O)c2ccncc2)C(=O)N1C ZINC000899025378 584169303 /nfs/dbraw/zinc/16/93/03/584169303.db2.gz KGVQBJVLIWNJPP-ZETCQYMHSA-N -1 3 248.242 0.009 20 0 BCADHM CC(C)[C@H](F)C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O ZINC000899036923 584172477 /nfs/dbraw/zinc/17/24/77/584172477.db2.gz YLCMQQRGKBYHDH-BQBZGAKWSA-N -1 3 245.254 0.294 20 0 BCADHM O=C(OC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cnn[n-]1 ZINC000873393945 584194233 /nfs/dbraw/zinc/19/42/33/584194233.db2.gz STKBLLHVBGRRLB-WEDXCCLWSA-N -1 3 237.259 0.919 20 0 BCADHM O=C(OC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1c[n-]nn1 ZINC000873393945 584194235 /nfs/dbraw/zinc/19/42/35/584194235.db2.gz STKBLLHVBGRRLB-WEDXCCLWSA-N -1 3 237.259 0.919 20 0 BCADHM Cc1[n-]n([C@@H]2CCCC[C@H]2O)c(=O)c1F ZINC000899365134 584205393 /nfs/dbraw/zinc/20/53/93/584205393.db2.gz PUCSXRHCLKXKLZ-HLTSFMKQSA-N -1 3 214.240 0.846 20 0 BCADHM O=C(NC[C@@H]1CC2(CCC2)CO1)c1c[n-]nn1 ZINC000899427057 584215227 /nfs/dbraw/zinc/21/52/27/584215227.db2.gz DFSOLENRYHSARB-QMMMGPOBSA-N -1 3 236.275 0.494 20 0 BCADHM O=C(NC[C@@H]1CC2(CCC2)CO1)c1cnn[n-]1 ZINC000899427057 584215229 /nfs/dbraw/zinc/21/52/29/584215229.db2.gz DFSOLENRYHSARB-QMMMGPOBSA-N -1 3 236.275 0.494 20 0 BCADHM O=C(NC[C@@H]1CC2(CCC2)CO1)c1cn[n-]n1 ZINC000899427057 584215232 /nfs/dbraw/zinc/21/52/32/584215232.db2.gz DFSOLENRYHSARB-QMMMGPOBSA-N -1 3 236.275 0.494 20 0 BCADHM CN1CCC[C@H](C(=O)[N-]C2=NCCS2)C1=O ZINC000900005445 584264365 /nfs/dbraw/zinc/26/43/65/584264365.db2.gz AEMFPYPSXAPIFW-SSDOTTSWSA-N -1 3 241.316 0.074 20 0 BCADHM C=CC(=O)N(CC)CC(=O)[N-]C1=NCCS1 ZINC000900005480 584264389 /nfs/dbraw/zinc/26/43/89/584264389.db2.gz BNKRMSMOGOMFMF-UHFFFAOYSA-N -1 3 241.316 0.240 20 0 BCADHM CC(C)(O)[C@H](O)C(=O)Nc1ccccc1[O-] ZINC000900309246 584293225 /nfs/dbraw/zinc/29/32/25/584293225.db2.gz BFZJBRYOQPMMLO-SECBINFHSA-N -1 3 225.244 0.463 20 0 BCADHM CSc1nnc(NC(=O)CCF)[n-]1 ZINC000900440385 584310833 /nfs/dbraw/zinc/31/08/33/584310833.db2.gz GKNLGMDXHHTSMX-UHFFFAOYSA-N -1 3 204.230 0.825 20 0 BCADHM CSc1n[n-]c(NC(=O)CCF)n1 ZINC000900440385 584310835 /nfs/dbraw/zinc/31/08/35/584310835.db2.gz GKNLGMDXHHTSMX-UHFFFAOYSA-N -1 3 204.230 0.825 20 0 BCADHM CSc1nc(NC(=O)CCF)n[n-]1 ZINC000900440385 584310836 /nfs/dbraw/zinc/31/08/36/584310836.db2.gz GKNLGMDXHHTSMX-UHFFFAOYSA-N -1 3 204.230 0.825 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1csc(N)n1 ZINC000900476849 584317898 /nfs/dbraw/zinc/31/78/98/584317898.db2.gz HGWDCBDKJNZPAD-UHFFFAOYSA-N -1 3 221.232 0.997 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@H]1CCOC(=O)N1 ZINC000858678393 588974146 /nfs/dbraw/zinc/97/41/46/588974146.db2.gz MNIOTAIXGABSLU-MRVPVSSYSA-N -1 3 236.227 0.829 20 0 BCADHM O=C(Nc1nnn[n-]1)[C@H]1CC[C@H]2CCCCN21 ZINC000900746971 584348694 /nfs/dbraw/zinc/34/86/94/584348694.db2.gz SSYUPHWEGQTIRR-HTQZYQBOSA-N -1 3 236.279 0.155 20 0 BCADHM CC[C@H](NC)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000901036698 584376466 /nfs/dbraw/zinc/37/64/66/584376466.db2.gz WREVFTVGVHNCLX-VIFPVBQESA-N -1 3 248.348 0.373 20 0 BCADHM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)CCN ZINC000901095861 584384672 /nfs/dbraw/zinc/38/46/72/584384672.db2.gz LTVMWJPQQMFAPR-QMMMGPOBSA-N -1 3 236.337 0.217 20 0 BCADHM NCCS(=O)(=O)[N-]C(=O)/C=C\C1CCCC1 ZINC000901098918 584385223 /nfs/dbraw/zinc/38/52/23/584385223.db2.gz PGPYEDGKQXPVTN-WAYWQWQTSA-N -1 3 246.332 0.138 20 0 BCADHM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CCN)CC1 ZINC000901097988 584385494 /nfs/dbraw/zinc/38/54/94/584385494.db2.gz JMUSUDRRVUQWMO-KYZUINATSA-N -1 3 248.348 0.217 20 0 BCADHM O=C([N-]C1=NCCS1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000901153704 584391789 /nfs/dbraw/zinc/39/17/89/584391789.db2.gz FKJYSYFKAWBWQH-PRJMDXOYSA-N -1 3 226.301 0.773 20 0 BCADHM CCC(C)(C)C(=O)C(=O)Nc1nnc(OC)[n-]1 ZINC000901288313 584422785 /nfs/dbraw/zinc/42/27/85/584422785.db2.gz UNNPMEMOCNKGSD-UHFFFAOYSA-N -1 3 240.263 0.757 20 0 BCADHM CCC(C)(C)C(=O)C(=O)Nc1n[n-]c(OC)n1 ZINC000901288313 584422786 /nfs/dbraw/zinc/42/27/86/584422786.db2.gz UNNPMEMOCNKGSD-UHFFFAOYSA-N -1 3 240.263 0.757 20 0 BCADHM CCC(C)(C)C(=O)C(=O)Nc1nc(OC)n[n-]1 ZINC000901288313 584422787 /nfs/dbraw/zinc/42/27/87/584422787.db2.gz UNNPMEMOCNKGSD-UHFFFAOYSA-N -1 3 240.263 0.757 20 0 BCADHM CC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)N(C)C ZINC000901429235 584444133 /nfs/dbraw/zinc/44/41/33/584444133.db2.gz TXIBCMPKNADOHS-BDAKNGLRSA-N -1 3 230.308 0.552 20 0 BCADHM CC[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)N(C)C ZINC000901429239 584444545 /nfs/dbraw/zinc/44/45/45/584444545.db2.gz TXIBCMPKNADOHS-RKDXNWHRSA-N -1 3 230.308 0.552 20 0 BCADHM CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])N(C)C ZINC000901457462 584450210 /nfs/dbraw/zinc/45/02/10/584450210.db2.gz MTOAGRFBDLDRSG-UWVGGRQHSA-N -1 3 244.335 0.942 20 0 BCADHM Cn1nccc1CN[C@@](C)(CCF)C(=O)[O-] ZINC000901914527 584503467 /nfs/dbraw/zinc/50/34/67/584503467.db2.gz BZDFMIFEXCPTIS-JTQLQIEISA-N -1 3 229.255 0.713 20 0 BCADHM Cn1cc(CN[C@@](C)(CCF)C(=O)[O-])cn1 ZINC000901920131 584504088 /nfs/dbraw/zinc/50/40/88/584504088.db2.gz WUDKCSYIITYZIG-JTQLQIEISA-N -1 3 229.255 0.713 20 0 BCADHM CC[C@](C)(CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1)OC ZINC000901909678 584505083 /nfs/dbraw/zinc/50/50/83/584505083.db2.gz JIYXFKMLMMWTCV-CKYFFXLPSA-N -1 3 245.319 0.975 20 0 BCADHM CCN(CC)CC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000902111472 584526744 /nfs/dbraw/zinc/52/67/44/584526744.db2.gz GNZMVMLCJWLJKP-LBPRGKRZSA-N -1 3 242.319 0.794 20 0 BCADHM C[C@H]1C[C@H]1c1nnc([N-]Cc2ncnn2C)o1 ZINC000902151936 584531006 /nfs/dbraw/zinc/53/10/06/584531006.db2.gz XSAJZAFAKFHWHI-NKWVEPMBSA-N -1 3 234.263 0.934 20 0 BCADHM C[C@H]1C[C@@H]1c1nnc([N-]Cc2ncnn2C)o1 ZINC000902151934 584531232 /nfs/dbraw/zinc/53/12/32/584531232.db2.gz XSAJZAFAKFHWHI-BQBZGAKWSA-N -1 3 234.263 0.934 20 0 BCADHM CC(=O)[N-]OCC1(Br)CC1 ZINC000902231862 584542261 /nfs/dbraw/zinc/54/22/61/584542261.db2.gz YWJFJBPFJDVUAX-UHFFFAOYSA-N -1 3 208.055 0.982 20 0 BCADHM [O-]C(=NO[C@@H]1CCCCO1)OC1COC1 ZINC000902834679 584679478 /nfs/dbraw/zinc/67/94/78/584679478.db2.gz HNYJLSLEWDAMOG-MRVPVSSYSA-N -1 3 217.221 0.570 20 0 BCADHM O=C([N-]O[C@@H]1CCCCO1)OC1COC1 ZINC000902834679 584679481 /nfs/dbraw/zinc/67/94/81/584679481.db2.gz HNYJLSLEWDAMOG-MRVPVSSYSA-N -1 3 217.221 0.570 20 0 BCADHM COc1nn(C)cc1C(=O)[N-]c1nonc1C ZINC000903040891 584720256 /nfs/dbraw/zinc/72/02/56/584720256.db2.gz XBZNNLFAFVDWTP-UHFFFAOYSA-N -1 3 237.219 0.372 20 0 BCADHM CCS(=O)(=O)[N-]c1cnc2nccn2c1 ZINC000903191070 584736159 /nfs/dbraw/zinc/73/61/59/584736159.db2.gz MSAREXYSQHFADI-UHFFFAOYSA-N -1 3 226.261 0.491 20 0 BCADHM O=C([O-])[C@@H]1COCCN1C[C@@H]1C[C@]12CCOC2 ZINC000903405813 584758387 /nfs/dbraw/zinc/75/83/87/584758387.db2.gz XDMXUEYUIDERMA-NHCYSSNCSA-N -1 3 241.287 0.198 20 0 BCADHM O=C([O-])[C@@H]1c2ccccc2OCCN1CCO ZINC000903926753 584824300 /nfs/dbraw/zinc/82/43/00/584824300.db2.gz GESNMYFNZBUVSE-NSHDSACASA-N -1 3 237.255 0.499 20 0 BCADHM O=C([O-])C1(NCc2ccc(F)nc2)CC1 ZINC000903989032 584835874 /nfs/dbraw/zinc/83/58/74/584835874.db2.gz OQWMGSSJWYYBPG-UHFFFAOYSA-N -1 3 210.208 0.928 20 0 BCADHM COC[C@@](C)(NCc1c[nH]nc1C)C(=O)[O-] ZINC000904009234 584837391 /nfs/dbraw/zinc/83/73/91/584837391.db2.gz ALWXRQRRBHIZLR-SNVBAGLBSA-N -1 3 227.264 0.297 20 0 BCADHM O=C([O-])[C@]1(NCc2ccncc2)CCOC1 ZINC000904010557 584837676 /nfs/dbraw/zinc/83/76/76/584837676.db2.gz XTBJGCXECXIXOE-NSHDSACASA-N -1 3 222.244 0.415 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCC1(C)CC1 ZINC000904189207 584848336 /nfs/dbraw/zinc/84/83/36/584848336.db2.gz FCTILIBIGLDWCN-UHFFFAOYSA-N -1 3 209.253 0.729 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1(C)CC=CC1 ZINC000904189208 584848466 /nfs/dbraw/zinc/84/84/66/584848466.db2.gz FDLNXMVSDYPMPY-UHFFFAOYSA-N -1 3 207.237 0.505 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1CC2(CC2)C1 ZINC000904190975 584848741 /nfs/dbraw/zinc/84/87/41/584848741.db2.gz NMCWNVAVVFZUPY-UHFFFAOYSA-N -1 3 207.237 0.339 20 0 BCADHM CO[C@@H](C(=O)[N-]c1nnnn1C)C1CCCC1 ZINC000904190917 584848831 /nfs/dbraw/zinc/84/88/31/584848831.db2.gz MMWCBMUCDBAPNC-MRVPVSSYSA-N -1 3 239.279 0.354 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904190473 584848842 /nfs/dbraw/zinc/84/88/42/584848842.db2.gz HXXLGCWDEQUCRR-CWKFCGSDSA-N -1 3 239.279 0.208 20 0 BCADHM C[C@H](CC(=O)[N-]c1nnnn1C)c1ccncc1 ZINC000904190011 584848999 /nfs/dbraw/zinc/84/89/99/584848999.db2.gz BWHGTSMOHQQJOA-MRVPVSSYSA-N -1 3 246.274 0.737 20 0 BCADHM CC[C@H]1CCC[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904191860 584849132 /nfs/dbraw/zinc/84/91/32/584849132.db2.gz QOKBWORZDRFDTN-YUMQZZPRSA-N -1 3 223.280 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000904191279 584849163 /nfs/dbraw/zinc/84/91/63/584849163.db2.gz IUBWVTDCAGPUHT-JGVFFNPUSA-N -1 3 221.264 0.585 20 0 BCADHM CC(C)OC1(C(=O)[N-]c2nnnn2C)CCC1 ZINC000904191745 584849232 /nfs/dbraw/zinc/84/92/32/584849232.db2.gz YDQSEHLMYBXECA-UHFFFAOYSA-N -1 3 239.279 0.496 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@]1(C)CC1(F)F ZINC000904192072 584849268 /nfs/dbraw/zinc/84/92/68/584849268.db2.gz YRZRZRLWQUNNEI-LURJTMIESA-N -1 3 217.179 0.194 20 0 BCADHM C[C@@H](CC(=O)[N-]c1nnnn1C)[C@H]1CCCO1 ZINC000904191370 584849526 /nfs/dbraw/zinc/84/95/26/584849526.db2.gz RKLLDGZUKQSYEM-JGVFFNPUSA-N -1 3 239.279 0.354 20 0 BCADHM CCOC1(C(=O)[N-]c2nnnn2C)CCCC1 ZINC000904194193 584849598 /nfs/dbraw/zinc/84/95/98/584849598.db2.gz XHFYJHDBKGWYIO-UHFFFAOYSA-N -1 3 239.279 0.498 20 0 BCADHM CO[C@@H]1CCC[C@@H](C(=O)[N-]c2nnnn2C)C1 ZINC000904193562 584849659 /nfs/dbraw/zinc/84/96/59/584849659.db2.gz JYUWQOMBXOTAFL-HTQZYQBOSA-N -1 3 239.279 0.354 20 0 BCADHM Cn1nnnc1[N-]C(=O)c1ocnc1C1CC1 ZINC000904194040 584849825 /nfs/dbraw/zinc/84/98/25/584849825.db2.gz REGMSZMOSKTCIB-UHFFFAOYSA-N -1 3 234.219 0.328 20 0 BCADHM COC[C@@H](C)[C@H](C)C(=O)[N-]c1nnnn1C ZINC000904193738 584849916 /nfs/dbraw/zinc/84/99/16/584849916.db2.gz MNVRMHOWLICXCN-RQJHMYQMSA-N -1 3 227.268 0.067 20 0 BCADHM COC1(C(=O)[N-]c2nnnn2C)CCCC1 ZINC000904195179 584850087 /nfs/dbraw/zinc/85/00/87/584850087.db2.gz LWPRNTUMXDXKSZ-UHFFFAOYSA-N -1 3 225.252 0.108 20 0 BCADHM CC(C)[C@@H](F)C(=O)[N-]c1nnnn1C ZINC000904194747 584850259 /nfs/dbraw/zinc/85/02/59/584850259.db2.gz DXXXIPJHUSSCCU-RXMQYKEDSA-N -1 3 201.205 0.143 20 0 BCADHM C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904195214 584850330 /nfs/dbraw/zinc/85/03/30/584850330.db2.gz RLKYCPLFAHLKOK-XPUUQOCRSA-N -1 3 237.263 0.154 20 0 BCADHM CC(C)OCCCC(=O)[N-]c1nnnn1C ZINC000904195057 584850397 /nfs/dbraw/zinc/85/03/97/584850397.db2.gz IKUDTKQWAAQGPA-UHFFFAOYSA-N -1 3 227.268 0.354 20 0 BCADHM CC[C@@H]1C[C@@H](C(=O)[N-]c2nnnn2C)CCO1 ZINC000904195878 584850494 /nfs/dbraw/zinc/85/04/94/584850494.db2.gz RZUDGJGNWJGTFY-JGVFFNPUSA-N -1 3 239.279 0.354 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCC1CCOCC1 ZINC000904198411 584850552 /nfs/dbraw/zinc/85/05/52/584850552.db2.gz CTWVUTSLYUOHTQ-UHFFFAOYSA-N -1 3 239.279 0.355 20 0 BCADHM CC/C(C)=C(/C)C(=O)[N-]c1nnnn1C ZINC000904196136 584850646 /nfs/dbraw/zinc/85/06/46/584850646.db2.gz UXBQCMKZOQYLBN-SREVYHEPSA-N -1 3 209.253 0.895 20 0 BCADHM CSCCCC(=O)[N-]c1nnnn1C ZINC000904198362 584850731 /nfs/dbraw/zinc/85/07/31/584850731.db2.gz AXHWREXFTLJNON-UHFFFAOYSA-N -1 3 215.282 0.292 20 0 BCADHM CCS[C@H](C(=O)[N-]c1nnnn1C)C(C)C ZINC000904199124 584850957 /nfs/dbraw/zinc/85/09/57/584850957.db2.gz GVTQGRHQQNBXPN-ZETCQYMHSA-N -1 3 243.336 0.926 20 0 BCADHM C[C@H](C(=O)[N-]c1nnnn1C)c1ccco1 ZINC000904200651 584851145 /nfs/dbraw/zinc/85/11/45/584851145.db2.gz YGKAHNPIVKPHKK-LURJTMIESA-N -1 3 221.220 0.545 20 0 BCADHM Cc1ccc(CC(=O)[N-]c2nnnn2C)cn1 ZINC000904198551 584851196 /nfs/dbraw/zinc/85/11/96/584851196.db2.gz AJSNKWNPMHHGSM-UHFFFAOYSA-N -1 3 232.247 0.095 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCCc1ccccn1 ZINC000904200077 584851246 /nfs/dbraw/zinc/85/12/46/584851246.db2.gz QFGDGMXDCAMBMD-UHFFFAOYSA-N -1 3 246.274 0.567 20 0 BCADHM CCC(CC)(CC(=O)[O-])NCc1nnnn1C ZINC000828804561 584904364 /nfs/dbraw/zinc/90/43/64/584904364.db2.gz QIBYAECIUTUCQL-UHFFFAOYSA-N -1 3 241.295 0.333 20 0 BCADHM COC[C@@H](C)CN(C)CCNC(=O)[O-] ZINC000828897953 584904519 /nfs/dbraw/zinc/90/45/19/584904519.db2.gz WCGMJRDCAKXAPL-QMMMGPOBSA-N -1 3 204.270 0.468 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000834628646 584914148 /nfs/dbraw/zinc/91/41/48/584914148.db2.gz VDAUCHASMVSLFU-YIZRAAEISA-N -1 3 241.287 0.420 20 0 BCADHM CCOC(=O)[C@H](C)OC(=O)c1cncc([O-])c1 ZINC000732392655 584936617 /nfs/dbraw/zinc/93/66/17/584936617.db2.gz ZWYXRHNFBRLFJY-ZETCQYMHSA-N -1 3 239.227 0.896 20 0 BCADHM COC(=O)[C@@H](C)OC(=O)c1cncc([O-])c1 ZINC000732395017 584936778 /nfs/dbraw/zinc/93/67/78/584936778.db2.gz ZOGGXHILLDKIDN-ZCFIWIBFSA-N -1 3 225.200 0.506 20 0 BCADHM CCC(CC)CS(=O)(=O)[N-][C@H]1CCOC1=O ZINC000733311087 584946796 /nfs/dbraw/zinc/94/67/96/584946796.db2.gz CDNZRPPBVPHRMU-VIFPVBQESA-N -1 3 249.332 0.658 20 0 BCADHM O=C(OCCCCO)c1cncc([O-])c1 ZINC000733496098 584950063 /nfs/dbraw/zinc/95/00/63/584950063.db2.gz XWBVTGPVOTYJOY-UHFFFAOYSA-N -1 3 211.217 0.717 20 0 BCADHM CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000735459042 584977350 /nfs/dbraw/zinc/97/73/50/584977350.db2.gz VXZISMBZSOSYQP-UHFFFAOYSA-N -1 3 235.222 0.989 20 0 BCADHM CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000735459042 584977351 /nfs/dbraw/zinc/97/73/51/584977351.db2.gz VXZISMBZSOSYQP-UHFFFAOYSA-N -1 3 235.222 0.989 20 0 BCADHM COC(=O)CSCCC(=O)[N-]OCC1CC1 ZINC000817334964 584985704 /nfs/dbraw/zinc/98/57/04/584985704.db2.gz USFKBZFLQVFOES-UHFFFAOYSA-N -1 3 247.316 0.741 20 0 BCADHM O=C(NCCNc1ccccc1)c1c[n-]nn1 ZINC000736187675 584991315 /nfs/dbraw/zinc/99/13/15/584991315.db2.gz ZGYSDZCZDDNRFK-UHFFFAOYSA-N -1 3 231.259 0.647 20 0 BCADHM O=C(NCCNc1ccccc1)c1cnn[n-]1 ZINC000736187675 584991316 /nfs/dbraw/zinc/99/13/16/584991316.db2.gz ZGYSDZCZDDNRFK-UHFFFAOYSA-N -1 3 231.259 0.647 20 0 BCADHM O=C(NCCNc1ccccc1)c1cn[n-]n1 ZINC000736187675 584991317 /nfs/dbraw/zinc/99/13/17/584991317.db2.gz ZGYSDZCZDDNRFK-UHFFFAOYSA-N -1 3 231.259 0.647 20 0 BCADHM CC(C)CON=c1[n-]ccn2nnnc12 ZINC000788076637 584998305 /nfs/dbraw/zinc/99/83/05/584998305.db2.gz PQCPPCHRKRQVSD-UHFFFAOYSA-N -1 3 208.225 0.519 20 0 BCADHM CC(C)C(=O)N1CCCN([C@@H](C)C(=O)[O-])CC1 ZINC000736345946 584998386 /nfs/dbraw/zinc/99/83/86/584998386.db2.gz VEYGVTNRJYADGT-JTQLQIEISA-N -1 3 242.319 0.650 20 0 BCADHM CCn1nnnc1[N-]C(=O)N[C@@H]1CC12CCC2 ZINC000888319572 584999452 /nfs/dbraw/zinc/99/94/52/584999452.db2.gz GRGHIUIEQSYJLD-SSDOTTSWSA-N -1 3 236.279 0.179 20 0 BCADHM CCCCC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736440367 585002426 /nfs/dbraw/zinc/00/24/26/585002426.db2.gz ZQAUFPZGALWKOC-UHFFFAOYSA-N -1 3 246.274 0.812 20 0 BCADHM CCCCC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736440367 585002427 /nfs/dbraw/zinc/00/24/27/585002427.db2.gz ZQAUFPZGALWKOC-UHFFFAOYSA-N -1 3 246.274 0.812 20 0 BCADHM CCNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736576484 585006462 /nfs/dbraw/zinc/00/64/62/585006462.db2.gz VCJAWXNAFNKKKW-UHFFFAOYSA-N -1 3 218.220 0.011 20 0 BCADHM CCNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736576484 585006463 /nfs/dbraw/zinc/00/64/63/585006463.db2.gz VCJAWXNAFNKKKW-UHFFFAOYSA-N -1 3 218.220 0.011 20 0 BCADHM CC(C)[C@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])N(C)C ZINC000736571184 585006479 /nfs/dbraw/zinc/00/64/79/585006479.db2.gz HRZSEDMQCVQLDJ-NXEZZACHSA-N -1 3 244.335 0.752 20 0 BCADHM CC(C)N(CCC(=O)[O-])CN1C[C@H](C)CC1=O ZINC000736750029 585011315 /nfs/dbraw/zinc/01/13/15/585011315.db2.gz NIXIZERXJZULQY-SNVBAGLBSA-N -1 3 242.319 0.997 20 0 BCADHM C[C@@H]1C[C@H](N(C)C(=O)CCC(=O)[O-])CCN1C ZINC000736757172 585011644 /nfs/dbraw/zinc/01/16/44/585011644.db2.gz YWQYKSODRTVPQJ-NXEZZACHSA-N -1 3 242.319 0.792 20 0 BCADHM CCn1nnnc1[N-]C(=O)N1CC(C(C)C)C1 ZINC000888332961 585012278 /nfs/dbraw/zinc/01/22/78/585012278.db2.gz OQRHAGMLSGAIJW-UHFFFAOYSA-N -1 3 238.295 0.235 20 0 BCADHM C[C@H]1CCCN(CC(=O)NCCC(=O)[O-])[C@H]1C ZINC000736794571 585014971 /nfs/dbraw/zinc/01/49/71/585014971.db2.gz QPVSIHMOGQPTKH-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCO[C@H](CN(C)C)C1 ZINC000736860162 585018197 /nfs/dbraw/zinc/01/81/97/585018197.db2.gz UDMZMCPQDKXKMG-NXEZZACHSA-N -1 3 230.308 0.112 20 0 BCADHM Cc1cc(-c2nnn[n-]2)ccc1OCC(N)=O ZINC000737221098 585027539 /nfs/dbraw/zinc/02/75/39/585027539.db2.gz FSLQAFGQVBHAEH-UHFFFAOYSA-N -1 3 233.231 0.039 20 0 BCADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(N)=O ZINC000737221098 585027540 /nfs/dbraw/zinc/02/75/40/585027540.db2.gz FSLQAFGQVBHAEH-UHFFFAOYSA-N -1 3 233.231 0.039 20 0 BCADHM CN1CCC[C@@H]1CNC(=O)CCCNC(=O)[O-] ZINC000737518148 585034853 /nfs/dbraw/zinc/03/48/53/585034853.db2.gz CFHFTNDPXMASFW-SECBINFHSA-N -1 3 243.307 0.245 20 0 BCADHM COC(=O)[C@@H](F)CNC(=O)c1ccccc1[O-] ZINC000838067534 585044405 /nfs/dbraw/zinc/04/44/05/585044405.db2.gz MSYRAPIOGKVPBQ-QMMMGPOBSA-N -1 3 241.218 0.633 20 0 BCADHM CC[C@@H](C)OC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000738594675 585048225 /nfs/dbraw/zinc/04/82/25/585048225.db2.gz JEKWYXLLADTJIP-RQJHMYQMSA-N -1 3 228.248 0.316 20 0 BCADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)CC2CCC2)C(=O)O1 ZINC000841525096 585058715 /nfs/dbraw/zinc/05/87/15/585058715.db2.gz QEOWBFXCDHWQJI-IONNQARKSA-N -1 3 247.316 0.410 20 0 BCADHM CC(=O)CCC(=O)[N-]OC[C@H]1CCOC1 ZINC000788120940 585077899 /nfs/dbraw/zinc/07/78/99/585077899.db2.gz YTJIFDDRZBVNND-VIFPVBQESA-N -1 3 215.249 0.440 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)[C@H]1CCSC1 ZINC000788121309 585078337 /nfs/dbraw/zinc/07/83/37/585078337.db2.gz IMGNOYGOQIBRBG-IUCAKERBSA-N -1 3 231.317 0.824 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)[C@H]1C[C@@]12CCOC2 ZINC000788124187 585080399 /nfs/dbraw/zinc/08/03/99/585080399.db2.gz VYWBJRZTCSCLSP-CKYFFXLPSA-N -1 3 241.287 0.497 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C(C)=C(C)C ZINC000839447883 585104229 /nfs/dbraw/zinc/10/42/29/585104229.db2.gz OKSPWXSWFZSMET-UHFFFAOYSA-N -1 3 237.263 0.459 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C(C)=C(C)C ZINC000839447883 585104230 /nfs/dbraw/zinc/10/42/30/585104230.db2.gz OKSPWXSWFZSMET-UHFFFAOYSA-N -1 3 237.263 0.459 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C(C)=C(C)C ZINC000839447883 585104231 /nfs/dbraw/zinc/10/42/31/585104231.db2.gz OKSPWXSWFZSMET-UHFFFAOYSA-N -1 3 237.263 0.459 20 0 BCADHM O=C(C[C@@H]1CCOC1)NCc1cncc([O-])c1 ZINC000886279873 585117276 /nfs/dbraw/zinc/11/72/76/585117276.db2.gz NATFGXJFCDTOJU-VIFPVBQESA-N -1 3 236.271 0.830 20 0 BCADHM Cc1noc(CO[N-]C(=O)C(C)(C)C)n1 ZINC000742356505 585124820 /nfs/dbraw/zinc/12/48/20/585124820.db2.gz PUKSWIDBJJXAPL-UHFFFAOYSA-N -1 3 213.237 0.972 20 0 BCADHM Cc1nonc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000742420500 585126218 /nfs/dbraw/zinc/12/62/18/585126218.db2.gz IQBJKIIQYNIYNS-UHFFFAOYSA-N -1 3 231.219 0.030 20 0 BCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Oc1ccccc1 ZINC000746104017 585163193 /nfs/dbraw/zinc/16/31/93/585163193.db2.gz ALEYXRDEQFCZOW-UHFFFAOYSA-N -1 3 247.210 0.689 20 0 BCADHM CCn1nc(C)c(NC(=O)c2nc[n-]n2)c1C ZINC000746193108 585164998 /nfs/dbraw/zinc/16/49/98/585164998.db2.gz AHFUYRHHCKTOJZ-UHFFFAOYSA-N -1 3 234.263 0.890 20 0 BCADHM COc1ccc(NC(=O)c2nc[n-]n2)c(C)n1 ZINC000746219093 585165804 /nfs/dbraw/zinc/16/58/04/585165804.db2.gz JSDKTHUYZDWVGG-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM CCC[C@@H](C)OC(=O)CN1CC(=O)[N-]C1=O ZINC000748122062 585187735 /nfs/dbraw/zinc/18/77/35/585187735.db2.gz KRYIIZQBIIIADS-SSDOTTSWSA-N -1 3 228.248 0.270 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)[N-]OCCOC ZINC000748770785 585195602 /nfs/dbraw/zinc/19/56/02/585195602.db2.gz SCAANZXJRYTUOW-SNVBAGLBSA-N -1 3 230.308 0.555 20 0 BCADHM COCCO[N-]C(=O)CC1(O)CCCCC1 ZINC000748780917 585195796 /nfs/dbraw/zinc/19/57/96/585195796.db2.gz ONSLFSZJEGYRHW-UHFFFAOYSA-N -1 3 231.292 0.766 20 0 BCADHM COCCO[N-]C(=O)Cc1[nH]nc2ccccc21 ZINC000748776381 585195974 /nfs/dbraw/zinc/19/59/74/585195974.db2.gz HTKKECKULMAYFN-UHFFFAOYSA-N -1 3 249.270 0.800 20 0 BCADHM COCCON=C([O-])Nc1nccs1 ZINC000749016142 585198294 /nfs/dbraw/zinc/19/82/94/585198294.db2.gz YJLHFNDBFAOUQD-UHFFFAOYSA-N -1 3 217.250 0.843 20 0 BCADHM COCCO[N-]C(=O)Nc1nccs1 ZINC000749016142 585198295 /nfs/dbraw/zinc/19/82/95/585198295.db2.gz YJLHFNDBFAOUQD-UHFFFAOYSA-N -1 3 217.250 0.843 20 0 BCADHM COCCON=C([O-])Nc1cccnc1 ZINC000749017312 585198303 /nfs/dbraw/zinc/19/83/03/585198303.db2.gz TZLNHMDUYPFDEG-UHFFFAOYSA-N -1 3 211.221 0.781 20 0 BCADHM COCCO[N-]C(=O)Nc1cccnc1 ZINC000749017312 585198304 /nfs/dbraw/zinc/19/83/04/585198304.db2.gz TZLNHMDUYPFDEG-UHFFFAOYSA-N -1 3 211.221 0.781 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)[N-]OCC ZINC000749564583 585204094 /nfs/dbraw/zinc/20/40/94/585204094.db2.gz GSLPMPWNMPTVKF-SECBINFHSA-N -1 3 200.282 0.929 20 0 BCADHM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)CCCF ZINC000750155451 585211744 /nfs/dbraw/zinc/21/17/44/585211744.db2.gz MZVMXEAGOZSJKM-SSDOTTSWSA-N -1 3 241.284 0.217 20 0 BCADHM Cc1ccc(NC(=O)c2nc[n-]n2)c(N(C)C)n1 ZINC000750528668 585216795 /nfs/dbraw/zinc/21/67/95/585216795.db2.gz JHSNUZMPLBOOEA-UHFFFAOYSA-N -1 3 246.274 0.826 20 0 BCADHM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)CC ZINC000751982919 585240399 /nfs/dbraw/zinc/24/03/99/585240399.db2.gz SLELOUHYAKKDTE-VIFPVBQESA-N -1 3 249.332 0.658 20 0 BCADHM COCc1nc(CO[N-]C(C)=O)cs1 ZINC000753119462 585253792 /nfs/dbraw/zinc/25/37/92/585253792.db2.gz ZESXCKIHCCTIPO-UHFFFAOYSA-N -1 3 216.262 0.857 20 0 BCADHM COCCCO[N-]C(=O)C[C@H](C)COC ZINC000805038900 585256881 /nfs/dbraw/zinc/25/68/81/585256881.db2.gz IIGKMDIOYNNQBS-VIFPVBQESA-N -1 3 219.281 0.743 20 0 BCADHM COCCCO[N-]C(=O)CCOCC1CC1 ZINC000805038748 585257013 /nfs/dbraw/zinc/25/70/13/585257013.db2.gz DHWYPXNYUYDUDZ-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1CCSC1 ZINC000805040656 585257560 /nfs/dbraw/zinc/25/75/60/585257560.db2.gz SLULZAQIMRAWOA-MRVPVSSYSA-N -1 3 219.306 0.824 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1CCOC[C@H]1C ZINC000805044114 585261117 /nfs/dbraw/zinc/26/11/17/585261117.db2.gz GFDPVYMXPHXLHM-ZJUUUORDSA-N -1 3 231.292 0.743 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1CCOC[C@@H]1C ZINC000805044112 585261284 /nfs/dbraw/zinc/26/12/84/585261284.db2.gz GFDPVYMXPHXLHM-UWVGGRQHSA-N -1 3 231.292 0.743 20 0 BCADHM COCCCO[N-]C(=O)CC[C@H](C)OC ZINC000805045391 585264007 /nfs/dbraw/zinc/26/40/07/585264007.db2.gz PFUKQUOVOMPFMW-VIFPVBQESA-N -1 3 219.281 0.886 20 0 BCADHM COc1cc(C(=O)OCCO)cc(OC)c1[O-] ZINC000754276338 585281857 /nfs/dbraw/zinc/28/18/57/585281857.db2.gz NFRXJXZFBLDZNB-UHFFFAOYSA-N -1 3 242.227 0.559 20 0 BCADHM C[C@](O)(CC(=O)[N-]C1=NCCS1)C1CC1 ZINC000755426205 585299216 /nfs/dbraw/zinc/29/92/16/585299216.db2.gz RSCXEUXMUDMURE-JTQLQIEISA-N -1 3 228.317 0.757 20 0 BCADHM CO[N-]C(=O)CCC(=O)NC1CCCC1 ZINC000755450583 585299632 /nfs/dbraw/zinc/29/96/32/585299632.db2.gz XITQAFNYZJVEMC-UHFFFAOYSA-N -1 3 214.265 0.503 20 0 BCADHM CCC1(C(=O)[N-]OCC(C)(C)O)CC1 ZINC000839738269 585338208 /nfs/dbraw/zinc/33/82/08/585338208.db2.gz GFDGWJUSJKOJNH-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM COCC(C)(C)CC(=O)[N-]OCC(C)(C)O ZINC000839744462 585339878 /nfs/dbraw/zinc/33/98/78/585339878.db2.gz BTNDEHYJEFPMBR-UHFFFAOYSA-N -1 3 233.308 0.868 20 0 BCADHM CCOC(=O)[C@@H](CC)C(=O)[N-]OCCN(C)C ZINC000839781385 585341553 /nfs/dbraw/zinc/34/15/53/585341553.db2.gz NZTHOQRUKALVRC-VIFPVBQESA-N -1 3 246.307 0.185 20 0 BCADHM Cc1nc(C)c(NC([O-])=NOCC(N)=O)s1 ZINC000757590620 585342722 /nfs/dbraw/zinc/34/27/22/585342722.db2.gz PVSCVXVHYIOJTJ-UHFFFAOYSA-N -1 3 244.276 0.298 20 0 BCADHM Cc1nc(C)c(NC(=O)[N-]OCC(N)=O)s1 ZINC000757590620 585342723 /nfs/dbraw/zinc/34/27/23/585342723.db2.gz PVSCVXVHYIOJTJ-UHFFFAOYSA-N -1 3 244.276 0.298 20 0 BCADHM CCON=C([O-])Nc1cc(CCOC)nn1C ZINC000759993504 585383875 /nfs/dbraw/zinc/38/38/75/585383875.db2.gz NCYWCKWRCLMSRW-UHFFFAOYSA-N -1 3 242.279 0.682 20 0 BCADHM CCO[N-]C(=O)Nc1cc(CCOC)nn1C ZINC000759993504 585383876 /nfs/dbraw/zinc/38/38/76/585383876.db2.gz NCYWCKWRCLMSRW-UHFFFAOYSA-N -1 3 242.279 0.682 20 0 BCADHM CCON=C([O-])Nc1cccc(C(N)=O)n1 ZINC000759993599 585383922 /nfs/dbraw/zinc/38/39/22/585383922.db2.gz JQWGWLRNJKWHBO-UHFFFAOYSA-N -1 3 224.220 0.254 20 0 BCADHM CCO[N-]C(=O)Nc1cccc(C(N)=O)n1 ZINC000759993599 585383923 /nfs/dbraw/zinc/38/39/23/585383923.db2.gz JQWGWLRNJKWHBO-UHFFFAOYSA-N -1 3 224.220 0.254 20 0 BCADHM CC(C)N(C)CC(=O)[N-]OCC(F)F ZINC000760141303 585385924 /nfs/dbraw/zinc/38/59/24/585385924.db2.gz LVPDFAFZTWBNET-UHFFFAOYSA-N -1 3 210.224 0.640 20 0 BCADHM O=C(OCc1cc(=O)c([O-])co1)c1cncnc1 ZINC000760800416 585397437 /nfs/dbraw/zinc/39/74/37/585397437.db2.gz ONFKEEGMFRQNOT-UHFFFAOYSA-N -1 3 248.194 0.492 20 0 BCADHM O=C(Nc1cccc2c1CNC2=O)c1nc[n-]n1 ZINC000805242489 585430336 /nfs/dbraw/zinc/43/03/36/585430336.db2.gz LPJJOXADBDWVSG-UHFFFAOYSA-N -1 3 243.226 0.300 20 0 BCADHM O=C([N-]C1=NCCS1)[C@H]1C[C@@]12CCOC2 ZINC000763401811 585447704 /nfs/dbraw/zinc/44/77/04/585447704.db2.gz DYSXSYXJZPAAMX-GMSGAONNSA-N -1 3 226.301 0.632 20 0 BCADHM O=C(OC[C@H]1COC(=O)O1)c1cncc([O-])c1 ZINC000763969849 585458103 /nfs/dbraw/zinc/45/81/03/585458103.db2.gz FOLBMCCJUJABID-QMMMGPOBSA-N -1 3 239.183 0.479 20 0 BCADHM COCCO[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC000764203988 585461688 /nfs/dbraw/zinc/46/16/88/585461688.db2.gz GXAYZGHUYLJYKL-PSASIEDQSA-N -1 3 215.249 0.107 20 0 BCADHM O=C([N-]C1=NCCS1)C1(O)CCSCC1 ZINC000764631494 585469501 /nfs/dbraw/zinc/46/95/01/585469501.db2.gz HOSLOMZNFGIOIS-UHFFFAOYSA-N -1 3 246.357 0.464 20 0 BCADHM Cc1cc(C)nc(NC([O-])=NOCC(N)=O)c1 ZINC000765298278 585483676 /nfs/dbraw/zinc/48/36/76/585483676.db2.gz FTBGWDUSIOKBNK-UHFFFAOYSA-N -1 3 238.247 0.237 20 0 BCADHM Cc1cc(C)nc(NC(=O)[N-]OCC(N)=O)c1 ZINC000765298278 585483677 /nfs/dbraw/zinc/48/36/77/585483677.db2.gz FTBGWDUSIOKBNK-UHFFFAOYSA-N -1 3 238.247 0.237 20 0 BCADHM O=Cc1n[n-]c2cc(C(=O)OCCCO)ccc12 ZINC000766173316 585498756 /nfs/dbraw/zinc/49/87/56/585498756.db2.gz IMJCXCAJQPISRS-UHFFFAOYSA-N -1 3 248.238 0.915 20 0 BCADHM O=Cc1[n-]nc2cc(C(=O)OCCCO)ccc12 ZINC000766173316 585498757 /nfs/dbraw/zinc/49/87/57/585498757.db2.gz IMJCXCAJQPISRS-UHFFFAOYSA-N -1 3 248.238 0.915 20 0 BCADHM O=C(O[C@@H]1CCCNC1=O)c1ccc([O-])cc1 ZINC000767253505 585515857 /nfs/dbraw/zinc/51/58/57/585515857.db2.gz BQZVMGQZXXAILA-SNVBAGLBSA-N -1 3 235.239 0.828 20 0 BCADHM O=C1OCC[C@@H]1[N-]S(=O)(=O)CC1CCC1 ZINC000771723276 585599456 /nfs/dbraw/zinc/59/94/56/585599456.db2.gz FCHTTWLGIDQKKV-QMMMGPOBSA-N -1 3 233.289 0.021 20 0 BCADHM NC(=O)COC(=O)c1c([O-])cccc1F ZINC000772577194 585618409 /nfs/dbraw/zinc/61/84/09/585618409.db2.gz FVJUMMMPZBRPSP-UHFFFAOYSA-N -1 3 213.164 0.173 20 0 BCADHM CCOCCO[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000772690809 585620707 /nfs/dbraw/zinc/62/07/07/585620707.db2.gz BXEIRKHKDHJXPF-SNAWJCMRSA-N -1 3 239.275 0.518 20 0 BCADHM CCOCCO[N-]C(=O)C[C@@H]1CCOC1 ZINC000772695004 585620874 /nfs/dbraw/zinc/62/08/74/585620874.db2.gz FTKYCJCZXDYQOM-VIFPVBQESA-N -1 3 217.265 0.497 20 0 BCADHM CCOCCO[N-]C(=O)CCCn1cccn1 ZINC000772699905 585621141 /nfs/dbraw/zinc/62/11/41/585621141.db2.gz XVEBJVWXEWECQX-UHFFFAOYSA-N -1 3 241.291 0.748 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@H]2CCOC2)CC1 ZINC000773551580 585640455 /nfs/dbraw/zinc/64/04/55/585640455.db2.gz UFNLKJHUAMRNNE-VIFPVBQESA-N -1 3 228.292 0.165 20 0 BCADHM CO[C@@H](C)C(=O)[N-]OC1CCN(C)CC1 ZINC000773551485 585640465 /nfs/dbraw/zinc/64/04/65/585640465.db2.gz SEOCURIPUKTATH-QMMMGPOBSA-N -1 3 216.281 0.163 20 0 BCADHM C[C@@H](CC(N)=O)C(=O)[N-]O[C@H]1CCCCO1 ZINC000773893532 585645891 /nfs/dbraw/zinc/64/58/91/585645891.db2.gz INRMGUGNRGJSIA-CBAPKCEASA-N -1 3 230.264 0.072 20 0 BCADHM CCOCCO[N-]C(=O)CCCC(=O)N(C)C ZINC000775246148 585674115 /nfs/dbraw/zinc/67/41/15/585674115.db2.gz YULVIDLUSKCPIZ-UHFFFAOYSA-N -1 3 246.307 0.329 20 0 BCADHM CCN(CC)CC(=O)[N-]OC1CCOCC1 ZINC000775244800 585674156 /nfs/dbraw/zinc/67/41/56/585674156.db2.gz FMVVDEGPNHUOHF-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM Cc1n[n-]nc1C(=O)O[C@H](C)C(=O)C1CC1 ZINC000805545101 585678009 /nfs/dbraw/zinc/67/80/09/585678009.db2.gz CRDHNBPWIZAGJO-ZCFIWIBFSA-N -1 3 223.232 0.638 20 0 BCADHM Cc1n[n-]nc1C(=O)OCC(=O)C1CCC1 ZINC000805545721 585678384 /nfs/dbraw/zinc/67/83/84/585678384.db2.gz BRECVAJNDCPJBU-UHFFFAOYSA-N -1 3 223.232 0.639 20 0 BCADHM COc1ccc(COC(=O)c2n[n-]nc2C)nn1 ZINC000805545714 585678386 /nfs/dbraw/zinc/67/83/86/585678386.db2.gz BIMXNZWISFJNAF-UHFFFAOYSA-N -1 3 249.230 0.269 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCn1ccccc1=O ZINC000805545862 585678707 /nfs/dbraw/zinc/67/87/07/585678707.db2.gz GGEFLXQVPMGYLP-UHFFFAOYSA-N -1 3 248.242 0.132 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCCn1ccnc1 ZINC000805545890 585678848 /nfs/dbraw/zinc/67/88/48/585678848.db2.gz AXCLMOMSXFAELY-UHFFFAOYSA-N -1 3 235.247 0.557 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1ccon1 ZINC000805546132 585679068 /nfs/dbraw/zinc/67/90/68/585679068.db2.gz JJJPWAXMYWPPCK-UHFFFAOYSA-N -1 3 208.177 0.458 20 0 BCADHM Cc1cc(COC(=O)c2n[n-]nc2C)nn1C ZINC000805546878 585679632 /nfs/dbraw/zinc/67/96/32/585679632.db2.gz ORIZCNUDZPXWJB-UHFFFAOYSA-N -1 3 235.247 0.512 20 0 BCADHM CCCOC(=O)[C@@H](C)OC(=O)c1n[n-]nc1C ZINC000805547866 585681078 /nfs/dbraw/zinc/68/10/78/585681078.db2.gz LBKRDWXXULDPJR-SSDOTTSWSA-N -1 3 241.247 0.612 20 0 BCADHM CCON=C([O-])Nc1cc(OC)n(C)n1 ZINC000775921708 585687199 /nfs/dbraw/zinc/68/71/99/585687199.db2.gz ORCWDQPBOCSTMZ-UHFFFAOYSA-N -1 3 214.225 0.502 20 0 BCADHM CCO[N-]C(=O)Nc1cc(OC)n(C)n1 ZINC000775921708 585687200 /nfs/dbraw/zinc/68/72/00/585687200.db2.gz ORCWDQPBOCSTMZ-UHFFFAOYSA-N -1 3 214.225 0.502 20 0 BCADHM COc1ccc(NC([O-])=NOCCO)cc1 ZINC000776295000 585694830 /nfs/dbraw/zinc/69/48/30/585694830.db2.gz BYNJNECDBUGLIG-UHFFFAOYSA-N -1 3 226.232 0.741 20 0 BCADHM COc1ccc(NC(=O)[N-]OCCO)cc1 ZINC000776295000 585694831 /nfs/dbraw/zinc/69/48/31/585694831.db2.gz BYNJNECDBUGLIG-UHFFFAOYSA-N -1 3 226.232 0.741 20 0 BCADHM CN(C)c1ccc(NC([O-])=NOCCO)cn1 ZINC000776296927 585695287 /nfs/dbraw/zinc/69/52/87/585695287.db2.gz YFPRDBISTSUKDW-UHFFFAOYSA-N -1 3 240.263 0.193 20 0 BCADHM CN(C)c1ccc(NC(=O)[N-]OCCO)cn1 ZINC000776296927 585695288 /nfs/dbraw/zinc/69/52/88/585695288.db2.gz YFPRDBISTSUKDW-UHFFFAOYSA-N -1 3 240.263 0.193 20 0 BCADHM [O-]C(=NOCCO)Nc1ccnc(Cl)c1 ZINC000776306301 585695634 /nfs/dbraw/zinc/69/56/34/585695634.db2.gz QFKQAVUDBLSNBV-UHFFFAOYSA-N -1 3 231.639 0.780 20 0 BCADHM O=C([N-]OCCO)Nc1ccnc(Cl)c1 ZINC000776306301 585695635 /nfs/dbraw/zinc/69/56/35/585695635.db2.gz QFKQAVUDBLSNBV-UHFFFAOYSA-N -1 3 231.639 0.780 20 0 BCADHM O=C([N-]OCCO)c1c(F)cccc1F ZINC000776579167 585701047 /nfs/dbraw/zinc/70/10/47/585701047.db2.gz INMXYYMEGPWMDR-UHFFFAOYSA-N -1 3 217.171 0.619 20 0 BCADHM COc1ccc(CC(=O)[N-]OCCO)cc1F ZINC000776582456 585701282 /nfs/dbraw/zinc/70/12/82/585701282.db2.gz UFLJTDVOORZVGF-UHFFFAOYSA-N -1 3 243.234 0.417 20 0 BCADHM COc1cccc(CCC(=O)[N-]OCCO)c1 ZINC000776583074 585701286 /nfs/dbraw/zinc/70/12/86/585701286.db2.gz CQARTDIUVUABFP-UHFFFAOYSA-N -1 3 239.271 0.668 20 0 BCADHM C[C@H]1CC[C@@H](CCC(=O)[N-]OCCO)O1 ZINC000776583320 585701293 /nfs/dbraw/zinc/70/12/93/585701293.db2.gz GAFMEFGUILWVSF-IUCAKERBSA-N -1 3 217.265 0.374 20 0 BCADHM COc1cccc(CC(=O)[N-]OCCO)c1 ZINC000776584051 585701526 /nfs/dbraw/zinc/70/15/26/585701526.db2.gz JGAJDJRQVUZKFU-UHFFFAOYSA-N -1 3 225.244 0.278 20 0 BCADHM O=C(Cc1cccc(F)c1)[N-]OCCO ZINC000776583731 585701573 /nfs/dbraw/zinc/70/15/73/585701573.db2.gz FFZQWASBRQMKBL-UHFFFAOYSA-N -1 3 213.208 0.408 20 0 BCADHM O=C([N-]OCCO)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000776584430 585701701 /nfs/dbraw/zinc/70/17/01/585701701.db2.gz MMFLZGBWWUZTNV-QWRGUYRKSA-N -1 3 239.246 0.969 20 0 BCADHM Cc1ccc(C(=O)NN2CN=NC2=O)c([O-])c1 ZINC000777768578 585719207 /nfs/dbraw/zinc/71/92/07/585719207.db2.gz RZRJVZMCSQLNCE-UHFFFAOYSA-N -1 3 234.215 0.382 20 0 BCADHM Cc1ccc(F)c(C(=O)[N-]N2CN=NC2=O)c1 ZINC000777766831 585719617 /nfs/dbraw/zinc/71/96/17/585719617.db2.gz AJVKWJUSNNCIOO-UHFFFAOYSA-N -1 3 236.206 0.815 20 0 BCADHM O=C([N-]N1CN=NC1=O)c1cc(F)cc(F)c1 ZINC000777769685 585719955 /nfs/dbraw/zinc/71/99/55/585719955.db2.gz VYUROAMLYNHDCR-UHFFFAOYSA-N -1 3 240.169 0.646 20 0 BCADHM O=C(Nn1ccccc1=O)c1ccccc1[O-] ZINC000777783877 585720096 /nfs/dbraw/zinc/72/00/96/585720096.db2.gz NUWGBWJCPCLYQX-UHFFFAOYSA-N -1 3 230.223 0.938 20 0 BCADHM C[C@H]1C[C@@H](COC(=O)c2cnn[n-]2)CCO1 ZINC000805602872 585727056 /nfs/dbraw/zinc/72/70/56/585727056.db2.gz CXEYTYHMUMKSAJ-YUMQZZPRSA-N -1 3 225.248 0.777 20 0 BCADHM C[C@H]1C[C@@H](COC(=O)c2c[n-]nn2)CCO1 ZINC000805602872 585727057 /nfs/dbraw/zinc/72/70/57/585727057.db2.gz CXEYTYHMUMKSAJ-YUMQZZPRSA-N -1 3 225.248 0.777 20 0 BCADHM CC(C)CNC(=O)[C@@H](C)OC(=O)c1cnn[n-]1 ZINC000805603074 585727482 /nfs/dbraw/zinc/72/74/82/585727482.db2.gz GBTSIAJGQCRIIC-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM CC(C)CNC(=O)[C@@H](C)OC(=O)c1c[n-]nn1 ZINC000805603074 585727483 /nfs/dbraw/zinc/72/74/83/585727483.db2.gz GBTSIAJGQCRIIC-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM CCc1nnc([C@H](C)OC(=O)c2cnn[n-]2)o1 ZINC000805603153 585728029 /nfs/dbraw/zinc/72/80/29/585728029.db2.gz DTPIHDKNCFEHSE-YFKPBYRVSA-N -1 3 237.219 0.668 20 0 BCADHM CCc1nnc([C@H](C)OC(=O)c2c[n-]nn2)o1 ZINC000805603153 585728030 /nfs/dbraw/zinc/72/80/30/585728030.db2.gz DTPIHDKNCFEHSE-YFKPBYRVSA-N -1 3 237.219 0.668 20 0 BCADHM Cc1noc(C)c1COC(=O)c1cnn[n-]1 ZINC000805603236 585728139 /nfs/dbraw/zinc/72/81/39/585728139.db2.gz JKHBIOXHHZBNGF-UHFFFAOYSA-N -1 3 222.204 0.767 20 0 BCADHM Cc1noc(C)c1COC(=O)c1c[n-]nn1 ZINC000805603236 585728140 /nfs/dbraw/zinc/72/81/40/585728140.db2.gz JKHBIOXHHZBNGF-UHFFFAOYSA-N -1 3 222.204 0.767 20 0 BCADHM O=C(OCc1nccs1)c1cnn[n-]1 ZINC000805603574 585728704 /nfs/dbraw/zinc/72/87/04/585728704.db2.gz QHDXHPMTSKERRV-UHFFFAOYSA-N -1 3 210.218 0.618 20 0 BCADHM O=C(OCc1nccs1)c1c[n-]nn1 ZINC000805603574 585728705 /nfs/dbraw/zinc/72/87/05/585728705.db2.gz QHDXHPMTSKERRV-UHFFFAOYSA-N -1 3 210.218 0.618 20 0 BCADHM O=C(OCc1nccn1C(F)F)c1cnn[n-]1 ZINC000805603966 585730091 /nfs/dbraw/zinc/73/00/91/585730091.db2.gz ZAOBHYPTQMONPJ-UHFFFAOYSA-N -1 3 243.173 0.753 20 0 BCADHM O=C(OCc1nccn1C(F)F)c1c[n-]nn1 ZINC000805603966 585730092 /nfs/dbraw/zinc/73/00/92/585730092.db2.gz ZAOBHYPTQMONPJ-UHFFFAOYSA-N -1 3 243.173 0.753 20 0 BCADHM Cc1nc(COC(=O)c2cnn[n-]2)cs1 ZINC000805604624 585730885 /nfs/dbraw/zinc/73/08/85/585730885.db2.gz DCOOJCXPBMJLDI-UHFFFAOYSA-N -1 3 224.245 0.927 20 0 BCADHM Cc1nc(COC(=O)c2c[n-]nn2)cs1 ZINC000805604624 585730886 /nfs/dbraw/zinc/73/08/86/585730886.db2.gz DCOOJCXPBMJLDI-UHFFFAOYSA-N -1 3 224.245 0.927 20 0 BCADHM CC(C)(C)C(=O)COC(=O)c1cnn[n-]1 ZINC000805604819 585731524 /nfs/dbraw/zinc/73/15/24/585731524.db2.gz GSXIABYYVTTXJJ-UHFFFAOYSA-N -1 3 211.221 0.577 20 0 BCADHM CC(C)(C)C(=O)COC(=O)c1c[n-]nn1 ZINC000805604819 585731525 /nfs/dbraw/zinc/73/15/25/585731525.db2.gz GSXIABYYVTTXJJ-UHFFFAOYSA-N -1 3 211.221 0.577 20 0 BCADHM CCN(CC)C(=O)[C@@H](C)OC(=O)c1cnn[n-]1 ZINC000805605913 585732709 /nfs/dbraw/zinc/73/27/09/585732709.db2.gz CLPWSBNYEGZRKV-SSDOTTSWSA-N -1 3 240.263 0.218 20 0 BCADHM CCN(CC)C(=O)[C@@H](C)OC(=O)c1c[n-]nn1 ZINC000805605913 585732710 /nfs/dbraw/zinc/73/27/10/585732710.db2.gz CLPWSBNYEGZRKV-SSDOTTSWSA-N -1 3 240.263 0.218 20 0 BCADHM Cc1nccn1CCOC(=O)c1cnn[n-]1 ZINC000805606206 585732976 /nfs/dbraw/zinc/73/29/76/585732976.db2.gz UTSNYCCNLMRZPM-UHFFFAOYSA-N -1 3 221.220 0.167 20 0 BCADHM Cc1nccn1CCOC(=O)c1c[n-]nn1 ZINC000805606206 585732977 /nfs/dbraw/zinc/73/29/77/585732977.db2.gz UTSNYCCNLMRZPM-UHFFFAOYSA-N -1 3 221.220 0.167 20 0 BCADHM Cc1nccn1CCOC(=O)c1cn[n-]n1 ZINC000805606206 585732978 /nfs/dbraw/zinc/73/29/78/585732978.db2.gz UTSNYCCNLMRZPM-UHFFFAOYSA-N -1 3 221.220 0.167 20 0 BCADHM CC[C@@H](C)C(=O)COC(=O)c1cnn[n-]1 ZINC000805606756 585733896 /nfs/dbraw/zinc/73/38/96/585733896.db2.gz MMIVRQSAEPVJOT-ZCFIWIBFSA-N -1 3 211.221 0.577 20 0 BCADHM CC[C@@H](C)C(=O)COC(=O)c1c[n-]nn1 ZINC000805606756 585733897 /nfs/dbraw/zinc/73/38/97/585733897.db2.gz MMIVRQSAEPVJOT-ZCFIWIBFSA-N -1 3 211.221 0.577 20 0 BCADHM COc1ccnc(COC(=O)c2cnn[n-]2)c1 ZINC000805607448 585735013 /nfs/dbraw/zinc/73/50/13/585735013.db2.gz KUVXAAPQSHRFCV-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM COc1ccnc(COC(=O)c2c[n-]nn2)c1 ZINC000805607448 585735014 /nfs/dbraw/zinc/73/50/14/585735014.db2.gz KUVXAAPQSHRFCV-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM O=C(OCCC1OCCCO1)c1cnn[n-]1 ZINC000805607808 585735043 /nfs/dbraw/zinc/73/50/43/585735043.db2.gz QYLPCYFNVYEJIO-UHFFFAOYSA-N -1 3 227.220 0.115 20 0 BCADHM O=C(OCCC1OCCCO1)c1c[n-]nn1 ZINC000805607808 585735044 /nfs/dbraw/zinc/73/50/44/585735044.db2.gz QYLPCYFNVYEJIO-UHFFFAOYSA-N -1 3 227.220 0.115 20 0 BCADHM CCCc1nc(COC(=O)c2cnn[n-]2)no1 ZINC000805607788 585735181 /nfs/dbraw/zinc/73/51/81/585735181.db2.gz QGZXHYHEIFNOMK-UHFFFAOYSA-N -1 3 237.219 0.497 20 0 BCADHM CCCc1nc(COC(=O)c2c[n-]nn2)no1 ZINC000805607788 585735182 /nfs/dbraw/zinc/73/51/82/585735182.db2.gz QGZXHYHEIFNOMK-UHFFFAOYSA-N -1 3 237.219 0.497 20 0 BCADHM O=C(O[C@H]1Cc2ccccc2C1=O)c1cnn[n-]1 ZINC000805607989 585735378 /nfs/dbraw/zinc/73/53/78/585735378.db2.gz VUBUQTNQEPNZFD-JTQLQIEISA-N -1 3 243.222 0.769 20 0 BCADHM O=C(O[C@H]1Cc2ccccc2C1=O)c1c[n-]nn1 ZINC000805607989 585735379 /nfs/dbraw/zinc/73/53/79/585735379.db2.gz VUBUQTNQEPNZFD-JTQLQIEISA-N -1 3 243.222 0.769 20 0 BCADHM Cc1ccc(COC(=O)c2cnn[n-]2)nc1 ZINC000805608878 585735648 /nfs/dbraw/zinc/73/56/48/585735648.db2.gz JZKCOOVIKWBVDH-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM Cc1ccc(COC(=O)c2c[n-]nn2)nc1 ZINC000805608878 585735649 /nfs/dbraw/zinc/73/56/49/585735649.db2.gz JZKCOOVIKWBVDH-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM CC(C)[C@@H](OC(=O)c1cnn[n-]1)C(=O)N(C)C ZINC000805609099 585735819 /nfs/dbraw/zinc/73/58/19/585735819.db2.gz MXISYILTUJBBTK-MRVPVSSYSA-N -1 3 240.263 0.074 20 0 BCADHM CC(C)[C@@H](OC(=O)c1c[n-]nn1)C(=O)N(C)C ZINC000805609099 585735820 /nfs/dbraw/zinc/73/58/20/585735820.db2.gz MXISYILTUJBBTK-MRVPVSSYSA-N -1 3 240.263 0.074 20 0 BCADHM CCOc1ccc(COC(=O)c2cnn[n-]2)nc1 ZINC000805609810 585736371 /nfs/dbraw/zinc/73/63/71/585736371.db2.gz UZWBQGFRNFSQTR-UHFFFAOYSA-N -1 3 248.242 0.955 20 0 BCADHM CCOc1ccc(COC(=O)c2c[n-]nn2)nc1 ZINC000805609810 585736372 /nfs/dbraw/zinc/73/63/72/585736372.db2.gz UZWBQGFRNFSQTR-UHFFFAOYSA-N -1 3 248.242 0.955 20 0 BCADHM Cc1cc(C(=O)OCc2nnnn2C)ccc1[O-] ZINC000778854686 585741502 /nfs/dbraw/zinc/74/15/02/585741502.db2.gz XNICSZQTAJHHFW-UHFFFAOYSA-N -1 3 248.242 0.581 20 0 BCADHM Cc1cc(C(=O)OCC(N)=O)ccc1[O-] ZINC000778852913 585741521 /nfs/dbraw/zinc/74/15/21/585741521.db2.gz MWKBVIGXDWZVIZ-UHFFFAOYSA-N -1 3 209.201 0.343 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ncccn1 ZINC000778964432 585743180 /nfs/dbraw/zinc/74/31/80/585743180.db2.gz QDHBSOFIWALXCW-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM Cn1nnnc1[N-]C(=O)/C=C\c1ccco1 ZINC000779466924 585755401 /nfs/dbraw/zinc/75/54/01/585755401.db2.gz XCNZKOVJLQFYEI-PLNGDYQASA-N -1 3 219.204 0.455 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CC=CCC1 ZINC000779466235 585755477 /nfs/dbraw/zinc/75/54/77/585755477.db2.gz DOPVHVRRIOTYED-ZETCQYMHSA-N -1 3 207.237 0.505 20 0 BCADHM CC(C)CO[N-]C(=O)CCCCC(N)=O ZINC000779654272 585758485 /nfs/dbraw/zinc/75/84/85/585758485.db2.gz XIQGEYAKYPXLMP-UHFFFAOYSA-N -1 3 216.281 0.736 20 0 BCADHM CC[C@@H](CO)C(=O)Nc1nnc(SC)[n-]1 ZINC000779750444 585760897 /nfs/dbraw/zinc/76/08/97/585760897.db2.gz CBRNPNWSXMHKSR-YFKPBYRVSA-N -1 3 230.293 0.484 20 0 BCADHM CC[C@@H](CO)C(=O)Nc1nc(SC)n[n-]1 ZINC000779750444 585760898 /nfs/dbraw/zinc/76/08/98/585760898.db2.gz CBRNPNWSXMHKSR-YFKPBYRVSA-N -1 3 230.293 0.484 20 0 BCADHM CC[C@@H](CO)C(=O)Nc1n[n-]c(SC)n1 ZINC000779750444 585760899 /nfs/dbraw/zinc/76/08/99/585760899.db2.gz CBRNPNWSXMHKSR-YFKPBYRVSA-N -1 3 230.293 0.484 20 0 BCADHM C[C@H]1CCCN(CCNC(=O)NCC(=O)[O-])C1 ZINC000780413614 585778932 /nfs/dbraw/zinc/77/89/32/585778932.db2.gz FCMUJUQXIVVCPH-VIFPVBQESA-N -1 3 243.307 0.102 20 0 BCADHM Cc1cccc(C(=O)NN2CCCC2=O)c1[O-] ZINC000780700533 585783077 /nfs/dbraw/zinc/78/30/77/585783077.db2.gz PZXQLAYXCJNSAI-UHFFFAOYSA-N -1 3 234.255 0.968 20 0 BCADHM Cc1cccc(C(=O)[N-]N2CN=NC2=O)c1F ZINC000782125665 585807784 /nfs/dbraw/zinc/80/77/84/585807784.db2.gz MGVKNUJULNOHHJ-UHFFFAOYSA-N -1 3 236.206 0.815 20 0 BCADHM C[C@@H](C(=O)[N-]N1CCCNC1=O)C(F)(F)F ZINC000783605073 585838125 /nfs/dbraw/zinc/83/81/25/585838125.db2.gz VBMIYWJSGUCKSS-YFKPBYRVSA-N -1 3 239.197 0.631 20 0 BCADHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]Cc1ccon1 ZINC000785500252 585875081 /nfs/dbraw/zinc/87/50/81/585875081.db2.gz JNIPQCDFYAWFTR-CBAPKCEASA-N -1 3 246.288 0.271 20 0 BCADHM CCO[N-]C(=O)CCc1ccc(=O)[nH]c1 ZINC000786831948 585897710 /nfs/dbraw/zinc/89/77/10/585897710.db2.gz MBMGKKQSLIODPT-UHFFFAOYSA-N -1 3 210.233 0.788 20 0 BCADHM C[C@H](O)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000787003846 585899786 /nfs/dbraw/zinc/89/97/86/585899786.db2.gz IVKVBXVNCVRSPL-VIFPVBQESA-N -1 3 246.270 0.646 20 0 BCADHM COCCO[N-]C(=O)[C@H]1CCc2nccn2C1 ZINC000787117067 585901591 /nfs/dbraw/zinc/90/15/91/585901591.db2.gz WTWOIJXDOCWAKL-VIFPVBQESA-N -1 3 239.275 0.140 20 0 BCADHM CC[C@](C)([N-]C(=O)C(F)F)C(=O)OC ZINC000787275514 585904516 /nfs/dbraw/zinc/90/45/16/585904516.db2.gz MXBBIXRYFACKKE-QMMMGPOBSA-N -1 3 209.192 0.709 20 0 BCADHM COc1cccc(C[N-]C(=O)C(F)F)n1 ZINC000787275233 585904694 /nfs/dbraw/zinc/90/46/94/585904694.db2.gz OFSSZUAQHWTXBK-UHFFFAOYSA-N -1 3 216.187 0.972 20 0 BCADHM C[C@H](CC(=O)[N-]OCCO)c1cccnc1 ZINC000787286565 585904914 /nfs/dbraw/zinc/90/49/14/585904914.db2.gz ZVOHWUMJZIPKBB-SECBINFHSA-N -1 3 224.260 0.615 20 0 BCADHM C[C@H](CC(=O)[N-]OCCO)n1cccc1 ZINC000787287153 585905169 /nfs/dbraw/zinc/90/51/69/585905169.db2.gz RGKGCQUGDOZMDQ-SECBINFHSA-N -1 3 212.249 0.479 20 0 BCADHM O=C(CCc1cscn1)[N-]OCCO ZINC000787291677 585905313 /nfs/dbraw/zinc/90/53/13/585905313.db2.gz BRBLDGMYSGDICU-UHFFFAOYSA-N -1 3 216.262 0.116 20 0 BCADHM CC(C)[C@]1(C)C[C@H]1C(=O)[N-]OCCO ZINC000787291760 585905401 /nfs/dbraw/zinc/90/54/01/585905401.db2.gz CQNNKHBWZPVECV-WPRPVWTQSA-N -1 3 201.266 0.709 20 0 BCADHM CCC1(C(=O)[N-]OCCO)CCCC1 ZINC000787291941 585905577 /nfs/dbraw/zinc/90/55/77/585905577.db2.gz DEQQYLCFZLXJOH-UHFFFAOYSA-N -1 3 201.266 0.997 20 0 BCADHM O=C(C[C@H](O)c1cccc(F)c1)[N-]OCCO ZINC000787292882 585905704 /nfs/dbraw/zinc/90/57/04/585905704.db2.gz TUEOVONGLAPBQY-JTQLQIEISA-N -1 3 243.234 0.289 20 0 BCADHM CC[C@@H]1C[C@H](CC(=O)[N-]OCCO)CCO1 ZINC000787296124 585905721 /nfs/dbraw/zinc/90/57/21/585905721.db2.gz UWAJHJZSVJOESK-NXEZZACHSA-N -1 3 231.292 0.622 20 0 BCADHM Cc1nc(CCC(=O)[N-]OCCO)cs1 ZINC000787294775 585905929 /nfs/dbraw/zinc/90/59/29/585905929.db2.gz DEZYHOPFPMUNJA-UHFFFAOYSA-N -1 3 230.289 0.424 20 0 BCADHM CCCOC(=O)[C@@H](C)Sc1n[n-]c(CO)n1 ZINC000787485422 585910412 /nfs/dbraw/zinc/91/04/12/585910412.db2.gz BTZYWYBQRBYOSE-ZCFIWIBFSA-N -1 3 245.304 0.731 20 0 BCADHM CCOC(CCNC(=O)c1c[n-]nn1)OCC ZINC000787522633 585910953 /nfs/dbraw/zinc/91/09/53/585910953.db2.gz PDCUVVWLONOJPW-UHFFFAOYSA-N -1 3 242.279 0.324 20 0 BCADHM CCOC(CCNC(=O)c1cnn[n-]1)OCC ZINC000787522633 585910954 /nfs/dbraw/zinc/91/09/54/585910954.db2.gz PDCUVVWLONOJPW-UHFFFAOYSA-N -1 3 242.279 0.324 20 0 BCADHM CCOC(CCNC(=O)c1cn[n-]n1)OCC ZINC000787522633 585910955 /nfs/dbraw/zinc/91/09/55/585910955.db2.gz PDCUVVWLONOJPW-UHFFFAOYSA-N -1 3 242.279 0.324 20 0 BCADHM C[C@@H]([N-]C(=O)C(F)F)c1nnnn1C1CC1 ZINC000787578428 585912140 /nfs/dbraw/zinc/91/21/40/585912140.db2.gz VMZLRBSVBOSPPI-SCSAIBSYSA-N -1 3 231.206 0.450 20 0 BCADHM O=C(CCOCC1CC1)[N-]OC[C@H]1CCOC1 ZINC000788272526 585920710 /nfs/dbraw/zinc/92/07/10/585920710.db2.gz BEJZGOFAPFPHFL-NSHDSACASA-N -1 3 243.303 0.887 20 0 BCADHM O=C([N-]O[C@@H]1CCCCO1)c1cccc(=O)[nH]1 ZINC000788296365 585921135 /nfs/dbraw/zinc/92/11/35/585921135.db2.gz LZXNJRQMMGVYKP-SNVBAGLBSA-N -1 3 238.243 0.975 20 0 BCADHM COC(=O)c1cnc(SC[C@H](C)CO)[n-]1 ZINC000788506891 585925924 /nfs/dbraw/zinc/92/59/24/585925924.db2.gz YUJMYXICKPPCHN-ZCFIWIBFSA-N -1 3 230.289 0.917 20 0 BCADHM CC(=O)CC(C)(C)CC(=O)[N-]OCCO ZINC000788535501 585926476 /nfs/dbraw/zinc/92/64/76/585926476.db2.gz YOKCLQBKYQVVSX-UHFFFAOYSA-N -1 3 217.265 0.422 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000788568905 585927059 /nfs/dbraw/zinc/92/70/59/585927059.db2.gz DTDVUJSJKFZWJX-UWVGGRQHSA-N -1 3 231.292 0.622 20 0 BCADHM CN1CCCC[C@@H]1C(=O)[N-]OC[C@H]1CCOC1 ZINC000788574470 585927166 /nfs/dbraw/zinc/92/71/66/585927166.db2.gz LUQKAPRGLOLCCO-WDEREUQCSA-N -1 3 242.319 0.555 20 0 BCADHM CCCN(C)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000788572021 585927169 /nfs/dbraw/zinc/92/71/69/585927169.db2.gz SDFAOXUEDLWZJY-JTQLQIEISA-N -1 3 230.308 0.413 20 0 BCADHM CSCC[C@H](O)C(=O)[N-]C1=NCCS1 ZINC000788633373 585928333 /nfs/dbraw/zinc/92/83/33/585928333.db2.gz VBCXCFAIZGHEIV-LURJTMIESA-N -1 3 234.346 0.319 20 0 BCADHM COc1ccc(NC(=O)c2n[n-]nc2C)nc1 ZINC000789962782 585954965 /nfs/dbraw/zinc/95/49/65/585954965.db2.gz OKWNHTYOPXKSFL-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM Cc1nsc([N-]C(=O)c2n[nH]nc2C)n1 ZINC000789964520 585954983 /nfs/dbraw/zinc/95/49/83/585954983.db2.gz BCTUIEZKYHDESY-UHFFFAOYSA-N -1 3 224.249 0.525 20 0 BCADHM Cc1n[n-]nc1C(=O)Nc1ccnn1CC1CC1 ZINC000789986187 585955468 /nfs/dbraw/zinc/95/54/68/585955468.db2.gz KLWPBHAECFIEKT-UHFFFAOYSA-N -1 3 246.274 0.972 20 0 BCADHM CCCS(=O)(=O)[N-]c1ccnc2ncnn21 ZINC000790638715 585967268 /nfs/dbraw/zinc/96/72/68/585967268.db2.gz QTGMRMMSDXQUBP-UHFFFAOYSA-N -1 3 241.276 0.276 20 0 BCADHM CC[C@H](C(=O)[N-]OCC(C)(C)O)N(CC)CC ZINC000791263715 585975560 /nfs/dbraw/zinc/97/55/60/585975560.db2.gz ZEAKAGYQEQNNEN-SNVBAGLBSA-N -1 3 246.351 0.926 20 0 BCADHM CC(C)(O)CO[N-]C(=O)/C=C\c1cccnc1 ZINC000791263194 585975731 /nfs/dbraw/zinc/97/57/31/585975731.db2.gz SGUVECMZJOFBSE-WAYWQWQTSA-N -1 3 236.271 0.914 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C[C@H]1CCCCO1 ZINC000791264535 585975795 /nfs/dbraw/zinc/97/57/95/585975795.db2.gz SXWSYSKUJAHVQO-SECBINFHSA-N -1 3 231.292 0.764 20 0 BCADHM C[C@H]1CN(C(=O)c2csc(=O)[n-]2)CCN1C ZINC000792202295 585997852 /nfs/dbraw/zinc/99/78/52/585997852.db2.gz XVZLRCPOVOQIIY-ZETCQYMHSA-N -1 3 241.316 0.625 20 0 BCADHM COCCON=C([O-])Nc1cnn(C)c1 ZINC000792211422 585998079 /nfs/dbraw/zinc/99/80/79/585998079.db2.gz CGTZCMHNWLXRNJ-UHFFFAOYSA-N -1 3 214.225 0.120 20 0 BCADHM COCCO[N-]C(=O)Nc1cnn(C)c1 ZINC000792211422 585998080 /nfs/dbraw/zinc/99/80/80/585998080.db2.gz CGTZCMHNWLXRNJ-UHFFFAOYSA-N -1 3 214.225 0.120 20 0 BCADHM COCCON=C([O-])Nc1cc(C)c(C)nn1 ZINC000792308884 585999789 /nfs/dbraw/zinc/99/97/89/585999789.db2.gz QRHZHYQSIRGYNS-UHFFFAOYSA-N -1 3 240.263 0.793 20 0 BCADHM COCCO[N-]C(=O)Nc1cc(C)c(C)nn1 ZINC000792308884 585999790 /nfs/dbraw/zinc/99/97/90/585999790.db2.gz QRHZHYQSIRGYNS-UHFFFAOYSA-N -1 3 240.263 0.793 20 0 BCADHM COCCON=C([O-])Nc1ccnnc1C ZINC000792364453 585999969 /nfs/dbraw/zinc/99/99/69/585999969.db2.gz ZWSIOBASDONWSH-UHFFFAOYSA-N -1 3 226.236 0.485 20 0 BCADHM COCCO[N-]C(=O)Nc1ccnnc1C ZINC000792364453 585999970 /nfs/dbraw/zinc/99/99/70/585999970.db2.gz ZWSIOBASDONWSH-UHFFFAOYSA-N -1 3 226.236 0.485 20 0 BCADHM Cc1nccc(NC(=O)[N-]OCCO)c1Cl ZINC000792355403 586000102 /nfs/dbraw/zinc/00/01/02/586000102.db2.gz RXSSECKSHCCSQD-UHFFFAOYSA-N -1 3 245.666 0.511 20 0 BCADHM O=C([N-]OCC(F)F)C1=CCOCC1 ZINC000793812516 586027058 /nfs/dbraw/zinc/02/70/58/586027058.db2.gz AKLAUBPGZKXYBS-UHFFFAOYSA-N -1 3 207.176 0.646 20 0 BCADHM CCOCCO[N-]C(=O)CCc1c[nH]cn1 ZINC000793842172 586027857 /nfs/dbraw/zinc/02/78/57/586027857.db2.gz AQUZBOSRCNRKDK-UHFFFAOYSA-N -1 3 227.264 0.427 20 0 BCADHM CCOCCO[N-]C(=O)CCc1cnc[nH]1 ZINC000793842172 586027858 /nfs/dbraw/zinc/02/78/58/586027858.db2.gz AQUZBOSRCNRKDK-UHFFFAOYSA-N -1 3 227.264 0.427 20 0 BCADHM CSCCO[N-]C(=O)C[C@@](C)(O)C1CC1 ZINC000794180472 586034011 /nfs/dbraw/zinc/03/40/11/586034011.db2.gz JPSFWQCZQYCFFM-SNVBAGLBSA-N -1 3 233.333 0.948 20 0 BCADHM CSCCO[N-]C(=O)C[C@](C)(O)C1CC1 ZINC000794180471 586034223 /nfs/dbraw/zinc/03/42/23/586034223.db2.gz JPSFWQCZQYCFFM-JTQLQIEISA-N -1 3 233.333 0.948 20 0 BCADHM CSCCO[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000794184168 586034509 /nfs/dbraw/zinc/03/45/09/586034509.db2.gz PZGUFDMUFSLJQO-ONEGZZNKSA-N -1 3 241.316 0.844 20 0 BCADHM CSCCO[N-]C(=O)CCC(C)(C)O ZINC000794190591 586034685 /nfs/dbraw/zinc/03/46/85/586034685.db2.gz IWDLUODVBBRIKJ-UHFFFAOYSA-N -1 3 221.322 0.948 20 0 BCADHM CCOCCO[N-]C(=O)CCc1cncnc1 ZINC000794432283 586039132 /nfs/dbraw/zinc/03/91/32/586039132.db2.gz FESYGMLCANYZOK-UHFFFAOYSA-N -1 3 239.275 0.494 20 0 BCADHM O=C(OC[C@H]1CCC[C@H](O)C1)c1cnn[n-]1 ZINC000795597027 586088176 /nfs/dbraw/zinc/08/81/76/586088176.db2.gz ARRYWQCDYSKGCU-YUMQZZPRSA-N -1 3 225.248 0.513 20 0 BCADHM O=C(OC[C@H]1CCC[C@H](O)C1)c1c[n-]nn1 ZINC000795597027 586088178 /nfs/dbraw/zinc/08/81/78/586088178.db2.gz ARRYWQCDYSKGCU-YUMQZZPRSA-N -1 3 225.248 0.513 20 0 BCADHM O=C(OC[C@@H]1CCC[C@H](O)C1)c1cnn[n-]1 ZINC000795597025 586088516 /nfs/dbraw/zinc/08/85/16/586088516.db2.gz ARRYWQCDYSKGCU-SFYZADRCSA-N -1 3 225.248 0.513 20 0 BCADHM O=C(OC[C@@H]1CCC[C@H](O)C1)c1c[n-]nn1 ZINC000795597025 586088517 /nfs/dbraw/zinc/08/85/17/586088517.db2.gz ARRYWQCDYSKGCU-SFYZADRCSA-N -1 3 225.248 0.513 20 0 BCADHM C[C@@H]1[C@@H](C(=O)[N-]OCC(N)=O)[C@H]1c1ccccc1 ZINC000797748547 586130504 /nfs/dbraw/zinc/13/05/04/586130504.db2.gz KEJHHSDFVNXZON-XXILOJSOSA-N -1 3 248.282 0.569 20 0 BCADHM O=C(Oc1ccc2c(c1)CC(=O)N2)c1nnc[n-]1 ZINC000797766881 586130710 /nfs/dbraw/zinc/13/07/10/586130710.db2.gz LXDDSQVPUKHVKM-UHFFFAOYSA-N -1 3 244.210 0.519 20 0 BCADHM O=C(Oc1ccc2c(c1)CC(=O)N2)c1ncn[n-]1 ZINC000797766881 586130711 /nfs/dbraw/zinc/13/07/11/586130711.db2.gz LXDDSQVPUKHVKM-UHFFFAOYSA-N -1 3 244.210 0.519 20 0 BCADHM O=C(Oc1ccc2c(c1)CC(=O)N2)c1nc[n-]n1 ZINC000797766881 586130712 /nfs/dbraw/zinc/13/07/12/586130712.db2.gz LXDDSQVPUKHVKM-UHFFFAOYSA-N -1 3 244.210 0.519 20 0 BCADHM O=C([N-]OCCO)[C@H]1CCC(F)(F)C1 ZINC000797752143 586130834 /nfs/dbraw/zinc/13/08/34/586130834.db2.gz BAYBGVAEYYPBIS-LURJTMIESA-N -1 3 209.192 0.462 20 0 BCADHM CO[N-]C(=O)Cc1ccc([S@](C)=O)cc1 ZINC000797821216 586132244 /nfs/dbraw/zinc/13/22/44/586132244.db2.gz IVUHXWUZVSFCMZ-HNNXBMFYSA-N -1 3 227.285 0.644 20 0 BCADHM CC(=O)CCCC(=O)[N-]OCC(C)(C)O ZINC000798249390 586141863 /nfs/dbraw/zinc/14/18/63/586141863.db2.gz KDDBEBNPHAGVJD-UHFFFAOYSA-N -1 3 217.265 0.564 20 0 BCADHM COCCCON=C([O-])Nc1ccnn1C ZINC000806410769 586412240 /nfs/dbraw/zinc/41/22/40/586412240.db2.gz QLJCCQPZLJBXMS-UHFFFAOYSA-N -1 3 228.252 0.510 20 0 BCADHM COCCCO[N-]C(=O)Nc1ccnn1C ZINC000806410769 586412241 /nfs/dbraw/zinc/41/22/41/586412241.db2.gz QLJCCQPZLJBXMS-UHFFFAOYSA-N -1 3 228.252 0.510 20 0 BCADHM [O-]C(=NOCCO)Nc1cc2n(n1)CCCC2 ZINC000806720261 586417272 /nfs/dbraw/zinc/41/72/72/586417272.db2.gz XGRDLEMTXZTDHQ-UHFFFAOYSA-N -1 3 240.263 0.265 20 0 BCADHM O=C([N-]OCCO)Nc1cc2n(n1)CCCC2 ZINC000806720261 586417273 /nfs/dbraw/zinc/41/72/73/586417273.db2.gz XGRDLEMTXZTDHQ-UHFFFAOYSA-N -1 3 240.263 0.265 20 0 BCADHM CC(F)(F)C(=O)[N-]CC(=O)NCc1ccco1 ZINC000808453782 586472628 /nfs/dbraw/zinc/47/26/28/586472628.db2.gz PEAQKYYODKLROX-UHFFFAOYSA-N -1 3 246.213 0.667 20 0 BCADHM CC[C@@H](C)CS(=O)(=O)[N-][C@]1(C)CCOC1=O ZINC000810104685 586534205 /nfs/dbraw/zinc/53/42/05/586534205.db2.gz OHRCCQKDLBOGFR-PSASIEDQSA-N -1 3 249.332 0.658 20 0 BCADHM CCCCS(=O)(=O)[N-][C@]1(C)CCOC1=O ZINC000810103348 586534235 /nfs/dbraw/zinc/53/42/35/586534235.db2.gz PUANOEWZQPTWRF-SECBINFHSA-N -1 3 235.305 0.412 20 0 BCADHM CCCCCS(=O)(=O)[N-][C@@]1(C)CCOC1=O ZINC000810102453 586534308 /nfs/dbraw/zinc/53/43/08/586534308.db2.gz HYWPKJMMUGPAGX-JTQLQIEISA-N -1 3 249.332 0.802 20 0 BCADHM O=C([N-]OC/C=C/Cl)[C@H]1CCNC(=O)C1 ZINC000812400700 586575535 /nfs/dbraw/zinc/57/55/35/586575535.db2.gz BVOOLIGDRDRPQS-RMKMGNDCSA-N -1 3 232.667 0.313 20 0 BCADHM O=C([N-]OC/C=C\Cl)[C@H]1CCNC(=O)C1 ZINC000812400701 586575577 /nfs/dbraw/zinc/57/55/77/586575577.db2.gz BVOOLIGDRDRPQS-YYHMEYGGSA-N -1 3 232.667 0.313 20 0 BCADHM CN1CC[C@@H](C(=O)[N-]OC/C=C\Cl)CC1=O ZINC000812400689 586575800 /nfs/dbraw/zinc/57/58/00/586575800.db2.gz BQYKGCLMLMWFHR-DLRBJTRDSA-N -1 3 246.694 0.655 20 0 BCADHM COCCC(=O)[N-]OCCOC(C)C ZINC000812802990 586584390 /nfs/dbraw/zinc/58/43/90/586584390.db2.gz OFYLDFCPGIRTPG-UHFFFAOYSA-N -1 3 205.254 0.496 20 0 BCADHM C[C@H](CS(C)(=O)=O)C(=O)[N-]OC1CCC1 ZINC000812792185 586585536 /nfs/dbraw/zinc/58/55/36/586585536.db2.gz OHRAXQDKRJXGMW-SSDOTTSWSA-N -1 3 235.305 0.267 20 0 BCADHM CC[C@@H](C(=O)[N-]OCCOC(C)C)N(C)C ZINC000812803538 586586534 /nfs/dbraw/zinc/58/65/34/586586534.db2.gz LLNDXAKUCGYIEP-JTQLQIEISA-N -1 3 232.324 0.799 20 0 BCADHM Cn1cnc(C(=O)[N-]c2cccc3nonc32)n1 ZINC000813240880 586598501 /nfs/dbraw/zinc/59/85/01/586598501.db2.gz WNDZTQAPWQYRPF-UHFFFAOYSA-N -1 3 244.214 0.604 20 0 BCADHM C[C@@](O)(C(=O)[N-]C1=NCCS1)C1CCC1 ZINC000813379213 586601664 /nfs/dbraw/zinc/60/16/64/586601664.db2.gz XGMNUSVWCKEHBN-JTQLQIEISA-N -1 3 228.317 0.757 20 0 BCADHM CCn1nc(C)c(CC(=O)[N-]OC)c1C ZINC000814276647 586620850 /nfs/dbraw/zinc/62/08/50/586620850.db2.gz YFRMBFNCQZWNAI-UHFFFAOYSA-N -1 3 211.265 0.740 20 0 BCADHM CCO[N-]C(=O)Cc1cn(C)nc1Cl ZINC000814421875 586621989 /nfs/dbraw/zinc/62/19/89/586621989.db2.gz LMNHEYTYHLULLE-UHFFFAOYSA-N -1 3 217.656 0.684 20 0 BCADHM O=C(OCCC1CCOCC1)c1cnn[n-]1 ZINC000814477395 586622591 /nfs/dbraw/zinc/62/25/91/586622591.db2.gz KFNYROLJHPCQFA-UHFFFAOYSA-N -1 3 225.248 0.778 20 0 BCADHM O=C(OCCC1CCOCC1)c1c[n-]nn1 ZINC000814477395 586622592 /nfs/dbraw/zinc/62/25/92/586622592.db2.gz KFNYROLJHPCQFA-UHFFFAOYSA-N -1 3 225.248 0.778 20 0 BCADHM [O-]C(=NOCC1CC1)Nc1cccnn1 ZINC000814666241 586627464 /nfs/dbraw/zinc/62/74/64/586627464.db2.gz BRHZDQOIXAMBHF-UHFFFAOYSA-N -1 3 208.221 0.940 20 0 BCADHM O=C([N-]OCC1CC1)Nc1cccnn1 ZINC000814666241 586627466 /nfs/dbraw/zinc/62/74/66/586627466.db2.gz BRHZDQOIXAMBHF-UHFFFAOYSA-N -1 3 208.221 0.940 20 0 BCADHM C[C@H]1CC[C@@H](OC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000815207322 586673343 /nfs/dbraw/zinc/67/33/43/586673343.db2.gz BKVIXWHTKMVORS-JGVFFNPUSA-N -1 3 240.259 0.270 20 0 BCADHM COC(=O)[C@H]([N-]C(=O)C(C)(F)F)C1CC1 ZINC000815736123 586693067 /nfs/dbraw/zinc/69/30/67/586693067.db2.gz NAHDTWOLCWVGLW-ZCFIWIBFSA-N -1 3 221.203 0.709 20 0 BCADHM CCn1nc(C)c(C(=O)[N-]c2ccon2)n1 ZINC000815917920 586696964 /nfs/dbraw/zinc/69/69/64/586696964.db2.gz ZCNATYOVCWVMTG-UHFFFAOYSA-N -1 3 221.220 0.847 20 0 BCADHM CCn1ncc(C(=O)[N-]c2ccon2)n1 ZINC000815917815 586697286 /nfs/dbraw/zinc/69/72/86/586697286.db2.gz VMDQGLIELBRUTH-UHFFFAOYSA-N -1 3 207.193 0.538 20 0 BCADHM COC(=O)c1cc(C(=O)O[C@H]2CCOC2)c[n-]1 ZINC000815941010 586698809 /nfs/dbraw/zinc/69/88/09/586698809.db2.gz NNGALORUJPCFMS-QMMMGPOBSA-N -1 3 239.227 0.747 20 0 BCADHM COC(=O)c1cc(C(=O)NOCC(F)F)c[n-]1 ZINC000816105402 586709317 /nfs/dbraw/zinc/70/93/17/586709317.db2.gz DQVLGPDDNKNCSD-UHFFFAOYSA-N -1 3 248.185 0.728 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1CCCN1C1CC1 ZINC000816381430 586722876 /nfs/dbraw/zinc/72/28/76/586722876.db2.gz MBEVUFYYWHSXAH-JTQLQIEISA-N -1 3 242.319 0.432 20 0 BCADHM COCC(C)(C)C(=O)[N-]OC1CCN(C)CC1 ZINC000816533868 586739560 /nfs/dbraw/zinc/73/95/60/586739560.db2.gz MRWKKALXZOVBAR-UHFFFAOYSA-N -1 3 244.335 0.801 20 0 BCADHM O=C(C=Cc1ccc[nH]1)[N-]c1nnc2[nH]cnn12 ZINC000816656429 586753203 /nfs/dbraw/zinc/75/32/03/586753203.db2.gz RHVUZYMIOXODFU-ONEGZZNKSA-N -1 3 243.230 0.432 20 0 BCADHM CC=C(CC)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000816654876 586753570 /nfs/dbraw/zinc/75/35/70/586753570.db2.gz FERIGGIYVUUNGN-ZZXKWVIFSA-N -1 3 220.236 0.747 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@H]2COC(=O)C2)c1 ZINC000816678422 586754771 /nfs/dbraw/zinc/75/47/71/586754771.db2.gz GHGUVNWKKJLXIR-QMMMGPOBSA-N -1 3 235.239 0.746 20 0 BCADHM Cc1cccc(C(=O)N[C@@H]2COC(=O)C2)c1[O-] ZINC000816680247 586755277 /nfs/dbraw/zinc/75/52/77/586755277.db2.gz CZYVRRUDFVGLCH-QMMMGPOBSA-N -1 3 235.239 0.746 20 0 BCADHM CC(F)(F)C(=O)[N-][C@]1(C)CCOC1=O ZINC000816778996 586763735 /nfs/dbraw/zinc/76/37/35/586763735.db2.gz QTNFNTZTFFYIPT-SSDOTTSWSA-N -1 3 207.176 0.463 20 0 BCADHM O=C(Cc1ncc[nH]1)Nc1ncccc1[O-] ZINC000816822931 586766171 /nfs/dbraw/zinc/76/61/71/586766171.db2.gz BDOQPMAIEWPCCV-UHFFFAOYSA-N -1 3 218.216 0.692 20 0 BCADHM NC(=O)[C@H]1CC[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000816845669 586768264 /nfs/dbraw/zinc/76/82/64/586768264.db2.gz YNTUKFANRCVOIY-WDEREUQCSA-N -1 3 248.282 0.746 20 0 BCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000816845667 586768520 /nfs/dbraw/zinc/76/85/20/586768520.db2.gz YNTUKFANRCVOIY-MNOVXSKESA-N -1 3 248.282 0.746 20 0 BCADHM O=C(C[C@H]1CCC(=O)N1)[N-]O[C@H]1CCCCO1 ZINC000816913211 586771546 /nfs/dbraw/zinc/77/15/46/586771546.db2.gz BTNYABTVHGBWBX-KCJUWKMLSA-N -1 3 242.275 0.230 20 0 BCADHM NC(=O)N1CCC[C@H](C(=O)[N-]OCC2CC2)C1 ZINC000817344808 586797900 /nfs/dbraw/zinc/79/79/00/586797900.db2.gz VUDYBHZDZYEOOE-VIFPVBQESA-N -1 3 241.291 0.235 20 0 BCADHM C[C@@](O)(CC(=O)[N-]OCC1CC1)C1CC1 ZINC000817344385 586798089 /nfs/dbraw/zinc/79/80/89/586798089.db2.gz DEXVULOIVXIROF-LLVKDONJSA-N -1 3 213.277 0.995 20 0 BCADHM O=C([N-]OCCC1CC1)[C@@H]1CCC(=O)NC1 ZINC000817383254 586800025 /nfs/dbraw/zinc/80/00/25/586800025.db2.gz HZPZKTVDYMCYPN-SECBINFHSA-N -1 3 226.276 0.361 20 0 BCADHM O=C([N-]OCCC1CC1)[C@H]1CCC(=O)NC1 ZINC000817383255 586800109 /nfs/dbraw/zinc/80/01/09/586800109.db2.gz HZPZKTVDYMCYPN-VIFPVBQESA-N -1 3 226.276 0.361 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@]1(C)CC1(F)F ZINC000817608112 586813620 /nfs/dbraw/zinc/81/36/20/586813620.db2.gz IQJXUKGPTGCJLT-QMMMGPOBSA-N -1 3 222.235 0.641 20 0 BCADHM CON(C)C(=O)CNC(=O)c1ccccc1[O-] ZINC000817664822 586816775 /nfs/dbraw/zinc/81/67/75/586816775.db2.gz UQJNVLAFWTVNKH-UHFFFAOYSA-N -1 3 238.243 0.142 20 0 BCADHM CC(C)N(C)C(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000817728017 586821900 /nfs/dbraw/zinc/82/19/00/586821900.db2.gz VFGZOAMLCVXWSZ-SECBINFHSA-N -1 3 230.308 0.648 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)Cc1cnc2ccnn2c1 ZINC000817779371 586827643 /nfs/dbraw/zinc/82/76/43/586827643.db2.gz LNIUSOISQZHZNX-QMMMGPOBSA-N -1 3 234.259 0.634 20 0 BCADHM CC(C)N1CCC[C@@H](N(C)CCC(=O)[O-])C1=O ZINC000817909769 586837107 /nfs/dbraw/zinc/83/71/07/586837107.db2.gz MOXYDDJCQQMPMH-SNVBAGLBSA-N -1 3 242.319 0.792 20 0 BCADHM COCCO[N-]C(=O)Cc1ccc(C=O)cc1 ZINC000859887792 589068618 /nfs/dbraw/zinc/06/86/18/589068618.db2.gz KGINKVSPHJCHBZ-UHFFFAOYSA-N -1 3 237.255 0.736 20 0 BCADHM Nc1ccc(C(=O)NCC2(CO)CC2)c([O-])c1 ZINC000817937337 586844624 /nfs/dbraw/zinc/84/46/24/586844624.db2.gz WSAVVIWIKHXCSR-UHFFFAOYSA-N -1 3 236.271 0.477 20 0 BCADHM CC(=O)[N-]O[C@H]1CCN(C(C)(C)C)C1=O ZINC000818077580 586870421 /nfs/dbraw/zinc/87/04/21/586870421.db2.gz QIUUJNLDNCYQPV-QMMMGPOBSA-N -1 3 214.265 0.454 20 0 BCADHM CCn1nc(C)c(C[N-]C(=O)C(C)(F)F)n1 ZINC000818094231 586873575 /nfs/dbraw/zinc/87/35/75/586873575.db2.gz XHKGBNHBDTXNKU-UHFFFAOYSA-N -1 3 232.234 0.878 20 0 BCADHM CCN1C[C@H](NC(=O)NCCC(=O)[O-])[C@@H](C)C1 ZINC000818207538 586880178 /nfs/dbraw/zinc/88/01/78/586880178.db2.gz JMVOZHVZEPICOQ-IUCAKERBSA-N -1 3 243.307 0.101 20 0 BCADHM CCN1C[C@@H](C)[C@H](NC(=O)NCCC(=O)[O-])C1 ZINC000818207539 586880281 /nfs/dbraw/zinc/88/02/81/586880281.db2.gz JMVOZHVZEPICOQ-RKDXNWHRSA-N -1 3 243.307 0.101 20 0 BCADHM CN(C)C1(C(=O)N2CC[C@@H](C(=O)[O-])C2)CCC1 ZINC000818373797 586889512 /nfs/dbraw/zinc/88/95/12/586889512.db2.gz AWJLFWCXLZRIND-SECBINFHSA-N -1 3 240.303 0.404 20 0 BCADHM CN(C)C(=O)c1ccc(CNCCC(=O)[O-])[nH]1 ZINC000818374244 586889869 /nfs/dbraw/zinc/88/98/69/586889869.db2.gz HRMOQGFWFQFQQX-UHFFFAOYSA-N -1 3 239.275 0.281 20 0 BCADHM CN(C)C1(C(=O)N(C)CCC(=O)[O-])CCC1 ZINC000818413235 586890110 /nfs/dbraw/zinc/89/01/10/586890110.db2.gz CJYRDAJKWGPEEC-UHFFFAOYSA-N -1 3 228.292 0.404 20 0 BCADHM CN(C)c1ncc(CNCCC(=O)[O-])s1 ZINC000818390746 586890576 /nfs/dbraw/zinc/89/05/76/586890576.db2.gz JKUJHVUZWVXAKK-UHFFFAOYSA-N -1 3 229.305 0.773 20 0 BCADHM COC(=O)/C(C)=C\CN(C)CCC(=O)[O-] ZINC000818500435 586895250 /nfs/dbraw/zinc/89/52/50/586895250.db2.gz JQSBPISPWGRYAV-YWEYNIOJSA-N -1 3 215.249 0.512 20 0 BCADHM C[C@H](CC(=O)[N-]OC(C)(C)CO)n1cccn1 ZINC000819556632 586977506 /nfs/dbraw/zinc/97/75/06/586977506.db2.gz PBABSJJTEQZYIM-SECBINFHSA-N -1 3 241.291 0.653 20 0 BCADHM CCn1nc(C)c(C[N-]C(=O)C(F)F)n1 ZINC000819588546 586979530 /nfs/dbraw/zinc/97/95/30/586979530.db2.gz XWLDCHNYEGIZAE-UHFFFAOYSA-N -1 3 218.207 0.488 20 0 BCADHM CC(C)N(C)CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819767364 586991867 /nfs/dbraw/zinc/99/18/67/586991867.db2.gz SOTDMBBOTODGDC-MRVPVSSYSA-N -1 3 229.349 0.934 20 0 BCADHM CC(C)[C@H](O)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819777595 586993395 /nfs/dbraw/zinc/99/33/95/586993395.db2.gz KRYWXPFOPRHIMS-BQBZGAKWSA-N -1 3 216.306 0.611 20 0 BCADHM Cc1nccn1CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819780398 586994251 /nfs/dbraw/zinc/99/42/51/586994251.db2.gz GJBAKIJCDZSYFQ-SSDOTTSWSA-N -1 3 238.316 0.799 20 0 BCADHM Cc1ccn(CC(=O)[N-]C2=NC[C@H](C)S2)n1 ZINC000819782365 586994693 /nfs/dbraw/zinc/99/46/93/586994693.db2.gz TZOVXGNXSVSHCC-QMMMGPOBSA-N -1 3 238.316 0.799 20 0 BCADHM CC(C)(C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819922764 587001985 /nfs/dbraw/zinc/00/19/85/587001985.db2.gz OUDSWTOEFGHVOE-UHFFFAOYSA-N -1 3 234.263 0.723 20 0 BCADHM CC(C)(C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819922764 587001987 /nfs/dbraw/zinc/00/19/87/587001987.db2.gz OUDSWTOEFGHVOE-UHFFFAOYSA-N -1 3 234.263 0.723 20 0 BCADHM C[C@@H](CC(=O)[N-]OCC(C)(C)O)n1cccn1 ZINC000819945562 587004917 /nfs/dbraw/zinc/00/49/17/587004917.db2.gz GRZXADXJQVHVLB-VIFPVBQESA-N -1 3 241.291 0.653 20 0 BCADHM O=C(C=CC1CC1)[N-]c1nnc2[nH]cnn12 ZINC000819981924 587010513 /nfs/dbraw/zinc/01/05/13/587010513.db2.gz UBVYXHRUPDMMFH-ARJAWSKDSA-N -1 3 218.220 0.357 20 0 BCADHM O=C(C=Cc1ccco1)[N-]c1nnc2[nH]cnn12 ZINC000819981089 587010992 /nfs/dbraw/zinc/01/09/92/587010992.db2.gz LZSVQVJMKUQEJL-ARJAWSKDSA-N -1 3 244.214 0.697 20 0 BCADHM CC(C)N(CC(=O)NCC(=O)[O-])C1CCC1 ZINC000819996306 587011694 /nfs/dbraw/zinc/01/16/94/587011694.db2.gz FVSBBIKDYFBMAB-UHFFFAOYSA-N -1 3 228.292 0.450 20 0 BCADHM CC(C)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820015297 587013030 /nfs/dbraw/zinc/01/30/30/587013030.db2.gz CYXXQJTWQGBJHG-SSDOTTSWSA-N -1 3 248.290 0.969 20 0 BCADHM CC(C)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820015297 587013031 /nfs/dbraw/zinc/01/30/31/587013031.db2.gz CYXXQJTWQGBJHG-SSDOTTSWSA-N -1 3 248.290 0.969 20 0 BCADHM CC(C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820111657 587023019 /nfs/dbraw/zinc/02/30/19/587023019.db2.gz FOOJFFXZJUXNRW-UHFFFAOYSA-N -1 3 234.263 0.675 20 0 BCADHM CC(C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820111657 587023021 /nfs/dbraw/zinc/02/30/21/587023021.db2.gz FOOJFFXZJUXNRW-UHFFFAOYSA-N -1 3 234.263 0.675 20 0 BCADHM C[C@H](NCc1cccc(N(C)C)n1)C(=O)[O-] ZINC000820148617 587028399 /nfs/dbraw/zinc/02/83/99/587028399.db2.gz PUHOZYFOUPNFBA-QMMMGPOBSA-N -1 3 223.276 0.710 20 0 BCADHM C[C@H](CO)Sc1ncccc1-c1nnn[n-]1 ZINC000820288153 587041490 /nfs/dbraw/zinc/04/14/90/587041490.db2.gz SWLLWSWOUADLRB-ZCFIWIBFSA-N -1 3 237.288 0.735 20 0 BCADHM C[C@H](CO)Sc1ncccc1-c1nn[n-]n1 ZINC000820288153 587041492 /nfs/dbraw/zinc/04/14/92/587041492.db2.gz SWLLWSWOUADLRB-ZCFIWIBFSA-N -1 3 237.288 0.735 20 0 BCADHM CC[C@H](C)[C@H](NCC(=O)N1CCC1)C(=O)[O-] ZINC000820459625 587050140 /nfs/dbraw/zinc/05/01/40/587050140.db2.gz LCCFYXYKZWWICK-WPRPVWTQSA-N -1 3 228.292 0.308 20 0 BCADHM CC[C@H](C)[C@H](NCc1cnnn1C)C(=O)[O-] ZINC000820465485 587050450 /nfs/dbraw/zinc/05/04/50/587050450.db2.gz JJSVMTQAPNYZDD-CBAPKCEASA-N -1 3 226.280 0.404 20 0 BCADHM CC[C@H](C)[C@H](NCc1ncc[nH]1)C(=O)[O-] ZINC000820469009 587050594 /nfs/dbraw/zinc/05/05/94/587050594.db2.gz LIVREKPZXPKMES-CBAPKCEASA-N -1 3 211.265 0.999 20 0 BCADHM C[C@@H](O)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000820480733 587050976 /nfs/dbraw/zinc/05/09/76/587050976.db2.gz NNKVLXXVVBHVBL-ZCFIWIBFSA-N -1 3 237.238 0.799 20 0 BCADHM C[C@@H](O)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000820480733 587050977 /nfs/dbraw/zinc/05/09/77/587050977.db2.gz NNKVLXXVVBHVBL-ZCFIWIBFSA-N -1 3 237.238 0.799 20 0 BCADHM CCO[N-]C(=O)[C@@H]1C(C)[C@H]1C(=O)NOCC ZINC000820517330 587052278 /nfs/dbraw/zinc/05/22/78/587052278.db2.gz DSMYXOAIHJSKMI-HTQZYQBOSA-N -1 3 230.264 0.004 20 0 BCADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000820523139 587052553 /nfs/dbraw/zinc/05/25/53/587052553.db2.gz FQWCAQHBQBMRPT-HTQZYQBOSA-N -1 3 209.249 0.591 20 0 BCADHM CN(CC(=O)[O-])Cc1c[nH]nc1-c1cccnc1 ZINC000820568880 587055191 /nfs/dbraw/zinc/05/51/91/587055191.db2.gz FCVMCTOKTNDOJG-UHFFFAOYSA-N -1 3 246.270 0.988 20 0 BCADHM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)[O-])[C@H]2C1 ZINC000820703208 587067586 /nfs/dbraw/zinc/06/75/86/587067586.db2.gz RQRVWWCXYOEYRE-UTLUCORTSA-N -1 3 229.276 0.339 20 0 BCADHM CC1(C)C[C@](C)([N-]S(C)(=O)=O)C(=O)O1 ZINC000820735007 587068217 /nfs/dbraw/zinc/06/82/17/587068217.db2.gz NPXIVWGKDDGGEZ-QMMMGPOBSA-N -1 3 221.278 0.020 20 0 BCADHM COc1cc(CN2CC[C@@H](C(=O)[O-])C2)ccn1 ZINC000820763788 587071134 /nfs/dbraw/zinc/07/11/34/587071134.db2.gz AYGUOMVPECSOOF-SNVBAGLBSA-N -1 3 236.271 0.997 20 0 BCADHM CO[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000820845343 587076835 /nfs/dbraw/zinc/07/68/35/587076835.db2.gz WIXRHPOADBKYGY-DJLDLDEBSA-N -1 3 226.276 0.359 20 0 BCADHM CO[N-]C(=O)CC1CCN(OC)CC1 ZINC000820845506 587076989 /nfs/dbraw/zinc/07/69/89/587076989.db2.gz YLSWSSHGQRTYRF-UHFFFAOYSA-N -1 3 202.254 0.328 20 0 BCADHM CN(C)CCONC(=O)c1cccc(F)c1[O-] ZINC000820990552 587086538 /nfs/dbraw/zinc/08/65/38/587086538.db2.gz TYHKOJMEEJVREP-UHFFFAOYSA-N -1 3 242.250 0.754 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@@H]1CCc2cccnc21 ZINC000821006648 587087728 /nfs/dbraw/zinc/08/77/28/587087728.db2.gz UMMYTVHQBOGCFQ-LLVKDONJSA-N -1 3 249.314 0.721 20 0 BCADHM CCC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000821028074 587089596 /nfs/dbraw/zinc/08/95/96/587089596.db2.gz SSVCIKAWZVTCOS-VIFPVBQESA-N -1 3 248.290 0.835 20 0 BCADHM CCC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000821028074 587089598 /nfs/dbraw/zinc/08/95/98/587089598.db2.gz SSVCIKAWZVTCOS-VIFPVBQESA-N -1 3 248.290 0.835 20 0 BCADHM CC(C)O[N-]C(=O)/C=C\c1cn(C)cn1 ZINC000821213297 587101936 /nfs/dbraw/zinc/10/19/36/587101936.db2.gz KXLSIKMGLRTPCA-PLNGDYQASA-N -1 3 209.249 0.890 20 0 BCADHM O=C([O-])[C@H]1CCN(Cc2ccc(CO)o2)C1 ZINC000821511729 587124393 /nfs/dbraw/zinc/12/43/93/587124393.db2.gz PSQYYMACYQSTCC-QMMMGPOBSA-N -1 3 225.244 0.678 20 0 BCADHM CCc1noc(-c2cc(-c3nnn[n-]3)cn2C)n1 ZINC000821554599 587127992 /nfs/dbraw/zinc/12/79/92/587127992.db2.gz OYSNMBQYPHFTEG-UHFFFAOYSA-N -1 3 245.246 0.818 20 0 BCADHM CCc1noc(-c2cc(-c3nn[n-]n3)cn2C)n1 ZINC000821554599 587127993 /nfs/dbraw/zinc/12/79/93/587127993.db2.gz OYSNMBQYPHFTEG-UHFFFAOYSA-N -1 3 245.246 0.818 20 0 BCADHM CS[C@H](C)C(=O)[N-]c1nnnn1C1CC1 ZINC000821667495 587134052 /nfs/dbraw/zinc/13/40/52/587134052.db2.gz NDYCSLHEQXPEJF-RXMQYKEDSA-N -1 3 227.293 0.698 20 0 BCADHM O=C([N-]c1nnnn1C1CC1)C1CC=CC1 ZINC000821667471 587134279 /nfs/dbraw/zinc/13/42/79/587134279.db2.gz MAGZCKJPYHFVJR-UHFFFAOYSA-N -1 3 219.248 0.913 20 0 BCADHM COCC1(NCc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000821684195 587134530 /nfs/dbraw/zinc/13/45/30/587134530.db2.gz UXUHHUZYPCBTNY-UHFFFAOYSA-N -1 3 249.274 0.728 20 0 BCADHM COCC1(NCc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000821684195 587134532 /nfs/dbraw/zinc/13/45/32/587134532.db2.gz UXUHHUZYPCBTNY-UHFFFAOYSA-N -1 3 249.274 0.728 20 0 BCADHM COCCNCc1ccc(-c2nnn[n-]2)o1 ZINC000821691162 587134561 /nfs/dbraw/zinc/13/45/61/587134561.db2.gz LLBJJSXOCWYKQB-UHFFFAOYSA-N -1 3 223.236 0.196 20 0 BCADHM COCCNCc1ccc(-c2nn[n-]n2)o1 ZINC000821691162 587134562 /nfs/dbraw/zinc/13/45/62/587134562.db2.gz LLBJJSXOCWYKQB-UHFFFAOYSA-N -1 3 223.236 0.196 20 0 BCADHM CN1CCCC[C@H]1C(=O)[N-]OCC(C)(C)O ZINC000822493893 587171836 /nfs/dbraw/zinc/17/18/36/587171836.db2.gz CXBGFIVNFPUKNP-VIFPVBQESA-N -1 3 230.308 0.289 20 0 BCADHM Cc1nnnn1Cc1cccc(-c2nnn[n-]2)c1 ZINC000822520293 587172674 /nfs/dbraw/zinc/17/26/74/587172674.db2.gz XCLGQVUDVHPLRC-UHFFFAOYSA-N -1 3 242.246 0.210 20 0 BCADHM Cc1nnnn1Cc1cccc(-c2nn[n-]n2)c1 ZINC000822520293 587172676 /nfs/dbraw/zinc/17/26/76/587172676.db2.gz XCLGQVUDVHPLRC-UHFFFAOYSA-N -1 3 242.246 0.210 20 0 BCADHM O=C(OCCF)c1cccc(-c2nnn[n-]2)c1 ZINC000738220439 598824049 /nfs/dbraw/zinc/82/40/49/598824049.db2.gz INDCYAPGSXUZGP-UHFFFAOYSA-N -1 3 236.206 0.993 20 0 BCADHM O=C(OCCF)c1cccc(-c2nn[n-]n2)c1 ZINC000738220439 598824050 /nfs/dbraw/zinc/82/40/50/598824050.db2.gz INDCYAPGSXUZGP-UHFFFAOYSA-N -1 3 236.206 0.993 20 0 BCADHM CC[C@@H](C)N(OC)C(=O)c1cc(=O)[n-]cn1 ZINC000860210870 589089621 /nfs/dbraw/zinc/08/96/21/589089621.db2.gz CCUWXFSQPPBHGJ-SSDOTTSWSA-N -1 3 225.248 0.984 20 0 BCADHM Cn1nncc1NC([O-])=NOCC1CCC1 ZINC000823219672 587209059 /nfs/dbraw/zinc/20/90/59/587209059.db2.gz NGBRJEGALSUJSQ-UHFFFAOYSA-N -1 3 225.252 0.668 20 0 BCADHM Cn1nncc1NC(=O)[N-]OCC1CCC1 ZINC000823219672 587209060 /nfs/dbraw/zinc/20/90/60/587209060.db2.gz NGBRJEGALSUJSQ-UHFFFAOYSA-N -1 3 225.252 0.668 20 0 BCADHM O=C(Nc1cn[nH]c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823375919 587218351 /nfs/dbraw/zinc/21/83/51/587218351.db2.gz PLSKRKBKBUHHOF-UHFFFAOYSA-N -1 3 244.218 0.170 20 0 BCADHM O=C(Nc1cn[nH]c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823375919 587218352 /nfs/dbraw/zinc/21/83/52/587218352.db2.gz PLSKRKBKBUHHOF-UHFFFAOYSA-N -1 3 244.218 0.170 20 0 BCADHM O=C(OCC(F)F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823396427 587219775 /nfs/dbraw/zinc/21/97/75/587219775.db2.gz JMRSKHNPUZMHNH-UHFFFAOYSA-N -1 3 243.173 0.617 20 0 BCADHM O=C(OCC(F)F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823396427 587219776 /nfs/dbraw/zinc/21/97/76/587219776.db2.gz JMRSKHNPUZMHNH-UHFFFAOYSA-N -1 3 243.173 0.617 20 0 BCADHM CC(=O)CCN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823533997 587230185 /nfs/dbraw/zinc/23/01/85/587230185.db2.gz VWPWAWGQPQAJHY-SECBINFHSA-N -1 3 214.265 0.650 20 0 BCADHM O=C1NCC[C@H]1Nc1cccc(-c2nnn[n-]2)c1 ZINC000823548130 587230613 /nfs/dbraw/zinc/23/06/13/587230613.db2.gz UMRORYZSHKOGES-SECBINFHSA-N -1 3 244.258 0.167 20 0 BCADHM O=C1NCC[C@H]1Nc1cccc(-c2nn[n-]n2)c1 ZINC000823548130 587230615 /nfs/dbraw/zinc/23/06/15/587230615.db2.gz UMRORYZSHKOGES-SECBINFHSA-N -1 3 244.258 0.167 20 0 BCADHM O=C1NCC[C@H]1Oc1ccc(-c2nnn[n-]2)cc1 ZINC000823546746 587230853 /nfs/dbraw/zinc/23/08/53/587230853.db2.gz FLFDEDSHVNXVDD-SECBINFHSA-N -1 3 245.242 0.134 20 0 BCADHM O=C1NCC[C@H]1Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823546746 587230854 /nfs/dbraw/zinc/23/08/54/587230854.db2.gz FLFDEDSHVNXVDD-SECBINFHSA-N -1 3 245.242 0.134 20 0 BCADHM CC(=O)NCCCN1CCC[C@@H]1CNC(=O)[O-] ZINC000823580284 587232134 /nfs/dbraw/zinc/23/21/34/587232134.db2.gz QRZPWTPDBZIQOJ-SNVBAGLBSA-N -1 3 243.307 0.245 20 0 BCADHM c1cc(CNc2ccc(-c3nnn[n-]3)cn2)no1 ZINC000823751905 587239327 /nfs/dbraw/zinc/23/93/27/587239327.db2.gz RLOUWCDMKXQGMQ-UHFFFAOYSA-N -1 3 243.230 0.862 20 0 BCADHM c1cc(CNc2ccc(-c3nn[n-]n3)cn2)no1 ZINC000823751905 587239329 /nfs/dbraw/zinc/23/93/29/587239329.db2.gz RLOUWCDMKXQGMQ-UHFFFAOYSA-N -1 3 243.230 0.862 20 0 BCADHM c1cc(CNc2ncccc2-c2nnn[n-]2)no1 ZINC000823809936 587241033 /nfs/dbraw/zinc/24/10/33/587241033.db2.gz RYFIZWOWPBFMLX-UHFFFAOYSA-N -1 3 243.230 0.862 20 0 BCADHM c1cc(CNc2ncccc2-c2nn[n-]n2)no1 ZINC000823809936 587241035 /nfs/dbraw/zinc/24/10/35/587241035.db2.gz RYFIZWOWPBFMLX-UHFFFAOYSA-N -1 3 243.230 0.862 20 0 BCADHM CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000823987798 587247581 /nfs/dbraw/zinc/24/75/81/587247581.db2.gz BRUYJJFPQQMBSY-UHFFFAOYSA-N -1 3 229.243 0.776 20 0 BCADHM CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000823987798 587247582 /nfs/dbraw/zinc/24/75/82/587247582.db2.gz BRUYJJFPQQMBSY-UHFFFAOYSA-N -1 3 229.243 0.776 20 0 BCADHM CC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824094565 587254804 /nfs/dbraw/zinc/25/48/04/587254804.db2.gz YPOOUHABHKGSAU-UHFFFAOYSA-N -1 3 234.263 0.723 20 0 BCADHM CC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824094565 587254805 /nfs/dbraw/zinc/25/48/05/587254805.db2.gz YPOOUHABHKGSAU-UHFFFAOYSA-N -1 3 234.263 0.723 20 0 BCADHM CC(C)[C@H](CNCc1ccnn1C)NC(=O)[O-] ZINC000824122252 587256913 /nfs/dbraw/zinc/25/69/13/587256913.db2.gz FITPQBMDYRICDD-JTQLQIEISA-N -1 3 240.307 0.802 20 0 BCADHM CC(C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824255152 587263383 /nfs/dbraw/zinc/26/33/83/587263383.db2.gz AJZNJPSYNNDXOT-UHFFFAOYSA-N -1 3 248.290 0.923 20 0 BCADHM CC(C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824255152 587263385 /nfs/dbraw/zinc/26/33/85/587263385.db2.gz AJZNJPSYNNDXOT-UHFFFAOYSA-N -1 3 248.290 0.923 20 0 BCADHM CC(C)OC(=O)CCN(C)[C@@H](C)CNC(=O)[O-] ZINC000824387614 587268481 /nfs/dbraw/zinc/26/84/81/587268481.db2.gz GCTJQZPEVNRPGM-VIFPVBQESA-N -1 3 246.307 0.916 20 0 BCADHM C[C@@H](CO)[C@H](C)Nc1cnccc1-c1nnn[n-]1 ZINC000824434485 587270510 /nfs/dbraw/zinc/27/05/10/587270510.db2.gz KQMLRLLWDZZNGC-YUMQZZPRSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](CO)[C@H](C)Nc1cnccc1-c1nn[n-]n1 ZINC000824434485 587270511 /nfs/dbraw/zinc/27/05/11/587270511.db2.gz KQMLRLLWDZZNGC-YUMQZZPRSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@H](CC(=O)N[C@H]1CCCN(C)C1)NC(=O)[O-] ZINC000824622617 587279717 /nfs/dbraw/zinc/27/97/17/587279717.db2.gz OJQRNGXXAQZMMU-BDAKNGLRSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@@H](O)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000824700464 587283459 /nfs/dbraw/zinc/28/34/59/587283459.db2.gz YVHMDTIMFBWLNL-HTQZYQBOSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000824700464 587283461 /nfs/dbraw/zinc/28/34/61/587283461.db2.gz YVHMDTIMFBWLNL-HTQZYQBOSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)CNc1cnccc1-c1nnn[n-]1 ZINC000824706933 587284029 /nfs/dbraw/zinc/28/40/29/587284029.db2.gz MDPHJASMZKXTQC-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM C[C@@H](O)CNc1cnccc1-c1nn[n-]n1 ZINC000824706933 587284030 /nfs/dbraw/zinc/28/40/30/587284030.db2.gz MDPHJASMZKXTQC-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM C[C@@]1(O)CCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000824843885 587289851 /nfs/dbraw/zinc/28/98/51/587289851.db2.gz LRWGDIFRCCSQGM-LLVKDONJSA-N -1 3 246.274 0.223 20 0 BCADHM C[C@@]1(O)CCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000824843885 587289852 /nfs/dbraw/zinc/28/98/52/587289852.db2.gz LRWGDIFRCCSQGM-LLVKDONJSA-N -1 3 246.274 0.223 20 0 BCADHM C[C@@]1(O)CCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000824844133 587289953 /nfs/dbraw/zinc/28/99/53/587289953.db2.gz QJHXGVHTXFVUMA-LLVKDONJSA-N -1 3 249.274 0.416 20 0 BCADHM C[C@H]1C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824900002 587292363 /nfs/dbraw/zinc/29/23/63/587292363.db2.gz RHNYFQSARSQFKC-CAHLUQPWSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@H]1C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824900002 587292364 /nfs/dbraw/zinc/29/23/64/587292364.db2.gz RHNYFQSARSQFKC-CAHLUQPWSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@@H]1C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824900829 587292514 /nfs/dbraw/zinc/29/25/14/587292514.db2.gz WLAMJZDITMDRHH-RQJHMYQMSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@@H]1C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824900829 587292515 /nfs/dbraw/zinc/29/25/15/587292515.db2.gz WLAMJZDITMDRHH-RQJHMYQMSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@@H]1C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824897838 587292663 /nfs/dbraw/zinc/29/26/63/587292663.db2.gz BPFTVOYEMSHKGA-RNFRBKRXSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@@H]1C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824897838 587292665 /nfs/dbraw/zinc/29/26/65/587292665.db2.gz BPFTVOYEMSHKGA-RNFRBKRXSA-N -1 3 246.274 0.581 20 0 BCADHM CCn1ccc(NC([O-])=NOCC(C)(C)O)n1 ZINC000824948080 587294357 /nfs/dbraw/zinc/29/43/57/587294357.db2.gz BABJYGQTQUCBED-UHFFFAOYSA-N -1 3 242.279 0.727 20 0 BCADHM CCn1ccc(NC(=O)[N-]OCC(C)(C)O)n1 ZINC000824948080 587294359 /nfs/dbraw/zinc/29/43/59/587294359.db2.gz BABJYGQTQUCBED-UHFFFAOYSA-N -1 3 242.279 0.727 20 0 BCADHM CCON=C([O-])Nc1ccc2c(n1)OCCO2 ZINC000825019921 587298924 /nfs/dbraw/zinc/29/89/24/587298924.db2.gz PRWAGLXHQQNTCX-UHFFFAOYSA-N -1 3 239.231 0.926 20 0 BCADHM CCO[N-]C(=O)Nc1ccc2c(n1)OCCO2 ZINC000825019921 587298926 /nfs/dbraw/zinc/29/89/26/587298926.db2.gz PRWAGLXHQQNTCX-UHFFFAOYSA-N -1 3 239.231 0.926 20 0 BCADHM CC[C@H](CCO)Nc1cnccc1-c1nnn[n-]1 ZINC000825115248 587305501 /nfs/dbraw/zinc/30/55/01/587305501.db2.gz VUDTUGJEQJIVRW-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@H](CCO)Nc1cnccc1-c1nn[n-]n1 ZINC000825115248 587305503 /nfs/dbraw/zinc/30/55/03/587305503.db2.gz VUDTUGJEQJIVRW-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@]1(C(=O)NCCCc2c[n-][nH]c2=O)C=CCC1 ZINC000825278126 587313018 /nfs/dbraw/zinc/31/30/18/587313018.db2.gz YIRXZCDHJTUHJP-MFKMUULPSA-N -1 3 249.314 0.971 20 0 BCADHM CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825301273 587313682 /nfs/dbraw/zinc/31/36/82/587313682.db2.gz KXSPJDZTBXLIIU-UHFFFAOYSA-N -1 3 234.263 0.677 20 0 BCADHM CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825301273 587313684 /nfs/dbraw/zinc/31/36/84/587313684.db2.gz KXSPJDZTBXLIIU-UHFFFAOYSA-N -1 3 234.263 0.677 20 0 BCADHM C/C(=C/CN(C)CCN1CCCC1=O)C(=O)[O-] ZINC000825729235 587334173 /nfs/dbraw/zinc/33/41/73/587334173.db2.gz CCEJTJHZWIPFNJ-YHYXMXQVSA-N -1 3 240.303 0.572 20 0 BCADHM CC1(C)CN(CCNC(=O)[O-])CCCO1 ZINC000825734441 587335170 /nfs/dbraw/zinc/33/51/70/587335170.db2.gz MWLBIWFPIXPYRF-UHFFFAOYSA-N -1 3 216.281 0.755 20 0 BCADHM C/C(=C/CN1C[C@@H]2OCCN(C)[C@H]2C1)C(=O)[O-] ZINC000825736433 587335834 /nfs/dbraw/zinc/33/58/34/587335834.db2.gz ZAEJHPUTWZKFGJ-WBJUDYSNSA-N -1 3 240.303 0.032 20 0 BCADHM CC1(CN2CC[C@H](NC(=O)[O-])C2)COC1 ZINC000825744142 587336185 /nfs/dbraw/zinc/33/61/85/587336185.db2.gz LGVJVAZCXIWGFX-QMMMGPOBSA-N -1 3 214.265 0.365 20 0 BCADHM C/C(=C/CN1CCO[C@@H](CN(C)C)C1)C(=O)[O-] ZINC000825747787 587336191 /nfs/dbraw/zinc/33/61/91/587336191.db2.gz YTWZLXQGIGMWLR-FGUAACIASA-N -1 3 242.319 0.280 20 0 BCADHM C/C(=C/CN[C@H](C(N)=O)C(C)(C)C)C(=O)[O-] ZINC000825745666 587336573 /nfs/dbraw/zinc/33/65/73/587336573.db2.gz CBCADBBNHGVMRM-GRKOMRHMSA-N -1 3 228.292 0.507 20 0 BCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000825825981 587340901 /nfs/dbraw/zinc/34/09/01/587340901.db2.gz QTVUYZROLOQUJZ-UHFFFAOYSA-N -1 3 232.247 0.429 20 0 BCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000825825981 587340903 /nfs/dbraw/zinc/34/09/03/587340903.db2.gz QTVUYZROLOQUJZ-UHFFFAOYSA-N -1 3 232.247 0.429 20 0 BCADHM CCO[N-]C(=O)Nc1ccnc(OCCO)c1 ZINC000825864459 587342500 /nfs/dbraw/zinc/34/25/00/587342500.db2.gz SXFUBMXYLPFKFC-UHFFFAOYSA-N -1 3 241.247 0.526 20 0 BCADHM CC(=O)N[C@@H]1CCCN(C/C=C(\C)C(=O)[O-])C1 ZINC000825871655 587342840 /nfs/dbraw/zinc/34/28/40/587342840.db2.gz USMAYEXOJMZRLX-FZPLPXEFSA-N -1 3 240.303 0.618 20 0 BCADHM C[C@H](NC(=O)[O-])C(=O)NCCN1CC[C@@H](C)C1 ZINC000825951204 587346790 /nfs/dbraw/zinc/34/67/90/587346790.db2.gz TYIUBSYNWSWMNO-BDAKNGLRSA-N -1 3 243.307 0.101 20 0 BCADHM CN1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826045061 587349416 /nfs/dbraw/zinc/34/94/16/587349416.db2.gz OETLXSFJLCARJR-UHFFFAOYSA-N -1 3 245.290 0.014 20 0 BCADHM CN1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826045061 587349417 /nfs/dbraw/zinc/34/94/17/587349417.db2.gz OETLXSFJLCARJR-UHFFFAOYSA-N -1 3 245.290 0.014 20 0 BCADHM COC[C@H](C)CNc1cnccc1-c1nnn[n-]1 ZINC000826148826 587351397 /nfs/dbraw/zinc/35/13/97/587351397.db2.gz RMVUNRDGIXCPPB-MRVPVSSYSA-N -1 3 248.290 0.956 20 0 BCADHM COC[C@H](C)CNc1cnccc1-c1nn[n-]n1 ZINC000826148826 587351398 /nfs/dbraw/zinc/35/13/98/587351398.db2.gz RMVUNRDGIXCPPB-MRVPVSSYSA-N -1 3 248.290 0.956 20 0 BCADHM COCCN(C)c1cnccc1-c1nnn[n-]1 ZINC000826157622 587351489 /nfs/dbraw/zinc/35/14/89/587351489.db2.gz DOGSRDDUWHYRRY-UHFFFAOYSA-N -1 3 234.263 0.344 20 0 BCADHM COCCN(C)c1cnccc1-c1nn[n-]n1 ZINC000826157622 587351490 /nfs/dbraw/zinc/35/14/90/587351490.db2.gz DOGSRDDUWHYRRY-UHFFFAOYSA-N -1 3 234.263 0.344 20 0 BCADHM COc1cc(-c2nnn[n-]2)ccc1CN(C)OC ZINC000826167614 587351537 /nfs/dbraw/zinc/35/15/37/587351537.db2.gz LBYRGZYWNOTABI-UHFFFAOYSA-N -1 3 249.274 0.869 20 0 BCADHM COc1cc(-c2nn[n-]n2)ccc1CN(C)OC ZINC000826167614 587351538 /nfs/dbraw/zinc/35/15/38/587351538.db2.gz LBYRGZYWNOTABI-UHFFFAOYSA-N -1 3 249.274 0.869 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)CCO)n1 ZINC000826275261 587351589 /nfs/dbraw/zinc/35/15/89/587351589.db2.gz UUDVCYTYKHTKTL-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)CCO)n1 ZINC000826275261 587351590 /nfs/dbraw/zinc/35/15/90/587351590.db2.gz UUDVCYTYKHTKTL-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1cc(-c2nnn[n-]2)cc(C)c1OCCO ZINC000826243109 587351691 /nfs/dbraw/zinc/35/16/91/587351691.db2.gz UTDOSHGUDYVPOH-UHFFFAOYSA-N -1 3 234.259 0.855 20 0 BCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCCO ZINC000826243109 587351692 /nfs/dbraw/zinc/35/16/92/587351692.db2.gz UTDOSHGUDYVPOH-UHFFFAOYSA-N -1 3 234.259 0.855 20 0 BCADHM CON(C)c1nccc(C)c1-c1nnn[n-]1 ZINC000826166429 587351863 /nfs/dbraw/zinc/35/18/63/587351863.db2.gz JYZFRZNGODKQBA-UHFFFAOYSA-N -1 3 220.236 0.568 20 0 BCADHM CON(C)c1nccc(C)c1-c1nn[n-]n1 ZINC000826166429 587351864 /nfs/dbraw/zinc/35/18/64/587351864.db2.gz JYZFRZNGODKQBA-UHFFFAOYSA-N -1 3 220.236 0.568 20 0 BCADHM Cc1ccnc(N(C)[C@@H](C)CO)c1-c1nnn[n-]1 ZINC000826309580 587352403 /nfs/dbraw/zinc/35/24/03/587352403.db2.gz UWTFHWLGKUGMMM-QMMMGPOBSA-N -1 3 248.290 0.387 20 0 BCADHM Cc1ccnc(N(C)[C@@H](C)CO)c1-c1nn[n-]n1 ZINC000826309580 587352404 /nfs/dbraw/zinc/35/24/04/587352404.db2.gz UWTFHWLGKUGMMM-QMMMGPOBSA-N -1 3 248.290 0.387 20 0 BCADHM Cc1nnc(Cn2ccc(-c3nnn[n-]3)c2)s1 ZINC000826336046 587352520 /nfs/dbraw/zinc/35/25/20/587352520.db2.gz LHJRFIWSHKPXOO-UHFFFAOYSA-N -1 3 247.287 0.876 20 0 BCADHM Cc1nnc(Cn2ccc(-c3nn[n-]n3)c2)s1 ZINC000826336046 587352521 /nfs/dbraw/zinc/35/25/21/587352521.db2.gz LHJRFIWSHKPXOO-UHFFFAOYSA-N -1 3 247.287 0.876 20 0 BCADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C1=CCC1 ZINC000826453095 587352900 /nfs/dbraw/zinc/35/29/00/587352900.db2.gz VQIHBHXSHOBKIJ-UHFFFAOYSA-N -1 3 242.242 0.920 20 0 BCADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C1=CCC1 ZINC000826453095 587352901 /nfs/dbraw/zinc/35/29/01/587352901.db2.gz VQIHBHXSHOBKIJ-UHFFFAOYSA-N -1 3 242.242 0.920 20 0 BCADHM OCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC000826508675 587353076 /nfs/dbraw/zinc/35/30/76/587353076.db2.gz YHPRRENBJODZSG-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM OCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC000826508675 587353077 /nfs/dbraw/zinc/35/30/77/587353077.db2.gz YHPRRENBJODZSG-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM O=C(OCCF)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826463572 587353189 /nfs/dbraw/zinc/35/31/89/587353189.db2.gz KXLTYWBQXJMGOZ-UHFFFAOYSA-N -1 3 225.183 0.321 20 0 BCADHM O=C(OCCF)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826463572 587353190 /nfs/dbraw/zinc/35/31/90/587353190.db2.gz KXLTYWBQXJMGOZ-UHFFFAOYSA-N -1 3 225.183 0.321 20 0 BCADHM c1cc(Cn2ccc(-c3nnn[n-]3)c2)no1 ZINC000826516469 587353443 /nfs/dbraw/zinc/35/34/43/587353443.db2.gz LZQYCOFJRYIMEE-UHFFFAOYSA-N -1 3 216.204 0.705 20 0 BCADHM c1cc(Cn2ccc(-c3nn[n-]n3)c2)no1 ZINC000826516469 587353444 /nfs/dbraw/zinc/35/34/44/587353444.db2.gz LZQYCOFJRYIMEE-UHFFFAOYSA-N -1 3 216.204 0.705 20 0 BCADHM c1cc(-c2nnn[n-]2)oc1CN[C@@H]1CCOC1 ZINC000826515401 587353630 /nfs/dbraw/zinc/35/36/30/587353630.db2.gz XTPQUDDAWSENMH-SSDOTTSWSA-N -1 3 235.247 0.338 20 0 BCADHM c1cc(-c2nn[n-]n2)oc1CN[C@@H]1CCOC1 ZINC000826515401 587353631 /nfs/dbraw/zinc/35/36/31/587353631.db2.gz XTPQUDDAWSENMH-SSDOTTSWSA-N -1 3 235.247 0.338 20 0 BCADHM c1cc(-c2nnn[n-]2)c(N[C@@H]2CCOC2)cn1 ZINC000826512665 587353773 /nfs/dbraw/zinc/35/37/73/587353773.db2.gz JJVUFGZDLCIYFN-SSDOTTSWSA-N -1 3 232.247 0.463 20 0 BCADHM c1cc(-c2nn[n-]n2)c(N[C@@H]2CCOC2)cn1 ZINC000826512665 587353774 /nfs/dbraw/zinc/35/37/74/587353774.db2.gz JJVUFGZDLCIYFN-SSDOTTSWSA-N -1 3 232.247 0.463 20 0 BCADHM OC[C@H]1CCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000826509398 587353968 /nfs/dbraw/zinc/35/39/68/587353968.db2.gz UQDRXTUMMPHRNC-QMMMGPOBSA-N -1 3 246.274 0.080 20 0 BCADHM OC[C@H]1CCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000826509398 587353969 /nfs/dbraw/zinc/35/39/69/587353969.db2.gz UQDRXTUMMPHRNC-QMMMGPOBSA-N -1 3 246.274 0.080 20 0 BCADHM CC[C@@H](O)CN(C)[C@@H](C)CNC(=O)[O-] ZINC000826626245 587357090 /nfs/dbraw/zinc/35/70/90/587357090.db2.gz TUCITKADFUDSAQ-JGVFFNPUSA-N -1 3 204.270 0.345 20 0 BCADHM CCN(CC(=O)N1CCNC(C)(C)C1)C(=O)[O-] ZINC000826996993 587367627 /nfs/dbraw/zinc/36/76/27/587367627.db2.gz QTKJJJWYPGTNDX-UHFFFAOYSA-N -1 3 243.307 0.197 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N1CC[C@H](N(C)C)C1 ZINC000827256554 587374457 /nfs/dbraw/zinc/37/44/57/587374457.db2.gz JAGHDBKIQNTFBG-BDAKNGLRSA-N -1 3 228.292 0.260 20 0 BCADHM C[C@@H](CNC(=O)C1(N(C)C)CCC1)C(=O)[O-] ZINC000827465978 587382402 /nfs/dbraw/zinc/38/24/02/587382402.db2.gz DTKQTSVCJKNIOO-QMMMGPOBSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@@H](N(C)CC(=O)NCCC(=O)[O-])C1(C)CC1 ZINC000827603688 587392135 /nfs/dbraw/zinc/39/21/35/587392135.db2.gz ZKCCXJUBPWXMOL-SECBINFHSA-N -1 3 242.319 0.698 20 0 BCADHM C[C@H](NCCC(=O)[O-])c1nnc2ccccn21 ZINC000827734591 587400400 /nfs/dbraw/zinc/40/04/00/587400400.db2.gz JISUVEAPVGSSHU-QMMMGPOBSA-N -1 3 234.259 0.855 20 0 BCADHM CN(C(=O)[O-])[C@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000827882910 587407387 /nfs/dbraw/zinc/40/73/87/587407387.db2.gz UKULGPBFHFDMRS-UWVGGRQHSA-N -1 3 228.292 0.850 20 0 BCADHM CN(C(=O)[O-])[C@@H]1CCN(C[C@H]2CCCO2)C1 ZINC000827882909 587407411 /nfs/dbraw/zinc/40/74/11/587407411.db2.gz UKULGPBFHFDMRS-NXEZZACHSA-N -1 3 228.292 0.850 20 0 BCADHM CN(C(=O)[O-])[C@@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000827882912 587407845 /nfs/dbraw/zinc/40/78/45/587407845.db2.gz UKULGPBFHFDMRS-ZJUUUORDSA-N -1 3 228.292 0.850 20 0 BCADHM CN(C(=O)[O-])[C@H]1CCN(CCCO)C1 ZINC000827889955 587408268 /nfs/dbraw/zinc/40/82/68/587408268.db2.gz MQHXJXHUHZOUAI-QMMMGPOBSA-N -1 3 202.254 0.053 20 0 BCADHM CN(C)C(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000827960494 587413468 /nfs/dbraw/zinc/41/34/68/587413468.db2.gz JTYGGIZKAAZKRZ-UHFFFAOYSA-N -1 3 243.307 0.149 20 0 BCADHM C[C@@]1(C(=O)[O-])CCN(CN2CCOC2=S)C1 ZINC000828028922 587416941 /nfs/dbraw/zinc/41/69/41/587416941.db2.gz IGSHNLJWOVRLOK-SNVBAGLBSA-N -1 3 244.316 0.358 20 0 BCADHM N[C@H](CC(F)F)C(=O)[N-]O[C@H]1CCCCO1 ZINC000828062731 587418265 /nfs/dbraw/zinc/41/82/65/587418265.db2.gz QJWXFXADKNSILH-SVRRBLITSA-N -1 3 238.234 0.543 20 0 BCADHM C[C@@H]1CCCN1CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000828272145 587429847 /nfs/dbraw/zinc/42/98/47/587429847.db2.gz WMUYSHQUUVHZKZ-KXUCPTDWSA-N -1 3 240.303 0.308 20 0 BCADHM CN(Cc1cn[nH]c1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000828411324 587440691 /nfs/dbraw/zinc/44/06/91/587440691.db2.gz QNKQJUHTNQNGPN-SECBINFHSA-N -1 3 238.291 0.841 20 0 BCADHM CC[C@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)N(C)C ZINC000828586364 587451841 /nfs/dbraw/zinc/45/18/41/587451841.db2.gz DUGYRLPRQQBMNV-SKDRFNHKSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)N(C)C ZINC000828586269 587451932 /nfs/dbraw/zinc/45/19/32/587451932.db2.gz CLICNPSRJSASHC-UWVGGRQHSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@H](C(=O)N1CC[C@](F)(C(=O)[O-])C1)N(C)C ZINC000828586407 587451938 /nfs/dbraw/zinc/45/19/38/587451938.db2.gz FKWWEVFOENDKKX-LDYMZIIASA-N -1 3 246.282 0.352 20 0 BCADHM CC[C@@H](C(=O)[O-])[NH+]1CCC(c2nnc[n-]2)CC1 ZINC000828594835 587452176 /nfs/dbraw/zinc/45/21/76/587452176.db2.gz LNIDRNSETQSIOS-VIFPVBQESA-N -1 3 238.291 0.847 20 0 BCADHM CC[C@@H](C(=O)OC)N1CC[C@](C)(C(=O)[O-])C1 ZINC000828603186 587452774 /nfs/dbraw/zinc/45/27/74/587452774.db2.gz FJMAHPCKHHNXJK-KWQFWETISA-N -1 3 229.276 0.735 20 0 BCADHM COC(=O)C[C@H]1CCCCN1CCNC(=O)[O-] ZINC000828655108 587455522 /nfs/dbraw/zinc/45/55/22/587455522.db2.gz BDLJPSUIHJSCME-SECBINFHSA-N -1 3 244.291 0.672 20 0 BCADHM COC(=O)CC1CCN(CCNC(=O)[O-])CC1 ZINC000828664045 587456065 /nfs/dbraw/zinc/45/60/65/587456065.db2.gz VBZKVOXFRRLDAN-UHFFFAOYSA-N -1 3 244.291 0.529 20 0 BCADHM CC[C@](C)(CC(=O)[O-])NCc1ncnn1C ZINC000828671173 587456661 /nfs/dbraw/zinc/45/66/61/587456661.db2.gz BBSIGRXEAKZKHU-SNVBAGLBSA-N -1 3 226.280 0.548 20 0 BCADHM COCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828993020 587478130 /nfs/dbraw/zinc/47/81/30/587478130.db2.gz UZGRDXCTPRGNFP-ZJUUUORDSA-N -1 3 228.292 0.850 20 0 BCADHM COCCOCCN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000829001749 587479012 /nfs/dbraw/zinc/47/90/12/587479012.db2.gz DUSXGCNNHDHCJI-JTQLQIEISA-N -1 3 246.307 0.334 20 0 BCADHM CC[C@@]1(C)CCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000829050204 587480747 /nfs/dbraw/zinc/48/07/47/587480747.db2.gz NKXLBAHDOLFXTI-SKDRFNHKSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@H]1C[C@@H](C)CN1CC(=O)NCCC(=O)[O-] ZINC000829076046 587481864 /nfs/dbraw/zinc/48/18/64/587481864.db2.gz ZQGZPRNRVBXKHM-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CCCN(CC(=O)NCCC(=O)[O-])CC1CC1 ZINC000829464559 587498647 /nfs/dbraw/zinc/49/86/47/587498647.db2.gz FKBPUCCNXKUPCG-UHFFFAOYSA-N -1 3 242.319 0.699 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000829683356 587509519 /nfs/dbraw/zinc/50/95/19/587509519.db2.gz YFVNEKKQRLUWSB-RKDXNWHRSA-N -1 3 239.275 0.218 20 0 BCADHM CCN1C[C@H](C)[C@H](NC(=O)[C@@H](C)CC(=O)[O-])C1 ZINC000829743782 587512976 /nfs/dbraw/zinc/51/29/76/587512976.db2.gz BPDAQTREHBPDKO-LPEHRKFASA-N -1 3 242.319 0.554 20 0 BCADHM C[C@H]1CCC[C@@]1(C)C(=O)[N-]OCCO ZINC000829763263 587513352 /nfs/dbraw/zinc/51/33/52/587513352.db2.gz HTSHRPPYCLGMSZ-WCBMZHEXSA-N -1 3 201.266 0.853 20 0 BCADHM CC[S@](C)(=O)=NC(=O)c1cc(=O)cc[n-]1 ZINC000829867254 587525948 /nfs/dbraw/zinc/52/59/48/587525948.db2.gz OIIIRNUHSGTMFT-HNNXBMFYSA-N -1 3 228.273 0.633 20 0 BCADHM O=S(=O)([N-]CC1CC1)c1c[nH]nc1Cl ZINC000829872265 587526677 /nfs/dbraw/zinc/52/66/77/587526677.db2.gz MUFGNRCSKCEDAA-UHFFFAOYSA-N -1 3 235.696 0.751 20 0 BCADHM CCOc1nc(NC(=O)CCCC(C)=O)n[n-]1 ZINC000830393597 587548802 /nfs/dbraw/zinc/54/88/02/587548802.db2.gz TTYAZTGLCSWROF-UHFFFAOYSA-N -1 3 240.263 0.901 20 0 BCADHM CCOc1nnc(NC(=O)CCCC(C)=O)[n-]1 ZINC000830393597 587548804 /nfs/dbraw/zinc/54/88/04/587548804.db2.gz TTYAZTGLCSWROF-UHFFFAOYSA-N -1 3 240.263 0.901 20 0 BCADHM CCOc1n[n-]c(NC(=O)CCCC(C)=O)n1 ZINC000830393597 587548806 /nfs/dbraw/zinc/54/88/06/587548806.db2.gz TTYAZTGLCSWROF-UHFFFAOYSA-N -1 3 240.263 0.901 20 0 BCADHM CCC(F)(F)C(=O)[N-]C1(C(N)=O)CCC1 ZINC000830863339 587574100 /nfs/dbraw/zinc/57/41/00/587574100.db2.gz ORZBVTKTXDCYRC-UHFFFAOYSA-N -1 3 220.219 0.556 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H](CO)c1cnn(C)c1 ZINC000831300493 587596961 /nfs/dbraw/zinc/59/69/61/587596961.db2.gz SUQJSIUCRMWQBA-MRVPVSSYSA-N -1 3 247.245 0.615 20 0 BCADHM O=C(NCC[C@@H](O)C1CCCC1)c1c[n-]nn1 ZINC000831364246 587601439 /nfs/dbraw/zinc/60/14/39/587601439.db2.gz RLULYMDMPZXJIG-SNVBAGLBSA-N -1 3 238.291 0.476 20 0 BCADHM O=C(NCC[C@@H](O)C1CCCC1)c1cnn[n-]1 ZINC000831364246 587601441 /nfs/dbraw/zinc/60/14/41/587601441.db2.gz RLULYMDMPZXJIG-SNVBAGLBSA-N -1 3 238.291 0.476 20 0 BCADHM O=C(NCC[C@@H](O)C1CCCC1)c1cn[n-]n1 ZINC000831364246 587601444 /nfs/dbraw/zinc/60/14/44/587601444.db2.gz RLULYMDMPZXJIG-SNVBAGLBSA-N -1 3 238.291 0.476 20 0 BCADHM COC[C@@H](C)N[C@H](C(=O)[O-])c1cccnc1 ZINC000831644111 587625702 /nfs/dbraw/zinc/62/57/02/587625702.db2.gz USCUZKIPEXYEJJ-SCZZXKLOSA-N -1 3 224.260 0.832 20 0 BCADHM O=C([O-])N1CC[C@@H](NC[C@@H](O)c2ccco2)C1 ZINC000831953388 587638609 /nfs/dbraw/zinc/63/86/09/587638609.db2.gz IUOHHHDBGXFLLD-RKDXNWHRSA-N -1 3 240.259 0.655 20 0 BCADHM O=C([O-])N1CC[C@H](NC[C@H](O)c2ccco2)C1 ZINC000831953387 587638647 /nfs/dbraw/zinc/63/86/47/587638647.db2.gz IUOHHHDBGXFLLD-IUCAKERBSA-N -1 3 240.259 0.655 20 0 BCADHM Nc1ccc(C(=O)N[C@@H]2CCOC2)c([O-])c1 ZINC000831960858 587639478 /nfs/dbraw/zinc/63/94/78/587639478.db2.gz OWVWZJKEUGZWFI-MRVPVSSYSA-N -1 3 222.244 0.493 20 0 BCADHM O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1CCO ZINC000831996601 587642107 /nfs/dbraw/zinc/64/21/07/587642107.db2.gz HSSYFHIMTDUNPN-QWRGUYRKSA-N -1 3 242.319 0.976 20 0 BCADHM O=C([O-])N1CCC[C@H]1CN[C@@H]1C=C[C@H](CO)C1 ZINC000832018335 587643212 /nfs/dbraw/zinc/64/32/12/587643212.db2.gz HRGZUEQAUPKAKA-AXFHLTTASA-N -1 3 240.303 0.655 20 0 BCADHM CCOCCO[N-]C(=O)CCc1ccon1 ZINC000832386487 587657423 /nfs/dbraw/zinc/65/74/23/587657423.db2.gz VTUJGKKKZYQVME-UHFFFAOYSA-N -1 3 228.248 0.692 20 0 BCADHM O=C([O-])NCCCOC1CCN(CCO)CC1 ZINC000832632091 587671099 /nfs/dbraw/zinc/67/10/99/587671099.db2.gz BMYYOTWAGUGPCC-UHFFFAOYSA-N -1 3 246.307 0.117 20 0 BCADHM O=C([O-])NCCN1CCS[C@@H]2COCC[C@H]21 ZINC000832641696 587672019 /nfs/dbraw/zinc/67/20/19/587672019.db2.gz FXKZVQUBHPWDAR-RKDXNWHRSA-N -1 3 246.332 0.460 20 0 BCADHM O=C([O-])NCCN1CCN(C2CCC2)CC1 ZINC000832641894 587672129 /nfs/dbraw/zinc/67/21/29/587672129.db2.gz NCZCDRLZECVLKS-UHFFFAOYSA-N -1 3 227.308 0.424 20 0 BCADHM O=C([O-])NCCN1CCCC[C@@H]1CCO ZINC000832641596 587672464 /nfs/dbraw/zinc/67/24/64/587672464.db2.gz BQGWCBHYKQORSQ-SECBINFHSA-N -1 3 216.281 0.491 20 0 BCADHM CC[C@@H](O)CC(=O)[N-]OC/C=C/Cl ZINC000832974864 587695874 /nfs/dbraw/zinc/69/58/74/587695874.db2.gz LUCWLLBLBONPLV-KGGZQZJCSA-N -1 3 207.657 0.948 20 0 BCADHM Cn1ncnc1CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000833062186 587698601 /nfs/dbraw/zinc/69/86/01/587698601.db2.gz MSVKDXZPLQDWTQ-SNVBAGLBSA-N -1 3 224.264 0.158 20 0 BCADHM O=C([O-])[C@@]1(F)CCN(C[C@@H]2CCCOC2)C1 ZINC000833174910 587700628 /nfs/dbraw/zinc/70/06/28/587700628.db2.gz KOYGDDUJIYBQQA-GXSJLCMTSA-N -1 3 231.267 0.912 20 0 BCADHM O=C([O-])c1cc(CNC[C@@H]2COCCO2)c[nH]1 ZINC000833296440 587705224 /nfs/dbraw/zinc/70/52/24/587705224.db2.gz CZOQIWMEHGDLDG-SECBINFHSA-N -1 3 240.259 0.218 20 0 BCADHM O=C([O-])c1cc(CN[C@H]2CCCNC2=O)c[nH]1 ZINC000833296774 587705479 /nfs/dbraw/zinc/70/54/79/587705479.db2.gz WFPMOAWDKUWKPS-QMMMGPOBSA-N -1 3 237.259 0.081 20 0 BCADHM C/C(=C/CN(C)CCNC(=O)C(C)C)C(=O)[O-] ZINC000833383466 587712745 /nfs/dbraw/zinc/71/27/45/587712745.db2.gz NVPMCVHQECKWQP-YHYXMXQVSA-N -1 3 242.319 0.721 20 0 BCADHM CC(C)[C@@H](C)N(C)CN1C[C@H](C(=O)[O-])CC1=O ZINC000833468172 587716375 /nfs/dbraw/zinc/71/63/75/587716375.db2.gz BWVXHRXFPPVNKV-NXEZZACHSA-N -1 3 242.319 0.853 20 0 BCADHM CC(C)N(CCN(C)C)C(=O)CN(C)C(=O)[O-] ZINC000833497605 587717891 /nfs/dbraw/zinc/71/78/91/587717891.db2.gz IIEPCCDTARZIEW-UHFFFAOYSA-N -1 3 245.323 0.395 20 0 BCADHM C[C@@]1(NCc2ccc(C(=O)[O-])[nH]2)CCOC1 ZINC000833567835 587720450 /nfs/dbraw/zinc/72/04/50/587720450.db2.gz CWGNMPSVNQQXBC-LLVKDONJSA-N -1 3 224.260 0.982 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN(C)[C@H]2CCOC2)O1 ZINC000833578748 587721220 /nfs/dbraw/zinc/72/12/20/587721220.db2.gz WMELUKOFUWKTPQ-UWVGGRQHSA-N -1 3 241.287 0.855 20 0 BCADHM C[C@@]1(NCc2c[nH]c(C(=O)[O-])c2)CCOC1 ZINC000833572409 587721301 /nfs/dbraw/zinc/72/13/01/587721301.db2.gz TTWQKPOPWTWSRO-LLVKDONJSA-N -1 3 224.260 0.982 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@@H](O)C2)O1 ZINC000833584161 587721774 /nfs/dbraw/zinc/72/17/74/587721774.db2.gz LZURWNJRXIICHU-ZJUUUORDSA-N -1 3 241.287 0.591 20 0 BCADHM C[C@H]1CN(CCC(=O)[O-])CCN1CCCCO ZINC000833628055 587724952 /nfs/dbraw/zinc/72/49/52/587724952.db2.gz AHZSYSCWNAPYEJ-NSHDSACASA-N -1 3 244.335 0.240 20 0 BCADHM COC[C@@](C)(CC(=O)[O-])NCc1ccnn1C ZINC000833722345 587729559 /nfs/dbraw/zinc/72/95/59/587729559.db2.gz RYEHRNAFVKDXPH-LLVKDONJSA-N -1 3 241.291 0.390 20 0 BCADHM O=C([O-])[C@H](O)C1CCN(C[C@H]2CCCO2)CC1 ZINC000833770444 587730637 /nfs/dbraw/zinc/73/06/37/587730637.db2.gz GMLOQNYJIYOKDB-GHMZBOCLSA-N -1 3 243.303 0.323 20 0 BCADHM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1CCCCO ZINC000833825888 587734473 /nfs/dbraw/zinc/73/44/73/587734473.db2.gz DKDPRAKPMVLWMY-ZJUUUORDSA-N -1 3 230.308 0.832 20 0 BCADHM CCCNC(=O)CN[C@H](C)C[C@H](C)NC(=O)[O-] ZINC000833855144 587736381 /nfs/dbraw/zinc/73/63/81/587736381.db2.gz BVJJQAFNRWPWTN-BDAKNGLRSA-N -1 3 245.323 0.537 20 0 BCADHM COC(=O)CCN1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000833878102 587737866 /nfs/dbraw/zinc/73/78/66/587737866.db2.gz DBXYGNQVZKXRAW-BDAKNGLRSA-N -1 3 244.291 0.670 20 0 BCADHM CNC(=O)CCN1CCN(C(=O)[O-])[C@H](C)[C@@H]1C ZINC000833875591 587737957 /nfs/dbraw/zinc/73/79/57/587737957.db2.gz WYOVPFBBHMZABG-DTWKUNHWSA-N -1 3 243.307 0.195 20 0 BCADHM COCCN(C)C[C@@H]1CCCN1C(=O)[O-] ZINC000833883685 587738436 /nfs/dbraw/zinc/73/84/36/587738436.db2.gz PLJBCRNFHISGKK-VIFPVBQESA-N -1 3 216.281 0.707 20 0 BCADHM Cn1cncc1CNC[C@H]1CCN(C(=O)[O-])C1 ZINC000833958478 587740041 /nfs/dbraw/zinc/74/00/41/587740041.db2.gz IADQBWJLKOCLTB-SECBINFHSA-N -1 3 238.291 0.510 20 0 BCADHM Cn1nncc1CN[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833961744 587740133 /nfs/dbraw/zinc/74/01/33/587740133.db2.gz WOPMXRQVKATZCO-MRVPVSSYSA-N -1 3 239.279 0.047 20 0 BCADHM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CCO ZINC000834096397 587745321 /nfs/dbraw/zinc/74/53/21/587745321.db2.gz WRQWMPMSYDGPIY-BDAKNGLRSA-N -1 3 214.265 0.195 20 0 BCADHM O=C([O-])N[C@@H](CNCc1cn[nH]c1)C1CC1 ZINC000834150538 587747374 /nfs/dbraw/zinc/74/73/74/587747374.db2.gz OSFLEGHBNXLBNE-VIFPVBQESA-N -1 3 224.264 0.546 20 0 BCADHM O=C([O-])NCCN1CCCSCC1 ZINC000834240241 587749870 /nfs/dbraw/zinc/74/98/70/587749870.db2.gz TVOLWKWSSOOHHP-UHFFFAOYSA-N -1 3 204.295 0.693 20 0 BCADHM O=C([O-])NCCN[C@H](CCO)c1ccccc1 ZINC000834243915 587750205 /nfs/dbraw/zinc/75/02/05/587750205.db2.gz RNHZLLYERLUNHJ-LLVKDONJSA-N -1 3 238.287 0.967 20 0 BCADHM CCn1cc(CC(=O)[N-]OCC(C)(C)O)cn1 ZINC000834622361 587761553 /nfs/dbraw/zinc/76/15/53/587761553.db2.gz VKEQKRKPHDYQBW-UHFFFAOYSA-N -1 3 241.291 0.264 20 0 BCADHM CC(C)(O)CO[N-]C(=O)/C=C\[C@H]1CCCO1 ZINC000834628601 587761749 /nfs/dbraw/zinc/76/17/49/587761749.db2.gz SCYHKCPXGXWJCM-SSJHQANKSA-N -1 3 229.276 0.540 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C1(C)CCOCC1 ZINC000834625286 587761908 /nfs/dbraw/zinc/76/19/08/587761908.db2.gz ZPFYABHJRQCEME-UHFFFAOYSA-N -1 3 231.292 0.622 20 0 BCADHM CSCCO[N-]C(=O)Cc1ccc(=O)[nH]c1 ZINC000834825888 587768007 /nfs/dbraw/zinc/76/80/07/587768007.db2.gz KVDQXNUAYVMMKZ-UHFFFAOYSA-N -1 3 242.300 0.741 20 0 BCADHM CC1(C)CC=C(C(=O)[N-]OCC(N)=O)CC1 ZINC000836781491 587836567 /nfs/dbraw/zinc/83/65/67/587836567.db2.gz PMBHEPBSFQEPAS-UHFFFAOYSA-N -1 3 226.276 0.656 20 0 BCADHM CSC[C@@H](C)C(=O)[N-]OC(C)(C)CO ZINC000836803056 587837600 /nfs/dbraw/zinc/83/76/00/587837600.db2.gz GTTVFRZDBVAKSG-SSDOTTSWSA-N -1 3 221.322 0.804 20 0 BCADHM CC[C@H](C(=O)[N-]OC(C)(C)CO)N(CC)CC ZINC000836803250 587837656 /nfs/dbraw/zinc/83/76/56/587837656.db2.gz ILANHNXZRQDYHT-SNVBAGLBSA-N -1 3 246.351 0.926 20 0 BCADHM C[C@@H]1CC[C@H](C)N1CC(=O)[N-]OC(C)(C)CO ZINC000836804370 587837806 /nfs/dbraw/zinc/83/78/06/587837806.db2.gz YHAVEFMCVOCXRA-AOOOYVTPSA-N -1 3 244.335 0.678 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C1(C)CC1 ZINC000836891339 587841517 /nfs/dbraw/zinc/84/15/17/587841517.db2.gz NCDCJHBASGTNFY-QMMMGPOBSA-N -1 3 201.266 0.851 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@H](C(C)C)N(C)C ZINC000836894047 587841980 /nfs/dbraw/zinc/84/19/80/587841980.db2.gz ZXVXHRIQWZPAAZ-MNOVXSKESA-N -1 3 246.351 0.637 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CCCN1C ZINC000836897382 587842025 /nfs/dbraw/zinc/84/20/25/587842025.db2.gz WUOKIZSEVAWYLN-UWVGGRQHSA-N -1 3 230.308 0.145 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1CCCN1C ZINC000836897388 587842242 /nfs/dbraw/zinc/84/22/42/587842242.db2.gz WUOKIZSEVAWYLN-ZJUUUORDSA-N -1 3 230.308 0.145 20 0 BCADHM CCCCCS(=O)(=O)[N-][C@H]1C[C@@H](C)OC1=O ZINC000841523138 587957593 /nfs/dbraw/zinc/95/75/93/587957593.db2.gz LMEPFGLCEBRBAR-BDAKNGLRSA-N -1 3 249.332 0.800 20 0 BCADHM CCCCCS(=O)(=O)[N-][C@H]1C[C@H](C)OC1=O ZINC000841523140 587957867 /nfs/dbraw/zinc/95/78/67/587957867.db2.gz LMEPFGLCEBRBAR-IUCAKERBSA-N -1 3 249.332 0.800 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H](C)F)nn1 ZINC000867308703 588071212 /nfs/dbraw/zinc/07/12/12/588071212.db2.gz LSMDIPSPMYIPJK-SSDOTTSWSA-N -1 3 247.295 0.811 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC[C@H](C)F)nn1 ZINC000867308704 588071247 /nfs/dbraw/zinc/07/12/47/588071247.db2.gz LSMDIPSPMYIPJK-ZETCQYMHSA-N -1 3 247.295 0.811 20 0 BCADHM COCC1(CC(=O)[N-]OC[C@@H]2CCOC2)CC1 ZINC000843862458 588146092 /nfs/dbraw/zinc/14/60/92/588146092.db2.gz BQDZEYXOKNSEFI-SNVBAGLBSA-N -1 3 243.303 0.887 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1CCC(=O)C1 ZINC000843885872 588147608 /nfs/dbraw/zinc/14/76/08/588147608.db2.gz NGFCHPRTKIGJJU-QMMMGPOBSA-N -1 3 215.249 0.440 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@H]1CCC(=O)C1 ZINC000843905227 588149481 /nfs/dbraw/zinc/14/94/81/588149481.db2.gz VLPCLEWEFGNIIX-WCBMZHEXSA-N -1 3 229.276 0.420 20 0 BCADHM CCCO[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000844082167 588162058 /nfs/dbraw/zinc/16/20/58/588162058.db2.gz JHGLAHHVMMPGFU-UHFFFAOYSA-N -1 3 210.233 0.457 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000844082839 588162153 /nfs/dbraw/zinc/16/21/53/588162153.db2.gz GRMVWCORYXXXNA-MRVPVSSYSA-N -1 3 214.265 0.313 20 0 BCADHM CCCO[N-]C(=O)[C@H]1CCn2ccnc2C1 ZINC000844085707 588163902 /nfs/dbraw/zinc/16/39/02/588163902.db2.gz JVQSXTSZXMPZFU-VIFPVBQESA-N -1 3 223.276 0.903 20 0 BCADHM CCCO[N-]C(=O)C[C@@H]1CCC(=O)NC1 ZINC000844090353 588166325 /nfs/dbraw/zinc/16/63/25/588166325.db2.gz OEFUNACKKFMYNK-QMMMGPOBSA-N -1 3 214.265 0.361 20 0 BCADHM CCCO[N-]C(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000844090373 588166354 /nfs/dbraw/zinc/16/63/54/588166354.db2.gz OVMRTWVKFPXPII-UWVGGRQHSA-N -1 3 231.292 0.886 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1CCc2cncn2C1 ZINC000844149985 588170828 /nfs/dbraw/zinc/17/08/28/588170828.db2.gz FKQSCYAYAYWJFA-SECBINFHSA-N -1 3 223.276 0.903 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@]1(F)CCNC1 ZINC000844932723 588219525 /nfs/dbraw/zinc/21/95/25/588219525.db2.gz MEWYTRHQBYLEFC-JTQLQIEISA-N -1 3 232.255 0.011 20 0 BCADHM CC(C)(C)CCOC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845366489 588228091 /nfs/dbraw/zinc/22/80/91/588228091.db2.gz GRJHLZVSSOPFSV-MRVPVSSYSA-N -1 3 249.332 0.658 20 0 BCADHM CCCCOC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845369297 588228163 /nfs/dbraw/zinc/22/81/63/588228163.db2.gz RVNASLLILVYKTF-ZETCQYMHSA-N -1 3 221.278 0.021 20 0 BCADHM O=C(O[C@H]1C=CCCC1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845370716 588228223 /nfs/dbraw/zinc/22/82/23/588228223.db2.gz ARQWRAUWISHBQI-DTWKUNHWSA-N -1 3 245.300 0.330 20 0 BCADHM O=C(OCC1CCCC1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845371090 588228292 /nfs/dbraw/zinc/22/82/92/588228292.db2.gz UDNJDEGKXTUGDO-SECBINFHSA-N -1 3 247.316 0.412 20 0 BCADHM O=C(OC1(C2CC2)CC1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845477888 588229960 /nfs/dbraw/zinc/22/99/60/588229960.db2.gz VDWROHMQGODQSP-MRVPVSSYSA-N -1 3 245.300 0.164 20 0 BCADHM O=C(OCCC1CCC1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845512600 588231545 /nfs/dbraw/zinc/23/15/45/588231545.db2.gz ZXIHFBBSZKMDEZ-VIFPVBQESA-N -1 3 247.316 0.412 20 0 BCADHM COCCO[N-]C(=O)/C=C(/C)COC ZINC000845718382 588242457 /nfs/dbraw/zinc/24/24/57/588242457.db2.gz KLTYHOPXWNFAFD-VURMDHGXSA-N -1 3 203.238 0.273 20 0 BCADHM CCC[C@H](C)S(=O)(=O)[N-]Cc1nonc1C ZINC000845879111 588249340 /nfs/dbraw/zinc/24/93/40/588249340.db2.gz UHXUZKZYYCDVBQ-ZETCQYMHSA-N -1 3 247.320 0.986 20 0 BCADHM COC/C(C)=C/C(=O)[N-]OCC(F)F ZINC000845945148 588251262 /nfs/dbraw/zinc/25/12/62/588251262.db2.gz XOIFSYUSXJVWCI-ZZXKWVIFSA-N -1 3 209.192 0.892 20 0 BCADHM COC/C(C)=C\C(=O)[N-]OC[C@H]1CCOC1 ZINC000845997055 588252842 /nfs/dbraw/zinc/25/28/42/588252842.db2.gz XFHHYDNLWOKSGU-BSKOKIOFSA-N -1 3 229.276 0.663 20 0 BCADHM CCO[N-]C(=O)CNCc1ccncc1C ZINC000846078675 588255457 /nfs/dbraw/zinc/25/54/57/588255457.db2.gz BLQBGRAOQVFYGU-UHFFFAOYSA-N -1 3 223.276 0.547 20 0 BCADHM CCO[N-]C(=O)CN[C@H]1CC[C@H]1SC ZINC000846090917 588256357 /nfs/dbraw/zinc/25/63/57/588256357.db2.gz NBTIXAHNZWLUBD-JGVFFNPUSA-N -1 3 218.322 0.538 20 0 BCADHM COC/C(C)=C\C(=O)[N-]O[C@@H](CO)C(C)C ZINC000846241026 588262214 /nfs/dbraw/zinc/26/22/14/588262214.db2.gz DLSVOMKCNSRJOV-BSKOKIOFSA-N -1 3 231.292 0.644 20 0 BCADHM O=C([N-]OC1CCC1)[C@@H]1CCCS(=O)(=O)C1 ZINC000846237679 588262249 /nfs/dbraw/zinc/26/22/49/588262249.db2.gz KPBWUFASRANSNK-MRVPVSSYSA-N -1 3 247.316 0.412 20 0 BCADHM O=C(CCC1(O)CCC1)[N-]OCC(F)F ZINC000867409359 588263158 /nfs/dbraw/zinc/26/31/58/588263158.db2.gz SOCHTQVJDNDLHU-UHFFFAOYSA-N -1 3 223.219 0.995 20 0 BCADHM COCC1(C(=O)[N-]OC2CCN(C)CC2)CC1 ZINC000846647771 588280577 /nfs/dbraw/zinc/28/05/77/588280577.db2.gz POBQTQXBPQCMNZ-UHFFFAOYSA-N -1 3 242.319 0.555 20 0 BCADHM CCO[C@@H](CC)C(=O)[N-]OC1CCN(C)CC1 ZINC000846651449 588280900 /nfs/dbraw/zinc/28/09/00/588280900.db2.gz NTXRZCQRJDQHGS-NSHDSACASA-N -1 3 244.335 0.944 20 0 BCADHM CN(C1CC1)S(=O)(=O)[N-]C(CF)CF ZINC000885418521 588292800 /nfs/dbraw/zinc/29/28/00/588292800.db2.gz WLDNMZPQPFWERE-UHFFFAOYSA-N -1 3 228.264 0.223 20 0 BCADHM C[C@H](CC(=O)[N-]O[C@@H]1CCCCO1)NC(N)=O ZINC000847414594 588312205 /nfs/dbraw/zinc/31/22/05/588312205.db2.gz PATZSBZYHNMHQN-VXNVDRBHSA-N -1 3 245.279 0.008 20 0 BCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)[N-]OC1CCCCC1 ZINC000847773214 588329551 /nfs/dbraw/zinc/32/95/51/588329551.db2.gz YLPPMROTBOIXRP-UWVGGRQHSA-N -1 3 240.303 0.878 20 0 BCADHM CC1=NC(=O)NC1C(=O)[N-]OC/C=C/Cl ZINC000848105207 588356402 /nfs/dbraw/zinc/35/64/02/588356402.db2.gz MBNDVDJMWFCXLE-NSCUHMNNSA-N -1 3 231.639 0.838 20 0 BCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OC1CCC1 ZINC000848162267 588361930 /nfs/dbraw/zinc/36/19/30/588361930.db2.gz JSIUPZZOTMZRDQ-SFYZADRCSA-N -1 3 212.249 0.098 20 0 BCADHM COCCO[N-]C(=O)Cc1cncc(O)c1 ZINC000848371916 588374388 /nfs/dbraw/zinc/37/43/88/588374388.db2.gz CJBPPGHKDBYQJH-UHFFFAOYSA-N -1 3 226.232 0.024 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1C[C@@H]2C[C@]2(CO)C1 ZINC000848374097 588374542 /nfs/dbraw/zinc/37/45/42/588374542.db2.gz SMDABXMZGDRVFJ-GXFFZTMASA-N -1 3 248.282 0.171 20 0 BCADHM COCCCO[N-]C(=O)Cc1cncc(O)c1 ZINC000848384279 588375441 /nfs/dbraw/zinc/37/54/41/588375441.db2.gz FSOSEFGJTBSIKI-UHFFFAOYSA-N -1 3 240.259 0.414 20 0 BCADHM CC(C)O[N-]C(=O)Cc1cncc(O)c1 ZINC000848386875 588376199 /nfs/dbraw/zinc/37/61/99/588376199.db2.gz YRRZZSITYZCSTH-UHFFFAOYSA-N -1 3 210.233 0.786 20 0 BCADHM CO[C@@H](COC(=O)c1cnn[n-]1)[C@@H]1CCOC1 ZINC000849776356 588497101 /nfs/dbraw/zinc/49/71/01/588497101.db2.gz JLZDTKKXSSOIFQ-APPZFPTMSA-N -1 3 241.247 0.013 20 0 BCADHM CO[C@@H](COC(=O)c1c[n-]nn1)[C@@H]1CCOC1 ZINC000849776356 588497102 /nfs/dbraw/zinc/49/71/02/588497102.db2.gz JLZDTKKXSSOIFQ-APPZFPTMSA-N -1 3 241.247 0.013 20 0 BCADHM CC(C)=CCCOC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000849820307 588503292 /nfs/dbraw/zinc/50/32/92/588503292.db2.gz YGAGNFRUXWQKJM-SECBINFHSA-N -1 3 247.316 0.578 20 0 BCADHM OC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000095163744 598856366 /nfs/dbraw/zinc/85/63/66/598856366.db2.gz MAKBIQIHYNZUHW-MRVPVSSYSA-N -1 3 246.274 0.080 20 0 BCADHM OC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000095163744 598856368 /nfs/dbraw/zinc/85/63/68/598856368.db2.gz MAKBIQIHYNZUHW-MRVPVSSYSA-N -1 3 246.274 0.080 20 0 BCADHM CO[C@H]1CCN(CCF)[C@@H](C(=O)[O-])C1 ZINC000851708524 588615539 /nfs/dbraw/zinc/61/55/39/588615539.db2.gz WLXIZNQDBMZPLC-JGVFFNPUSA-N -1 3 205.229 0.520 20 0 BCADHM CO[C@H]1CC[C@@H](N(C)Cc2n[n-]c(=O)o2)C1 ZINC000852187810 588671249 /nfs/dbraw/zinc/67/12/49/588671249.db2.gz UKZPXAFKTGZGNS-SFYZADRCSA-N -1 3 227.264 0.775 20 0 BCADHM Cc1cc(=O)[n-]c(CN2CC[C@@]3(O)C[C@H]3C2)n1 ZINC000852537455 588688790 /nfs/dbraw/zinc/68/87/90/588688790.db2.gz DOMLQSUESXRAOW-JOYOIKCWSA-N -1 3 235.287 0.447 20 0 BCADHM CN(CC(=O)[N-]OCC1CC1)C1CCC1 ZINC000863918448 589326037 /nfs/dbraw/zinc/32/60/37/589326037.db2.gz JKRAZDYDFRCISS-UHFFFAOYSA-N -1 3 212.293 0.929 20 0 BCADHM NC[C@H]1CC(C(=O)[N-]OCc2ccccc2)=NO1 ZINC000852853462 588708309 /nfs/dbraw/zinc/70/83/09/588708309.db2.gz GBOXEMVKVFMGLL-SNVBAGLBSA-N -1 3 249.270 0.338 20 0 BCADHM Nc1ccc(C(=O)NCCOCCF)c([O-])c1 ZINC000852927661 588713911 /nfs/dbraw/zinc/71/39/11/588713911.db2.gz POOVSUQHHCVTMS-UHFFFAOYSA-N -1 3 242.250 0.690 20 0 BCADHM C[C@H](C(=O)[N-]OC1CCCC1)[C@H]1CCC(=O)N1 ZINC000860602847 589109327 /nfs/dbraw/zinc/10/93/27/589109327.db2.gz YLSMVIJOIMMWKY-WCBMZHEXSA-N -1 3 240.303 0.892 20 0 BCADHM CCc1n[n-]c(Cl)c1C(=O)OCCC(N)=O ZINC000860629966 589111239 /nfs/dbraw/zinc/11/12/39/589111239.db2.gz NETFXRPQEUPHOV-UHFFFAOYSA-N -1 3 245.666 0.658 20 0 BCADHM C[C@H](C(=O)[N-]OCC(F)F)[C@@H]1CCC(=O)N1 ZINC000860812176 589121913 /nfs/dbraw/zinc/12/19/13/589121913.db2.gz RITGBUQELVTKPK-WDSKDSINSA-N -1 3 236.218 0.214 20 0 BCADHM CCCON=C([O-])Nc1cc(OC)n[nH]1 ZINC000861379046 589162094 /nfs/dbraw/zinc/16/20/94/589162094.db2.gz FCTKJMDOOQLQPZ-UHFFFAOYSA-N -1 3 214.225 0.881 20 0 BCADHM CCCO[N-]C(=O)Nc1cc(OC)n[nH]1 ZINC000861379046 589162095 /nfs/dbraw/zinc/16/20/95/589162095.db2.gz FCTKJMDOOQLQPZ-UHFFFAOYSA-N -1 3 214.225 0.881 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCCc2n[nH]cc21 ZINC000861386475 589162584 /nfs/dbraw/zinc/16/25/84/589162584.db2.gz ANVHEWGEQZMBER-UHFFFAOYSA-N -1 3 245.242 0.498 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC000861809726 589179048 /nfs/dbraw/zinc/17/90/48/589179048.db2.gz VRGQXMZMXRFSGK-GUBZILKMSA-N -1 3 242.319 0.995 20 0 BCADHM C[C@@H](C(=O)[N-]OCCC1CC1)[C@@H]1CCC(=O)N1 ZINC000861823240 589179618 /nfs/dbraw/zinc/17/96/18/589179618.db2.gz HCJLEFUIDXJMIO-SCZZXKLOSA-N -1 3 240.303 0.749 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC2(CC2)C1 ZINC000861854576 589180734 /nfs/dbraw/zinc/18/07/34/589180734.db2.gz PEKIZDNHBFLEAN-UHFFFAOYSA-N -1 3 205.217 0.418 20 0 BCADHM CC(C)O[N-]C(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC000861880066 589181789 /nfs/dbraw/zinc/18/17/89/589181789.db2.gz YXQLIYMTMWMXOU-SFYZADRCSA-N -1 3 214.265 0.357 20 0 BCADHM COC1CC(C(=O)[N-]O[C@@H](CO)C(C)C)C1 ZINC000861907904 589183081 /nfs/dbraw/zinc/18/30/81/589183081.db2.gz WUISBVHDARGFPZ-RTBKNWGFSA-N -1 3 231.292 0.476 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC[C@H]2COCO2)c1 ZINC000861964091 589185053 /nfs/dbraw/zinc/18/50/53/589185053.db2.gz DTITZNDEUXTBJT-VIFPVBQESA-N -1 3 237.255 0.803 20 0 BCADHM O=C(NC[C@H]1COCO1)c1ccc2n[n-]nc2c1 ZINC000861966608 589185467 /nfs/dbraw/zinc/18/54/67/589185467.db2.gz SGOKIJXRIGFJBJ-QMMMGPOBSA-N -1 3 248.242 0.061 20 0 BCADHM Cc1ccnn1CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000862045128 589190807 /nfs/dbraw/zinc/19/08/07/589190807.db2.gz QUJACTBZBDODKG-QMMMGPOBSA-N -1 3 238.316 0.799 20 0 BCADHM C[C@@H](C(=O)[N-]OCC1CCC1)[C@H]1CCC(=O)N1 ZINC000862233539 589196173 /nfs/dbraw/zinc/19/61/73/589196173.db2.gz YHMSCFWSVCRIEW-PSASIEDQSA-N -1 3 240.303 0.749 20 0 BCADHM Cc1ccc([O-])c(C(=O)NN2CCOC2=O)c1 ZINC000862698114 589233073 /nfs/dbraw/zinc/23/30/73/589233073.db2.gz GETBEFIZZRTZCO-UHFFFAOYSA-N -1 3 236.227 0.798 20 0 BCADHM Cc1ccc(C(=O)NN2CCOC2=O)c([O-])c1 ZINC000862702105 589234345 /nfs/dbraw/zinc/23/43/45/589234345.db2.gz XUVURFOFBJLSHY-UHFFFAOYSA-N -1 3 236.227 0.798 20 0 BCADHM C[C@]1(C(=O)[N-]N2CCOC2=O)CC1(F)F ZINC000862705055 589235659 /nfs/dbraw/zinc/23/56/59/589235659.db2.gz IWEWWHIRJHGXGZ-SSDOTTSWSA-N -1 3 220.175 0.515 20 0 BCADHM O=C([N-][C@H]1Cc2ccccc2NC1=O)C(F)F ZINC000862996901 589250850 /nfs/dbraw/zinc/25/08/50/589250850.db2.gz OYNNVRFXAZDQBV-QMMMGPOBSA-N -1 3 240.209 0.931 20 0 BCADHM COCCOc1cccc(CC(=O)[N-]OC)c1 ZINC000119220668 589251379 /nfs/dbraw/zinc/25/13/79/589251379.db2.gz WDIRYFFBFFAYKA-UHFFFAOYSA-N -1 3 239.271 0.932 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NCC1COC1 ZINC000863353942 589282290 /nfs/dbraw/zinc/28/22/90/589282290.db2.gz QASHXVKYFBJJSJ-UPHRSURJSA-N -1 3 234.255 0.563 20 0 BCADHM CON(C)C(=O)[C@@H](C)[N-]C(=O)C(C)(F)F ZINC000863522508 589295874 /nfs/dbraw/zinc/29/58/74/589295874.db2.gz VGTQVOHBPJACBR-RXMQYKEDSA-N -1 3 224.207 0.166 20 0 BCADHM C[C@H](CN(C)c1ccnc(CO)c1)C(=O)[O-] ZINC000863733795 589313908 /nfs/dbraw/zinc/31/39/08/589313908.db2.gz WRPQLVLZQZGWSW-MRVPVSSYSA-N -1 3 224.260 0.731 20 0 BCADHM CSCCO[N-]C(=O)CCc1cn[nH]c1 ZINC000863912439 589325639 /nfs/dbraw/zinc/32/56/39/589325639.db2.gz MOLYVEXZVLCFCM-UHFFFAOYSA-N -1 3 229.305 0.753 20 0 BCADHM CN(CC(=O)[N-]OC(C)(C)CO)C1CCC1 ZINC000863924185 589326889 /nfs/dbraw/zinc/32/68/89/589326889.db2.gz USUCWTBRJDHAOL-UHFFFAOYSA-N -1 3 230.308 0.289 20 0 BCADHM O=C([N-]c1nnnn1C1CC1)C(F)F ZINC000863947164 589328989 /nfs/dbraw/zinc/32/89/89/589328989.db2.gz WVSBWMZGQUTECG-UHFFFAOYSA-N -1 3 203.152 0.212 20 0 BCADHM O=C(NC1COC1)c1nnc2ccccc2c1[O-] ZINC000864048480 589334270 /nfs/dbraw/zinc/33/42/70/589334270.db2.gz JQNUYYSGXRMYCR-UHFFFAOYSA-N -1 3 245.238 0.464 20 0 BCADHM CC[C@]1(C(=O)[N-]C2=NCCS2)CCNC1=O ZINC000864604429 589382947 /nfs/dbraw/zinc/38/29/47/589382947.db2.gz RORCSCDJAUTVPJ-JTQLQIEISA-N -1 3 241.316 0.122 20 0 BCADHM CN1C(=O)N=CC1C(=O)[N-]O[C@H]1CCCCO1 ZINC000865082338 589408201 /nfs/dbraw/zinc/40/82/01/589408201.db2.gz UOTHUGVXAYRKET-QMMMGPOBSA-N -1 3 241.247 0.314 20 0 BCADHM Cn1c(C(=O)[N-]O[C@H]2CCCCO2)c[nH]c1=O ZINC000865082338 589408202 /nfs/dbraw/zinc/40/82/02/589408202.db2.gz UOTHUGVXAYRKET-QMMMGPOBSA-N -1 3 241.247 0.314 20 0 BCADHM CCCn1cc(C[N-]c2nc(C)no2)nn1 ZINC000865289700 589419777 /nfs/dbraw/zinc/41/97/77/589419777.db2.gz DUOAQFDVJZPUQB-UHFFFAOYSA-N -1 3 222.252 0.992 20 0 BCADHM O=c1[nH][n-]cc1CCCNc1cnc(F)cn1 ZINC000865942218 589469589 /nfs/dbraw/zinc/46/95/89/589469589.db2.gz PWXUBVQRUQLRMT-SSDOTTSWSA-N -1 3 237.238 0.540 20 0 BCADHM CC[C@H](C[C@H](C)O)N=c1ncnc2[nH][n-]cc1-2 ZINC000866300864 589484816 /nfs/dbraw/zinc/48/48/16/589484816.db2.gz YKJXLZWFMIUORX-JGVFFNPUSA-N -1 3 235.291 0.688 20 0 BCADHM CC[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC000866378969 589488924 /nfs/dbraw/zinc/48/89/24/589488924.db2.gz CTHATPNFRAEQAN-UHFFFAOYSA-N -1 3 228.339 0.349 20 0 BCADHM CC(C)C1(S(=O)(=O)[N-][C@H]2CCOC2=O)CC1 ZINC000866393298 589489701 /nfs/dbraw/zinc/48/97/01/589489701.db2.gz FDKSZWLMXZVMRP-QMMMGPOBSA-N -1 3 247.316 0.410 20 0 BCADHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866495340 589497321 /nfs/dbraw/zinc/49/73/21/589497321.db2.gz BDUZFQAVMNYKDD-RQJHMYQMSA-N -1 3 240.350 0.204 20 0 BCADHM NC(=O)CON=C([O-])Nc1ccc(F)c(F)c1 ZINC000121193393 589513123 /nfs/dbraw/zinc/51/31/23/589513123.db2.gz GDYAMFIQPVKYRR-UHFFFAOYSA-N -1 3 245.185 0.503 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccc(F)c(F)c1 ZINC000121193393 589513125 /nfs/dbraw/zinc/51/31/25/589513125.db2.gz GDYAMFIQPVKYRR-UHFFFAOYSA-N -1 3 245.185 0.503 20 0 BCADHM CS[C@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000867674965 589529992 /nfs/dbraw/zinc/52/99/92/589529992.db2.gz LCHWVWJMKGMYOW-LJGSYFOKSA-N -1 3 247.345 0.582 20 0 BCADHM COCCCO[N-]C(=O)CCC1(O)CCC1 ZINC000868326880 589554799 /nfs/dbraw/zinc/55/47/99/589554799.db2.gz LFWRNSYXSZITLT-UHFFFAOYSA-N -1 3 231.292 0.766 20 0 BCADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000868427780 589557863 /nfs/dbraw/zinc/55/78/63/589557863.db2.gz ZVTJFEMHWNZIGX-VGRMVHKJSA-N -1 3 246.274 0.683 20 0 BCADHM CCC=C(F)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000868428214 589557889 /nfs/dbraw/zinc/55/78/89/589557889.db2.gz UKCHVLBMOKJRPH-HYXAFXHYSA-N -1 3 224.199 0.654 20 0 BCADHM CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)N(C)C ZINC000868444161 589558802 /nfs/dbraw/zinc/55/88/02/589558802.db2.gz BVHHDDTUHHZLRA-AEJSXWLSSA-N -1 3 242.319 0.552 20 0 BCADHM O=C(CCCCO)[N-]OC/C=C/Cl ZINC000868469053 589559312 /nfs/dbraw/zinc/55/93/12/589559312.db2.gz GEHYKQHDTRCETD-HWKANZROSA-N -1 3 207.657 0.949 20 0 BCADHM CSCC[C@@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000122261825 589573368 /nfs/dbraw/zinc/57/33/68/589573368.db2.gz ZIQCWZKAKYYHOP-SSDOTTSWSA-N -1 3 249.361 0.830 20 0 BCADHM CCC=C(C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869022535 589584904 /nfs/dbraw/zinc/58/49/04/589584904.db2.gz GBWSYLPWQACAOB-DAXSKMNVSA-N -1 3 237.259 0.860 20 0 BCADHM CCCC=CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869021295 589585155 /nfs/dbraw/zinc/58/51/55/589585155.db2.gz DMZLFHRRRBXSKK-SNAWJCMRSA-N -1 3 237.259 0.860 20 0 BCADHM CCc1ccc(C(=O)N[C@H]2CCOC2=O)c([O-])c1 ZINC000869097157 589588259 /nfs/dbraw/zinc/58/82/59/589588259.db2.gz WXIXFQGXRHWERB-JTQLQIEISA-N -1 3 249.266 1.000 20 0 BCADHM CCn1ncc(C(=O)[N-]N2CCOC2=O)c1C ZINC000869406432 589604029 /nfs/dbraw/zinc/60/40/29/589604029.db2.gz RVUAHHSDGWHGTB-UHFFFAOYSA-N -1 3 238.247 0.308 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@@H]1CCO[C@H]1C ZINC000869505191 589610185 /nfs/dbraw/zinc/61/01/85/589610185.db2.gz LLCYPXQTRLJNTI-YUMQZZPRSA-N -1 3 225.248 0.695 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1C[C@@H](CO)C1 ZINC000869872890 589633980 /nfs/dbraw/zinc/63/39/80/589633980.db2.gz UUABNIPGBRPJPK-SHLGALIJSA-N -1 3 248.282 0.688 20 0 BCADHM C[C@H](O)COC(=O)c1cn[n-]c1[C@@H]1CCCO1 ZINC000869898405 589636941 /nfs/dbraw/zinc/63/69/41/589636941.db2.gz GXBVBZNDTNUHRL-CBAPKCEASA-N -1 3 240.259 0.799 20 0 BCADHM C[C@H](O)COC(=O)c1c[n-]nc1[C@@H]1CCCO1 ZINC000869898405 589636942 /nfs/dbraw/zinc/63/69/42/589636942.db2.gz GXBVBZNDTNUHRL-CBAPKCEASA-N -1 3 240.259 0.799 20 0 BCADHM CC1(NC(=O)/C=C/c2cncc([O-])c2)COC1 ZINC000870664533 589681058 /nfs/dbraw/zinc/68/10/58/589681058.db2.gz RNRHTLVZRZFVFC-NSCUHMNNSA-N -1 3 234.255 0.706 20 0 BCADHM O=C([N-]C1COC1)C(F)(F)c1nccs1 ZINC000870870452 589692890 /nfs/dbraw/zinc/69/28/90/589692890.db2.gz WNNTWVYCWHBHOQ-UHFFFAOYSA-N -1 3 234.227 0.750 20 0 BCADHM O=C([O-])CCCN1CCN2C(=O)CC[C@@H]2C1 ZINC000123489766 589730983 /nfs/dbraw/zinc/73/09/83/589730983.db2.gz TXKCRHMSCHARDS-SECBINFHSA-N -1 3 226.276 0.158 20 0 BCADHM CC(=O)[N-]OCc1nc(CC2CC2)no1 ZINC000871729143 589799396 /nfs/dbraw/zinc/79/93/96/589799396.db2.gz CMHBAZHHSZQRNM-UHFFFAOYSA-N -1 3 211.221 0.590 20 0 BCADHM CCOC(=O)c1ncc(CO[N-]C(C)=O)s1 ZINC000871729602 589799721 /nfs/dbraw/zinc/79/97/21/589799721.db2.gz VXAGFHBUPZZGRQ-UHFFFAOYSA-N -1 3 244.272 0.888 20 0 BCADHM CC(=O)[N-]OCc1cn(C)nc1Br ZINC000871729470 589799942 /nfs/dbraw/zinc/79/99/42/589799942.db2.gz PLUYPHLSIBXXAR-UHFFFAOYSA-N -1 3 248.080 0.750 20 0 BCADHM CC[C@H](C)NC(=O)Cn1c([O-])c(C)oc1=O ZINC000871781401 589816495 /nfs/dbraw/zinc/81/64/95/589816495.db2.gz DLUKUASLRLLRDH-NKWVEPMBSA-N -1 3 228.248 0.268 20 0 BCADHM Cc1oc(=O)n(CC(=O)N2CCCCC2)c1[O-] ZINC000871782392 589816915 /nfs/dbraw/zinc/81/69/15/589816915.db2.gz OIRLEVNXVVAYBB-QMMMGPOBSA-N -1 3 240.259 0.366 20 0 BCADHM Cc1oc(=O)n(Cc2nc(C3CC3)no2)c1[O-] ZINC000871782513 589817208 /nfs/dbraw/zinc/81/72/08/589817208.db2.gz RDTHMSQEIYKECR-RXMQYKEDSA-N -1 3 237.215 0.814 20 0 BCADHM Cc1oc(=O)n(Cc2nc(N(C)C)no2)c1[O-] ZINC000871782191 589817381 /nfs/dbraw/zinc/81/73/81/589817381.db2.gz XKNRAPQAUCCORC-YFKPBYRVSA-N -1 3 240.219 0.003 20 0 BCADHM CCc1noc(Cn2c([O-])c(C)oc2=O)n1 ZINC000871782684 589817661 /nfs/dbraw/zinc/81/76/61/589817661.db2.gz WHZTVMQIABOLFQ-RXMQYKEDSA-N -1 3 225.204 0.499 20 0 BCADHM CN(C)CCn1[n-]c(C(F)(F)F)c(F)c1=O ZINC000871943255 589837005 /nfs/dbraw/zinc/83/70/05/589837005.db2.gz DBTRIYZVILHFKA-YFKPBYRVSA-N -1 3 241.188 0.647 20 0 BCADHM C[C@H](N[C@@H]1COC[C@H]1O)c1cccc([O-])c1F ZINC000872076516 589865698 /nfs/dbraw/zinc/86/56/98/589865698.db2.gz MHSYIIMLHCEVQP-JVUFJMBOSA-N -1 3 241.262 0.942 20 0 BCADHM Nc1ccc(C(=O)N2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000872314525 589910000 /nfs/dbraw/zinc/91/00/00/589910000.db2.gz HLLLLMFANZJQOP-DTORHVGOSA-N -1 3 248.282 0.693 20 0 BCADHM COCCNc1cc(Cl)n[n-]c1=O ZINC000872386349 589930024 /nfs/dbraw/zinc/93/00/24/589930024.db2.gz JGPGXOHMALUFBY-UHFFFAOYSA-N -1 3 203.629 0.894 20 0 BCADHM CCN(CCO)c1cc(Cl)n[n-]c1=O ZINC000872387194 589930740 /nfs/dbraw/zinc/93/07/40/589930740.db2.gz GWSFCGNJQSUTDO-UHFFFAOYSA-N -1 3 217.656 0.654 20 0 BCADHM CC(C)NC(=O)CNc1cc(Cl)n[n-]c1=O ZINC000872395424 589932650 /nfs/dbraw/zinc/93/26/50/589932650.db2.gz LTKDDWQSSRFWIS-UHFFFAOYSA-N -1 3 244.682 0.772 20 0 BCADHM COC(=O)CN(C)c1cc(Cl)n[n-]c1=O ZINC000872402911 589935606 /nfs/dbraw/zinc/93/56/06/589935606.db2.gz PVCIIRJSMIXTDS-UHFFFAOYSA-N -1 3 231.639 0.445 20 0 BCADHM COCCOCCNc1cc(Cl)n[n-]c1=O ZINC000872409190 589935921 /nfs/dbraw/zinc/93/59/21/589935921.db2.gz FVWIEPLVDFDEAZ-UHFFFAOYSA-N -1 3 247.682 0.911 20 0 BCADHM COCCN(C)c1cc(Cl)n[n-]c1=O ZINC000872418307 589937529 /nfs/dbraw/zinc/93/75/29/589937529.db2.gz KBVRSZFSXPMHKR-UHFFFAOYSA-N -1 3 217.656 0.918 20 0 BCADHM C[C@H](O)CN(C)c1cc(Cl)n[n-]c1=O ZINC000872423255 589938229 /nfs/dbraw/zinc/93/82/29/589938229.db2.gz IZWLGGQQFPQHFV-YFKPBYRVSA-N -1 3 217.656 0.653 20 0 BCADHM C[C@]1(O)CCN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872476971 589943487 /nfs/dbraw/zinc/94/34/87/589943487.db2.gz BXMZWKSRNNFNGF-VIFPVBQESA-N -1 3 229.667 0.797 20 0 BCADHM CCN(C)C(=O)CNc1cc(Cl)n[n-]c1=O ZINC000872513378 589946082 /nfs/dbraw/zinc/94/60/82/589946082.db2.gz NFUHTZBJSOAFRJ-UHFFFAOYSA-N -1 3 244.682 0.726 20 0 BCADHM C[C@H]1CN(c2cc(Cl)n[n-]c2=O)CC(=O)N1 ZINC000872559697 589950995 /nfs/dbraw/zinc/95/09/95/589950995.db2.gz BJJQNSQVABAAIG-YFKPBYRVSA-N -1 3 242.666 0.160 20 0 BCADHM O=S(=O)([N-]C[C@H]1C[C@H](O)C1)c1cscn1 ZINC000872579955 589954596 /nfs/dbraw/zinc/95/45/96/589954596.db2.gz LESXUUXBKDNTQL-LJGSYFOKSA-N -1 3 248.329 0.192 20 0 BCADHM CO[C@](C)(CO)CNc1cc(Cl)n[n-]c1=O ZINC000872589837 589955421 /nfs/dbraw/zinc/95/54/21/589955421.db2.gz YQBYRDNRPPZGQG-VIFPVBQESA-N -1 3 247.682 0.645 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2CC23CCC3)n1 ZINC000872649586 589958917 /nfs/dbraw/zinc/95/89/17/589958917.db2.gz FFSPLRRHFUSWMG-MRVPVSSYSA-N -1 3 241.316 0.641 20 0 BCADHM N[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000872771666 589967720 /nfs/dbraw/zinc/96/77/20/589967720.db2.gz KFZSEDBCOUGAHF-LURJTMIESA-N -1 3 228.683 0.763 20 0 BCADHM O=C([O-])COCCNc1ccnc(CO)c1 ZINC000873062789 589981995 /nfs/dbraw/zinc/98/19/95/589981995.db2.gz ANWZSSXDUPLDJS-UHFFFAOYSA-N -1 3 226.232 0.087 20 0 BCADHM O=C(N[C@H]1CCOC1=O)c1ccccc1[O-] ZINC000019836673 589990036 /nfs/dbraw/zinc/99/00/36/589990036.db2.gz SJGFAYWRHKBKDM-QMMMGPOBSA-N -1 3 221.212 0.438 20 0 BCADHM CO[C@H]1C[C@@H](COC(=O)c2cnn[n-]2)C1 ZINC000873392881 590036959 /nfs/dbraw/zinc/03/69/59/590036959.db2.gz ICYDKCGWODVHPR-KNVOCYPGSA-N -1 3 211.221 0.387 20 0 BCADHM CO[C@H]1C[C@@H](COC(=O)c2c[n-]nn2)C1 ZINC000873392881 590036962 /nfs/dbraw/zinc/03/69/62/590036962.db2.gz ICYDKCGWODVHPR-KNVOCYPGSA-N -1 3 211.221 0.387 20 0 BCADHM C[C@H](C(=O)[O-])N1CCN(C)c2ncccc2C1 ZINC000873648742 590066435 /nfs/dbraw/zinc/06/64/35/590066435.db2.gz NDUZOIUGVMTVLO-SECBINFHSA-N -1 3 235.287 0.807 20 0 BCADHM O=C(C[C@H]1COC(=O)C1)Nc1ccncc1[O-] ZINC000125122978 590125053 /nfs/dbraw/zinc/12/50/53/590125053.db2.gz GPYDHWYURRBWBF-SSDOTTSWSA-N -1 3 236.227 0.679 20 0 BCADHM Cc1nonc1[N-]C(=O)c1cn(C2CC2)nn1 ZINC000875269792 590162459 /nfs/dbraw/zinc/16/24/59/590162459.db2.gz IYYBEDUKKWSHKT-UHFFFAOYSA-N -1 3 234.219 0.557 20 0 BCADHM COCCON=C([O-])Nc1ncccn1 ZINC000888695022 590184649 /nfs/dbraw/zinc/18/46/49/590184649.db2.gz NLLQIEYYIBOKRC-UHFFFAOYSA-N -1 3 212.209 0.176 20 0 BCADHM COCCO[N-]C(=O)Nc1ncccn1 ZINC000888695022 590184651 /nfs/dbraw/zinc/18/46/51/590184651.db2.gz NLLQIEYYIBOKRC-UHFFFAOYSA-N -1 3 212.209 0.176 20 0 BCADHM Cc1nc(C)c(CC(=O)OCCF)c(=O)[n-]1 ZINC000125847526 590193303 /nfs/dbraw/zinc/19/33/03/590193303.db2.gz SKMKZUWWPDVRGE-UHFFFAOYSA-N -1 3 228.223 0.442 20 0 BCADHM Cc1nocc1NC([O-])=NOCCO ZINC000888733152 590263031 /nfs/dbraw/zinc/26/30/31/590263031.db2.gz BUCDRFLWQKHCLB-UHFFFAOYSA-N -1 3 201.182 0.028 20 0 BCADHM Cc1nocc1NC(=O)[N-]OCCO ZINC000888733152 590263033 /nfs/dbraw/zinc/26/30/33/590263033.db2.gz BUCDRFLWQKHCLB-UHFFFAOYSA-N -1 3 201.182 0.028 20 0 BCADHM NC(=O)[C@@H]([N-]C(=O)C(F)F)c1ccccc1 ZINC000877149694 590292890 /nfs/dbraw/zinc/29/28/90/590292890.db2.gz QFPVECKXYQBZRT-ZETCQYMHSA-N -1 3 228.198 0.594 20 0 BCADHM CCO[N-]C(=O)CN[C@@H](C)[C@@H]1CC1(F)F ZINC000877614037 590373657 /nfs/dbraw/zinc/37/36/57/590373657.db2.gz UDFMEKKWRDEFHW-BQBZGAKWSA-N -1 3 222.235 0.687 20 0 BCADHM CN(CCO)Cc1nnc(-c2ccccc2[O-])o1 ZINC000877949517 590454657 /nfs/dbraw/zinc/45/46/57/590454657.db2.gz ITAWYMNPSQSNRW-UHFFFAOYSA-N -1 3 249.270 0.866 20 0 BCADHM Cc1ncsc1[N-]C(=O)c1nnn(C)n1 ZINC000879165526 590707195 /nfs/dbraw/zinc/70/71/95/590707195.db2.gz FVIZUDLPEVTSPZ-UHFFFAOYSA-N -1 3 224.249 0.227 20 0 BCADHM CO[C@H]1CC[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000879319890 590740841 /nfs/dbraw/zinc/74/08/41/590740841.db2.gz CJCSWLQTATVMSF-BDAKNGLRSA-N -1 3 240.307 0.108 20 0 BCADHM O=C([N-]N1CN=NC1=O)C1(C(F)F)CCC1 ZINC000879371676 590755217 /nfs/dbraw/zinc/75/52/17/590755217.db2.gz WQHXDDGXUUYQEH-UHFFFAOYSA-N -1 3 232.190 0.489 20 0 BCADHM CCn1ncc(C(=O)[N-]n2ccccc2=O)c1C ZINC000879397149 590760907 /nfs/dbraw/zinc/76/09/07/590760907.db2.gz LXCXZEFLDWGJCU-UHFFFAOYSA-N -1 3 246.270 0.757 20 0 BCADHM Cn1[n-]c(CN2CCC[C@@H](CF)C2)nc1=O ZINC000880236747 590966824 /nfs/dbraw/zinc/96/68/24/590966824.db2.gz HIWZEEDJGHWSKM-QMMMGPOBSA-N -1 3 228.271 0.290 20 0 BCADHM COc1ccc(NC([O-])=NOCCO)c(F)c1 ZINC000880326786 591005334 /nfs/dbraw/zinc/00/53/34/591005334.db2.gz STMVKTBHKSDTKV-UHFFFAOYSA-N -1 3 244.222 0.880 20 0 BCADHM COc1ccc(NC(=O)[N-]OCCO)c(F)c1 ZINC000880326786 591005339 /nfs/dbraw/zinc/00/53/39/591005339.db2.gz STMVKTBHKSDTKV-UHFFFAOYSA-N -1 3 244.222 0.880 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880513689 591082509 /nfs/dbraw/zinc/08/25/09/591082509.db2.gz GFPBEEJOFJNTQM-IYSWYEEDSA-N -1 3 239.300 0.743 20 0 BCADHM C[C@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880516213 591084009 /nfs/dbraw/zinc/08/40/09/591084009.db2.gz GFPBEEJOFJNTQM-CAHLUQPWSA-N -1 3 239.300 0.743 20 0 BCADHM O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(=O)[n-]cn1 ZINC000888836602 591140237 /nfs/dbraw/zinc/14/02/37/591140237.db2.gz CLJJOIPSECRDFK-HYVHXENYSA-N -1 3 247.254 0.088 20 0 BCADHM CC[C@H](C)CON=C([O-])Nc1cn(C)nn1 ZINC000881212173 591172645 /nfs/dbraw/zinc/17/26/45/591172645.db2.gz OVBIHSGFDMWQAI-ZETCQYMHSA-N -1 3 227.268 0.914 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)Nc1cn(C)nn1 ZINC000881212173 591172646 /nfs/dbraw/zinc/17/26/46/591172646.db2.gz OVBIHSGFDMWQAI-ZETCQYMHSA-N -1 3 227.268 0.914 20 0 BCADHM CCCON=C([O-])Nc1cc(OC)nn1C ZINC000881238575 591174658 /nfs/dbraw/zinc/17/46/58/591174658.db2.gz IDCVFBWKWYCKNK-UHFFFAOYSA-N -1 3 228.252 0.892 20 0 BCADHM CCCO[N-]C(=O)Nc1cc(OC)nn1C ZINC000881238575 591174661 /nfs/dbraw/zinc/17/46/61/591174661.db2.gz IDCVFBWKWYCKNK-UHFFFAOYSA-N -1 3 228.252 0.892 20 0 BCADHM COc1cc(NC([O-])=NOC(C)C)n(C)n1 ZINC000881240866 591175518 /nfs/dbraw/zinc/17/55/18/591175518.db2.gz ATDILJTWGHXWKG-UHFFFAOYSA-N -1 3 228.252 0.890 20 0 BCADHM COc1cc(NC(=O)[N-]OC(C)C)n(C)n1 ZINC000881240866 591175521 /nfs/dbraw/zinc/17/55/21/591175521.db2.gz ATDILJTWGHXWKG-UHFFFAOYSA-N -1 3 228.252 0.890 20 0 BCADHM Cn1cc(C(=O)NC[C@H]2C=CCC2)c(=O)[n-]c1=O ZINC000881491942 591216453 /nfs/dbraw/zinc/21/64/53/591216453.db2.gz DKAQALYJMBBHER-QMMMGPOBSA-N -1 3 249.270 0.182 20 0 BCADHM C[C@@H](O)CNC(=O)c1nnc2ccccc2c1[O-] ZINC000129206262 591269164 /nfs/dbraw/zinc/26/91/64/591269164.db2.gz JCRPVDFBSDEGFG-SSDOTTSWSA-N -1 3 247.254 0.034 20 0 BCADHM CCNC(=O)C[N-]c1nnc(C(C)(C)C)o1 ZINC000881771423 591270060 /nfs/dbraw/zinc/27/00/60/591270060.db2.gz SRESHLFLXNEQRU-UHFFFAOYSA-N -1 3 226.280 0.915 20 0 BCADHM CCC[C@H]([N-]S(=O)(=O)C1CCC1)C(=O)OC ZINC000882040629 591291042 /nfs/dbraw/zinc/29/10/42/591291042.db2.gz TVFHAAPKTQYTNF-VIFPVBQESA-N -1 3 249.332 0.800 20 0 BCADHM OCc1nc(SCO[C@H]2CCCOC2)n[n-]1 ZINC000882158667 591308541 /nfs/dbraw/zinc/30/85/41/591308541.db2.gz UDIGLVMFQWDLRX-ZETCQYMHSA-N -1 3 245.304 0.542 20 0 BCADHM C(Cc1nnn[n-]1)SC[C@@H]1CCOCO1 ZINC000882184901 591312231 /nfs/dbraw/zinc/31/22/31/591312231.db2.gz RLYYXEDMYLHKIZ-ZETCQYMHSA-N -1 3 230.293 0.238 20 0 BCADHM C(Cc1nn[n-]n1)SC[C@@H]1CCOCO1 ZINC000882184901 591312233 /nfs/dbraw/zinc/31/22/33/591312233.db2.gz RLYYXEDMYLHKIZ-ZETCQYMHSA-N -1 3 230.293 0.238 20 0 BCADHM Cc1cnc(C)c(N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC000882181584 591312389 /nfs/dbraw/zinc/31/23/89/591312389.db2.gz HVJHOLUEMPNQPR-ZETCQYMHSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1cnc(C)c(N(C)C[C@H](C)c2nn[n-]n2)n1 ZINC000882181584 591312393 /nfs/dbraw/zinc/31/23/93/591312393.db2.gz HVJHOLUEMPNQPR-ZETCQYMHSA-N -1 3 247.306 0.846 20 0 BCADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)C2CCC2)C(=O)O1 ZINC000882198199 591315571 /nfs/dbraw/zinc/31/55/71/591315571.db2.gz SGHRORVMGQUKGH-POYBYMJQSA-N -1 3 233.289 0.162 20 0 BCADHM O=S(=O)([N-][C@H]1C[C@@H](O)C1)c1cccnc1F ZINC000882244770 591320961 /nfs/dbraw/zinc/32/09/61/591320961.db2.gz AXMDYJRVDBKMDH-KNVOCYPGSA-N -1 3 246.263 0.022 20 0 BCADHM CC(C)[C@H](C)NC(=O)Cn1c([O-])coc1=O ZINC000882272556 591324146 /nfs/dbraw/zinc/32/41/46/591324146.db2.gz SOXOBQMGUJRVDF-ZETCQYMHSA-N -1 3 228.248 0.126 20 0 BCADHM CC1(C)CO[C@H](Cn2c([O-])coc2=O)C1 ZINC000882276163 591324882 /nfs/dbraw/zinc/32/48/82/591324882.db2.gz CKHMQOLROCBXNM-ZETCQYMHSA-N -1 3 213.233 0.780 20 0 BCADHM C[C@H](C(=O)C(C)(C)C)n1c([O-])coc1=O ZINC000882276340 591325078 /nfs/dbraw/zinc/32/50/78/591325078.db2.gz FRQGCAVEENYPAP-ZCFIWIBFSA-N -1 3 213.233 0.969 20 0 BCADHM Cc1nc(CCn2c([O-])coc2=O)cs1 ZINC000882276009 591325094 /nfs/dbraw/zinc/32/50/94/591325094.db2.gz WZXFSUWTSNESPJ-UHFFFAOYSA-N -1 3 226.257 0.973 20 0 BCADHM CC(C)(C)CNC(=O)Cn1c([O-])coc1=O ZINC000882277086 591325745 /nfs/dbraw/zinc/32/57/45/591325745.db2.gz VRONRJPKGRDMSV-UHFFFAOYSA-N -1 3 228.248 0.128 20 0 BCADHM CCN1CC[C@@H]1CNC(=O)c1cc(=O)[n-]cn1 ZINC000882496289 591377676 /nfs/dbraw/zinc/37/76/76/591377676.db2.gz RECHVFLHDGZSFB-MRVPVSSYSA-N -1 3 236.275 0.006 20 0 BCADHM CCN1CC[C@H]1CNC(=O)c1cc(=O)[n-]cn1 ZINC000882496290 591378618 /nfs/dbraw/zinc/37/86/18/591378618.db2.gz RECHVFLHDGZSFB-QMMMGPOBSA-N -1 3 236.275 0.006 20 0 BCADHM CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccco2)C1 ZINC000882590802 591394921 /nfs/dbraw/zinc/39/49/21/591394921.db2.gz YJOOOXDIANPLAO-KYZUINATSA-N -1 3 245.300 0.983 20 0 BCADHM O=C(N[C@@H]1CCC[C@]12CCCO2)c1c[n-]nn1 ZINC000882611079 591399352 /nfs/dbraw/zinc/39/93/52/591399352.db2.gz SVMRYGXCSVPDSR-KOLCDFICSA-N -1 3 236.275 0.636 20 0 BCADHM O=C(N[C@@H]1CCC[C@]12CCCO2)c1cnn[n-]1 ZINC000882611079 591399358 /nfs/dbraw/zinc/39/93/58/591399358.db2.gz SVMRYGXCSVPDSR-KOLCDFICSA-N -1 3 236.275 0.636 20 0 BCADHM O=C(N[C@@H]1CCC[C@]12CCCO2)c1cn[n-]n1 ZINC000882611079 591399361 /nfs/dbraw/zinc/39/93/61/591399361.db2.gz SVMRYGXCSVPDSR-KOLCDFICSA-N -1 3 236.275 0.636 20 0 BCADHM c1[n-][nH]c2ncnc(=NC3CSC3)c1-2 ZINC000882625614 591402714 /nfs/dbraw/zinc/40/27/14/591402714.db2.gz LXCPLTSWVUMNJX-UHFFFAOYSA-N -1 3 207.262 0.254 20 0 BCADHM Cn1[n-]c(=O)c2c1CN(c1cnc(F)cn1)CC2 ZINC000882654452 591407772 /nfs/dbraw/zinc/40/77/72/591407772.db2.gz PDXVZFUKNOZDFF-UHFFFAOYSA-N -1 3 249.249 0.618 20 0 BCADHM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000882697923 591413952 /nfs/dbraw/zinc/41/39/52/591413952.db2.gz HNDQICAZSOEFCE-DTORHVGOSA-N -1 3 245.300 0.983 20 0 BCADHM C[C@@H](CN(C)CCn1ccccc1=O)C(=O)[O-] ZINC000214404135 591558600 /nfs/dbraw/zinc/55/86/00/591558600.db2.gz VVBYFNIKDBWYJY-JTQLQIEISA-N -1 3 238.287 0.501 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CO[C@H](C)C2)[n-]1 ZINC000132969241 591751796 /nfs/dbraw/zinc/75/17/96/591751796.db2.gz PZABVGQTQOVOPI-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CO[C@H](C)C2)n[n-]1 ZINC000132969241 591751799 /nfs/dbraw/zinc/75/17/99/591751799.db2.gz PZABVGQTQOVOPI-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CO[C@H](C)C2)n1 ZINC000132969241 591751801 /nfs/dbraw/zinc/75/18/01/591751801.db2.gz PZABVGQTQOVOPI-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nn(C)cc1C(=O)[N-]c1nocc1C ZINC000883964859 591784190 /nfs/dbraw/zinc/78/41/90/591784190.db2.gz MBYVJDRWPURSLL-UHFFFAOYSA-N -1 3 236.231 0.977 20 0 BCADHM CCCO[N-]C(=O)c1cn(C)nc1OC ZINC000883972154 591786722 /nfs/dbraw/zinc/78/67/22/591786722.db2.gz AEZGFJFZENEXBC-UHFFFAOYSA-N -1 3 213.237 0.500 20 0 BCADHM C[C@H](CO)COC(=O)c1cccc2nn[n-]c21 ZINC000800207928 591838748 /nfs/dbraw/zinc/83/87/48/591838748.db2.gz IXINTLGMZOSJHT-SSDOTTSWSA-N -1 3 235.243 0.743 20 0 BCADHM C[C@H](CO)COC(=O)c1cccc2[n-]nnc21 ZINC000800207928 591838749 /nfs/dbraw/zinc/83/87/49/591838749.db2.gz IXINTLGMZOSJHT-SSDOTTSWSA-N -1 3 235.243 0.743 20 0 BCADHM C[C@H](CO)COC(=O)c1cccc2n[n-]nc21 ZINC000800207928 591838752 /nfs/dbraw/zinc/83/87/52/591838752.db2.gz IXINTLGMZOSJHT-SSDOTTSWSA-N -1 3 235.243 0.743 20 0 BCADHM CC(C)(C)[C@H](N)C(=O)[N-]OCC(F)(F)F ZINC000133874479 591865393 /nfs/dbraw/zinc/86/53/93/591865393.db2.gz FVPDAXVPRRDJLB-RXMQYKEDSA-N -1 3 228.214 0.970 20 0 BCADHM N[C@@H](CC1CC1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000884175328 591866934 /nfs/dbraw/zinc/86/69/34/591866934.db2.gz PRCWHIBSNXTUPW-VHSXEESVSA-N -1 3 228.292 0.688 20 0 BCADHM CC[C@H](C)[C@H](N)C(=O)[N-]OCC(F)(F)F ZINC000134164844 591897918 /nfs/dbraw/zinc/89/79/18/591897918.db2.gz UHDNKEIZLQGTAG-WDSKDSINSA-N -1 3 228.214 0.970 20 0 BCADHM CCc1nccc(NCCCc2c[n-][nH]c2=O)n1 ZINC000884557736 591978297 /nfs/dbraw/zinc/97/82/97/591978297.db2.gz YABODGKGNKZWHK-VIFPVBQESA-N -1 3 247.302 0.963 20 0 BCADHM Oc1[n-]c(N2C[C@@H]3C[C@@H]3C2)nc2nncc1-2 ZINC000884588906 591988664 /nfs/dbraw/zinc/98/86/64/591988664.db2.gz PRFOWFYKEJFTOK-OLQVQODUSA-N -1 3 217.232 0.515 20 0 BCADHM COCCO[N-]C(=O)Cc1c(C)n[nH]c1C ZINC000135146620 591992648 /nfs/dbraw/zinc/99/26/48/591992648.db2.gz UIOLMVOEHJLKEC-UHFFFAOYSA-N -1 3 227.264 0.263 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)CF)c1 ZINC000885410297 592076741 /nfs/dbraw/zinc/07/67/41/592076741.db2.gz JSYKANZVNRZCRO-ZETCQYMHSA-N -1 3 235.284 0.539 20 0 BCADHM CCCN(C)S(=O)(=O)[N-]C(CF)CF ZINC000885416271 592077195 /nfs/dbraw/zinc/07/71/95/592077195.db2.gz BWAMPYCKFZPPMK-UHFFFAOYSA-N -1 3 230.280 0.470 20 0 BCADHM CCN(CC)S(=O)(=O)[N-]C(CF)CF ZINC000885420314 592077605 /nfs/dbraw/zinc/07/76/05/592077605.db2.gz IFLJYXBNODVFMW-UHFFFAOYSA-N -1 3 230.280 0.470 20 0 BCADHM COC/C=C\C(=O)NCc1cncc([O-])c1 ZINC000886271440 592191798 /nfs/dbraw/zinc/19/17/98/592191798.db2.gz JJPKDIAESSXVEJ-IHWYPQMZSA-N -1 3 222.244 0.606 20 0 BCADHM C/C=C\[C@@H](O)C(=O)NCc1cncc([O-])c1 ZINC000886272865 592193140 /nfs/dbraw/zinc/19/31/40/592193140.db2.gz FKHWQAKBMZSSKM-MXQLGCADSA-N -1 3 222.244 0.340 20 0 BCADHM CCn1ncc(C(=O)NCc2cncc([O-])c2)n1 ZINC000886275282 592194516 /nfs/dbraw/zinc/19/45/16/592194516.db2.gz UCDWONISWSCWTF-UHFFFAOYSA-N -1 3 247.258 0.329 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)NCc2cncc([O-])c2)CO1 ZINC000886276853 592196154 /nfs/dbraw/zinc/19/61/54/592196154.db2.gz XKTVFXCRGJXBDZ-PSASIEDQSA-N -1 3 236.271 0.828 20 0 BCADHM O=C(NCc1cncc([O-])c1)C1(O)CCCC1 ZINC000886277711 592196181 /nfs/dbraw/zinc/19/61/81/592196181.db2.gz ACYMWLWPPUHRRC-UHFFFAOYSA-N -1 3 236.271 0.709 20 0 BCADHM COC1(C(=O)NCc2cncc([O-])c2)CCC1 ZINC000886276769 592196721 /nfs/dbraw/zinc/19/67/21/592196721.db2.gz SUIVSBZFKMROJF-UHFFFAOYSA-N -1 3 236.271 0.973 20 0 BCADHM COC(C)(C)C(=O)NCc1cncc([O-])c1 ZINC000886279510 592197618 /nfs/dbraw/zinc/19/76/18/592197618.db2.gz AJUJZYNBEIALIV-UHFFFAOYSA-N -1 3 224.260 0.828 20 0 BCADHM Cc1nn(C)cc1C(=O)NCc1cncc([O-])c1 ZINC000886279704 592197966 /nfs/dbraw/zinc/19/79/66/592197966.db2.gz HUDZBRZECPBBTE-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CC[C@H](OC)C(=O)NCc1cncc([O-])c1 ZINC000886279553 592198002 /nfs/dbraw/zinc/19/80/02/592198002.db2.gz BGJHCNGLMSVHMD-JTQLQIEISA-N -1 3 224.260 0.828 20 0 BCADHM CCO[C@@H]1C[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886281613 592199578 /nfs/dbraw/zinc/19/95/78/592199578.db2.gz DTAZTMCJYVCZQU-WDEREUQCSA-N -1 3 236.271 0.828 20 0 BCADHM COc1ccc(C[N-]C(=O)C(F)F)cn1 ZINC000219709214 592238106 /nfs/dbraw/zinc/23/81/06/592238106.db2.gz GNXJJBYCQDVQKY-UHFFFAOYSA-N -1 3 216.187 0.972 20 0 BCADHM CN(CCO)CCNc1cccc(C(=O)[O-])n1 ZINC000886921032 592395840 /nfs/dbraw/zinc/39/58/40/592395840.db2.gz VBZWKPRUSGDGPP-UHFFFAOYSA-N -1 3 239.275 0.116 20 0 BCADHM C[C@@H](NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000221336178 592416810 /nfs/dbraw/zinc/41/68/10/592416810.db2.gz RBNQDSPZAMQTBJ-UTINFBMNSA-N -1 3 242.319 0.837 20 0 BCADHM C[C@H]1CCC[C@H](C)N1CC(=O)NCCC(=O)[O-] ZINC000140325471 592466170 /nfs/dbraw/zinc/46/61/70/592466170.db2.gz XZORSDOULUFXRP-UWVGGRQHSA-N -1 3 242.319 0.840 20 0 BCADHM O=C(Nc1cncc(F)c1)c1nc[n-]n1 ZINC000300873641 592523832 /nfs/dbraw/zinc/52/38/32/592523832.db2.gz KJYBSXDFQJAQFM-UHFFFAOYSA-N -1 3 207.168 0.591 20 0 BCADHM COC(=O)[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC000888050033 592569067 /nfs/dbraw/zinc/56/90/67/592569067.db2.gz PUOSREFNVLLASG-VIFPVBQESA-N -1 3 235.239 0.780 20 0 BCADHM Cc1ccc(C(=O)N2CC[C@H]2CO)c([O-])c1 ZINC000889146059 592583643 /nfs/dbraw/zinc/58/36/43/592583643.db2.gz PVSTZHDEOMFPEY-VIFPVBQESA-N -1 3 221.256 0.907 20 0 BCADHM Cc1nc(C(=O)[N-]c2nnn(C)n2)c(C)o1 ZINC000889626156 592633534 /nfs/dbraw/zinc/63/35/34/592633534.db2.gz OMABSSAVEHVYTK-UHFFFAOYSA-N -1 3 222.208 0.067 20 0 BCADHM Cn1nnc([N-]C(=O)c2noc3c2CCCC3)n1 ZINC000889631444 592636020 /nfs/dbraw/zinc/63/60/20/592636020.db2.gz QIZCBNXFJPCWTA-UHFFFAOYSA-N -1 3 248.246 0.329 20 0 BCADHM O=C(Nc1ccnn1C1CC1)c1cc(=O)[n-]cn1 ZINC000889682605 592642881 /nfs/dbraw/zinc/64/28/81/592642881.db2.gz ASQYUXQZIMDTFE-UHFFFAOYSA-N -1 3 245.242 0.966 20 0 BCADHM CO[N-]C(=O)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000131624118 592737637 /nfs/dbraw/zinc/73/76/37/592737637.db2.gz OMNAABWGHIZSAY-SNVBAGLBSA-N -1 3 233.271 0.715 20 0 BCADHM O=C([O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000739935840 602670590 /nfs/dbraw/zinc/67/05/90/602670590.db2.gz CCXDJQXGKOKGGB-SFYZADRCSA-N -1 3 200.238 0.117 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cc[nH]c1 ZINC000739607496 597002368 /nfs/dbraw/zinc/00/23/68/597002368.db2.gz VWQAALVUAZAQAL-UHFFFAOYSA-N -1 3 239.275 0.103 20 0 BCADHM CN(CCC(=O)[O-])C(=O)[C@H]1CCCN1C ZINC000082246921 597008834 /nfs/dbraw/zinc/00/88/34/597008834.db2.gz ILFZHLHSVGOJNS-MRVPVSSYSA-N -1 3 214.265 0.014 20 0 BCADHM CN1CCC[C@@H]1CNC(=O)CSCC(=O)[O-] ZINC000225779850 597101857 /nfs/dbraw/zinc/10/18/57/597101857.db2.gz BAIXYNKYRLVJSN-MRVPVSSYSA-N -1 3 246.332 0.015 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N1CCCCCC1 ZINC000033433895 597121447 /nfs/dbraw/zinc/12/14/47/597121447.db2.gz FHTSNPOZAHIRMJ-VIFPVBQESA-N -1 3 228.292 0.452 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CC1(C)C ZINC000230741908 597373381 /nfs/dbraw/zinc/37/33/81/597373381.db2.gz WQODPWOQAPQNBZ-VIFPVBQESA-N -1 3 242.319 0.507 20 0 BCADHM CC(C)N(C)CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000309709197 597499964 /nfs/dbraw/zinc/49/99/64/597499964.db2.gz WMZMLWGHTOPFJM-SECBINFHSA-N -1 3 228.292 0.260 20 0 BCADHM Cc1ncc(CN2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000257657423 597536192 /nfs/dbraw/zinc/53/61/92/597536192.db2.gz IAHGFAMNDDBGGW-SNVBAGLBSA-N -1 3 221.260 0.692 20 0 BCADHM CCN(CCCCC(=O)[O-])CC(=O)NC ZINC000042516272 597770220 /nfs/dbraw/zinc/77/02/20/597770220.db2.gz JIDYFWHINPGCBC-UHFFFAOYSA-N -1 3 216.281 0.309 20 0 BCADHM C[C@@H](C(N)=O)N(C)CCCCC(=O)[O-] ZINC000711095678 597806253 /nfs/dbraw/zinc/80/62/53/597806253.db2.gz PQDXQXNNUDHJCH-ZETCQYMHSA-N -1 3 202.254 0.047 20 0 BCADHM CN(CCO)c1cccc(F)c1-c1nnn[n-]1 ZINC000095294521 598234208 /nfs/dbraw/zinc/23/42/08/598234208.db2.gz YTYIMEVULMYFDR-UHFFFAOYSA-N -1 3 237.238 0.434 20 0 BCADHM CN(CCO)c1cccc(F)c1-c1nn[n-]n1 ZINC000095294521 598234211 /nfs/dbraw/zinc/23/42/11/598234211.db2.gz YTYIMEVULMYFDR-UHFFFAOYSA-N -1 3 237.238 0.434 20 0 BCADHM OC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000095235141 598243550 /nfs/dbraw/zinc/24/35/50/598243550.db2.gz FUPSZSXRAKKBGV-VIFPVBQESA-N -1 3 246.274 0.223 20 0 BCADHM OC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000095235141 598243552 /nfs/dbraw/zinc/24/35/52/598243552.db2.gz FUPSZSXRAKKBGV-VIFPVBQESA-N -1 3 246.274 0.223 20 0 BCADHM CS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000095307304 598289758 /nfs/dbraw/zinc/28/97/58/598289758.db2.gz WVSYKKKYQWSBMZ-UHFFFAOYSA-N -1 3 238.272 0.411 20 0 BCADHM CS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000095307304 598289759 /nfs/dbraw/zinc/28/97/59/598289759.db2.gz WVSYKKKYQWSBMZ-UHFFFAOYSA-N -1 3 238.272 0.411 20 0 BCADHM OC1(CNc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC000095235207 598627995 /nfs/dbraw/zinc/62/79/95/598627995.db2.gz PZMCKYIODGKJFM-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM OC1(CNc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC000095235207 598627998 /nfs/dbraw/zinc/62/79/98/598627998.db2.gz PZMCKYIODGKJFM-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM CCN(CC)CC(=O)N(C)C(C)(C)C(=O)[O-] ZINC000737085282 599848876 /nfs/dbraw/zinc/84/88/76/599848876.db2.gz JETNWKRTNGZUEA-UHFFFAOYSA-N -1 3 230.308 0.650 20 0 BCADHM C[C@H](C(=O)NC1CC1)N1CCC(C(=O)[O-])CC1 ZINC000035083854 599966531 /nfs/dbraw/zinc/96/65/31/599966531.db2.gz ZUXPRXRLFMRDJO-MRVPVSSYSA-N -1 3 240.303 0.450 20 0 BCADHM C[C@H](C(=O)N(C)C)N1CCC(C(=O)[O-])CC1 ZINC000035083902 599966583 /nfs/dbraw/zinc/96/65/83/599966583.db2.gz IJPQJUOJBPQYEP-MRVPVSSYSA-N -1 3 228.292 0.260 20 0 BCADHM O=C([O-])CN1CCN(CCc2ccccn2)CC1 ZINC000037489423 600048033 /nfs/dbraw/zinc/04/80/33/600048033.db2.gz NGGSBGWKSHCNPK-UHFFFAOYSA-N -1 3 249.314 0.326 20 0 BCADHM O=C(CN1CCC[C@@H](C(=O)[O-])C1)NC1CC1 ZINC000032015184 600139560 /nfs/dbraw/zinc/13/95/60/600139560.db2.gz KDSGSTQFTXKFEJ-MRVPVSSYSA-N -1 3 226.276 0.062 20 0 BCADHM CC(C)(O)CN1CCN(CCCC(=O)[O-])CC1 ZINC000071203078 600228332 /nfs/dbraw/zinc/22/83/32/600228332.db2.gz DKBXTIYOEZUDGJ-UHFFFAOYSA-N -1 3 244.335 0.240 20 0 BCADHM Cn1cnnc1CNC1(C(=O)[O-])CCCCC1 ZINC000050422600 600318483 /nfs/dbraw/zinc/31/84/83/600318483.db2.gz SNZBGTYWQKRBSU-UHFFFAOYSA-N -1 3 238.291 0.692 20 0 BCADHM C[C@@H](CN(C)[C@@H](C)C(=O)NC(C)(C)C)C(=O)[O-] ZINC000042706187 600366851 /nfs/dbraw/zinc/36/68/51/600366851.db2.gz MSWMBBUBJRYENC-IUCAKERBSA-N -1 3 244.335 0.942 20 0 BCADHM CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000095131321 607440973 /nfs/dbraw/zinc/44/09/73/607440973.db2.gz ARXDYIFAJTZEIB-UHFFFAOYSA-N -1 3 217.232 0.849 20 0 BCADHM CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095131321 607440976 /nfs/dbraw/zinc/44/09/76/607440976.db2.gz ARXDYIFAJTZEIB-UHFFFAOYSA-N -1 3 217.232 0.849 20 0 BCADHM O=C([O-])c1coc(CN2CC[C@H](CO)C2)c1 ZINC000165896098 600622725 /nfs/dbraw/zinc/62/27/25/600622725.db2.gz CSSKNKABTPWMOE-QMMMGPOBSA-N -1 3 225.244 0.792 20 0 BCADHM C[C@](O)(CN1CCO[C@H]2CCCC[C@H]21)C(=O)[O-] ZINC000251065699 600762068 /nfs/dbraw/zinc/76/20/68/600762068.db2.gz DFMBNLGDZCFCKO-SCVCMEIPSA-N -1 3 243.303 0.465 20 0 BCADHM CCCN(C)CC(=O)N(CC)CC(=O)[O-] ZINC000737007889 600787377 /nfs/dbraw/zinc/78/73/77/600787377.db2.gz PHXUIODUPXUHSV-UHFFFAOYSA-N -1 3 216.281 0.261 20 0 BCADHM Cn1ccc(CNC(C)(C)CC(=O)[O-])n1 ZINC000694020602 600799405 /nfs/dbraw/zinc/79/94/05/600799405.db2.gz LYYKULHATKNHFR-UHFFFAOYSA-N -1 3 211.265 0.763 20 0 BCADHM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@H]1CCCN(C)C1 ZINC000250586844 600872043 /nfs/dbraw/zinc/87/20/43/600872043.db2.gz GTPZGEKJHQBOMO-IVZWLZJFSA-N -1 3 240.303 0.260 20 0 BCADHM C[C@H](O)CN(C)Cc1occc1C(=O)[O-] ZINC000051821590 600978893 /nfs/dbraw/zinc/97/88/93/600978893.db2.gz LGSIQABVKCRPKE-ZETCQYMHSA-N -1 3 213.233 0.790 20 0 BCADHM C/C(=C/CN1CCC(NC(N)=O)CC1)C(=O)[O-] ZINC000702132902 601153094 /nfs/dbraw/zinc/15/30/94/601153094.db2.gz PUFGBVVCKXUNQT-WAPJZHGLSA-N -1 3 241.291 0.150 20 0 BCADHM CC(C)N1CC[C@@H](N(C)C[C@H](C)C(=O)[O-])C1=O ZINC000694725287 601353814 /nfs/dbraw/zinc/35/38/14/601353814.db2.gz PKDJUBOBYFOKOD-VHSXEESVSA-N -1 3 242.319 0.648 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H]1C ZINC000381204685 601538077 /nfs/dbraw/zinc/53/80/77/601538077.db2.gz FXCOHHYZWFWDPO-YUMQZZPRSA-N -1 3 214.265 0.060 20 0 BCADHM O=C([O-])c1ccc(CN(CCO)CCO)cc1 ZINC000040750775 601574865 /nfs/dbraw/zinc/57/48/65/601574865.db2.gz NYGZYWBSAMLSOX-UHFFFAOYSA-N -1 3 239.271 0.171 20 0 BCADHM CCCN(C)CC(=O)NCC(C)(C)C(=O)[O-] ZINC000381148490 601710838 /nfs/dbraw/zinc/71/08/38/601710838.db2.gz OJMBGLMKIOJQHK-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM C/C(=C/CN1CCSC[C@@H]1CCO)C(=O)[O-] ZINC000689293446 601875191 /nfs/dbraw/zinc/87/51/91/601875191.db2.gz FEPRRVSWOAIBHW-XLDBQWFASA-N -1 3 245.344 0.817 20 0 BCADHM C[C@@H](CN(CC(=O)[O-])C1CC1)CS(C)(=O)=O ZINC000705564754 601962759 /nfs/dbraw/zinc/96/27/59/601962759.db2.gz QRIFLVDXUBJWRN-QMMMGPOBSA-N -1 3 249.332 0.216 20 0 BCADHM O=C([O-])c1ccc(CN(CCO)CCO)s1 ZINC000071026389 602016358 /nfs/dbraw/zinc/01/63/58/602016358.db2.gz RNYIDFJILCAGBU-UHFFFAOYSA-N -1 3 245.300 0.233 20 0 BCADHM C[C@@H](NCCNC(=O)[O-])c1cccnc1 ZINC000739036160 602046836 /nfs/dbraw/zinc/04/68/36/602046836.db2.gz QLVJEILSIHYLCC-MRVPVSSYSA-N -1 3 209.249 1.000 20 0 BCADHM CCCNC(=O)CNC[C@@H]1CCCN1C(=O)[O-] ZINC000739361942 602047111 /nfs/dbraw/zinc/04/71/11/602047111.db2.gz LQMDRUQUDFCWRZ-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM O=C([O-])N1CCC[C@H](CNCc2ncc[nH]2)C1 ZINC000740510516 602097321 /nfs/dbraw/zinc/09/73/21/602097321.db2.gz AIMRXSCBJHPMON-SECBINFHSA-N -1 3 238.291 0.889 20 0 BCADHM CCN1CCCN(C(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000829771437 602154620 /nfs/dbraw/zinc/15/46/20/602154620.db2.gz WMQNEOIUFXWTRA-SNVBAGLBSA-N -1 3 242.319 0.651 20 0 BCADHM Cc1nn(C)c(C)c1CNCCN(C)C(=O)[O-] ZINC000740246458 602294491 /nfs/dbraw/zinc/29/44/91/602294491.db2.gz NUPMEMNTXBYQRD-UHFFFAOYSA-N -1 3 240.307 0.736 20 0 BCADHM CCN1CCCC[C@H]1C(=O)NCCNC(=O)[O-] ZINC000739456234 602452900 /nfs/dbraw/zinc/45/29/00/602452900.db2.gz RKPVFBMDXYZQGV-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM O=C([O-])N1CCC[C@H]1CNCc1cncnc1 ZINC000740522056 602594791 /nfs/dbraw/zinc/59/47/91/602594791.db2.gz YKVOFJUKAAIZOJ-JTQLQIEISA-N -1 3 236.275 0.709 20 0 BCADHM O=C([O-])N1CC[C@H](CCNCc2cc[nH]n2)C1 ZINC000740498856 602687501 /nfs/dbraw/zinc/68/75/01/602687501.db2.gz VMFPJHABUMUQFD-VIFPVBQESA-N -1 3 238.291 0.889 20 0 BCADHM O=C([O-])N1CCN(CC2CCOCC2)CC1 ZINC000203887132 602737162 /nfs/dbraw/zinc/73/71/62/602737162.db2.gz OXTQHZDIUUVJMB-UHFFFAOYSA-N -1 3 228.292 0.709 20 0 BCADHM CCn1cc(CN[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739565518 602876339 /nfs/dbraw/zinc/87/63/39/602876339.db2.gz CBNXGLSRYAPOKS-JTQLQIEISA-N -1 3 238.291 0.745 20 0 BCADHM Cc1cc(CN[C@@H]2CCN(C(=O)[O-])C2)[nH]n1 ZINC000740076704 602877700 /nfs/dbraw/zinc/87/77/00/602877700.db2.gz KOTDBYNYJCPCOO-MRVPVSSYSA-N -1 3 224.264 0.560 20 0 BCADHM Cc1cc(CN[C@@H]2CCN(C(=O)[O-])C2)n[nH]1 ZINC000740076704 602877702 /nfs/dbraw/zinc/87/77/02/602877702.db2.gz KOTDBYNYJCPCOO-MRVPVSSYSA-N -1 3 224.264 0.560 20 0 BCADHM Cc1n[nH]c(C)c1CN[C@H]1CCN(C(=O)[O-])C1 ZINC000740202689 602878146 /nfs/dbraw/zinc/87/81/46/602878146.db2.gz GPWLILFYIRMCMO-VIFPVBQESA-N -1 3 238.291 0.868 20 0 BCADHM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@H]1CCCN1C ZINC000738921866 603047188 /nfs/dbraw/zinc/04/71/88/603047188.db2.gz CPSBSTRTWLTGGQ-RKDXNWHRSA-N -1 3 243.307 0.195 20 0 BCADHM C[C@@H](CNC(=O)[O-])N(C)C(=O)[C@@H]1CCCN1C ZINC000738921864 603046938 /nfs/dbraw/zinc/04/69/38/603046938.db2.gz CPSBSTRTWLTGGQ-IUCAKERBSA-N -1 3 243.307 0.195 20 0 BCADHM CCN(CC(=O)NC)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739389783 603346135 /nfs/dbraw/zinc/34/61/35/603346135.db2.gz NYZCAZMCEWWROC-SECBINFHSA-N -1 3 243.307 0.054 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CCOCC2CC2)C1 ZINC000740596855 604367910 /nfs/dbraw/zinc/36/79/10/604367910.db2.gz QRXSCFBCEMCNHW-SNVBAGLBSA-N -1 3 228.292 0.755 20 0 BCADHM Cn1nncc1CN1CCCC[C@H]1C(=O)[O-] ZINC000394940550 604522191 /nfs/dbraw/zinc/52/21/91/604522191.db2.gz FZLHZYBOORLCGL-VIFPVBQESA-N -1 3 224.264 0.254 20 0 BCADHM CN1CCC[C@H]1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000257738607 604583405 /nfs/dbraw/zinc/58/34/05/604583405.db2.gz XPWRQFLXDSXVJP-UWVGGRQHSA-N -1 3 240.303 0.546 20 0 BCADHM C[C@@H]1CN(Cc2cc[nH]n2)C[C@@H]1C(=O)[O-] ZINC000693680661 604670255 /nfs/dbraw/zinc/67/02/55/604670255.db2.gz QAADVUBCCSZYRR-APPZFPTMSA-N -1 3 209.249 0.562 20 0 BCADHM O=C([O-])[C@H]1CN(C[C@@H]2CCCOC2)CCO1 ZINC000226451613 604776007 /nfs/dbraw/zinc/77/60/07/604776007.db2.gz FRLBBEORBXAVPX-VHSXEESVSA-N -1 3 229.276 0.198 20 0 BCADHM CCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833860374 605566714 /nfs/dbraw/zinc/56/67/14/605566714.db2.gz SXHDGWXTTOACRT-DTWKUNHWSA-N -1 3 243.307 0.243 20 0 BCADHM CC(C)OCCN1CC[C@H](NC(=O)[O-])C1 ZINC000738857061 605930753 /nfs/dbraw/zinc/93/07/53/605930753.db2.gz BKFWKLHMNVLEFR-VIFPVBQESA-N -1 3 216.281 0.753 20 0 BCADHM O=C([O-])N[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC000740592941 605934710 /nfs/dbraw/zinc/93/47/10/605934710.db2.gz CZOCEZYRGXIUIH-VHSXEESVSA-N -1 3 228.292 0.897 20 0 BCADHM C[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000820628355 606243886 /nfs/dbraw/zinc/24/38/86/606243886.db2.gz ABYPZYMYOJTLJX-NSHDSACASA-N -1 3 246.274 0.223 20 0 BCADHM C[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000820628355 606243888 /nfs/dbraw/zinc/24/38/88/606243888.db2.gz ABYPZYMYOJTLJX-NSHDSACASA-N -1 3 246.274 0.223 20 0 BCADHM C/C=C\COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000095161462 606381930 /nfs/dbraw/zinc/38/19/30/606381930.db2.gz HWAXPBBTIZQEGA-ARJAWSKDSA-N -1 3 247.258 0.938 20 0 BCADHM C/C=C\COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000095161462 606381931 /nfs/dbraw/zinc/38/19/31/606381931.db2.gz HWAXPBBTIZQEGA-ARJAWSKDSA-N -1 3 247.258 0.938 20 0 BCADHM COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000095190262 606413214 /nfs/dbraw/zinc/41/32/14/606413214.db2.gz RHTSHFPBCMTWPR-UHFFFAOYSA-N -1 3 240.169 0.932 20 0 BCADHM COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000095190262 606413216 /nfs/dbraw/zinc/41/32/16/606413216.db2.gz RHTSHFPBCMTWPR-UHFFFAOYSA-N -1 3 240.169 0.932 20 0 BCADHM OCCN(c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000095176949 606643060 /nfs/dbraw/zinc/64/30/60/606643060.db2.gz IDUWUYXERTXION-UHFFFAOYSA-N -1 3 246.274 0.223 20 0 BCADHM OCCN(c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000095176949 606643061 /nfs/dbraw/zinc/64/30/61/606643061.db2.gz IDUWUYXERTXION-UHFFFAOYSA-N -1 3 246.274 0.223 20 0 BCADHM C[C@@H](CO)N(C)c1ncccc1-c1nnn[n-]1 ZINC000824442467 607837715 /nfs/dbraw/zinc/83/77/15/607837715.db2.gz WEFFDEIFBSYRIJ-ZETCQYMHSA-N -1 3 234.263 0.079 20 0 BCADHM C[C@@H](CO)N(C)c1ncccc1-c1nn[n-]n1 ZINC000824442467 607837716 /nfs/dbraw/zinc/83/77/16/607837716.db2.gz WEFFDEIFBSYRIJ-ZETCQYMHSA-N -1 3 234.263 0.079 20 0 BCADHM C[C@@H](CO)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC000824440950 608123486 /nfs/dbraw/zinc/12/34/86/608123486.db2.gz LRWTYRWFXKTPLI-ZETCQYMHSA-N -1 3 234.263 0.079 20 0 BCADHM C[C@@H](CO)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC000824440950 608123487 /nfs/dbraw/zinc/12/34/87/608123487.db2.gz LRWTYRWFXKTPLI-ZETCQYMHSA-N -1 3 234.263 0.079 20 0 BCADHM C[C@H](CO)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824440303 608259786 /nfs/dbraw/zinc/25/97/86/608259786.db2.gz BYMRWOAFROLUMZ-MRVPVSSYSA-N -1 3 234.259 0.874 20 0 BCADHM C[C@@H](CO)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824440305 608259912 /nfs/dbraw/zinc/25/99/12/608259912.db2.gz BYMRWOAFROLUMZ-QMMMGPOBSA-N -1 3 234.259 0.874 20 0 BCADHM Cc1nc(NCCNc2ccn(C)n2)cc(=O)[n-]1 ZINC000893534440 634577325 /nfs/dbraw/zinc/57/73/25/634577325.db2.gz AFQMYJHGQUBGTH-UHFFFAOYSA-N -1 3 248.290 0.748 20 0 BCADHM Cc1nc(N2CC[C@H](O)[C@@H](C)C2)cc(=O)[n-]1 ZINC000229432615 635470870 /nfs/dbraw/zinc/47/08/70/635470870.db2.gz ZJUQEMYODCENAX-CBAPKCEASA-N -1 3 223.276 0.698 20 0 BCADHM CC[C@@](C)(CN(CCOC)CC(=O)[O-])OC ZINC000319173920 635501592 /nfs/dbraw/zinc/50/15/92/635501592.db2.gz MFLAUFGNFFGBRG-NSHDSACASA-N -1 3 233.308 0.835 20 0 BCADHM CON1CCC(N(C)c2cc(=O)[n-]cn2)CC1 ZINC000894145316 635716745 /nfs/dbraw/zinc/71/67/45/635716745.db2.gz KWEPMISRIQNDKF-UHFFFAOYSA-N -1 3 238.291 0.644 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H](C)OC)[n-]1 ZINC000162071250 632509397 /nfs/dbraw/zinc/50/93/97/632509397.db2.gz YXCKEWDQJPCIIM-RXMQYKEDSA-N -1 3 214.225 0.177 20 0 BCADHM CCOc1nc(NC(=O)[C@@H](C)OC)n[n-]1 ZINC000162071250 632509406 /nfs/dbraw/zinc/50/94/06/632509406.db2.gz YXCKEWDQJPCIIM-RXMQYKEDSA-N -1 3 214.225 0.177 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H](C)OC)n1 ZINC000162071250 632509409 /nfs/dbraw/zinc/50/94/09/632509409.db2.gz YXCKEWDQJPCIIM-RXMQYKEDSA-N -1 3 214.225 0.177 20 0 BCADHM Cc1nc(NC[C@@H](O)C(F)(F)F)cc(=O)[n-]1 ZINC000235791521 632830008 /nfs/dbraw/zinc/83/00/08/632830008.db2.gz HUTDFEAPYYDTRW-RXMQYKEDSA-N -1 3 237.181 0.826 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(C)C2)o1 ZINC000334437143 635861864 /nfs/dbraw/zinc/86/18/64/635861864.db2.gz QVZOLTSYHIBRHR-VIFPVBQESA-N -1 3 244.316 0.570 20 0 BCADHM O=C([O-])c1cnc(N[C@H]2CCN(C3CC3)C2)nc1 ZINC000310692732 632886840 /nfs/dbraw/zinc/88/68/40/632886840.db2.gz OIGZXKMSZLSQAG-VIFPVBQESA-N -1 3 248.286 0.823 20 0 BCADHM Cc1nc(N[C@@H]2CC(=O)N(C)C2)cc(=O)[n-]1 ZINC000309413610 633034210 /nfs/dbraw/zinc/03/42/10/633034210.db2.gz KMPHDVSSYFQGKJ-SSDOTTSWSA-N -1 3 222.248 0.133 20 0 BCADHM CCNC(=O)[C@@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000165238626 633087791 /nfs/dbraw/zinc/08/77/91/633087791.db2.gz ARAWJFIODGUIDN-ZCFIWIBFSA-N -1 3 224.264 0.427 20 0 BCADHM Cc1noc(C)c1CNc1cc(=O)[n-]cn1 ZINC000165862312 633100939 /nfs/dbraw/zinc/10/09/39/633100939.db2.gz QLCJKJSXTCHNKP-UHFFFAOYSA-N -1 3 220.232 0.987 20 0 BCADHM CCCc1nsc([N-][C@H](COC)C(N)=O)n1 ZINC000309481239 633153557 /nfs/dbraw/zinc/15/35/57/633153557.db2.gz TWXHMUIXJGOYDX-ZCFIWIBFSA-N -1 3 244.320 0.403 20 0 BCADHM Cc1nc(N2C[C@H]3COC[C@@]3(C)C2)cc(=O)[n-]1 ZINC000894563591 635911446 /nfs/dbraw/zinc/91/14/46/635911446.db2.gz JCQBNUNKTFQOFR-JOYOIKCWSA-N -1 3 235.287 0.963 20 0 BCADHM Cc1n[nH]cc1C(=O)[N-]NC(=O)C(C)C ZINC000122584975 633788410 /nfs/dbraw/zinc/78/84/10/633788410.db2.gz XTWKSWPBXAYPED-UHFFFAOYSA-N -1 3 210.237 0.135 20 0 BCADHM CCCCNC(=O)[C@H](C)O[N-]C(C)=O ZINC000180803013 633901699 /nfs/dbraw/zinc/90/16/99/633901699.db2.gz LVGFTHCFQBLWBJ-ZETCQYMHSA-N -1 3 202.254 0.359 20 0 BCADHM CCOCCO[N-]C(=O)CN1CCC(C)CC1 ZINC000187155691 634098628 /nfs/dbraw/zinc/09/86/28/634098628.db2.gz YGNPYDABZVPIDA-UHFFFAOYSA-N -1 3 244.335 0.803 20 0 BCADHM O=C(CC1CCOCC1)[N-]OC[C@@H]1CCOC1 ZINC000187843923 634125145 /nfs/dbraw/zinc/12/51/45/634125145.db2.gz SUNZIAKLFDEXLM-LLVKDONJSA-N -1 3 243.303 0.887 20 0 BCADHM Cc1nc(NCCN2CCOCC2)cc(=O)[n-]1 ZINC000162627610 634236739 /nfs/dbraw/zinc/23/67/39/634236739.db2.gz YOSQXSXXTPDMRG-UHFFFAOYSA-N -1 3 238.291 0.235 20 0 BCADHM CC[C@@H](C(=O)N[C@@](C)(C(=O)[O-])C1CC1)N(C)C ZINC000909325911 634304239 /nfs/dbraw/zinc/30/42/39/634304239.db2.gz UKEDSFNXSKBHDL-JOYOIKCWSA-N -1 3 242.319 0.696 20 0 BCADHM CC[C@H](C(=O)N[C@@](C)(C(=O)[O-])C1CC1)N(C)C ZINC000909327205 634313204 /nfs/dbraw/zinc/31/32/04/634313204.db2.gz UKEDSFNXSKBHDL-BXKDBHETSA-N -1 3 242.319 0.696 20 0 BCADHM O=C(N[C@H]1CCCC1(F)F)c1cn[n-]n1 ZINC000398296796 634320677 /nfs/dbraw/zinc/32/06/77/634320677.db2.gz LAJVTTGGUQWUKX-LURJTMIESA-N -1 3 216.191 0.722 20 0 BCADHM CC[C@H](C(=O)[O-])C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000258775321 635195632 /nfs/dbraw/zinc/19/56/32/635195632.db2.gz MNHCEKAEBILZLZ-ZJUUUORDSA-N -1 3 242.319 0.650 20 0 BCADHM O=C(NOCCC(F)(F)F)c1c[n-]nn1 ZINC000314678102 635224389 /nfs/dbraw/zinc/22/43/89/635224389.db2.gz DLVBMWWRJVHMHQ-UHFFFAOYSA-N -1 3 224.142 0.419 20 0 BCADHM O=C(NOCCC(F)(F)F)c1cnn[n-]1 ZINC000314678102 635224392 /nfs/dbraw/zinc/22/43/92/635224392.db2.gz DLVBMWWRJVHMHQ-UHFFFAOYSA-N -1 3 224.142 0.419 20 0 BCADHM O=C(NOCCC(F)(F)F)c1cn[n-]n1 ZINC000314678102 635224397 /nfs/dbraw/zinc/22/43/97/635224397.db2.gz DLVBMWWRJVHMHQ-UHFFFAOYSA-N -1 3 224.142 0.419 20 0 BCADHM C[C@H](CN(C)c1nccs1)c1nnn[n-]1 ZINC000095244205 635438166 /nfs/dbraw/zinc/43/81/66/635438166.db2.gz OPZALDFNGSZWHQ-ZCFIWIBFSA-N -1 3 224.293 0.896 20 0 BCADHM C[C@H](CN(C)c1nccs1)c1nn[n-]n1 ZINC000095244205 635438173 /nfs/dbraw/zinc/43/81/73/635438173.db2.gz OPZALDFNGSZWHQ-ZCFIWIBFSA-N -1 3 224.293 0.896 20 0 BCADHM C[C@]12COC[C@@H]1CN(c1cc(=O)[n-]cn1)C2 ZINC000894563799 635909084 /nfs/dbraw/zinc/90/90/84/635909084.db2.gz LPSSZDPZCXOIQO-KWQFWETISA-N -1 3 221.260 0.655 20 0 BCADHM CC[C@@H](C(=O)N[C@H](CC1CC1)C(=O)[O-])N(C)C ZINC000909470240 636083644 /nfs/dbraw/zinc/08/36/44/636083644.db2.gz WCSXRECXHOWPGD-ZJUUUORDSA-N -1 3 242.319 0.696 20 0 BCADHM O=C([N-]OCc1ccccn1)C1=CCOCC1 ZINC000909542364 636237054 /nfs/dbraw/zinc/23/70/54/636237054.db2.gz VKMXKCYQQPXIRT-UHFFFAOYSA-N -1 3 234.255 0.976 20 0 BCADHM Cc1nc(N2CC[C@@H](O)[C@H](C)C2)cc(=O)[n-]1 ZINC000127131748 636284533 /nfs/dbraw/zinc/28/45/33/636284533.db2.gz ZJUQEMYODCENAX-VXNVDRBHSA-N -1 3 223.276 0.698 20 0 BCADHM CC(C)[C@@H](C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])N(C)C ZINC000909650553 636372606 /nfs/dbraw/zinc/37/26/06/636372606.db2.gz ILIFRYMSUSBFJZ-UTLUCORTSA-N -1 3 244.335 0.798 20 0 BCADHM CC(C)[C@H](C(=O)N[C@H](C)[C@H](C)C(=O)[O-])N(C)C ZINC000909650549 636373054 /nfs/dbraw/zinc/37/30/54/636373054.db2.gz ILIFRYMSUSBFJZ-IVZWLZJFSA-N -1 3 244.335 0.798 20 0 BCADHM CO[C@@H](C)Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351367122 636471710 /nfs/dbraw/zinc/47/17/10/636471710.db2.gz HWCTUYKMYYBXKU-LURJTMIESA-N -1 3 236.231 0.810 20 0 BCADHM CCONC(=O)c1cccc2n[n-]nc21 ZINC000163456229 636740131 /nfs/dbraw/zinc/74/01/31/636740131.db2.gz MRQXIGMXLQPHRI-UHFFFAOYSA-N -1 3 206.205 0.639 20 0 BCADHM COc1nnc(NC(=O)c2ccnc(F)c2)[n-]1 ZINC000179370597 637044622 /nfs/dbraw/zinc/04/46/22/637044622.db2.gz VMXLRTFFZCTXRJ-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COc1nc(NC(=O)c2ccnc(F)c2)n[n-]1 ZINC000179370597 637044626 /nfs/dbraw/zinc/04/46/26/637044626.db2.gz VMXLRTFFZCTXRJ-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccnc(F)c2)n1 ZINC000179370597 637044630 /nfs/dbraw/zinc/04/46/30/637044630.db2.gz VMXLRTFFZCTXRJ-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COCCNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436605508 637400430 /nfs/dbraw/zinc/40/04/30/637400430.db2.gz LEMRYTYGVLSMRW-UHFFFAOYSA-N -1 3 239.227 0.497 20 0 BCADHM C[C@H](O)CN[C@H](C(=O)[O-])c1ccccc1F ZINC000905373635 637790784 /nfs/dbraw/zinc/79/07/84/637790784.db2.gz ANGWGOJFJACATO-XVKPBYJWSA-N -1 3 227.235 0.922 20 0 BCADHM O=C(CC1COC1)[N-]OC/C=C\Cl ZINC000908314957 638635823 /nfs/dbraw/zinc/63/58/23/638635823.db2.gz XPCSHTYJWWQVLK-UPHRSURJSA-N -1 3 205.641 0.823 20 0 BCADHM CN1C[C@@H](O)C[C@@]1(C)C(=O)[N-]OCCC1CC1 ZINC000908384044 638680223 /nfs/dbraw/zinc/68/02/23/638680223.db2.gz OOZMJSFZIKKLTI-JQWIXIFHSA-N -1 3 242.319 0.289 20 0 BCADHM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000908662577 639041028 /nfs/dbraw/zinc/04/10/28/639041028.db2.gz ONSOTKYMIDVRJF-VIFPVBQESA-N -1 3 237.259 0.418 20 0 BCADHM CC[C@@H](C(=O)N(CCC(=O)[O-])C1CC1)N(C)C ZINC000908871508 639082688 /nfs/dbraw/zinc/08/26/88/639082688.db2.gz RZVSQDSYUCJMEN-JTQLQIEISA-N -1 3 242.319 0.792 20 0 BCADHM CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000908986498 639114970 /nfs/dbraw/zinc/11/49/70/639114970.db2.gz DHNXEBPVHJIOPR-UWVGGRQHSA-N -1 3 242.319 0.791 20 0 BCADHM C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)C(=O)[O-] ZINC000909154324 639158790 /nfs/dbraw/zinc/15/87/90/639158790.db2.gz JTHYDFWMORKLCE-ZETCQYMHSA-N -1 3 225.248 0.131 20 0 BCADHM C[C@H]1C[C@H]1C(=O)COC(=O)c1cnn[n-]1 ZINC000909310827 639203902 /nfs/dbraw/zinc/20/39/02/639203902.db2.gz DKQXDUCEOWADBN-NTSWFWBYSA-N -1 3 209.205 0.187 20 0 BCADHM C[C@H]1C[C@H]1C(=O)COC(=O)c1c[n-]nn1 ZINC000909310827 639203907 /nfs/dbraw/zinc/20/39/07/639203907.db2.gz DKQXDUCEOWADBN-NTSWFWBYSA-N -1 3 209.205 0.187 20 0 BCADHM CCC[C@H](CNC(=O)CN(C)CCC)C(=O)[O-] ZINC000909813202 639229167 /nfs/dbraw/zinc/22/91/67/639229167.db2.gz IOWXELZOZVVLJF-SNVBAGLBSA-N -1 3 244.335 0.945 20 0 BCADHM C[C@H](CN(C)c1ccncc1CO)C(=O)[O-] ZINC000910309220 639408129 /nfs/dbraw/zinc/40/81/29/639408129.db2.gz NSVTXNZRTNEUPE-MRVPVSSYSA-N -1 3 224.260 0.731 20 0 BCADHM C[C@]1(C(=O)[O-])CCN(c2ccncc2CO)C1 ZINC000910311953 639410277 /nfs/dbraw/zinc/41/02/77/639410277.db2.gz DQSFSCQPEBYMKZ-LBPRGKRZSA-N -1 3 236.271 0.875 20 0 BCADHM CCN(CC)CC(=O)NCC(C)(C)CC(=O)[O-] ZINC000910830810 639515603 /nfs/dbraw/zinc/51/56/03/639515603.db2.gz QQEWEYDQXYXKBB-UHFFFAOYSA-N -1 3 244.335 0.945 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000910985597 639557626 /nfs/dbraw/zinc/55/76/26/639557626.db2.gz AOBZVIVVSXXSAM-AEJSXWLSSA-N -1 3 242.319 0.552 20 0 BCADHM CN(C)CCN(C)C(=O)C1(C(=O)[O-])CCCC1 ZINC000911151435 639586400 /nfs/dbraw/zinc/58/64/00/639586400.db2.gz KMZPHXAWLDPLMJ-UHFFFAOYSA-N -1 3 242.319 0.651 20 0 BCADHM CC(C)[C@@H](C(=O)[O-])C(=O)N(C)CCN(C)C ZINC000911150904 639587889 /nfs/dbraw/zinc/58/78/89/639587889.db2.gz FMMWIKIDNMHUME-SECBINFHSA-N -1 3 230.308 0.363 20 0 BCADHM CC[C@H](CO)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000930499072 639784883 /nfs/dbraw/zinc/78/48/83/639784883.db2.gz UKKXYJCYMNEVKU-DTWKUNHWSA-N -1 3 240.307 0.461 20 0 BCADHM COCC1CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000911967005 639911637 /nfs/dbraw/zinc/91/16/37/639911637.db2.gz ZXCGAHOYULOLBY-UHFFFAOYSA-N -1 3 237.255 0.816 20 0 BCADHM C/C(Cl)=C\C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471988 640089789 /nfs/dbraw/zinc/08/97/89/640089789.db2.gz ZXEKNQOTYTWAHN-WVXIBAHESA-N -1 3 243.694 0.757 20 0 BCADHM COC[C@H](C)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931311955 640140339 /nfs/dbraw/zinc/14/03/39/640140339.db2.gz OXEOPZJLHLKFIP-ZETCQYMHSA-N -1 3 223.276 0.841 20 0 BCADHM CC[C@H](O)CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931314178 640149232 /nfs/dbraw/zinc/14/92/32/640149232.db2.gz YAINOZFIVUOGOP-QMMMGPOBSA-N -1 3 223.276 0.577 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cc[nH]n1)C2 ZINC000931314166 640149651 /nfs/dbraw/zinc/14/96/51/640149651.db2.gz XHIKYRFVJRYDNQ-UHFFFAOYSA-N -1 3 231.259 0.730 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ncccn1)C2 ZINC000931314231 640152852 /nfs/dbraw/zinc/15/28/52/640152852.db2.gz YZAVMKMVABDSJW-UHFFFAOYSA-N -1 3 243.270 0.796 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ncc[nH]1)C2 ZINC000931318582 640154448 /nfs/dbraw/zinc/15/44/48/640154448.db2.gz NOWQAKLNZVHDQF-UHFFFAOYSA-N -1 3 231.259 0.730 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCF)C2 ZINC000913295691 640349108 /nfs/dbraw/zinc/34/91/08/640349108.db2.gz VERPOUPKPSJGGR-UHFFFAOYSA-N -1 3 225.223 0.692 20 0 BCADHM C/C=C/[C@H](O)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000913294840 640349471 /nfs/dbraw/zinc/34/94/71/640349471.db2.gz PHGMPLARHSUNJH-FSIBCCDJSA-N -1 3 249.270 0.270 20 0 BCADHM C/C=C\[C@@H](O)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000913294843 640350046 /nfs/dbraw/zinc/35/00/46/640350046.db2.gz PHGMPLARHSUNJH-UMBAGQNISA-N -1 3 249.270 0.270 20 0 BCADHM COCCO[N-]C(=O)CC[C@H](C)OC ZINC000164098303 640443226 /nfs/dbraw/zinc/44/32/26/640443226.db2.gz QLKUHYVJDNBDQE-QMMMGPOBSA-N -1 3 205.254 0.496 20 0 BCADHM O=C([O-])c1ccc(N[C@@H]2CCN(C3CC3)C2)nn1 ZINC000044679336 640452376 /nfs/dbraw/zinc/45/23/76/640452376.db2.gz KMRXKQBOZHMVEY-MRVPVSSYSA-N -1 3 248.286 0.823 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)Nc1nnn(C)n1 ZINC000932259316 640460710 /nfs/dbraw/zinc/46/07/10/640460710.db2.gz ZAWCUADKGJGOKN-ZCFIWIBFSA-N -1 3 228.256 0.309 20 0 BCADHM O=c1cc(NCCOCC(F)(F)F)nc[n-]1 ZINC000165263525 640553193 /nfs/dbraw/zinc/55/31/93/640553193.db2.gz QZSRNEDVKMTXHV-UHFFFAOYSA-N -1 3 237.181 0.761 20 0 BCADHM O=c1cc(NCC2(CO)CCCC2)nc[n-]1 ZINC000165314942 640555741 /nfs/dbraw/zinc/55/57/41/640555741.db2.gz MCHIZYXWGJQAML-UHFFFAOYSA-N -1 3 223.276 0.735 20 0 BCADHM CC(C)C[C@@H](O)CNc1cc(=O)[n-]cn1 ZINC000226132620 640734250 /nfs/dbraw/zinc/73/42/50/640734250.db2.gz UOXPGLHHNFYKAT-MRVPVSSYSA-N -1 3 211.265 0.589 20 0 BCADHM CC1(C)[C@H](O)C[C@@H]1Nc1cc(=O)[n-]cn1 ZINC000168302571 640799493 /nfs/dbraw/zinc/79/94/93/640799493.db2.gz QSHPVZMHVSAHFH-NKWVEPMBSA-N -1 3 209.249 0.341 20 0 BCADHM CC[C@@H](CO)NC(=O)c1c([O-])cccc1OC ZINC000170248448 640893885 /nfs/dbraw/zinc/89/38/85/640893885.db2.gz QMAANXCDDWAQPX-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM CCn1cnnc1CNc1cc(=O)[n-]c(C)n1 ZINC000230757338 641098774 /nfs/dbraw/zinc/09/87/74/641098774.db2.gz KRUITKTUYNKIIG-UHFFFAOYSA-N -1 3 234.263 0.714 20 0 BCADHM C[C@H](Cc1cccnc1)NCc1n[nH]c(=O)[n-]1 ZINC000934233441 641109320 /nfs/dbraw/zinc/10/93/20/641109320.db2.gz JMQYLIVRAOSPLW-MRVPVSSYSA-N -1 3 233.275 0.626 20 0 BCADHM COc1nnc(NC(=O)CC2(C)COC2)[n-]1 ZINC000935192679 641360532 /nfs/dbraw/zinc/36/05/32/641360532.db2.gz GOIZOLBADYNOMH-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM COc1nc(NC(=O)CC2(C)COC2)n[n-]1 ZINC000935192679 641360535 /nfs/dbraw/zinc/36/05/35/641360535.db2.gz GOIZOLBADYNOMH-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM COc1n[n-]c(NC(=O)CC2(C)COC2)n1 ZINC000935192679 641360538 /nfs/dbraw/zinc/36/05/38/641360538.db2.gz GOIZOLBADYNOMH-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM CC1=C(C(=O)[N-]OCCO)CCN1C(C)C ZINC000935456995 641410647 /nfs/dbraw/zinc/41/06/47/641410647.db2.gz SHBYNVMHXJIRQR-UHFFFAOYSA-N -1 3 228.292 0.415 20 0 BCADHM O=C(C[C@H]1CC[C@H](C2CC2)O1)[N-]OCCO ZINC000935457483 641412233 /nfs/dbraw/zinc/41/22/33/641412233.db2.gz XNWBGHWQKDPASE-NXEZZACHSA-N -1 3 229.276 0.374 20 0 BCADHM Cn1cnc(/C=C\C(=O)[N-]OCC(C)(C)O)c1 ZINC000935690565 641460948 /nfs/dbraw/zinc/46/09/48/641460948.db2.gz RTMGHELRYVPXTB-PLNGDYQASA-N -1 3 239.275 0.252 20 0 BCADHM O=C(Nc1ccnn1CC1CC1)c1cnn[n-]1 ZINC000160052571 641712164 /nfs/dbraw/zinc/71/21/64/641712164.db2.gz GIPQXVLQFXQUNU-UHFFFAOYSA-N -1 3 232.247 0.664 20 0 BCADHM O=C(Nc1ccnn1CC1CC1)c1c[n-]nn1 ZINC000160052571 641712167 /nfs/dbraw/zinc/71/21/67/641712167.db2.gz GIPQXVLQFXQUNU-UHFFFAOYSA-N -1 3 232.247 0.664 20 0 BCADHM O=C(Nc1ccnn1CC1CC1)c1cn[n-]n1 ZINC000160052571 641712170 /nfs/dbraw/zinc/71/21/70/641712170.db2.gz GIPQXVLQFXQUNU-UHFFFAOYSA-N -1 3 232.247 0.664 20 0 BCADHM CC[C@@](C)(CN1CCOC[C@@H]1CC(=O)[O-])OC ZINC000319811545 641881217 /nfs/dbraw/zinc/88/12/17/641881217.db2.gz HLNISVIIADFHRE-JQWIXIFHSA-N -1 3 245.319 0.977 20 0 BCADHM CC1=NO[C@H](CSCCc2nnn[n-]2)C1 ZINC000917858541 642134929 /nfs/dbraw/zinc/13/49/29/642134929.db2.gz HJECTTNYIGWOAI-ZETCQYMHSA-N -1 3 227.293 0.640 20 0 BCADHM CC1=NO[C@H](CSCCc2nn[n-]n2)C1 ZINC000917858541 642134932 /nfs/dbraw/zinc/13/49/32/642134932.db2.gz HJECTTNYIGWOAI-ZETCQYMHSA-N -1 3 227.293 0.640 20 0 BCADHM C[C@](O)(CSCCc1nnn[n-]1)C(F)F ZINC000917858696 642135134 /nfs/dbraw/zinc/13/51/34/642135134.db2.gz JFUJKSONPCFHEG-ZETCQYMHSA-N -1 3 238.263 0.492 20 0 BCADHM C[C@](O)(CSCCc1nn[n-]n1)C(F)F ZINC000917858696 642135146 /nfs/dbraw/zinc/13/51/46/642135146.db2.gz JFUJKSONPCFHEG-ZETCQYMHSA-N -1 3 238.263 0.492 20 0 BCADHM O=C([N-]c1nc2n(n1)CCCC2)c1ncccn1 ZINC000891385528 642434645 /nfs/dbraw/zinc/43/46/45/642434645.db2.gz AOESNYHFZDSPMX-UHFFFAOYSA-N -1 3 244.258 0.657 20 0 BCADHM CSCC(C)(C)C(=O)[N-]OCCO ZINC000308200483 642502403 /nfs/dbraw/zinc/50/24/03/642502403.db2.gz XSVWYDGQHPRWBQ-UHFFFAOYSA-N -1 3 207.295 0.416 20 0 BCADHM Cc1nc(C)c(CC(=O)N2CC[C@@H]2C)c(=O)[n-]1 ZINC000920465778 642504276 /nfs/dbraw/zinc/50/42/76/642504276.db2.gz YSXIDECJURZZQE-ZETCQYMHSA-N -1 3 235.287 0.962 20 0 BCADHM CCOc1n[n-]c(NC(=O)C(F)F)n1 ZINC000233810225 642701821 /nfs/dbraw/zinc/70/18/21/642701821.db2.gz AECLMGXGSGTEBO-UHFFFAOYSA-N -1 3 206.152 0.407 20 0 BCADHM CCOc1nnc(NC(=O)C(F)F)[n-]1 ZINC000233810225 642701815 /nfs/dbraw/zinc/70/18/15/642701815.db2.gz AECLMGXGSGTEBO-UHFFFAOYSA-N -1 3 206.152 0.407 20 0 BCADHM CCOc1nc(NC(=O)C(F)F)n[n-]1 ZINC000233810225 642701819 /nfs/dbraw/zinc/70/18/19/642701819.db2.gz AECLMGXGSGTEBO-UHFFFAOYSA-N -1 3 206.152 0.407 20 0 BCADHM C[C@H]1COC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000921497049 642859273 /nfs/dbraw/zinc/85/92/73/642859273.db2.gz GDNZXDGZTSYFGL-JGVFFNPUSA-N -1 3 231.273 0.593 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H]2COC[C@@H]2C)o1 ZINC000921497683 642875916 /nfs/dbraw/zinc/87/59/16/642875916.db2.gz RUHROUHYUYUVMB-CBAPKCEASA-N -1 3 245.300 0.901 20 0 BCADHM Cc1n[nH]cc1C(=O)[N-]NC(=O)C1CCCC1 ZINC000063779118 643104756 /nfs/dbraw/zinc/10/47/56/643104756.db2.gz KZXYWSMBTRVAPT-UHFFFAOYSA-N -1 3 236.275 0.669 20 0 BCADHM CCOCCO[N-]C(=O)CC[C@@H]1CCOC1 ZINC000184776272 643234993 /nfs/dbraw/zinc/23/49/93/643234993.db2.gz JYLMGEVVFNHXTG-SNVBAGLBSA-N -1 3 231.292 0.887 20 0 BCADHM C[C@H](OCC1CC1)C(=O)NN=c1cccn[n-]1 ZINC000077031731 643264305 /nfs/dbraw/zinc/26/43/05/643264305.db2.gz NYQGPZJZIDPYQV-QMMMGPOBSA-N -1 3 236.275 0.735 20 0 BCADHM Cc1ccc(N)cc1NC(=O)c1cnn[n-]1 ZINC000082265197 643289148 /nfs/dbraw/zinc/28/91/48/643289148.db2.gz GSADGRWMOSBZCH-UHFFFAOYSA-N -1 3 217.232 0.948 20 0 BCADHM Cc1ccc(N)cc1NC(=O)c1c[n-]nn1 ZINC000082265197 643289157 /nfs/dbraw/zinc/28/91/57/643289157.db2.gz GSADGRWMOSBZCH-UHFFFAOYSA-N -1 3 217.232 0.948 20 0 BCADHM Cc1ccc(N)cc1NC(=O)c1cn[n-]n1 ZINC000082265197 643289164 /nfs/dbraw/zinc/28/91/64/643289164.db2.gz GSADGRWMOSBZCH-UHFFFAOYSA-N -1 3 217.232 0.948 20 0 BCADHM CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000082277861 643291031 /nfs/dbraw/zinc/29/10/31/643291031.db2.gz YMLLLLOZLVTXME-ZCFIWIBFSA-N -1 3 210.199 0.759 20 0 BCADHM NC(=O)C1(NC(=O)c2ccccc2[O-])CCCC1 ZINC000733761734 643470901 /nfs/dbraw/zinc/47/09/01/643470901.db2.gz FSRJDRJRUQIQAH-UHFFFAOYSA-N -1 3 248.282 0.920 20 0 BCADHM CN1CC[C@@H](OC(=O)c2ccc([O-])cc2)C1=O ZINC000734883729 643511825 /nfs/dbraw/zinc/51/18/25/643511825.db2.gz PGIRQDHLAVKALI-SNVBAGLBSA-N -1 3 235.239 0.780 20 0 BCADHM CCN1CC[C@@H]1CNC(=O)c1ncc(C)cc1[O-] ZINC000922157121 643876364 /nfs/dbraw/zinc/87/63/64/643876364.db2.gz BCRPYVFORMNAFF-SNVBAGLBSA-N -1 3 249.314 0.920 20 0 BCADHM CCN1CC[C@H]1CNC(=O)c1ncc(C)cc1[O-] ZINC000922157120 643876898 /nfs/dbraw/zinc/87/68/98/643876898.db2.gz BCRPYVFORMNAFF-JTQLQIEISA-N -1 3 249.314 0.920 20 0 BCADHM COC[C@H](COC(=O)c1cnn[n-]1)C(C)C ZINC000922731441 644080972 /nfs/dbraw/zinc/08/09/72/644080972.db2.gz ODCKBZILOAUWJW-MRVPVSSYSA-N -1 3 227.264 0.880 20 0 BCADHM COC[C@H](COC(=O)c1c[n-]nn1)C(C)C ZINC000922731441 644080974 /nfs/dbraw/zinc/08/09/74/644080974.db2.gz ODCKBZILOAUWJW-MRVPVSSYSA-N -1 3 227.264 0.880 20 0 BCADHM CCc1ncc(CNCC(=O)[N-]OC)s1 ZINC000922829709 644101631 /nfs/dbraw/zinc/10/16/31/644101631.db2.gz KBLIQTITEZBJCO-UHFFFAOYSA-N -1 3 229.305 0.473 20 0 BCADHM CO[N-]C(=O)CNCc1ccc(C(F)F)nc1 ZINC000922827215 644103026 /nfs/dbraw/zinc/10/30/26/644103026.db2.gz BBGXZOPNBASXGC-UHFFFAOYSA-N -1 3 245.229 0.786 20 0 BCADHM CO[N-]C(=O)CNCc1cccc(C)c1F ZINC000922828438 644104635 /nfs/dbraw/zinc/10/46/35/644104635.db2.gz WAILAGDNIJULSB-UHFFFAOYSA-N -1 3 226.251 0.901 20 0 BCADHM CO[N-]C(=O)CNCc1cnc(Cl)c(C)c1 ZINC000922828961 644106058 /nfs/dbraw/zinc/10/60/58/644106058.db2.gz CMMRNENJAILFHX-UHFFFAOYSA-N -1 3 243.694 0.811 20 0 BCADHM CO[N-]C(=O)CNCc1c(C)noc1C ZINC000922830236 644114856 /nfs/dbraw/zinc/11/48/56/644114856.db2.gz PNKILJYEMUUVLZ-UHFFFAOYSA-N -1 3 213.237 0.059 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(C)CC2)n1 ZINC000192535976 644160627 /nfs/dbraw/zinc/16/06/27/644160627.db2.gz NGJGRBATWNECBI-JTQLQIEISA-N -1 3 236.319 0.799 20 0 BCADHM Cn1ccc(CNC(=O)NN=c2cccn[n-]2)c1 ZINC000081508835 644326866 /nfs/dbraw/zinc/32/68/66/644326866.db2.gz JMFVAIHDVJPGTA-UHFFFAOYSA-N -1 3 246.274 0.641 20 0 BCADHM C[N-]S(=O)(=O)c1cc(C(=O)NC)ccc1F ZINC000084180446 644421013 /nfs/dbraw/zinc/42/10/13/644421013.db2.gz KMWUGSOLEIZZLQ-UHFFFAOYSA-N -1 3 246.263 0.093 20 0 BCADHM CC(=O)[N-]OCC(=O)N(C)[C@@H](C)CC(C)C ZINC000084489682 644426654 /nfs/dbraw/zinc/42/66/54/644426654.db2.gz NAABTCRQNBZQSA-VIFPVBQESA-N -1 3 230.308 0.947 20 0 BCADHM NC(=O)CO[N-]C(=O)CCCc1cccs1 ZINC000089462374 644551205 /nfs/dbraw/zinc/55/12/05/644551205.db2.gz AXWZPNQZZCLEHS-UHFFFAOYSA-N -1 3 242.300 0.604 20 0 BCADHM Cc1cccc(CC(=O)[N-]OCC(N)=O)c1 ZINC000089463559 644552895 /nfs/dbraw/zinc/55/28/95/644552895.db2.gz GEEQOVCLRXNZPC-UHFFFAOYSA-N -1 3 222.244 0.071 20 0 BCADHM CC(C)=C[C@H]1[C@H](C(=O)[N-]OCC(N)=O)C1(C)C ZINC000089464421 644553333 /nfs/dbraw/zinc/55/33/33/644553333.db2.gz CCGXOBFTHNYADF-WCBMZHEXSA-N -1 3 240.303 0.758 20 0 BCADHM C[S@@](=O)CCNC(=O)c1c([O-])cccc1O ZINC000092121308 644647038 /nfs/dbraw/zinc/64/70/38/644647038.db2.gz RNMOKAUUFLUBBR-INIZCTEOSA-N -1 3 243.284 0.206 20 0 BCADHM C[C@H](O)COC(=O)c1cccc2nn[n-]c21 ZINC000792158745 644792243 /nfs/dbraw/zinc/79/22/43/644792243.db2.gz CEFCUNPABBKZHF-LURJTMIESA-N -1 3 221.216 0.496 20 0 BCADHM C[C@H](O)COC(=O)c1cccc2[n-]nnc21 ZINC000792158745 644792245 /nfs/dbraw/zinc/79/22/45/644792245.db2.gz CEFCUNPABBKZHF-LURJTMIESA-N -1 3 221.216 0.496 20 0 BCADHM C[C@H](O)COC(=O)c1cccc2n[n-]nc21 ZINC000792158745 644792246 /nfs/dbraw/zinc/79/22/46/644792246.db2.gz CEFCUNPABBKZHF-LURJTMIESA-N -1 3 221.216 0.496 20 0 BCADHM Cn1nncc1COC(=O)c1ccc([O-])cc1 ZINC000811033112 644909689 /nfs/dbraw/zinc/90/96/89/644909689.db2.gz SXWNCZYCMWBLAO-UHFFFAOYSA-N -1 3 233.227 0.878 20 0 BCADHM NC(=O)[C@H](c1ccccc1)N1CC[C@@H](C(=O)[O-])C1 ZINC000819111487 645004724 /nfs/dbraw/zinc/00/47/24/645004724.db2.gz WEJAJZOTDNMHIP-MNOVXSKESA-N -1 3 248.282 0.620 20 0 BCADHM NC(=O)[C@@H](c1ccccc1)N1CC[C@H](C(=O)[O-])C1 ZINC000819111490 645004883 /nfs/dbraw/zinc/00/48/83/645004883.db2.gz WEJAJZOTDNMHIP-WDEREUQCSA-N -1 3 248.282 0.620 20 0 BCADHM NC(=O)[C@H](c1ccccc1)N1CC[C@H](C(=O)[O-])C1 ZINC000819111489 645004948 /nfs/dbraw/zinc/00/49/48/645004948.db2.gz WEJAJZOTDNMHIP-QWRGUYRKSA-N -1 3 248.282 0.620 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]c1cccnc1F ZINC000842824925 645251752 /nfs/dbraw/zinc/25/17/52/645251752.db2.gz STPUDRDOQVVRKH-SSDOTTSWSA-N -1 3 248.279 0.997 20 0 BCADHM CC1=NO[C@H](C[N-]S(=O)(=O)c2ccco2)C1 ZINC000867349605 645317486 /nfs/dbraw/zinc/31/74/86/645317486.db2.gz YLBFNWXFPHRVAX-QMMMGPOBSA-N -1 3 244.272 0.723 20 0 BCADHM O=C(C[C@H]1CCC(=O)NC1)[N-]OC1CCCC1 ZINC000857480759 645573521 /nfs/dbraw/zinc/57/35/21/645573521.db2.gz OHYYOKDALRTPPG-SECBINFHSA-N -1 3 240.303 0.893 20 0 BCADHM O=C(C[C@@H]1CCC(=O)NC1)[N-]OC1CCCC1 ZINC000857480760 645574686 /nfs/dbraw/zinc/57/46/86/645574686.db2.gz OHYYOKDALRTPPG-VIFPVBQESA-N -1 3 240.303 0.893 20 0 BCADHM CC[C@@H](O)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000857493664 645576646 /nfs/dbraw/zinc/57/66/46/645576646.db2.gz HUYIBIMSPJKOFK-RKDXNWHRSA-N -1 3 217.265 0.232 20 0 BCADHM O=C(CC1(O)CCC1)[N-]OCC(F)F ZINC000857485727 645577712 /nfs/dbraw/zinc/57/77/12/645577712.db2.gz SAWAYTYEYAVXBE-UHFFFAOYSA-N -1 3 209.192 0.604 20 0 BCADHM Cn1ncc(CCC(=O)[N-]OCC2CC2)n1 ZINC000857513154 645582636 /nfs/dbraw/zinc/58/26/36/645582636.db2.gz XCSCQXQBCQMMLH-UHFFFAOYSA-N -1 3 224.264 0.206 20 0 BCADHM CC(C)O[N-]C(=O)CCc1ccncn1 ZINC000857522967 645591061 /nfs/dbraw/zinc/59/10/61/645591061.db2.gz UGTCNEXOIPHTOP-UHFFFAOYSA-N -1 3 209.249 0.865 20 0 BCADHM CCOC(=O)[C@H](COC)[N-]C(=O)C(C)(F)F ZINC000928303759 645723275 /nfs/dbraw/zinc/72/32/75/645723275.db2.gz VBMZVVVKLUQKBW-LURJTMIESA-N -1 3 239.218 0.336 20 0 BCADHM O=C(c1cc([O-])ccc1Cl)N1CCOCN1 ZINC000928950622 645908008 /nfs/dbraw/zinc/90/80/08/645908008.db2.gz ZZPSBIUVGMQCHJ-UHFFFAOYSA-N -1 3 242.662 0.980 20 0 BCADHM C[C@H](c1nc(-c2cc(=O)[n-]cn2)no1)N(C)C ZINC000924107926 645980983 /nfs/dbraw/zinc/98/09/83/645980983.db2.gz CDSHAEJXSZFHFZ-ZCFIWIBFSA-N -1 3 235.247 0.855 20 0 BCADHM CC[S@](C)(=O)=NC(=O)c1cc(=O)[n-]cn1 ZINC000925864477 646517183 /nfs/dbraw/zinc/51/71/83/646517183.db2.gz JMNPWNJFBLRBPI-HNNXBMFYSA-N -1 3 229.261 0.440 20 0 BCADHM Cc1nc(NCCn2ccnc2)cc(=O)[n-]1 ZINC000165214407 711825827 /nfs/dbraw/zinc/82/58/27/711825827.db2.gz QVZYQSIRFLRDLB-UHFFFAOYSA-N -1 3 219.248 0.799 20 0 BCADHM Cc1nc(NC[C@@]2(O)CCSC2)cc(=O)[n-]1 ZINC000705251245 712126024 /nfs/dbraw/zinc/12/60/24/712126024.db2.gz ALDHJHJPYKOENE-JTQLQIEISA-N -1 3 241.316 0.771 20 0 BCADHM COC(=O)CCN(C/C=C\Cl)CC(=O)[O-] ZINC000715762405 712531867 /nfs/dbraw/zinc/53/18/67/712531867.db2.gz KISAFRAINCDIPJ-RQOWECAXSA-N -1 3 235.667 0.689 20 0 BCADHM O=c1cc(N[C@H](CO)C2CCC2)nc[n-]1 ZINC000717586041 712661340 /nfs/dbraw/zinc/66/13/40/712661340.db2.gz KBYSYDRTILPPNV-MRVPVSSYSA-N -1 3 209.249 0.755 20 0 BCADHM C[S@](=O)C1(CNc2cc(=O)[n-]cn2)CC1 ZINC000380068722 712685001 /nfs/dbraw/zinc/68/50/01/712685001.db2.gz JZSREIZMXRAAAY-HNNXBMFYSA-N -1 3 227.289 0.505 20 0 BCADHM Cc1nc(N2C[C@H](O)C[C@@H]2C)cc(=O)[n-]1 ZINC000385113583 711005444 /nfs/dbraw/zinc/00/54/44/711005444.db2.gz WMBPEHRUEZPQIX-POYBYMJQSA-N -1 3 209.249 0.450 20 0 BCADHM Cc1nc(N2C[C@@H](O)C[C@H]2C)cc(=O)[n-]1 ZINC000385113584 711005804 /nfs/dbraw/zinc/00/58/04/711005804.db2.gz WMBPEHRUEZPQIX-SVRRBLITSA-N -1 3 209.249 0.450 20 0 BCADHM CSCCCOC(=O)c1cnn[n-]1 ZINC000388230676 711054756 /nfs/dbraw/zinc/05/47/56/711054756.db2.gz MFAQDQRPWPYYBP-UHFFFAOYSA-N -1 3 201.251 0.715 20 0 BCADHM CSCCCOC(=O)c1c[n-]nn1 ZINC000388230676 711054758 /nfs/dbraw/zinc/05/47/58/711054758.db2.gz MFAQDQRPWPYYBP-UHFFFAOYSA-N -1 3 201.251 0.715 20 0 BCADHM Cn1ncc(CNC(=O)c2ccc(O)cc2[O-])n1 ZINC000389946637 711099783 /nfs/dbraw/zinc/09/97/83/711099783.db2.gz QWIZWUYLKMMTSO-UHFFFAOYSA-N -1 3 248.242 0.156 20 0 BCADHM Cc1ccc(C(=O)NCc2cnn(C)n2)c([O-])c1 ZINC000389965854 711100539 /nfs/dbraw/zinc/10/05/39/711100539.db2.gz XLWQTIDNQUTNED-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CCN1C[C@H](Nc2cc(=O)[n-]c(C)n2)CC1=O ZINC000391514652 711138976 /nfs/dbraw/zinc/13/89/76/711138976.db2.gz PUFNODHDPPVINJ-MRVPVSSYSA-N -1 3 236.275 0.523 20 0 BCADHM CC[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CCCOC1 ZINC000723872618 711540790 /nfs/dbraw/zinc/54/07/90/711540790.db2.gz ZJLVJSLRIFHOGD-RKDXNWHRSA-N -1 3 238.291 0.740 20 0 BCADHM CC(=O)[N-]OCC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000084489697 711573567 /nfs/dbraw/zinc/57/35/67/711573567.db2.gz WFQNFQSJTWVDMQ-QMMMGPOBSA-N -1 3 240.303 0.844 20 0 BCADHM CC(=O)[N-]OCC(=O)N(C1CC1)C1CCCC1 ZINC000178193679 711676469 /nfs/dbraw/zinc/67/64/69/711676469.db2.gz XOTWKMVIHPDOEW-UHFFFAOYSA-N -1 3 240.303 0.988 20 0 BCADHM Cc1nc(N(C)CC(=O)NC2CC2)cc(=O)[n-]1 ZINC000162809375 711680359 /nfs/dbraw/zinc/68/03/59/711680359.db2.gz BKUBTWIIQMOFBO-UHFFFAOYSA-N -1 3 236.275 0.205 20 0 BCADHM O=c1cc(NCC2CCC(O)CC2)nc[n-]1 ZINC000227712714 711832650 /nfs/dbraw/zinc/83/26/50/711832650.db2.gz DMKPDQHUFIAPQM-UHFFFAOYSA-N -1 3 223.276 0.733 20 0 BCADHM O=C(NCCn1ccnn1)c1ccc(O)cc1[O-] ZINC000227984607 711833197 /nfs/dbraw/zinc/83/31/97/711833197.db2.gz KOGWDXXHNLDCDC-UHFFFAOYSA-N -1 3 248.242 0.119 20 0 BCADHM CC(=O)[N-]O[C@@H](C)C(=O)N1CCCCCC1 ZINC000180804855 711890041 /nfs/dbraw/zinc/89/00/41/711890041.db2.gz DLBSOINEYFGDSL-VIFPVBQESA-N -1 3 228.292 0.845 20 0 BCADHM C[C@H]1CCN(c2cc(=O)[n-]cn2)C[C@H]1CO ZINC000700418799 711992738 /nfs/dbraw/zinc/99/27/38/711992738.db2.gz NTTRMTLBESLGIP-IUCAKERBSA-N -1 3 223.276 0.637 20 0 BCADHM Cc1nc(N2CC[C@@H](C)[C@@H](CO)C2)cc(=O)[n-]1 ZINC000700413564 711992893 /nfs/dbraw/zinc/99/28/93/711992893.db2.gz FENVAKYLQIDWBW-PSASIEDQSA-N -1 3 237.303 0.945 20 0 BCADHM O=C(c1cncc([O-])c1)N1CC[C@@H](N2CCC2)C1 ZINC000702296365 712043121 /nfs/dbraw/zinc/04/31/21/712043121.db2.gz KFKIGVHSDVGEPV-LLVKDONJSA-N -1 3 247.298 0.707 20 0 BCADHM Cc1nc(NC[C@H]2COCCN2C)cc(=O)[n-]1 ZINC000704051035 712099334 /nfs/dbraw/zinc/09/93/34/712099334.db2.gz ZAKRBZURLAWYFD-VIFPVBQESA-N -1 3 238.291 0.233 20 0 BCADHM CCC1(O)CCN(c2cc(=O)[n-]cn2)CC1 ZINC000707234522 712166991 /nfs/dbraw/zinc/16/69/91/712166991.db2.gz XGDACWVBOSAVEH-UHFFFAOYSA-N -1 3 223.276 0.924 20 0 BCADHM Cc1nc(N[C@H]2C[C@@H](CO)C2)cc(=O)[n-]1 ZINC000707695465 712176090 /nfs/dbraw/zinc/17/60/90/712176090.db2.gz KPEDXGATXOWBQQ-OCAPTIKFSA-N -1 3 209.249 0.673 20 0 BCADHM CN(C[C@@H](O)C1CC1)c1cc(=O)[n-]cn1 ZINC000708506710 712212190 /nfs/dbraw/zinc/21/21/90/712212190.db2.gz RZZLARRRPOXZLH-MRVPVSSYSA-N -1 3 209.249 0.389 20 0 BCADHM COC(=O)C1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000165217241 712346386 /nfs/dbraw/zinc/34/63/86/712346386.db2.gz KZLXZOVZGQSSBV-UHFFFAOYSA-N -1 3 237.259 0.159 20 0 BCADHM CN1CC[C@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC000712283050 712393998 /nfs/dbraw/zinc/39/39/98/712393998.db2.gz ISXIFFAIYYPLMR-VIFPVBQESA-N -1 3 238.262 0.965 20 0 BCADHM CO[C@@H](C)C[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000712754235 712449277 /nfs/dbraw/zinc/44/92/77/712449277.db2.gz SQCVJOMHKXIVGG-QMMMGPOBSA-N -1 3 245.304 0.098 20 0 BCADHM O=C(NCC1OCCCO1)c1ccccc1[O-] ZINC000716371477 712556849 /nfs/dbraw/zinc/55/68/49/712556849.db2.gz WXVVKDXBRWJTFJ-UHFFFAOYSA-N -1 3 237.255 0.885 20 0 BCADHM CCOc1nnc(NC(=O)CCOC(C)C)[n-]1 ZINC000716906725 712581640 /nfs/dbraw/zinc/58/16/40/712581640.db2.gz ISLXPLRWGBWFQY-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nc(NC(=O)CCOC(C)C)n[n-]1 ZINC000716906725 712581641 /nfs/dbraw/zinc/58/16/41/712581641.db2.gz ISLXPLRWGBWFQY-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1n[n-]c(NC(=O)CCOC(C)C)n1 ZINC000716906725 712581642 /nfs/dbraw/zinc/58/16/42/712581642.db2.gz ISLXPLRWGBWFQY-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM O=C(OCCOCC1CCC1)c1cnn[n-]1 ZINC000842103668 712603312 /nfs/dbraw/zinc/60/33/12/712603312.db2.gz NJILECFWJQMMLW-UHFFFAOYSA-N -1 3 225.248 0.778 20 0 BCADHM O=C(OCCOCC1CCC1)c1c[n-]nn1 ZINC000842103668 712603314 /nfs/dbraw/zinc/60/33/14/712603314.db2.gz NJILECFWJQMMLW-UHFFFAOYSA-N -1 3 225.248 0.778 20 0 BCADHM CC(F)(F)C(=O)[N-][C@@H]1COCCC1=O ZINC000717178269 712638232 /nfs/dbraw/zinc/63/82/32/712638232.db2.gz SFDMEFVQORUHRV-RXMQYKEDSA-N -1 3 207.176 0.116 20 0 BCADHM Cc1ccc(C(=O)NC[C@H](O)[C@@H](C)O)c([O-])c1 ZINC000717336662 712649693 /nfs/dbraw/zinc/64/96/93/712649693.db2.gz RBLHYYJLEYUMCH-KCJUWKMLSA-N -1 3 239.271 0.172 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@H](O)[C@@H](C)O ZINC000717412759 712656464 /nfs/dbraw/zinc/65/64/64/712656464.db2.gz NMKCQLPCZDWOKY-SCZZXKLOSA-N -1 3 239.271 0.172 20 0 BCADHM O=C(N[C@]12C[C@H]1COC2)c1ccc(O)cc1[O-] ZINC000718084161 712741735 /nfs/dbraw/zinc/74/17/35/712741735.db2.gz HSRGXCAWAHJSQH-MADCSZMMSA-N -1 3 235.239 0.617 20 0 BCADHM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C ZINC000719336710 712804756 /nfs/dbraw/zinc/80/47/56/712804756.db2.gz KIACEXSBNSJGDV-BDAKNGLRSA-N -1 3 235.287 0.610 20 0 BCADHM COCc1nc(=N[C@H](C)CN(C)C)s[n-]1 ZINC000336729041 398136004 /nfs/dbraw/zinc/13/60/04/398136004.db2.gz IQCXPCPZIPMPLY-SSDOTTSWSA-N -1 3 230.337 0.468 20 0 BCADHM COCc1nsc(=N[C@H](C)CN(C)C)[n-]1 ZINC000336729041 398136008 /nfs/dbraw/zinc/13/60/08/398136008.db2.gz IQCXPCPZIPMPLY-SSDOTTSWSA-N -1 3 230.337 0.468 20 0 BCADHM C[C@H]1COCC[C@H]1C(=O)Nc1ccncc1[O-] ZINC000408438184 398170033 /nfs/dbraw/zinc/17/00/33/398170033.db2.gz GHVXPECAHNQLGT-DTWKUNHWSA-N -1 3 236.271 0.820 20 0 BCADHM CC(=O)CCC(=O)NCc1ncccc1[O-] ZINC000337549700 187325143 /nfs/dbraw/zinc/32/51/43/187325143.db2.gz FTQJLYIMYJYMNB-UHFFFAOYSA-N -1 3 222.244 0.773 20 0 BCADHM Cc1cc(Cn2cc(Cl)c(=O)[n-]c2=O)on1 ZINC000091329774 178074113 /nfs/dbraw/zinc/07/41/13/178074113.db2.gz ICAPSUPJOUAUAV-UHFFFAOYSA-N -1 3 241.634 0.535 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)CC(C)C)CCC1 ZINC000119263191 398192790 /nfs/dbraw/zinc/19/27/90/398192790.db2.gz GCISAXIKBMZLTR-UHFFFAOYSA-N -1 3 249.332 0.658 20 0 BCADHM Cc1ccc(C(=O)N2CN(C)C(=O)[C@H]2C)c([O-])c1 ZINC000648640266 398209605 /nfs/dbraw/zinc/20/96/05/398209605.db2.gz GDAOXNKXYIXTEG-SECBINFHSA-N -1 3 248.282 0.961 20 0 BCADHM O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1cc(F)c[n-]c1=O ZINC000621987343 370645278 /nfs/dbraw/zinc/64/52/78/370645278.db2.gz RTEFDMMVTUPLOA-BRPSZJMVSA-N -1 3 238.218 0.301 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2C[C@@H](O)C2)o1 ZINC000625568435 398211509 /nfs/dbraw/zinc/21/15/09/398211509.db2.gz JHJNIEHNEQRCLQ-DTORHVGOSA-N -1 3 245.300 0.637 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)SC[C@H](O)CO)n1 ZINC000121790970 178202138 /nfs/dbraw/zinc/20/21/38/178202138.db2.gz QXOYAVSPVKEHNZ-JGVFFNPUSA-N -1 3 244.316 0.638 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CCC(N)=O)n1 ZINC000286502439 178203335 /nfs/dbraw/zinc/20/33/35/178203335.db2.gz PVAKRCLSLXSGBV-QMMMGPOBSA-N -1 3 238.291 0.359 20 0 BCADHM Cc1cccc(CCNC(=O)c2c[n-]nn2)n1 ZINC000279830315 538936300 /nfs/dbraw/zinc/93/63/00/538936300.db2.gz DZCXWXJRLAUEKS-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM Cc1cccc(CCNC(=O)c2cnn[n-]2)n1 ZINC000279830315 538936302 /nfs/dbraw/zinc/93/63/02/538936302.db2.gz DZCXWXJRLAUEKS-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM Cc1cccc(CCNC(=O)c2cn[n-]n2)n1 ZINC000279830315 538936303 /nfs/dbraw/zinc/93/63/03/538936303.db2.gz DZCXWXJRLAUEKS-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2c[n-]nn2)CCO1 ZINC000220134846 398251214 /nfs/dbraw/zinc/25/12/14/398251214.db2.gz QYFINMPWWFZWKO-NKWVEPMBSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cnn[n-]2)CCO1 ZINC000220134846 398251215 /nfs/dbraw/zinc/25/12/15/398251215.db2.gz QYFINMPWWFZWKO-NKWVEPMBSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cn[n-]n2)CCO1 ZINC000220134846 398251216 /nfs/dbraw/zinc/25/12/16/398251216.db2.gz QYFINMPWWFZWKO-NKWVEPMBSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H]1CCN(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000649453878 398256594 /nfs/dbraw/zinc/25/65/94/398256594.db2.gz OPMWTEONGKYHSE-OPRDCNLKSA-N -1 3 240.303 0.165 20 0 BCADHM CCCCN(C)CCNC(=O)C1(C(=O)[O-])CC1 ZINC000649461753 398263194 /nfs/dbraw/zinc/26/31/94/398263194.db2.gz CDIOHULLKBUOAP-UHFFFAOYSA-N -1 3 242.319 0.699 20 0 BCADHM CN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000649462536 398264264 /nfs/dbraw/zinc/26/42/64/398264264.db2.gz DKUNTKOTFKQNBQ-IVZWLZJFSA-N -1 3 240.303 0.260 20 0 BCADHM Cc1ccc(C(=O)N2CC(=O)N[C@H](C)C2)c([O-])c1 ZINC000296202666 178382348 /nfs/dbraw/zinc/38/23/48/178382348.db2.gz OQJJWTSFRKCHII-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM Cc1ccc(C(=O)N2CC(=O)N(C)C2)c([O-])c1 ZINC000336597537 178383147 /nfs/dbraw/zinc/38/31/47/178383147.db2.gz YKMMJCMQGUGGBJ-UHFFFAOYSA-N -1 3 234.255 0.572 20 0 BCADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C)c(C)o1 ZINC000081604088 398269340 /nfs/dbraw/zinc/26/93/40/398269340.db2.gz AVYUANOANBQWQR-UHFFFAOYSA-N -1 3 246.288 0.198 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@@H]1CCC(=O)N1 ZINC000082258981 398272235 /nfs/dbraw/zinc/27/22/35/398272235.db2.gz LADLJNVPKMDVGS-QMMMGPOBSA-N -1 3 220.228 0.609 20 0 BCADHM C[C@H](COCC1CC1)N=c1ncnc2[nH][n-]cc1-2 ZINC000649477963 398275519 /nfs/dbraw/zinc/27/55/19/398275519.db2.gz NBTJTOQMJDNJDN-MRVPVSSYSA-N -1 3 247.302 0.953 20 0 BCADHM CC[C@@H](O)CCNC(=O)Cc1cncc([O-])c1 ZINC000583332264 342735621 /nfs/dbraw/zinc/73/56/21/342735621.db2.gz AUCHTRXRIDZADP-SNVBAGLBSA-N -1 3 238.287 0.607 20 0 BCADHM O=C(NC[C@H]1C[C@@H](O)C1)c1cc(F)c[n-]c1=O ZINC000630025736 361905508 /nfs/dbraw/zinc/90/55/08/361905508.db2.gz IPJVWPYCVSBZJT-WRXNHJIOSA-N -1 3 240.234 0.427 20 0 BCADHM C[C@H](O)C[N-]S(=O)(=O)c1cccs1 ZINC000032013851 342797108 /nfs/dbraw/zinc/79/71/08/342797108.db2.gz JJVGMWNZBIEYOF-LURJTMIESA-N -1 3 221.303 0.407 20 0 BCADHM CCN(CC(=O)NCC(=O)[O-])C1CCCCC1 ZINC000032025463 342797400 /nfs/dbraw/zinc/79/74/00/342797400.db2.gz QEGRQHGQUMMZIA-UHFFFAOYSA-N -1 3 242.319 0.842 20 0 BCADHM CO[C@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000624724246 342822350 /nfs/dbraw/zinc/82/23/50/342822350.db2.gz ADSSKGUQOBPKIH-LJGSYFOKSA-N -1 3 219.248 0.316 20 0 BCADHM CC[C@@H](CN1CCCC1)NC(=O)C(=O)[O-] ZINC000389573632 539016846 /nfs/dbraw/zinc/01/68/46/539016846.db2.gz BZMVEIOBYCZQPR-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000305200933 529404225 /nfs/dbraw/zinc/40/42/25/529404225.db2.gz KUYCAXUGJGNMMZ-SFYZADRCSA-N -1 3 247.320 0.095 20 0 BCADHM CN(CC(N)=O)Cc1cc([O-])ccc1Cl ZINC000625078890 342849601 /nfs/dbraw/zinc/84/96/01/342849601.db2.gz YRGCTPVRGNUDPM-UHFFFAOYSA-N -1 3 228.679 0.963 20 0 BCADHM C[C@H]1CCN(Cc2ncccc2[O-])[C@H](C(N)=O)C1 ZINC000519476850 398305095 /nfs/dbraw/zinc/30/50/95/398305095.db2.gz CJTJQNPXHCPVOF-ONGXEEELSA-N -1 3 249.314 0.873 20 0 BCADHM CN(CC(F)(F)F)C(=O)c1cc(=O)[n-]cn1 ZINC000624553641 344007658 /nfs/dbraw/zinc/00/76/58/344007658.db2.gz SZULGYIWBGLGHZ-UHFFFAOYSA-N -1 3 235.165 0.817 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H]1C[C@@H]1C ZINC000519485467 398305616 /nfs/dbraw/zinc/30/56/16/398305616.db2.gz BPCVTEHAXRGBPL-UJNFCWOMSA-N -1 3 237.303 0.661 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCNC1=O ZINC000628035862 342888746 /nfs/dbraw/zinc/88/87/46/342888746.db2.gz FLIGMWFTLWUYNC-QMMMGPOBSA-N -1 3 234.255 0.319 20 0 BCADHM C[C@H](CO)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000352607726 398322009 /nfs/dbraw/zinc/32/20/09/398322009.db2.gz YXGVPCVSNFMNGS-MRVPVSSYSA-N -1 3 246.270 0.582 20 0 BCADHM COCC1(N(C)C(=O)c2cc(=O)[n-]cn2)CC1 ZINC000628049846 342911102 /nfs/dbraw/zinc/91/11/02/342911102.db2.gz HAWDTDPVGUWPAO-UHFFFAOYSA-N -1 3 237.259 0.433 20 0 BCADHM CN(C)CCn1[n-]c2c(c1=O)CSCC2 ZINC000634590210 342936635 /nfs/dbraw/zinc/93/66/35/342936635.db2.gz SOWHNDDGLXHHNM-MRVPVSSYSA-N -1 3 227.333 0.499 20 0 BCADHM CN(C)CCn1[n-]c2c(c1=O)Cc1ccncc1-2 ZINC000634590318 342936671 /nfs/dbraw/zinc/93/66/71/342936671.db2.gz VZVIZFAJGSJSFE-SNVBAGLBSA-N -1 3 244.298 0.362 20 0 BCADHM CN(C)CCn1[n-]c2c(c1=O)Cc1ccncc1-2 ZINC000634590317 342936738 /nfs/dbraw/zinc/93/67/38/342936738.db2.gz VZVIZFAJGSJSFE-JTQLQIEISA-N -1 3 244.298 0.362 20 0 BCADHM CC1(c2noc([C@@H]3CCS(=O)(=O)[N-]3)n2)CC1 ZINC000650623185 398334049 /nfs/dbraw/zinc/33/40/49/398334049.db2.gz KPQOTMXBMNOFMO-LURJTMIESA-N -1 3 243.288 0.485 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)COC)c1 ZINC000354305346 187209902 /nfs/dbraw/zinc/20/99/02/187209902.db2.gz QJKCFBWSGBNWLT-QMMMGPOBSA-N -1 3 247.320 0.216 20 0 BCADHM COC(=O)CN(C)C(=O)c1ccccc1[O-] ZINC000019967249 342965349 /nfs/dbraw/zinc/96/53/49/342965349.db2.gz VWVOGCSNYQBEQC-UHFFFAOYSA-N -1 3 223.228 0.637 20 0 BCADHM CC(=O)N(C)CC(=O)Nc1nc(C)ccc1[O-] ZINC000273481380 187336654 /nfs/dbraw/zinc/33/66/54/187336654.db2.gz LDOJXSGWMKQEEL-UHFFFAOYSA-N -1 3 237.259 0.512 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000021637017 343016553 /nfs/dbraw/zinc/01/65/53/343016553.db2.gz RRBSRHIUIOPKNG-UHFFFAOYSA-N -1 3 241.272 0.492 20 0 BCADHM CCCN(CC(=O)[O-])C[C@@H](O)C(F)(F)F ZINC000082681323 362099987 /nfs/dbraw/zinc/09/99/87/362099987.db2.gz PVWCIKFDUNPMHE-ZCFIWIBFSA-N -1 3 229.198 0.706 20 0 BCADHM C[C@]1(CNC(=O)c2c[n-]nn2)CC1(F)F ZINC000618603962 343126904 /nfs/dbraw/zinc/12/69/04/343126904.db2.gz NQSWCQPRMMFYTA-SSDOTTSWSA-N -1 3 216.191 0.580 20 0 BCADHM C[C@]1(CNC(=O)c2cnn[n-]2)CC1(F)F ZINC000618603962 343126905 /nfs/dbraw/zinc/12/69/05/343126905.db2.gz NQSWCQPRMMFYTA-SSDOTTSWSA-N -1 3 216.191 0.580 20 0 BCADHM C[C@]1(CNC(=O)c2cn[n-]n2)CC1(F)F ZINC000618603962 343126907 /nfs/dbraw/zinc/12/69/07/343126907.db2.gz NQSWCQPRMMFYTA-SSDOTTSWSA-N -1 3 216.191 0.580 20 0 BCADHM CCOCCN(CC)C(=O)c1cc(=O)[n-]cn1 ZINC000625359738 343248349 /nfs/dbraw/zinc/24/83/49/343248349.db2.gz XJIMAYUZEHILKR-UHFFFAOYSA-N -1 3 239.275 0.681 20 0 BCADHM O=S(=O)([N-]CC1CC=CC1)c1c[nH]cn1 ZINC000625366862 343260618 /nfs/dbraw/zinc/26/06/18/343260618.db2.gz QMIJOWHGOGDCKU-UHFFFAOYSA-N -1 3 227.289 0.654 20 0 BCADHM CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000019839590 187252773 /nfs/dbraw/zinc/25/27/73/187252773.db2.gz HNVLTTBYXWPNDZ-UHFFFAOYSA-N -1 3 248.282 0.697 20 0 BCADHM C[C@@H]1OCC[C@H]1CN1CCOC[C@H]1C(=O)[O-] ZINC000634690436 343276620 /nfs/dbraw/zinc/27/66/20/343276620.db2.gz LLLOMSCVLSFQHA-GUBZILKMSA-N -1 3 229.276 0.197 20 0 BCADHM CSCCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069949069 343294739 /nfs/dbraw/zinc/29/47/39/343294739.db2.gz CSKWPRCUTKTBRP-UHFFFAOYSA-N -1 3 235.334 0.441 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@@H](C)C1=O ZINC000628072452 343332399 /nfs/dbraw/zinc/33/23/99/343332399.db2.gz MVVUGPHHMGXXPI-HTQZYQBOSA-N -1 3 249.270 0.479 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N(CCO)C1CC1 ZINC000036130593 343310334 /nfs/dbraw/zinc/31/03/34/343310334.db2.gz BVDURMBHJWDJAK-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC000335672135 136313797 /nfs/dbraw/zinc/31/37/97/136313797.db2.gz LOLZEGBPPPQGIS-RKDXNWHRSA-N -1 3 224.308 0.586 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000042272743 343432925 /nfs/dbraw/zinc/43/29/25/343432925.db2.gz VCCWJFUQMDVIMF-SSDOTTSWSA-N -1 3 223.228 0.684 20 0 BCADHM CCNC(=O)C1CN(C(=O)c2ccccc2[O-])C1 ZINC000176424977 365747366 /nfs/dbraw/zinc/74/73/66/365747366.db2.gz SJGHLKQWEDHXQE-UHFFFAOYSA-N -1 3 248.282 0.600 20 0 BCADHM CC(C)N(CC(=O)[O-])C[C@H](O)C(F)(F)F ZINC000082681312 343460012 /nfs/dbraw/zinc/46/00/12/343460012.db2.gz QWNBSQSLZNDFGQ-LURJTMIESA-N -1 3 229.198 0.705 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C2(C3CC3)CC2)n1 ZINC000580558925 365764268 /nfs/dbraw/zinc/76/42/68/365764268.db2.gz UFUFCSBZPDMRCS-UHFFFAOYSA-N -1 3 241.316 0.641 20 0 BCADHM COc1ccc(C[N-]C(=O)C(F)F)nc1 ZINC000279331258 187342330 /nfs/dbraw/zinc/34/23/30/187342330.db2.gz QJAISAKNQFTRJT-UHFFFAOYSA-N -1 3 216.187 0.972 20 0 BCADHM CO[C@H](C)CN1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000634694253 343619965 /nfs/dbraw/zinc/61/99/65/343619965.db2.gz DHFYMRNFEUUQPX-KKZNHRDASA-N -1 3 231.292 0.585 20 0 BCADHM CO[C@H](C)CN1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000634694254 343619995 /nfs/dbraw/zinc/61/99/95/343619995.db2.gz DHFYMRNFEUUQPX-WCABBAIRSA-N -1 3 231.292 0.585 20 0 BCADHM CCOCCN1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000634694672 343621346 /nfs/dbraw/zinc/62/13/46/343621346.db2.gz JQTSEWIJCIPJPF-ONGXEEELSA-N -1 3 231.292 0.587 20 0 BCADHM COCCN1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000634695250 343622609 /nfs/dbraw/zinc/62/26/09/343622609.db2.gz RCKLDYIUEUSGQU-SCZZXKLOSA-N -1 3 217.265 0.197 20 0 BCADHM CCc1[nH]ccc1C(=O)Nc1nnc(OC)[n-]1 ZINC000285498011 187345179 /nfs/dbraw/zinc/34/51/79/187345179.db2.gz ANINSDLAXMQCIL-UHFFFAOYSA-N -1 3 235.247 0.956 20 0 BCADHM CCc1[nH]ccc1C(=O)Nc1n[n-]c(OC)n1 ZINC000285498011 187345180 /nfs/dbraw/zinc/34/51/80/187345180.db2.gz ANINSDLAXMQCIL-UHFFFAOYSA-N -1 3 235.247 0.956 20 0 BCADHM CCc1[nH]ccc1C(=O)Nc1nc(OC)n[n-]1 ZINC000285498011 187345182 /nfs/dbraw/zinc/34/51/82/187345182.db2.gz ANINSDLAXMQCIL-UHFFFAOYSA-N -1 3 235.247 0.956 20 0 BCADHM CN1CN(C(=O)/C=C\c2cncc([O-])c2)CC1=O ZINC000493451082 529815748 /nfs/dbraw/zinc/81/57/48/529815748.db2.gz MGQNPRNNOOBAQF-IHWYPQMZSA-N -1 3 247.254 0.059 20 0 BCADHM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000309030814 346956255 /nfs/dbraw/zinc/95/62/55/346956255.db2.gz BLKSUJNPEIOKLF-ZETCQYMHSA-N -1 3 229.305 0.877 20 0 BCADHM CC[C@@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000584208710 343773660 /nfs/dbraw/zinc/77/36/60/343773660.db2.gz KAHXDTCDYZEPFD-LPEHRKFASA-N -1 3 242.319 0.839 20 0 BCADHM CCCCO[C@@H](C)C(=O)Nc1nnc(OC)[n-]1 ZINC000179377634 346983046 /nfs/dbraw/zinc/98/30/46/346983046.db2.gz ZBTGXHZGAZJPPB-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM CCCCO[C@@H](C)C(=O)Nc1n[n-]c(OC)n1 ZINC000179377634 346983049 /nfs/dbraw/zinc/98/30/49/346983049.db2.gz ZBTGXHZGAZJPPB-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM CCCCO[C@@H](C)C(=O)Nc1nc(OC)n[n-]1 ZINC000179377634 346983052 /nfs/dbraw/zinc/98/30/52/346983052.db2.gz ZBTGXHZGAZJPPB-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2c[n-]nn2)[C@H](C)O1 ZINC000395132047 362268620 /nfs/dbraw/zinc/26/86/20/362268620.db2.gz QPCCSTCFYNSSCA-VQVTYTSYSA-N -1 3 210.237 0.100 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cnn[n-]2)[C@H](C)O1 ZINC000395132047 362268626 /nfs/dbraw/zinc/26/86/26/362268626.db2.gz QPCCSTCFYNSSCA-VQVTYTSYSA-N -1 3 210.237 0.100 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cn[n-]n2)[C@H](C)O1 ZINC000395132047 362268635 /nfs/dbraw/zinc/26/86/35/362268635.db2.gz QPCCSTCFYNSSCA-VQVTYTSYSA-N -1 3 210.237 0.100 20 0 BCADHM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cc(=O)[n-]cn1 ZINC000628111270 343964912 /nfs/dbraw/zinc/96/49/12/343964912.db2.gz NVGSDBVYNAKYRQ-BDAKNGLRSA-N -1 3 249.270 0.216 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N(CCO)CC1CC1 ZINC000626216770 347025422 /nfs/dbraw/zinc/02/54/22/347025422.db2.gz GPCQWBNZLZYFLR-UHFFFAOYSA-N -1 3 237.259 0.027 20 0 BCADHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1cnn(C)c1 ZINC000625778591 344072390 /nfs/dbraw/zinc/07/23/90/344072390.db2.gz CDBFUVSHGCACAZ-SSDOTTSWSA-N -1 3 247.258 0.407 20 0 BCADHM CC(C)[C@H](O)CC[N-]S(=O)(=O)c1ccco1 ZINC000331302196 187358856 /nfs/dbraw/zinc/35/88/56/187358856.db2.gz RZAHKRBURANYGG-SECBINFHSA-N -1 3 247.316 0.965 20 0 BCADHM CC(=O)N[C@@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000330833518 187358157 /nfs/dbraw/zinc/35/81/57/187358157.db2.gz QSNIKUJFDQLJKM-ZETCQYMHSA-N -1 3 237.259 0.559 20 0 BCADHM CN(C(=O)c1cc(=O)[n-]cn1)C1CCC1 ZINC000625852693 344123756 /nfs/dbraw/zinc/12/37/56/344123756.db2.gz RJXUGQIPMKAGAL-UHFFFAOYSA-N -1 3 207.233 0.807 20 0 BCADHM COC(C)(C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000625862893 344154612 /nfs/dbraw/zinc/15/46/12/344154612.db2.gz VQOJBDXMFPGNOE-UHFFFAOYSA-N -1 3 225.248 0.337 20 0 BCADHM COc1nc(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)n[n-]1 ZINC000632258395 344215548 /nfs/dbraw/zinc/21/55/48/344215548.db2.gz YVWDZXQZQXLMIB-DSYKOEDSSA-N -1 3 240.263 0.565 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)[n-]1 ZINC000632258395 344215551 /nfs/dbraw/zinc/21/55/51/344215551.db2.gz YVWDZXQZQXLMIB-DSYKOEDSSA-N -1 3 240.263 0.565 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)n1 ZINC000632258395 344215553 /nfs/dbraw/zinc/21/55/53/344215553.db2.gz YVWDZXQZQXLMIB-DSYKOEDSSA-N -1 3 240.263 0.565 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cn1ccnc1 ZINC000131242495 344246172 /nfs/dbraw/zinc/24/61/72/344246172.db2.gz OMMPTYLEMFRDHA-UHFFFAOYSA-N -1 3 249.230 0.031 20 0 BCADHM O=C(NCCC1CC1)c1cc(=O)[n-]cn1 ZINC000625871562 344252373 /nfs/dbraw/zinc/25/23/73/344252373.db2.gz NHJPAXAXCOJKSH-UHFFFAOYSA-N -1 3 207.233 0.712 20 0 BCADHM O=C(N[C@@H]1CCSC1)c1cc(=O)[n-]cn1 ZINC000625872424 344266760 /nfs/dbraw/zinc/26/67/60/344266760.db2.gz ZYFFSCJBPXINTN-ZCFIWIBFSA-N -1 3 225.273 0.418 20 0 BCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)[C@@H](C)O1 ZINC000384933370 344270043 /nfs/dbraw/zinc/27/00/43/344270043.db2.gz STUKMAKEAWIBJQ-BWZBUEFSSA-N -1 3 245.304 0.254 20 0 BCADHM CC(C)(O)C[N-]S(=O)(=O)c1ccccn1 ZINC000132453175 344459849 /nfs/dbraw/zinc/45/98/49/344459849.db2.gz LLTPFIRBHOYIFF-UHFFFAOYSA-N -1 3 230.289 0.131 20 0 BCADHM CC(C)[C@H](O)C[N-]S(=O)(=O)c1ccccn1 ZINC000132537185 344475430 /nfs/dbraw/zinc/47/54/30/344475430.db2.gz MYIMBLSELULPCG-SECBINFHSA-N -1 3 244.316 0.377 20 0 BCADHM CC(C)Cc1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000132613030 344501205 /nfs/dbraw/zinc/50/12/05/344501205.db2.gz TTZSHOCBYKNNIW-UHFFFAOYSA-N -1 3 238.247 0.320 20 0 BCADHM CC(C)CCN1CCO[C@H](C(=O)[O-])C1 ZINC000044471318 344540114 /nfs/dbraw/zinc/54/01/14/344540114.db2.gz BEEOTLYEQZNXNJ-VIFPVBQESA-N -1 3 201.266 0.818 20 0 BCADHM C[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@H]1C ZINC000625913028 344560879 /nfs/dbraw/zinc/56/08/79/344560879.db2.gz QCPLOFZVDMDCOH-OCAPTIKFSA-N -1 3 221.260 0.910 20 0 BCADHM CN(CCO)C(=O)c1ccc2n[n-]nc2c1 ZINC000037860526 344594972 /nfs/dbraw/zinc/59/49/72/344594972.db2.gz MQXCQVINYZCBQS-UHFFFAOYSA-N -1 3 220.232 0.022 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)[C@H]1CCOC[C@@H]1C ZINC000641426200 362410797 /nfs/dbraw/zinc/41/07/97/362410797.db2.gz OKIBYCHNSQBPPT-WPRPVWTQSA-N -1 3 249.332 0.310 20 0 BCADHM CN(C[C@@H]1CCOC1)C(=O)c1cc(=O)[n-]cn1 ZINC000625998521 344660720 /nfs/dbraw/zinc/66/07/20/344660720.db2.gz MPIRHPWRVVIIBU-QMMMGPOBSA-N -1 3 237.259 0.291 20 0 BCADHM CCN1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000390017416 259379255 /nfs/dbraw/zinc/37/92/55/259379255.db2.gz VHNPNXAHYGCPOY-VIFPVBQESA-N -1 3 235.287 0.611 20 0 BCADHM CC1CC(NC(=O)c2cc(=O)[n-]cn2)C1 ZINC000625971495 344631285 /nfs/dbraw/zinc/63/12/85/344631285.db2.gz ABZKXULDOHTXEY-UHFFFAOYSA-N -1 3 207.233 0.711 20 0 BCADHM CC1(C)CN(C(=O)c2cc(=O)[n-]cn2)CCN1 ZINC000625979754 344643963 /nfs/dbraw/zinc/64/39/63/344643963.db2.gz UVXCURRPACPYKR-UHFFFAOYSA-N -1 3 236.275 0.006 20 0 BCADHM O=C(NCc1cscn1)c1c[n-]nn1 ZINC000050683620 344733350 /nfs/dbraw/zinc/73/33/50/344733350.db2.gz RBRIVHDYDQTMHB-UHFFFAOYSA-N -1 3 209.234 0.191 20 0 BCADHM O=C(NCc1cscn1)c1cnn[n-]1 ZINC000050683620 344733354 /nfs/dbraw/zinc/73/33/54/344733354.db2.gz RBRIVHDYDQTMHB-UHFFFAOYSA-N -1 3 209.234 0.191 20 0 BCADHM O=C(NCc1cscn1)c1cn[n-]n1 ZINC000050683620 344733356 /nfs/dbraw/zinc/73/33/56/344733356.db2.gz RBRIVHDYDQTMHB-UHFFFAOYSA-N -1 3 209.234 0.191 20 0 BCADHM CCN(Cc1ncccc1[O-])[C@@H]1CCNC1=O ZINC000581455914 347066762 /nfs/dbraw/zinc/06/67/62/347066762.db2.gz GODRNUOMNYLHHV-SNVBAGLBSA-N -1 3 235.287 0.498 20 0 BCADHM CC[C@H](CCO)CNC(=O)c1cc(=O)[n-]cn1 ZINC000626061486 344707858 /nfs/dbraw/zinc/70/78/58/344707858.db2.gz LTVWKPIMEFIZGY-MRVPVSSYSA-N -1 3 239.275 0.321 20 0 BCADHM CC(C)[C@H](CCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626070625 344713949 /nfs/dbraw/zinc/71/39/49/344713949.db2.gz WHTWHUOFCYBYNV-QMMMGPOBSA-N -1 3 239.275 0.319 20 0 BCADHM CCN1CC[C@@H](SCCc2nnn[n-]2)C1=O ZINC000603340928 349917222 /nfs/dbraw/zinc/91/72/22/349917222.db2.gz CCVGNVHVKFTPSC-SSDOTTSWSA-N -1 3 241.320 0.096 20 0 BCADHM CCN1CC[C@@H](SCCc2nn[n-]n2)C1=O ZINC000603340928 349917224 /nfs/dbraw/zinc/91/72/24/349917224.db2.gz CCVGNVHVKFTPSC-SSDOTTSWSA-N -1 3 241.320 0.096 20 0 BCADHM Cc1nnc(CSCCc2nnn[n-]2)n1C ZINC000603340799 349917731 /nfs/dbraw/zinc/91/77/31/349917731.db2.gz WLFLSJRTPOEEGD-UHFFFAOYSA-N -1 3 239.308 0.113 20 0 BCADHM Cc1nnc(CSCCc2nn[n-]n2)n1C ZINC000603340799 349917734 /nfs/dbraw/zinc/91/77/34/349917734.db2.gz WLFLSJRTPOEEGD-UHFFFAOYSA-N -1 3 239.308 0.113 20 0 BCADHM Cc1cc(CSCCc2nnn[n-]2)ncn1 ZINC000603341670 349918514 /nfs/dbraw/zinc/91/85/14/349918514.db2.gz PHSIYGGYSMWYPT-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM Cc1cc(CSCCc2nn[n-]n2)ncn1 ZINC000603341670 349918517 /nfs/dbraw/zinc/91/85/17/349918517.db2.gz PHSIYGGYSMWYPT-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM Cc1nc([C@@H](C)SCCc2nnn[n-]2)no1 ZINC000603341938 349918864 /nfs/dbraw/zinc/91/88/64/349918864.db2.gz UITWPVRPUFTKGI-RXMQYKEDSA-N -1 3 240.292 0.928 20 0 BCADHM Cc1nc([C@@H](C)SCCc2nn[n-]n2)no1 ZINC000603341938 349918869 /nfs/dbraw/zinc/91/88/69/349918869.db2.gz UITWPVRPUFTKGI-RXMQYKEDSA-N -1 3 240.292 0.928 20 0 BCADHM CCCC(=O)CSCCc1nnn[n-]1 ZINC000603341958 349919827 /nfs/dbraw/zinc/91/98/27/349919827.db2.gz UPPDUNRQJVKLQB-UHFFFAOYSA-N -1 3 214.294 0.845 20 0 BCADHM CCCC(=O)CSCCc1nn[n-]n1 ZINC000603341958 349919832 /nfs/dbraw/zinc/91/98/32/349919832.db2.gz UPPDUNRQJVKLQB-UHFFFAOYSA-N -1 3 214.294 0.845 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H](O)C1 ZINC000628156942 344849806 /nfs/dbraw/zinc/84/98/06/344849806.db2.gz NADFWCNUKWPDLR-KYZUINATSA-N -1 3 221.256 0.954 20 0 BCADHM c1cnc(CSCCc2nnn[n-]2)nc1 ZINC000603342074 349920142 /nfs/dbraw/zinc/92/01/42/349920142.db2.gz VWJQYQLILNEUFG-UHFFFAOYSA-N -1 3 222.277 0.466 20 0 BCADHM c1cnc(CSCCc2nn[n-]n2)nc1 ZINC000603342074 349920143 /nfs/dbraw/zinc/92/01/43/349920143.db2.gz VWJQYQLILNEUFG-UHFFFAOYSA-N -1 3 222.277 0.466 20 0 BCADHM C(Cc1nnn[n-]1)S[C@H]1CCOC1 ZINC000603342302 349920216 /nfs/dbraw/zinc/92/02/16/349920216.db2.gz XIDKZYWCQAWHTA-LURJTMIESA-N -1 3 200.267 0.264 20 0 BCADHM C(Cc1nn[n-]n1)S[C@H]1CCOC1 ZINC000603342302 349920217 /nfs/dbraw/zinc/92/02/17/349920217.db2.gz XIDKZYWCQAWHTA-LURJTMIESA-N -1 3 200.267 0.264 20 0 BCADHM C[C@H](Sc1n[n-]c(CO)n1)c1cnccn1 ZINC000583434232 344951297 /nfs/dbraw/zinc/95/12/97/344951297.db2.gz WORAILCDTSJTHE-LURJTMIESA-N -1 3 237.288 0.940 20 0 BCADHM C[C@@H](Sc1n[n-]c(CO)n1)c1cnccn1 ZINC000583434233 344951365 /nfs/dbraw/zinc/95/13/65/344951365.db2.gz WORAILCDTSJTHE-ZCFIWIBFSA-N -1 3 237.288 0.940 20 0 BCADHM Cc1cc(C(=O)[N-]c2nc(C)no2)nn1C ZINC000079643221 345007473 /nfs/dbraw/zinc/00/74/73/345007473.db2.gz OWZLKPZZBRGWMU-UHFFFAOYSA-N -1 3 221.220 0.672 20 0 BCADHM CC[C@@H](O)CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000124634324 345048073 /nfs/dbraw/zinc/04/80/73/345048073.db2.gz UAPCKYGNIFWQEG-SECBINFHSA-N -1 3 248.286 0.849 20 0 BCADHM CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000011800144 345016801 /nfs/dbraw/zinc/01/68/01/345016801.db2.gz NRDIFRZQEUMJFA-UHFFFAOYSA-N -1 3 214.265 0.014 20 0 BCADHM Cc1ccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c([O-])c1 ZINC000641566309 362505640 /nfs/dbraw/zinc/50/56/40/362505640.db2.gz CFUSQRHWVLNOGN-NOZJJQNGSA-N -1 3 233.267 0.907 20 0 BCADHM O=C([O-])[C@@H]1c2ccccc2CCN1CCO ZINC000044466932 345088056 /nfs/dbraw/zinc/08/80/56/345088056.db2.gz PQOSQUSVHIFQQH-NSHDSACASA-N -1 3 221.256 0.663 20 0 BCADHM COC(=O)CCCS(=O)(=O)[N-]CC(F)F ZINC000098000523 345084951 /nfs/dbraw/zinc/08/49/51/345084951.db2.gz MOPRVFXNPFNZKG-UHFFFAOYSA-N -1 3 245.247 0.124 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000641589430 362531266 /nfs/dbraw/zinc/53/12/66/362531266.db2.gz DEMCQFKMEFGKNQ-NOZJJQNGSA-N -1 3 233.267 0.907 20 0 BCADHM CCc1cc(SCCc2nnn[n-]2)ncn1 ZINC000641636443 362568714 /nfs/dbraw/zinc/56/87/14/362568714.db2.gz DDSTUAFCPRUKFL-UHFFFAOYSA-N -1 3 236.304 0.887 20 0 BCADHM CCc1cc(SCCc2nn[n-]n2)ncn1 ZINC000641636443 362568720 /nfs/dbraw/zinc/56/87/20/362568720.db2.gz DDSTUAFCPRUKFL-UHFFFAOYSA-N -1 3 236.304 0.887 20 0 BCADHM Fc1cnc(SCCc2nnn[n-]2)nc1 ZINC000641636406 362568789 /nfs/dbraw/zinc/56/87/89/362568789.db2.gz BTMMNVQCKMHRHJ-UHFFFAOYSA-N -1 3 226.240 0.464 20 0 BCADHM Fc1cnc(SCCc2nn[n-]n2)nc1 ZINC000641636406 362568791 /nfs/dbraw/zinc/56/87/91/362568791.db2.gz BTMMNVQCKMHRHJ-UHFFFAOYSA-N -1 3 226.240 0.464 20 0 BCADHM Cc1cc(SCCc2nnn[n-]2)ncn1 ZINC000641637980 362566069 /nfs/dbraw/zinc/56/60/69/362566069.db2.gz UBXCKFDDBYKHRQ-UHFFFAOYSA-N -1 3 222.277 0.633 20 0 BCADHM Cc1cc(SCCc2nn[n-]n2)ncn1 ZINC000641637980 362566073 /nfs/dbraw/zinc/56/60/73/362566073.db2.gz UBXCKFDDBYKHRQ-UHFFFAOYSA-N -1 3 222.277 0.633 20 0 BCADHM CC[C@H](O)CC(=O)NCc1ncccc1[O-] ZINC000622570589 345251573 /nfs/dbraw/zinc/25/15/73/345251573.db2.gz IYOXHGKPNZWVQD-QMMMGPOBSA-N -1 3 224.260 0.564 20 0 BCADHM CCC(O)(CC)CN(C)Cc1nc(=O)n(C)[n-]1 ZINC000626111425 345271767 /nfs/dbraw/zinc/27/17/67/345271767.db2.gz NVVUPBKZHMRZOD-UHFFFAOYSA-N -1 3 242.323 0.091 20 0 BCADHM FC(F)COc1cc(-c2nnn[n-]2)ccn1 ZINC000408493777 345375420 /nfs/dbraw/zinc/37/54/20/345375420.db2.gz BBTCJNZOROPRCN-UHFFFAOYSA-N -1 3 227.174 0.906 20 0 BCADHM FC(F)COc1cc(-c2nn[n-]n2)ccn1 ZINC000408493777 345375422 /nfs/dbraw/zinc/37/54/22/345375422.db2.gz BBTCJNZOROPRCN-UHFFFAOYSA-N -1 3 227.174 0.906 20 0 BCADHM CC1CC([N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000080815731 345452778 /nfs/dbraw/zinc/45/27/78/345452778.db2.gz OFLWUSXCQPETOW-UHFFFAOYSA-N -1 3 229.305 0.497 20 0 BCADHM C(Cc1nnn[n-]1)SCC1CCOCC1 ZINC000603338229 349927691 /nfs/dbraw/zinc/92/76/91/349927691.db2.gz GPTXNMVTAFENJQ-UHFFFAOYSA-N -1 3 228.321 0.902 20 0 BCADHM C(Cc1nn[n-]n1)SCC1CCOCC1 ZINC000603338229 349927693 /nfs/dbraw/zinc/92/76/93/349927693.db2.gz GPTXNMVTAFENJQ-UHFFFAOYSA-N -1 3 228.321 0.902 20 0 BCADHM CC(=O)[C@@H](C)SCCc1nnn[n-]1 ZINC000603337753 349928140 /nfs/dbraw/zinc/92/81/40/349928140.db2.gz MYIGHXGIFFTFAR-ZCFIWIBFSA-N -1 3 200.267 0.453 20 0 BCADHM CC(=O)[C@@H](C)SCCc1nn[n-]n1 ZINC000603337753 349928143 /nfs/dbraw/zinc/92/81/43/349928143.db2.gz MYIGHXGIFFTFAR-ZCFIWIBFSA-N -1 3 200.267 0.453 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CC2CCC2)c1 ZINC000080716145 345445751 /nfs/dbraw/zinc/44/57/51/345445751.db2.gz AIVIISROEZGRGB-UHFFFAOYSA-N -1 3 243.332 0.981 20 0 BCADHM Cn1cncc1CSCCc1nnn[n-]1 ZINC000603338360 349929550 /nfs/dbraw/zinc/92/95/50/349929550.db2.gz JGCRIZDHKGBWFE-UHFFFAOYSA-N -1 3 224.293 0.409 20 0 BCADHM Cn1cncc1CSCCc1nn[n-]n1 ZINC000603338360 349929551 /nfs/dbraw/zinc/92/95/51/349929551.db2.gz JGCRIZDHKGBWFE-UHFFFAOYSA-N -1 3 224.293 0.409 20 0 BCADHM CCc1noc(CSCCc2nnn[n-]2)n1 ZINC000603339094 349929078 /nfs/dbraw/zinc/92/90/78/349929078.db2.gz PVUSUMOSEQTGMS-UHFFFAOYSA-N -1 3 240.292 0.621 20 0 BCADHM CCc1noc(CSCCc2nn[n-]n2)n1 ZINC000603339094 349929083 /nfs/dbraw/zinc/92/90/83/349929083.db2.gz PVUSUMOSEQTGMS-UHFFFAOYSA-N -1 3 240.292 0.621 20 0 BCADHM O=C(N[C@@H](CO)CC1CC1)c1csc(=O)[n-]1 ZINC000684295208 488288132 /nfs/dbraw/zinc/28/81/32/488288132.db2.gz ZGEYSLDQORDOPX-SSDOTTSWSA-N -1 3 242.300 0.740 20 0 BCADHM CCCCNC(=O)CSCCc1nnn[n-]1 ZINC000603339212 349929337 /nfs/dbraw/zinc/92/93/37/349929337.db2.gz YEBCXLRMVYKXEU-UHFFFAOYSA-N -1 3 243.336 0.392 20 0 BCADHM CCCCNC(=O)CSCCc1nn[n-]n1 ZINC000603339212 349929340 /nfs/dbraw/zinc/92/93/40/349929340.db2.gz YEBCXLRMVYKXEU-UHFFFAOYSA-N -1 3 243.336 0.392 20 0 BCADHM [O-]c1cccnc1CNCc1ncc[nH]1 ZINC000308920282 187307176 /nfs/dbraw/zinc/30/71/76/187307176.db2.gz IREXDKWSRPPGTR-UHFFFAOYSA-N -1 3 204.233 0.800 20 0 BCADHM C[C@@H]1C[C@H](C)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000089263103 345552236 /nfs/dbraw/zinc/55/22/36/345552236.db2.gz ZLGQRPGZTMPVFL-RKDXNWHRSA-N -1 3 224.308 0.966 20 0 BCADHM CC(=O)[N-]OCC(=O)NCc1ccccc1C ZINC000176861598 187307142 /nfs/dbraw/zinc/30/71/42/187307142.db2.gz IGIHSZPRAVXTHZ-UHFFFAOYSA-N -1 3 236.271 0.679 20 0 BCADHM C[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091543228 345597777 /nfs/dbraw/zinc/59/77/77/345597777.db2.gz ITERJUICDSXYLZ-MRVPVSSYSA-N -1 3 210.281 0.720 20 0 BCADHM O=c1[n-]c(CN2CCC[C@H]2C2CCC2)n[nH]1 ZINC000091555247 345598766 /nfs/dbraw/zinc/59/87/66/345598766.db2.gz IEMXERINIAJILT-VIFPVBQESA-N -1 3 222.292 0.863 20 0 BCADHM C[C@@H]1CC[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC000091588135 345599655 /nfs/dbraw/zinc/59/96/55/345599655.db2.gz VBIGHTBMCHRATR-HTQZYQBOSA-N -1 3 210.281 0.718 20 0 BCADHM CC[C@@H](C)CN(CC)Cc1n[nH]c(=O)[n-]1 ZINC000091589315 345600197 /nfs/dbraw/zinc/60/01/97/345600197.db2.gz PWRTTZNRCHPTCM-MRVPVSSYSA-N -1 3 212.297 0.966 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(c1cnccn1)C2 ZINC000641687069 362607040 /nfs/dbraw/zinc/60/70/40/362607040.db2.gz IOTRTIYPXXFXRF-UHFFFAOYSA-N -1 3 229.243 0.801 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(c1ncccn1)C2 ZINC000641689053 362608117 /nfs/dbraw/zinc/60/81/17/362608117.db2.gz NBYZKGVCUUTBQK-UHFFFAOYSA-N -1 3 229.243 0.801 20 0 BCADHM c1cc(-c2nnn[n-]2)ncc1N1CCOCC1 ZINC000095235403 345684417 /nfs/dbraw/zinc/68/44/17/345684417.db2.gz IVNQGNARANEFJY-UHFFFAOYSA-N -1 3 232.247 0.098 20 0 BCADHM c1cc(-c2nn[n-]n2)ncc1N1CCOCC1 ZINC000095235403 345684418 /nfs/dbraw/zinc/68/44/18/345684418.db2.gz IVNQGNARANEFJY-UHFFFAOYSA-N -1 3 232.247 0.098 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)c1ccccc1 ZINC000140155419 345700429 /nfs/dbraw/zinc/70/04/29/345700429.db2.gz KPCGULIEMKLEBX-UHFFFAOYSA-N -1 3 231.215 0.156 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)c1ccccc1 ZINC000140155419 345700432 /nfs/dbraw/zinc/70/04/32/345700432.db2.gz KPCGULIEMKLEBX-UHFFFAOYSA-N -1 3 231.215 0.156 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)c1ccccc1 ZINC000140155419 345700433 /nfs/dbraw/zinc/70/04/33/345700433.db2.gz KPCGULIEMKLEBX-UHFFFAOYSA-N -1 3 231.215 0.156 20 0 BCADHM CC1(CN2CCOC[C@@H]2C(=O)[O-])CCC1 ZINC000307670950 345893250 /nfs/dbraw/zinc/89/32/50/345893250.db2.gz VWRDVKSGOUEGCZ-SECBINFHSA-N -1 3 213.277 0.962 20 0 BCADHM O=C(Nc1nn[n-]n1)[C@@H]1CCN1C1CCCC1 ZINC000635578266 345870586 /nfs/dbraw/zinc/87/05/86/345870586.db2.gz WMHDZGIXXDWABA-QMMMGPOBSA-N -1 3 236.279 0.155 20 0 BCADHM CCn1c2ccc(C)cc2nc1[N-]C(=O)C(N)=O ZINC000635769095 346058860 /nfs/dbraw/zinc/05/88/60/346058860.db2.gz FQWAOXOJEDHRCT-UHFFFAOYSA-N -1 3 246.270 0.788 20 0 BCADHM C[C@H](CN(C)c1cccnn1)c1nnn[n-]1 ZINC000095226214 346031254 /nfs/dbraw/zinc/03/12/54/346031254.db2.gz WXFQRMDSCUHCDV-SSDOTTSWSA-N -1 3 219.252 0.230 20 0 BCADHM C[C@H](CN(C)c1cccnn1)c1nn[n-]n1 ZINC000095226214 346031259 /nfs/dbraw/zinc/03/12/59/346031259.db2.gz WXFQRMDSCUHCDV-SSDOTTSWSA-N -1 3 219.252 0.230 20 0 BCADHM NC(=O)C(=O)[N-]c1nc2ccccc2n1C1CC1 ZINC000635734469 346044383 /nfs/dbraw/zinc/04/43/83/346044383.db2.gz UYSNMPRARGCRJY-UHFFFAOYSA-N -1 3 244.254 0.795 20 0 BCADHM Cc1cccc(C(=O)N2CCC[C@@H]2C(N)=O)c1[O-] ZINC000020295316 179008654 /nfs/dbraw/zinc/00/86/54/179008654.db2.gz QSEBNJDDGCITAK-SNVBAGLBSA-N -1 3 248.282 0.791 20 0 BCADHM Cc1cccc(C(=O)N2CC[C@H](C(N)=O)C2)c1[O-] ZINC000225897047 179011761 /nfs/dbraw/zinc/01/17/61/179011761.db2.gz JRLOGRUQQAFEAB-VIFPVBQESA-N -1 3 248.282 0.648 20 0 BCADHM Cc1cccc(C(=O)NCC(=O)N(C)C)c1[O-] ZINC000037207196 179015174 /nfs/dbraw/zinc/01/51/74/179015174.db2.gz FWAKAVLLNOUIKD-UHFFFAOYSA-N -1 3 236.271 0.519 20 0 BCADHM Cc1cccc(C(=O)N2CCNCC2)c1[O-] ZINC000019442334 179010279 /nfs/dbraw/zinc/01/02/79/179010279.db2.gz XGECEMMJVBUICQ-UHFFFAOYSA-N -1 3 220.272 0.746 20 0 BCADHM Cc1cccc(C(=O)NCc2nnnn2C)c1[O-] ZINC000276641392 179019444 /nfs/dbraw/zinc/01/94/44/179019444.db2.gz QTUQTCHGBGYITF-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM Cc1cccc(C(=O)N[C@@H](C)C(N)=O)c1[O-] ZINC000035149293 179019736 /nfs/dbraw/zinc/01/97/36/179019736.db2.gz UDLJZYNJZHZERY-ZETCQYMHSA-N -1 3 222.244 0.304 20 0 BCADHM Cc1cccc(C(=O)NCc2nncn2C)c1[O-] ZINC000047868348 179020138 /nfs/dbraw/zinc/02/01/38/179020138.db2.gz JSHPWASLDXYUPR-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM O=c1[n-]nc(CN2C[C@H](F)C[C@@H]2CO)s1 ZINC000367452394 187319932 /nfs/dbraw/zinc/31/99/32/187319932.db2.gz UKORXDNWUPOMFA-PHDIDXHHSA-N -1 3 233.268 0.148 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1C[C@@H]1C)C2 ZINC000636281836 346377451 /nfs/dbraw/zinc/37/74/51/346377451.db2.gz FUHUMECQRBLIHB-POYBYMJQSA-N -1 3 233.271 0.989 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H]1CCOC1)C2 ZINC000636285393 346378975 /nfs/dbraw/zinc/37/89/75/346378975.db2.gz SVCXAXSIRXCFRV-QMMMGPOBSA-N -1 3 249.270 0.369 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H]1C[C@@H](O)C1)C2 ZINC000636293035 346382151 /nfs/dbraw/zinc/38/21/51/346382151.db2.gz AMBYQXJYVOXTRN-OCAPTIKFSA-N -1 3 249.270 0.104 20 0 BCADHM O=C(NC[C@H]1CCC[C@@H]1O)c1csc(=O)[n-]1 ZINC000332982432 537971701 /nfs/dbraw/zinc/97/17/01/537971701.db2.gz YCUJMCOQORIVIC-SVRRBLITSA-N -1 3 242.300 0.740 20 0 BCADHM CO[C@@H]1C[C@@H](C(=O)[O-])N(C[C@@H](O)C(C)(C)C)C1 ZINC000574922166 346416752 /nfs/dbraw/zinc/41/67/52/346416752.db2.gz GXMVAKNZXAGFMK-KXUCPTDWSA-N -1 3 245.319 0.567 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)OC)[n-]1 ZINC000617873650 346496844 /nfs/dbraw/zinc/49/68/44/346496844.db2.gz HEDRBWWDYWKFQB-ZCFIWIBFSA-N -1 3 241.247 0.560 20 0 BCADHM CCOC(=O)c1nc(NC(=O)[C@@H](C)OC)c[n-]1 ZINC000617873650 346496848 /nfs/dbraw/zinc/49/68/48/346496848.db2.gz HEDRBWWDYWKFQB-ZCFIWIBFSA-N -1 3 241.247 0.560 20 0 BCADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](C)O ZINC000184837842 179110830 /nfs/dbraw/zinc/11/08/30/179110830.db2.gz VLFLCVPFMGWLOQ-MRVPVSSYSA-N -1 3 247.291 0.793 20 0 BCADHM COCCOCC(=O)Nc1ncccc1[O-] ZINC000192735465 259392297 /nfs/dbraw/zinc/39/22/97/259392297.db2.gz QKVDGPHRINLVFH-UHFFFAOYSA-N -1 3 226.232 0.389 20 0 BCADHM CC(F)(F)C[N-]S(=O)(=O)N1CCC1 ZINC000382096482 347249435 /nfs/dbraw/zinc/24/94/35/347249435.db2.gz DWXDXOOXEXMNHM-UHFFFAOYSA-N -1 3 214.237 0.182 20 0 BCADHM COC(=O)CNC(=O)c1cccc(C)c1[O-] ZINC000019837668 347293812 /nfs/dbraw/zinc/29/38/12/347293812.db2.gz YCNUJUPVJGCBOU-UHFFFAOYSA-N -1 3 223.228 0.603 20 0 BCADHM O=C(c1ccccc1[O-])N1CCC[C@H](O)C1 ZINC000035103317 358453303 /nfs/dbraw/zinc/45/33/03/358453303.db2.gz HCBMUDYLJUTTHA-VIFPVBQESA-N -1 3 221.256 0.989 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2CCNC2=O)c([O-])c1 ZINC000616961545 347536980 /nfs/dbraw/zinc/53/69/80/347536980.db2.gz XYSLOIKZUZVDNQ-VIFPVBQESA-N -1 3 234.255 0.319 20 0 BCADHM CNC(=O)[C@@H](C)NCc1nc(C)ccc1[O-] ZINC000082424840 347588662 /nfs/dbraw/zinc/58/86/62/347588662.db2.gz MQQUMKPBJNUJDO-MRVPVSSYSA-N -1 3 223.276 0.320 20 0 BCADHM O=C(CCc1nnc[nH]1)Nc1ncccc1[O-] ZINC000176776356 365902940 /nfs/dbraw/zinc/90/29/40/365902940.db2.gz JXYWYKGANFDEAL-UHFFFAOYSA-N -1 3 233.231 0.477 20 0 BCADHM O=C(CCc1nc[nH]n1)Nc1ncccc1[O-] ZINC000176776356 365902945 /nfs/dbraw/zinc/90/29/45/365902945.db2.gz JXYWYKGANFDEAL-UHFFFAOYSA-N -1 3 233.231 0.477 20 0 BCADHM COC(=O)CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000595520424 348270129 /nfs/dbraw/zinc/27/01/29/348270129.db2.gz ORWDFMNEXCHYHW-UHFFFAOYSA-N -1 3 239.275 0.488 20 0 BCADHM Cc1ccnc(Sc2nnc(CO)[n-]2)n1 ZINC000526074427 323185187 /nfs/dbraw/zinc/18/51/87/323185187.db2.gz MKHMTRAGDKVRJP-UHFFFAOYSA-N -1 3 223.261 0.547 20 0 BCADHM Cc1ccnc(Sc2nc(CO)n[n-]2)n1 ZINC000526074427 323185188 /nfs/dbraw/zinc/18/51/88/323185188.db2.gz MKHMTRAGDKVRJP-UHFFFAOYSA-N -1 3 223.261 0.547 20 0 BCADHM Cc1ccnc(Sc2n[n-]c(CO)n2)n1 ZINC000526074427 323185189 /nfs/dbraw/zinc/18/51/89/323185189.db2.gz MKHMTRAGDKVRJP-UHFFFAOYSA-N -1 3 223.261 0.547 20 0 BCADHM C[C@@H]1[C@H](C)CN(Cc2nc(=O)n(C)[n-]2)[C@H]1C ZINC000419376450 192132592 /nfs/dbraw/zinc/13/25/92/192132592.db2.gz SZGKONYLPXQFAS-HLTSFMKQSA-N -1 3 224.308 0.585 20 0 BCADHM COC(=O)[C@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000596556662 348578869 /nfs/dbraw/zinc/57/88/69/348578869.db2.gz UQZCQVMYSHUXEU-LJGSYFOKSA-N -1 3 247.258 0.090 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)CCCF)n1 ZINC000597270083 348704526 /nfs/dbraw/zinc/70/45/26/348704526.db2.gz ZPFZSCTUOZDZAA-UHFFFAOYSA-N -1 3 244.226 0.208 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)CCCF)[n-]1 ZINC000597270083 348704529 /nfs/dbraw/zinc/70/45/29/348704529.db2.gz ZPFZSCTUOZDZAA-UHFFFAOYSA-N -1 3 244.226 0.208 20 0 BCADHM COC(=O)Cc1nc(NC(=O)CCCF)n[n-]1 ZINC000597270083 348704530 /nfs/dbraw/zinc/70/45/30/348704530.db2.gz ZPFZSCTUOZDZAA-UHFFFAOYSA-N -1 3 244.226 0.208 20 0 BCADHM CC(=O)NCC(=O)Nc1ccc([O-])cc1F ZINC000082879325 348917796 /nfs/dbraw/zinc/91/77/96/348917796.db2.gz DGOWIXSWQYTJEV-UHFFFAOYSA-N -1 3 226.207 0.606 20 0 BCADHM Cc1ccc(NC(=O)C2(C(N)=O)CC2)c([O-])c1 ZINC000599297111 349149826 /nfs/dbraw/zinc/14/98/26/349149826.db2.gz MZHFQIFXLONNKO-UHFFFAOYSA-N -1 3 234.255 0.905 20 0 BCADHM CS[C@@H](C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000599707586 349250222 /nfs/dbraw/zinc/25/02/22/349250222.db2.gz SHGLNORHXBWOOO-LURJTMIESA-N -1 3 227.289 0.664 20 0 BCADHM CCOC(=O)Cn1[n-]c(C)c(C2CC2)c1=O ZINC000601950142 349396600 /nfs/dbraw/zinc/39/66/00/349396600.db2.gz QBHILRIDTVGUAS-SNVBAGLBSA-N -1 3 224.260 0.794 20 0 BCADHM C[C@H]1CCN[C@@H](C(=O)N(C)CCCC(=O)[O-])C1 ZINC000161208178 349398510 /nfs/dbraw/zinc/39/85/10/349398510.db2.gz RNHWWMBOQMCBHZ-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM CN1CCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000128417695 191008715 /nfs/dbraw/zinc/00/87/15/191008715.db2.gz MDUSBDPBKBUIDM-MRVPVSSYSA-N -1 3 221.260 0.820 20 0 BCADHM Cc1nc([N-]C(=O)c2cncs2)nn1C ZINC000294253727 180014403 /nfs/dbraw/zinc/01/44/03/180014403.db2.gz PBGCIVAKCODOTO-UHFFFAOYSA-N -1 3 223.261 0.832 20 0 BCADHM Cc1nc([N-]C(=O)c2coc(C(N)=O)c2)n[nH]1 ZINC000353681075 180014621 /nfs/dbraw/zinc/01/46/21/180014621.db2.gz VKVCMBMHFAFWLM-UHFFFAOYSA-N -1 3 235.203 0.057 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C(F)F ZINC000194733529 180026489 /nfs/dbraw/zinc/02/64/89/180026489.db2.gz SAKQTEHGCGPHMD-UHFFFAOYSA-N -1 3 219.147 0.400 20 0 BCADHM COc1nnc(NC(=O)c2ccc(F)cn2)[n-]1 ZINC000131559514 191016062 /nfs/dbraw/zinc/01/60/62/191016062.db2.gz TZDLYGNADOZQIS-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COc1nc(NC(=O)c2ccc(F)cn2)n[n-]1 ZINC000131559514 191016065 /nfs/dbraw/zinc/01/60/65/191016065.db2.gz TZDLYGNADOZQIS-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccc(F)cn2)n1 ZINC000131559514 191016068 /nfs/dbraw/zinc/01/60/68/191016068.db2.gz TZDLYGNADOZQIS-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1C ZINC000091437567 191026326 /nfs/dbraw/zinc/02/63/26/191026326.db2.gz KMYWQUXADCJROL-NXEZZACHSA-N -1 3 249.314 1.000 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCC(=O)N(C)C ZINC000623531460 362949913 /nfs/dbraw/zinc/94/99/13/362949913.db2.gz AXSRFAKTULQAPS-UHFFFAOYSA-N -1 3 236.271 0.519 20 0 BCADHM C[C@@H](O)CS(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000427059748 191052255 /nfs/dbraw/zinc/05/22/55/191052255.db2.gz NSSAPDOWOQUSNA-ZCFIWIBFSA-N -1 3 230.289 0.053 20 0 BCADHM Cc1cnc(C(=O)N[C@H](C)c2nnc[nH]2)c([O-])c1 ZINC000427222903 191056630 /nfs/dbraw/zinc/05/66/30/191056630.db2.gz CMEBUTNGDGTXRL-SSDOTTSWSA-N -1 3 247.258 0.705 20 0 BCADHM Cc1cnc(C(=O)N[C@@H](C)c2nnc[nH]2)c([O-])c1 ZINC000427222905 191056728 /nfs/dbraw/zinc/05/67/28/191056728.db2.gz CMEBUTNGDGTXRL-ZETCQYMHSA-N -1 3 247.258 0.705 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-]CCN(C)C)s1 ZINC000269931085 180171319 /nfs/dbraw/zinc/17/13/19/180171319.db2.gz CUVJDEQIRMBLKA-UHFFFAOYSA-N -1 3 249.361 0.291 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)CO)s1 ZINC000229630605 180172143 /nfs/dbraw/zinc/17/21/43/180172143.db2.gz DZUAOHDMTXBNJP-YFKPBYRVSA-N -1 3 236.318 0.111 20 0 BCADHM Cc1ncc(CNC(=O)NCC(C)C)c(=O)[n-]1 ZINC000342223025 180148652 /nfs/dbraw/zinc/14/86/52/180148652.db2.gz VVTKYHJJBKOFLR-UHFFFAOYSA-N -1 3 238.291 0.946 20 0 BCADHM CCCCS(=O)(=O)[N-]C[C@@H](O)C(F)(F)F ZINC000218973955 350278175 /nfs/dbraw/zinc/27/81/75/350278175.db2.gz PVMPHRRIEQWBME-ZCFIWIBFSA-N -1 3 249.254 0.629 20 0 BCADHM Cc1ncc(CNC(=O)c2ccncn2)c(=O)[n-]1 ZINC000427912808 191100815 /nfs/dbraw/zinc/10/08/15/191100815.db2.gz JEHMUSIZXSVLCU-UHFFFAOYSA-N -1 3 245.242 0.211 20 0 BCADHM Cc1nn(C)c(C)c1[N-]S(=O)(=O)C1CC1 ZINC000331563825 180343289 /nfs/dbraw/zinc/34/32/89/180343289.db2.gz XMISBZKHCLZOAM-UHFFFAOYSA-N -1 3 229.305 0.941 20 0 BCADHM O=S(=O)([N-]Cc1cccs1)c1c[nH]cn1 ZINC000069947990 350462341 /nfs/dbraw/zinc/46/23/41/350462341.db2.gz KHAROXODFZCSTD-UHFFFAOYSA-N -1 3 243.313 0.950 20 0 BCADHM CC[C@H](NC(=O)Cc1cncc([O-])c1)[C@@H](C)O ZINC000577507234 365972518 /nfs/dbraw/zinc/97/25/18/365972518.db2.gz UEZZONUNSQJVAL-KCJUWKMLSA-N -1 3 238.287 0.605 20 0 BCADHM CSc1nnc(NC(=O)C[C@@H]2CCOC2)[n-]1 ZINC000606840182 350616180 /nfs/dbraw/zinc/61/61/80/350616180.db2.gz AQLJPPQHFJQBNE-LURJTMIESA-N -1 3 242.304 0.892 20 0 BCADHM CSc1n[n-]c(NC(=O)C[C@@H]2CCOC2)n1 ZINC000606840182 350616181 /nfs/dbraw/zinc/61/61/81/350616181.db2.gz AQLJPPQHFJQBNE-LURJTMIESA-N -1 3 242.304 0.892 20 0 BCADHM CSc1nc(NC(=O)C[C@@H]2CCOC2)n[n-]1 ZINC000606840182 350616184 /nfs/dbraw/zinc/61/61/84/350616184.db2.gz AQLJPPQHFJQBNE-LURJTMIESA-N -1 3 242.304 0.892 20 0 BCADHM CN(C)C(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000095179196 350656545 /nfs/dbraw/zinc/65/65/45/350656545.db2.gz LEUHISDQLIEQTD-UHFFFAOYSA-N -1 3 247.258 0.334 20 0 BCADHM CN(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000095179196 350656547 /nfs/dbraw/zinc/65/65/47/350656547.db2.gz LEUHISDQLIEQTD-UHFFFAOYSA-N -1 3 247.258 0.334 20 0 BCADHM O=C(N[C@H](CO)C1CCC1)c1csc(=O)[n-]1 ZINC000617310100 350719370 /nfs/dbraw/zinc/71/93/70/350719370.db2.gz PGCDCGJMZDAUAG-SSDOTTSWSA-N -1 3 242.300 0.740 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@H](O)C1 ZINC000621298379 350724220 /nfs/dbraw/zinc/72/42/20/350724220.db2.gz UFSJSJVTPQOGBM-QMMMGPOBSA-N -1 3 240.234 0.523 20 0 BCADHM CC[C@@H](COCC1CC1)NC(=O)c1c[n-]nn1 ZINC000617328351 350742170 /nfs/dbraw/zinc/74/21/70/350742170.db2.gz DXHIEARLFJMNPB-VIFPVBQESA-N -1 3 238.291 0.740 20 0 BCADHM CC[C@@H](COCC1CC1)NC(=O)c1cnn[n-]1 ZINC000617328351 350742173 /nfs/dbraw/zinc/74/21/73/350742173.db2.gz DXHIEARLFJMNPB-VIFPVBQESA-N -1 3 238.291 0.740 20 0 BCADHM CC[C@@H](COCC1CC1)NC(=O)c1cn[n-]n1 ZINC000617328351 350742176 /nfs/dbraw/zinc/74/21/76/350742176.db2.gz DXHIEARLFJMNPB-VIFPVBQESA-N -1 3 238.291 0.740 20 0 BCADHM CC[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@H]1O ZINC000626293352 350899369 /nfs/dbraw/zinc/89/93/69/350899369.db2.gz ADJUTVFHVMYLBG-IONNQARKSA-N -1 3 237.259 0.025 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCOC[C@H]1C1CC1 ZINC000626294598 350900303 /nfs/dbraw/zinc/90/03/03/350900303.db2.gz WYURUCMERVZNLY-JTQLQIEISA-N -1 3 249.270 0.433 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)CCO1 ZINC000626337863 350987756 /nfs/dbraw/zinc/98/77/56/350987756.db2.gz IKVAUEAACKQNQO-SFYZADRCSA-N -1 3 237.259 0.480 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC[C@H]2CNC(=O)C2)c1 ZINC000398336402 351037251 /nfs/dbraw/zinc/03/72/51/351037251.db2.gz KRILGMYHODYCNJ-SECBINFHSA-N -1 3 248.282 0.567 20 0 BCADHM CCC[C@@H](C)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000642251084 362992031 /nfs/dbraw/zinc/99/20/31/362992031.db2.gz ODYOTDQSWAPXAE-SSDOTTSWSA-N -1 3 239.275 0.404 20 0 BCADHM O=C(NC[C@H]1CCC[C@H](O)C1)c1c[n-]nn1 ZINC000122627555 191138465 /nfs/dbraw/zinc/13/84/65/191138465.db2.gz HZOMPDWQJRKIHK-YUMQZZPRSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@H]1CCC[C@H](O)C1)c1cnn[n-]1 ZINC000122627555 191138467 /nfs/dbraw/zinc/13/84/67/191138467.db2.gz HZOMPDWQJRKIHK-YUMQZZPRSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@H]1CCC[C@H](O)C1)c1cn[n-]n1 ZINC000122627555 191138468 /nfs/dbraw/zinc/13/84/68/191138468.db2.gz HZOMPDWQJRKIHK-YUMQZZPRSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@@H](C)N1 ZINC000637840372 351695738 /nfs/dbraw/zinc/69/57/38/351695738.db2.gz PEWYEQQPOACYIY-HTQZYQBOSA-N -1 3 236.275 0.005 20 0 BCADHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccccn2)C1 ZINC000340080817 351882800 /nfs/dbraw/zinc/88/28/00/351882800.db2.gz LETRPTXGIBPJEP-SECBINFHSA-N -1 3 241.316 0.064 20 0 BCADHM CN1CCO[C@H](C(=O)Nc2ccncc2[O-])C1 ZINC000124994849 191143756 /nfs/dbraw/zinc/14/37/56/191143756.db2.gz HYOZLEMMAVLDJI-JTQLQIEISA-N -1 3 237.259 0.056 20 0 BCADHM O=C([O-])C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000083884189 351970927 /nfs/dbraw/zinc/97/09/27/351970927.db2.gz OHNXXBFWEJTPQL-SNVBAGLBSA-N -1 3 240.303 0.548 20 0 BCADHM CC(C)[C@H](NC(=O)c1cnns1)C(=O)[O-] ZINC000035687503 187586936 /nfs/dbraw/zinc/58/69/36/187586936.db2.gz PTRIVZZCQGIBID-LURJTMIESA-N -1 3 229.261 0.377 20 0 BCADHM C[C@@]1(C(=O)Nc2ccccc2[O-])CNCCO1 ZINC000638171272 352037644 /nfs/dbraw/zinc/03/76/44/352037644.db2.gz VYHYJWFCASVSAO-LBPRGKRZSA-N -1 3 236.271 0.709 20 0 BCADHM CN(C)S(=O)(=O)Nc1c([O-])cccc1F ZINC000608004239 352591428 /nfs/dbraw/zinc/59/14/28/352591428.db2.gz DFTMPNHSIROPCN-UHFFFAOYSA-N -1 3 234.252 0.750 20 0 BCADHM C[C@@]1(CCNC(=O)c2c[n-]nn2)CC1(F)F ZINC000618625555 352649581 /nfs/dbraw/zinc/64/95/81/352649581.db2.gz CDZGNSPIEWKERP-MRVPVSSYSA-N -1 3 230.218 0.970 20 0 BCADHM C[C@@]1(CCNC(=O)c2cnn[n-]2)CC1(F)F ZINC000618625555 352649585 /nfs/dbraw/zinc/64/95/85/352649585.db2.gz CDZGNSPIEWKERP-MRVPVSSYSA-N -1 3 230.218 0.970 20 0 BCADHM C[C@@]1(CCNC(=O)c2cn[n-]n2)CC1(F)F ZINC000618625555 352649586 /nfs/dbraw/zinc/64/95/86/352649586.db2.gz CDZGNSPIEWKERP-MRVPVSSYSA-N -1 3 230.218 0.970 20 0 BCADHM CNC(=O)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000398535670 352664779 /nfs/dbraw/zinc/66/47/79/352664779.db2.gz YVWVWJZILMHJFT-SECBINFHSA-N -1 3 248.282 0.600 20 0 BCADHM CCCNCCN=c1nc(CCOC)[n-]s1 ZINC000420210439 192175856 /nfs/dbraw/zinc/17/58/56/192175856.db2.gz DFQCRLSSBVGNEY-UHFFFAOYSA-N -1 3 244.364 0.560 20 0 BCADHM CC(C)CCN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000334235129 352852742 /nfs/dbraw/zinc/85/27/42/352852742.db2.gz GYQQYIXHTOAJGM-VIFPVBQESA-N -1 3 225.292 0.269 20 0 BCADHM CC(C)CCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000334235129 352852746 /nfs/dbraw/zinc/85/27/46/352852746.db2.gz GYQQYIXHTOAJGM-VIFPVBQESA-N -1 3 225.292 0.269 20 0 BCADHM CCc1ccc(C(=O)N[C@@H]2CNC(=O)C2)c([O-])c1 ZINC000334228814 352846148 /nfs/dbraw/zinc/84/61/48/352846148.db2.gz HIRYTTBNLAGPLN-VIFPVBQESA-N -1 3 248.282 0.573 20 0 BCADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCC1 ZINC000334283390 352924250 /nfs/dbraw/zinc/92/42/50/352924250.db2.gz IZQVTBWQLHDLEJ-UHFFFAOYSA-N -1 3 234.255 0.354 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CC(CCO)C1 ZINC000343041858 352952154 /nfs/dbraw/zinc/95/21/54/352952154.db2.gz HBCMRNJSMUQVFS-UHFFFAOYSA-N -1 3 246.270 0.412 20 0 BCADHM COC[C@@H](N=c1ncnc2[nH][n-]cc1-2)C(C)C ZINC000608088209 353074268 /nfs/dbraw/zinc/07/42/68/353074268.db2.gz NLCPGURZAVBDON-SECBINFHSA-N -1 3 235.291 0.809 20 0 BCADHM C[C@H](O)C[C@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626421978 353106230 /nfs/dbraw/zinc/10/62/30/353106230.db2.gz QSQXSTLPHPGPHZ-BQBZGAKWSA-N -1 3 225.248 0.071 20 0 BCADHM CC(C)[C@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000188716472 188002603 /nfs/dbraw/zinc/00/26/03/188002603.db2.gz AEBZPXNBXLBPNE-MRVPVSSYSA-N -1 3 233.289 0.575 20 0 BCADHM O=C(Nc1ncccc1[O-])c1cn(C2CC2)nn1 ZINC000626423941 353112952 /nfs/dbraw/zinc/11/29/52/353112952.db2.gz YNBLMKAXIUSIKC-UHFFFAOYSA-N -1 3 245.242 0.966 20 0 BCADHM COC1CC(N(C)c2nc3nncc-3c(O)[n-]2)C1 ZINC000343257182 353252689 /nfs/dbraw/zinc/25/26/89/353252689.db2.gz XWBPIJYTSRMEKS-UHFFFAOYSA-N -1 3 249.274 0.672 20 0 BCADHM CC[C@@H](O)CC(=O)Nc1ncccc1[O-] ZINC000331331275 353240957 /nfs/dbraw/zinc/24/09/57/353240957.db2.gz OPSCJEIFMJZALH-SSDOTTSWSA-N -1 3 210.233 0.887 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCCOCC2)n[n-]1 ZINC000373335876 188249668 /nfs/dbraw/zinc/24/96/68/188249668.db2.gz CZOKHBWGVLJMDE-SSDOTTSWSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCCOCC2)[n-]1 ZINC000373335876 188249669 /nfs/dbraw/zinc/24/96/69/188249669.db2.gz CZOKHBWGVLJMDE-SSDOTTSWSA-N -1 3 240.263 0.569 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCCOCC2)n1 ZINC000373335876 188249671 /nfs/dbraw/zinc/24/96/71/188249671.db2.gz CZOKHBWGVLJMDE-SSDOTTSWSA-N -1 3 240.263 0.569 20 0 BCADHM CC1(C)C[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000336758452 188347988 /nfs/dbraw/zinc/34/79/88/188347988.db2.gz KPNPDPANDOTLNT-SSDOTTSWSA-N -1 3 203.249 0.937 20 0 BCADHM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1ccco1 ZINC000276567929 188380196 /nfs/dbraw/zinc/38/01/96/188380196.db2.gz AIMNJICIYZMIOR-MRVPVSSYSA-N -1 3 247.316 0.965 20 0 BCADHM COc1nnc(NC(=O)c2cc(C)nnc2C)[n-]1 ZINC000135884969 538117383 /nfs/dbraw/zinc/11/73/83/538117383.db2.gz TUXVLLDZTUITTG-UHFFFAOYSA-N -1 3 248.246 0.472 20 0 BCADHM COc1nc(NC(=O)c2cc(C)nnc2C)n[n-]1 ZINC000135884969 538117384 /nfs/dbraw/zinc/11/73/84/538117384.db2.gz TUXVLLDZTUITTG-UHFFFAOYSA-N -1 3 248.246 0.472 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(C)nnc2C)n1 ZINC000135884969 538117385 /nfs/dbraw/zinc/11/73/85/538117385.db2.gz TUXVLLDZTUITTG-UHFFFAOYSA-N -1 3 248.246 0.472 20 0 BCADHM C[C@@]1(O)C[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000642300776 363230120 /nfs/dbraw/zinc/23/01/20/363230120.db2.gz SKXCTVKPIDUORS-XGAOUMNUSA-N -1 3 219.248 0.052 20 0 BCADHM Cc1cc(C(=O)N2C[C@H](C)[C@@H]2C)[n-]c(=O)n1 ZINC000294111876 188392434 /nfs/dbraw/zinc/39/24/34/188392434.db2.gz NADLDIHESXRDSY-XPUUQOCRSA-N -1 3 221.260 0.971 20 0 BCADHM CC(C)C[C@H](C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297797909 188394572 /nfs/dbraw/zinc/39/45/72/188394572.db2.gz ONRGATZXCKLMCN-LURJTMIESA-N -1 3 239.279 0.524 20 0 BCADHM CC(C)C[C@H](C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297797909 188394574 /nfs/dbraw/zinc/39/45/74/188394574.db2.gz ONRGATZXCKLMCN-LURJTMIESA-N -1 3 239.279 0.524 20 0 BCADHM CC(C)C[C@H](C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297797909 188394576 /nfs/dbraw/zinc/39/45/76/188394576.db2.gz ONRGATZXCKLMCN-LURJTMIESA-N -1 3 239.279 0.524 20 0 BCADHM CCCCN(CCCO)Cc1nc(=O)n(C)[n-]1 ZINC000347649078 535253445 /nfs/dbraw/zinc/25/34/45/535253445.db2.gz ZMPJGDDNNWWIAY-UHFFFAOYSA-N -1 3 242.323 0.093 20 0 BCADHM O=C(NCc1ncccc1[O-])Nc1ccncn1 ZINC000344086732 354137427 /nfs/dbraw/zinc/13/74/27/354137427.db2.gz GRRARGNYZCMLGU-UHFFFAOYSA-N -1 3 245.242 0.899 20 0 BCADHM CO[C@@H](C)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344127874 354146775 /nfs/dbraw/zinc/14/67/75/354146775.db2.gz WZMKGFUFKIYIBD-DTWKUNHWSA-N -1 3 240.307 0.725 20 0 BCADHM Cc1ccc([O-])c(CN2CCn3nncc3C2)n1 ZINC000577963698 366148163 /nfs/dbraw/zinc/14/81/63/366148163.db2.gz LCHQATGCFNFSPJ-UHFFFAOYSA-N -1 3 245.286 0.703 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)CCCCF ZINC000344550131 354316321 /nfs/dbraw/zinc/31/63/21/354316321.db2.gz FHPGRPNHJIGNNZ-UHFFFAOYSA-N -1 3 241.284 0.219 20 0 BCADHM C[C@H]1CCN(S(=O)(=O)[N-]CC(F)F)C1 ZINC000334733966 354534512 /nfs/dbraw/zinc/53/45/12/354534512.db2.gz NBRGZJDQQRWHOG-LURJTMIESA-N -1 3 228.264 0.428 20 0 BCADHM COCCCC(=O)Nc1ccncc1[O-] ZINC000345362362 354633367 /nfs/dbraw/zinc/63/33/67/354633367.db2.gz UPOGDMZSGQKPKP-UHFFFAOYSA-N -1 3 210.233 0.574 20 0 BCADHM CCC[C@](C)(NCc1cn(C)nn1)C(=O)[O-] ZINC000233396006 363400972 /nfs/dbraw/zinc/40/09/72/363400972.db2.gz MCMNTCVAYWCUOS-JTQLQIEISA-N -1 3 226.280 0.548 20 0 BCADHM C[C@H]1CSC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627161468 363402190 /nfs/dbraw/zinc/40/21/90/363402190.db2.gz XCSPABXPQKXOPI-XPUUQOCRSA-N -1 3 239.300 0.664 20 0 BCADHM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000225771576 535273580 /nfs/dbraw/zinc/27/35/80/535273580.db2.gz AHOWGMPGXFSFSJ-UHFFFAOYSA-N -1 3 247.320 0.238 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)C1CC(C)(C)C1 ZINC000335239608 355101600 /nfs/dbraw/zinc/10/16/00/355101600.db2.gz LMMRWMPSGWQZSJ-UHFFFAOYSA-N -1 3 224.308 0.729 20 0 BCADHM CCn1ccc(CN=c2ncnc3[nH][n-]cc2-3)n1 ZINC000413490080 191389455 /nfs/dbraw/zinc/38/94/55/191389455.db2.gz IBWKPOAEWONGJW-UHFFFAOYSA-N -1 3 243.274 0.555 20 0 BCADHM CCO[C@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000413384729 191378069 /nfs/dbraw/zinc/37/80/69/191378069.db2.gz FXEONLMRDYRGTO-OCAPTIKFSA-N -1 3 233.275 0.706 20 0 BCADHM Cc1ccc([O-])c(CN2CC(C)(O)C2)n1 ZINC000639253576 355290992 /nfs/dbraw/zinc/29/09/92/355290992.db2.gz BGWJVGHLPRCXCD-UHFFFAOYSA-N -1 3 208.261 0.662 20 0 BCADHM CCOCCNC(=O)c1c([O-])cccc1O ZINC000125692048 324647657 /nfs/dbraw/zinc/64/76/57/324647657.db2.gz UPLGRTJWGVDCCI-UHFFFAOYSA-N -1 3 225.244 0.864 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)C1(C)CCCC1 ZINC000335832654 355560182 /nfs/dbraw/zinc/56/01/82/355560182.db2.gz ARQIEGJNXNYOIW-UHFFFAOYSA-N -1 3 224.308 0.873 20 0 BCADHM CC(C)[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335839460 355570078 /nfs/dbraw/zinc/57/00/78/355570078.db2.gz ZRDNHAULAOOOCQ-SNVBAGLBSA-N -1 3 238.335 0.976 20 0 BCADHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000335878117 355648778 /nfs/dbraw/zinc/64/87/78/355648778.db2.gz UFYUBQUVIYRRJD-MRVPVSSYSA-N -1 3 230.289 0.262 20 0 BCADHM CC[C@@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CCCO1 ZINC000329433087 355920686 /nfs/dbraw/zinc/92/06/86/355920686.db2.gz LBAMUOJVZATXAU-RKDXNWHRSA-N -1 3 240.307 0.156 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)[C@H]1CCCOC1 ZINC000389267786 355943782 /nfs/dbraw/zinc/94/37/82/355943782.db2.gz DTNOJVVEGUMIMC-YUMQZZPRSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)[C@H]1CCCOC1 ZINC000389267786 355943784 /nfs/dbraw/zinc/94/37/84/355943784.db2.gz DTNOJVVEGUMIMC-YUMQZZPRSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CCCOC1 ZINC000389267786 355943786 /nfs/dbraw/zinc/94/37/86/355943786.db2.gz DTNOJVVEGUMIMC-YUMQZZPRSA-N -1 3 224.264 0.350 20 0 BCADHM NC(=O)CCCC(=O)[N-]OC/C=C/Cl ZINC000291972947 181220657 /nfs/dbraw/zinc/22/06/57/181220657.db2.gz YNFMZYUHKGLMGG-GORDUTHDSA-N -1 3 220.656 0.442 20 0 BCADHM C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000351584100 356021924 /nfs/dbraw/zinc/02/19/24/356021924.db2.gz VXYSKZBAHMIPQW-YAJNLLPGSA-N -1 3 245.304 0.015 20 0 BCADHM NC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000265183267 181251611 /nfs/dbraw/zinc/25/16/11/181251611.db2.gz RZRXJUOJEBGBBM-MRVPVSSYSA-N -1 3 249.270 0.275 20 0 BCADHM NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000002528816 181251644 /nfs/dbraw/zinc/25/16/44/181251644.db2.gz FSXCILFXIPOXMG-UHFFFAOYSA-N -1 3 249.270 0.229 20 0 BCADHM CC[C@H](C)CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000617637057 356232744 /nfs/dbraw/zinc/23/27/44/356232744.db2.gz MTPGIHPGJCJOOH-QMMMGPOBSA-N -1 3 241.291 0.091 20 0 BCADHM CC[C@@H](C)CCNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000617638337 356241178 /nfs/dbraw/zinc/24/11/78/356241178.db2.gz LOQKCRDFYIBMEL-SFYZADRCSA-N -1 3 241.291 0.137 20 0 BCADHM COc1cc(C(=O)NC/C=C\CO)ccc1[O-] ZINC000617685061 356282998 /nfs/dbraw/zinc/28/29/98/356282998.db2.gz IIXXXQYLJSQLET-IHWYPQMZSA-N -1 3 237.255 0.679 20 0 BCADHM NC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000052076935 181268271 /nfs/dbraw/zinc/26/82/71/181268271.db2.gz RRQNEAZSYVSDOB-JTQLQIEISA-N -1 3 248.282 0.872 20 0 BCADHM NC(=O)[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000020295373 181282604 /nfs/dbraw/zinc/28/26/04/181282604.db2.gz GFWAMZCIXOTMCX-SNVBAGLBSA-N -1 3 234.255 0.482 20 0 BCADHM CO[C@H](C(=O)[N-]c1nncn1C)C1CCC1 ZINC000613537724 363479308 /nfs/dbraw/zinc/47/93/08/363479308.db2.gz IOOJOXLECDQMKF-QMMMGPOBSA-N -1 3 224.264 0.569 20 0 BCADHM CC(C)(O)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000449960776 202060074 /nfs/dbraw/zinc/06/00/74/202060074.db2.gz RKBJBDCCYQRUTK-UHFFFAOYSA-N -1 3 241.262 0.961 20 0 BCADHM CN(C(=O)Cc1cncc([O-])c1)c1ccn(C)n1 ZINC000613610078 363535260 /nfs/dbraw/zinc/53/52/60/363535260.db2.gz SINRFTPCFZZCBO-UHFFFAOYSA-N -1 3 246.270 0.726 20 0 BCADHM O=C(NC[C@H]1CCc2cccnc21)c1c[n-]nn1 ZINC000623312218 356623842 /nfs/dbraw/zinc/62/38/42/356623842.db2.gz HIFPQNGXVOLFSX-SECBINFHSA-N -1 3 243.270 0.660 20 0 BCADHM O=C(NC[C@H]1CCc2cccnc21)c1cnn[n-]1 ZINC000623312218 356623847 /nfs/dbraw/zinc/62/38/47/356623847.db2.gz HIFPQNGXVOLFSX-SECBINFHSA-N -1 3 243.270 0.660 20 0 BCADHM O=C(NC[C@H]1CCc2cccnc21)c1cn[n-]n1 ZINC000623312218 356623850 /nfs/dbraw/zinc/62/38/50/356623850.db2.gz HIFPQNGXVOLFSX-SECBINFHSA-N -1 3 243.270 0.660 20 0 BCADHM O=C1CN(Cc2nc(-c3ccoc3)no2)C(=O)[N-]1 ZINC000350815572 366342442 /nfs/dbraw/zinc/34/24/42/366342442.db2.gz FDFVXAQRCPOMFR-UHFFFAOYSA-N -1 3 248.198 0.381 20 0 BCADHM CCc1nnc(CN=c2ncnc3[nH][n-]cc2-3)[nH]1 ZINC000450555101 202196274 /nfs/dbraw/zinc/19/62/74/202196274.db2.gz SQBKYUAIWLSQER-UHFFFAOYSA-N -1 3 244.262 0.019 20 0 BCADHM CCO[C@@H](C(=O)[N-]c1nncn1C)C1CC1 ZINC000626466129 356999387 /nfs/dbraw/zinc/99/93/87/356999387.db2.gz KFKQSWNBTVYZIA-MRVPVSSYSA-N -1 3 224.264 0.569 20 0 BCADHM CNC(=O)C1CN(C(=O)c2c(C)cccc2[O-])C1 ZINC000626480900 357039488 /nfs/dbraw/zinc/03/94/88/357039488.db2.gz ZZLPUFMRMYEVGW-UHFFFAOYSA-N -1 3 248.282 0.519 20 0 BCADHM C/C=C/C[C@@H](CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626492692 357085391 /nfs/dbraw/zinc/08/53/91/357085391.db2.gz ATHJQRPHSBDWEB-SGJFDWMWSA-N -1 3 237.259 0.239 20 0 BCADHM O[C@@H]1CCCCC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000582352758 357097900 /nfs/dbraw/zinc/09/79/00/357097900.db2.gz WUOSYAUXXVDFOK-NXEZZACHSA-N -1 3 247.302 0.832 20 0 BCADHM CCCCN1CCO[C@@H](CC(=O)[O-])C1 ZINC000085617744 357120005 /nfs/dbraw/zinc/12/00/05/357120005.db2.gz ABNUVCJYHQKAKS-VIFPVBQESA-N -1 3 201.266 0.962 20 0 BCADHM COCc1noc(-c2c[n-]c(C(=O)OC)c2)n1 ZINC000582397144 357128803 /nfs/dbraw/zinc/12/88/03/357128803.db2.gz QTMIAEYEDYHDRE-UHFFFAOYSA-N -1 3 237.215 0.998 20 0 BCADHM O=S(=O)([N-]CCCF)c1ccoc1 ZINC000393566608 357287399 /nfs/dbraw/zinc/28/73/99/357287399.db2.gz UGGWQNAZGJBCSF-UHFFFAOYSA-N -1 3 207.226 0.918 20 0 BCADHM CCOCC(C)(C)NC(=O)c1c[n-]nn1 ZINC000393634294 357291608 /nfs/dbraw/zinc/29/16/08/357291608.db2.gz LQFCNMCWWOLBOW-UHFFFAOYSA-N -1 3 212.253 0.350 20 0 BCADHM CCOCC(C)(C)NC(=O)c1cnn[n-]1 ZINC000393634294 357291611 /nfs/dbraw/zinc/29/16/11/357291611.db2.gz LQFCNMCWWOLBOW-UHFFFAOYSA-N -1 3 212.253 0.350 20 0 BCADHM CCOCC(C)(C)NC(=O)c1cn[n-]n1 ZINC000393634294 357291614 /nfs/dbraw/zinc/29/16/14/357291614.db2.gz LQFCNMCWWOLBOW-UHFFFAOYSA-N -1 3 212.253 0.350 20 0 BCADHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000393815711 357302545 /nfs/dbraw/zinc/30/25/45/357302545.db2.gz GPAASCDUYNAPBN-ZCFIWIBFSA-N -1 3 247.345 0.582 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CCC1 ZINC000157572925 538830830 /nfs/dbraw/zinc/83/08/30/538830830.db2.gz LDSLLOBMUYBTHQ-SSDOTTSWSA-N -1 3 229.305 0.877 20 0 BCADHM CN1CCCN(C(=O)c2cccc([O-])c2)CC1=O ZINC000191697917 357800590 /nfs/dbraw/zinc/80/05/90/357800590.db2.gz KGKBJCHAGLHBBB-UHFFFAOYSA-N -1 3 248.282 0.697 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000583308463 357890590 /nfs/dbraw/zinc/89/05/90/357890590.db2.gz HIBRWCKVHRAVKD-LYFYHCNISA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000583308463 357890592 /nfs/dbraw/zinc/89/05/92/357890592.db2.gz HIBRWCKVHRAVKD-LYFYHCNISA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000583308463 357890594 /nfs/dbraw/zinc/89/05/94/357890594.db2.gz HIBRWCKVHRAVKD-LYFYHCNISA-N -1 3 249.274 0.278 20 0 BCADHM C[C@H]([N-]S(C)(=O)=O)c1nc([C@@H]2C[C@H]2C)no1 ZINC000546474624 325282041 /nfs/dbraw/zinc/28/20/41/325282041.db2.gz BWOZBFOFSGXTLW-DSYKOEDSSA-N -1 3 245.304 0.803 20 0 BCADHM CC[C@H]1CN(Cc2ncccc2[O-])C[C@H]1O ZINC000584436966 357920702 /nfs/dbraw/zinc/92/07/02/357920702.db2.gz KGGKINCZXASUMO-JOYOIKCWSA-N -1 3 222.288 0.990 20 0 BCADHM O=C(NCC1(CO)CCCC1)c1c[n-]nn1 ZINC000168792074 134247730 /nfs/dbraw/zinc/24/77/30/134247730.db2.gz HKMDAGSZFRZDIV-UHFFFAOYSA-N -1 3 224.264 0.087 20 0 BCADHM O=C(NCC1(CO)CCCC1)c1cnn[n-]1 ZINC000168792074 134247731 /nfs/dbraw/zinc/24/77/31/134247731.db2.gz HKMDAGSZFRZDIV-UHFFFAOYSA-N -1 3 224.264 0.087 20 0 BCADHM O=C(NCC1(CO)CCCC1)c1cn[n-]n1 ZINC000168792074 134247732 /nfs/dbraw/zinc/24/77/32/134247732.db2.gz HKMDAGSZFRZDIV-UHFFFAOYSA-N -1 3 224.264 0.087 20 0 BCADHM CC[C@@H]([N-]S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000610784905 358156527 /nfs/dbraw/zinc/15/65/27/358156527.db2.gz RNEBHJITUXXKRL-SSDOTTSWSA-N -1 3 237.321 0.656 20 0 BCADHM CC(C)(CO)CCN=c1ncnc2[nH][n-]cc1-2 ZINC000450629630 202217153 /nfs/dbraw/zinc/21/71/53/202217153.db2.gz OXNGDHYKURJLPR-UHFFFAOYSA-N -1 3 235.291 0.547 20 0 BCADHM CN(C[C@@H]1CCCN1C)c1nc(C(=O)[O-])co1 ZINC000228317511 358374142 /nfs/dbraw/zinc/37/41/42/358374142.db2.gz ARTNKXWTQGBSLD-QMMMGPOBSA-N -1 3 239.275 0.903 20 0 BCADHM O=S(=O)([N-]CC[C@H]1CCOC1)c1c[nH]cn1 ZINC000230140709 358394806 /nfs/dbraw/zinc/39/48/06/358394806.db2.gz CXACWNQQYCUIEJ-QMMMGPOBSA-N -1 3 245.304 0.115 20 0 BCADHM CC[C@@H](C)CC(=O)N(CCN(C)C)CC(=O)[O-] ZINC000230737894 358411066 /nfs/dbraw/zinc/41/10/66/358411066.db2.gz RSLQWPTXGNPPOF-SNVBAGLBSA-N -1 3 244.335 0.897 20 0 BCADHM CC[C@H](C)CC(=O)N(CCN(C)C)CC(=O)[O-] ZINC000230737896 358411090 /nfs/dbraw/zinc/41/10/90/358411090.db2.gz RSLQWPTXGNPPOF-JTQLQIEISA-N -1 3 244.335 0.897 20 0 BCADHM CC(C)CC[C@](C)(O)CNC(=O)c1c[n-]nn1 ZINC000174485924 134281795 /nfs/dbraw/zinc/28/17/95/134281795.db2.gz VKJFBVHWSDOSNE-NSHDSACASA-N -1 3 240.307 0.722 20 0 BCADHM CC(C)CC[C@](C)(O)CNC(=O)c1cnn[n-]1 ZINC000174485924 134281796 /nfs/dbraw/zinc/28/17/96/134281796.db2.gz VKJFBVHWSDOSNE-NSHDSACASA-N -1 3 240.307 0.722 20 0 BCADHM CC(C)CC[C@](C)(O)CNC(=O)c1cn[n-]n1 ZINC000174485924 134281797 /nfs/dbraw/zinc/28/17/97/134281797.db2.gz VKJFBVHWSDOSNE-NSHDSACASA-N -1 3 240.307 0.722 20 0 BCADHM CCOC(=O)[C@@H](N)C(=O)Nc1ccccc1[O-] ZINC000224128619 358525709 /nfs/dbraw/zinc/52/57/09/358525709.db2.gz BXNVWKQNADJIIO-VIFPVBQESA-N -1 3 238.243 0.221 20 0 BCADHM O=C(CNC(=O)c1c[n-]nn1)Nc1ccccc1 ZINC000049317371 358682609 /nfs/dbraw/zinc/68/26/09/358682609.db2.gz GVDIEJOGYXDNCY-UHFFFAOYSA-N -1 3 245.242 0.173 20 0 BCADHM O=C(CNC(=O)c1cnn[n-]1)Nc1ccccc1 ZINC000049317371 358682612 /nfs/dbraw/zinc/68/26/12/358682612.db2.gz GVDIEJOGYXDNCY-UHFFFAOYSA-N -1 3 245.242 0.173 20 0 BCADHM O=C(CNC(=O)c1cn[n-]n1)Nc1ccccc1 ZINC000049317371 358682615 /nfs/dbraw/zinc/68/26/15/358682615.db2.gz GVDIEJOGYXDNCY-UHFFFAOYSA-N -1 3 245.242 0.173 20 0 BCADHM CN(C)Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351366727 366518599 /nfs/dbraw/zinc/51/85/99/366518599.db2.gz HMGDWTQEXIAGQS-UHFFFAOYSA-N -1 3 221.220 0.294 20 0 BCADHM CC(C)(O)Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351381154 366520265 /nfs/dbraw/zinc/52/02/65/366520265.db2.gz YMNJRWVKWVLNBV-UHFFFAOYSA-N -1 3 236.231 0.546 20 0 BCADHM CN(CC1(CO)CC1)C(=O)c1cc(=O)[n-]cn1 ZINC000626594883 358975111 /nfs/dbraw/zinc/97/51/11/358975111.db2.gz DMVVIDGLOGUKTL-UHFFFAOYSA-N -1 3 237.259 0.027 20 0 BCADHM Cc1ncc(CC(=O)NCc2ncccc2[O-])o1 ZINC000640247470 359027304 /nfs/dbraw/zinc/02/73/04/359027304.db2.gz YCTICQIFUNRTLP-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM CC1CCN(CCOCC(=O)[O-])CC1 ZINC000086687253 359352217 /nfs/dbraw/zinc/35/22/17/359352217.db2.gz DAPVVXITLVJMJJ-UHFFFAOYSA-N -1 3 201.266 0.820 20 0 BCADHM CO[C@@H]1CN(C(=O)c2cccc([O-])c2)CCO1 ZINC000613819464 363652453 /nfs/dbraw/zinc/65/24/53/363652453.db2.gz OMCAXDHNIBSPPG-NSHDSACASA-N -1 3 237.255 0.837 20 0 BCADHM O=C(NC[C@@H]1CCSC1)c1cc(=O)[n-]cn1 ZINC000626711022 359521771 /nfs/dbraw/zinc/52/17/71/359521771.db2.gz YCXDQYIBOYGKPK-ZETCQYMHSA-N -1 3 239.300 0.665 20 0 BCADHM CCSCCN1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000580456580 359564521 /nfs/dbraw/zinc/56/45/21/359564521.db2.gz ISNGPBBZGOXTBA-IUCAKERBSA-N -1 3 233.333 0.913 20 0 BCADHM COC[C@@H](CO)NC(=O)c1c(C)cccc1[O-] ZINC000626776461 359650546 /nfs/dbraw/zinc/65/05/46/359650546.db2.gz SLXKKKGFCGAOTE-SECBINFHSA-N -1 3 239.271 0.438 20 0 BCADHM CC1(C)COC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000450853317 202289477 /nfs/dbraw/zinc/28/94/77/202289477.db2.gz HJXIETSMBQVDFX-QMMMGPOBSA-N -1 3 233.275 0.563 20 0 BCADHM COc1nnc(NC(=O)c2cn3c(n2)CCC3)[n-]1 ZINC000578361256 366538570 /nfs/dbraw/zinc/53/85/70/366538570.db2.gz AXLCGEYAHNKXIU-UHFFFAOYSA-N -1 3 248.246 0.208 20 0 BCADHM COc1nc(NC(=O)c2cn3c(n2)CCC3)n[n-]1 ZINC000578361256 366538578 /nfs/dbraw/zinc/53/85/78/366538578.db2.gz AXLCGEYAHNKXIU-UHFFFAOYSA-N -1 3 248.246 0.208 20 0 BCADHM COc1n[n-]c(NC(=O)c2cn3c(n2)CCC3)n1 ZINC000578361256 366538582 /nfs/dbraw/zinc/53/85/82/366538582.db2.gz AXLCGEYAHNKXIU-UHFFFAOYSA-N -1 3 248.246 0.208 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)c1cccnc1 ZINC000088330248 359947253 /nfs/dbraw/zinc/94/72/53/359947253.db2.gz NGISQHSKXQUIEY-ZETCQYMHSA-N -1 3 217.232 0.691 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)c1cccnc1 ZINC000088330248 359947259 /nfs/dbraw/zinc/94/72/59/359947259.db2.gz NGISQHSKXQUIEY-ZETCQYMHSA-N -1 3 217.232 0.691 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1cccnc1 ZINC000088330248 359947264 /nfs/dbraw/zinc/94/72/64/359947264.db2.gz NGISQHSKXQUIEY-ZETCQYMHSA-N -1 3 217.232 0.691 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cncc([O-])c2)CCN1C ZINC000091437556 360116170 /nfs/dbraw/zinc/11/61/70/360116170.db2.gz LKXCHDWBBHFDPD-ONGXEEELSA-N -1 3 249.314 1.000 20 0 BCADHM CN(C[C@@H]1CCCN1C)C(=O)c1cncc([O-])c1 ZINC000092632745 360186416 /nfs/dbraw/zinc/18/64/16/360186416.db2.gz IIMHVZJQAKLDIS-NSHDSACASA-N -1 3 249.314 0.953 20 0 BCADHM CN(C)c1ccc(NC(=O)c2nc[n-]n2)cn1 ZINC000095041133 360333277 /nfs/dbraw/zinc/33/32/77/360333277.db2.gz DPZKUTSJZBYBHL-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM C[C@H](O)C(C)(C)NC(=O)Cc1cncc([O-])c1 ZINC000613173678 360479186 /nfs/dbraw/zinc/47/91/86/360479186.db2.gz MIXKBSGOIIDCOR-QMMMGPOBSA-N -1 3 238.287 0.605 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c1 ZINC000628782164 360647956 /nfs/dbraw/zinc/64/79/56/360647956.db2.gz JITHMSUJOFGYLU-KYZUINATSA-N -1 3 248.282 0.694 20 0 BCADHM COc1nc(NC(=O)[C@@H](OC)C2CCC2)n[n-]1 ZINC000613195928 360708881 /nfs/dbraw/zinc/70/88/81/360708881.db2.gz KYILBTWLLLPCNB-ZETCQYMHSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@@H](OC)C2CCC2)[n-]1 ZINC000613195928 360708882 /nfs/dbraw/zinc/70/88/82/360708882.db2.gz KYILBTWLLLPCNB-ZETCQYMHSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](OC)C2CCC2)n1 ZINC000613195928 360708883 /nfs/dbraw/zinc/70/88/83/360708883.db2.gz KYILBTWLLLPCNB-ZETCQYMHSA-N -1 3 240.263 0.567 20 0 BCADHM CN(C(=O)c1ccccc1[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000629215032 360952891 /nfs/dbraw/zinc/95/28/91/360952891.db2.gz XSWQSPGVTKMAOX-DTORHVGOSA-N -1 3 248.282 0.728 20 0 BCADHM CC(C)(C(=O)[O-])N1CCN(CCCF)CC1 ZINC000629361159 361009250 /nfs/dbraw/zinc/00/92/50/361009250.db2.gz CQSVOKQDGQALFG-UHFFFAOYSA-N -1 3 232.299 0.827 20 0 BCADHM C[C@H](CN(C)CC(=O)NCC(C)(C)C)C(=O)[O-] ZINC000629488369 361092788 /nfs/dbraw/zinc/09/27/88/361092788.db2.gz KMKDQUZBCLPVFD-SECBINFHSA-N -1 3 244.335 0.801 20 0 BCADHM CC1(C)[C@H](NC(=O)c2csc(=O)[n-]2)C[C@@H]1O ZINC000332981791 361273713 /nfs/dbraw/zinc/27/37/13/361273713.db2.gz XABFVPYFANXPLN-RQJHMYQMSA-N -1 3 242.300 0.738 20 0 BCADHM COc1cc(C(=O)[N-]c2conc2C)nn1C ZINC000640487928 361280760 /nfs/dbraw/zinc/28/07/60/361280760.db2.gz RKRMXZVYXWBFQL-UHFFFAOYSA-N -1 3 236.231 0.977 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)Cc2cncc([O-])c2)CO1 ZINC000575002091 361289046 /nfs/dbraw/zinc/28/90/46/361289046.db2.gz XFJOHPXOFUICRM-WCBMZHEXSA-N -1 3 236.271 0.623 20 0 BCADHM COc1cc(C(=O)N(C)C[C@@H](C)O)ccc1[O-] ZINC000428676997 201033787 /nfs/dbraw/zinc/03/37/87/201033787.db2.gz FFVUNQVKZDEOTM-MRVPVSSYSA-N -1 3 239.271 0.854 20 0 BCADHM COC[C@H]1CCN1C(=O)c1cc(F)c[n-]c1=O ZINC000622067965 370690785 /nfs/dbraw/zinc/69/07/85/370690785.db2.gz VONDPWPPJJRPKR-MRVPVSSYSA-N -1 3 240.234 0.787 20 0 BCADHM C[C@@H]1C[C@H]1CNC(=O)C(=O)[N-]c1cnns1 ZINC000429665417 201123313 /nfs/dbraw/zinc/12/33/13/201123313.db2.gz ZKYWSCRKXJIPSG-RITPCOANSA-N -1 3 240.288 0.249 20 0 BCADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cscn1 ZINC000632630514 361435871 /nfs/dbraw/zinc/43/58/71/361435871.db2.gz MDHNQBKFAXLHFS-PHDIDXHHSA-N -1 3 218.303 0.830 20 0 BCADHM C/C=C\C[C@H]([N-]S(=O)(=O)CC)C(=O)OCC ZINC000433880613 201199315 /nfs/dbraw/zinc/19/93/15/201199315.db2.gz RYJMJDHRYDGKPM-WYDVEAGSSA-N -1 3 249.332 0.824 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)Cc2cncc([O-])c2)C1 ZINC000629690166 361625347 /nfs/dbraw/zinc/62/53/47/361625347.db2.gz VTBRPHMDBATLNT-HOMQSWHASA-N -1 3 236.271 0.623 20 0 BCADHM COCc1csc(NC(=O)c2nc[n-]n2)n1 ZINC000435936863 201299927 /nfs/dbraw/zinc/29/99/27/201299927.db2.gz HOKNXAUSBFJITB-UHFFFAOYSA-N -1 3 239.260 0.660 20 0 BCADHM CN(C(=O)c1c([O-])cccc1O)C1CC(O)C1 ZINC000436966476 201340513 /nfs/dbraw/zinc/34/05/13/201340513.db2.gz UYBGYTULDNFNEW-UHFFFAOYSA-N -1 3 237.255 0.693 20 0 BCADHM COCC[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000122813371 363837402 /nfs/dbraw/zinc/83/74/02/363837402.db2.gz VURZKVNLULBANL-UHFFFAOYSA-N -1 3 247.320 0.458 20 0 BCADHM CN(C(=O)c1cccc2[n-]nnc21)C1(CO)CC1 ZINC000614770042 363960194 /nfs/dbraw/zinc/96/01/94/363960194.db2.gz MHHJGHNUXFFGCK-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM CN(C(=O)c1cccc2nn[n-]c21)C1(CO)CC1 ZINC000614770042 363960196 /nfs/dbraw/zinc/96/01/96/363960196.db2.gz MHHJGHNUXFFGCK-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM CN(C(=O)c1cccc2n[n-]nc21)C1(CO)CC1 ZINC000614770042 363960200 /nfs/dbraw/zinc/96/02/00/363960200.db2.gz MHHJGHNUXFFGCK-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM CC1(CC(=O)NCCCc2cc(=O)[nH][n-]2)CC1 ZINC000614915173 364074052 /nfs/dbraw/zinc/07/40/52/364074052.db2.gz MDEFOEOQFRRIBF-UHFFFAOYSA-N -1 3 237.303 0.949 20 0 BCADHM O=C(CCCF)NCCCc1cc(=O)[nH][n-]1 ZINC000614921531 364092538 /nfs/dbraw/zinc/09/25/38/364092538.db2.gz CCACNPPSKWYNJO-UHFFFAOYSA-N -1 3 229.255 0.508 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000614922005 364092917 /nfs/dbraw/zinc/09/29/17/364092917.db2.gz IEGXHLDYAXJJCY-MYJAWHEDSA-N -1 3 249.314 0.805 20 0 BCADHM CC[C@@H](NC(=O)c1cc(F)c[n-]c1=O)[C@@H](C)O ZINC000622090651 370703850 /nfs/dbraw/zinc/70/38/50/370703850.db2.gz RSWHCFFGTPEOSR-HZGVNTEJSA-N -1 3 242.250 0.816 20 0 BCADHM O=C(NCC[C@@H]1CC1(F)F)c1c[n-]nn1 ZINC000622201704 370762759 /nfs/dbraw/zinc/76/27/59/370762759.db2.gz PTYUWXLSEVEMOW-RXMQYKEDSA-N -1 3 216.191 0.580 20 0 BCADHM O=C(NCC[C@@H]1CC1(F)F)c1cnn[n-]1 ZINC000622201704 370762761 /nfs/dbraw/zinc/76/27/61/370762761.db2.gz PTYUWXLSEVEMOW-RXMQYKEDSA-N -1 3 216.191 0.580 20 0 BCADHM O=C(NCC[C@@H]1CC1(F)F)c1cn[n-]n1 ZINC000622201704 370762762 /nfs/dbraw/zinc/76/27/62/370762762.db2.gz PTYUWXLSEVEMOW-RXMQYKEDSA-N -1 3 216.191 0.580 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000622173160 370747405 /nfs/dbraw/zinc/74/74/05/370747405.db2.gz JMNJOIXAKSFZPV-ISVAXAHUSA-N -1 3 249.266 0.695 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@]12C[C@H]1CCC2 ZINC000614931712 364191830 /nfs/dbraw/zinc/19/18/30/364191830.db2.gz VZOKFWGIDFTJMM-NOZJJQNGSA-N -1 3 249.314 0.949 20 0 BCADHM CCN[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000630572066 364268045 /nfs/dbraw/zinc/26/80/45/364268045.db2.gz YHZRIZQSFFKPHR-DTWKUNHWSA-N -1 3 230.308 0.600 20 0 BCADHM CCN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000630572067 364268439 /nfs/dbraw/zinc/26/84/39/364268439.db2.gz YHZRIZQSFFKPHR-IUCAKERBSA-N -1 3 230.308 0.600 20 0 BCADHM CCN[C@H](C)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000630574464 364271089 /nfs/dbraw/zinc/27/10/89/364271089.db2.gz QJLVBEWRQYETSI-ZJUUUORDSA-N -1 3 244.335 0.848 20 0 BCADHM CCN[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000630574003 364271158 /nfs/dbraw/zinc/27/11/58/364271158.db2.gz MKWQXCCSUZBDSV-BBBLOLIVSA-N -1 3 242.319 0.696 20 0 BCADHM C[C@H](C(=O)[N-]c1nnc2[nH]cnn12)C(C)(F)F ZINC000614993587 364287343 /nfs/dbraw/zinc/28/73/43/364287343.db2.gz JMOVSDGEBMLCCX-SCSAIBSYSA-N -1 3 244.205 0.682 20 0 BCADHM CC(C)(C(=O)[N-]c1nnc2[nH]cnn12)C1CC1 ZINC000614994551 364290290 /nfs/dbraw/zinc/29/02/90/364290290.db2.gz SFLFFUBTBTYLST-UHFFFAOYSA-N -1 3 234.263 0.827 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1CC12CC2 ZINC000614996537 364307438 /nfs/dbraw/zinc/30/74/38/364307438.db2.gz LXROWOIEFUYNIO-RXMQYKEDSA-N -1 3 218.220 0.191 20 0 BCADHM C[C@]1(C(=O)[N-]c2nnc3[nH]cnn23)CC1(F)F ZINC000614996671 364309288 /nfs/dbraw/zinc/30/92/88/364309288.db2.gz NDSRDYXMYSWLJB-SSDOTTSWSA-N -1 3 242.189 0.436 20 0 BCADHM CC[C@@H](O)CNC(=O)c1cccc([O-])c1 ZINC000135903907 364452160 /nfs/dbraw/zinc/45/21/60/364452160.db2.gz SMZDCZROGAVTDS-SECBINFHSA-N -1 3 209.245 0.893 20 0 BCADHM CCOC(=O)c1cc(NC(=O)CCOC)n[n-]1 ZINC000181754467 366845464 /nfs/dbraw/zinc/84/54/64/366845464.db2.gz ILERHCXZMAFZDS-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM CCOC(=O)c1cc(NC(=O)CCOC)[n-]n1 ZINC000181754467 366845470 /nfs/dbraw/zinc/84/54/70/366845470.db2.gz ILERHCXZMAFZDS-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM O=C(Nc1nc(CCO)cs1)c1nc[n-]n1 ZINC000615140554 364521352 /nfs/dbraw/zinc/52/13/52/364521352.db2.gz YTWMBAYMRJDZNM-UHFFFAOYSA-N -1 3 239.260 0.048 20 0 BCADHM O=C(Nc1ccccc1[O-])C1CS(=O)(=O)C1 ZINC000630797355 364562326 /nfs/dbraw/zinc/56/23/26/364562326.db2.gz VENBOJPQZJJORT-UHFFFAOYSA-N -1 3 241.268 0.375 20 0 BCADHM CC[C@H](O)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000615189389 364614330 /nfs/dbraw/zinc/61/43/30/364614330.db2.gz XHDAQTWYMDOZQG-QMMMGPOBSA-N -1 3 249.270 0.769 20 0 BCADHM Cc1cccc(C(=O)N[C@@H]2COC[C@H]2O)c1[O-] ZINC000297052977 364788076 /nfs/dbraw/zinc/78/80/76/364788076.db2.gz UFSDLJNZSQRWPM-NXEZZACHSA-N -1 3 237.255 0.190 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCCN1 ZINC000044625097 541386651 /nfs/dbraw/zinc/38/66/51/541386651.db2.gz JSVTTZDOCZSANL-BDAKNGLRSA-N -1 3 228.292 0.450 20 0 BCADHM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)[O-] ZINC000573729465 364904956 /nfs/dbraw/zinc/90/49/56/364904956.db2.gz VUPBCWBWQAJRHE-MRTMQBJTSA-N -1 3 227.260 0.345 20 0 BCADHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000574196863 365005116 /nfs/dbraw/zinc/00/51/16/365005116.db2.gz KMHUXQKSPHSJSF-YUMQZZPRSA-N -1 3 247.320 0.122 20 0 BCADHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000574196862 365008270 /nfs/dbraw/zinc/00/82/70/365008270.db2.gz KMHUXQKSPHSJSF-JGVFFNPUSA-N -1 3 247.320 0.122 20 0 BCADHM C[C@H]1CC[C@H](N(C)CC(=O)Nc2nnn[n-]2)C1 ZINC000574287233 365029678 /nfs/dbraw/zinc/02/96/78/365029678.db2.gz HDQDHSWSQJJLKP-YUMQZZPRSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@H]1CC[C@H](N(C)CC(=O)Nc2nn[n-]n2)C1 ZINC000574287233 365029683 /nfs/dbraw/zinc/02/96/83/365029683.db2.gz HDQDHSWSQJJLKP-YUMQZZPRSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@H]1CC[C@@H](N(C)CC(=O)Nc2nnn[n-]2)C1 ZINC000574287231 365029830 /nfs/dbraw/zinc/02/98/30/365029830.db2.gz HDQDHSWSQJJLKP-JGVFFNPUSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@H]1CC[C@@H](N(C)CC(=O)Nc2nn[n-]n2)C1 ZINC000574287231 365029833 /nfs/dbraw/zinc/02/98/33/365029833.db2.gz HDQDHSWSQJJLKP-JGVFFNPUSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@]1(O)CCN(C(=O)Cc2cncc([O-])c2)C1 ZINC000574474590 365070805 /nfs/dbraw/zinc/07/08/05/365070805.db2.gz SUVFTKAJWSHSEL-LBPRGKRZSA-N -1 3 236.271 0.313 20 0 BCADHM [O-]c1cccnc1CSC[C@H](O)CO ZINC000574585581 365097477 /nfs/dbraw/zinc/09/74/77/365097477.db2.gz ZIPRKFCUFNLKIB-SSDOTTSWSA-N -1 3 215.274 0.374 20 0 BCADHM CCC[C@@H](C)S(=O)(=O)[N-]CC(=O)OCC ZINC000574695883 365123484 /nfs/dbraw/zinc/12/34/84/365123484.db2.gz DYXHTGXJFRZFOB-MRVPVSSYSA-N -1 3 237.321 0.658 20 0 BCADHM C[C@@H]1[C@H](C)SCCN1CCOCC(=O)[O-] ZINC000574763192 365138802 /nfs/dbraw/zinc/13/88/02/365138802.db2.gz MZUPPWBQKIVDFN-BDAKNGLRSA-N -1 3 233.333 0.913 20 0 BCADHM CC[C@H](CN1C[C@H](OC)C[C@H]1C(=O)[O-])OC ZINC000575412453 365313825 /nfs/dbraw/zinc/31/38/25/365313825.db2.gz AEPJNKHZALMCOP-BBBLOLIVSA-N -1 3 231.292 0.585 20 0 BCADHM O=C(NC[C@@H]1CCCO1)c1cccc2nn[n-]c21 ZINC000182669257 366928732 /nfs/dbraw/zinc/92/87/32/366928732.db2.gz QPIPUQMKRSZDQL-QMMMGPOBSA-N -1 3 246.270 0.867 20 0 BCADHM O=C(NC[C@@H]1CCCO1)c1cccc2[n-]nnc21 ZINC000182669257 366928738 /nfs/dbraw/zinc/92/87/38/366928738.db2.gz QPIPUQMKRSZDQL-QMMMGPOBSA-N -1 3 246.270 0.867 20 0 BCADHM O=C(NC[C@@H]1CCCO1)c1cccc2n[n-]nc21 ZINC000182669257 366928743 /nfs/dbraw/zinc/92/87/43/366928743.db2.gz QPIPUQMKRSZDQL-QMMMGPOBSA-N -1 3 246.270 0.867 20 0 BCADHM Cn1cc(NC(=O)c2cccc3nn[n-]c32)cn1 ZINC000182710042 366933956 /nfs/dbraw/zinc/93/39/56/366933956.db2.gz SNNZEHYKTULJOZ-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM Cn1cc(NC(=O)c2cccc3[n-]nnc32)cn1 ZINC000182710042 366933960 /nfs/dbraw/zinc/93/39/60/366933960.db2.gz SNNZEHYKTULJOZ-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM Cn1cc(NC(=O)c2cccc3n[n-]nc32)cn1 ZINC000182710042 366933963 /nfs/dbraw/zinc/93/39/63/366933963.db2.gz SNNZEHYKTULJOZ-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM CCCS(=O)(=O)[N-]c1c[nH]nc1C ZINC000182734744 366935968 /nfs/dbraw/zinc/93/59/68/366935968.db2.gz SOABKSYWHOZLFS-UHFFFAOYSA-N -1 3 203.267 0.870 20 0 BCADHM C[C@H](O)CCNC(=O)c1cccc2nn[n-]c21 ZINC000180036889 541507335 /nfs/dbraw/zinc/50/73/35/541507335.db2.gz FYIQZUIVFNLVBS-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM C[C@H](O)CCNC(=O)c1cccc2[n-]nnc21 ZINC000180036889 541507339 /nfs/dbraw/zinc/50/73/39/541507339.db2.gz FYIQZUIVFNLVBS-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM C[C@H](O)CCNC(=O)c1cccc2n[n-]nc21 ZINC000180036889 541507344 /nfs/dbraw/zinc/50/73/44/541507344.db2.gz FYIQZUIVFNLVBS-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM CCOC(=O)[C@@H](CC)Sc1n[n-]c(CO)n1 ZINC000579692669 366981646 /nfs/dbraw/zinc/98/16/46/366981646.db2.gz DJWNNBDYQDRTAT-ZCFIWIBFSA-N -1 3 245.304 0.731 20 0 BCADHM COC(=O)[C@H](CF)NCc1nc(C)ccc1[O-] ZINC000579893205 367063695 /nfs/dbraw/zinc/06/36/95/367063695.db2.gz WMPCVCPNKWIOOR-QMMMGPOBSA-N -1 3 242.250 0.696 20 0 BCADHM CCCN(CC(N)=O)Cc1ncccc1[O-] ZINC000580869920 367191452 /nfs/dbraw/zinc/19/14/52/367191452.db2.gz BEANLIQNIDPRES-UHFFFAOYSA-N -1 3 223.276 0.485 20 0 BCADHM COCC(C)(C)NC(=O)Cc1cncc([O-])c1 ZINC000581141981 367276279 /nfs/dbraw/zinc/27/62/79/367276279.db2.gz HTIVMFRZNBXWQL-UHFFFAOYSA-N -1 3 238.287 0.871 20 0 BCADHM COCC[C@@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000581142527 367277151 /nfs/dbraw/zinc/27/71/51/367277151.db2.gz NPJUPGHJSMOPJO-SECBINFHSA-N -1 3 238.287 0.871 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H]1CO ZINC000581422632 367463817 /nfs/dbraw/zinc/46/38/17/367463817.db2.gz DPTFBLYRRAOGHD-QMMMGPOBSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H]1CO ZINC000581422632 367463824 /nfs/dbraw/zinc/46/38/24/367463824.db2.gz DPTFBLYRRAOGHD-QMMMGPOBSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H]1CO ZINC000581422632 367463830 /nfs/dbraw/zinc/46/38/30/367463830.db2.gz DPTFBLYRRAOGHD-QMMMGPOBSA-N -1 3 246.270 0.555 20 0 BCADHM CCCC[C@H](NC(=O)[C@@H](C)NC1CC1)C(=O)[O-] ZINC000382939215 367572043 /nfs/dbraw/zinc/57/20/43/367572043.db2.gz IDDPSGVCWPZATC-SCZZXKLOSA-N -1 3 242.319 0.887 20 0 BCADHM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)NC1CC1 ZINC000382928090 367568481 /nfs/dbraw/zinc/56/84/81/367568481.db2.gz DZDAWDNAKLDKIW-IUCAKERBSA-N -1 3 242.319 0.839 20 0 BCADHM C[C@@](O)(CNc1ccncc1C(=O)[O-])C1CC1 ZINC000383926008 367659535 /nfs/dbraw/zinc/65/95/35/367659535.db2.gz RRYABWHYVDCTEV-GFCCVEGCSA-N -1 3 236.271 0.775 20 0 BCADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@H](C)O ZINC000387223459 368116252 /nfs/dbraw/zinc/11/62/52/368116252.db2.gz ZVPATSRCZYTWPV-OIBJUYFYSA-N -1 3 239.271 0.987 20 0 BCADHM O=C(N[C@H]1CC12CCCC2)c1c[n-]nn1 ZINC000387318619 368150295 /nfs/dbraw/zinc/15/02/95/368150295.db2.gz QRIGSSAJMAEDOM-QMMMGPOBSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(N[C@H]1CC12CCCC2)c1cnn[n-]1 ZINC000387318619 368150301 /nfs/dbraw/zinc/15/03/01/368150301.db2.gz QRIGSSAJMAEDOM-QMMMGPOBSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(N[C@H]1CC12CCCC2)c1cn[n-]n1 ZINC000387318619 368150308 /nfs/dbraw/zinc/15/03/08/368150308.db2.gz QRIGSSAJMAEDOM-QMMMGPOBSA-N -1 3 206.249 0.867 20 0 BCADHM CO[N-]C(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000043936068 368409669 /nfs/dbraw/zinc/40/96/69/368409669.db2.gz FZARJYCDBBLUGB-ZCFIWIBFSA-N -1 3 243.288 0.525 20 0 BCADHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1cnn(C)c1 ZINC000068281204 368720729 /nfs/dbraw/zinc/72/07/29/368720729.db2.gz XNCQPKQCLRXQFX-BDAKNGLRSA-N -1 3 209.249 0.591 20 0 BCADHM COCC(C)(C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000069123428 368746634 /nfs/dbraw/zinc/74/66/34/368746634.db2.gz VFAJPWJZYRQFCD-UHFFFAOYSA-N -1 3 247.320 0.123 20 0 BCADHM CCN(C)S(=O)(=O)[N-]c1cccnc1OC ZINC000072758940 368780093 /nfs/dbraw/zinc/78/00/93/368780093.db2.gz KBGUGGXJBSSAJW-UHFFFAOYSA-N -1 3 245.304 0.699 20 0 BCADHM CNC(=O)COc1cc2occ([O-])c2c(C)c1 ZINC000642610170 368934813 /nfs/dbraw/zinc/93/48/13/368934813.db2.gz ZOWNTCABITVKJJ-UHFFFAOYSA-N -1 3 235.239 0.695 20 0 BCADHM CN1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459314900 203254507 /nfs/dbraw/zinc/25/45/07/203254507.db2.gz QYRWCJOSWLFMEB-UHFFFAOYSA-N -1 3 248.330 0.807 20 0 BCADHM CC1(C)[C@H](CNC(=O)c2c[n-]nn2)C1(F)F ZINC000619395225 369335091 /nfs/dbraw/zinc/33/50/91/369335091.db2.gz AGJWVYLKVLUTRO-LURJTMIESA-N -1 3 230.218 0.826 20 0 BCADHM CC1(C)[C@H](CNC(=O)c2cnn[n-]2)C1(F)F ZINC000619395225 369335094 /nfs/dbraw/zinc/33/50/94/369335094.db2.gz AGJWVYLKVLUTRO-LURJTMIESA-N -1 3 230.218 0.826 20 0 BCADHM CC1(C)[C@H](CNC(=O)c2cn[n-]n2)C1(F)F ZINC000619395225 369335097 /nfs/dbraw/zinc/33/50/97/369335097.db2.gz AGJWVYLKVLUTRO-LURJTMIESA-N -1 3 230.218 0.826 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)CN(C)C)[n-]1 ZINC000619446828 369368217 /nfs/dbraw/zinc/36/82/17/369368217.db2.gz ZVOJFAKYRJLDDJ-UHFFFAOYSA-N -1 3 240.263 0.087 20 0 BCADHM CCOC(=O)c1nc(NC(=O)CN(C)C)c[n-]1 ZINC000619446828 369368223 /nfs/dbraw/zinc/36/82/23/369368223.db2.gz ZVOJFAKYRJLDDJ-UHFFFAOYSA-N -1 3 240.263 0.087 20 0 BCADHM CC[C@@H](O)CNC(=O)c1ccc(O)cc1[O-] ZINC000230017290 369415773 /nfs/dbraw/zinc/41/57/73/369415773.db2.gz KIOKQVIMPFOIPS-SSDOTTSWSA-N -1 3 225.244 0.599 20 0 BCADHM O=C(Nc1ccc([O-])cc1F)[C@]1(O)CCOC1 ZINC000622495506 370959904 /nfs/dbraw/zinc/95/99/04/370959904.db2.gz ZSFXLTHSFRIKII-NSHDSACASA-N -1 3 241.218 0.621 20 0 BCADHM Cn1cc(C(=O)NCC2=CCCC2)c(=O)[n-]c1=O ZINC000620003976 369659172 /nfs/dbraw/zinc/65/91/72/369659172.db2.gz ZCIHNKNDUMASTE-UHFFFAOYSA-N -1 3 249.270 0.326 20 0 BCADHM CC[C@H]1CN(CC2(C(=O)[O-])CC2)CCO1 ZINC000568062865 326302494 /nfs/dbraw/zinc/30/24/94/326302494.db2.gz SUFHTNVHZWZMED-VIFPVBQESA-N -1 3 213.277 0.962 20 0 BCADHM CO[C@@]1(C)C[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000620549565 369914187 /nfs/dbraw/zinc/91/41/87/369914187.db2.gz JOSIHELSTDNZIV-MUWHJKNJSA-N -1 3 228.273 0.756 20 0 BCADHM CO[C@@]1(C)C[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000620559562 369923548 /nfs/dbraw/zinc/92/35/48/369923548.db2.gz NVEQPXZGJZUTNF-PWSUYJOCSA-N -1 3 246.270 0.865 20 0 BCADHM CS[C@@H](C)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000309674926 370242635 /nfs/dbraw/zinc/24/26/35/370242635.db2.gz LIMQECPUXJDEAV-QMMMGPOBSA-N -1 3 248.348 0.213 20 0 BCADHM C[C@H](C1CC1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000568311396 326344092 /nfs/dbraw/zinc/34/40/92/326344092.db2.gz NEFZRVQLFLRIAB-SSDOTTSWSA-N -1 3 210.281 0.339 20 0 BCADHM COC[C@H](C)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621730409 370483991 /nfs/dbraw/zinc/48/39/91/370483991.db2.gz KTORYFPWLPIWLY-SSDOTTSWSA-N -1 3 242.250 0.939 20 0 BCADHM C[C@@H](O)CCNC(=O)c1cc(F)c[n-]c1=O ZINC000621920708 370600394 /nfs/dbraw/zinc/60/03/94/370600394.db2.gz LTRWNEZNHBSZJD-ZCFIWIBFSA-N -1 3 228.223 0.427 20 0 BCADHM CCC[C@H](O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621923434 370602173 /nfs/dbraw/zinc/60/21/73/370602173.db2.gz MCRINMJHXMKJEJ-QMMMGPOBSA-N -1 3 242.250 0.817 20 0 BCADHM Cc1noc([N-]C(=O)C2(n3cnnn3)CC2)c1C ZINC000621886816 370581135 /nfs/dbraw/zinc/58/11/35/370581135.db2.gz FERGRBSOMWXBIA-UHFFFAOYSA-N -1 3 248.246 0.406 20 0 BCADHM COC[C@@H](OC)C(=O)[N-]c1onc(C)c1C ZINC000621886806 370581407 /nfs/dbraw/zinc/58/14/07/370581407.db2.gz DNGRNAPADOROJX-MRVPVSSYSA-N -1 3 228.248 0.891 20 0 BCADHM CN(CC(C)(C)O)C(=O)c1cc(F)c[n-]c1=O ZINC000621899129 370587724 /nfs/dbraw/zinc/58/77/24/370587724.db2.gz PHAMLWNSGPOCKP-UHFFFAOYSA-N -1 3 242.250 0.769 20 0 BCADHM CC(C)(O)CCNC(=O)c1cc(F)c[n-]c1=O ZINC000621959050 370621666 /nfs/dbraw/zinc/62/16/66/370621666.db2.gz IHDOTOKDEHZZGP-UHFFFAOYSA-N -1 3 242.250 0.817 20 0 BCADHM CSCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948236 370997250 /nfs/dbraw/zinc/99/72/50/370997250.db2.gz OTIDHSQTRVVTFA-UHFFFAOYSA-N -1 3 221.307 0.051 20 0 BCADHM O=S(=O)([N-]CC[C@H]1CCCO1)c1c[nH]cn1 ZINC000069948778 370997619 /nfs/dbraw/zinc/99/76/19/370997619.db2.gz YHQLVONSHKQKQT-MRVPVSSYSA-N -1 3 245.304 0.257 20 0 BCADHM O=C([N-]c1nncn1C1CC1)[C@H](O)C1CCC1 ZINC000622588278 371007111 /nfs/dbraw/zinc/00/71/11/371007111.db2.gz COKLPLXNVHBXMS-SECBINFHSA-N -1 3 236.275 0.713 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)C(C)(C)O ZINC000390448142 371203595 /nfs/dbraw/zinc/20/35/95/371203595.db2.gz YKVDTTLNSSMPML-ZCFIWIBFSA-N -1 3 221.264 0.298 20 0 BCADHM C[C@@H](N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095203017 371259677 /nfs/dbraw/zinc/25/96/77/371259677.db2.gz RLWSUOCNMAYEMH-ZCFIWIBFSA-N -1 3 232.247 0.152 20 0 BCADHM C[C@H](Cn1cccn1)NC(=O)c1cc(=O)[n-]cn1 ZINC000624041351 371267549 /nfs/dbraw/zinc/26/75/49/371267549.db2.gz RKFCGLJETNDYKZ-MRVPVSSYSA-N -1 3 247.258 0.197 20 0 BCADHM Cc1cccc([O-])c1C(=O)N(C)CC(N)=O ZINC000624113075 371317069 /nfs/dbraw/zinc/31/70/69/371317069.db2.gz VUPZAZLIMNWKIP-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM CC(F)(F)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000627561259 371709990 /nfs/dbraw/zinc/70/99/90/371709990.db2.gz BJKIIGVUTDYICH-UHFFFAOYSA-N -1 3 231.202 0.957 20 0 BCADHM CCn1ccnc1CNC(=O)c1cc(=O)[n-]cn1 ZINC000627599748 371769722 /nfs/dbraw/zinc/76/97/22/371769722.db2.gz WUGKUIJNLXPLKW-UHFFFAOYSA-N -1 3 247.258 0.329 20 0 BCADHM O=C(NCC1CSC1)c1cc(=O)[n-]cn1 ZINC000627670760 371828042 /nfs/dbraw/zinc/82/80/42/371828042.db2.gz MDQJYSMXKZRWEX-UHFFFAOYSA-N -1 3 225.273 0.275 20 0 BCADHM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1c[n-]nn1 ZINC000230320846 371891563 /nfs/dbraw/zinc/89/15/63/371891563.db2.gz CATXGFONFWKWIY-APPZFPTMSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cnn[n-]1 ZINC000230320846 371891566 /nfs/dbraw/zinc/89/15/66/371891566.db2.gz CATXGFONFWKWIY-APPZFPTMSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cn[n-]n1 ZINC000230320846 371891570 /nfs/dbraw/zinc/89/15/70/371891570.db2.gz CATXGFONFWKWIY-APPZFPTMSA-N -1 3 222.248 0.102 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)CO1 ZINC000627968568 372167373 /nfs/dbraw/zinc/16/73/73/372167373.db2.gz DNZIRORYIQLSGU-BQBZGAKWSA-N -1 3 223.232 0.089 20 0 BCADHM COC[C@](C)(CO)NCc1nc(C)ccc1[O-] ZINC000631205279 372235861 /nfs/dbraw/zinc/23/58/61/372235861.db2.gz ZFKJMZXMKGTURF-LBPRGKRZSA-N -1 3 240.303 0.583 20 0 BCADHM O=c1[nH][n-]cc1CCCNc1cnccn1 ZINC000631360767 372314371 /nfs/dbraw/zinc/31/43/71/372314371.db2.gz HSIHWBNYLJJKCN-QMMMGPOBSA-N -1 3 219.248 0.401 20 0 BCADHM CC(C)CC[N-]S(=O)(=O)c1nncn1C ZINC000631638082 372474168 /nfs/dbraw/zinc/47/41/68/372474168.db2.gz IWIFLTMXPYBRJN-UHFFFAOYSA-N -1 3 232.309 0.140 20 0 BCADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1nncn1C ZINC000631794772 372578290 /nfs/dbraw/zinc/57/82/90/372578290.db2.gz XBODOKWZPUNSLJ-JGVFFNPUSA-N -1 3 246.336 0.528 20 0 BCADHM CCC[C@H](CC)[N-]S(=O)(=O)c1nncn1C ZINC000631814854 372590590 /nfs/dbraw/zinc/59/05/90/372590590.db2.gz SENPFGXROUPDJN-QMMMGPOBSA-N -1 3 246.336 0.672 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CC(C)(C)O ZINC000632006929 372723200 /nfs/dbraw/zinc/72/32/00/372723200.db2.gz SROGXBLKNZXXFX-UHFFFAOYSA-N -1 3 234.277 0.032 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H](C)CCO ZINC000632015825 372724311 /nfs/dbraw/zinc/72/43/11/372724311.db2.gz YDWNQCVUQQWPEB-ZCFIWIBFSA-N -1 3 234.277 0.032 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H](CO)C(C)C ZINC000632075601 372749500 /nfs/dbraw/zinc/74/95/00/372749500.db2.gz RJJKFZPVSZKXCB-MRVPVSSYSA-N -1 3 248.304 0.278 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C1CC=CC1 ZINC000632100968 372759913 /nfs/dbraw/zinc/75/99/13/372759913.db2.gz MZGZWKZGECFKGY-UHFFFAOYSA-N -1 3 228.273 0.980 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H](C)C[C@H](C)O ZINC000632200654 372804287 /nfs/dbraw/zinc/80/42/87/372804287.db2.gz KBAJGJDYRXUUSD-RQJHMYQMSA-N -1 3 248.304 0.421 20 0 BCADHM O=C(C[C@@H]1CCCO1)NCc1ncccc1[O-] ZINC000352516304 182019365 /nfs/dbraw/zinc/01/93/65/182019365.db2.gz KZPXGHFUGWGBTK-VIFPVBQESA-N -1 3 236.271 0.973 20 0 BCADHM O=C(C[C@@H]1COCCN1)Nc1ccccc1[O-] ZINC000129266170 182021592 /nfs/dbraw/zinc/02/15/92/182021592.db2.gz COGRUGSXTIWQHS-SECBINFHSA-N -1 3 236.271 0.709 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)c2ccco2)CC1 ZINC000632449161 372954206 /nfs/dbraw/zinc/95/42/06/372954206.db2.gz SUKMNQUIAIWMQL-UHFFFAOYSA-N -1 3 229.257 0.680 20 0 BCADHM O=S(=O)([N-][C@H]1C[C@@H](O)C1)c1ccco1 ZINC000632430668 372936060 /nfs/dbraw/zinc/93/60/60/372936060.db2.gz GTNLNCXTQAKHHD-KNVOCYPGSA-N -1 3 217.246 0.081 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1C[C@@H](O)C1 ZINC000632430233 372937226 /nfs/dbraw/zinc/93/72/26/372937226.db2.gz JGRDRWYYTTZSOR-OCAPTIKFSA-N -1 3 246.288 0.093 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1CO[C@H](C)C1 ZINC000632504122 372975161 /nfs/dbraw/zinc/97/51/61/372975161.db2.gz USGJWEAOXYIGID-SVRRBLITSA-N -1 3 246.288 0.439 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](CO)C2)o1 ZINC000632620957 373037095 /nfs/dbraw/zinc/03/70/95/373037095.db2.gz GGMTUKHNPSVPKG-DTORHVGOSA-N -1 3 245.300 0.637 20 0 BCADHM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@@H]2C)cn1C ZINC000632628754 373042793 /nfs/dbraw/zinc/04/27/93/373042793.db2.gz YUJNXOVTPLUZBF-XPUUQOCRSA-N -1 3 229.305 0.415 20 0 BCADHM CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000632633986 373046921 /nfs/dbraw/zinc/04/69/21/373046921.db2.gz HXHMKTYGDFSVGE-RKDXNWHRSA-N -1 3 243.332 0.887 20 0 BCADHM O=S(=O)([N-][C@H]1CCC[C@@H]1O)c1cscn1 ZINC000632701181 373079999 /nfs/dbraw/zinc/07/99/99/373079999.db2.gz YGZLRXOTYKMRPO-BQBZGAKWSA-N -1 3 248.329 0.335 20 0 BCADHM O=C(Cn1cc(Cl)cn1)[N-]C1=NCCS1 ZINC000287051183 182066333 /nfs/dbraw/zinc/06/63/33/182066333.db2.gz IZJCYKXHFANTBY-UHFFFAOYSA-N -1 3 244.707 0.756 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1CCCOCC1 ZINC000330218842 182085463 /nfs/dbraw/zinc/08/54/63/182085463.db2.gz JRUVNMLYRVTDNE-VIFPVBQESA-N -1 3 236.271 0.964 20 0 BCADHM O=C(NC1CC1)c1nn[n-]c1NC(=O)C1CC1 ZINC000297632312 182101664 /nfs/dbraw/zinc/10/16/64/182101664.db2.gz CJNIFUIBUKIXLW-UHFFFAOYSA-N -1 3 235.247 0.045 20 0 BCADHM O=C(NC1CC1)c1[n-]nnc1NC(=O)C1CC1 ZINC000297632312 182101665 /nfs/dbraw/zinc/10/16/65/182101665.db2.gz CJNIFUIBUKIXLW-UHFFFAOYSA-N -1 3 235.247 0.045 20 0 BCADHM O=C(NC1CC1)c1n[n-]nc1NC(=O)C1CC1 ZINC000297632312 182101666 /nfs/dbraw/zinc/10/16/66/182101666.db2.gz CJNIFUIBUKIXLW-UHFFFAOYSA-N -1 3 235.247 0.045 20 0 BCADHM COc1cccnc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000633180255 373327380 /nfs/dbraw/zinc/32/73/80/373327380.db2.gz KTRFKUMRZUULRU-UHFFFAOYSA-N -1 3 247.258 0.779 20 0 BCADHM CC(C)CCC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520485 373582730 /nfs/dbraw/zinc/58/27/30/373582730.db2.gz ABWNDCVAZDJSSJ-UHFFFAOYSA-N -1 3 239.275 0.940 20 0 BCADHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(=O)[nH]1)C1CC1 ZINC000633520524 373582993 /nfs/dbraw/zinc/58/29/93/373582993.db2.gz HSNPCOGXYXKJRP-ZCFIWIBFSA-N -1 3 237.259 0.550 20 0 BCADHM CC[C@H](C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520876 373583028 /nfs/dbraw/zinc/58/30/28/373583028.db2.gz FHLRMJCGJWDYDE-LURJTMIESA-N -1 3 225.248 0.550 20 0 BCADHM CCC[C@H](C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521081 373583956 /nfs/dbraw/zinc/58/39/56/373583956.db2.gz HMZXGYXCTGNVEW-ZETCQYMHSA-N -1 3 239.275 0.940 20 0 BCADHM O=C(N[C@H]1C[C@@H](CO)C1)c1ccc2n[n-]nc2c1 ZINC000633840687 373804708 /nfs/dbraw/zinc/80/47/08/373804708.db2.gz SQLNEHFMPOZSHB-OTSSQURYSA-N -1 3 246.270 0.459 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@@H]1COC[C@@H]1O ZINC000633856689 373818277 /nfs/dbraw/zinc/81/82/77/373818277.db2.gz AIEQWXKDIDYXKZ-SCZZXKLOSA-N -1 3 237.255 0.190 20 0 BCADHM O=C(NCCOCc1ccccc1)c1c[n-]nn1 ZINC000177078335 182198374 /nfs/dbraw/zinc/19/83/74/182198374.db2.gz CVUSJORUIWGEFZ-UHFFFAOYSA-N -1 3 246.270 0.751 20 0 BCADHM O=C(NCCOCc1ccccc1)c1cnn[n-]1 ZINC000177078335 182198376 /nfs/dbraw/zinc/19/83/76/182198376.db2.gz CVUSJORUIWGEFZ-UHFFFAOYSA-N -1 3 246.270 0.751 20 0 BCADHM O=C(NCCOCc1ccccc1)c1cn[n-]n1 ZINC000177078335 182198378 /nfs/dbraw/zinc/19/83/78/182198378.db2.gz CVUSJORUIWGEFZ-UHFFFAOYSA-N -1 3 246.270 0.751 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)[C@@H](C)O1 ZINC000634033701 373923634 /nfs/dbraw/zinc/92/36/34/373923634.db2.gz OHGKKCSNXQLVFM-BWZBUEFSSA-N -1 3 237.259 0.478 20 0 BCADHM O=C(Nc1cnn2c1CCCC2)c1cnn[n-]1 ZINC000634215741 374033421 /nfs/dbraw/zinc/03/34/21/374033421.db2.gz OKYJHGILGPBJSR-UHFFFAOYSA-N -1 3 232.247 0.590 20 0 BCADHM O=C(Nc1cnn2c1CCCC2)c1c[n-]nn1 ZINC000634215741 374033428 /nfs/dbraw/zinc/03/34/28/374033428.db2.gz OKYJHGILGPBJSR-UHFFFAOYSA-N -1 3 232.247 0.590 20 0 BCADHM O=C(Nc1cnn2c1CCCC2)c1cn[n-]n1 ZINC000634215741 374033435 /nfs/dbraw/zinc/03/34/35/374033435.db2.gz OKYJHGILGPBJSR-UHFFFAOYSA-N -1 3 232.247 0.590 20 0 BCADHM O=C(NC1COC1)c1cc(F)cc2nn[n-]c21 ZINC000634258255 374068817 /nfs/dbraw/zinc/06/88/17/374068817.db2.gz JKJSURAJSZCENG-UHFFFAOYSA-N -1 3 236.206 0.226 20 0 BCADHM O=C(NC1COC1)c1cc(F)cc2[n-]nnc21 ZINC000634258255 374068825 /nfs/dbraw/zinc/06/88/25/374068825.db2.gz JKJSURAJSZCENG-UHFFFAOYSA-N -1 3 236.206 0.226 20 0 BCADHM O=C(NC1COC1)c1cc(F)cc2n[n-]nc21 ZINC000634258255 374068828 /nfs/dbraw/zinc/06/88/28/374068828.db2.gz JKJSURAJSZCENG-UHFFFAOYSA-N -1 3 236.206 0.226 20 0 BCADHM O=C(NN1CCCC1)c1ccc2n[n-]nc2c1 ZINC000288999671 182277345 /nfs/dbraw/zinc/27/73/45/182277345.db2.gz WJZQDKYLVSHLQP-UHFFFAOYSA-N -1 3 231.259 0.699 20 0 BCADHM O=C([N-]OCC(F)(F)F)[C@H]1C[C@H](F)CN1 ZINC000373435325 182282493 /nfs/dbraw/zinc/28/24/93/182282493.db2.gz IMRHINABMMOHRZ-CRCLSJGQSA-N -1 3 230.161 0.297 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)c1ccncc1F ZINC000276347209 182283149 /nfs/dbraw/zinc/28/31/49/182283149.db2.gz HXQFNAMDBBHNTP-QMMMGPOBSA-N -1 3 240.234 0.919 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)c1ccc(=O)[nH]c1 ZINC000191800023 182283669 /nfs/dbraw/zinc/28/36/69/182283669.db2.gz BFUHSWQPVWJCLU-QMMMGPOBSA-N -1 3 238.243 0.485 20 0 BCADHM O=C([N-]OCc1ccccc1)[C@H]1C[C@H](F)CN1 ZINC000188685206 182283708 /nfs/dbraw/zinc/28/37/08/182283708.db2.gz FCWAXWTYPUOIBZ-WDEREUQCSA-N -1 3 238.262 0.934 20 0 BCADHM O=C(N[C@@H]1CCCOC1)c1ccc2n[n-]nc2c1 ZINC000170936174 182296515 /nfs/dbraw/zinc/29/65/15/182296515.db2.gz RDJUOEJHIHNAPL-SECBINFHSA-N -1 3 246.270 0.867 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1O)c1ccc(O)cc1[O-] ZINC000163685094 182299895 /nfs/dbraw/zinc/29/98/95/182299895.db2.gz HWSWWWNTUPJTLO-NXEZZACHSA-N -1 3 237.255 0.741 20 0 BCADHM O=C(N[C@H](CCO)c1ccco1)c1c[n-]nn1 ZINC000187839961 182322151 /nfs/dbraw/zinc/32/21/51/182322151.db2.gz DSNPMNUZKZYONP-SSDOTTSWSA-N -1 3 236.231 0.251 20 0 BCADHM O=C(N[C@H](CCO)c1ccco1)c1cnn[n-]1 ZINC000187839961 182322154 /nfs/dbraw/zinc/32/21/54/182322154.db2.gz DSNPMNUZKZYONP-SSDOTTSWSA-N -1 3 236.231 0.251 20 0 BCADHM O=C(N[C@H](CCO)c1ccco1)c1cn[n-]n1 ZINC000187839961 182322156 /nfs/dbraw/zinc/32/21/56/182322156.db2.gz DSNPMNUZKZYONP-SSDOTTSWSA-N -1 3 236.231 0.251 20 0 BCADHM O=C(N[C@H](CO)C1CCCC1)c1c[n-]nn1 ZINC000291317411 182323287 /nfs/dbraw/zinc/32/32/87/182323287.db2.gz RCOZARAPUSITEP-SECBINFHSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H](CO)C1CCCC1)c1cnn[n-]1 ZINC000291317411 182323289 /nfs/dbraw/zinc/32/32/89/182323289.db2.gz RCOZARAPUSITEP-SECBINFHSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H](CO)C1CCCC1)c1cn[n-]n1 ZINC000291317411 182323291 /nfs/dbraw/zinc/32/32/91/182323291.db2.gz RCOZARAPUSITEP-SECBINFHSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1nc[n-]n1 ZINC000358443861 182361730 /nfs/dbraw/zinc/36/17/30/182361730.db2.gz FXKMTYJJRZRYSH-UHFFFAOYSA-N -1 3 243.226 0.300 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@H]1CCC(=O)NC1 ZINC000208660204 182752162 /nfs/dbraw/zinc/75/21/62/182752162.db2.gz JDAHOWZTXJUDMN-QMMMGPOBSA-N -1 3 234.255 0.857 20 0 BCADHM O=c1nc(CSC[C@H]2CCCO2)[nH][n-]1 ZINC000276878617 183009782 /nfs/dbraw/zinc/00/97/82/183009782.db2.gz INMXIRVARRIRDM-ZCFIWIBFSA-N -1 3 215.278 0.510 20 0 BCADHM Oc1[n-]c(N2CCCC2)nc2nncc1-2 ZINC000106461800 183009860 /nfs/dbraw/zinc/00/98/60/183009860.db2.gz XUICKELKDUXNHH-UHFFFAOYSA-N -1 3 205.221 0.246 20 0 BCADHM O=c1nc(CN2CCc3cc(F)ccc3C2)[nH][n-]1 ZINC000271621285 183010891 /nfs/dbraw/zinc/01/08/91/183010891.db2.gz FCHIDIIYVOMRHP-UHFFFAOYSA-N -1 3 248.261 0.795 20 0 BCADHM CCCC[C@H](NC(=O)c1c[n-]nn1)C(=O)OC ZINC000186453247 169010840 /nfs/dbraw/zinc/01/08/40/169010840.db2.gz IHOGVVBBXPKQND-ZETCQYMHSA-N -1 3 240.263 0.266 20 0 BCADHM CCCC[C@H](NC(=O)c1cnn[n-]1)C(=O)OC ZINC000186453247 169010841 /nfs/dbraw/zinc/01/08/41/169010841.db2.gz IHOGVVBBXPKQND-ZETCQYMHSA-N -1 3 240.263 0.266 20 0 BCADHM CCCC[C@H](NC(=O)c1cn[n-]n1)C(=O)OC ZINC000186453247 169010842 /nfs/dbraw/zinc/01/08/42/169010842.db2.gz IHOGVVBBXPKQND-ZETCQYMHSA-N -1 3 240.263 0.266 20 0 BCADHM OC[C@@H](N=c1ncnc2[nH][n-]cc1-2)C1CCCC1 ZINC000357777666 183107426 /nfs/dbraw/zinc/10/74/26/183107426.db2.gz AKXHPNOAURQGGG-SNVBAGLBSA-N -1 3 247.302 0.689 20 0 BCADHM [O-]c1cc(F)cc(CN2CCO[C@H](CO)C2)c1 ZINC000274611799 183126982 /nfs/dbraw/zinc/12/69/82/183126982.db2.gz UOHSZQJQTZFZDM-LBPRGKRZSA-N -1 3 241.262 0.724 20 0 BCADHM O=c1[n-]nc(CN2C[C@H](F)C[C@H]2CO)s1 ZINC000367452395 183130653 /nfs/dbraw/zinc/13/06/53/183130653.db2.gz UKORXDNWUPOMFA-RITPCOANSA-N -1 3 233.268 0.148 20 0 BCADHM CCCN(C)CC(=O)Nc1ccncc1[O-] ZINC000358321916 169071539 /nfs/dbraw/zinc/07/15/39/169071539.db2.gz BKGVYARWNZXBJY-UHFFFAOYSA-N -1 3 223.276 0.489 20 0 BCADHM CCCN(C)CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262686928 169065862 /nfs/dbraw/zinc/06/58/62/169065862.db2.gz VFHMOOOIRMBNBI-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM CCCN(C)S(=O)(=O)[N-]Cc1noc(C)n1 ZINC000120945851 169084861 /nfs/dbraw/zinc/08/48/61/169084861.db2.gz IPRZJHKEPSAVCR-UHFFFAOYSA-N -1 3 248.308 0.054 20 0 BCADHM CCCN(CC(=O)[O-])Cc1cnn(C)c1 ZINC000038021753 169099184 /nfs/dbraw/zinc/09/91/84/169099184.db2.gz CAGLGSSAUUFBDU-UHFFFAOYSA-N -1 3 211.265 0.717 20 0 BCADHM CCCN(CCC)CC(=O)NCC(=O)[O-] ZINC000032024279 169147411 /nfs/dbraw/zinc/14/74/11/169147411.db2.gz SJDWPASWXZLOOI-UHFFFAOYSA-N -1 3 216.281 0.309 20 0 BCADHM O=c1[n-]c(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)n[nH]1 ZINC000331403929 183306562 /nfs/dbraw/zinc/30/65/62/183306562.db2.gz BFHOPARPCKEUNB-CIUDSAMLSA-N -1 3 238.291 0.103 20 0 BCADHM CCCNC(=O)CNCc1nc(C)ccc1[O-] ZINC000103340950 169228050 /nfs/dbraw/zinc/22/80/50/169228050.db2.gz YWNAPNQOVZMUCO-UHFFFAOYSA-N -1 3 237.303 0.711 20 0 BCADHM CCCNC(=O)NCc1cnc(C)[n-]c1=O ZINC000342204231 169237767 /nfs/dbraw/zinc/23/77/67/169237767.db2.gz HTAQSEYFUGGWND-UHFFFAOYSA-N -1 3 224.264 0.700 20 0 BCADHM CCCNS(=O)(=O)[N-][C@@H](C)c1nc(C)no1 ZINC000331115370 169271659 /nfs/dbraw/zinc/27/16/59/169271659.db2.gz DIRRBKMJEGUPKR-LURJTMIESA-N -1 3 248.308 0.273 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1 ZINC000522289454 259630143 /nfs/dbraw/zinc/63/01/43/259630143.db2.gz GZUZNTIZHYLYLK-NSHDSACASA-N -1 3 245.282 0.928 20 0 BCADHM COC[C@H](C)[C@@H](C)C(=O)Nc1n[n-]c(OC)n1 ZINC000486951688 533005544 /nfs/dbraw/zinc/00/55/44/533005544.db2.gz UBUWLTJJCBPDPM-NKWVEPMBSA-N -1 3 242.279 0.670 20 0 BCADHM COC[C@H](C)[C@@H](C)C(=O)Nc1nnc(OC)[n-]1 ZINC000486951688 533005553 /nfs/dbraw/zinc/00/55/53/533005553.db2.gz UBUWLTJJCBPDPM-NKWVEPMBSA-N -1 3 242.279 0.670 20 0 BCADHM COC[C@H](C)[C@@H](C)C(=O)Nc1nc(OC)n[n-]1 ZINC000486951688 533005555 /nfs/dbraw/zinc/00/55/55/533005555.db2.gz UBUWLTJJCBPDPM-NKWVEPMBSA-N -1 3 242.279 0.670 20 0 BCADHM CC(C)n1nccc1NC(=O)c1nnc[n-]1 ZINC000087441373 383841909 /nfs/dbraw/zinc/84/19/09/383841909.db2.gz MOCMQNKMCIFERU-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM CC(C)n1nccc1NC(=O)c1nc[n-]n1 ZINC000087441373 383841914 /nfs/dbraw/zinc/84/19/14/383841914.db2.gz MOCMQNKMCIFERU-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM CC[C@H](CO)[N-]S(=O)(=O)c1c(C)noc1C ZINC000035610440 383861991 /nfs/dbraw/zinc/86/19/91/383861991.db2.gz YZEIJNRLDJOWAU-MRVPVSSYSA-N -1 3 248.304 0.341 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@@H](O)CC ZINC000313091242 383869414 /nfs/dbraw/zinc/86/94/14/383869414.db2.gz AQAWRGKJQPXSIR-SFYZADRCSA-N -1 3 247.320 0.238 20 0 BCADHM CN1C(=O)C[C@@H]([N-]c2nc3ccccc3o2)C1=O ZINC000088779085 383924520 /nfs/dbraw/zinc/92/45/20/383924520.db2.gz XAHJITZNACRXEC-MRVPVSSYSA-N -1 3 245.238 0.997 20 0 BCADHM CC[C@H]1C[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000348183989 383933696 /nfs/dbraw/zinc/93/36/96/383933696.db2.gz NTJXPWYIRCFXFL-POYBYMJQSA-N -1 3 203.249 0.937 20 0 BCADHM Cn1cnc([N-]C(=O)c2cncc(F)c2)n1 ZINC000558357940 383941707 /nfs/dbraw/zinc/94/17/07/383941707.db2.gz WTQUAIUNNKMXHB-UHFFFAOYSA-N -1 3 221.195 0.602 20 0 BCADHM Cc1ccc(C(=O)NCC(=O)N(C)C)c([O-])c1 ZINC000037207202 383957663 /nfs/dbraw/zinc/95/76/63/383957663.db2.gz DNXUWWNYBXKBCL-UHFFFAOYSA-N -1 3 236.271 0.519 20 0 BCADHM CCN(C)CC[N-]S(=O)(=O)c1cccs1 ZINC000068960777 384025051 /nfs/dbraw/zinc/02/50/51/384025051.db2.gz JFDYDMAYBQPNOF-UHFFFAOYSA-N -1 3 248.373 0.978 20 0 BCADHM CC[C@@H](CN1CCCC1)NC(=O)[C@@H](C)C(=O)[O-] ZINC000647157627 384050559 /nfs/dbraw/zinc/05/05/59/384050559.db2.gz MCSURWXOBSAMCN-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CCc1cc(C(=O)NCCO)ccc1[O-] ZINC000075617586 384051132 /nfs/dbraw/zinc/05/11/32/384051132.db2.gz CYULIPZDALDVRE-UHFFFAOYSA-N -1 3 209.245 0.677 20 0 BCADHM CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)C(=O)[O-] ZINC000647157624 384052811 /nfs/dbraw/zinc/05/28/11/384052811.db2.gz MCSURWXOBSAMCN-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM O=c1[n-]c(=O)n(CC[C@@H]2CCCO2)cc1Cl ZINC000091329545 384085116 /nfs/dbraw/zinc/08/51/16/384085116.db2.gz PTVAVVVDPUJUCB-ZETCQYMHSA-N -1 3 244.678 0.759 20 0 BCADHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000227768324 134392761 /nfs/dbraw/zinc/39/27/61/134392761.db2.gz ZIXDHLXHRPTLMR-SSDOTTSWSA-N -1 3 229.305 0.734 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)CC(C)(C)C ZINC000080192340 384163542 /nfs/dbraw/zinc/16/35/42/384163542.db2.gz RHYCLSADCXCMAM-ZETCQYMHSA-N -1 3 237.321 0.513 20 0 BCADHM CON(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000179407475 384286603 /nfs/dbraw/zinc/28/66/03/384286603.db2.gz GNVDYAFYHGLFFK-ONEGZZNKSA-N -1 3 208.217 0.820 20 0 BCADHM CC(C)c1noc([N-]Cc2cnnn2C)n1 ZINC000134443987 384357826 /nfs/dbraw/zinc/35/78/26/384357826.db2.gz YJLWHGDILIZLGW-UHFFFAOYSA-N -1 3 222.252 0.934 20 0 BCADHM C[C@@H](C(=O)[O-])C(=O)NCCN1CCC[C@H](C)C1 ZINC000647116859 384358889 /nfs/dbraw/zinc/35/88/89/384358889.db2.gz LXYCYSIHLSXPPZ-VHSXEESVSA-N -1 3 242.319 0.555 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)CCC1CC1 ZINC000308894169 384403943 /nfs/dbraw/zinc/40/39/43/384403943.db2.gz RXGWZSYDSULTDG-ZETCQYMHSA-N -1 3 235.305 0.267 20 0 BCADHM CCOCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000048607017 384500139 /nfs/dbraw/zinc/50/01/39/384500139.db2.gz FTLLNWJOGBBCEX-UHFFFAOYSA-N -1 3 234.259 0.724 20 0 BCADHM C[C@H](CCO)CNC(=O)c1ccc(O)cc1[O-] ZINC000097442904 384522465 /nfs/dbraw/zinc/52/24/65/384522465.db2.gz BQPYGNZVHLENAK-MRVPVSSYSA-N -1 3 239.271 0.846 20 0 BCADHM COc1ccc(C(=O)N(C)CCCO)c([O-])c1 ZINC000306035385 384522728 /nfs/dbraw/zinc/52/27/28/384522728.db2.gz SHDPXFSKUUEZKN-UHFFFAOYSA-N -1 3 239.271 0.855 20 0 BCADHM CCON=C([O-])Nc1cc(OC)ncn1 ZINC000184105886 384566020 /nfs/dbraw/zinc/56/60/20/384566020.db2.gz JXPGXSIUVMIGHM-UHFFFAOYSA-N -1 3 212.209 0.558 20 0 BCADHM CCO[N-]C(=O)Nc1cc(OC)ncn1 ZINC000184105886 384566027 /nfs/dbraw/zinc/56/60/27/384566027.db2.gz JXPGXSIUVMIGHM-UHFFFAOYSA-N -1 3 212.209 0.558 20 0 BCADHM C[C@@H](NCc1nc(=O)[n-][nH]1)c1ccccc1 ZINC000271599047 384623319 /nfs/dbraw/zinc/62/33/19/384623319.db2.gz AKSCHLCQJJJRMG-MRVPVSSYSA-N -1 3 218.260 0.949 20 0 BCADHM COC(=O)CNC(=O)c1ccc([O-])c(OC)c1 ZINC000082265676 384655598 /nfs/dbraw/zinc/65/55/98/384655598.db2.gz KOCXPPDUEJBCGZ-UHFFFAOYSA-N -1 3 239.227 0.304 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1cnn(C)c1 ZINC000124875043 384681644 /nfs/dbraw/zinc/68/16/44/384681644.db2.gz AZHNVQGHTPUYAP-ZCFIWIBFSA-N -1 3 220.236 0.029 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1cnn(C)c1 ZINC000124875043 384681649 /nfs/dbraw/zinc/68/16/49/384681649.db2.gz AZHNVQGHTPUYAP-ZCFIWIBFSA-N -1 3 220.236 0.029 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1cnn(C)c1 ZINC000124875043 384681654 /nfs/dbraw/zinc/68/16/54/384681654.db2.gz AZHNVQGHTPUYAP-ZCFIWIBFSA-N -1 3 220.236 0.029 20 0 BCADHM C[C@@H](O)CN(C)C(=O)c1ccc(O)cc1[O-] ZINC000051817702 384686022 /nfs/dbraw/zinc/68/60/22/384686022.db2.gz SQFQWOGHJHMIKK-SSDOTTSWSA-N -1 3 225.244 0.551 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@H]1CNC(=O)C1 ZINC000142613842 384704907 /nfs/dbraw/zinc/70/49/07/384704907.db2.gz XDRVKFXNUMCKQP-SSDOTTSWSA-N -1 3 220.228 0.467 20 0 BCADHM C[C@](O)(CNC(=O)c1c[n-]nn1)c1ccco1 ZINC000173690818 384709612 /nfs/dbraw/zinc/70/96/12/384709612.db2.gz ZYJHZJZDJNSSRF-JTQLQIEISA-N -1 3 236.231 0.035 20 0 BCADHM C[C@](O)(CNC(=O)c1cnn[n-]1)c1ccco1 ZINC000173690818 384709620 /nfs/dbraw/zinc/70/96/20/384709620.db2.gz ZYJHZJZDJNSSRF-JTQLQIEISA-N -1 3 236.231 0.035 20 0 BCADHM C[C@](O)(CNC(=O)c1cn[n-]n1)c1ccco1 ZINC000173690818 384709622 /nfs/dbraw/zinc/70/96/22/384709622.db2.gz ZYJHZJZDJNSSRF-JTQLQIEISA-N -1 3 236.231 0.035 20 0 BCADHM CC[C@@H](C)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225906624 384738928 /nfs/dbraw/zinc/73/89/28/384738928.db2.gz FHMPZWGETLKXQM-SECBINFHSA-N -1 3 230.308 0.507 20 0 BCADHM O=S(=O)(CC1CC1)c1nc(C2CC2)n[n-]1 ZINC000151802234 384796957 /nfs/dbraw/zinc/79/69/57/384796957.db2.gz OCNCROWNLKZBGT-UHFFFAOYSA-N -1 3 227.289 0.866 20 0 BCADHM O=S(=O)(CC1CC1)c1nnc(C2CC2)[n-]1 ZINC000151802234 384796960 /nfs/dbraw/zinc/79/69/60/384796960.db2.gz OCNCROWNLKZBGT-UHFFFAOYSA-N -1 3 227.289 0.866 20 0 BCADHM COC1(CNC(=O)c2c[n-]nn2)CCCCC1 ZINC000186352849 384836453 /nfs/dbraw/zinc/83/64/53/384836453.db2.gz CWXMIYFOVIOKSG-UHFFFAOYSA-N -1 3 238.291 0.884 20 0 BCADHM COC1(CNC(=O)c2cnn[n-]2)CCCCC1 ZINC000186352849 384836458 /nfs/dbraw/zinc/83/64/58/384836458.db2.gz CWXMIYFOVIOKSG-UHFFFAOYSA-N -1 3 238.291 0.884 20 0 BCADHM COC1(CNC(=O)c2cn[n-]n2)CCCCC1 ZINC000186352849 384836462 /nfs/dbraw/zinc/83/64/62/384836462.db2.gz CWXMIYFOVIOKSG-UHFFFAOYSA-N -1 3 238.291 0.884 20 0 BCADHM O=S(=O)([N-]CC1COC1)c1cncc(F)c1 ZINC000528564115 384883739 /nfs/dbraw/zinc/88/37/39/384883739.db2.gz MMBUEOMWRFZLSV-UHFFFAOYSA-N -1 3 246.263 0.145 20 0 BCADHM Cc1ccc([O-])c(CNC2(C(N)=O)CC2)n1 ZINC000309874080 384883975 /nfs/dbraw/zinc/88/39/75/384883975.db2.gz RWMICWMGUAYMHO-UHFFFAOYSA-N -1 3 221.260 0.203 20 0 BCADHM C[C@]1(C(=O)Nc2ncccc2[O-])CNC(=O)C1 ZINC000364044067 384898552 /nfs/dbraw/zinc/89/85/52/384898552.db2.gz SLIFKSRSOWSTST-LLVKDONJSA-N -1 3 235.243 0.252 20 0 BCADHM Cc1nc([N-]C(=O)c2snnc2C)n[nH]1 ZINC000127838668 384911092 /nfs/dbraw/zinc/91/10/92/384911092.db2.gz XEEBWFODEBUIRS-UHFFFAOYSA-N -1 3 224.249 0.525 20 0 BCADHM O=S(=O)([N-][C@H]1CCCSC1)c1c[nH]cn1 ZINC000129223985 384984302 /nfs/dbraw/zinc/98/43/02/384984302.db2.gz HGOBSRXDUVPGJB-ZETCQYMHSA-N -1 3 247.345 0.584 20 0 BCADHM Cc1cc(C(=O)N(C)CCO)ccc1[O-] ZINC000202527126 385002355 /nfs/dbraw/zinc/00/23/55/385002355.db2.gz WBKFYYPJSQZIPR-UHFFFAOYSA-N -1 3 209.245 0.765 20 0 BCADHM CCOC[C@@H](O)CNC(=O)c1cccc([O-])c1 ZINC000310371102 385017595 /nfs/dbraw/zinc/01/75/95/385017595.db2.gz XHXKILLYZXNETP-NSHDSACASA-N -1 3 239.271 0.519 20 0 BCADHM CN1C[C@H]2[C@@H](CCN2C(=O)c2cncc([O-])c2)C1 ZINC000646912035 385063994 /nfs/dbraw/zinc/06/39/94/385063994.db2.gz LUBCZELICLDUSD-CABZTGNLSA-N -1 3 247.298 0.563 20 0 BCADHM CN(C)C[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000061652171 385129636 /nfs/dbraw/zinc/12/96/36/385129636.db2.gz XZOFSMSNJGXIFK-JTQLQIEISA-N -1 3 249.314 0.953 20 0 BCADHM O=C([O-])C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000331424226 385191166 /nfs/dbraw/zinc/19/11/66/385191166.db2.gz FNWHQFJMRTXAOP-SECBINFHSA-N -1 3 226.276 0.204 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC[C@](C)(O)C2)n1 ZINC000176908626 385156261 /nfs/dbraw/zinc/15/62/61/385156261.db2.gz QNNFNIHYAJDCAT-LBPRGKRZSA-N -1 3 237.303 0.701 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc[nH]c1C ZINC000530933017 385175737 /nfs/dbraw/zinc/17/57/37/385175737.db2.gz FASZVPYEPLKGLN-JTQLQIEISA-N -1 3 248.286 0.565 20 0 BCADHM Cc1noc(C)c1C[C@H](C)NC(=O)c1c[n-]nn1 ZINC000130158872 385224668 /nfs/dbraw/zinc/22/46/68/385224668.db2.gz RMKHYXRNCOGESW-LURJTMIESA-N -1 3 249.274 0.771 20 0 BCADHM Cc1noc(C)c1C[C@H](C)NC(=O)c1cnn[n-]1 ZINC000130158872 385224677 /nfs/dbraw/zinc/22/46/77/385224677.db2.gz RMKHYXRNCOGESW-LURJTMIESA-N -1 3 249.274 0.771 20 0 BCADHM Cc1noc(C)c1C[C@H](C)NC(=O)c1cn[n-]n1 ZINC000130158872 385224686 /nfs/dbraw/zinc/22/46/86/385224686.db2.gz RMKHYXRNCOGESW-LURJTMIESA-N -1 3 249.274 0.771 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CCO[C@@H](C)C2)n1 ZINC000177509931 385256794 /nfs/dbraw/zinc/25/67/94/385256794.db2.gz LOFLIDGTPLOROB-VIFPVBQESA-N -1 3 237.303 0.965 20 0 BCADHM C[C@H](NC1CC1)C(=O)Nc1ccncc1[O-] ZINC000569336884 385205319 /nfs/dbraw/zinc/20/53/19/385205319.db2.gz QZTBRTKXWKNGRF-ZETCQYMHSA-N -1 3 221.260 0.288 20 0 BCADHM O=S(=O)(C[C@H]1CCCCO1)c1ncn[n-]1 ZINC000408444759 385305256 /nfs/dbraw/zinc/30/52/56/385305256.db2.gz VZSUVAGEMMFLBL-SSDOTTSWSA-N -1 3 231.277 0.148 20 0 BCADHM O=S(=O)(C[C@H]1CCCCO1)c1nnc[n-]1 ZINC000408444759 385305259 /nfs/dbraw/zinc/30/52/59/385305259.db2.gz VZSUVAGEMMFLBL-SSDOTTSWSA-N -1 3 231.277 0.148 20 0 BCADHM CCCCS(=O)(=O)[N-]CC(F)(F)CN ZINC000164919113 385323181 /nfs/dbraw/zinc/32/31/81/385323181.db2.gz YEJOOHMUYOXQLQ-UHFFFAOYSA-N -1 3 230.280 0.300 20 0 BCADHM CC(C)[C@@H](O)CNC(=O)c1ccc(O)cc1[O-] ZINC000166982258 385290903 /nfs/dbraw/zinc/29/09/03/385290903.db2.gz VTIIYINMNJFGOP-NSHDSACASA-N -1 3 239.271 0.845 20 0 BCADHM CC[C@@H](C)[C@@H](C)NCc1nn(C)c(=O)[n-]1 ZINC000308941348 385300050 /nfs/dbraw/zinc/30/00/50/385300050.db2.gz MJHSAZZJCCTILG-HTQZYQBOSA-N -1 3 212.297 0.633 20 0 BCADHM O=C([N-]c1cnoc1)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000643969371 385329426 /nfs/dbraw/zinc/32/94/26/385329426.db2.gz ZIWZEJQJBCWAJW-UHFFFAOYSA-N -1 3 245.198 0.904 20 0 BCADHM O=C(NCCCOCCO)c1ccccc1[O-] ZINC000180388377 385389053 /nfs/dbraw/zinc/38/90/53/385389053.db2.gz UPPSGRKFGTUDJE-UHFFFAOYSA-N -1 3 239.271 0.521 20 0 BCADHM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1C ZINC000427902692 385349758 /nfs/dbraw/zinc/34/97/58/385349758.db2.gz OQJRZTZNAQZBIW-NXEZZACHSA-N -1 3 249.314 1.000 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCCC(=O)N2)n1 ZINC000273494290 385361406 /nfs/dbraw/zinc/36/14/06/385361406.db2.gz NCLPENQHFNNEJF-MRVPVSSYSA-N -1 3 249.270 0.703 20 0 BCADHM Cc1ccc([C@@H](O)CNC(=O)c2c[n-]nn2)cc1 ZINC000194592190 385441284 /nfs/dbraw/zinc/44/12/84/385441284.db2.gz VSIZCHFPVVDICB-NSHDSACASA-N -1 3 246.270 0.577 20 0 BCADHM Cc1ccc([C@@H](O)CNC(=O)c2cnn[n-]2)cc1 ZINC000194592190 385441288 /nfs/dbraw/zinc/44/12/88/385441288.db2.gz VSIZCHFPVVDICB-NSHDSACASA-N -1 3 246.270 0.577 20 0 BCADHM Cc1ccc([C@@H](O)CNC(=O)c2cn[n-]n2)cc1 ZINC000194592190 385441292 /nfs/dbraw/zinc/44/12/92/385441292.db2.gz VSIZCHFPVVDICB-NSHDSACASA-N -1 3 246.270 0.577 20 0 BCADHM COCCCO[N-]C(=O)/C=C\c1ccnn1C ZINC000492799954 385437581 /nfs/dbraw/zinc/43/75/81/385437581.db2.gz NUFAMCHXFSTNEW-PLNGDYQASA-N -1 3 239.275 0.518 20 0 BCADHM Cc1nc(C)c(CCC(=O)N[C@@H]2C[C@@H]2C)c(=O)[n-]1 ZINC000171060492 385465591 /nfs/dbraw/zinc/46/55/91/385465591.db2.gz QYDNUSQASCVCFS-WRWORJQWSA-N -1 3 249.314 0.844 20 0 BCADHM Cn1cnnc1[N-]C(=O)COC(C)(C)C ZINC000157022787 385481811 /nfs/dbraw/zinc/48/18/11/385481811.db2.gz VJCFLUWVRMKIKP-UHFFFAOYSA-N -1 3 212.253 0.569 20 0 BCADHM COC[C@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000171422920 385483413 /nfs/dbraw/zinc/48/34/13/385483413.db2.gz PFNURRIYGRZCJV-NSHDSACASA-N -1 3 246.270 0.922 20 0 BCADHM COC[C@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000171422920 385483418 /nfs/dbraw/zinc/48/34/18/385483418.db2.gz PFNURRIYGRZCJV-NSHDSACASA-N -1 3 246.270 0.922 20 0 BCADHM COC[C@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000171422920 385483419 /nfs/dbraw/zinc/48/34/19/385483419.db2.gz PFNURRIYGRZCJV-NSHDSACASA-N -1 3 246.270 0.922 20 0 BCADHM COCCO[N-]C(=O)/C=C\c1cnn(C)c1C ZINC000492911211 385464618 /nfs/dbraw/zinc/46/46/18/385464618.db2.gz LGJHAGFIYRFEOJ-PLNGDYQASA-N -1 3 239.275 0.436 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)CCC1CCC1 ZINC000309303445 385525525 /nfs/dbraw/zinc/52/55/25/385525525.db2.gz WOWVSGCBMXSUGR-MRVPVSSYSA-N -1 3 249.332 0.658 20 0 BCADHM COC1(C)CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000408128982 385557368 /nfs/dbraw/zinc/55/73/68/385557368.db2.gz MRFNROQFQOMACH-UHFFFAOYSA-N -1 3 246.270 0.819 20 0 BCADHM CCC[C@H](C)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000408152152 385573864 /nfs/dbraw/zinc/57/38/64/385573864.db2.gz WLKKBIMIJIJRQB-VHSXEESVSA-N -1 3 239.319 0.659 20 0 BCADHM C[C@H]1[C@@H](NC(=O)c2cncc([O-])c2)CCCN1C ZINC000354621021 385597448 /nfs/dbraw/zinc/59/74/48/385597448.db2.gz NNPQKGMTUAJLOR-CABZTGNLSA-N -1 3 249.314 1.000 20 0 BCADHM C[C@H]1C[C@H](C(=O)Nc2ccncc2[O-])CC(=O)N1 ZINC000408161526 385580531 /nfs/dbraw/zinc/58/05/31/385580531.db2.gz NCEMGDPFYIHPPR-YUMQZZPRSA-N -1 3 249.270 0.062 20 0 BCADHM CN(C)C1CN(C(=O)c2csc(=O)[n-]2)C1 ZINC000334775063 385631927 /nfs/dbraw/zinc/63/19/27/385631927.db2.gz GLPINTKQNFBPIS-UHFFFAOYSA-N -1 3 227.289 0.235 20 0 BCADHM CN(C)CCNC(=O)c1c(F)ccc([O-])c1F ZINC000280806354 385608421 /nfs/dbraw/zinc/60/84/21/385608421.db2.gz QSPIBXMZNRFEMG-UHFFFAOYSA-N -1 3 244.241 0.962 20 0 BCADHM C[C@H](O)CCCNC(=O)c1c([O-])cccc1O ZINC000229419210 385611492 /nfs/dbraw/zinc/61/14/92/385611492.db2.gz FGHYJALBEBRHRH-QMMMGPOBSA-N -1 3 239.271 0.989 20 0 BCADHM c1[n-][nH]c2ncnc(=NCCC3CCOCC3)c1-2 ZINC000337528790 385696640 /nfs/dbraw/zinc/69/66/40/385696640.db2.gz TVRDTIYBGRRSOJ-UHFFFAOYSA-N -1 3 247.302 0.955 20 0 BCADHM Cn1cccc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000337538114 385699017 /nfs/dbraw/zinc/69/90/17/385699017.db2.gz ZKSUNEWWJOOJTE-UHFFFAOYSA-N -1 3 228.259 0.677 20 0 BCADHM CC(C)[C@@H](NC(=O)c1cccc([O-])c1)C(N)=O ZINC000182401390 385667456 /nfs/dbraw/zinc/66/74/56/385667456.db2.gz GWARMKDLCGYRCN-SNVBAGLBSA-N -1 3 236.271 0.632 20 0 BCADHM CC[C@H](SC)C(=O)Nc1nnc(OC)[n-]1 ZINC000182987736 385727792 /nfs/dbraw/zinc/72/77/92/385727792.db2.gz ZLKVQXPYDONGBT-YFKPBYRVSA-N -1 3 230.293 0.893 20 0 BCADHM CC[C@H](SC)C(=O)Nc1n[n-]c(OC)n1 ZINC000182987736 385727797 /nfs/dbraw/zinc/72/77/97/385727797.db2.gz ZLKVQXPYDONGBT-YFKPBYRVSA-N -1 3 230.293 0.893 20 0 BCADHM CC[C@H](SC)C(=O)Nc1nc(OC)n[n-]1 ZINC000182987736 385727800 /nfs/dbraw/zinc/72/78/00/385727800.db2.gz ZLKVQXPYDONGBT-YFKPBYRVSA-N -1 3 230.293 0.893 20 0 BCADHM CCO[C@H]1C[C@H]1C(=O)Nc1nnc(OC)[n-]1 ZINC000182997925 385728057 /nfs/dbraw/zinc/72/80/57/385728057.db2.gz KLGPDTHWWFUWOY-RITPCOANSA-N -1 3 226.236 0.177 20 0 BCADHM CCO[C@H]1C[C@H]1C(=O)Nc1n[n-]c(OC)n1 ZINC000182997925 385728059 /nfs/dbraw/zinc/72/80/59/385728059.db2.gz KLGPDTHWWFUWOY-RITPCOANSA-N -1 3 226.236 0.177 20 0 BCADHM CCO[C@H]1C[C@H]1C(=O)Nc1nc(OC)n[n-]1 ZINC000182997925 385728066 /nfs/dbraw/zinc/72/80/66/385728066.db2.gz KLGPDTHWWFUWOY-RITPCOANSA-N -1 3 226.236 0.177 20 0 BCADHM C[C@@](O)(CN=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000337631201 385730338 /nfs/dbraw/zinc/73/03/38/385730338.db2.gz YBNXKKNQVOMKPS-LLVKDONJSA-N -1 3 233.275 0.299 20 0 BCADHM C[C@@H](CO)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000282146751 385736671 /nfs/dbraw/zinc/73/66/71/385736671.db2.gz SJZUWJLSTJEFRL-YFKPBYRVSA-N -1 3 238.222 0.208 20 0 BCADHM C[C@@H](CO)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000282146751 385736673 /nfs/dbraw/zinc/73/66/73/385736673.db2.gz SJZUWJLSTJEFRL-YFKPBYRVSA-N -1 3 238.222 0.208 20 0 BCADHM C[C@@H](CO)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000282146751 385736675 /nfs/dbraw/zinc/73/66/75/385736675.db2.gz SJZUWJLSTJEFRL-YFKPBYRVSA-N -1 3 238.222 0.208 20 0 BCADHM CSc1nnc(NC(=O)CCC(C)=O)[n-]1 ZINC000282373927 385755771 /nfs/dbraw/zinc/75/57/71/385755771.db2.gz WSORGBISFRPRCX-UHFFFAOYSA-N -1 3 228.277 0.834 20 0 BCADHM CSc1n[n-]c(NC(=O)CCC(C)=O)n1 ZINC000282373927 385755778 /nfs/dbraw/zinc/75/57/78/385755778.db2.gz WSORGBISFRPRCX-UHFFFAOYSA-N -1 3 228.277 0.834 20 0 BCADHM CSc1nc(NC(=O)CCC(C)=O)n[n-]1 ZINC000282373927 385755784 /nfs/dbraw/zinc/75/57/84/385755784.db2.gz WSORGBISFRPRCX-UHFFFAOYSA-N -1 3 228.277 0.834 20 0 BCADHM CC(C)C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282944257 385799753 /nfs/dbraw/zinc/79/97/53/385799753.db2.gz PVDUEQGQNYGELE-QMMMGPOBSA-N -1 3 238.291 0.460 20 0 BCADHM COCCO[N-]C(=O)/C=C\c1ccc[nH]1 ZINC000493513873 533147884 /nfs/dbraw/zinc/14/78/84/533147884.db2.gz KIGGNKAGSJFFIQ-PLNGDYQASA-N -1 3 210.233 0.722 20 0 BCADHM Cc1ccc(C(=O)NOCC(N)=O)c([O-])c1C ZINC000271367204 385821270 /nfs/dbraw/zinc/82/12/70/385821270.db2.gz HGMPOYMQOYVPCV-UHFFFAOYSA-N -1 3 238.243 0.156 20 0 BCADHM Cc1cnc(C(=O)N2CCCN(C)CC2)c([O-])c1 ZINC000408229224 385838581 /nfs/dbraw/zinc/83/85/81/385838581.db2.gz OGCCNQCUKDLXAT-UHFFFAOYSA-N -1 3 249.314 0.873 20 0 BCADHM OC[C@H]1CCC[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000413615572 385846023 /nfs/dbraw/zinc/84/60/23/385846023.db2.gz RPVOVDOXIVKEBV-IUCAKERBSA-N -1 3 247.302 0.689 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)CO)n1 ZINC000284752305 385884823 /nfs/dbraw/zinc/88/48/23/385884823.db2.gz LOLSVJIPFJUXPW-MRVPVSSYSA-N -1 3 225.292 0.557 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000285191138 385905415 /nfs/dbraw/zinc/90/54/15/385905415.db2.gz VIBZYQOLGOQEPQ-UHFFFAOYSA-N -1 3 244.320 0.438 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@]2(O)CCOC2)n1 ZINC000413766561 385876128 /nfs/dbraw/zinc/87/61/28/385876128.db2.gz ZRQDEYVUZKIREE-LLVKDONJSA-N -1 3 238.243 0.186 20 0 BCADHM Cc1ncc(CNC(=O)c2ccnn2C)c(=O)[n-]1 ZINC000345095196 385994853 /nfs/dbraw/zinc/99/48/53/385994853.db2.gz MDGZPMXKHHBAMQ-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM CCO[C@H](C)C(=O)[N-]c1nncn1C1CC1 ZINC000285993573 385986069 /nfs/dbraw/zinc/98/60/69/385986069.db2.gz XYCLCMLTRJRDTB-SSDOTTSWSA-N -1 3 224.264 0.977 20 0 BCADHM CCO[C@@H](C)C(=O)[N-]c1nncn1C1CC1 ZINC000285993574 385986824 /nfs/dbraw/zinc/98/68/24/385986824.db2.gz XYCLCMLTRJRDTB-ZETCQYMHSA-N -1 3 224.264 0.977 20 0 BCADHM Cc1ncc(CNC(=O)c2cn[nH]c2)c(=O)[n-]1 ZINC000345089201 385991286 /nfs/dbraw/zinc/99/12/86/385991286.db2.gz DBXVREXRFGKIQV-UHFFFAOYSA-N -1 3 233.231 0.144 20 0 BCADHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000342170806 385950821 /nfs/dbraw/zinc/95/08/21/385950821.db2.gz IBULFAFXKNMYDF-RQJHMYQMSA-N -1 3 233.293 0.111 20 0 BCADHM O=C(COCC1CC1)[N-]c1nncn1C1CC1 ZINC000285792324 385965479 /nfs/dbraw/zinc/96/54/79/385965479.db2.gz MJCMYXSZNXOWMH-UHFFFAOYSA-N -1 3 236.275 0.978 20 0 BCADHM Cc1ncc(CNC(=O)[C@H]2CCCO2)c(=O)[n-]1 ZINC000345106603 385997832 /nfs/dbraw/zinc/99/78/32/385997832.db2.gz KBKCDWSSZDYWIR-SECBINFHSA-N -1 3 237.259 0.286 20 0 BCADHM Cc1cc(C(=O)NCCOC(C)C)[n-]c(=O)n1 ZINC000273442908 386000018 /nfs/dbraw/zinc/00/00/18/386000018.db2.gz ZAVLTNRJDURCOE-UHFFFAOYSA-N -1 3 239.275 0.645 20 0 BCADHM C[C@H](CCCO)C[N-]S(=O)(=O)c1ccco1 ZINC000295275671 386005220 /nfs/dbraw/zinc/00/52/20/386005220.db2.gz MFHLHYVRTWGZQG-SECBINFHSA-N -1 3 247.316 0.967 20 0 BCADHM CCO[C@@H](C)C(=O)NCc1cnc(C)[n-]c1=O ZINC000345123318 386025785 /nfs/dbraw/zinc/02/57/85/386025785.db2.gz JKPRMYXBNKDPRU-ZETCQYMHSA-N -1 3 239.275 0.532 20 0 BCADHM C[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000189659506 386056932 /nfs/dbraw/zinc/05/69/32/386056932.db2.gz JZZZUSKUCWMCIY-UHFFFAOYSA-N -1 3 249.313 0.751 20 0 BCADHM C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)[O-] ZINC000336728084 386042170 /nfs/dbraw/zinc/04/21/70/386042170.db2.gz CGBYWJKQEYWVIG-QMMMGPOBSA-N -1 3 228.292 0.260 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)CCC(N)=O)n1 ZINC000286561462 386052610 /nfs/dbraw/zinc/05/26/10/386052610.db2.gz TXCQXHHYSBYQGL-UHFFFAOYSA-N -1 3 238.291 0.052 20 0 BCADHM Cc1ncc(CNC(=O)C(C)C)c(=O)[n-]1 ZINC000345101549 385996311 /nfs/dbraw/zinc/99/63/11/385996311.db2.gz FOCDDEAZWGOWAC-UHFFFAOYSA-N -1 3 209.249 0.763 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-][C@H]1CCCNC1=O ZINC000295881086 386100912 /nfs/dbraw/zinc/10/09/12/386100912.db2.gz VVTYAAXSGPQGTN-YFKPBYRVSA-N -1 3 239.102 0.575 20 0 BCADHM CN1CC(=O)N[C@H]1c1cc([O-])cc(F)c1 ZINC000274546638 386117266 /nfs/dbraw/zinc/11/72/66/386117266.db2.gz VMGYRCVNFHRMRU-SNVBAGLBSA-N -1 3 210.208 0.592 20 0 BCADHM O=C(N[C@@H]1C[C@@H]1C(F)F)c1c[n-]nn1 ZINC000345834722 386119387 /nfs/dbraw/zinc/11/93/87/386119387.db2.gz YBDAJXACIDHZBA-IUYQGCFVSA-N -1 3 202.164 0.188 20 0 BCADHM O=C(N[C@@H]1C[C@@H]1C(F)F)c1cnn[n-]1 ZINC000345834722 386119389 /nfs/dbraw/zinc/11/93/89/386119389.db2.gz YBDAJXACIDHZBA-IUYQGCFVSA-N -1 3 202.164 0.188 20 0 BCADHM O=C(N[C@@H]1C[C@@H]1C(F)F)c1cn[n-]n1 ZINC000345834722 386119390 /nfs/dbraw/zinc/11/93/90/386119390.db2.gz YBDAJXACIDHZBA-IUYQGCFVSA-N -1 3 202.164 0.188 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC2(C)C)c1 ZINC000286605363 386058136 /nfs/dbraw/zinc/05/81/36/386058136.db2.gz HGLCYDNKMXLYOE-MRVPVSSYSA-N -1 3 243.332 0.887 20 0 BCADHM NS(=O)(=O)Nc1c([O-])cccc1F ZINC000575566144 386078084 /nfs/dbraw/zinc/07/80/84/386078084.db2.gz GEZROLCNLPOMBO-UHFFFAOYSA-N -1 3 206.198 0.147 20 0 BCADHM CO[N-]C(=O)c1cnn(C)c1Br ZINC000274170681 386079513 /nfs/dbraw/zinc/07/95/13/386079513.db2.gz IINGTNZZWFASGO-UHFFFAOYSA-N -1 3 234.053 0.474 20 0 BCADHM CC(C)(CNC(=O)c1c[n-]nn1)c1ccccn1 ZINC000295814726 386088946 /nfs/dbraw/zinc/08/89/46/386088946.db2.gz TVRLIBGIJSAOCY-UHFFFAOYSA-N -1 3 245.286 0.907 20 0 BCADHM CC(C)(CNC(=O)c1cnn[n-]1)c1ccccn1 ZINC000295814726 386088951 /nfs/dbraw/zinc/08/89/51/386088951.db2.gz TVRLIBGIJSAOCY-UHFFFAOYSA-N -1 3 245.286 0.907 20 0 BCADHM CC(C)(CNC(=O)c1cn[n-]n1)c1ccccn1 ZINC000295814726 386088956 /nfs/dbraw/zinc/08/89/56/386088956.db2.gz TVRLIBGIJSAOCY-UHFFFAOYSA-N -1 3 245.286 0.907 20 0 BCADHM COC[C@H](CO)NC(=O)c1ccc(C)cc1[O-] ZINC000234759551 386095556 /nfs/dbraw/zinc/09/55/56/386095556.db2.gz TVHFMTKTBJQTFD-VIFPVBQESA-N -1 3 239.271 0.438 20 0 BCADHM COC[C@H](CO)NC(=O)c1ccccc1[O-] ZINC000234767727 386096650 /nfs/dbraw/zinc/09/66/50/386096650.db2.gz XDBRBNDKGHKXCE-QMMMGPOBSA-N -1 3 225.244 0.129 20 0 BCADHM CN(C)c1nc(C(=O)N2CC(F)C2)cc(=O)[n-]1 ZINC000338801841 386145183 /nfs/dbraw/zinc/14/51/83/386145183.db2.gz VDZNBGPJVGXMKQ-UHFFFAOYSA-N -1 3 240.238 0.042 20 0 BCADHM Cc1ccc([O-])c(CN2C[C@@H](O)C[C@H]2CO)n1 ZINC000274906305 386162265 /nfs/dbraw/zinc/16/22/65/386162265.db2.gz IMPZMIQXXPRMDX-UWVGGRQHSA-N -1 3 238.287 0.023 20 0 BCADHM C[C@H](CCO)CC[N-]S(=O)(=O)c1ccco1 ZINC000296055447 386129430 /nfs/dbraw/zinc/12/94/30/386129430.db2.gz CNBBONOQYPHWBN-VIFPVBQESA-N -1 3 247.316 0.967 20 0 BCADHM C[C@@H](CN(C)c1ncc(F)cn1)c1nnn[n-]1 ZINC000129850656 386131035 /nfs/dbraw/zinc/13/10/35/386131035.db2.gz CLVYECBKDHURKK-LURJTMIESA-N -1 3 237.242 0.369 20 0 BCADHM C[C@@H](CN(C)c1ncc(F)cn1)c1nn[n-]n1 ZINC000129850656 386131038 /nfs/dbraw/zinc/13/10/38/386131038.db2.gz CLVYECBKDHURKK-LURJTMIESA-N -1 3 237.242 0.369 20 0 BCADHM O=S(=O)([N-]C[C@H](O)C1CC1)c1ccco1 ZINC000275425129 386210485 /nfs/dbraw/zinc/21/04/85/386210485.db2.gz DCRNTJVWIHMKMG-QMMMGPOBSA-N -1 3 231.273 0.329 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CCC[C@H]1O)c1ccco1 ZINC000275503419 386216470 /nfs/dbraw/zinc/21/64/70/386216470.db2.gz RHUQZGBBOQNDJP-DTWKUNHWSA-N -1 3 245.300 0.719 20 0 BCADHM O=S(=O)([N-]C[C@H]1CCOC1)c1ccco1 ZINC000275528332 386218944 /nfs/dbraw/zinc/21/89/44/386218944.db2.gz WXICFMAUXVOINM-MRVPVSSYSA-N -1 3 231.273 0.594 20 0 BCADHM C[C@@H]([N-]C(=O)C(C)(F)F)C(=O)NCCF ZINC000289051422 386253791 /nfs/dbraw/zinc/25/37/91/386253791.db2.gz AIIYBFBUWMHFJA-RXMQYKEDSA-N -1 3 226.198 0.232 20 0 BCADHM CSc1nnc(NC(=O)[C@@H]2CCCOC2)[n-]1 ZINC000263946794 386194935 /nfs/dbraw/zinc/19/49/35/386194935.db2.gz VRBCKJUWWUGLKD-ZCFIWIBFSA-N -1 3 242.304 0.892 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H]2CCCOC2)n1 ZINC000263946794 386194940 /nfs/dbraw/zinc/19/49/40/386194940.db2.gz VRBCKJUWWUGLKD-ZCFIWIBFSA-N -1 3 242.304 0.892 20 0 BCADHM CSc1nc(NC(=O)[C@@H]2CCCOC2)n[n-]1 ZINC000263946794 386194944 /nfs/dbraw/zinc/19/49/44/386194944.db2.gz VRBCKJUWWUGLKD-ZCFIWIBFSA-N -1 3 242.304 0.892 20 0 BCADHM CS(=O)(=O)[N-][C@@H]1COc2ccccc2[C@H]1O ZINC000288415769 386195854 /nfs/dbraw/zinc/19/58/54/386195854.db2.gz NZPHZWRDLRSHAB-PSASIEDQSA-N -1 3 243.284 0.030 20 0 BCADHM Cc1nn(C)cc1CNC1(C(=O)[O-])CC1 ZINC000417529728 386292378 /nfs/dbraw/zinc/29/23/78/386292378.db2.gz GXILPGOIZPFZSU-UHFFFAOYSA-N -1 3 209.249 0.435 20 0 BCADHM CC[C@H](O)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000339200293 386293198 /nfs/dbraw/zinc/29/31/98/386293198.db2.gz LOQQBEYIUSBFPW-BDAKNGLRSA-N -1 3 240.307 0.461 20 0 BCADHM CC[C@H](C[N-]S(=O)(=O)Cc1ccon1)OC ZINC000289413412 386302917 /nfs/dbraw/zinc/30/29/17/386302917.db2.gz BHIMUXQLPNEQBO-SECBINFHSA-N -1 3 248.304 0.519 20 0 BCADHM Cn1cc(C(=O)NCc2ccco2)c(=O)[n-]c1=O ZINC000334481806 386321513 /nfs/dbraw/zinc/32/15/13/386321513.db2.gz XBCGLJAVJJGQEH-UHFFFAOYSA-N -1 3 249.226 0.009 20 0 BCADHM Cc1cnc(C(=O)NCC2(N(C)C)CC2)c([O-])c1 ZINC000416305239 386265605 /nfs/dbraw/zinc/26/56/05/386265605.db2.gz ATLIGXCBWKDHJY-UHFFFAOYSA-N -1 3 249.314 0.920 20 0 BCADHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000276061628 386268043 /nfs/dbraw/zinc/26/80/43/386268043.db2.gz IRBBVUZKFPYZLN-YUMQZZPRSA-N -1 3 247.320 0.122 20 0 BCADHM CCCCCC(=O)Nc1[n-]nnc1C(=O)NC ZINC000297682928 386273782 /nfs/dbraw/zinc/27/37/82/386273782.db2.gz HYLYOBGLOJTIIV-UHFFFAOYSA-N -1 3 239.279 0.683 20 0 BCADHM CCCCCC(=O)Nc1nn[n-]c1C(=O)NC ZINC000297682928 386273786 /nfs/dbraw/zinc/27/37/86/386273786.db2.gz HYLYOBGLOJTIIV-UHFFFAOYSA-N -1 3 239.279 0.683 20 0 BCADHM CCCCCC(=O)Nc1n[n-]nc1C(=O)NC ZINC000297682928 386273787 /nfs/dbraw/zinc/27/37/87/386273787.db2.gz HYLYOBGLOJTIIV-UHFFFAOYSA-N -1 3 239.279 0.683 20 0 BCADHM COCC[C@@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000416591159 386342628 /nfs/dbraw/zinc/34/26/28/386342628.db2.gz TXFOMLRVTOTYIX-MRVPVSSYSA-N -1 3 247.320 0.361 20 0 BCADHM CCn1cc(CN[C@]2(C(=O)[O-])CCOC2)cn1 ZINC000417561485 386386643 /nfs/dbraw/zinc/38/66/43/386386643.db2.gz DKHVVAMSNDWCAQ-LLVKDONJSA-N -1 3 239.275 0.236 20 0 BCADHM Cc1cc(C(=O)NCCC(N)=O)ccc1[O-] ZINC000226716650 386369027 /nfs/dbraw/zinc/36/90/27/386369027.db2.gz YOGPICSWCYVXCW-UHFFFAOYSA-N -1 3 222.244 0.306 20 0 BCADHM CN(CCc1ccccc1)Cc1nc(=O)n(C)[n-]1 ZINC000347387354 386375419 /nfs/dbraw/zinc/37/54/19/386375419.db2.gz BMNYCWINYDNYMK-UHFFFAOYSA-N -1 3 246.314 0.783 20 0 BCADHM CCCN(Cc1nc(=O)n(C)[n-]1)CC(C)C ZINC000347398197 386385113 /nfs/dbraw/zinc/38/51/13/386385113.db2.gz HOVPJTAJNALWEF-UHFFFAOYSA-N -1 3 226.324 0.976 20 0 BCADHM Cc1cc(C(=O)NCCOC(N)=O)ccc1[O-] ZINC000227058264 386452729 /nfs/dbraw/zinc/45/27/29/386452729.db2.gz BOIGIYPTIJZAMH-UHFFFAOYSA-N -1 3 238.243 0.526 20 0 BCADHM CC[C@@H](CSC)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000347547708 386446264 /nfs/dbraw/zinc/44/62/64/386446264.db2.gz XVYLRUANTFSDNP-QMMMGPOBSA-N -1 3 244.364 0.682 20 0 BCADHM C[C@H](C(=O)Nc1nnn[n-]1)[C@H](N)c1ccccc1 ZINC000237588960 386394138 /nfs/dbraw/zinc/39/41/38/386394138.db2.gz JTIFIAYNYLJWHN-CBAPKCEASA-N -1 3 246.274 0.474 20 0 BCADHM CO[C@@H](C(=O)Nc1nnc(SC)[n-]1)C1CC1 ZINC000298904624 386397280 /nfs/dbraw/zinc/39/72/80/386397280.db2.gz NZPAYDVNTDFVRX-ZCFIWIBFSA-N -1 3 242.304 0.890 20 0 BCADHM CO[C@@H](C(=O)Nc1nc(SC)n[n-]1)C1CC1 ZINC000298904624 386397284 /nfs/dbraw/zinc/39/72/84/386397284.db2.gz NZPAYDVNTDFVRX-ZCFIWIBFSA-N -1 3 242.304 0.890 20 0 BCADHM CO[C@@H](C(=O)Nc1n[n-]c(SC)n1)C1CC1 ZINC000298904624 386397287 /nfs/dbraw/zinc/39/72/87/386397287.db2.gz NZPAYDVNTDFVRX-ZCFIWIBFSA-N -1 3 242.304 0.890 20 0 BCADHM Cn1cc(CNC2(C(=O)[O-])CCCCC2)nn1 ZINC000417571519 386399497 /nfs/dbraw/zinc/39/94/97/386399497.db2.gz FMAIGJLMJDUJBN-UHFFFAOYSA-N -1 3 238.291 0.692 20 0 BCADHM CC(C)OCCCN(C)Cc1nc(=O)n(C)[n-]1 ZINC000347446908 386407116 /nfs/dbraw/zinc/40/71/16/386407116.db2.gz VDWXRINEDAGMPW-UHFFFAOYSA-N -1 3 242.323 0.355 20 0 BCADHM Cn1[n-]c(CN(CC2CC2)CC2CC2)nc1=O ZINC000347457220 386412748 /nfs/dbraw/zinc/41/27/48/386412748.db2.gz CZZZMFBMLYSMEJ-UHFFFAOYSA-N -1 3 236.319 0.730 20 0 BCADHM CN1CC2(C1)CCN(C(=O)c1cncc([O-])c1)C2 ZINC000398814838 386473833 /nfs/dbraw/zinc/47/38/33/386473833.db2.gz MAUJCTSUIZDEER-UHFFFAOYSA-N -1 3 247.298 0.565 20 0 BCADHM COC(=O)c1cc(C(=O)Nc2ccnn2C)c[n-]1 ZINC000339623034 386490967 /nfs/dbraw/zinc/49/09/67/386490967.db2.gz MHVWBQOCUUPNLA-UHFFFAOYSA-N -1 3 248.242 0.787 20 0 BCADHM COC[C@@H](CNC(=O)c1cccc([O-])c1)OC ZINC000227699359 386501509 /nfs/dbraw/zinc/50/15/09/386501509.db2.gz HLCQNDJFJOBNEW-LLVKDONJSA-N -1 3 239.271 0.783 20 0 BCADHM COC[C@H](CNCc1nc(C)ccc1[O-])OC ZINC000227707011 386504870 /nfs/dbraw/zinc/50/48/70/386504870.db2.gz MSEOZKDWMFEVME-JTQLQIEISA-N -1 3 240.303 0.847 20 0 BCADHM O=C(c1cncc([O-])c1)N1CCn2cncc2C1 ZINC000291161246 386517998 /nfs/dbraw/zinc/51/79/98/386517998.db2.gz QRJSLVKSPOPGAY-UHFFFAOYSA-N -1 3 244.254 0.640 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCC(F)(F)CO ZINC000519653195 386519636 /nfs/dbraw/zinc/51/96/36/386519636.db2.gz RRDBLIOVOHRVDO-UHFFFAOYSA-N -1 3 246.213 0.074 20 0 BCADHM CCc1cc(C(=O)N2CCNC(=O)C2)ccc1[O-] ZINC000291447128 386546312 /nfs/dbraw/zinc/54/63/12/386546312.db2.gz LJDOSNYBUILCQU-UHFFFAOYSA-N -1 3 248.282 0.527 20 0 BCADHM C[C@@H]([N-]C(=O)C(F)F)C(=O)NCc1ccco1 ZINC000278640022 386558262 /nfs/dbraw/zinc/55/82/62/386558262.db2.gz LJBDEDMLGRADFJ-ZCFIWIBFSA-N -1 3 246.213 0.666 20 0 BCADHM C[C@H](C[C@H](C)O)NC(=O)c1cccc2nn[n-]c21 ZINC000525872986 386619457 /nfs/dbraw/zinc/61/94/57/386619457.db2.gz MJIGNDDTYVSTHU-SFYZADRCSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@H](C[C@H](C)O)NC(=O)c1cccc2[n-]nnc21 ZINC000525872986 386619462 /nfs/dbraw/zinc/61/94/62/386619462.db2.gz MJIGNDDTYVSTHU-SFYZADRCSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@H](C[C@H](C)O)NC(=O)c1cccc2n[n-]nc21 ZINC000525872986 386619470 /nfs/dbraw/zinc/61/94/70/386619470.db2.gz MJIGNDDTYVSTHU-SFYZADRCSA-N -1 3 248.286 0.847 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CCC[C@@H](O)C2)n1 ZINC000268244449 386632579 /nfs/dbraw/zinc/63/25/79/386632579.db2.gz SCPZAYCIZXIZLG-SNVBAGLBSA-N -1 3 237.303 0.701 20 0 BCADHM O=C(N[C@@H]1CCC[C@H](F)C1)c1c[n-]nn1 ZINC000335507740 386641508 /nfs/dbraw/zinc/64/15/08/386641508.db2.gz AKYLUSVOWUKFDO-NKWVEPMBSA-N -1 3 212.228 0.815 20 0 BCADHM O=C(N[C@@H]1CCC[C@H](F)C1)c1cnn[n-]1 ZINC000335507740 386641513 /nfs/dbraw/zinc/64/15/13/386641513.db2.gz AKYLUSVOWUKFDO-NKWVEPMBSA-N -1 3 212.228 0.815 20 0 BCADHM O=C(N[C@@H]1CCC[C@H](F)C1)c1cn[n-]n1 ZINC000335507740 386641516 /nfs/dbraw/zinc/64/15/16/386641516.db2.gz AKYLUSVOWUKFDO-NKWVEPMBSA-N -1 3 212.228 0.815 20 0 BCADHM Cn1cc(C(=O)Nc2cccc([O-])c2F)nn1 ZINC000520306710 386644589 /nfs/dbraw/zinc/64/45/89/386644589.db2.gz FOLUCQUHJDDJRQ-UHFFFAOYSA-N -1 3 236.206 0.912 20 0 BCADHM CC[C@@H](C)[C@@H](NC(=O)c1c[n-]nn1)C(=O)OC ZINC000096475042 386603702 /nfs/dbraw/zinc/60/37/02/386603702.db2.gz WLAVYTIUADVCFC-HTRCEHHLSA-N -1 3 240.263 0.122 20 0 BCADHM CC[C@@H](C)[C@@H](NC(=O)c1cnn[n-]1)C(=O)OC ZINC000096475042 386603706 /nfs/dbraw/zinc/60/37/06/386603706.db2.gz WLAVYTIUADVCFC-HTRCEHHLSA-N -1 3 240.263 0.122 20 0 BCADHM CC[C@@H](C)[C@@H](NC(=O)c1cn[n-]n1)C(=O)OC ZINC000096475042 386603710 /nfs/dbraw/zinc/60/37/10/386603710.db2.gz WLAVYTIUADVCFC-HTRCEHHLSA-N -1 3 240.263 0.122 20 0 BCADHM Cc1ccc(C(=O)N2CC(O)C2)c([O-])c1 ZINC000062808724 386615102 /nfs/dbraw/zinc/61/51/02/386615102.db2.gz WCIZGJCMWLCYRI-UHFFFAOYSA-N -1 3 207.229 0.517 20 0 BCADHM Cc1cc(C(=O)NCc2ccn(C)c2)[n-]c(=O)n1 ZINC000268545347 386660922 /nfs/dbraw/zinc/66/09/22/386660922.db2.gz ASNAOLVYPLZCHU-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM OC[C@@H](CC1CCC1)N=c1ncnc2[nH][n-]cc1-2 ZINC000520418004 386669912 /nfs/dbraw/zinc/66/99/12/386669912.db2.gz RFTNHMUEMMEIOD-SECBINFHSA-N -1 3 247.302 0.689 20 0 BCADHM CCC[C@@H](O)CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268624263 386670703 /nfs/dbraw/zinc/67/07/03/386670703.db2.gz VUZSBHXJRFRWFP-MRVPVSSYSA-N -1 3 239.275 0.381 20 0 BCADHM Cc1nnsc1C[N-]C(=O)C(F)F ZINC000293847008 386671156 /nfs/dbraw/zinc/67/11/56/386671156.db2.gz DVQPPUFYUNLFBY-UHFFFAOYSA-N -1 3 207.205 0.728 20 0 BCADHM CC[C@@](C)(CO)C(=O)NCc1ncccc1[O-] ZINC000520426176 386672224 /nfs/dbraw/zinc/67/22/24/386672224.db2.gz AJFOCKJFXQNYPD-LBPRGKRZSA-N -1 3 238.287 0.812 20 0 BCADHM Cc1cc(C(=O)NC[C@@H]2C[C@H]2C)[n-]c(=O)n1 ZINC000268654879 386675307 /nfs/dbraw/zinc/67/53/07/386675307.db2.gz PKABQAWFBLUPEU-SVRRBLITSA-N -1 3 221.260 0.876 20 0 BCADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CC(F)C1 ZINC000335530519 386677606 /nfs/dbraw/zinc/67/76/06/386677606.db2.gz NAGBPYKBJRDUFN-UHFFFAOYSA-N -1 3 248.213 0.364 20 0 BCADHM C[C@]1(CO)CCCN1C(=O)c1csc(=O)[n-]1 ZINC000526923479 386696403 /nfs/dbraw/zinc/69/64/03/386696403.db2.gz HTUXAHISSHCCTD-SNVBAGLBSA-N -1 3 242.300 0.836 20 0 BCADHM CO[C@@H](CNc1nc2nncc-2c(O)[n-]1)C1CC1 ZINC000292652317 386703604 /nfs/dbraw/zinc/70/36/04/386703604.db2.gz BUEBTDBFHCBMDZ-QMMMGPOBSA-N -1 3 249.274 0.895 20 0 BCADHM COC(=O)CCCC(=O)Nc1ccncc1[O-] ZINC000357318177 386758397 /nfs/dbraw/zinc/75/83/97/386758397.db2.gz WDOAZZJKXCQTJV-UHFFFAOYSA-N -1 3 238.243 0.491 20 0 BCADHM CO[C@](C)(C[N-]S(=O)(=O)C1COC1)C1CC1 ZINC000329659311 386758908 /nfs/dbraw/zinc/75/89/08/386758908.db2.gz NSPAZSJYJMKNQB-SNVBAGLBSA-N -1 3 249.332 0.120 20 0 BCADHM COCCCNC(=O)c1ccc(O)cc1[O-] ZINC000192889437 386764594 /nfs/dbraw/zinc/76/45/94/386764594.db2.gz XKACFOQCJXSYKQ-UHFFFAOYSA-N -1 3 225.244 0.864 20 0 BCADHM CSCCON=C([O-])Nc1cnn(C)c1 ZINC000280022811 386770554 /nfs/dbraw/zinc/77/05/54/386770554.db2.gz VHDPTFKWKSNVHN-UHFFFAOYSA-N -1 3 230.293 0.836 20 0 BCADHM CSCCO[N-]C(=O)Nc1cnn(C)c1 ZINC000280022811 386770560 /nfs/dbraw/zinc/77/05/60/386770560.db2.gz VHDPTFKWKSNVHN-UHFFFAOYSA-N -1 3 230.293 0.836 20 0 BCADHM CSCCO[N-]C(=O)[C@H]1C[C@H]1c1nnc[nH]1 ZINC000366539992 386774143 /nfs/dbraw/zinc/77/41/43/386774143.db2.gz MECUZIGNTOCWDT-RQJHMYQMSA-N -1 3 242.304 0.319 20 0 BCADHM CCOCCS(=O)(=O)[N-]Cc1ncoc1C ZINC000330543515 386784482 /nfs/dbraw/zinc/78/44/82/386784482.db2.gz UBDGSJNBFXRNEX-UHFFFAOYSA-N -1 3 248.304 0.439 20 0 BCADHM CC[C@](C)(OC)C(=O)[N-]c1nncn1C ZINC000280283601 386797105 /nfs/dbraw/zinc/79/71/05/386797105.db2.gz PXFSQVCDRPTLLG-VIFPVBQESA-N -1 3 212.253 0.569 20 0 BCADHM O=S(=O)(CC1CCC1)[N-]Cc1ccno1 ZINC000329776685 386803762 /nfs/dbraw/zinc/80/37/62/386803762.db2.gz KCJJZVLMAMNGRB-UHFFFAOYSA-N -1 3 230.289 0.894 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@H]2C=CCCC2)c1 ZINC000329805229 386806022 /nfs/dbraw/zinc/80/60/22/386806022.db2.gz MTSNAEDCCKNRRZ-VIFPVBQESA-N -1 3 241.316 0.807 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c1 ZINC000329805228 386806129 /nfs/dbraw/zinc/80/61/29/386806129.db2.gz MTSNAEDCCKNRRZ-SECBINFHSA-N -1 3 241.316 0.807 20 0 BCADHM O=C([N-]c1nnc2n1CCCC2)C(F)F ZINC000280418978 386811023 /nfs/dbraw/zinc/81/10/23/386811023.db2.gz ZSXMJCYUOPCXOT-UHFFFAOYSA-N -1 3 216.191 0.818 20 0 BCADHM CC[C@H](OC)C(=O)[N-]c1nncn1CC ZINC000330630828 386824540 /nfs/dbraw/zinc/82/45/40/386824540.db2.gz DORZIWAAZDIBJO-ZETCQYMHSA-N -1 3 212.253 0.662 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330668094 386815944 /nfs/dbraw/zinc/81/59/44/386815944.db2.gz YVVXUEICNKMXDM-ZETCQYMHSA-N -1 3 247.272 0.428 20 0 BCADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)CC2CC2)n1 ZINC000330055022 386826014 /nfs/dbraw/zinc/82/60/14/386826014.db2.gz SYMQTZFYKYSDLW-ZCFIWIBFSA-N -1 3 245.304 0.768 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C(C)C)o1 ZINC000330637290 386827708 /nfs/dbraw/zinc/82/77/08/386827708.db2.gz ACQPHSJFKULAET-VIFPVBQESA-N -1 3 247.316 0.883 20 0 BCADHM CCN(C(=O)c1ccc2n[n-]nc2c1)[C@H](C)CO ZINC000293583211 386842234 /nfs/dbraw/zinc/84/22/34/386842234.db2.gz GADZTSJWKDSWIX-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM O=C(Nc1ccc([O-])cc1F)C(=O)NC1CC1 ZINC000334786881 386846834 /nfs/dbraw/zinc/84/68/34/386846834.db2.gz MDYYWQYBTXEIRS-UHFFFAOYSA-N -1 3 238.218 0.748 20 0 BCADHM CC/C=C/CCN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000341305489 386892007 /nfs/dbraw/zinc/89/20/07/386892007.db2.gz VIWMMQYSEPTDLQ-HMDXOVGESA-N -1 3 237.303 0.579 20 0 BCADHM CC[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCO1 ZINC000336744417 386855050 /nfs/dbraw/zinc/85/50/50/386855050.db2.gz UXEZYPUGHMPKAZ-JGVFFNPUSA-N -1 3 226.280 0.558 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)C2(C)CC2)n1 ZINC000349635668 386894194 /nfs/dbraw/zinc/89/41/94/386894194.db2.gz YWRCWXCATLNXJS-UHFFFAOYSA-N -1 3 238.247 0.259 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)C2(C)CC2)[n-]1 ZINC000349635668 386894201 /nfs/dbraw/zinc/89/42/01/386894201.db2.gz YWRCWXCATLNXJS-UHFFFAOYSA-N -1 3 238.247 0.259 20 0 BCADHM COC(=O)Cc1nc(NC(=O)C2(C)CC2)n[n-]1 ZINC000349635668 386894211 /nfs/dbraw/zinc/89/42/11/386894211.db2.gz YWRCWXCATLNXJS-UHFFFAOYSA-N -1 3 238.247 0.259 20 0 BCADHM Cc1noc(CCC(=O)[N-]OCC2CC2)n1 ZINC000293759528 386874626 /nfs/dbraw/zinc/87/46/26/386874626.db2.gz LKJUOHANNJXRGD-UHFFFAOYSA-N -1 3 225.248 0.768 20 0 BCADHM CO[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1(C)C ZINC000331740796 386888036 /nfs/dbraw/zinc/88/80/36/386888036.db2.gz ANSVUSCXCLRMFE-NKWVEPMBSA-N -1 3 226.280 0.413 20 0 BCADHM CO[C@H](C[N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000293922365 386902541 /nfs/dbraw/zinc/90/25/41/386902541.db2.gz XZQBSSNHQSGELS-SECBINFHSA-N -1 3 245.300 0.983 20 0 BCADHM CC(=O)c1ccc(C(=O)N2CC(O)C2)cc1[O-] ZINC000331908611 386924245 /nfs/dbraw/zinc/92/42/45/386924245.db2.gz FXRXIQCRUSMDOC-UHFFFAOYSA-N -1 3 235.239 0.412 20 0 BCADHM C[C@@H]1C[C@H](C(=O)NCc2ncccc2[O-])CO1 ZINC000331022165 386936977 /nfs/dbraw/zinc/93/69/77/386936977.db2.gz QABZQEUDWJJYHX-BDAKNGLRSA-N -1 3 236.271 0.828 20 0 BCADHM COC[C@H](C)CC(=O)Nc1ccncc1[O-] ZINC000358362063 386940899 /nfs/dbraw/zinc/94/08/99/386940899.db2.gz WUTJGLNXIPMVEG-MRVPVSSYSA-N -1 3 224.260 0.820 20 0 BCADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](C)O)c1 ZINC000334817744 386944410 /nfs/dbraw/zinc/94/44/10/386944410.db2.gz INFGLTMLTFPOEA-SSDOTTSWSA-N -1 3 235.330 0.716 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCOC2)o1 ZINC000358459403 386959934 /nfs/dbraw/zinc/95/99/34/386959934.db2.gz GLZFVDDANATZIR-SECBINFHSA-N -1 3 245.300 0.903 20 0 BCADHM CCOCC[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000331130817 386983263 /nfs/dbraw/zinc/98/32/63/386983263.db2.gz OXQQCWADUQOQHV-UHFFFAOYSA-N -1 3 248.304 0.439 20 0 BCADHM COC[C@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358585811 386983803 /nfs/dbraw/zinc/98/38/03/386983803.db2.gz HJGSHOGOHSXUAN-ZETCQYMHSA-N -1 3 233.289 0.901 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CCN2CCC2)o1 ZINC000358593968 386984943 /nfs/dbraw/zinc/98/49/43/386984943.db2.gz BQCNXOALLLEGIU-UHFFFAOYSA-N -1 3 244.316 0.572 20 0 BCADHM CC(C)NC(=O)NCc1ncccc1[O-] ZINC000334913060 386985388 /nfs/dbraw/zinc/98/53/88/386985388.db2.gz SUNKZWWOEIGYND-UHFFFAOYSA-N -1 3 209.249 0.995 20 0 BCADHM CCC[C@@H]([N-]S(=O)(=O)C1CC1)C(=O)OC ZINC000358610670 386986488 /nfs/dbraw/zinc/98/64/88/386986488.db2.gz MZKNOOJXVSUSDC-MRVPVSSYSA-N -1 3 235.305 0.410 20 0 BCADHM CCC[C@H]([N-]S(=O)(=O)C1CC1)C(=O)OC ZINC000358610679 386987619 /nfs/dbraw/zinc/98/76/19/386987619.db2.gz MZKNOOJXVSUSDC-QMMMGPOBSA-N -1 3 235.305 0.410 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CC2CC=CC2)n1 ZINC000528472270 386987674 /nfs/dbraw/zinc/98/76/74/386987674.db2.gz XFVDSEGLROLCRA-UHFFFAOYSA-N -1 3 241.316 0.665 20 0 BCADHM CC(=O)c1ccc(C(=O)N2CC[C@H](O)C2)cc1[O-] ZINC000331239714 386997133 /nfs/dbraw/zinc/99/71/33/386997133.db2.gz OQMCZNRCBHKSDW-JTQLQIEISA-N -1 3 249.266 0.802 20 0 BCADHM CC(C)[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000332736815 387006422 /nfs/dbraw/zinc/00/64/22/387006422.db2.gz YXSVFANMQADVSS-QMMMGPOBSA-N -1 3 210.281 0.988 20 0 BCADHM C[C@@H](O)C[C@H](C)CNC(=O)c1csc(=O)[n-]1 ZINC000334052818 387052915 /nfs/dbraw/zinc/05/29/15/387052915.db2.gz WWTCKBITMQVJBE-NKWVEPMBSA-N -1 3 244.316 0.986 20 0 BCADHM Cc1noc(C[N-]S(=O)(=O)CC2CC2)n1 ZINC000333339391 387028445 /nfs/dbraw/zinc/02/84/45/387028445.db2.gz SLFMPQMPENBTTR-UHFFFAOYSA-N -1 3 231.277 0.207 20 0 BCADHM CN(C)C[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000111740054 387086956 /nfs/dbraw/zinc/08/69/56/387086956.db2.gz KIHKBVFKUYJENH-NSHDSACASA-N -1 3 249.314 0.953 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000370445316 387117235 /nfs/dbraw/zinc/11/72/35/387117235.db2.gz SYGXRVVCNQOMKP-GXSJLCMTSA-N -1 3 229.276 0.497 20 0 BCADHM CN1CCO[C@@H]2CN(Cc3ncccc3[O-])C[C@@H]21 ZINC000571769874 387164633 /nfs/dbraw/zinc/16/46/33/387164633.db2.gz RUFLJDRUPBPHBA-WCQYABFASA-N -1 3 249.314 0.302 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C2CC(C)(F)C2)c1 ZINC000336303637 387133722 /nfs/dbraw/zinc/13/37/22/387133722.db2.gz MXMNKSJUKYNTCP-UHFFFAOYSA-N -1 3 247.295 0.589 20 0 BCADHM CN(C)c1cc(NC(=O)c2cnn[n-]2)ccn1 ZINC000359634209 387138571 /nfs/dbraw/zinc/13/85/71/387138571.db2.gz ALRVWVWDROVLOC-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CN(C)c1cc(NC(=O)c2c[n-]nn2)ccn1 ZINC000359634209 387138577 /nfs/dbraw/zinc/13/85/77/387138577.db2.gz ALRVWVWDROVLOC-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CN(C)c1cc(NC(=O)c2cn[n-]n2)ccn1 ZINC000359634209 387138580 /nfs/dbraw/zinc/13/85/80/387138580.db2.gz ALRVWVWDROVLOC-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CC[C@H](O)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000230024712 387228750 /nfs/dbraw/zinc/22/87/50/387228750.db2.gz UKERVGPJWZDWFO-QMMMGPOBSA-N -1 3 248.279 0.270 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)[C@H]2CCOC2)n1 ZINC000120382303 387235010 /nfs/dbraw/zinc/23/50/10/387235010.db2.gz JBGKVJAFUBJNFA-JTQLQIEISA-N -1 3 237.303 0.965 20 0 BCADHM C[C@@H](CO)CCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000230152709 387235564 /nfs/dbraw/zinc/23/55/64/387235564.db2.gz YOEDJJNQEAACOQ-MRVPVSSYSA-N -1 3 247.320 0.097 20 0 BCADHM COCCOCC(=O)[N-]c1onc(C)c1C ZINC000229763322 387195704 /nfs/dbraw/zinc/19/57/04/387195704.db2.gz FAUYIYYEPLXMSG-UHFFFAOYSA-N -1 3 228.248 0.893 20 0 BCADHM Cc1ncc(CNC(=O)[C@@]2(C)C[C@@H]2F)c(=O)[n-]1 ZINC000424756286 387314712 /nfs/dbraw/zinc/31/47/12/387314712.db2.gz GCPIUYYLESUZKD-KWQFWETISA-N -1 3 239.250 0.855 20 0 BCADHM CO[C@H](C)CCC(=O)Nc1ccncc1[O-] ZINC000360594701 387316345 /nfs/dbraw/zinc/31/63/45/387316345.db2.gz JAFPLYDCTPIRIB-MRVPVSSYSA-N -1 3 224.260 0.963 20 0 BCADHM C[C@H](NC(N)=O)C(=O)Nc1ccc([O-])cc1F ZINC000360668464 387333137 /nfs/dbraw/zinc/33/31/37/387333137.db2.gz HVNGUVHAKWVWNN-YFKPBYRVSA-N -1 3 241.222 0.527 20 0 BCADHM Cn1cnnc1[N-]C(=O)COCC1CCCC1 ZINC000515131707 387337371 /nfs/dbraw/zinc/33/73/71/387337371.db2.gz MEOFQJMFDLFYIT-UHFFFAOYSA-N -1 3 238.291 0.960 20 0 BCADHM Cc1ccnc(N(C)C[C@@H](C)c2nnn[n-]2)n1 ZINC000095333356 387454925 /nfs/dbraw/zinc/45/49/25/387454925.db2.gz QRZIYXOZEJEDPV-SSDOTTSWSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1ccnc(N(C)C[C@@H](C)c2nn[n-]n2)n1 ZINC000095333356 387454930 /nfs/dbraw/zinc/45/49/30/387454930.db2.gz QRZIYXOZEJEDPV-SSDOTTSWSA-N -1 3 233.279 0.538 20 0 BCADHM O=C(c1cccc([O-])c1)N1CCn2ncnc2C1 ZINC000354511869 387387682 /nfs/dbraw/zinc/38/76/82/387387682.db2.gz NFIOROQMXNAFCA-UHFFFAOYSA-N -1 3 244.254 0.640 20 0 BCADHM COC[C@H]1CCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354585786 387400207 /nfs/dbraw/zinc/40/02/07/387400207.db2.gz IXLPJNXGWCDMMS-ZETCQYMHSA-N -1 3 248.290 0.190 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@@H]1[C@H]2CCCO[C@H]21 ZINC000527190415 387523814 /nfs/dbraw/zinc/52/38/14/387523814.db2.gz FSPVECVWYUMYQH-GGZOMVNGSA-N -1 3 248.282 0.828 20 0 BCADHM CCCn1c(=O)[n-]nc1S(=O)(=O)CCF ZINC000361499227 387474288 /nfs/dbraw/zinc/47/42/88/387474288.db2.gz PXKQKQVBYGRVTE-UHFFFAOYSA-N -1 3 237.256 0.137 20 0 BCADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000361962448 387555757 /nfs/dbraw/zinc/55/57/57/387555757.db2.gz DBPWSJDNWNKIQM-QMMMGPOBSA-N -1 3 249.332 0.310 20 0 BCADHM CC[C@H](O)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000422138311 387576743 /nfs/dbraw/zinc/57/67/43/387576743.db2.gz ZCMXNOIOEYNQGG-VIFPVBQESA-N -1 3 241.262 0.961 20 0 BCADHM COC[C@@H](C)CC(=O)Nc1nnc(OC)[n-]1 ZINC000129591480 387773986 /nfs/dbraw/zinc/77/39/86/387773986.db2.gz URHCXLFULZLOBY-LURJTMIESA-N -1 3 228.252 0.424 20 0 BCADHM COC[C@@H](C)CC(=O)Nc1n[n-]c(OC)n1 ZINC000129591480 387773992 /nfs/dbraw/zinc/77/39/92/387773992.db2.gz URHCXLFULZLOBY-LURJTMIESA-N -1 3 228.252 0.424 20 0 BCADHM COC[C@@H](C)CC(=O)Nc1nc(OC)n[n-]1 ZINC000129591480 387773997 /nfs/dbraw/zinc/77/39/97/387773997.db2.gz URHCXLFULZLOBY-LURJTMIESA-N -1 3 228.252 0.424 20 0 BCADHM O=C1[N-]C(=O)N2CCN(CC3=CCCC3)C[C@@H]12 ZINC000645842433 387798676 /nfs/dbraw/zinc/79/86/76/387798676.db2.gz QNSAAQQZGJCZJW-JTQLQIEISA-N -1 3 235.287 0.333 20 0 BCADHM O=S(=O)([N-]CCN1CCC1)c1ccco1 ZINC000445712028 387959417 /nfs/dbraw/zinc/95/94/17/387959417.db2.gz NVVGNTJPPAWCKX-UHFFFAOYSA-N -1 3 230.289 0.264 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3C[C@@H]4OCCC[C@H]34)c1-2 ZINC000438900700 387963038 /nfs/dbraw/zinc/96/30/38/387963038.db2.gz NKBSUXIKGJLTBD-QNSHHTMESA-N -1 3 245.286 0.706 20 0 BCADHM O=C(COCC(F)F)NCc1ncccc1[O-] ZINC000626738593 387966773 /nfs/dbraw/zinc/96/67/73/387966773.db2.gz WZFJZRURBPLMGY-UHFFFAOYSA-N -1 3 246.213 0.685 20 0 BCADHM CC[C@H](C[C@H](C)CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000439714090 388015842 /nfs/dbraw/zinc/01/58/42/388015842.db2.gz KAPKSCIJLOUGLL-DTWKUNHWSA-N -1 3 249.318 0.935 20 0 BCADHM COc1cc(CNC(=O)c2c[n-]nn2)ccn1 ZINC000108453264 388023371 /nfs/dbraw/zinc/02/33/71/388023371.db2.gz JHBWHYDXOMQQKM-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1cc(CNC(=O)c2cnn[n-]2)ccn1 ZINC000108453264 388023376 /nfs/dbraw/zinc/02/33/76/388023376.db2.gz JHBWHYDXOMQQKM-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1cc(CNC(=O)c2cn[n-]n2)ccn1 ZINC000108453264 388023381 /nfs/dbraw/zinc/02/33/81/388023381.db2.gz JHBWHYDXOMQQKM-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM CO[C@@H](C)CCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646267456 388173699 /nfs/dbraw/zinc/17/36/99/388173699.db2.gz RWUPCEBMDUUTQZ-LURJTMIESA-N -1 3 238.251 0.206 20 0 BCADHM CC1(C(=O)[N-]c2nnc3[nH]cnn23)CC1 ZINC000646266457 388174005 /nfs/dbraw/zinc/17/40/05/388174005.db2.gz WDSJPSSSIRWWSB-UHFFFAOYSA-N -1 3 206.209 0.191 20 0 BCADHM Cc1nnsc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000488723582 388192890 /nfs/dbraw/zinc/19/28/90/388192890.db2.gz WUONSCGIFZPTSI-UHFFFAOYSA-N -1 3 247.287 0.498 20 0 BCADHM CC[C@H]1CN(CC)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000451745877 388293592 /nfs/dbraw/zinc/29/35/92/388293592.db2.gz YHDBQMVTSHPPTG-VIFPVBQESA-N -1 3 239.323 0.426 20 0 BCADHM C[C@]1(O)CCN(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000182079735 256606616 /nfs/dbraw/zinc/60/66/16/256606616.db2.gz KQGMLNMCKWGPFU-IBUXWKBASA-N -1 3 248.282 0.784 20 0 BCADHM CCOCCNC(=O)/C=C/c1cncc([O-])c1 ZINC000179435485 256607474 /nfs/dbraw/zinc/60/74/74/256607474.db2.gz OQXHHBQVOUKUDQ-ONEGZZNKSA-N -1 3 236.271 0.953 20 0 BCADHM O=C(C=CC1CCOCC1)Nc1nnn[n-]1 ZINC000491859849 388324888 /nfs/dbraw/zinc/32/48/88/388324888.db2.gz PWVBDTDERXLIPD-OWOJBTEDSA-N -1 3 223.236 0.121 20 0 BCADHM O=C(C=CC1CCOCC1)Nc1nn[n-]n1 ZINC000491859849 388324889 /nfs/dbraw/zinc/32/48/89/388324889.db2.gz PWVBDTDERXLIPD-OWOJBTEDSA-N -1 3 223.236 0.121 20 0 BCADHM O=C(/C=C/C1CCOCC1)Nc1nn[n-]n1 ZINC000491859849 388324890 /nfs/dbraw/zinc/32/48/90/388324890.db2.gz PWVBDTDERXLIPD-OWOJBTEDSA-N -1 3 223.236 0.121 20 0 BCADHM Cc1ncsc1/C=C/C(=O)[N-]OCCO ZINC000491971615 388330066 /nfs/dbraw/zinc/33/00/66/388330066.db2.gz ITJUOPJNQVZUJS-NSCUHMNNSA-N -1 3 228.273 0.505 20 0 BCADHM Cc1ncc(/C=C/C(=O)[N-]OCCO)s1 ZINC000491972219 388330274 /nfs/dbraw/zinc/33/02/74/388330274.db2.gz KRKZNVFWOHZECO-NSCUHMNNSA-N -1 3 228.273 0.505 20 0 BCADHM NC(=O)CO[N-]C(=O)/C=C\c1ccsc1 ZINC000492360919 388342583 /nfs/dbraw/zinc/34/25/83/388342583.db2.gz BALCILZLZMNHRO-UPHRSURJSA-N -1 3 226.257 0.294 20 0 BCADHM CCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000152829719 388345187 /nfs/dbraw/zinc/34/51/87/388345187.db2.gz VHEBGDAUSRUORO-UHFFFAOYSA-N -1 3 204.226 0.982 20 0 BCADHM CS(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1 ZINC000524228701 388351797 /nfs/dbraw/zinc/35/17/97/388351797.db2.gz WAQNRSOBRJVHRG-UHFFFAOYSA-N -1 3 238.272 0.843 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CCC1 ZINC000524387912 388357506 /nfs/dbraw/zinc/35/75/06/388357506.db2.gz QFOOWRYFZQPYKK-VIFPVBQESA-N -1 3 223.276 0.415 20 0 BCADHM CC[C@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000524395562 388357955 /nfs/dbraw/zinc/35/79/55/388357955.db2.gz BGSSHGYAAYHNHC-IONNQARKSA-N -1 3 225.292 0.661 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC1CC1 ZINC000524409912 388358484 /nfs/dbraw/zinc/35/84/84/388358484.db2.gz WUJRUHMBUZMPOM-SECBINFHSA-N -1 3 223.276 0.415 20 0 BCADHM C[C@H]1[C@@H](C)N(CC(=O)Nc2nnn[n-]2)C[C@H]1C ZINC000572706520 388369025 /nfs/dbraw/zinc/36/90/25/388369025.db2.gz QTOPERQCHYIUMK-BWZBUEFSSA-N -1 3 238.295 0.115 20 0 BCADHM C[C@H]1[C@@H](C)N(CC(=O)Nc2nn[n-]n2)C[C@H]1C ZINC000572706520 388369026 /nfs/dbraw/zinc/36/90/26/388369026.db2.gz QTOPERQCHYIUMK-BWZBUEFSSA-N -1 3 238.295 0.115 20 0 BCADHM O=C(NC[C@H](O)C(F)F)c1c([O-])cccc1O ZINC000236539728 388380342 /nfs/dbraw/zinc/38/03/42/388380342.db2.gz DIFULFIXUCVILW-ZETCQYMHSA-N -1 3 247.197 0.454 20 0 BCADHM [O-]c1cccnc1CN1CC[C@@H](CCO)C1 ZINC000572920587 388388806 /nfs/dbraw/zinc/38/88/06/388388806.db2.gz FNQHHQXDRGXPRR-JTQLQIEISA-N -1 3 222.288 0.992 20 0 BCADHM C[C@@H]1CN(C(=O)Cc2cncc([O-])c2)CCO1 ZINC000646612034 388394685 /nfs/dbraw/zinc/39/46/85/388394685.db2.gz YEQHBMRMLJIMQS-SECBINFHSA-N -1 3 236.271 0.577 20 0 BCADHM O=C(NC[C@H]1CCCC1(F)F)c1c[n-]nn1 ZINC000335415061 388450545 /nfs/dbraw/zinc/45/05/45/388450545.db2.gz GXVZCKIOQUEWBF-ZCFIWIBFSA-N -1 3 230.218 0.970 20 0 BCADHM O=C(NC[C@H]1CCCC1(F)F)c1cnn[n-]1 ZINC000335415061 388450546 /nfs/dbraw/zinc/45/05/46/388450546.db2.gz GXVZCKIOQUEWBF-ZCFIWIBFSA-N -1 3 230.218 0.970 20 0 BCADHM O=C(NC[C@H]1CCCC1(F)F)c1cn[n-]n1 ZINC000335415061 388450549 /nfs/dbraw/zinc/45/05/49/388450549.db2.gz GXVZCKIOQUEWBF-ZCFIWIBFSA-N -1 3 230.218 0.970 20 0 BCADHM C[C@@H]1CCC[C@@H](C)N1CCN=c1nn[n-]n1C ZINC000517393063 388549982 /nfs/dbraw/zinc/54/99/82/388549982.db2.gz HHFFVCLJADWMMH-NXEZZACHSA-N -1 3 238.339 0.307 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)c1cnccn1 ZINC000550084097 388598262 /nfs/dbraw/zinc/59/82/62/388598262.db2.gz GORZCKARZGAMAX-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)c1cnccn1 ZINC000550084097 388598263 /nfs/dbraw/zinc/59/82/63/388598263.db2.gz GORZCKARZGAMAX-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM COCCC(=O)Nc1[n-]cnc1C(=O)OC ZINC000550077678 388598787 /nfs/dbraw/zinc/59/87/87/388598787.db2.gz AGZNWNPQNBYHBY-UHFFFAOYSA-N -1 3 227.220 0.171 20 0 BCADHM COCCC(=O)Nc1nc[n-]c1C(=O)OC ZINC000550077678 388598789 /nfs/dbraw/zinc/59/87/89/388598789.db2.gz AGZNWNPQNBYHBY-UHFFFAOYSA-N -1 3 227.220 0.171 20 0 BCADHM C[C@H](O)CN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530165858 388617769 /nfs/dbraw/zinc/61/77/69/388617769.db2.gz IKWYUTYFESAKBC-XVKPBYJWSA-N -1 3 225.244 0.644 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1c[n-]nn1 ZINC000529988527 388601583 /nfs/dbraw/zinc/60/15/83/388601583.db2.gz WPFSQMJLBYUKCP-LKHWLPBLSA-N -1 3 224.264 0.346 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cnn[n-]1 ZINC000529988527 388601585 /nfs/dbraw/zinc/60/15/85/388601585.db2.gz WPFSQMJLBYUKCP-LKHWLPBLSA-N -1 3 224.264 0.346 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cn[n-]n1 ZINC000529988527 388601587 /nfs/dbraw/zinc/60/15/87/388601587.db2.gz WPFSQMJLBYUKCP-LKHWLPBLSA-N -1 3 224.264 0.346 20 0 BCADHM C[C@H]1CCN(CCNC(=O)c2cncc([O-])c2)C1 ZINC000550273080 388604410 /nfs/dbraw/zinc/60/44/10/388604410.db2.gz HTCXGQDEJPMFJZ-JTQLQIEISA-N -1 3 249.314 0.859 20 0 BCADHM O=C(NCC1COC1)c1ccc2n[n-]nc2c1 ZINC000530113017 388609905 /nfs/dbraw/zinc/60/99/05/388609905.db2.gz NZBCUDDODUNMDZ-UHFFFAOYSA-N -1 3 232.243 0.334 20 0 BCADHM O=C(NCC1COC1)c1ccc(O)cc1[O-] ZINC000530117591 388611068 /nfs/dbraw/zinc/61/10/68/388611068.db2.gz ZUKKJOXRWWLNDL-UHFFFAOYSA-N -1 3 223.228 0.474 20 0 BCADHM CCn1nc(C)cc1NC(=O)c1cnn[n-]1 ZINC000530128281 388612931 /nfs/dbraw/zinc/61/29/31/388612931.db2.gz QEASFZWYBGROBU-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM CCn1nc(C)cc1NC(=O)c1c[n-]nn1 ZINC000530128281 388612934 /nfs/dbraw/zinc/61/29/34/388612934.db2.gz QEASFZWYBGROBU-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM CCn1nc(C)cc1NC(=O)c1cn[n-]n1 ZINC000530128281 388612935 /nfs/dbraw/zinc/61/29/35/388612935.db2.gz QEASFZWYBGROBU-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM O=C([N-]c1nncn1C1CC1)C1(O)CCCC1 ZINC000285900847 388562872 /nfs/dbraw/zinc/56/28/72/388562872.db2.gz RYDGNHRJWFRFNU-UHFFFAOYSA-N -1 3 236.275 0.857 20 0 BCADHM COc1nnc(NC(=O)C=Cc2ccncn2)[n-]1 ZINC000182985430 388568776 /nfs/dbraw/zinc/56/87/76/388568776.db2.gz OZCCIDPXCICFFU-NSCUHMNNSA-N -1 3 246.230 0.255 20 0 BCADHM COc1nc(NC(=O)C=Cc2ccncn2)n[n-]1 ZINC000182985430 388568779 /nfs/dbraw/zinc/56/87/79/388568779.db2.gz OZCCIDPXCICFFU-NSCUHMNNSA-N -1 3 246.230 0.255 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2ccncn2)n1 ZINC000182985430 388568781 /nfs/dbraw/zinc/56/87/81/388568781.db2.gz OZCCIDPXCICFFU-NSCUHMNNSA-N -1 3 246.230 0.255 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000528764918 388569465 /nfs/dbraw/zinc/56/94/65/388569465.db2.gz PBIHHOPEBCYOPN-JVZYCSMKSA-N -1 3 226.280 0.412 20 0 BCADHM C[C@H](O)C[C@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000621950224 388686274 /nfs/dbraw/zinc/68/62/74/388686274.db2.gz LPLHCWSUGAJKFT-BQBZGAKWSA-N -1 3 242.250 0.816 20 0 BCADHM CO[C@@]1(C(=O)[O-])CCN(CCOCC(C)C)C1 ZINC000530171942 388620177 /nfs/dbraw/zinc/62/01/77/388620177.db2.gz SQOPJNFVURUPJP-LBPRGKRZSA-N -1 3 245.319 0.835 20 0 BCADHM CN(OCC(F)(F)F)C(=O)c1cn[n-]n1 ZINC000530259537 388640991 /nfs/dbraw/zinc/64/09/91/388640991.db2.gz ZYKXPOAMSZTTNU-UHFFFAOYSA-N -1 3 224.142 0.371 20 0 BCADHM CCn1cc([N-]S(=O)(=O)N2CCC2)cn1 ZINC000551936317 388648813 /nfs/dbraw/zinc/64/88/13/388648813.db2.gz DVQUAAAYBBCEDW-UHFFFAOYSA-N -1 3 230.293 0.265 20 0 BCADHM OCc1nnc(Sc2ncccn2)[n-]1 ZINC000530352690 388651574 /nfs/dbraw/zinc/65/15/74/388651574.db2.gz VJVCTZDNQIUSRZ-UHFFFAOYSA-N -1 3 209.234 0.238 20 0 BCADHM OCc1n[n-]c(Sc2ncccn2)n1 ZINC000530352690 388651577 /nfs/dbraw/zinc/65/15/77/388651577.db2.gz VJVCTZDNQIUSRZ-UHFFFAOYSA-N -1 3 209.234 0.238 20 0 BCADHM OCc1nc(Sc2ncccn2)n[n-]1 ZINC000530352690 388651579 /nfs/dbraw/zinc/65/15/79/388651579.db2.gz VJVCTZDNQIUSRZ-UHFFFAOYSA-N -1 3 209.234 0.238 20 0 BCADHM CC[C@@H]1CN(C(=O)c2cncc([O-])c2)C[C@H](C)N1 ZINC000620898176 388652319 /nfs/dbraw/zinc/65/23/19/388652319.db2.gz QRCGXTMIHMKFAZ-GXSJLCMTSA-N -1 3 249.314 1.000 20 0 BCADHM COc1ccc([O-])c(C(=O)N[C@H](C)CCO)c1 ZINC000123523375 388655312 /nfs/dbraw/zinc/65/53/12/388655312.db2.gz YRYYIOJXQSYYSZ-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM Cc1ccoc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522254501 388735617 /nfs/dbraw/zinc/73/56/17/388735617.db2.gz PSPCHMCAJDSQRX-SECBINFHSA-N -1 3 249.270 0.830 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccoc1 ZINC000522254441 388736078 /nfs/dbraw/zinc/73/60/78/388736078.db2.gz CQHXJDBZILJMTE-SECBINFHSA-N -1 3 235.243 0.521 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1 ZINC000522289453 388746802 /nfs/dbraw/zinc/74/68/02/388746802.db2.gz GZUZNTIZHYLYLK-LLVKDONJSA-N -1 3 245.282 0.928 20 0 BCADHM NC(=O)NCCC(=O)Nc1cccc([O-])c1F ZINC000539356167 388754444 /nfs/dbraw/zinc/75/44/44/388754444.db2.gz OYHCVBYCHGPCDY-UHFFFAOYSA-N -1 3 241.222 0.528 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](CO)C2)n1 ZINC000248770419 388693129 /nfs/dbraw/zinc/69/31/29/388693129.db2.gz SQAOVUJQLWDXQU-VHSXEESVSA-N -1 3 237.303 0.866 20 0 BCADHM CCc1ncc(NC(=O)c2cnn[n-]2)cn1 ZINC000127174958 388717867 /nfs/dbraw/zinc/71/78/67/388717867.db2.gz CSUPPHREFMBFKX-UHFFFAOYSA-N -1 3 218.220 0.409 20 0 BCADHM CCc1ncc(NC(=O)c2c[n-]nn2)cn1 ZINC000127174958 388717869 /nfs/dbraw/zinc/71/78/69/388717869.db2.gz CSUPPHREFMBFKX-UHFFFAOYSA-N -1 3 218.220 0.409 20 0 BCADHM CCc1ncc(NC(=O)c2cn[n-]n2)cn1 ZINC000127174958 388717871 /nfs/dbraw/zinc/71/78/71/388717871.db2.gz CSUPPHREFMBFKX-UHFFFAOYSA-N -1 3 218.220 0.409 20 0 BCADHM CCCC(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225913892 388730534 /nfs/dbraw/zinc/73/05/34/388730534.db2.gz YQDMGAXDBAJHMU-UHFFFAOYSA-N -1 3 216.281 0.261 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCc2cnnn2C)c1 ZINC000288558688 388797413 /nfs/dbraw/zinc/79/74/13/388797413.db2.gz IYDOSQCWUDLCSS-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM N=c1nc(N2C[C@@H]3CCC[C@@H]3C2)nc2[nH][n-]cc1-2 ZINC000540392437 388803837 /nfs/dbraw/zinc/80/38/37/388803837.db2.gz IXTNGBKYFZZIME-OCAPTIKFSA-N -1 3 244.302 0.953 20 0 BCADHM CC[C@H](O)C[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000230024040 388810798 /nfs/dbraw/zinc/81/07/98/388810798.db2.gz RYMPBBZJCOHKNH-VIFPVBQESA-N -1 3 248.304 0.173 20 0 BCADHM C[C@@]1(NC(=O)Cc2cncc([O-])c2)CCOC1 ZINC000553544101 388782271 /nfs/dbraw/zinc/78/22/71/388782271.db2.gz IAOSAENGBFCGBQ-GFCCVEGCSA-N -1 3 236.271 0.625 20 0 BCADHM COc1nnc(NC(=O)C=Cc2ccnn2C)[n-]1 ZINC000129403789 388839553 /nfs/dbraw/zinc/83/95/53/388839553.db2.gz IHJUQGGNLXUEFS-ONEGZZNKSA-N -1 3 248.246 0.199 20 0 BCADHM COc1nc(NC(=O)C=Cc2ccnn2C)n[n-]1 ZINC000129403789 388839556 /nfs/dbraw/zinc/83/95/56/388839556.db2.gz IHJUQGGNLXUEFS-ONEGZZNKSA-N -1 3 248.246 0.199 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2ccnn2C)n1 ZINC000129403789 388839560 /nfs/dbraw/zinc/83/95/60/388839560.db2.gz IHJUQGGNLXUEFS-ONEGZZNKSA-N -1 3 248.246 0.199 20 0 BCADHM CCC[C@](C)(O)CNC(=O)c1c[n-]nn1 ZINC000231685245 388840156 /nfs/dbraw/zinc/84/01/56/388840156.db2.gz IMTQUYPXPVOYMO-VIFPVBQESA-N -1 3 212.253 0.086 20 0 BCADHM CCC[C@](C)(O)CNC(=O)c1cnn[n-]1 ZINC000231685245 388840160 /nfs/dbraw/zinc/84/01/60/388840160.db2.gz IMTQUYPXPVOYMO-VIFPVBQESA-N -1 3 212.253 0.086 20 0 BCADHM CCC[C@](C)(O)CNC(=O)c1cn[n-]n1 ZINC000231685245 388840162 /nfs/dbraw/zinc/84/01/62/388840162.db2.gz IMTQUYPXPVOYMO-VIFPVBQESA-N -1 3 212.253 0.086 20 0 BCADHM CCO[C@H]1C[C@@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000555972729 388863525 /nfs/dbraw/zinc/86/35/25/388863525.db2.gz LYRMVSVRBXBMNU-UWVGGRQHSA-N -1 3 246.270 0.865 20 0 BCADHM CCO[C@H]1C[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000555972729 388863529 /nfs/dbraw/zinc/86/35/29/388863529.db2.gz LYRMVSVRBXBMNU-UWVGGRQHSA-N -1 3 246.270 0.865 20 0 BCADHM CCO[C@H]1C[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000555972729 388863531 /nfs/dbraw/zinc/86/35/31/388863531.db2.gz LYRMVSVRBXBMNU-UWVGGRQHSA-N -1 3 246.270 0.865 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000564891225 388897265 /nfs/dbraw/zinc/89/72/65/388897265.db2.gz UGISCUJSWLOWGX-DIYOJNKTSA-N -1 3 241.316 0.497 20 0 BCADHM CCN(CCOCC(=O)[O-])C[C@H]1CCCO1 ZINC000565956230 388981484 /nfs/dbraw/zinc/98/14/84/388981484.db2.gz DBUAULMSKNGCFI-SNVBAGLBSA-N -1 3 231.292 0.589 20 0 BCADHM CC(C)(O)CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000274880163 389049703 /nfs/dbraw/zinc/04/97/03/389049703.db2.gz YUBYVPXVLLRTDM-UHFFFAOYSA-N -1 3 248.286 0.849 20 0 BCADHM Cc1ccc([O-])c(CN[C@]2(CO)CCOC2)n1 ZINC000273350774 389038783 /nfs/dbraw/zinc/03/87/83/389038783.db2.gz AZLLFCCPWKRJSO-LBPRGKRZSA-N -1 3 238.287 0.337 20 0 BCADHM C[C@@H](O)CN(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000493799304 533640166 /nfs/dbraw/zinc/64/01/66/533640166.db2.gz XRUQRIQYZXOFOP-CDAZIORVSA-N -1 3 236.271 0.640 20 0 BCADHM C[C@H]1CN(Cc2nc(=O)[n-][nH]2)c2ccccc2O1 ZINC000271578974 132199608 /nfs/dbraw/zinc/19/96/08/132199608.db2.gz BNRLJFBKCFKCHP-QMMMGPOBSA-N -1 3 246.270 0.886 20 0 BCADHM C[C@H]1CCCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000341934480 132226845 /nfs/dbraw/zinc/22/68/45/132226845.db2.gz MUZIUKXPFLPONU-ZETCQYMHSA-N -1 3 232.291 0.953 20 0 BCADHM Oc1[n-]c(N2CCC[C@@H](F)C2)nc2nncc1-2 ZINC000329745513 132244396 /nfs/dbraw/zinc/24/43/96/132244396.db2.gz YLECWXUVBVOGDH-ZCFIWIBFSA-N -1 3 237.238 0.997 20 0 BCADHM C[C@]1(O)CCCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354566056 132269592 /nfs/dbraw/zinc/26/95/92/132269592.db2.gz KUKZYWDNLOYTRS-NSHDSACASA-N -1 3 248.290 0.068 20 0 BCADHM N=c1nc(N2CCC[C@@H](F)C2)nc2[nH][n-]cc1-2 ZINC000357690532 132274463 /nfs/dbraw/zinc/27/44/63/132274463.db2.gz ZQYMIOVZHIISFE-ZCFIWIBFSA-N -1 3 236.254 0.655 20 0 BCADHM COC[C@H](C)S(=O)(=O)[N-]Cc1ccno1 ZINC000351928027 134008957 /nfs/dbraw/zinc/00/89/57/134008957.db2.gz SKFLXSPENSFBGN-ZETCQYMHSA-N -1 3 234.277 0.129 20 0 BCADHM CC(C)(C)[C@H](CO)NC(=O)c1csc(=O)[n-]1 ZINC000352065966 134054895 /nfs/dbraw/zinc/05/48/95/134054895.db2.gz RRFVYUPVULNRHX-ZETCQYMHSA-N -1 3 244.316 0.986 20 0 BCADHM O=C1[N-]C(=O)N2CCN(CC3=CCCCC3)C[C@@H]12 ZINC000336196994 134126845 /nfs/dbraw/zinc/12/68/45/134126845.db2.gz RPTWGCKLVFLFSC-NSHDSACASA-N -1 3 249.314 0.723 20 0 BCADHM C[C@@]1(C(=O)Nc2ccccc2[O-])CNC(=O)C1 ZINC000170247021 134252171 /nfs/dbraw/zinc/25/21/71/134252171.db2.gz QTGGDHQDVJRBFC-LBPRGKRZSA-N -1 3 234.255 0.857 20 0 BCADHM Cc1nc(C[N-]S(=O)(=O)CCC(C)C)no1 ZINC000173401607 134274385 /nfs/dbraw/zinc/27/43/85/134274385.db2.gz QKCMXSBADGHAQQ-UHFFFAOYSA-N -1 3 247.320 0.844 20 0 BCADHM C[C@@]1([N-]S(=O)(=O)c2c[nH]cn2)CCCOC1 ZINC000221244138 134322440 /nfs/dbraw/zinc/32/24/40/134322440.db2.gz LNWDXPXYYOKMAY-SECBINFHSA-N -1 3 245.304 0.257 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCCOCC1 ZINC000224063181 134344491 /nfs/dbraw/zinc/34/44/91/134344491.db2.gz CQGVXDQNXDCLLY-UHFFFAOYSA-N -1 3 237.255 0.960 20 0 BCADHM O=S(=O)([N-]CCn1cccc1)c1c[nH]cn1 ZINC000226579180 134367141 /nfs/dbraw/zinc/36/71/41/134367141.db2.gz ZACYCKVSJWYWFK-UHFFFAOYSA-N -1 3 240.288 0.190 20 0 BCADHM CC(C)(CNC(=O)c1cccc([O-])c1)C(N)=O ZINC000227556675 134383158 /nfs/dbraw/zinc/38/31/58/134383158.db2.gz VDCWDQKHFQOBCY-UHFFFAOYSA-N -1 3 236.271 0.634 20 0 BCADHM Cn1cnc(CNC(=O)c2cccc([O-])c2)n1 ZINC000227687727 134384447 /nfs/dbraw/zinc/38/44/47/134384447.db2.gz ALNJZCSTHUJQTB-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM CC[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000050265590 134655121 /nfs/dbraw/zinc/65/51/21/134655121.db2.gz KSFISMUFZUUWBD-UHFFFAOYSA-N -1 3 217.294 0.510 20 0 BCADHM C[C@@H]1CN(CCN(C)CCC(=O)[O-])C[C@H](C)O1 ZINC000262793562 135122651 /nfs/dbraw/zinc/12/26/51/135122651.db2.gz NQYRSUNUNQJOIV-PHIMTYICSA-N -1 3 244.335 0.502 20 0 BCADHM Cc1cccc(NC(=O)c2nnc[n-]2)n1 ZINC000087441222 135141222 /nfs/dbraw/zinc/14/12/22/135141222.db2.gz PNYRRZAQIALIMS-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1cccc(NC(=O)c2nc[n-]n2)n1 ZINC000087441222 135141224 /nfs/dbraw/zinc/14/12/24/135141224.db2.gz PNYRRZAQIALIMS-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM O=C(NC[C@H]1CCCCS1)c1c[n-]nn1 ZINC000087686380 135165436 /nfs/dbraw/zinc/16/54/36/135165436.db2.gz GLLXWMMPVHBXRW-SSDOTTSWSA-N -1 3 226.305 0.820 20 0 BCADHM O=C(NC[C@H]1CCCCS1)c1cnn[n-]1 ZINC000087686380 135165437 /nfs/dbraw/zinc/16/54/37/135165437.db2.gz GLLXWMMPVHBXRW-SSDOTTSWSA-N -1 3 226.305 0.820 20 0 BCADHM O=C(NC[C@H]1CCCCS1)c1cn[n-]n1 ZINC000087686380 135165438 /nfs/dbraw/zinc/16/54/38/135165438.db2.gz GLLXWMMPVHBXRW-SSDOTTSWSA-N -1 3 226.305 0.820 20 0 BCADHM CC(C)[C@H](NC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000261568152 135210463 /nfs/dbraw/zinc/21/04/63/135210463.db2.gz FJRBBAGLBPEUON-JTQLQIEISA-N -1 3 230.308 0.552 20 0 BCADHM CC[C@@H](C(=O)N[C@@H](C)C(=O)[O-])N(CC)CC ZINC000261568882 135211393 /nfs/dbraw/zinc/21/13/93/135211393.db2.gz FXCZCFJKQHMZSX-IUCAKERBSA-N -1 3 230.308 0.696 20 0 BCADHM C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000261587946 135228473 /nfs/dbraw/zinc/22/84/73/135228473.db2.gz RZKYSMUZHJKDOT-YIZRAAEISA-N -1 3 228.292 0.449 20 0 BCADHM CCN(CC(=O)NCC(=O)[O-])CC(C)C ZINC000261591125 135231968 /nfs/dbraw/zinc/23/19/68/135231968.db2.gz VBRBXHVKSWUQSX-UHFFFAOYSA-N -1 3 216.281 0.165 20 0 BCADHM CN(C(=O)c1cccc([O-])c1)[C@H]1COC[C@@H]1O ZINC000342494727 135283331 /nfs/dbraw/zinc/28/33/31/135283331.db2.gz VIRPBMMQHWNNIB-QWRGUYRKSA-N -1 3 237.255 0.224 20 0 BCADHM CC(C)(C)[C@H]1CCCN1CC(=O)NCC(=O)[O-] ZINC000262223848 135285919 /nfs/dbraw/zinc/28/59/19/135285919.db2.gz LVLYAQOWKRIPDH-SECBINFHSA-N -1 3 242.319 0.698 20 0 BCADHM C[C@@H]1[C@@H](C)CCCN1CC(=O)NCC(=O)[O-] ZINC000262208328 135290017 /nfs/dbraw/zinc/29/00/17/135290017.db2.gz JHMNDULQKDQACE-DTWKUNHWSA-N -1 3 228.292 0.308 20 0 BCADHM CC(C)[C@@H]1CCCCN1CC(=O)NCC(=O)[O-] ZINC000262213075 135290694 /nfs/dbraw/zinc/29/06/94/135290694.db2.gz KAXNCZIMONBOQM-JTQLQIEISA-N -1 3 242.319 0.698 20 0 BCADHM C[C@H](C1CC1)N(CC(=O)NCC(=O)[O-])C1CC1 ZINC000262292708 135291311 /nfs/dbraw/zinc/29/13/11/135291311.db2.gz YVDIHJMDSANOKH-MRVPVSSYSA-N -1 3 240.303 0.450 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)NCCCC(=O)[O-] ZINC000262736864 135316408 /nfs/dbraw/zinc/31/64/08/135316408.db2.gz GGJUFNLUGCFMRF-SNVBAGLBSA-N -1 3 242.319 0.842 20 0 BCADHM C[C@H](C(=O)[O-])N(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000262852348 135321814 /nfs/dbraw/zinc/32/18/14/135321814.db2.gz GOFAVOJXZSIDEP-OPRDCNLKSA-N -1 3 242.319 0.791 20 0 BCADHM C[C@@](O)(C(=O)NCc1ncccc1[O-])C1CC1 ZINC000343012373 135344649 /nfs/dbraw/zinc/34/46/49/135344649.db2.gz PKBZCOWGZRPUPZ-LBPRGKRZSA-N -1 3 236.271 0.564 20 0 BCADHM O=C(NCCF)c1cc(F)cc2nn[n-]c21 ZINC000334352965 135369788 /nfs/dbraw/zinc/36/97/88/135369788.db2.gz IENBAWKTTSLZJM-UHFFFAOYSA-N -1 3 226.186 0.796 20 0 BCADHM O=C(NCCF)c1cc(F)cc2[n-]nnc21 ZINC000334352965 135369789 /nfs/dbraw/zinc/36/97/89/135369789.db2.gz IENBAWKTTSLZJM-UHFFFAOYSA-N -1 3 226.186 0.796 20 0 BCADHM O=C(NCCF)c1cc(F)cc2n[n-]nc21 ZINC000334352965 135369790 /nfs/dbraw/zinc/36/97/90/135369790.db2.gz IENBAWKTTSLZJM-UHFFFAOYSA-N -1 3 226.186 0.796 20 0 BCADHM CSCn1cc(Cl)c(=O)[n-]c1=O ZINC000306770200 135377841 /nfs/dbraw/zinc/37/78/41/135377841.db2.gz ALOYANOBLMTAFY-UHFFFAOYSA-N -1 3 206.654 0.923 20 0 BCADHM O=S(=O)(Cc1ccon1)[N-][C@@H]1CCC[C@@H]1F ZINC000334412020 135395876 /nfs/dbraw/zinc/39/58/76/135395876.db2.gz NJDVKVZRBJYYOK-DTWKUNHWSA-N -1 3 248.279 0.985 20 0 BCADHM Cc1ncc(CNC(=O)c2ccon2)c(=O)[n-]1 ZINC000345115408 135881982 /nfs/dbraw/zinc/88/19/82/135881982.db2.gz VABASKHFSUZKER-UHFFFAOYSA-N -1 3 234.215 0.409 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1CC=CCC1 ZINC000347649939 136001260 /nfs/dbraw/zinc/00/12/60/136001260.db2.gz NFJASPRYKLFIML-SNVBAGLBSA-N -1 3 236.319 0.897 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@H]2C=CCCC2)n1 ZINC000335349384 136068078 /nfs/dbraw/zinc/06/80/78/136068078.db2.gz ICABCRYRQDTSJH-VIFPVBQESA-N -1 3 241.316 0.807 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CC2(C)CC2)n1 ZINC000335368586 136082277 /nfs/dbraw/zinc/08/22/77/136082277.db2.gz ULUVXRJIWCBGKT-UHFFFAOYSA-N -1 3 229.305 0.499 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)n1 ZINC000335397125 136093165 /nfs/dbraw/zinc/09/31/65/136093165.db2.gz KHKHDZUHXKPBTR-JGVFFNPUSA-N -1 3 247.295 0.589 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)C(C)(C)F)n1 ZINC000271159215 397964607 /nfs/dbraw/zinc/96/46/07/397964607.db2.gz OOJXCCQNGPPJHQ-UHFFFAOYSA-N -1 3 244.226 0.207 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)C(C)(C)F)[n-]1 ZINC000271159215 397964610 /nfs/dbraw/zinc/96/46/10/397964610.db2.gz OOJXCCQNGPPJHQ-UHFFFAOYSA-N -1 3 244.226 0.207 20 0 BCADHM COC(=O)Cc1nc(NC(=O)C(C)(C)F)n[n-]1 ZINC000271159215 397964613 /nfs/dbraw/zinc/96/46/13/397964613.db2.gz OOJXCCQNGPPJHQ-UHFFFAOYSA-N -1 3 244.226 0.207 20 0 BCADHM CC(C)c1noc([C@@H]2CCS(=O)(=O)[N-]2)n1 ZINC000650217501 397991956 /nfs/dbraw/zinc/99/19/56/397991956.db2.gz JBQIGVOSWFAOFP-LURJTMIESA-N -1 3 231.277 0.557 20 0 BCADHM CCO[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]nn1 ZINC000456957748 397996007 /nfs/dbraw/zinc/99/60/07/397996007.db2.gz HOVLOMDXWIXBQB-PSASIEDQSA-N -1 3 238.291 0.882 20 0 BCADHM CCO[C@@H]1CCCC[C@H]1NC(=O)c1cnn[n-]1 ZINC000456957748 397996010 /nfs/dbraw/zinc/99/60/10/397996010.db2.gz HOVLOMDXWIXBQB-PSASIEDQSA-N -1 3 238.291 0.882 20 0 BCADHM CCO[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC000456957748 397996013 /nfs/dbraw/zinc/99/60/13/397996013.db2.gz HOVLOMDXWIXBQB-PSASIEDQSA-N -1 3 238.291 0.882 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1ccco1)[C@H]1CCOC1 ZINC000275492398 398021617 /nfs/dbraw/zinc/02/16/17/398021617.db2.gz PPWMIEBEOQHUNP-IUCAKERBSA-N -1 3 245.300 0.983 20 0 BCADHM CC(C)n1cnc([N-]C(=O)c2cnccn2)n1 ZINC000650275380 398037289 /nfs/dbraw/zinc/03/72/89/398037289.db2.gz MJDILICHKGHUHH-UHFFFAOYSA-N -1 3 232.247 0.901 20 0 BCADHM CCC[C@H](C)[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC000649691211 398037603 /nfs/dbraw/zinc/03/76/03/398037603.db2.gz QUWDKWSMMTUFNF-JGVFFNPUSA-N -1 3 228.296 0.397 20 0 BCADHM CCS(=O)(=O)[N-]Cc1nc(CC2CC2)no1 ZINC000340186111 398076509 /nfs/dbraw/zinc/07/65/09/398076509.db2.gz QSPGRCRUYBETAU-UHFFFAOYSA-N -1 3 245.304 0.461 20 0 BCADHM CCC(C)(C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000647738161 398098225 /nfs/dbraw/zinc/09/82/25/398098225.db2.gz BFOMFNWPJBZQKD-UHFFFAOYSA-N -1 3 222.252 0.827 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCCn2cncn2)c1 ZINC000263818466 398126159 /nfs/dbraw/zinc/12/61/59/398126159.db2.gz TUWONAUEHDBKDP-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM Cc1nc([C@H](C)NC(=O)c2ncccc2[O-])n[nH]1 ZINC000286314850 398132307 /nfs/dbraw/zinc/13/23/07/398132307.db2.gz JGSNJPWXBXWMMH-LURJTMIESA-N -1 3 247.258 0.705 20 0 BCADHM Cc1nc([C@@H](C)NC(=O)c2ncccc2[O-])n[nH]1 ZINC000286314852 398132723 /nfs/dbraw/zinc/13/27/23/398132723.db2.gz JGSNJPWXBXWMMH-ZCFIWIBFSA-N -1 3 247.258 0.705 20 0 BCADHM CC(C)NC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000038027552 167050297 /nfs/dbraw/zinc/05/02/97/167050297.db2.gz BSIRYRZAOOAEIY-SNVBAGLBSA-N -1 3 242.319 0.840 20 0 BCADHM Cc1nnc([N-]C(=O)c2cocn2)n1C ZINC000680274665 487557369 /nfs/dbraw/zinc/55/73/69/487557369.db2.gz VRZGZYFUNYBNAZ-UHFFFAOYSA-N -1 3 207.193 0.364 20 0 BCADHM Cc1cc(CNC(=O)Cc2cncc([O-])c2)[nH]n1 ZINC000655391575 410194980 /nfs/dbraw/zinc/19/49/80/410194980.db2.gz XEFCUKRWQMLCJR-UHFFFAOYSA-N -1 3 246.270 0.678 20 0 BCADHM Cc1cc(CNC(=O)Cc2cncc([O-])c2)n[nH]1 ZINC000655391575 410194985 /nfs/dbraw/zinc/19/49/85/410194985.db2.gz XEFCUKRWQMLCJR-UHFFFAOYSA-N -1 3 246.270 0.678 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC(CF)CF ZINC000655404405 410208936 /nfs/dbraw/zinc/20/89/36/410208936.db2.gz XLHWRACOUJXHJN-UHFFFAOYSA-N -1 3 230.214 0.754 20 0 BCADHM C[N-]S(=O)(=O)c1cccc(OC)c1F ZINC000655462235 410602691 /nfs/dbraw/zinc/60/26/91/410602691.db2.gz LWJMATNCNKZHJL-UHFFFAOYSA-N -1 3 219.237 0.742 20 0 BCADHM CN(C)CCn1[n-]c2c(c1=O)CCCC2 ZINC000107628413 411137822 /nfs/dbraw/zinc/13/78/22/411137822.db2.gz ZPKUIOAMTWCOKN-SECBINFHSA-N -1 3 209.293 0.936 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1CC12CC2 ZINC000594019170 411144502 /nfs/dbraw/zinc/14/45/02/411144502.db2.gz CKFUGCBBYHIMIJ-LURJTMIESA-N -1 3 235.243 0.935 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1CC12CC2 ZINC000594019170 411144503 /nfs/dbraw/zinc/14/45/03/411144503.db2.gz CKFUGCBBYHIMIJ-LURJTMIESA-N -1 3 235.243 0.935 20 0 BCADHM COCCc1nc(=NC[C@@H](C)N(C)C)s[n-]1 ZINC000336775256 411182703 /nfs/dbraw/zinc/18/27/03/411182703.db2.gz YMGDXOYATSRYHE-MRVPVSSYSA-N -1 3 244.364 0.511 20 0 BCADHM COCCN(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000048747139 411212954 /nfs/dbraw/zinc/21/29/54/411212954.db2.gz SNMKGEIYOXLZGW-UHFFFAOYSA-N -1 3 234.259 0.676 20 0 BCADHM CCN1CCCC[C@@H]1C(=O)NC[C@H](C)C(=O)[O-] ZINC000656231802 411215804 /nfs/dbraw/zinc/21/58/04/411215804.db2.gz OYDSPMKUTMXDDO-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM CC(F)(F)C(=O)[N-][C@H](C(N)=O)c1ccccc1 ZINC000293097818 167811619 /nfs/dbraw/zinc/81/16/19/167811619.db2.gz PDXYSUJNWGMYTM-QMMMGPOBSA-N -1 3 242.225 0.984 20 0 BCADHM CC(C)[C@H]1C(=O)NCCN1CC1(C(=O)[O-])CC1 ZINC000652409570 411232899 /nfs/dbraw/zinc/23/28/99/411232899.db2.gz NETCGIMAXFSFJH-VIFPVBQESA-N -1 3 240.303 0.308 20 0 BCADHM O=C(N[C@@]12C[C@@H]1CCCC2)c1c[n-]nn1 ZINC000634079609 411294995 /nfs/dbraw/zinc/29/49/95/411294995.db2.gz HIVTZZGUUUYENY-XVKPBYJWSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(N[C@@]12C[C@@H]1CCCC2)c1cnn[n-]1 ZINC000634079609 411295001 /nfs/dbraw/zinc/29/50/01/411295001.db2.gz HIVTZZGUUUYENY-XVKPBYJWSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(N[C@@]12C[C@@H]1CCCC2)c1cn[n-]n1 ZINC000634079609 411295003 /nfs/dbraw/zinc/29/50/03/411295003.db2.gz HIVTZZGUUUYENY-XVKPBYJWSA-N -1 3 206.249 0.867 20 0 BCADHM CCN(CC)C(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000062936194 411324642 /nfs/dbraw/zinc/32/46/42/411324642.db2.gz VTTGRZCUWVIDLC-GFCCVEGCSA-N -1 3 242.319 0.651 20 0 BCADHM CCCCN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652508016 411259012 /nfs/dbraw/zinc/25/90/12/411259012.db2.gz UJYXKYMQTGWBLY-RKDXNWHRSA-N -1 3 201.266 0.960 20 0 BCADHM O=C([O-])C12CC(C1)CN2CCO[C@H]1CC1(F)F ZINC000656761056 411344997 /nfs/dbraw/zinc/34/49/97/411344997.db2.gz LEPZVPHGHBYVRE-ZCUBBSJVSA-N -1 3 247.241 0.960 20 0 BCADHM CCn1nncc1CN1CC2CC1(C(=O)[O-])C2 ZINC000656761645 411347328 /nfs/dbraw/zinc/34/73/28/411347328.db2.gz SYFRVZFPYUAGIP-UHFFFAOYSA-N -1 3 236.275 0.347 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)CN(C)C(C)C ZINC000653342582 411377108 /nfs/dbraw/zinc/37/71/08/411377108.db2.gz AXUSFXWJEPOXPH-SECBINFHSA-N -1 3 230.308 0.648 20 0 BCADHM COc1nnc(NC(=O)c2ccc(OC)cn2)[n-]1 ZINC000486951898 411382817 /nfs/dbraw/zinc/38/28/17/411382817.db2.gz VXSGWTOBHHSUGQ-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1nc(NC(=O)c2ccc(OC)cn2)n[n-]1 ZINC000486951898 411382819 /nfs/dbraw/zinc/38/28/19/411382819.db2.gz VXSGWTOBHHSUGQ-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccc(OC)cn2)n1 ZINC000486951898 411382822 /nfs/dbraw/zinc/38/28/22/411382822.db2.gz VXSGWTOBHHSUGQ-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM O=S(=O)([N-][C@H](CO)C1CCC1)c1ccco1 ZINC000657053183 411397596 /nfs/dbraw/zinc/39/75/96/411397596.db2.gz FPIJJRLLEWWICI-SECBINFHSA-N -1 3 245.300 0.719 20 0 BCADHM O=c1[nH][n-]c2c1CCN(Cc1ccccc1)C2 ZINC000118591627 411398066 /nfs/dbraw/zinc/39/80/66/411398066.db2.gz ADAIEKAITRRAEN-LLVKDONJSA-N -1 3 229.283 0.994 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-]C/C=C/CO)s1 ZINC000657085721 411404400 /nfs/dbraw/zinc/40/44/00/411404400.db2.gz WEHOEMVSQFOGPH-NSCUHMNNSA-N -1 3 248.329 0.278 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1ccco1)C1(CO)CC1 ZINC000657103573 411407061 /nfs/dbraw/zinc/40/70/61/411407061.db2.gz UITOJJMNFLMJTD-QMMMGPOBSA-N -1 3 245.300 0.719 20 0 BCADHM CC[C@H]1CC[C@@H](C(=O)Nc2nnc(OC)[n-]2)O1 ZINC000272457677 411433076 /nfs/dbraw/zinc/43/30/76/411433076.db2.gz KECBFKXVDZMEDD-BQBZGAKWSA-N -1 3 240.263 0.709 20 0 BCADHM CC[C@H]1CC[C@@H](C(=O)Nc2n[n-]c(OC)n2)O1 ZINC000272457677 411433081 /nfs/dbraw/zinc/43/30/81/411433081.db2.gz KECBFKXVDZMEDD-BQBZGAKWSA-N -1 3 240.263 0.709 20 0 BCADHM CC[C@H]1CC[C@@H](C(=O)Nc2nc(OC)n[n-]2)O1 ZINC000272457677 411433086 /nfs/dbraw/zinc/43/30/86/411433086.db2.gz KECBFKXVDZMEDD-BQBZGAKWSA-N -1 3 240.263 0.709 20 0 BCADHM CO[C@](C)(CO)CNCc1nc(C)ccc1[O-] ZINC000655808756 411522275 /nfs/dbraw/zinc/52/22/75/411522275.db2.gz IDJBEGQWLSCWLS-LBPRGKRZSA-N -1 3 240.303 0.583 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CC2=CCCC2)c1 ZINC000660038638 411530293 /nfs/dbraw/zinc/53/02/93/411530293.db2.gz YPCJUAHCTXONRR-UHFFFAOYSA-N -1 3 241.316 0.809 20 0 BCADHM C[C@@H](O)C1([N-]S(=O)(=O)c2cccs2)CC1 ZINC000660047772 411530937 /nfs/dbraw/zinc/53/09/37/411530937.db2.gz GHUOAQUTLDFESY-SSDOTTSWSA-N -1 3 247.341 0.940 20 0 BCADHM CCNC(=O)CC(=O)Nc1cc(F)ccc1[O-] ZINC000357406434 170048392 /nfs/dbraw/zinc/04/83/92/170048392.db2.gz OMXSLSDODLHYAC-UHFFFAOYSA-N -1 3 240.234 0.996 20 0 BCADHM CCNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000070193381 170054049 /nfs/dbraw/zinc/05/40/49/170054049.db2.gz GSYXFTOOHCUFRF-UHFFFAOYSA-N -1 3 223.276 0.455 20 0 BCADHM CCNC(=O)[C@H](C)[N-]C(=O)C(C)(F)F ZINC000288476424 170092765 /nfs/dbraw/zinc/09/27/65/170092765.db2.gz GELBERZOQMVACK-YFKPBYRVSA-N -1 3 208.208 0.282 20 0 BCADHM CC[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000095091604 170136863 /nfs/dbraw/zinc/13/68/63/170136863.db2.gz IVDQARSLOSSFNA-UHFFFAOYSA-N -1 3 201.251 0.083 20 0 BCADHM CC(C)=CCCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000660146539 411545825 /nfs/dbraw/zinc/54/58/25/411545825.db2.gz HENFZHNQFHIMQX-JTQLQIEISA-N -1 3 237.303 0.579 20 0 BCADHM CCOC(=O)CNC(=O)c1ccc([O-])c(C)c1 ZINC000226716892 170224612 /nfs/dbraw/zinc/22/46/12/170224612.db2.gz GMZGRJQITQNUIT-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM CCOC(=O)[N-]C(=S)Nc1cncnc1 ZINC000089224280 170240504 /nfs/dbraw/zinc/24/05/04/170240504.db2.gz KQHDELWMLVAWGN-UHFFFAOYSA-N -1 3 226.261 0.920 20 0 BCADHM CCOC(=O)c1[n-]c(C)nc1NC(C)=O ZINC000173077147 170286843 /nfs/dbraw/zinc/28/68/43/170286843.db2.gz GUEMTCPKPRZMMQ-UHFFFAOYSA-N -1 3 211.221 0.853 20 0 BCADHM CCOC(=O)c1nc(C)[n-]c1NC(C)=O ZINC000173077147 170286845 /nfs/dbraw/zinc/28/68/45/170286845.db2.gz GUEMTCPKPRZMMQ-UHFFFAOYSA-N -1 3 211.221 0.853 20 0 BCADHM CCOC1CC(CCNC(=O)c2c[n-]nn2)C1 ZINC000190723228 170323669 /nfs/dbraw/zinc/32/36/69/170323669.db2.gz VGTAQJJFRHEKQX-UHFFFAOYSA-N -1 3 238.291 0.740 20 0 BCADHM CCOC1CC(CCNC(=O)c2cnn[n-]2)C1 ZINC000190723228 170323670 /nfs/dbraw/zinc/32/36/70/170323670.db2.gz VGTAQJJFRHEKQX-UHFFFAOYSA-N -1 3 238.291 0.740 20 0 BCADHM CCOC1CC(CCNC(=O)c2cn[n-]n2)C1 ZINC000190723228 170323671 /nfs/dbraw/zinc/32/36/71/170323671.db2.gz VGTAQJJFRHEKQX-UHFFFAOYSA-N -1 3 238.291 0.740 20 0 BCADHM CCOCC(=O)Nc1nnc(SC)[n-]1 ZINC000354760950 170350652 /nfs/dbraw/zinc/35/06/52/170350652.db2.gz KALSENBVQNQSKQ-UHFFFAOYSA-N -1 3 216.266 0.502 20 0 BCADHM CCOCC(=O)Nc1nc(SC)n[n-]1 ZINC000354760950 170350655 /nfs/dbraw/zinc/35/06/55/170350655.db2.gz KALSENBVQNQSKQ-UHFFFAOYSA-N -1 3 216.266 0.502 20 0 BCADHM CCOCC(=O)Nc1n[n-]c(SC)n1 ZINC000354760950 170350657 /nfs/dbraw/zinc/35/06/57/170350657.db2.gz KALSENBVQNQSKQ-UHFFFAOYSA-N -1 3 216.266 0.502 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC000370445317 170420798 /nfs/dbraw/zinc/42/07/98/170420798.db2.gz SYGXRVVCNQOMKP-KOLCDFICSA-N -1 3 229.276 0.497 20 0 BCADHM Cc1cc([N-]C(=O)c2coc(C(N)=O)c2)no1 ZINC000352732358 411640718 /nfs/dbraw/zinc/64/07/18/411640718.db2.gz FMPTVYWATCBPLT-UHFFFAOYSA-N -1 3 235.199 0.927 20 0 BCADHM COC[C@@](C)(O)C[N-]c1nnc(C(F)F)o1 ZINC000390765719 411645481 /nfs/dbraw/zinc/64/54/81/411645481.db2.gz QIICMBXSBHFZAI-QMMMGPOBSA-N -1 3 237.206 0.817 20 0 BCADHM O=c1[n-]c(C2CCN(Cc3cn[nH]c3)CC2)n[nH]1 ZINC000660450729 411586783 /nfs/dbraw/zinc/58/67/83/411586783.db2.gz VGVZSRGINBIHLT-UHFFFAOYSA-N -1 3 248.290 0.613 20 0 BCADHM COc1ccc(C(=O)[N-]c2nncs2)nc1 ZINC000359875668 411715177 /nfs/dbraw/zinc/71/51/77/411715177.db2.gz KSRYCRJSGLVKFZ-UHFFFAOYSA-N -1 3 236.256 1.194 20 0 BCADHM C[C@H](O)CCCN(C)Cc1n[n-]c(=O)o1 ZINC000660841605 411652680 /nfs/dbraw/zinc/65/26/80/411652680.db2.gz GGYMLOVHMZKITO-ZETCQYMHSA-N -1 3 215.253 0.368 20 0 BCADHM C[C@@H](O)CCCN(C)Cc1n[n-]c(=O)o1 ZINC000660841602 411653134 /nfs/dbraw/zinc/65/31/34/411653134.db2.gz GGYMLOVHMZKITO-SSDOTTSWSA-N -1 3 215.253 0.368 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)C[C@H]1CCCOC1 ZINC000660848520 411657629 /nfs/dbraw/zinc/65/76/29/411657629.db2.gz ODIMPCVHBMZTLK-MRVPVSSYSA-N -1 3 227.264 0.634 20 0 BCADHM COCc1cc(NCc2ncccc2[O-])ncn1 ZINC000579543170 411658678 /nfs/dbraw/zinc/65/86/78/411658678.db2.gz XVVFQPJLHPOHNL-UHFFFAOYSA-N -1 3 246.270 1.336 20 0 BCADHM O=c1[nH][n-]cc1CCCNc1ncccn1 ZINC000631362232 411675206 /nfs/dbraw/zinc/67/52/06/411675206.db2.gz QXHMXLSZAUBEKR-MRVPVSSYSA-N -1 3 219.248 0.401 20 0 BCADHM Cc1cncnc1NCCCc1c[n-][nH]c1=O ZINC000641658766 411741959 /nfs/dbraw/zinc/74/19/59/411741959.db2.gz IVBQDIPYEFAYEG-VIFPVBQESA-N -1 3 233.275 0.709 20 0 BCADHM COc1cncc(C(=O)[N-]c2cc(C)on2)n1 ZINC000358541359 411766037 /nfs/dbraw/zinc/76/60/37/411766037.db2.gz DZBGBHXKDLXORJ-UHFFFAOYSA-N -1 3 234.215 1.034 20 0 BCADHM COc1csc(C(=O)[N-]c2ncn(C)n2)c1 ZINC000356426227 411771653 /nfs/dbraw/zinc/77/16/53/411771653.db2.gz QIUYJKCZEGKAFB-UHFFFAOYSA-N -1 3 238.272 1.138 20 0 BCADHM CCc1nc([N-]C(=O)c2cccnn2)nn1C ZINC000529512782 411787347 /nfs/dbraw/zinc/78/73/47/411787347.db2.gz OHKFXKSVUNGFME-UHFFFAOYSA-N -1 3 232.247 0.420 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000329130558 411814914 /nfs/dbraw/zinc/81/49/14/411814914.db2.gz XBMQZJFAZPHTQR-UHFFFAOYSA-N -1 3 247.258 1.416 20 0 BCADHM C[C@@H]([N-]c1nnc(C2CC2)o1)c1ncnn1C ZINC000343227093 411831896 /nfs/dbraw/zinc/83/18/96/411831896.db2.gz NDGLLFLZNRPVPR-ZCFIWIBFSA-N -1 3 234.263 1.249 20 0 BCADHM Cn1[n-]c(CN2CCC[C@H](CCF)C2)nc1=O ZINC000661690256 411840056 /nfs/dbraw/zinc/84/00/56/411840056.db2.gz KUEVTMPQKRVTNJ-SECBINFHSA-N -1 3 242.298 0.680 20 0 BCADHM O=c1cc(Cn2cc(CO)nn2)nc(C2CC2)[n-]1 ZINC000664087266 411849099 /nfs/dbraw/zinc/84/90/99/411849099.db2.gz UWCWYDIZUVFJLH-UHFFFAOYSA-N -1 3 247.258 0.192 20 0 BCADHM CC[C@H](C)[C@@H](C)N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354596452 411886831 /nfs/dbraw/zinc/88/68/31/411886831.db2.gz OJGCQOYZRYDYFY-NKWVEPMBSA-N -1 3 234.307 1.155 20 0 BCADHM CC[C@@H](C)[C@H](OC)C(=O)[N-]c1nncn1C ZINC000356778868 170800417 /nfs/dbraw/zinc/80/04/17/170800417.db2.gz ZGUCNHFXVZMKQX-SFYZADRCSA-N -1 3 226.280 0.815 20 0 BCADHM C[C@@H]1C[C@@H](N=c2nc3[nH][n-]cc-3c(N)n2)CCO1 ZINC000354578658 411913069 /nfs/dbraw/zinc/91/30/69/411913069.db2.gz ZHNREGNOOTZTRQ-RQJHMYQMSA-N -1 3 248.290 0.288 20 0 BCADHM Nc1nc(=NC[C@@H]2CC23CC3)nc2[nH][n-]cc1-2 ZINC000572227918 411925785 /nfs/dbraw/zinc/92/57/85/411925785.db2.gz MUPRUANRMQEXKV-LURJTMIESA-N -1 3 230.275 0.521 20 0 BCADHM O=c1cc(CN2CC[C@H]3C[C@H]3C2)nc2cc[n-]n21 ZINC000661971385 411926807 /nfs/dbraw/zinc/92/68/07/411926807.db2.gz NRWRRHVHSZANSY-UWVGGRQHSA-N -1 3 244.298 0.864 20 0 BCADHM C[C@H]1CCC[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000336942557 411927961 /nfs/dbraw/zinc/92/79/61/411927961.db2.gz IZXXVWYQFQAECZ-XPUUQOCRSA-N -1 3 232.291 0.909 20 0 BCADHM Cc1ccoc1CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000488679328 411933975 /nfs/dbraw/zinc/93/39/75/411933975.db2.gz VEVTVKIXLGXSFZ-UHFFFAOYSA-N -1 3 244.258 0.822 20 0 BCADHM CC(C)C[C@@H](C)N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354598786 411872512 /nfs/dbraw/zinc/87/25/12/411872512.db2.gz IPWQDSAYIKGODK-SSDOTTSWSA-N -1 3 234.307 1.155 20 0 BCADHM Cc1ccc(C(=O)NCc2nnc(N)o2)c([O-])c1 ZINC000436595039 411971384 /nfs/dbraw/zinc/97/13/84/411971384.db2.gz KBDBUMOJHDGFLX-UHFFFAOYSA-N -1 3 248.242 0.596 20 0 BCADHM CC[C@@H](NC(=O)c1ccccc1[O-])C(N)=O ZINC000291835157 170885310 /nfs/dbraw/zinc/88/53/10/170885310.db2.gz ZZAWKACDLCPDIR-MRVPVSSYSA-N -1 3 222.244 0.386 20 0 BCADHM C[C@H]1C[C@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000662169546 412018136 /nfs/dbraw/zinc/01/81/36/412018136.db2.gz ZXVCUVAOENCBPJ-CAHLUQPWSA-N -1 3 249.274 0.291 20 0 BCADHM C[C@H]1C[C@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000662169546 412018140 /nfs/dbraw/zinc/01/81/40/412018140.db2.gz ZXVCUVAOENCBPJ-CAHLUQPWSA-N -1 3 249.274 0.291 20 0 BCADHM C[C@H]1C[C@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000662169546 412018142 /nfs/dbraw/zinc/01/81/42/412018142.db2.gz ZXVCUVAOENCBPJ-CAHLUQPWSA-N -1 3 249.274 0.291 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662203435 412024123 /nfs/dbraw/zinc/02/41/23/412024123.db2.gz DQRNZIFQPMNLBS-OPRDCNLKSA-N -1 3 240.303 0.545 20 0 BCADHM CC[C@@H](C)N(CC)CC(=O)NCC(=O)[O-] ZINC000662212214 412025641 /nfs/dbraw/zinc/02/56/41/412025641.db2.gz LFQULJRSIDOBMV-MRVPVSSYSA-N -1 3 216.281 0.308 20 0 BCADHM CC[C@@H]1CCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354577619 171016029 /nfs/dbraw/zinc/01/60/29/171016029.db2.gz XJQLVVGAKZEFFE-SSDOTTSWSA-N -1 3 232.291 0.953 20 0 BCADHM CC[C@@H]1CC[C@@H](C(=O)[N-]c2nncn2C)O1 ZINC000275209180 171032940 /nfs/dbraw/zinc/03/29/40/171032940.db2.gz OOVVLQFRKKDJKP-SFYZADRCSA-N -1 3 224.264 0.711 20 0 BCADHM CC[C@@H]1CO[C@H](C)CN1CCC(=O)[O-] ZINC000044383280 171112552 /nfs/dbraw/zinc/11/25/52/171112552.db2.gz AVQDNGODWRSTRQ-RKDXNWHRSA-N -1 3 201.266 0.960 20 0 BCADHM CC[C@H](C(=O)Nc1ncccc1[O-])C(=O)OC ZINC000359899846 171234669 /nfs/dbraw/zinc/23/46/69/171234669.db2.gz MLWAZQIPBVELPH-SSDOTTSWSA-N -1 3 238.243 0.925 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCN(CC2CC2)CC1 ZINC000042490641 171237470 /nfs/dbraw/zinc/23/74/70/171237470.db2.gz ADALLWLROSRXFZ-LLVKDONJSA-N -1 3 226.320 0.877 20 0 BCADHM CC[C@H](C)N(C)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000336614726 171304553 /nfs/dbraw/zinc/30/45/53/171304553.db2.gz VBWJVUSWNRDIOE-ZETCQYMHSA-N -1 3 239.275 0.356 20 0 BCADHM CC[C@H](C)[C@H](N)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062915589 171394375 /nfs/dbraw/zinc/39/43/75/171394375.db2.gz CQUAXGMVDOUMGI-HOTUBEGUSA-N -1 3 242.319 0.683 20 0 BCADHM Cn1nccc1C[N-]c1nnc(C(F)F)o1 ZINC000336663539 412196812 /nfs/dbraw/zinc/19/68/12/412196812.db2.gz DCCLYDBFKOYQGQ-UHFFFAOYSA-N -1 3 229.190 1.353 20 0 BCADHM CN(C)C1(CNc2ncncc2C(=O)[O-])CC1 ZINC000397953120 412153198 /nfs/dbraw/zinc/15/31/98/412153198.db2.gz YAJBLVVDPBOCIE-UHFFFAOYSA-N -1 3 236.275 0.681 20 0 BCADHM Cn1cnc(NCc2c(F)ccc([O-])c2F)n1 ZINC000431031899 412158730 /nfs/dbraw/zinc/15/87/30/412158730.db2.gz FJTBUZXVPKLRJY-UHFFFAOYSA-N -1 3 240.213 1.411 20 0 BCADHM Cn1cnnc1[N-]C(=O)c1onc2c1CCCC2 ZINC000613537516 412161643 /nfs/dbraw/zinc/16/16/43/412161643.db2.gz GZGZYZWQPIOROO-UHFFFAOYSA-N -1 3 247.258 0.934 20 0 BCADHM Cc1cc(C(=O)[N-]c2nncs2)nc(C)n1 ZINC000347502348 412305160 /nfs/dbraw/zinc/30/51/60/412305160.db2.gz FDRVZNOZZGJTGE-UHFFFAOYSA-N -1 3 235.272 1.197 20 0 BCADHM COC(=O)c1oc(C[N-]c2nnco2)cc1C ZINC000596025729 412352876 /nfs/dbraw/zinc/35/28/76/412352876.db2.gz YOCHUGMEGBATAJ-UHFFFAOYSA-N -1 3 237.215 1.370 20 0 BCADHM O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1cnn[n-]1 ZINC000526960669 412354660 /nfs/dbraw/zinc/35/46/60/412354660.db2.gz HNNCTWMKZLTOEB-QMMMGPOBSA-N -1 3 248.246 0.632 20 0 BCADHM O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1c[n-]nn1 ZINC000526960669 412354662 /nfs/dbraw/zinc/35/46/62/412354662.db2.gz HNNCTWMKZLTOEB-QMMMGPOBSA-N -1 3 248.246 0.632 20 0 BCADHM O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1cn[n-]n1 ZINC000526960669 412354665 /nfs/dbraw/zinc/35/46/65/412354665.db2.gz HNNCTWMKZLTOEB-QMMMGPOBSA-N -1 3 248.246 0.632 20 0 BCADHM O=C(Nc1cc[nH]n1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000646753455 412358957 /nfs/dbraw/zinc/35/89/57/412358957.db2.gz ZITDAZXMTSZSEZ-UHFFFAOYSA-N -1 3 245.242 1.035 20 0 BCADHM CCC[C@@H](O)[C@H](CO)[N-]c1nnc(C(C)C)o1 ZINC000413497402 412364599 /nfs/dbraw/zinc/36/45/99/412364599.db2.gz FZKAAAVOEGPZAL-DTWKUNHWSA-N -1 3 243.307 1.127 20 0 BCADHM CCC[C@H](O)[C@H](CO)[N-]c1nnc(C(C)C)o1 ZINC000413497403 412365680 /nfs/dbraw/zinc/36/56/80/412365680.db2.gz FZKAAAVOEGPZAL-IUCAKERBSA-N -1 3 243.307 1.127 20 0 BCADHM CCc1cnc(S(=O)(=O)C[C@@H](O)CC)[n-]1 ZINC000295899121 171745185 /nfs/dbraw/zinc/74/51/85/171745185.db2.gz LIBQDFLDEGHMDD-QMMMGPOBSA-N -1 3 232.305 0.517 20 0 BCADHM CCc1c[n-]c(S(=O)(=O)C[C@@H](O)CC)n1 ZINC000295899121 171745186 /nfs/dbraw/zinc/74/51/86/171745186.db2.gz LIBQDFLDEGHMDD-QMMMGPOBSA-N -1 3 232.305 0.517 20 0 BCADHM CCc1cc(C(=O)NCC(=O)OC)ccc1[O-] ZINC000291513644 171751883 /nfs/dbraw/zinc/75/18/83/171751883.db2.gz XUXYCKIEZZASFT-UHFFFAOYSA-N -1 3 237.255 0.857 20 0 BCADHM COCC[C@@H](CO)[N-]c1nnc(C(F)F)o1 ZINC000336667992 412374547 /nfs/dbraw/zinc/37/45/47/412374547.db2.gz GDEVEYYSFORDEV-YFKPBYRVSA-N -1 3 237.206 0.817 20 0 BCADHM CCc1nnc(CNC(=O)c2c[n-]nn2)s1 ZINC000359711818 172052285 /nfs/dbraw/zinc/05/22/85/172052285.db2.gz HGZANXWULHIXMN-UHFFFAOYSA-N -1 3 238.276 0.149 20 0 BCADHM CCc1nnc(CNC(=O)c2cnn[n-]2)s1 ZINC000359711818 172052286 /nfs/dbraw/zinc/05/22/86/172052286.db2.gz HGZANXWULHIXMN-UHFFFAOYSA-N -1 3 238.276 0.149 20 0 BCADHM CCc1nnc(CNC(=O)c2cn[n-]n2)s1 ZINC000359711818 172052289 /nfs/dbraw/zinc/05/22/89/172052289.db2.gz HGZANXWULHIXMN-UHFFFAOYSA-N -1 3 238.276 0.149 20 0 BCADHM CCc1noc([N-]Cc2cncn2C)n1 ZINC000292884941 172089016 /nfs/dbraw/zinc/08/90/16/172089016.db2.gz ZGYYGPJCIYEXTI-UHFFFAOYSA-N -1 3 207.237 0.978 20 0 BCADHM CCc1noc([C@H](C)[N-]S(C)(=O)=O)n1 ZINC000340196967 172092296 /nfs/dbraw/zinc/09/22/96/172092296.db2.gz XXEKXXINLDROKV-YFKPBYRVSA-N -1 3 219.266 0.242 20 0 BCADHM CCn1c(=O)[n-]nc1S[C@@H]1CCOC1 ZINC000328804521 172146779 /nfs/dbraw/zinc/14/67/79/172146779.db2.gz CTKQVIDKPHHOPW-ZCFIWIBFSA-N -1 3 215.278 0.885 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]CCOC)nc1C ZINC000053293850 172191649 /nfs/dbraw/zinc/19/16/49/172191649.db2.gz FHPFHSOTHRQUOI-UHFFFAOYSA-N -1 3 247.320 0.136 20 0 BCADHM CCn1nc(C)c([N-]S(=O)(=O)N(C)C)c1C ZINC000172905333 172249015 /nfs/dbraw/zinc/24/90/15/172249015.db2.gz VXILVWNXXLOLET-UHFFFAOYSA-N -1 3 246.336 0.738 20 0 BCADHM CN(C(=O)CCC(=O)[O-])[C@H]1CCCN(C)C1 ZINC000053244683 173044838 /nfs/dbraw/zinc/04/48/38/173044838.db2.gz XTFLREPJYKBOFF-VIFPVBQESA-N -1 3 228.292 0.404 20 0 BCADHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCN(C)C1=O ZINC000336625369 173118067 /nfs/dbraw/zinc/11/80/67/173118067.db2.gz SOURAYHLADXMSB-SNVBAGLBSA-N -1 3 248.282 0.695 20 0 BCADHM CN1CC[C@H]([N-]C(=O)C(C)(Cl)Cl)C1=O ZINC000130532491 173151007 /nfs/dbraw/zinc/15/10/07/173151007.db2.gz PNJHESYLSZMHIB-YFKPBYRVSA-N -1 3 239.102 0.527 20 0 BCADHM CN1C[C@@H](NC(=O)c2ccccc2[O-])CCC1=O ZINC000078835082 173184740 /nfs/dbraw/zinc/18/47/40/173184740.db2.gz YVJDQXHXBMRUQN-VIFPVBQESA-N -1 3 248.282 0.743 20 0 BCADHM CNC(=O)C1(C(=O)Nc2ncccc2[O-])CC1 ZINC000181003822 173222323 /nfs/dbraw/zinc/22/23/23/173222323.db2.gz HPXXSJDCROHCDR-UHFFFAOYSA-N -1 3 235.243 0.252 20 0 BCADHM CNC(=O)[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000042350869 173294630 /nfs/dbraw/zinc/29/46/30/173294630.db2.gz UVCXLDJDUUQHQQ-MRVPVSSYSA-N -1 3 236.271 0.565 20 0 BCADHM CNC(=O)[C@H](C)[N-]C(=O)C(C)(Cl)Cl ZINC000293618044 173301792 /nfs/dbraw/zinc/30/17/92/173301792.db2.gz IDLIIOPJWZIEOO-BYPYZUCNSA-N -1 3 227.091 0.431 20 0 BCADHM CNC(=O)[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000042350834 173302168 /nfs/dbraw/zinc/30/21/68/173302168.db2.gz BVOYODRUKYOWEJ-QMMMGPOBSA-N -1 3 236.271 0.565 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCN([C@@H]2CCOC2)CC1 ZINC000662226951 487627859 /nfs/dbraw/zinc/62/78/59/487627859.db2.gz MPNIMDWUPHSGNJ-GHMZBOCLSA-N -1 3 242.319 0.256 20 0 BCADHM COC1(C)CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000331977323 173978614 /nfs/dbraw/zinc/97/86/14/173978614.db2.gz NRVDCBDIAIOOFT-UHFFFAOYSA-N -1 3 237.255 0.959 20 0 BCADHM COC1CN(S(=O)(=O)c2ccc([O-])cc2)C1 ZINC000309242710 174036186 /nfs/dbraw/zinc/03/61/86/174036186.db2.gz XHIKVNLBVNBDCP-UHFFFAOYSA-N -1 3 243.284 0.412 20 0 BCADHM COCC1(C(=O)NCc2ncccc2[O-])CC1 ZINC000352509996 174088066 /nfs/dbraw/zinc/08/80/66/174088066.db2.gz RFIUGYGTSGJYHT-UHFFFAOYSA-N -1 3 236.271 0.830 20 0 BCADHM COCCCCC(=O)Nc1nnc(OC)[n-]1 ZINC000179370625 174174896 /nfs/dbraw/zinc/17/48/96/174174896.db2.gz QATQPVSUYWLPIN-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM COCCCCC(=O)Nc1n[n-]c(OC)n1 ZINC000179370625 174174899 /nfs/dbraw/zinc/17/48/99/174174899.db2.gz QATQPVSUYWLPIN-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM COCCCCC(=O)Nc1nc(OC)n[n-]1 ZINC000179370625 174174902 /nfs/dbraw/zinc/17/49/02/174174902.db2.gz QATQPVSUYWLPIN-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM COCCCO[N-]C(=O)CCc1ccncn1 ZINC000287908729 174254686 /nfs/dbraw/zinc/25/46/86/174254686.db2.gz SRVXAPRIPNKPDV-UHFFFAOYSA-N -1 3 239.275 0.494 20 0 BCADHM COCCCON=C([O-])Nc1ccn(C)n1 ZINC000286838161 174255445 /nfs/dbraw/zinc/25/54/45/174255445.db2.gz ABNPFVIBSHNHGI-UHFFFAOYSA-N -1 3 228.252 0.510 20 0 BCADHM COCCCO[N-]C(=O)Nc1ccn(C)n1 ZINC000286838161 174255447 /nfs/dbraw/zinc/25/54/47/174255447.db2.gz ABNPFVIBSHNHGI-UHFFFAOYSA-N -1 3 228.252 0.510 20 0 BCADHM COCC[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000330665791 174337195 /nfs/dbraw/zinc/33/71/95/174337195.db2.gz AGDYAQGNDVHBDA-UHFFFAOYSA-N -1 3 234.277 0.049 20 0 BCADHM COCCOCC(=O)Nc1nnc(SC)[n-]1 ZINC000264999464 174348023 /nfs/dbraw/zinc/34/80/23/174348023.db2.gz KYXXFLUYOVTALQ-UHFFFAOYSA-N -1 3 246.292 0.128 20 0 BCADHM COCCOCC(=O)Nc1nc(SC)n[n-]1 ZINC000264999464 174348024 /nfs/dbraw/zinc/34/80/24/174348024.db2.gz KYXXFLUYOVTALQ-UHFFFAOYSA-N -1 3 246.292 0.128 20 0 BCADHM COCCOCC(=O)Nc1n[n-]c(SC)n1 ZINC000264999464 174348025 /nfs/dbraw/zinc/34/80/25/174348025.db2.gz KYXXFLUYOVTALQ-UHFFFAOYSA-N -1 3 246.292 0.128 20 0 BCADHM COCCOc1ccc(CC(=O)[N-]OC)cc1 ZINC000191909615 174367366 /nfs/dbraw/zinc/36/73/66/174367366.db2.gz YAMAXFHWCGBNDY-UHFFFAOYSA-N -1 3 239.271 0.932 20 0 BCADHM COCCS(=O)(=O)[N-]c1cnccc1C ZINC000154038291 174374075 /nfs/dbraw/zinc/37/40/75/174374075.db2.gz WHLXJOFXIMBGNA-UHFFFAOYSA-N -1 3 230.289 0.778 20 0 BCADHM COC[C@H]([N-]S(=O)(=O)N(C)C)c1ccco1 ZINC000175358080 174583540 /nfs/dbraw/zinc/58/35/40/174583540.db2.gz KUFDSFGYGRMHIY-QMMMGPOBSA-N -1 3 248.304 0.363 20 0 BCADHM COc1ccc(C(=O)NCCCO)c([O-])c1 ZINC000035102397 175059714 /nfs/dbraw/zinc/05/97/14/175059714.db2.gz CGUYFZPBFNBIAR-UHFFFAOYSA-N -1 3 225.244 0.513 20 0 BCADHM COc1ccc(NC(=O)CO[N-]C(C)=O)cc1 ZINC000119928689 175142682 /nfs/dbraw/zinc/14/26/82/175142682.db2.gz FBTNQBULOHNLBF-UHFFFAOYSA-N -1 3 238.243 0.701 20 0 BCADHM COc1ccc([O-])c(C(=O)NC[C@@H](C)O)c1 ZINC000035205430 175157644 /nfs/dbraw/zinc/15/76/44/175157644.db2.gz JHBXYZWJLIMHKZ-SSDOTTSWSA-N -1 3 225.244 0.511 20 0 BCADHM COc1cccc(C(=O)N2CC[C@H](O)C2)c1[O-] ZINC000061704580 175243328 /nfs/dbraw/zinc/24/33/28/175243328.db2.gz AZUWWNPIUTURDL-QMMMGPOBSA-N -1 3 237.255 0.608 20 0 BCADHM COc1cccc(C(=O)NCC[C@@H](C)O)c1[O-] ZINC000085984586 175245794 /nfs/dbraw/zinc/24/57/94/175245794.db2.gz DZWYMXRBLRPQIT-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM COc1ccccc1[C@H](C)NCc1nc(=O)[n-][nH]1 ZINC000271732770 175352434 /nfs/dbraw/zinc/35/24/34/175352434.db2.gz UMKDGQILQIHYTB-QMMMGPOBSA-N -1 3 248.286 0.957 20 0 BCADHM COc1nc(NC(=O)[C@H]2[C@@H](C)C2(F)F)n[n-]1 ZINC000359709050 175388766 /nfs/dbraw/zinc/38/87/66/175388766.db2.gz BNMSBMFEQRVACH-QWWZWVQMSA-N -1 3 232.190 0.653 20 0 BCADHM COc1nnc(NC(=O)[C@H]2[C@@H](C)C2(F)F)[n-]1 ZINC000359709050 175388769 /nfs/dbraw/zinc/38/87/69/175388769.db2.gz BNMSBMFEQRVACH-QWWZWVQMSA-N -1 3 232.190 0.653 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2[C@@H](C)C2(F)F)n1 ZINC000359709050 175388771 /nfs/dbraw/zinc/38/87/71/175388771.db2.gz BNMSBMFEQRVACH-QWWZWVQMSA-N -1 3 232.190 0.653 20 0 BCADHM COc1nnc(NC(=O)C(=O)C(C)(C)C)[n-]1 ZINC000272540280 175393459 /nfs/dbraw/zinc/39/34/59/175393459.db2.gz RRCPUPWDSIFYNX-UHFFFAOYSA-N -1 3 226.236 0.367 20 0 BCADHM COc1nc(NC(=O)C(=O)C(C)(C)C)n[n-]1 ZINC000272540280 175393461 /nfs/dbraw/zinc/39/34/61/175393461.db2.gz RRCPUPWDSIFYNX-UHFFFAOYSA-N -1 3 226.236 0.367 20 0 BCADHM COc1n[n-]c(NC(=O)C(=O)C(C)(C)C)n1 ZINC000272540280 175393463 /nfs/dbraw/zinc/39/34/63/175393463.db2.gz RRCPUPWDSIFYNX-UHFFFAOYSA-N -1 3 226.236 0.367 20 0 BCADHM COc1nnc(NC(=O)C2CCOCC2)[n-]1 ZINC000126779733 175393588 /nfs/dbraw/zinc/39/35/88/175393588.db2.gz AUMFEDKFAGPWEE-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM COc1nc(NC(=O)C2CCOCC2)n[n-]1 ZINC000126779733 175393590 /nfs/dbraw/zinc/39/35/90/175393590.db2.gz AUMFEDKFAGPWEE-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM COc1n[n-]c(NC(=O)C2CCOCC2)n1 ZINC000126779733 175393591 /nfs/dbraw/zinc/39/35/91/175393591.db2.gz AUMFEDKFAGPWEE-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM COc1nnc(NC(=O)[C@@H](C)CSC)[n-]1 ZINC000179369741 175393692 /nfs/dbraw/zinc/39/36/92/175393692.db2.gz YQRGDFHOWSCFQL-YFKPBYRVSA-N -1 3 230.293 0.751 20 0 BCADHM COc1nc(NC(=O)[C@@H](C)CSC)n[n-]1 ZINC000179369741 175393694 /nfs/dbraw/zinc/39/36/94/175393694.db2.gz YQRGDFHOWSCFQL-YFKPBYRVSA-N -1 3 230.293 0.751 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](C)CSC)n1 ZINC000179369741 175393696 /nfs/dbraw/zinc/39/36/96/175393696.db2.gz YQRGDFHOWSCFQL-YFKPBYRVSA-N -1 3 230.293 0.751 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCCO[C@@H]2C)[n-]1 ZINC000189931521 175394400 /nfs/dbraw/zinc/39/44/00/175394400.db2.gz ZIHWSQPPKZMKHL-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCCO[C@@H]2C)n[n-]1 ZINC000189931521 175394401 /nfs/dbraw/zinc/39/44/01/175394401.db2.gz ZIHWSQPPKZMKHL-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCCO[C@@H]2C)n1 ZINC000189931521 175394402 /nfs/dbraw/zinc/39/44/02/175394402.db2.gz ZIHWSQPPKZMKHL-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)[n-]1 ZINC000282262332 175394745 /nfs/dbraw/zinc/39/47/45/175394745.db2.gz BZORXKNGMHLAMF-RRKCRQDMSA-N -1 3 240.263 0.565 20 0 BCADHM COc1nc(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)n[n-]1 ZINC000282262332 175394747 /nfs/dbraw/zinc/39/47/47/175394747.db2.gz BZORXKNGMHLAMF-RRKCRQDMSA-N -1 3 240.263 0.565 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)n1 ZINC000282262332 175394749 /nfs/dbraw/zinc/39/47/49/175394749.db2.gz BZORXKNGMHLAMF-RRKCRQDMSA-N -1 3 240.263 0.565 20 0 BCADHM COc1nnc(NC(=O)Cc2ccccc2)[n-]1 ZINC000129436516 175394784 /nfs/dbraw/zinc/39/47/84/175394784.db2.gz LGMTZEILCIDTTF-UHFFFAOYSA-N -1 3 232.243 0.995 20 0 BCADHM COc1nc(NC(=O)Cc2ccccc2)n[n-]1 ZINC000129436516 175394786 /nfs/dbraw/zinc/39/47/86/175394786.db2.gz LGMTZEILCIDTTF-UHFFFAOYSA-N -1 3 232.243 0.995 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2ccccc2)n1 ZINC000129436516 175394787 /nfs/dbraw/zinc/39/47/87/175394787.db2.gz LGMTZEILCIDTTF-UHFFFAOYSA-N -1 3 232.243 0.995 20 0 BCADHM COc1nnc(NC(=O)C2[C@@H]3CCC[C@H]23)[n-]1 ZINC000127819769 175394935 /nfs/dbraw/zinc/39/49/35/175394935.db2.gz YPTABNXDXGAIQG-MEKDEQNOSA-N -1 3 222.248 0.798 20 0 BCADHM COc1nc(NC(=O)C2[C@@H]3CCC[C@H]23)n[n-]1 ZINC000127819769 175394937 /nfs/dbraw/zinc/39/49/37/175394937.db2.gz YPTABNXDXGAIQG-MEKDEQNOSA-N -1 3 222.248 0.798 20 0 BCADHM COc1n[n-]c(NC(=O)C2[C@@H]3CCC[C@H]23)n1 ZINC000127819769 175394939 /nfs/dbraw/zinc/39/49/39/175394939.db2.gz YPTABNXDXGAIQG-MEKDEQNOSA-N -1 3 222.248 0.798 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CC2(C)C)[n-]1 ZINC000226559756 175394943 /nfs/dbraw/zinc/39/49/43/175394943.db2.gz WIZDQOUEXAFTPQ-YFKPBYRVSA-N -1 3 210.237 0.798 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CC2(C)C)n[n-]1 ZINC000226559756 175394945 /nfs/dbraw/zinc/39/49/45/175394945.db2.gz WIZDQOUEXAFTPQ-YFKPBYRVSA-N -1 3 210.237 0.798 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CC2(C)C)n1 ZINC000226559756 175394947 /nfs/dbraw/zinc/39/49/47/175394947.db2.gz WIZDQOUEXAFTPQ-YFKPBYRVSA-N -1 3 210.237 0.798 20 0 BCADHM COc1nnc(NC(=O)CCC(C)=O)[n-]1 ZINC000282427902 175394985 /nfs/dbraw/zinc/39/49/85/175394985.db2.gz FBXABBVHQZAHIG-UHFFFAOYSA-N -1 3 212.209 0.121 20 0 BCADHM COc1nc(NC(=O)CCC(C)=O)n[n-]1 ZINC000282427902 175394986 /nfs/dbraw/zinc/39/49/86/175394986.db2.gz FBXABBVHQZAHIG-UHFFFAOYSA-N -1 3 212.209 0.121 20 0 BCADHM COc1n[n-]c(NC(=O)CCC(C)=O)n1 ZINC000282427902 175394988 /nfs/dbraw/zinc/39/49/88/175394988.db2.gz FBXABBVHQZAHIG-UHFFFAOYSA-N -1 3 212.209 0.121 20 0 BCADHM COc1ncc(C)cc1[N-]S(=O)(=O)N(C)C ZINC000176715717 175397779 /nfs/dbraw/zinc/39/77/79/175397779.db2.gz XEYZFOWVCYRXAY-UHFFFAOYSA-N -1 3 245.304 0.617 20 0 BCADHM C[C@@H](F)CC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000339031672 175789551 /nfs/dbraw/zinc/78/95/51/175789551.db2.gz FHAISYQRWGLPBT-SSDOTTSWSA-N -1 3 235.284 0.447 20 0 BCADHM C[C@@H](Oc1cccnc1)C(=O)[N-]c1nncn1C ZINC000156936964 176006067 /nfs/dbraw/zinc/00/60/67/176006067.db2.gz YJSVDZXSBCLOGI-MRVPVSSYSA-N -1 3 247.258 0.616 20 0 BCADHM C[C@@H]1CC(NC(=O)c2ccc3n[n-]nc3c2)=NO1 ZINC000270842675 176054123 /nfs/dbraw/zinc/05/41/23/176054123.db2.gz NJEZTALFODWUMW-ZCFIWIBFSA-N -1 3 245.242 0.810 20 0 BCADHM C[C@@H]1CC(NC(=O)c2ccc(O)cc2[O-])=NO1 ZINC000272973993 176054773 /nfs/dbraw/zinc/05/47/73/176054773.db2.gz LBJOGMCMGOHORA-ZCFIWIBFSA-N -1 3 236.227 0.950 20 0 BCADHM C[C@H](CNC(=O)C(=O)[O-])N1CCCC[C@H]1C ZINC000336722364 176075914 /nfs/dbraw/zinc/07/59/14/176075914.db2.gz ASEPCBUYSGXVJQ-RKDXNWHRSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@@H]1CCN(C)CCN1C(=O)c1cncc([O-])c1 ZINC000339951407 176166865 /nfs/dbraw/zinc/16/68/65/176166865.db2.gz BTPWIAQMZKQHCP-SNVBAGLBSA-N -1 3 249.314 0.953 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])CC(=O)N1C ZINC000282468698 176263001 /nfs/dbraw/zinc/26/30/01/176263001.db2.gz UOVBCSKVZAJIES-SECBINFHSA-N -1 3 248.282 0.695 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1C/C=C/Cl ZINC000295143892 177057707 /nfs/dbraw/zinc/05/77/07/177057707.db2.gz FEAVDAHZVOKODX-YUDCMIJISA-N -1 3 238.696 0.146 20 0 BCADHM C[C@@H](CNC(=O)C(=O)[O-])N1CCCC[C@@H]1C ZINC000336722355 177078925 /nfs/dbraw/zinc/07/89/25/177078925.db2.gz ASEPCBUYSGXVJQ-IUCAKERBSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@H]1CCC[C@@]1(O)CNC(=O)c1c[n-]nn1 ZINC000294487526 177128680 /nfs/dbraw/zinc/12/86/80/177128680.db2.gz XLRUDHPNNIJYSL-OIBJUYFYSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@H]1CCC[C@@]1(O)CNC(=O)c1cnn[n-]1 ZINC000294487526 177128681 /nfs/dbraw/zinc/12/86/81/177128681.db2.gz XLRUDHPNNIJYSL-OIBJUYFYSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@H]1CCC[C@@]1(O)CNC(=O)c1cn[n-]n1 ZINC000294487526 177128683 /nfs/dbraw/zinc/12/86/83/177128683.db2.gz XLRUDHPNNIJYSL-OIBJUYFYSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@H]1CCOCCN1Cc1n[n-]c(=O)s1 ZINC000367459357 177177904 /nfs/dbraw/zinc/17/79/04/177177904.db2.gz SOYSVRALFNOWBW-ZETCQYMHSA-N -1 3 229.305 0.855 20 0 BCADHM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1nnn[n-]1 ZINC000346178845 177185598 /nfs/dbraw/zinc/18/55/98/177185598.db2.gz CKBRRTLGQMAMAI-KNVOCYPGSA-N -1 3 224.268 0.011 20 0 BCADHM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1nn[n-]n1 ZINC000346178845 177185599 /nfs/dbraw/zinc/18/55/99/177185599.db2.gz CKBRRTLGQMAMAI-KNVOCYPGSA-N -1 3 224.268 0.011 20 0 BCADHM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H](C)N1 ZINC000070075940 177231981 /nfs/dbraw/zinc/23/19/81/177231981.db2.gz NOSHWMZTSDAFKQ-IUCAKERBSA-N -1 3 235.287 0.610 20 0 BCADHM C[C@H]1COCC[C@H]1CNC(=O)c1c[n-]nn1 ZINC000286499923 177295895 /nfs/dbraw/zinc/29/58/95/177295895.db2.gz ARIWCRFZOYOWBF-YUMQZZPRSA-N -1 3 224.264 0.207 20 0 BCADHM C[C@H]1COCC[C@H]1CNC(=O)c1cnn[n-]1 ZINC000286499923 177295897 /nfs/dbraw/zinc/29/58/97/177295897.db2.gz ARIWCRFZOYOWBF-YUMQZZPRSA-N -1 3 224.264 0.207 20 0 BCADHM C[C@H]1COCC[C@H]1CNC(=O)c1cn[n-]n1 ZINC000286499923 177295898 /nfs/dbraw/zinc/29/58/98/177295898.db2.gz ARIWCRFZOYOWBF-YUMQZZPRSA-N -1 3 224.264 0.207 20 0 BCADHM C[C@@H]1C[C@@H](CNC(=O)c2c[n-]nn2)C[C@H](C)O1 ZINC000281769320 177362434 /nfs/dbraw/zinc/36/24/34/177362434.db2.gz UKRXICRLCKYUCP-AYMMMOKOSA-N -1 3 238.291 0.738 20 0 BCADHM C[C@@H]1C[C@@H](CNC(=O)c2cnn[n-]2)C[C@H](C)O1 ZINC000281769320 177362435 /nfs/dbraw/zinc/36/24/35/177362435.db2.gz UKRXICRLCKYUCP-AYMMMOKOSA-N -1 3 238.291 0.738 20 0 BCADHM C[C@@H]1C[C@@H](CNC(=O)c2cn[n-]n2)C[C@H](C)O1 ZINC000281769320 177362436 /nfs/dbraw/zinc/36/24/36/177362436.db2.gz UKRXICRLCKYUCP-AYMMMOKOSA-N -1 3 238.291 0.738 20 0 BCADHM C[C@](O)(C[N-]S(=O)(=O)C1CC1)C(F)(F)F ZINC000331742655 177450080 /nfs/dbraw/zinc/45/00/80/177450080.db2.gz GPHVXCKMUKHXJW-LURJTMIESA-N -1 3 247.238 0.382 20 0 BCADHM COc1nc(NC(=O)[C@@](C)(O)C2CCC2)n[n-]1 ZINC000486951608 225274580 /nfs/dbraw/zinc/27/45/80/225274580.db2.gz SKTJCQJTBLUJFN-JTQLQIEISA-N -1 3 240.263 0.303 20 0 BCADHM COc1nnc(NC(=O)[C@@](C)(O)C2CCC2)[n-]1 ZINC000486951608 225274606 /nfs/dbraw/zinc/27/46/06/225274606.db2.gz SKTJCQJTBLUJFN-JTQLQIEISA-N -1 3 240.263 0.303 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@](C)(O)C2CCC2)n1 ZINC000486951608 225274608 /nfs/dbraw/zinc/27/46/08/225274608.db2.gz SKTJCQJTBLUJFN-JTQLQIEISA-N -1 3 240.263 0.303 20 0 BCADHM COc1nnc(NC(=O)C=Cc2cnccn2)[n-]1 ZINC000492523659 226012009 /nfs/dbraw/zinc/01/20/09/226012009.db2.gz XKWIWOOKJAQCCW-IHWYPQMZSA-N -1 3 246.230 0.255 20 0 BCADHM COc1nc(NC(=O)C=Cc2cnccn2)n[n-]1 ZINC000492523659 226012012 /nfs/dbraw/zinc/01/20/12/226012012.db2.gz XKWIWOOKJAQCCW-IHWYPQMZSA-N -1 3 246.230 0.255 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2cnccn2)n1 ZINC000492523659 226012018 /nfs/dbraw/zinc/01/20/18/226012018.db2.gz XKWIWOOKJAQCCW-IHWYPQMZSA-N -1 3 246.230 0.255 20 0 BCADHM COc1nnc(NC(=O)C=CC2CC2)[n-]1 ZINC000492521966 226012577 /nfs/dbraw/zinc/01/25/77/226012577.db2.gz RWYNQMWIBHWBEV-PLNGDYQASA-N -1 3 208.221 0.718 20 0 BCADHM COc1nc(NC(=O)C=CC2CC2)n[n-]1 ZINC000492521966 226012582 /nfs/dbraw/zinc/01/25/82/226012582.db2.gz RWYNQMWIBHWBEV-PLNGDYQASA-N -1 3 208.221 0.718 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C\C2CC2)n1 ZINC000492521966 226012584 /nfs/dbraw/zinc/01/25/84/226012584.db2.gz RWYNQMWIBHWBEV-PLNGDYQASA-N -1 3 208.221 0.718 20 0 BCADHM O=C(C=Cc1cncc([O-])c1)NCc1cc[nH]n1 ZINC000492523205 226012934 /nfs/dbraw/zinc/01/29/34/226012934.db2.gz WFZIORRMEBRKHO-UPHRSURJSA-N -1 3 244.254 0.840 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CCC(=O)CC1 ZINC000492477470 226004790 /nfs/dbraw/zinc/00/47/90/226004790.db2.gz VIACKSJPKXWNNW-OWOJBTEDSA-N -1 3 246.266 0.992 20 0 BCADHM O=C(/C=C/c1cnccn1)[N-]O[C@H]1CCOC1 ZINC000492501273 226009118 /nfs/dbraw/zinc/00/91/18/226009118.db2.gz JIPJTHZYKFKUAE-YOLVWIGZSA-N -1 3 235.243 0.327 20 0 BCADHM O=C(/C=C/c1ccccc1)[N-]OCCO ZINC000492648769 226032428 /nfs/dbraw/zinc/03/24/28/226032428.db2.gz LOSADPOYBNOBEW-VOTSOKGWSA-N -1 3 207.229 0.740 20 0 BCADHM Cn1nccc1/C=C\C(=O)[N-]OCC1CC1 ZINC000492809259 226056651 /nfs/dbraw/zinc/05/66/51/226056651.db2.gz PFZFBJZYWDLHNK-PLNGDYQASA-N -1 3 221.260 0.891 20 0 BCADHM CCn1nccc1/C=C/C(=O)[N-]OCCOC ZINC000492807266 226057871 /nfs/dbraw/zinc/05/78/71/226057871.db2.gz AZEOXPDZOPLWOB-SNAWJCMRSA-N -1 3 239.275 0.610 20 0 BCADHM Cc1ncc(/C=C/C(=O)[N-]OCCCO)s1 ZINC000493000087 226100357 /nfs/dbraw/zinc/10/03/57/226100357.db2.gz WNTSPDBMDWXQNL-ONEGZZNKSA-N -1 3 242.300 0.895 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NC1(CO)CC1 ZINC000493127915 226134965 /nfs/dbraw/zinc/13/49/65/226134965.db2.gz SJOWMWUOEVIZTE-OWOJBTEDSA-N -1 3 234.255 0.442 20 0 BCADHM Cc1ccc(/C=C/C(=O)[N-]OCCCO)nc1 ZINC000493641171 226247202 /nfs/dbraw/zinc/24/72/02/226247202.db2.gz AYGCZKXNUFJGRW-AATRIKPKSA-N -1 3 236.271 0.833 20 0 BCADHM Cc1cnc(C(=O)NC[C@H](C)N(C)C)c([O-])c1 ZINC000495020133 226274573 /nfs/dbraw/zinc/27/45/73/226274573.db2.gz RJTXGFPMWIXJEI-VIFPVBQESA-N -1 3 237.303 0.776 20 0 BCADHM CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000087513081 487665678 /nfs/dbraw/zinc/66/56/78/487665678.db2.gz LIYBJDOHDLGSAF-BBBLOLIVSA-N -1 3 244.335 0.833 20 0 BCADHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000565772886 322938136 /nfs/dbraw/zinc/93/81/36/322938136.db2.gz YBEYDXQDFPBTAA-QMMMGPOBSA-N -1 3 247.320 0.123 20 0 BCADHM Cn1cncc1C(=O)NCc1ncccc1[O-] ZINC000557523618 322938664 /nfs/dbraw/zinc/93/86/64/322938664.db2.gz NEJOSKSBCYCULV-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM CN(C)CCN(C)c1ncccc1C(=O)[O-] ZINC000082542471 487669291 /nfs/dbraw/zinc/66/92/91/487669291.db2.gz USCKIPDOYOGNFJ-UHFFFAOYSA-N -1 3 223.276 0.778 20 0 BCADHM C[C@@H]1C[C@H](C(=O)Nc2ccncc2[O-])[C@@H](C)O1 ZINC000632169626 487673112 /nfs/dbraw/zinc/67/31/12/487673112.db2.gz ABEDBYUBNKZLDK-HLTSFMKQSA-N -1 3 236.271 0.961 20 0 BCADHM CCC[C@@H](NC(=O)[C@H](C)N(C)C)c1nnn[n-]1 ZINC000675144481 487673598 /nfs/dbraw/zinc/67/35/98/487673598.db2.gz NVBXJGCEYUHURV-JGVFFNPUSA-N -1 3 240.311 0.107 20 0 BCADHM CCC[C@@H](NC(=O)[C@H](C)N(C)C)c1nn[n-]n1 ZINC000675144481 487673602 /nfs/dbraw/zinc/67/36/02/487673602.db2.gz NVBXJGCEYUHURV-JGVFFNPUSA-N -1 3 240.311 0.107 20 0 BCADHM CCC[C@H](NC(=O)[C@H](C)N(C)C)c1nnn[n-]1 ZINC000675144482 487673749 /nfs/dbraw/zinc/67/37/49/487673749.db2.gz NVBXJGCEYUHURV-YUMQZZPRSA-N -1 3 240.311 0.107 20 0 BCADHM CCC[C@H](NC(=O)[C@H](C)N(C)C)c1nn[n-]n1 ZINC000675144482 487673755 /nfs/dbraw/zinc/67/37/55/487673755.db2.gz NVBXJGCEYUHURV-YUMQZZPRSA-N -1 3 240.311 0.107 20 0 BCADHM O=C(NCc1c[nH]nn1)c1ccc([O-])c(F)c1 ZINC000681052218 487706608 /nfs/dbraw/zinc/70/66/08/487706608.db2.gz SNAIHHVIYDTSPQ-UHFFFAOYSA-N -1 3 236.206 0.579 20 0 BCADHM C[C@H](C[C@H]1CCOC1)NC(=O)c1c[n-]nn1 ZINC000675354115 487717669 /nfs/dbraw/zinc/71/76/69/487717669.db2.gz XIAWYWOMABSKDB-HTQZYQBOSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](C[C@H]1CCOC1)NC(=O)c1cnn[n-]1 ZINC000675354115 487717671 /nfs/dbraw/zinc/71/76/71/487717671.db2.gz XIAWYWOMABSKDB-HTQZYQBOSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](C[C@H]1CCOC1)NC(=O)c1cn[n-]n1 ZINC000675354115 487717675 /nfs/dbraw/zinc/71/76/75/487717675.db2.gz XIAWYWOMABSKDB-HTQZYQBOSA-N -1 3 224.264 0.350 20 0 BCADHM CN1CCCN(c2ccnc(C(=O)[O-])c2)CC1 ZINC000036896426 487751653 /nfs/dbraw/zinc/75/16/53/487751653.db2.gz JJZHQFMLOYAQGJ-UHFFFAOYSA-N -1 3 235.287 0.922 20 0 BCADHM CCCN1CCC[C@H]1C(=O)[N-]OCC ZINC000749564592 585203842 /nfs/dbraw/zinc/20/38/42/585203842.db2.gz GSLPMPWNMPTVKF-VIFPVBQESA-N -1 3 200.282 0.929 20 0 BCADHM C[C@H](CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)N(C)C ZINC000163999791 487787372 /nfs/dbraw/zinc/78/73/72/487787372.db2.gz VFUJACDZGFSCQO-RKDXNWHRSA-N -1 3 244.335 0.800 20 0 BCADHM CCOCCO[N-]C(=O)CCC(C)=O ZINC000773917869 585646442 /nfs/dbraw/zinc/64/64/42/585646442.db2.gz LKXYSRYRXAYOBA-UHFFFAOYSA-N -1 3 203.238 0.440 20 0 BCADHM CCOCCO[N-]C(=O)CCC(C)(C)O ZINC000787533927 585911262 /nfs/dbraw/zinc/91/12/62/585911262.db2.gz OBOASOWFUQQYRU-UHFFFAOYSA-N -1 3 219.281 0.622 20 0 BCADHM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CCF ZINC000833833843 587735306 /nfs/dbraw/zinc/73/53/06/587735306.db2.gz LAJHANBXGFACFS-HTQZYQBOSA-N -1 3 204.245 0.934 20 0 BCADHM COC/C(C)=C\C(=O)[N-]OCC(C)(C)O ZINC000834628570 587761926 /nfs/dbraw/zinc/76/19/26/587761926.db2.gz RHULTMMUJFGTFX-YVMONPNESA-N -1 3 217.265 0.398 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CN(C)C(C)C ZINC000836898810 587842212 /nfs/dbraw/zinc/84/22/12/587842212.db2.gz OPGOUPWRINJYFI-SNVBAGLBSA-N -1 3 232.324 0.391 20 0 BCADHM CCCCCOC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845366974 588228147 /nfs/dbraw/zinc/22/81/47/588228147.db2.gz HNQAXSHXVKYMLB-QMMMGPOBSA-N -1 3 235.305 0.412 20 0 BCADHM CC[C@H](C)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845373035 588228443 /nfs/dbraw/zinc/22/84/43/588228443.db2.gz MTUJBCCPGVHNFR-NKWVEPMBSA-N -1 3 221.278 0.020 20 0 BCADHM COCCCO[N-]C(=O)/C=C(/C)COC ZINC000846141192 588258319 /nfs/dbraw/zinc/25/83/19/588258319.db2.gz FVYYIEQLRFXHMF-CLFYSBASSA-N -1 3 217.265 0.663 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc[nH]c1=O ZINC000558669670 322953308 /nfs/dbraw/zinc/95/33/08/322953308.db2.gz BCBRCNAHSZGKHP-SSDOTTSWSA-N -1 3 246.288 0.564 20 0 BCADHM Cn1nnc2c1nccc2C(=O)[N-]c1cnoc1 ZINC000669825765 487865892 /nfs/dbraw/zinc/86/58/92/487865892.db2.gz WXRAQDSOUUNBED-UHFFFAOYSA-N -1 3 244.214 0.604 20 0 BCADHM O=C(Nc1cnn(CC2CC2)c1)c1nc[n-]n1 ZINC000676531303 487867182 /nfs/dbraw/zinc/86/71/82/487867182.db2.gz WXVSMAPSBVOXJJ-UHFFFAOYSA-N -1 3 232.247 0.664 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCCc1ncc[nH]1 ZINC000518396471 322962975 /nfs/dbraw/zinc/96/29/75/322962975.db2.gz DUPSFOAGVMFRPF-UHFFFAOYSA-N -1 3 246.270 0.412 20 0 BCADHM Cc1cccc(C(=O)NC2(C(N)=O)CCC2)c1[O-] ZINC000676681950 487891291 /nfs/dbraw/zinc/89/12/91/487891291.db2.gz BQWCCBDODGIRQT-UHFFFAOYSA-N -1 3 248.282 0.838 20 0 BCADHM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)C)c1[O-] ZINC000676692769 487892472 /nfs/dbraw/zinc/89/24/72/487892472.db2.gz DUCVZTRKXDESON-ZCFIWIBFSA-N -1 3 226.280 0.104 20 0 BCADHM COC[C@@H](OC)C(=O)Nc1ccccc1[O-] ZINC000666920847 487904634 /nfs/dbraw/zinc/90/46/34/487904634.db2.gz FTBQCYWELZKFKS-SNVBAGLBSA-N -1 3 225.244 0.992 20 0 BCADHM CN1CCC[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000682081000 487904740 /nfs/dbraw/zinc/90/47/40/487904740.db2.gz DALGXJOMILUUIC-VIFPVBQESA-N -1 3 244.316 0.652 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@H]1CCNC1=O ZINC000666920892 487904750 /nfs/dbraw/zinc/90/47/50/487904750.db2.gz HCUCNEIWQYCHHZ-ZETCQYMHSA-N -1 3 220.228 0.467 20 0 BCADHM CC(C)(CO)C[N-]S(=O)(=O)c1ccco1 ZINC000682082878 487906120 /nfs/dbraw/zinc/90/61/20/487906120.db2.gz BUCZRIFAMYPMCW-UHFFFAOYSA-N -1 3 233.289 0.576 20 0 BCADHM C[C@H](CC(=O)Nc1ccccc1[O-])NC(N)=O ZINC000654565795 487938016 /nfs/dbraw/zinc/93/80/16/487938016.db2.gz FEPCEVWVRAPZKE-SSDOTTSWSA-N -1 3 237.259 0.778 20 0 BCADHM Cc1ccc(C(=O)NC2(C(N)=O)CC2)c([O-])c1 ZINC000150739489 322995693 /nfs/dbraw/zinc/99/56/93/322995693.db2.gz XELKMHGNXXUDBV-UHFFFAOYSA-N -1 3 234.255 0.448 20 0 BCADHM COC(=O)c1cc(C(=O)Nc2ncn(C)n2)c[n-]1 ZINC000562186571 323013094 /nfs/dbraw/zinc/01/30/94/323013094.db2.gz NWRVYGYHKSLGOV-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM COC1(C(=O)[N-]c2nncn2C)CCCC1 ZINC000562332709 323016576 /nfs/dbraw/zinc/01/65/76/323016576.db2.gz HQFIPGWDARMWJU-UHFFFAOYSA-N -1 3 224.264 0.713 20 0 BCADHM O[C@H](CN=c1ncnc2[nH][n-]cc1-2)C1CCC1 ZINC000562704319 323028336 /nfs/dbraw/zinc/02/83/36/323028336.db2.gz QCGHCTHDWPRXHQ-SECBINFHSA-N -1 3 233.275 0.299 20 0 BCADHM C[C@H](NC(=O)Cc1cncc([O-])c1)c1nc[nH]n1 ZINC000569756294 323039837 /nfs/dbraw/zinc/03/98/37/323039837.db2.gz DVKIZVGLSPQCHC-ZETCQYMHSA-N -1 3 247.258 0.325 20 0 BCADHM CNC(=O)CSCc1ncccc1[O-] ZINC000570118815 323050595 /nfs/dbraw/zinc/05/05/95/323050595.db2.gz XGOACBDOJZXZDU-UHFFFAOYSA-N -1 3 212.274 0.766 20 0 BCADHM CN(Cc1ncccc1[O-])[C@H]1CCC(=O)N(C)C1 ZINC000570824177 323071753 /nfs/dbraw/zinc/07/17/53/323071753.db2.gz PAZKUAILCAGJDE-JTQLQIEISA-N -1 3 249.314 0.840 20 0 BCADHM COc1nc(NC(=O)[C@]2(C)CCCCO2)n[n-]1 ZINC000562999993 323078983 /nfs/dbraw/zinc/07/89/83/323078983.db2.gz WSGDDZJJYSLQMK-JTQLQIEISA-N -1 3 240.263 0.711 20 0 BCADHM COc1nnc(NC(=O)[C@]2(C)CCCCO2)[n-]1 ZINC000562999993 323078984 /nfs/dbraw/zinc/07/89/84/323078984.db2.gz WSGDDZJJYSLQMK-JTQLQIEISA-N -1 3 240.263 0.711 20 0 BCADHM COc1n[n-]c(NC(=O)[C@]2(C)CCCCO2)n1 ZINC000562999993 323078985 /nfs/dbraw/zinc/07/89/85/323078985.db2.gz WSGDDZJJYSLQMK-JTQLQIEISA-N -1 3 240.263 0.711 20 0 BCADHM CSC[C@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000567771264 323081185 /nfs/dbraw/zinc/08/11/85/323081185.db2.gz XFMXPKVEWBDSDJ-ZETCQYMHSA-N -1 3 249.361 0.450 20 0 BCADHM C[C@@H](O)[C@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000161033332 323144156 /nfs/dbraw/zinc/14/41/56/323144156.db2.gz KSRFJVHNHJJGET-BDAKNGLRSA-N -1 3 236.271 0.987 20 0 BCADHM C[C@H]1CC(C)(C)CN1CC(=O)Nc1nnn[n-]1 ZINC000571620785 323149555 /nfs/dbraw/zinc/14/95/55/323149555.db2.gz ZTEFCPCTJDREMY-ZETCQYMHSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@H]1CC(C)(C)CN1CC(=O)Nc1nn[n-]n1 ZINC000571620785 323149556 /nfs/dbraw/zinc/14/95/56/323149556.db2.gz ZTEFCPCTJDREMY-ZETCQYMHSA-N -1 3 238.295 0.259 20 0 BCADHM COC(=O)NCC(=O)Nc1ccccc1[O-] ZINC000048911850 323156057 /nfs/dbraw/zinc/15/60/57/323156057.db2.gz PXXGSVCTHIZAQI-UHFFFAOYSA-N -1 3 224.216 0.687 20 0 BCADHM CC(C)CCOCCNC(=O)c1c[n-]nn1 ZINC000049402903 323160332 /nfs/dbraw/zinc/16/03/32/323160332.db2.gz JPRGKQQHAAWPER-UHFFFAOYSA-N -1 3 226.280 0.597 20 0 BCADHM CC(C)CCOCCNC(=O)c1cnn[n-]1 ZINC000049402903 323160333 /nfs/dbraw/zinc/16/03/33/323160333.db2.gz JPRGKQQHAAWPER-UHFFFAOYSA-N -1 3 226.280 0.597 20 0 BCADHM CC(C)CCOCCNC(=O)c1cn[n-]n1 ZINC000049402903 323160334 /nfs/dbraw/zinc/16/03/34/323160334.db2.gz JPRGKQQHAAWPER-UHFFFAOYSA-N -1 3 226.280 0.597 20 0 BCADHM CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000049424497 323160810 /nfs/dbraw/zinc/16/08/10/323160810.db2.gz HKBYZEDPMPRHHC-UHFFFAOYSA-N -1 3 203.205 0.825 20 0 BCADHM CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000049424497 323160811 /nfs/dbraw/zinc/16/08/11/323160811.db2.gz HKBYZEDPMPRHHC-UHFFFAOYSA-N -1 3 203.205 0.825 20 0 BCADHM CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000049424497 323160812 /nfs/dbraw/zinc/16/08/12/323160812.db2.gz HKBYZEDPMPRHHC-UHFFFAOYSA-N -1 3 203.205 0.825 20 0 BCADHM O=C([N-]c1nncs1)c1cn2cccnc2n1 ZINC000051452060 323189334 /nfs/dbraw/zinc/18/93/34/323189334.db2.gz ZAONEIZLQQOHTL-UHFFFAOYSA-N -1 3 246.255 0.833 20 0 BCADHM O=C(N[C@H]1CCO[C@H]1C1CC1)c1c[n-]nn1 ZINC000230320850 323204648 /nfs/dbraw/zinc/20/46/48/323204648.db2.gz CATXGFONFWKWIY-CBAPKCEASA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@H]1CCO[C@H]1C1CC1)c1cnn[n-]1 ZINC000230320850 323204649 /nfs/dbraw/zinc/20/46/49/323204649.db2.gz CATXGFONFWKWIY-CBAPKCEASA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@H]1CCO[C@H]1C1CC1)c1cn[n-]n1 ZINC000230320850 323204650 /nfs/dbraw/zinc/20/46/50/323204650.db2.gz CATXGFONFWKWIY-CBAPKCEASA-N -1 3 222.248 0.102 20 0 BCADHM C[C@@H](O)CNC(=O)c1cccc2nn[n-]c21 ZINC000526119964 323231732 /nfs/dbraw/zinc/23/17/32/323231732.db2.gz HSBFEEKXXLEQTR-ZCFIWIBFSA-N -1 3 220.232 0.069 20 0 BCADHM C[C@@H](O)CNC(=O)c1cccc2[n-]nnc21 ZINC000526119964 323231735 /nfs/dbraw/zinc/23/17/35/323231735.db2.gz HSBFEEKXXLEQTR-ZCFIWIBFSA-N -1 3 220.232 0.069 20 0 BCADHM C[C@@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC000526119964 323231737 /nfs/dbraw/zinc/23/17/37/323231737.db2.gz HSBFEEKXXLEQTR-ZCFIWIBFSA-N -1 3 220.232 0.069 20 0 BCADHM CN(CC[C@@H]1CCCO1)Cc1nc(=O)n(C)[n-]1 ZINC000526964184 323306882 /nfs/dbraw/zinc/30/68/82/323306882.db2.gz PFMMJKBUKVMOEQ-VIFPVBQESA-N -1 3 240.307 0.109 20 0 BCADHM O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1nc[n-]n1 ZINC000526960161 323307779 /nfs/dbraw/zinc/30/77/79/323307779.db2.gz RWUWKFOOGLOSPB-ZETCQYMHSA-N -1 3 248.246 0.632 20 0 BCADHM O=S(=O)(N[C@@H]1C[C@H]1CO)c1ccc([O-])cc1 ZINC000563953507 323333429 /nfs/dbraw/zinc/33/34/29/323333429.db2.gz TUVRYBHECKWVFN-OIBJUYFYSA-N -1 3 243.284 0.051 20 0 BCADHM Cn1cc(NC(=O)[N-]c2cnns2)cn1 ZINC000192340972 324197006 /nfs/dbraw/zinc/19/70/06/324197006.db2.gz XFSFRVYVIDFEOM-UHFFFAOYSA-N -1 3 224.249 0.916 20 0 BCADHM CCn1nncc1CNC(=O)c1ccccc1[O-] ZINC000529560227 324342592 /nfs/dbraw/zinc/34/25/92/324342592.db2.gz VORXBJMIWJZTBA-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM O=C(NCC[C@@H]1CCCOC1)c1c[n-]nn1 ZINC000529603020 324360627 /nfs/dbraw/zinc/36/06/27/324360627.db2.gz UFODZAWRNGOABN-QMMMGPOBSA-N -1 3 224.264 0.351 20 0 BCADHM O=C(NCC[C@@H]1CCCOC1)c1cnn[n-]1 ZINC000529603020 324360630 /nfs/dbraw/zinc/36/06/30/324360630.db2.gz UFODZAWRNGOABN-QMMMGPOBSA-N -1 3 224.264 0.351 20 0 BCADHM O=C(NCC[C@@H]1CCCOC1)c1cn[n-]n1 ZINC000529603020 324360635 /nfs/dbraw/zinc/36/06/35/324360635.db2.gz UFODZAWRNGOABN-QMMMGPOBSA-N -1 3 224.264 0.351 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N(CCO)C1CC1 ZINC000543748969 325108996 /nfs/dbraw/zinc/10/89/96/325108996.db2.gz QFLOOJWCWMZOPI-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N(CCO)C1CC1 ZINC000543748969 325108999 /nfs/dbraw/zinc/10/89/99/325108999.db2.gz QFLOOJWCWMZOPI-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N(CCO)C1CC1 ZINC000543748969 325109002 /nfs/dbraw/zinc/10/90/02/325109002.db2.gz QFLOOJWCWMZOPI-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM COC[C@](C)(O)C(=O)Nc1ncccc1[O-] ZINC000544025653 325127967 /nfs/dbraw/zinc/12/79/67/325127967.db2.gz QPUQKSYQWOOKMO-JTQLQIEISA-N -1 3 226.232 0.123 20 0 BCADHM O=C(CCc1nnc[nH]1)Nc1ccncc1[O-] ZINC000131989497 325194218 /nfs/dbraw/zinc/19/42/18/325194218.db2.gz KSDDXANZLODMSD-UHFFFAOYSA-N -1 3 233.231 0.477 20 0 BCADHM O=C(CCc1nc[nH]n1)Nc1ccncc1[O-] ZINC000131989497 325194221 /nfs/dbraw/zinc/19/42/21/325194221.db2.gz KSDDXANZLODMSD-UHFFFAOYSA-N -1 3 233.231 0.477 20 0 BCADHM C[C@H]1C[N@@H+](Cc2ncccc2[O-])CC[C@H]1O ZINC000564302995 325281527 /nfs/dbraw/zinc/28/15/27/325281527.db2.gz YGWSLTDHGPKDBL-GXSJLCMTSA-N -1 3 222.288 0.990 20 0 BCADHM C[C@H]1CN(Cc2ncccc2[O-])CC[C@H]1O ZINC000564302995 325281530 /nfs/dbraw/zinc/28/15/30/325281530.db2.gz YGWSLTDHGPKDBL-GXSJLCMTSA-N -1 3 222.288 0.990 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CCNC(=O)C1 ZINC000136080127 325440739 /nfs/dbraw/zinc/44/07/39/325440739.db2.gz HIBIGMXWCKODIG-ZETCQYMHSA-N -1 3 235.243 0.252 20 0 BCADHM Cn1cnc([N-]C(=O)c2nccn3ccnc23)n1 ZINC000554456835 325721234 /nfs/dbraw/zinc/72/12/34/325721234.db2.gz YOTYSGIQIQFJLO-UHFFFAOYSA-N -1 3 243.230 0.110 20 0 BCADHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000564908198 325825161 /nfs/dbraw/zinc/82/51/61/325825161.db2.gz KMHUXQKSPHSJSF-HTQZYQBOSA-N -1 3 247.320 0.122 20 0 BCADHM NC(=O)[C@H]1CC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000566059944 325988735 /nfs/dbraw/zinc/98/87/35/325988735.db2.gz JSTBCJNXMHVNAI-NKWVEPMBSA-N -1 3 235.243 0.237 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCCCF ZINC000566471002 326052539 /nfs/dbraw/zinc/05/25/39/326052539.db2.gz RTTNJXCKJDGNHO-UHFFFAOYSA-N -1 3 212.224 0.806 20 0 BCADHM COCc1nc(C(=O)[N-]c2cnns2)co1 ZINC000566653627 326071330 /nfs/dbraw/zinc/07/13/30/326071330.db2.gz FQSMBBJKGHDADF-UHFFFAOYSA-N -1 3 240.244 0.925 20 0 BCADHM C[C@@H](C(=O)Nc1nnn[n-]1)N1[C@H](C)CC[C@@H]1C ZINC000153776912 326112632 /nfs/dbraw/zinc/11/26/32/326112632.db2.gz VUCIHAQQACBNSW-RNJXMRFFSA-N -1 3 238.295 0.400 20 0 BCADHM C[C@@H](C(=O)Nc1nn[n-]n1)N1[C@H](C)CC[C@@H]1C ZINC000153776912 326112635 /nfs/dbraw/zinc/11/26/35/326112635.db2.gz VUCIHAQQACBNSW-RNJXMRFFSA-N -1 3 238.295 0.400 20 0 BCADHM CCCNC(=O)CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567858092 326272037 /nfs/dbraw/zinc/27/20/37/326272037.db2.gz VCMAQDHILLDMKD-NXEZZACHSA-N -1 3 242.319 0.555 20 0 BCADHM COc1ncc(CN(C)[C@H](C)C(=O)[O-])c(C)n1 ZINC000567917302 326283262 /nfs/dbraw/zinc/28/32/62/326283262.db2.gz FFJBHVVHAFGZIA-MRVPVSSYSA-N -1 3 239.275 0.699 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C1=C(C)CCC1 ZINC000568959624 326383751 /nfs/dbraw/zinc/38/37/51/326383751.db2.gz VVQFLUGDPIAIMD-UHFFFAOYSA-N -1 3 249.274 0.603 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C1=C(C)CCC1 ZINC000568959624 326383753 /nfs/dbraw/zinc/38/37/53/326383753.db2.gz VVQFLUGDPIAIMD-UHFFFAOYSA-N -1 3 249.274 0.603 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C1=C(C)CCC1 ZINC000568959624 326383754 /nfs/dbraw/zinc/38/37/54/326383754.db2.gz VVQFLUGDPIAIMD-UHFFFAOYSA-N -1 3 249.274 0.603 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1C[C@@H](O)C2(CC2)C1 ZINC000573137123 326431873 /nfs/dbraw/zinc/43/18/73/326431873.db2.gz FKWIMAGNTRATMX-LLVKDONJSA-N -1 3 248.282 0.313 20 0 BCADHM CSCCC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000573201562 326434746 /nfs/dbraw/zinc/43/47/46/326434746.db2.gz BSWRHBWJRMVMFC-UHFFFAOYSA-N -1 3 249.361 0.452 20 0 BCADHM O=C1NCCCC[C@@H]1Sc1n[n-]c(CO)n1 ZINC000682563985 487990170 /nfs/dbraw/zinc/99/01/70/487990170.db2.gz FJHAICSKRXLERT-LURJTMIESA-N -1 3 242.304 0.058 20 0 BCADHM CC[C@@H](C)[C@H](N)C(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000044624926 488028345 /nfs/dbraw/zinc/02/83/45/488028345.db2.gz PNQGVNXAKLWQOT-HLTSFMKQSA-N -1 3 230.308 0.681 20 0 BCADHM CS(=O)(=O)[N-]c1ccc(-n2cncn2)cn1 ZINC000682901061 488062436 /nfs/dbraw/zinc/06/24/36/488062436.db2.gz WJSOIHQHJMTMMJ-UHFFFAOYSA-N -1 3 239.260 0.034 20 0 BCADHM Cn1c(=O)[n-]nc1SCCC1(O)CCC1 ZINC000396913325 488065345 /nfs/dbraw/zinc/06/53/45/488065345.db2.gz LNUDVIKKHJARJC-UHFFFAOYSA-N -1 3 229.305 0.918 20 0 BCADHM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(C)C1 ZINC000258678930 488125985 /nfs/dbraw/zinc/12/59/85/488125985.db2.gz DFCKMDIBEJDQFU-NXEZZACHSA-N -1 3 242.319 0.554 20 0 BCADHM CC1C[C@H]2CC[C@@H](C1)N2CC(=O)NCC(=O)[O-] ZINC000662230313 487475488 /nfs/dbraw/zinc/47/54/88/487475488.db2.gz VXQBFNCNCMEMHO-PBINXNQUSA-N -1 3 240.303 0.450 20 0 BCADHM CC(C)CN(CC(N)=O)Cc1ncccc1[O-] ZINC000685410723 487517296 /nfs/dbraw/zinc/51/72/96/487517296.db2.gz GFGUEYNRLAPQGN-UHFFFAOYSA-N -1 3 237.303 0.731 20 0 BCADHM NC(=O)[C@H]1C[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000652800538 487993820 /nfs/dbraw/zinc/99/38/20/487993820.db2.gz SUZDFSAYUGMWKR-DTORHVGOSA-N -1 3 234.255 0.386 20 0 BCADHM CC[C@@H](C(=O)[O-])N1CCN(C(C)(C)CO)CC1 ZINC000682853851 488054072 /nfs/dbraw/zinc/05/40/72/488054072.db2.gz XRMBOMPOFPDDSM-JTQLQIEISA-N -1 3 244.335 0.238 20 0 BCADHM COc1nc(NC(=O)c2nccs2)n[n-]1 ZINC000683631582 488204134 /nfs/dbraw/zinc/20/41/34/488204134.db2.gz UGJRQEBTISHOFK-UHFFFAOYSA-N -1 3 225.233 0.522 20 0 BCADHM NC(=O)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000673412467 488285435 /nfs/dbraw/zinc/28/54/35/488285435.db2.gz DTFBRZFEIXQOIO-SECBINFHSA-N -1 3 248.282 0.730 20 0 BCADHM CCN(CC)CC(=O)N(C)Cc1n[n-]c(=O)o1 ZINC000673479699 488289293 /nfs/dbraw/zinc/28/92/93/488289293.db2.gz UVOFKJPMTXVXEU-UHFFFAOYSA-N -1 3 242.279 0.075 20 0 BCADHM Cc1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)o1 ZINC000673545876 488294993 /nfs/dbraw/zinc/29/49/93/488294993.db2.gz HBPVVLFTPFVJMR-UHFFFAOYSA-N -1 3 249.270 0.974 20 0 BCADHM Cc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)[nH]n1 ZINC000673545385 488295315 /nfs/dbraw/zinc/29/53/15/488295315.db2.gz RTWYHYFIAUGESN-UHFFFAOYSA-N -1 3 249.274 0.104 20 0 BCADHM CC1(C(=O)NCCCc2cc(=O)[nH][n-]2)CCC1 ZINC000673543923 488295442 /nfs/dbraw/zinc/29/54/42/488295442.db2.gz LGOBGUPGEJZIIE-UHFFFAOYSA-N -1 3 237.303 0.949 20 0 BCADHM CCn1nccc1C(=O)NCc1ncccc1[O-] ZINC000684351222 488298485 /nfs/dbraw/zinc/29/84/85/488298485.db2.gz XGFPXRGFAICBHL-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM O=C(NCc1ncccc1[O-])c1cocn1 ZINC000684351017 488298535 /nfs/dbraw/zinc/29/85/35/488298535.db2.gz NGMCLAPJCZDAPU-UHFFFAOYSA-N -1 3 219.200 0.705 20 0 BCADHM COC[C@@H](C)S(=O)(=O)[N-]C(C)(C)C(F)F ZINC000684597016 488330650 /nfs/dbraw/zinc/33/06/50/488330650.db2.gz BEIYEOXITFBWIY-ZCFIWIBFSA-N -1 3 245.291 0.984 20 0 BCADHM CC1([N-]S(=O)(=O)c2c[nH]cn2)CC=CC1 ZINC000655628224 490363385 /nfs/dbraw/zinc/36/33/85/490363385.db2.gz WNJRXCSDIDOTPR-UHFFFAOYSA-N -1 3 227.289 0.797 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1cc[nH]n1 ZINC000131056394 490471915 /nfs/dbraw/zinc/47/19/15/490471915.db2.gz PDYIQTHPBYUJSD-UHFFFAOYSA-N -1 3 249.230 0.101 20 0 BCADHM O=S(=O)([N-]C1(CO)CC1)c1cncc(F)c1 ZINC000126648151 490510153 /nfs/dbraw/zinc/51/01/53/490510153.db2.gz RLNRCXNITCSQCS-UHFFFAOYSA-N -1 3 246.263 0.024 20 0 BCADHM CN(C)S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000306571708 490643252 /nfs/dbraw/zinc/64/32/52/490643252.db2.gz AMFSUONUZWSOEO-LURJTMIESA-N -1 3 228.264 0.570 20 0 BCADHM Cc1nccc(NCCCc2c[n-][nH]c2=O)n1 ZINC000631362284 491108580 /nfs/dbraw/zinc/10/85/80/491108580.db2.gz SSFGVXFCVDIUAZ-SECBINFHSA-N -1 3 233.275 0.709 20 0 BCADHM O=C([N-]OC1CCCCC1)[C@H]1CCC(=O)NC1 ZINC000779319642 582666053 /nfs/dbraw/zinc/66/60/53/582666053.db2.gz COSGAWUKJQCMKN-VIFPVBQESA-N -1 3 240.303 0.893 20 0 BCADHM CC[C@@H](C)OCC(=O)[N-]c1nnnn1CC ZINC000891340455 582667019 /nfs/dbraw/zinc/66/70/19/582667019.db2.gz PVNURYNSBZXYQX-SSDOTTSWSA-N -1 3 227.268 0.447 20 0 BCADHM COC(=O)NCC(=O)Nc1cccc([O-])c1F ZINC000494123571 534046092 /nfs/dbraw/zinc/04/60/92/534046092.db2.gz IZVMUBYTOMITGG-UHFFFAOYSA-N -1 3 242.206 0.826 20 0 BCADHM COC(=O)NCCCC(=O)[N-]OC1CCC1 ZINC000496239098 534098956 /nfs/dbraw/zinc/09/89/56/534098956.db2.gz NZWXNOXQTJCOOE-UHFFFAOYSA-N -1 3 230.264 0.723 20 0 BCADHM C[C@@H]1OC(=O)N[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000496568487 534137199 /nfs/dbraw/zinc/13/71/99/534137199.db2.gz HGPILUVOMSJBSK-FSPLSTOPSA-N -1 3 237.215 0.223 20 0 BCADHM NC(=O)[N-]C(=O)OCCCN1CCC[C@@H]1CF ZINC000495664458 534384341 /nfs/dbraw/zinc/38/43/41/534384341.db2.gz LRMJTLZMVDJNHE-MRVPVSSYSA-N -1 3 247.270 0.615 20 0 BCADHM O=C(OC[C@H]1CNC(=O)O1)c1cncc([O-])c1 ZINC000495780496 534563126 /nfs/dbraw/zinc/56/31/26/534563126.db2.gz ALBSCXRDWHSCTR-MRVPVSSYSA-N -1 3 238.199 0.052 20 0 BCADHM O=C(C=Cc1c[nH]cn1)NCc1ncccc1[O-] ZINC000492815471 534803322 /nfs/dbraw/zinc/80/33/22/534803322.db2.gz XDJXVBKZLGWDCD-ARJAWSKDSA-N -1 3 244.254 0.840 20 0 BCADHM CC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC000494052651 526817766 /nfs/dbraw/zinc/81/77/66/526817766.db2.gz NEFWHXWFRBJPKE-SSDOTTSWSA-N -1 3 232.280 0.967 20 0 BCADHM CCCO[N-]C(=O)CCCN(C)C(=O)OC ZINC000496279119 528601095 /nfs/dbraw/zinc/60/10/95/528601095.db2.gz ZQLBXERUWUAOAS-UHFFFAOYSA-N -1 3 232.280 0.923 20 0 BCADHM CCO[N-]C(=O)/C=C/c1cnc(OC)nc1 ZINC000492700017 529082466 /nfs/dbraw/zinc/08/24/66/529082466.db2.gz BGHFSYSFWMLMAU-SNAWJCMRSA-N -1 3 223.232 0.566 20 0 BCADHM CCOC([O-])=NOC[C@H]1CCNC(=O)CC1 ZINC000496043038 529085100 /nfs/dbraw/zinc/08/51/00/529085100.db2.gz IWVURXOEULTQJQ-MRVPVSSYSA-N -1 3 230.264 0.580 20 0 BCADHM CCOC(=O)[N-]OC[C@H]1CCNC(=O)CC1 ZINC000496043038 529085107 /nfs/dbraw/zinc/08/51/07/529085107.db2.gz IWVURXOEULTQJQ-MRVPVSSYSA-N -1 3 230.264 0.580 20 0 BCADHM CC(C)(C)[C@@H]1CCCN1CC(=O)NCC(=O)[O-] ZINC000262223851 535074744 /nfs/dbraw/zinc/07/47/44/535074744.db2.gz LVLYAQOWKRIPDH-VIFPVBQESA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@@H](C(=O)NCCC(=O)[O-])N(CC)CC ZINC000261596394 535409559 /nfs/dbraw/zinc/40/95/59/535409559.db2.gz YVBUXLRPBLJBPY-VIFPVBQESA-N -1 3 230.308 0.698 20 0 BCADHM CCCn1c(=O)[n-]nc1SC[C@H](O)CC ZINC000061596065 535579533 /nfs/dbraw/zinc/57/95/33/535579533.db2.gz BVIMZCXFAVCFLG-SSDOTTSWSA-N -1 3 231.321 0.844 20 0 BCADHM CNC(=O)CNCc1c(F)ccc([O-])c1F ZINC000351987293 536490841 /nfs/dbraw/zinc/49/08/41/536490841.db2.gz SVUVCVJRZLCHAW-UHFFFAOYSA-N -1 3 230.214 0.506 20 0 BCADHM COC(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000335725770 536789203 /nfs/dbraw/zinc/78/92/03/536789203.db2.gz WNWQZXNVJJJMTR-UHFFFAOYSA-N -1 3 247.247 0.984 20 0 BCADHM CC(C)(CO)CNC(=O)c1ccc(O)cc1[O-] ZINC000122080725 566273166 /nfs/dbraw/zinc/27/31/66/566273166.db2.gz WXZBQAXOEMRVMR-UHFFFAOYSA-N -1 3 239.271 0.846 20 0 BCADHM CCN(CC)C(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000223839239 583181925 /nfs/dbraw/zinc/18/19/25/583181925.db2.gz KXBJJOKMUAGMTN-UWVGGRQHSA-N -1 3 242.319 0.507 20 0 BCADHM CCCNC(=O)[C@H](C)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000111255352 588737869 /nfs/dbraw/zinc/73/78/69/588737869.db2.gz DEVDYUANSXZYAY-LPEHRKFASA-N -1 3 242.319 0.554 20 0 BCADHM CCn1ncnc1CO[N-]C(=O)C(C)(C)C ZINC000853664377 588753730 /nfs/dbraw/zinc/75/37/30/588753730.db2.gz NOOPVLCTULSDFR-UHFFFAOYSA-N -1 3 226.280 0.892 20 0 BCADHM CCn1cc(C[N-]C(=O)C(C)(F)F)nn1 ZINC000853838016 588763903 /nfs/dbraw/zinc/76/39/03/588763903.db2.gz IMVIAFFWIVRLQG-UHFFFAOYSA-N -1 3 218.207 0.569 20 0 BCADHM COCCCOCCC(=O)[N-]C1=NCCS1 ZINC000854292576 588782718 /nfs/dbraw/zinc/78/27/18/588782718.db2.gz HIDQJYZBTGUZII-UHFFFAOYSA-N -1 3 246.332 0.649 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H]1C(=O)NCC[C@@H]1C ZINC000854335898 588784621 /nfs/dbraw/zinc/78/46/21/588784621.db2.gz KBGDUUDJYPVVNB-NKWVEPMBSA-N -1 3 234.246 0.673 20 0 BCADHM CCOC(=O)CC(=O)[N-]OC1CCN(C)CC1 ZINC000854356917 588784946 /nfs/dbraw/zinc/78/49/46/588784946.db2.gz KSARZEMJTWTETN-UHFFFAOYSA-N -1 3 244.291 0.082 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@@H]2CCC=CO2)CC1 ZINC000854358230 588785213 /nfs/dbraw/zinc/78/52/13/588785213.db2.gz UHHOEIRHHBUMFB-NSHDSACASA-N -1 3 240.303 0.821 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)C(F)F ZINC000854488848 588789263 /nfs/dbraw/zinc/78/92/63/588789263.db2.gz ZBROMRXQDKOVAV-UHFFFAOYSA-N -1 3 219.191 0.024 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000854578276 588795153 /nfs/dbraw/zinc/79/51/53/588795153.db2.gz VCRPBPWCXUHNAU-MYJAWHEDSA-N -1 3 229.276 0.352 20 0 BCADHM Cc1ncoc1CNC(=O)Cc1cncc([O-])c1 ZINC000854582084 588795486 /nfs/dbraw/zinc/79/54/86/588795486.db2.gz FGIZALUAALCIJL-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM CCn1ncn([N-]C(=O)[C@@H](F)C(C)C)c1=O ZINC000854629337 588798066 /nfs/dbraw/zinc/79/80/66/588798066.db2.gz UQACQUDWTZWJQR-ZETCQYMHSA-N -1 3 230.243 0.129 20 0 BCADHM O=C([N-]OCCC1CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000854640358 588798854 /nfs/dbraw/zinc/79/88/54/588798854.db2.gz QJRPIGOPWNEECH-MYJAWHEDSA-N -1 3 211.261 0.727 20 0 BCADHM O=C(Cc1ccc(=O)[nH]c1)[N-]OCC1CC1 ZINC000854640951 588798978 /nfs/dbraw/zinc/79/89/78/588798978.db2.gz ZUQZJDVPNGESMV-UHFFFAOYSA-N -1 3 222.244 0.788 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC000854690887 588801636 /nfs/dbraw/zinc/80/16/36/588801636.db2.gz OZHUOBWAKRZUIK-NXEZZACHSA-N -1 3 244.335 0.799 20 0 BCADHM CC(C)O[N-]C(=O)[C@@H]1CCc2nccn2C1 ZINC000854753957 588805793 /nfs/dbraw/zinc/80/57/93/588805793.db2.gz IFCKCVKLZJWRRF-SECBINFHSA-N -1 3 223.276 0.902 20 0 BCADHM O=C(c1cc2n[n-]nc2cc1F)N1CCOC1 ZINC000854807444 588811618 /nfs/dbraw/zinc/81/16/18/588811618.db2.gz VIDNHCFSWGNOJZ-UHFFFAOYSA-N -1 3 236.206 0.527 20 0 BCADHM C[C@H](C(=O)[N-]OCCN(C)C)c1cncnc1 ZINC000854945746 588817989 /nfs/dbraw/zinc/81/79/89/588817989.db2.gz ZNKMXUVDJCLAAE-VIFPVBQESA-N -1 3 238.291 0.190 20 0 BCADHM C/C=C\C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000890530635 582468397 /nfs/dbraw/zinc/46/83/97/582468397.db2.gz QBVRBUSHMMHDHC-PKRMOACSSA-N -1 3 248.286 0.453 20 0 BCADHM CN1CCC(O[N-]C(=O)C2(F)CC2)CC1 ZINC000846651158 582663949 /nfs/dbraw/zinc/66/39/49/582663949.db2.gz JHBLZFDTITVSTC-UHFFFAOYSA-N -1 3 216.256 0.631 20 0 BCADHM CCn1nnnc1[N-]C(=O)Cc1ccco1 ZINC000891338983 582666921 /nfs/dbraw/zinc/66/69/21/582666921.db2.gz DOTXXGYKLKSXOU-UHFFFAOYSA-N -1 3 221.220 0.467 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H]1CC1(C)C ZINC000891339972 582667188 /nfs/dbraw/zinc/66/71/88/582667188.db2.gz MHXRNVXMMXQZJI-ZCFIWIBFSA-N -1 3 209.253 0.678 20 0 BCADHM CN(CC(=O)NC(C)(C)C)c1cc(=O)[n-]cn1 ZINC000891586576 582699920 /nfs/dbraw/zinc/69/99/20/582699920.db2.gz GCDBRWCXVVUIAA-UHFFFAOYSA-N -1 3 238.291 0.533 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@H]1CO ZINC000889129836 582825871 /nfs/dbraw/zinc/82/58/71/582825871.db2.gz KYMXAMGSEZTCKO-QMMMGPOBSA-N -1 3 232.243 0.165 20 0 BCADHM CSCCC(=O)[N-]OCCN1CCCC1=O ZINC000856036568 588858400 /nfs/dbraw/zinc/85/84/00/588858400.db2.gz CBVTUPQTRDTDFI-UHFFFAOYSA-N -1 3 246.332 0.410 20 0 BCADHM CCCCC(=O)[N-]OCCN1CCCC1=O ZINC000856037162 588858403 /nfs/dbraw/zinc/85/84/03/588858403.db2.gz HKGLRJRRRDKRSL-UHFFFAOYSA-N -1 3 228.292 0.847 20 0 BCADHM O=c1cc(NCCOC[C@@H]2CCOC2)nc[n-]1 ZINC000892443555 582888410 /nfs/dbraw/zinc/88/84/10/582888410.db2.gz ICPWBGJEMYAOMK-SECBINFHSA-N -1 3 239.275 0.647 20 0 BCADHM Cc1nc(N(C)Cc2cc[nH]n2)cc(=O)[n-]1 ZINC000892481561 582896454 /nfs/dbraw/zinc/89/64/54/582896454.db2.gz NQQSJHIVVIXFKY-UHFFFAOYSA-N -1 3 219.248 0.850 20 0 BCADHM CN(CCN1CCCC1=O)c1cc(=O)[n-]cn1 ZINC000892506534 582900833 /nfs/dbraw/zinc/90/08/33/582900833.db2.gz GOZAMWHRQASDNI-UHFFFAOYSA-N -1 3 236.275 0.241 20 0 BCADHM C[C@@H](O)C1(NC(=O)/C=C\c2cncc([O-])c2)CC1 ZINC000856128901 588861954 /nfs/dbraw/zinc/86/19/54/588861954.db2.gz OSYKWDHUFYKZCY-PKRMOACSSA-N -1 3 248.282 0.830 20 0 BCADHM Cc1nc2n(n1)CCN(c1cc(=O)[n-]c(C)n1)C2 ZINC000892786453 582982595 /nfs/dbraw/zinc/98/25/95/582982595.db2.gz QSMGZAUDFQTDRQ-UHFFFAOYSA-N -1 3 246.274 0.411 20 0 BCADHM O=C1C[C@@H](Nc2cc(=O)[n-]cn2)CN1C1CC1 ZINC000892799513 582985842 /nfs/dbraw/zinc/98/58/42/582985842.db2.gz DQKCLTQTNKJLOV-SSDOTTSWSA-N -1 3 234.259 0.357 20 0 BCADHM Cc1nc(N2CCN(C3CC3)C(=O)C2)cc(=O)[n-]1 ZINC000892806439 582987394 /nfs/dbraw/zinc/98/73/94/582987394.db2.gz GTSUYUJUTNQGOT-UHFFFAOYSA-N -1 3 248.286 0.302 20 0 BCADHM Cc1nc(N(C)C2CC(O)C2)cc(=O)[n-]1 ZINC000893166749 583062055 /nfs/dbraw/zinc/06/20/55/583062055.db2.gz FCODEVKQOADSEG-UHFFFAOYSA-N -1 3 209.249 0.450 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NN1CCCC1 ZINC000854328205 583084194 /nfs/dbraw/zinc/08/41/94/583084194.db2.gz PUPAXDJMITZWKF-ARJAWSKDSA-N -1 3 233.271 0.927 20 0 BCADHM COC[C@H]1CN(c2cc(=O)[n-]cn2)C[C@@H](C)O1 ZINC000893389322 583134356 /nfs/dbraw/zinc/13/43/56/583134356.db2.gz UDLOGCCDMAALGC-RKDXNWHRSA-N -1 3 239.275 0.422 20 0 BCADHM COC[C@@H]1CN(c2cc(=O)[n-]cn2)C[C@H](C)O1 ZINC000893389321 583134371 /nfs/dbraw/zinc/13/43/71/583134371.db2.gz UDLOGCCDMAALGC-IUCAKERBSA-N -1 3 239.275 0.422 20 0 BCADHM C[C@H]1CN(c2cc(=O)[n-]cn2)C[C@H](C)S1=O ZINC000893454910 583145983 /nfs/dbraw/zinc/14/59/83/583145983.db2.gz YJXJHRVDYMDJEG-YUMQZZPRSA-N -1 3 241.316 0.528 20 0 BCADHM O=c1cc(N2CC[C@@](F)(CO)C2)nc[n-]1 ZINC000893727663 583215650 /nfs/dbraw/zinc/21/56/50/583215650.db2.gz KUUANEQZRHQIDW-VIFPVBQESA-N -1 3 213.212 0.093 20 0 BCADHM CCN1CCN(c2cc(=O)[n-]cn2)[C@H](C)C1 ZINC000893824651 583229275 /nfs/dbraw/zinc/22/92/75/583229275.db2.gz ACGJKYZITYNCIF-SECBINFHSA-N -1 3 222.292 0.713 20 0 BCADHM C[S@@](=O)CCNC(=O)c1cc(F)c[n-]c1=O ZINC000857118415 588889954 /nfs/dbraw/zinc/88/99/54/588889954.db2.gz LQPGMAMAJVPKAK-MRXNPFEDSA-N -1 3 246.263 0.035 20 0 BCADHM C[S@](=O)CCNC(=O)c1cc(F)c[n-]c1=O ZINC000857118414 588890253 /nfs/dbraw/zinc/89/02/53/588890253.db2.gz LQPGMAMAJVPKAK-INIZCTEOSA-N -1 3 246.263 0.035 20 0 BCADHM C[C@H](Cc1cnn(C)c1)Nc1cc(=O)[n-]cn1 ZINC000894098571 583303481 /nfs/dbraw/zinc/30/34/81/583303481.db2.gz ITDSFRWNWDQXCR-MRVPVSSYSA-N -1 3 233.275 0.959 20 0 BCADHM Cc1nc(N[C@H](CO)c2ccnn2C)cc(=O)[n-]1 ZINC000894160818 583321937 /nfs/dbraw/zinc/32/19/37/583321937.db2.gz CYEBBMDAWOXKJV-MRVPVSSYSA-N -1 3 249.274 0.370 20 0 BCADHM Cc1nc(N2CCO[C@H](CF)C2)cc(=O)[n-]1 ZINC000894181739 583330809 /nfs/dbraw/zinc/33/08/09/583330809.db2.gz QAAQTNKCZDVECG-MRVPVSSYSA-N -1 3 227.239 0.665 20 0 BCADHM Cc1nc(N2CCO[C@H]([C@H](C)O)C2)cc(=O)[n-]1 ZINC000894225543 583383515 /nfs/dbraw/zinc/38/35/15/583383515.db2.gz XUAZDTZAEFZHRK-CBAPKCEASA-N -1 3 239.275 0.077 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CC[C@@H]1CCOC1 ZINC000857284655 588903034 /nfs/dbraw/zinc/90/30/34/588903034.db2.gz QBMBFYBXONIEAE-SECBINFHSA-N -1 3 231.292 0.622 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000857284221 588903091 /nfs/dbraw/zinc/90/30/91/588903091.db2.gz BVNBNLQHPOEJLJ-GZMMTYOYSA-N -1 3 229.276 0.232 20 0 BCADHM COC[C@H]1C[C@@H](O)CN1c1cc(=O)[n-]c(C)n1 ZINC000894389934 583446138 /nfs/dbraw/zinc/44/61/38/583446138.db2.gz WRZFVAQUSLNFPM-RKDXNWHRSA-N -1 3 239.275 0.077 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CCOC[C@H]1C ZINC000857286036 588904048 /nfs/dbraw/zinc/90/40/48/588904048.db2.gz QLGBIWZASUTOCY-MXWKQRLJSA-N -1 3 245.319 0.724 20 0 BCADHM CSCCO[N-]C(=O)c1cc[nH]c(=O)c1 ZINC000794193055 583595046 /nfs/dbraw/zinc/59/50/46/583595046.db2.gz VOQBRWMJAXCYQD-UHFFFAOYSA-N -1 3 228.273 0.812 20 0 BCADHM CCO[N-]C(=O)CN[C@H]1CCc2cccnc21 ZINC000895148370 583605578 /nfs/dbraw/zinc/60/55/78/583605578.db2.gz GNGXKYJTEJVZRY-JTQLQIEISA-N -1 3 235.287 0.726 20 0 BCADHM CO[C@@H](C)C(=O)N[N-]C(=O)c1ccoc1 ZINC000142716516 583617780 /nfs/dbraw/zinc/61/77/80/583617780.db2.gz PXHKRIZWRFATCO-LURJTMIESA-N -1 3 212.205 0.076 20 0 BCADHM CCn1cnc2c1CCN(c1cc(=O)[n-]cn1)C2 ZINC000896654795 583821478 /nfs/dbraw/zinc/82/14/78/583821478.db2.gz SXRMEZBXTANTFC-UHFFFAOYSA-N -1 3 245.286 0.961 20 0 BCADHM CO[N-]C(=O)CN[C@@H]1CCc2cccnc21 ZINC000896924850 583857364 /nfs/dbraw/zinc/85/73/64/583857364.db2.gz PMJAITQOELGEIB-SECBINFHSA-N -1 3 221.260 0.336 20 0 BCADHM CO[N-]C(=O)CN[C@@H](C)[C@H]1CC1(F)F ZINC000896924436 583857805 /nfs/dbraw/zinc/85/78/05/583857805.db2.gz MOIKHACKRZRFRE-NTSWFWBYSA-N -1 3 208.208 0.297 20 0 BCADHM CO[N-]C(=O)CNCc1cnn(C)c1C1CC1 ZINC000896923820 583858493 /nfs/dbraw/zinc/85/84/93/583858493.db2.gz IVXYSNFQLMHMJZ-UHFFFAOYSA-N -1 3 238.291 0.065 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)c1-2 ZINC000897077496 583878771 /nfs/dbraw/zinc/87/87/71/583878771.db2.gz IKFDHPZHDGBZNH-JSKNTUGKSA-N -1 3 243.270 0.314 20 0 BCADHM OC1CC2(C[C@H]2N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000897094073 583879419 /nfs/dbraw/zinc/87/94/19/583879419.db2.gz QQDYLWVCILFTGT-NUQKGASQSA-N -1 3 231.259 0.052 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC000858262155 588940267 /nfs/dbraw/zinc/94/02/67/588940267.db2.gz IMHZXNYXESVYQE-SECBINFHSA-N -1 3 223.276 0.822 20 0 BCADHM O=c1cc(N2CC[C@@H](O)[C@H](F)C2)nc[n-]1 ZINC000897378111 583946975 /nfs/dbraw/zinc/94/69/75/583946975.db2.gz BIDRSKVAQXDTMG-RNFRBKRXSA-N -1 3 213.212 0.091 20 0 BCADHM O=c1cc(NCc2cnc3n2CCOC3)nc[n-]1 ZINC000897408527 583958022 /nfs/dbraw/zinc/95/80/22/583958022.db2.gz ISZAGKCMIDVWIM-UHFFFAOYSA-N -1 3 247.258 0.521 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C2CC=CC2)nn1 ZINC000866958360 583971961 /nfs/dbraw/zinc/97/19/61/583971961.db2.gz QQCXBFDCZQADLR-UHFFFAOYSA-N -1 3 239.300 0.782 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H]1CO ZINC000889154136 583973761 /nfs/dbraw/zinc/97/37/61/583973761.db2.gz BOHDDICKNQSSQB-VIFPVBQESA-N -1 3 239.246 0.667 20 0 BCADHM CN(C)C[C@@H](O)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858344400 588947879 /nfs/dbraw/zinc/94/78/79/588947879.db2.gz ZNAKGKIHYDWUHN-LURJTMIESA-N -1 3 246.698 0.170 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1CCN1C(C)(C)C ZINC000897588226 584023317 /nfs/dbraw/zinc/02/33/17/584023317.db2.gz VLRRRPWRIBGNHT-SECBINFHSA-N -1 3 244.335 0.678 20 0 BCADHM CC(=O)Oc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000729801644 584025976 /nfs/dbraw/zinc/02/59/76/584025976.db2.gz MNWZIJBPJQDZCQ-SNVBAGLBSA-N -1 3 248.238 0.362 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CC1CSC1 ZINC000897786943 584047964 /nfs/dbraw/zinc/04/79/64/584047964.db2.gz YDXXFDFANLWZAG-UHFFFAOYSA-N -1 3 247.316 0.741 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]OC/C=C\Cl ZINC000897805581 584049824 /nfs/dbraw/zinc/04/98/24/584049824.db2.gz JEEYUWHZCCRXPZ-QIUOEGRZSA-N -1 3 218.684 0.881 20 0 BCADHM CO[C@]1(C(=O)[N-]OCCN(C)C)CCSC1 ZINC000897877757 584057445 /nfs/dbraw/zinc/05/74/45/584057445.db2.gz STLFTJKJXBNVAV-SNVBAGLBSA-N -1 3 248.348 0.118 20 0 BCADHM COC(OC)C(=O)Nc1cccc2n[n-]nc21 ZINC000897896875 584058381 /nfs/dbraw/zinc/05/83/81/584058381.db2.gz CDZRSKFQLYBQDX-UHFFFAOYSA-N -1 3 236.231 0.515 20 0 BCADHM Cc1cccc(CN2CC3(C2)NC(=O)[N-]C3=O)c1 ZINC000897907603 584059990 /nfs/dbraw/zinc/05/99/90/584059990.db2.gz JEAAGECPPDBZHI-UHFFFAOYSA-N -1 3 245.282 0.389 20 0 BCADHM CSCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205076 584091151 /nfs/dbraw/zinc/09/11/51/584091151.db2.gz JFUOEHAENSUHAJ-ZETCQYMHSA-N -1 3 241.316 0.794 20 0 BCADHM CO[C@H](C)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898210928 584092420 /nfs/dbraw/zinc/09/24/20/584092420.db2.gz KSKSOVUQKSODKW-HTQZYQBOSA-N -1 3 239.275 0.466 20 0 BCADHM O=c1nc(NCCN2CCC2)cc(Cl)[n-]1 ZINC000858455756 588956552 /nfs/dbraw/zinc/95/65/52/588956552.db2.gz UOSLQRAVQJFAIG-UHFFFAOYSA-N -1 3 228.683 0.953 20 0 BCADHM Cc1cc(=O)[n-]c(CNC(=O)C(C)(C)F)n1 ZINC000898261225 584103238 /nfs/dbraw/zinc/10/32/38/584103238.db2.gz FNIAYBQESPTARL-UHFFFAOYSA-N -1 3 227.239 0.855 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC(N2CCCC2)C1 ZINC000898597088 584144313 /nfs/dbraw/zinc/14/43/13/584144313.db2.gz CRILNYFUTKKLJS-UHFFFAOYSA-N -1 3 248.286 0.102 20 0 BCADHM CC(C)=CC(=O)NCCCc1c[n-][nH]c1=O ZINC000898729098 584155612 /nfs/dbraw/zinc/15/56/12/584155612.db2.gz CQZWMLUZTMYGLB-VIFPVBQESA-N -1 3 223.276 0.581 20 0 BCADHM CCCOCC(=O)NCCCc1c[n-][nH]c1=O ZINC000898733567 584156041 /nfs/dbraw/zinc/15/60/41/584156041.db2.gz HTOSICMTCIJGSI-VIFPVBQESA-N -1 3 241.291 0.041 20 0 BCADHM CS[C@H](C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898729137 584156184 /nfs/dbraw/zinc/15/61/84/584156184.db2.gz DLMDYZMTMWDGTI-SFYZADRCSA-N -1 3 243.332 0.366 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC1=NCC(=O)N1C ZINC000898771868 584158115 /nfs/dbraw/zinc/15/81/15/584158115.db2.gz RMWJQYJIEBOFAR-UHFFFAOYSA-N -1 3 247.254 0.258 20 0 BCADHM Cn1cncc1[C@H](CO)[N-]C(=O)C(C)(F)F ZINC000898891747 584164722 /nfs/dbraw/zinc/16/47/22/584164722.db2.gz LAHHOQWPZMXSET-LURJTMIESA-N -1 3 233.218 0.225 20 0 BCADHM C[C@@H](CO)n1[n-]cc2c(=O)cccc-2c1=O ZINC000899353520 584200267 /nfs/dbraw/zinc/20/02/67/584200267.db2.gz PPHSVAPGBHZWHI-ZETCQYMHSA-N -1 3 220.228 0.655 20 0 BCADHM C[C@@H](CO)n1ncc2c([O-])cccc2c1=O ZINC000899353520 584200268 /nfs/dbraw/zinc/20/02/68/584200268.db2.gz PPHSVAPGBHZWHI-ZETCQYMHSA-N -1 3 220.228 0.655 20 0 BCADHM COCCn1[n-]cc2c(=O)cccc-2c1=O ZINC000899349143 584202411 /nfs/dbraw/zinc/20/24/11/584202411.db2.gz VSXXPKOJQQKFIM-UHFFFAOYSA-N -1 3 220.228 0.749 20 0 BCADHM COCCn1ncc2c([O-])cccc2c1=O ZINC000899349143 584202412 /nfs/dbraw/zinc/20/24/12/584202412.db2.gz VSXXPKOJQQKFIM-UHFFFAOYSA-N -1 3 220.228 0.749 20 0 BCADHM Cn1cnc(C(=O)[N-]c2noc3c2CCCC3)n1 ZINC000900786821 584351707 /nfs/dbraw/zinc/35/17/07/584351707.db2.gz DVYDBTQLIHBXGX-UHFFFAOYSA-N -1 3 247.258 0.934 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCF ZINC000900991909 584374172 /nfs/dbraw/zinc/37/41/72/584374172.db2.gz PHBAYOVEOWVALM-UHFFFAOYSA-N -1 3 215.184 0.494 20 0 BCADHM CCNCC(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000901033134 584375742 /nfs/dbraw/zinc/37/57/42/584375742.db2.gz ZFZBHRIHHHTQCW-UHFFFAOYSA-N -1 3 248.329 0.163 20 0 BCADHM NCCS(=O)(=O)[N-]C(=O)C[C@H]1CC=CCC1 ZINC000901099464 584380911 /nfs/dbraw/zinc/38/09/11/584380911.db2.gz RSPBJANWWNJJME-VIFPVBQESA-N -1 3 246.332 0.138 20 0 BCADHM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCN ZINC000901096165 584384757 /nfs/dbraw/zinc/38/47/57/584384757.db2.gz MSLKIXBPUYAABL-IUCAKERBSA-N -1 3 248.348 0.217 20 0 BCADHM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)CCN ZINC000901097915 584385395 /nfs/dbraw/zinc/38/53/95/584385395.db2.gz HTBSLDVFIPQJSU-MRVPVSSYSA-N -1 3 236.337 0.217 20 0 BCADHM Cn1ncc(C(=O)[N-]C2=NCCS2)c1Cl ZINC000901154575 584391984 /nfs/dbraw/zinc/39/19/84/584391984.db2.gz OMFPLWAMLLZEPY-UHFFFAOYSA-N -1 3 244.707 0.906 20 0 BCADHM COC[C@]1(C(=O)[N-]C2=NCCS2)CCOC1 ZINC000901155408 584392402 /nfs/dbraw/zinc/39/24/02/584392402.db2.gz UUVHSCMTOAEFHA-SNVBAGLBSA-N -1 3 244.316 0.259 20 0 BCADHM C[C@@H](NC(=O)CN(C)CC(C)(C)C)C(=O)[O-] ZINC000901430471 584444174 /nfs/dbraw/zinc/44/41/74/584444174.db2.gz LNCKLELXAWKTQL-MRVPVSSYSA-N -1 3 230.308 0.554 20 0 BCADHM CC[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])N(C)C ZINC000901495530 584453365 /nfs/dbraw/zinc/45/33/65/584453365.db2.gz JOZTZWODAQQMKO-ZJUUUORDSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H](C(=O)N([C@H](C)C(=O)[O-])C1CC1)N(C)C ZINC000901639572 584473147 /nfs/dbraw/zinc/47/31/47/584473147.db2.gz FMBHGZFHNPMZQL-SCZZXKLOSA-N -1 3 242.319 0.791 20 0 BCADHM C[C@@](CCF)(NCc1cncnc1)C(=O)[O-] ZINC000901916097 584503868 /nfs/dbraw/zinc/50/38/68/584503868.db2.gz RWPCHIQEKHEQKT-JTQLQIEISA-N -1 3 227.239 0.769 20 0 BCADHM C[C@@](CCF)(NCc1cc[nH]n1)C(=O)[O-] ZINC000901919693 584504062 /nfs/dbraw/zinc/50/40/62/584504062.db2.gz RWOJGDUYYFOAJR-VIFPVBQESA-N -1 3 215.228 0.702 20 0 BCADHM CC[C@@H](C(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-])N(C)C ZINC000901992539 584510291 /nfs/dbraw/zinc/51/02/91/584510291.db2.gz IWRRFQZGYDQSFP-GUBZILKMSA-N -1 3 242.319 0.791 20 0 BCADHM CC[C@H](C(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-])N(C)C ZINC000901992537 584510440 /nfs/dbraw/zinc/51/04/40/584510440.db2.gz IWRRFQZGYDQSFP-AEJSXWLSSA-N -1 3 242.319 0.791 20 0 BCADHM Cn1nc2c(c1C[N-]c1nnco1)CCC2 ZINC000902076912 584520420 /nfs/dbraw/zinc/52/04/20/584520420.db2.gz CIZIYTKRDYEHFE-UHFFFAOYSA-N -1 3 219.248 0.904 20 0 BCADHM Cn1c(=O)[n-]nc1SCC[C@H]1CCNC1=O ZINC000902201645 584537411 /nfs/dbraw/zinc/53/74/11/584537411.db2.gz LSFVCLDEKRWYGC-ZCFIWIBFSA-N -1 3 242.304 0.139 20 0 BCADHM CCNc1ccccc1CNCC(=O)[N-]OC ZINC000902657360 584650475 /nfs/dbraw/zinc/65/04/75/584650475.db2.gz XFDHWDOMPRKEFS-UHFFFAOYSA-N -1 3 237.303 0.886 20 0 BCADHM CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)N(C)C ZINC000902660826 584650796 /nfs/dbraw/zinc/65/07/96/584650796.db2.gz BVHHDDTUHHZLRA-GUBZILKMSA-N -1 3 242.319 0.552 20 0 BCADHM CCn1cc(CO[N-]C(=O)C(C)(C)C)nn1 ZINC000902703941 584658711 /nfs/dbraw/zinc/65/87/11/584658711.db2.gz GZRWRNFDPQNMJK-UHFFFAOYSA-N -1 3 226.280 0.892 20 0 BCADHM CC(=O)[N-]OCC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000902703780 584658790 /nfs/dbraw/zinc/65/87/90/584658790.db2.gz ZWHSBJRXWQCEQA-QMMMGPOBSA-N -1 3 244.291 0.080 20 0 BCADHM CC[C@@H](CNC(=O)CN(CC)CC)C(=O)[O-] ZINC000902848661 584681912 /nfs/dbraw/zinc/68/19/12/584681912.db2.gz VIQBAEIPGNWJDH-VIFPVBQESA-N -1 3 230.308 0.555 20 0 BCADHM CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C(=O)[O-] ZINC000902849815 584681814 /nfs/dbraw/zinc/68/18/14/584681814.db2.gz YPXVEJLEAPVWAY-ZJUUUORDSA-N -1 3 244.335 0.800 20 0 BCADHM CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(=O)[O-] ZINC000902849812 584681943 /nfs/dbraw/zinc/68/19/43/584681943.db2.gz YPXVEJLEAPVWAY-NXEZZACHSA-N -1 3 244.335 0.800 20 0 BCADHM O=C([O-])[C@@H]1COCCN1C[C@H]1C[C@]12CCOC2 ZINC000903405814 584758220 /nfs/dbraw/zinc/75/82/20/584758220.db2.gz XDMXUEYUIDERMA-SCVCMEIPSA-N -1 3 241.287 0.198 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CCCON)o1 ZINC000903526941 584781484 /nfs/dbraw/zinc/78/14/84/584781484.db2.gz OQBAOGCHLPZTRA-UHFFFAOYSA-N -1 3 234.277 0.147 20 0 BCADHM CC(C)C[C@H](C(=O)[O-])N1CC[C@@H](O)[C@H](F)C1 ZINC000903712125 584793000 /nfs/dbraw/zinc/79/30/00/584793000.db2.gz FLVIEZPPSVLRPC-OPRDCNLKSA-N -1 3 233.283 0.890 20 0 BCADHM O=C([O-])[C@]1(NCc2cccnc2)CCOC1 ZINC000904010216 584837734 /nfs/dbraw/zinc/83/77/34/584837734.db2.gz SKWAIJSHYZQWNF-NSHDSACASA-N -1 3 222.244 0.415 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000904189249 584848130 /nfs/dbraw/zinc/84/81/30/584848130.db2.gz GQNXGUAVHDBMCU-WCNIORAXSA-N -1 3 233.275 0.441 20 0 BCADHM Cc1ccc(F)c(CC(=O)[N-]c2nnnn2C)c1 ZINC000904190998 584848680 /nfs/dbraw/zinc/84/86/80/584848680.db2.gz GJSNDMNWOSMZCR-UHFFFAOYSA-N -1 3 249.249 0.839 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000904189376 584848985 /nfs/dbraw/zinc/84/89/85/584848985.db2.gz KXNPCRGJOIJTNU-AYMMMOKOSA-N -1 3 235.291 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@]1(C)CC1(F)F ZINC000904192073 584849394 /nfs/dbraw/zinc/84/93/94/584849394.db2.gz YRZRZRLWQUNNEI-ZCFIWIBFSA-N -1 3 217.179 0.194 20 0 BCADHM C[C@H]1CCCC[C@H]1C(=O)[N-]c1nnnn1C ZINC000904191854 584849431 /nfs/dbraw/zinc/84/94/31/584849431.db2.gz QODIKNVFKAIJOB-JGVFFNPUSA-N -1 3 223.280 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)COCC1CCCC1 ZINC000904192025 584849532 /nfs/dbraw/zinc/84/95/32/584849532.db2.gz XGBUWDIFZXQPMN-UHFFFAOYSA-N -1 3 239.279 0.355 20 0 BCADHM C[C@@H]1CC/C(=C/C(=O)[N-]c2nnnn2C)C1 ZINC000904194972 584850052 /nfs/dbraw/zinc/85/00/52/584850052.db2.gz PIZHJBZSRPARBD-QHRPWQPMSA-N -1 3 221.264 0.895 20 0 BCADHM C[C@H]1CC[C@@H](C(=O)[N-]c2nnnn2C)C1 ZINC000904194937 584850108 /nfs/dbraw/zinc/85/01/08/584850108.db2.gz HIVBSDNLPHZTIZ-NKWVEPMBSA-N -1 3 209.253 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCC1CCC1 ZINC000904196015 584850799 /nfs/dbraw/zinc/85/07/99/584850799.db2.gz ZSZROVPNOFSEDZ-UHFFFAOYSA-N -1 3 209.253 0.729 20 0 BCADHM CSC[C@@H](C)C(=O)[N-]c1nnnn1C ZINC000904200770 584851044 /nfs/dbraw/zinc/85/10/44/584851044.db2.gz WTSOZZSYRVOQRO-RXMQYKEDSA-N -1 3 215.282 0.148 20 0 BCADHM CC(C)CCO[C@@H](C)C(=O)[N-]c1nnnn1C ZINC000904199778 584851222 /nfs/dbraw/zinc/85/12/22/584851222.db2.gz MIRMIUXHTJTXTQ-QMMMGPOBSA-N -1 3 241.295 0.600 20 0 BCADHM C[C@@H]1CC[C@H](CCC(=O)[N-]c2nnnn2C)O1 ZINC000904198876 584851226 /nfs/dbraw/zinc/85/12/26/584851226.db2.gz KTWPQFXJGMWPRS-HTQZYQBOSA-N -1 3 239.279 0.496 20 0 BCADHM CCNC(=O)[C@@H](N[C@H](C)C(=O)[O-])C(C)C ZINC000904242499 584858056 /nfs/dbraw/zinc/85/80/56/584858056.db2.gz NRFLZSIVRCVHNO-SFYZADRCSA-N -1 3 216.281 0.210 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N1CCNC(C)(C)C1 ZINC000827262998 584897906 /nfs/dbraw/zinc/89/79/06/584897906.db2.gz MTXQKZICOBDQNF-QMMMGPOBSA-N -1 3 228.292 0.308 20 0 BCADHM O=C([O-])NCCN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000832642046 584911831 /nfs/dbraw/zinc/91/18/31/584911831.db2.gz SYHFZJOLQNCKDE-PWSUYJOCSA-N -1 3 242.319 0.881 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CCOCC1CC1 ZINC000836892503 584937324 /nfs/dbraw/zinc/93/73/24/584937324.db2.gz RGNCOYKBPDGNTH-LLVKDONJSA-N -1 3 245.319 0.868 20 0 BCADHM CN(C(=O)CO[N-]C(=O)C(C)(C)C)C1CC1 ZINC000732805764 584941330 /nfs/dbraw/zinc/94/13/30/584941330.db2.gz IQMCPOWELJOLEW-UHFFFAOYSA-N -1 3 228.292 0.701 20 0 BCADHM CCC[C@@H](C)CS(=O)(=O)[N-][C@H]1CCOC1=O ZINC000733311694 584946709 /nfs/dbraw/zinc/94/67/09/584946709.db2.gz OSXFXKSJOPXJIC-BDAKNGLRSA-N -1 3 249.332 0.658 20 0 BCADHM CN1CC[C@H](OC(=O)c2cncc([O-])c2)C1=O ZINC000734896029 584969848 /nfs/dbraw/zinc/96/98/48/584969848.db2.gz LGFNJHOYEBTOOD-VIFPVBQESA-N -1 3 236.227 0.175 20 0 BCADHM CC(C)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735856482 584982755 /nfs/dbraw/zinc/98/27/55/584982755.db2.gz HVUJBQMOJDGWIP-UHFFFAOYSA-N -1 3 246.274 0.742 20 0 BCADHM CC(C)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735856482 584982756 /nfs/dbraw/zinc/98/27/56/584982756.db2.gz HVUJBQMOJDGWIP-UHFFFAOYSA-N -1 3 246.274 0.742 20 0 BCADHM C[C@@H](CCO)Nc1ncccc1-c1nnn[n-]1 ZINC000735985583 584985273 /nfs/dbraw/zinc/98/52/73/584985273.db2.gz HCLTWZANIHSZLP-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](CCO)Nc1ncccc1-c1nn[n-]n1 ZINC000735985583 584985274 /nfs/dbraw/zinc/98/52/74/584985274.db2.gz HCLTWZANIHSZLP-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(C)(C)CC1 ZINC000736208281 584991725 /nfs/dbraw/zinc/99/17/25/584991725.db2.gz MFLOUEVAXDADNS-VIFPVBQESA-N -1 3 242.319 0.698 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736235520 584993058 /nfs/dbraw/zinc/99/30/58/584993058.db2.gz GACOMKVJYUBULI-HZGVNTEJSA-N -1 3 244.258 0.400 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736235520 584993059 /nfs/dbraw/zinc/99/30/59/584993059.db2.gz GACOMKVJYUBULI-HZGVNTEJSA-N -1 3 244.258 0.400 20 0 BCADHM O=C(N[C@H](CO)C1CC1)c1ccc2n[n-]nc2c1 ZINC000771027307 584994522 /nfs/dbraw/zinc/99/45/22/584994522.db2.gz CKZSIGXLDITYGZ-LLVKDONJSA-N -1 3 246.270 0.459 20 0 BCADHM CC[C@@H](C)C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736319427 584997515 /nfs/dbraw/zinc/99/75/15/584997515.db2.gz KOINFKNNOQXTHI-SSDOTTSWSA-N -1 3 246.274 0.668 20 0 BCADHM CC[C@@H](C)C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736319427 584997516 /nfs/dbraw/zinc/99/75/16/584997516.db2.gz KOINFKNNOQXTHI-SSDOTTSWSA-N -1 3 246.274 0.668 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)/C=C\[C@@H]1CCCO1 ZINC000819557769 585003678 /nfs/dbraw/zinc/00/36/78/585003678.db2.gz CXUIQAQLAYAHKM-OBOPVNRVSA-N -1 3 243.303 0.786 20 0 BCADHM CC(C)NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000736477078 585003820 /nfs/dbraw/zinc/00/38/20/585003820.db2.gz DJYUXWMKNGLZPK-VIFPVBQESA-N -1 3 242.319 0.696 20 0 BCADHM C[C@H](CN(C)CC(=O)N(C)CC1CC1)C(=O)[O-] ZINC000736572788 585006422 /nfs/dbraw/zinc/00/64/22/585006422.db2.gz RQKYXNFGJUQJMO-SECBINFHSA-N -1 3 242.319 0.507 20 0 BCADHM C[C@@H](CNC(=O)CCSCC(=O)[O-])N(C)C ZINC000736596214 585007214 /nfs/dbraw/zinc/00/72/14/585007214.db2.gz ZFIKRMVAESBQJL-QMMMGPOBSA-N -1 3 248.348 0.261 20 0 BCADHM C[C@@H]1C[C@@H](C)CN(CC(=O)NCCC(=O)[O-])C1 ZINC000736751899 585011536 /nfs/dbraw/zinc/01/15/36/585011536.db2.gz YPIWSVBLZJFHCA-NXEZZACHSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC000736783929 585014187 /nfs/dbraw/zinc/01/41/87/585014187.db2.gz ISGOJCKUZAXBMS-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM C[C@@H]1CCCN(CC(=O)NCCC(=O)[O-])C1 ZINC000736796695 585014922 /nfs/dbraw/zinc/01/49/22/585014922.db2.gz YDZAFTXFVXWYEL-SECBINFHSA-N -1 3 228.292 0.309 20 0 BCADHM CN(C)CCO[N-]C(=O)CC1(C)COC1 ZINC000820996249 585015169 /nfs/dbraw/zinc/01/51/69/585015169.db2.gz FCKDARBYQBYTJW-UHFFFAOYSA-N -1 3 216.281 0.022 20 0 BCADHM CC[C@@H](C)N(C)CC(=O)NCCC(=O)[O-] ZINC000736881868 585018730 /nfs/dbraw/zinc/01/87/30/585018730.db2.gz CNRNYDYZRYAAMH-MRVPVSSYSA-N -1 3 216.281 0.308 20 0 BCADHM CC[C@H](CN1CCCC1)NC(=O)CNC(=O)[O-] ZINC000736905907 585019283 /nfs/dbraw/zinc/01/92/83/585019283.db2.gz VDJIBYKMRCGPSP-SECBINFHSA-N -1 3 243.307 0.245 20 0 BCADHM COCCCCn1cc(-c2nnn[n-]2)cn1 ZINC000736982532 585021546 /nfs/dbraw/zinc/02/15/46/585021546.db2.gz YMYZGKMSDMFIRJ-UHFFFAOYSA-N -1 3 222.252 0.490 20 0 BCADHM COCCCCn1cc(-c2nn[n-]n2)cn1 ZINC000736982532 585021547 /nfs/dbraw/zinc/02/15/47/585021547.db2.gz YMYZGKMSDMFIRJ-UHFFFAOYSA-N -1 3 222.252 0.490 20 0 BCADHM CCCCN(C)CC(=O)NCCC(=O)[O-] ZINC000736991244 585021917 /nfs/dbraw/zinc/02/19/17/585021917.db2.gz GRJXCKCLHJSCRX-UHFFFAOYSA-N -1 3 216.281 0.309 20 0 BCADHM CC[C@@H](C)COC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000756356723 585022384 /nfs/dbraw/zinc/02/23/84/585022384.db2.gz UBQWVADVOSNLSL-SFYZADRCSA-N -1 3 242.275 0.564 20 0 BCADHM CCN(CCC(=O)[O-])C(=O)[C@H]1CCCN1C ZINC000737094178 585025695 /nfs/dbraw/zinc/02/56/95/585025695.db2.gz QOUNZRNXAUSITO-SECBINFHSA-N -1 3 228.292 0.404 20 0 BCADHM CS[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737169906 585026710 /nfs/dbraw/zinc/02/67/10/585026710.db2.gz FWSXAFZHZAFJMW-MRVPVSSYSA-N -1 3 249.299 0.756 20 0 BCADHM CS[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737169906 585026711 /nfs/dbraw/zinc/02/67/11/585026711.db2.gz FWSXAFZHZAFJMW-MRVPVSSYSA-N -1 3 249.299 0.756 20 0 BCADHM CN(CC1CCN(C)CC1)C(=O)CNC(=O)[O-] ZINC000737509888 585034476 /nfs/dbraw/zinc/03/44/76/585034476.db2.gz ZKNNXQLJVOOSLN-UHFFFAOYSA-N -1 3 243.307 0.054 20 0 BCADHM CN(CC(=O)N(C)[C@H]1CCCN(C)C1)C(=O)[O-] ZINC000737514709 585034602 /nfs/dbraw/zinc/03/46/02/585034602.db2.gz OCXPLFNGCNELKS-VIFPVBQESA-N -1 3 243.307 0.149 20 0 BCADHM O=C(Nc1ccncc1-c1nnn[n-]1)C1CC1 ZINC000738196592 585041598 /nfs/dbraw/zinc/04/15/98/585041598.db2.gz MBSUQSRIYOKKIL-UHFFFAOYSA-N -1 3 230.231 0.032 20 0 BCADHM O=C(Nc1ccncc1-c1nn[n-]n1)C1CC1 ZINC000738196592 585041599 /nfs/dbraw/zinc/04/15/99/585041599.db2.gz MBSUQSRIYOKKIL-UHFFFAOYSA-N -1 3 230.231 0.032 20 0 BCADHM COC[C@H](C)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000788116661 585069561 /nfs/dbraw/zinc/06/95/61/585069561.db2.gz QVOXSKVDOMQBKA-ZJUUUORDSA-N -1 3 231.292 0.743 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)[C@H]1C[C@]12CCOC2 ZINC000788124189 585080518 /nfs/dbraw/zinc/08/05/18/585080518.db2.gz VYWBJRZTCSCLSP-FOGDFJRCSA-N -1 3 241.287 0.497 20 0 BCADHM CCC/C(C)=C\C(=O)Nc1[n-]nnc1C(N)=O ZINC000839357146 585101890 /nfs/dbraw/zinc/10/18/90/585101890.db2.gz UNYSQMVCDNXNLJ-WAYWQWQTSA-N -1 3 237.263 0.589 20 0 BCADHM CCCC(C)=CC(=O)Nc1nn[n-]c1C(N)=O ZINC000839357146 585101891 /nfs/dbraw/zinc/10/18/91/585101891.db2.gz UNYSQMVCDNXNLJ-WAYWQWQTSA-N -1 3 237.263 0.589 20 0 BCADHM CCCC(C)=CC(=O)Nc1n[n-]nc1C(N)=O ZINC000839357146 585101892 /nfs/dbraw/zinc/10/18/92/585101892.db2.gz UNYSQMVCDNXNLJ-WAYWQWQTSA-N -1 3 237.263 0.589 20 0 BCADHM Cc1nccn1CC(=O)NCc1cncc([O-])c1 ZINC000886275258 585117021 /nfs/dbraw/zinc/11/70/21/585117021.db2.gz SUDRPQYKGCOEIN-UHFFFAOYSA-N -1 3 246.270 0.609 20 0 BCADHM Cc1c(C(=O)[N-]c2nc(C3CC3)no2)nnn1C ZINC000743419594 585136646 /nfs/dbraw/zinc/13/66/46/585136646.db2.gz MWVYKGGQCDIMSZ-UHFFFAOYSA-N -1 3 248.246 0.636 20 0 BCADHM Cc1c(NC(=O)c2nc[n-]n2)n[nH]c1C1CC1 ZINC000746161493 585164032 /nfs/dbraw/zinc/16/40/32/585164032.db2.gz RKSMITJPVZONHT-UHFFFAOYSA-N -1 3 232.247 0.966 20 0 BCADHM Cc1ccc(NC(=O)c2nc[n-]n2)cc1C(N)=O ZINC000746160899 585164240 /nfs/dbraw/zinc/16/42/40/585164240.db2.gz HOZKBDBUKCXHKO-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCn2ccnc2C1 ZINC000747648890 585181946 /nfs/dbraw/zinc/18/19/46/585181946.db2.gz NRBYXAVSVJBHCI-QMMMGPOBSA-N -1 3 209.249 0.513 20 0 BCADHM CCC[C@H](C)OC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000748109402 585187252 /nfs/dbraw/zinc/18/72/52/585187252.db2.gz YXYPNVHVJVYKHJ-JGVFFNPUSA-N -1 3 242.275 0.706 20 0 BCADHM COCCO[N-]C(=O)[C@H]1CCCCN1C ZINC000748767912 585195319 /nfs/dbraw/zinc/19/53/19/585195319.db2.gz OVUXFYWHZGUVJG-SECBINFHSA-N -1 3 216.281 0.165 20 0 BCADHM CCCN1CCC[C@H]1C(=O)[N-]OCCOC ZINC000748770784 585195449 /nfs/dbraw/zinc/19/54/49/585195449.db2.gz SCAANZXJRYTUOW-JTQLQIEISA-N -1 3 230.308 0.555 20 0 BCADHM COCCO[N-]C(=O)[C@H](C(C)C)N(C)C ZINC000748774866 585195984 /nfs/dbraw/zinc/19/59/84/585195984.db2.gz VPZOUFYVFNLEJX-VIFPVBQESA-N -1 3 218.297 0.267 20 0 BCADHM COCCON=C([O-])Nc1nnc(C)s1 ZINC000749016974 585198410 /nfs/dbraw/zinc/19/84/10/585198410.db2.gz MZBNSIQFDMKVAN-UHFFFAOYSA-N -1 3 232.265 0.546 20 0 BCADHM COCCO[N-]C(=O)Nc1nnc(C)s1 ZINC000749016974 585198411 /nfs/dbraw/zinc/19/84/11/585198411.db2.gz MZBNSIQFDMKVAN-UHFFFAOYSA-N -1 3 232.265 0.546 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCn2cncc2C1 ZINC000749568900 585204029 /nfs/dbraw/zinc/20/40/29/585204029.db2.gz XWGLLPFJSRCJHL-QMMMGPOBSA-N -1 3 209.249 0.513 20 0 BCADHM C[C@@H](C(=O)[N-]C1=NCCS1)c1cnn(C)c1 ZINC000749874434 585207701 /nfs/dbraw/zinc/20/77/01/585207701.db2.gz OYWPWPCDXFYLKF-SSDOTTSWSA-N -1 3 238.316 0.743 20 0 BCADHM CCOC(=O)[C@H](C)[N-]S(=O)(=O)CCCF ZINC000750155452 585211538 /nfs/dbraw/zinc/21/15/38/585211538.db2.gz MZVMXEAGOZSJKM-ZETCQYMHSA-N -1 3 241.284 0.217 20 0 BCADHM CCC[C@H](C)OC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000751568949 585233135 /nfs/dbraw/zinc/23/31/35/585233135.db2.gz ZSKBGYTXROHWDP-BQBZGAKWSA-N -1 3 228.248 0.316 20 0 BCADHM O=C(Nc1cccc2c1COC2=O)c1nc[n-]n1 ZINC000752855079 585250968 /nfs/dbraw/zinc/25/09/68/585250968.db2.gz HIVDEKAFKPARBC-UHFFFAOYSA-N -1 3 244.210 0.727 20 0 BCADHM COCCCO[N-]C(=O)CCCC(C)=O ZINC000805036993 585256467 /nfs/dbraw/zinc/25/64/67/585256467.db2.gz RTDOMSDAMMKHFN-UHFFFAOYSA-N -1 3 217.265 0.830 20 0 BCADHM CCCN1CCC[C@H]1C(=O)[N-]OCCCOC ZINC000805042594 585259287 /nfs/dbraw/zinc/25/92/87/585259287.db2.gz ZDMCLUANCMAUOW-NSHDSACASA-N -1 3 244.335 0.945 20 0 BCADHM CCCN(C)CC(=O)[N-]OCCCOC ZINC000805043707 585260962 /nfs/dbraw/zinc/26/09/62/585260962.db2.gz ZKXUIXLWNVPISJ-UHFFFAOYSA-N -1 3 218.297 0.413 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC000805044313 585261387 /nfs/dbraw/zinc/26/13/87/585261387.db2.gz MYIACFOFNNFZSH-BQBZGAKWSA-N -1 3 223.219 0.972 20 0 BCADHM COCCCO[N-]C(=O)CCCCC(N)=O ZINC000805044440 585262169 /nfs/dbraw/zinc/26/21/69/585262169.db2.gz SCGQZERAZXHIJU-UHFFFAOYSA-N -1 3 232.280 0.116 20 0 BCADHM CCNC(=O)CCCC(=O)[N-]OCCCOC ZINC000805045568 585264410 /nfs/dbraw/zinc/26/44/10/585264410.db2.gz TVVNHOWWOKEWKG-UHFFFAOYSA-N -1 3 246.307 0.377 20 0 BCADHM CCC(CC)OC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000754779454 585290721 /nfs/dbraw/zinc/29/07/21/585290721.db2.gz YTBCWZYMFOHTQH-MRVPVSSYSA-N -1 3 242.275 0.706 20 0 BCADHM O=C([N-]C1(CO)CC1)C(F)(F)c1nccs1 ZINC000756875533 585324688 /nfs/dbraw/zinc/32/46/88/585324688.db2.gz MUPTXLACKDFCRQ-UHFFFAOYSA-N -1 3 248.254 0.876 20 0 BCADHM COCCO[N-]C(=O)Cc1c[nH]c2ncccc12 ZINC000756960474 585325722 /nfs/dbraw/zinc/32/57/22/585325722.db2.gz DDGPFGUGAYEIHI-UHFFFAOYSA-N -1 3 249.270 0.800 20 0 BCADHM COc1cc(C(=O)O[C@@H](C)C(N)=O)ccc1[O-] ZINC000757094755 585328147 /nfs/dbraw/zinc/32/81/47/585328147.db2.gz CSXYWXFPXPZMMG-LURJTMIESA-N -1 3 239.227 0.431 20 0 BCADHM NC(=O)CON=C([O-])Nc1ccnc(Cl)c1 ZINC000757807603 585345691 /nfs/dbraw/zinc/34/56/91/585345691.db2.gz KYYRIGOBSNLFCS-UHFFFAOYSA-N -1 3 244.638 0.273 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccnc(Cl)c1 ZINC000757807603 585345692 /nfs/dbraw/zinc/34/56/92/585345692.db2.gz KYYRIGOBSNLFCS-UHFFFAOYSA-N -1 3 244.638 0.273 20 0 BCADHM COCCO[N-]C(=O)CCc1cnn(C)c1C ZINC000759273217 585366502 /nfs/dbraw/zinc/36/65/02/585366502.db2.gz SEQPZAGBGWFQBT-UHFFFAOYSA-N -1 3 241.291 0.355 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3ccoc3)C[C@H]12 ZINC000761215613 585412568 /nfs/dbraw/zinc/41/25/68/585412568.db2.gz HAVUPJZDMLDJFI-SECBINFHSA-N -1 3 235.243 0.016 20 0 BCADHM COCCO[N-]C(=O)CN1CCC(C)CC1 ZINC000762241888 585429853 /nfs/dbraw/zinc/42/98/53/585429853.db2.gz YWWIYNSHXDZBSV-UHFFFAOYSA-N -1 3 230.308 0.413 20 0 BCADHM CC[C@@H](SCc1nc(C)cc(=O)[n-]1)C(N)=O ZINC000763212171 585444433 /nfs/dbraw/zinc/44/44/33/585444433.db2.gz WKTHMPIOWRSCRD-SSDOTTSWSA-N -1 3 241.316 0.988 20 0 BCADHM O=C1OCC[C@@H]1[N-]S(=O)(=O)CC1CCCC1 ZINC000765150739 585481943 /nfs/dbraw/zinc/48/19/43/585481943.db2.gz DZWPLDREJXNNQB-VIFPVBQESA-N -1 3 247.316 0.412 20 0 BCADHM CC(C)(C)OC(=O)CCC(=O)[N-]OCCO ZINC000765518759 585489066 /nfs/dbraw/zinc/48/90/66/585489066.db2.gz WMDZATFEKXFVMB-UHFFFAOYSA-N -1 3 233.264 0.148 20 0 BCADHM CCCn1nccc1NC([O-])=NOCCO ZINC000790575290 585493842 /nfs/dbraw/zinc/49/38/42/585493842.db2.gz ABZGHYLZCIITIE-UHFFFAOYSA-N -1 3 228.252 0.339 20 0 BCADHM CCCn1nccc1NC(=O)[N-]OCCO ZINC000790575290 585493843 /nfs/dbraw/zinc/49/38/43/585493843.db2.gz ABZGHYLZCIITIE-UHFFFAOYSA-N -1 3 228.252 0.339 20 0 BCADHM COC(=O)C1(C(=O)[N-]C2=NCCS2)CC1 ZINC000766380788 585501440 /nfs/dbraw/zinc/50/14/40/585501440.db2.gz YQQHLFJDLBTGOP-UHFFFAOYSA-N -1 3 228.273 0.159 20 0 BCADHM CC[C@H](C(=O)[N-]OCC(F)(F)F)N(C)C ZINC000766762674 585508231 /nfs/dbraw/zinc/50/82/31/585508231.db2.gz NXKBOMFCLNUPPK-ZCFIWIBFSA-N -1 3 228.214 0.937 20 0 BCADHM CC(C)c1cc(C(=O)[N-]N2CCCC2=O)n[nH]1 ZINC000770534846 585575712 /nfs/dbraw/zinc/57/57/12/585575712.db2.gz FBNOGWXLOGAWNL-UHFFFAOYSA-N -1 3 236.275 0.800 20 0 BCADHM COCCON=C([O-])Nc1ccncn1 ZINC000770761967 585581487 /nfs/dbraw/zinc/58/14/87/585581487.db2.gz GAWNMNMPFAKBDN-UHFFFAOYSA-N -1 3 212.209 0.176 20 0 BCADHM COCCO[N-]C(=O)Nc1ccncn1 ZINC000770761967 585581488 /nfs/dbraw/zinc/58/14/88/585581488.db2.gz GAWNMNMPFAKBDN-UHFFFAOYSA-N -1 3 212.209 0.176 20 0 BCADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccncn1 ZINC000770763474 585581588 /nfs/dbraw/zinc/58/15/88/585581588.db2.gz QJAVVUXDSITNLY-MRVPVSSYSA-N -1 3 238.247 0.566 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccncn1 ZINC000770763474 585581589 /nfs/dbraw/zinc/58/15/89/585581589.db2.gz QJAVVUXDSITNLY-MRVPVSSYSA-N -1 3 238.247 0.566 20 0 BCADHM [O-]C(=NOC1CCOCC1)Nc1ccncn1 ZINC000770763836 585581622 /nfs/dbraw/zinc/58/16/22/585581622.db2.gz GAVSZCRFNLWMGC-UHFFFAOYSA-N -1 3 238.247 0.709 20 0 BCADHM O=C([N-]OC1CCOCC1)Nc1ccncn1 ZINC000770763836 585581623 /nfs/dbraw/zinc/58/16/23/585581623.db2.gz GAVSZCRFNLWMGC-UHFFFAOYSA-N -1 3 238.247 0.709 20 0 BCADHM CCc1cc(=O)[n-]c(CN[C@@H](CO)C2CC2)n1 ZINC000771816927 585601091 /nfs/dbraw/zinc/60/10/91/585601091.db2.gz ZOSSKLCFEWEUAI-JTQLQIEISA-N -1 3 237.303 0.605 20 0 BCADHM CCCNC(=O)CCC(=O)[N-]OCCOCC ZINC000772700876 585621159 /nfs/dbraw/zinc/62/11/59/585621159.db2.gz BSSRIBNPZZDJKH-UHFFFAOYSA-N -1 3 246.307 0.377 20 0 BCADHM O=C([N-]OC1CCOCC1)C1=COCCC1 ZINC000772708754 585621555 /nfs/dbraw/zinc/62/15/55/585621555.db2.gz WPASBCOEOZPDLY-UHFFFAOYSA-N -1 3 227.260 0.908 20 0 BCADHM CC(C)[C@@H](C(=O)[N-]OC1CCOCC1)N(C)C ZINC000772718520 585621977 /nfs/dbraw/zinc/62/19/77/585621977.db2.gz KLSUBRZCUPWVGZ-NSHDSACASA-N -1 3 244.335 0.799 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]OC1CCOCC1 ZINC000772724689 585622234 /nfs/dbraw/zinc/62/22/34/585622234.db2.gz FQNLOWFHVVGSLM-SNVBAGLBSA-N -1 3 228.292 0.307 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1CCCCN1C ZINC000775231050 585673669 /nfs/dbraw/zinc/67/36/69/585673669.db2.gz DAHNXXMHSVFGQC-SNVBAGLBSA-N -1 3 230.308 0.555 20 0 BCADHM COc1ncccc1COC(=O)c1n[n-]nc1C ZINC000805545723 585678537 /nfs/dbraw/zinc/67/85/37/585678537.db2.gz BSFBBWDPPJWHOC-UHFFFAOYSA-N -1 3 248.242 0.874 20 0 BCADHM Cc1n[n-]nc1C(=O)OCC(=O)c1ccn(C)c1 ZINC000805546220 585679064 /nfs/dbraw/zinc/67/90/64/585679064.db2.gz KSUFDKHWQJWMLB-UHFFFAOYSA-N -1 3 248.242 0.491 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1cnc(C)cn1 ZINC000805546350 585679240 /nfs/dbraw/zinc/67/92/40/585679240.db2.gz GWULFUXDOHDLDE-UHFFFAOYSA-N -1 3 233.231 0.569 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@H]1CCCO1 ZINC000805546437 585679354 /nfs/dbraw/zinc/67/93/54/585679354.db2.gz MXRFULJFRUEMJX-SSDOTTSWSA-N -1 3 211.221 0.449 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1ccnc(C)n1 ZINC000805547212 585680903 /nfs/dbraw/zinc/68/09/03/585680903.db2.gz WBLIVTNJSPCQGM-UHFFFAOYSA-N -1 3 233.231 0.569 20 0 BCADHM CCOCCON=C([O-])Nc1cc(C)n(C)n1 ZINC000775681658 585683112 /nfs/dbraw/zinc/68/31/12/585683112.db2.gz FJUSWCAZJNNBQA-UHFFFAOYSA-N -1 3 242.279 0.818 20 0 BCADHM CCOCCO[N-]C(=O)Nc1cc(C)n(C)n1 ZINC000775681658 585683113 /nfs/dbraw/zinc/68/31/13/585683113.db2.gz FJUSWCAZJNNBQA-UHFFFAOYSA-N -1 3 242.279 0.818 20 0 BCADHM C[C@H](C(=O)[N-]OCCO)N1CCCCCC1 ZINC000776580163 585700962 /nfs/dbraw/zinc/70/09/62/585700962.db2.gz STLNCHHFSPWFLT-SNVBAGLBSA-N -1 3 230.308 0.291 20 0 BCADHM COc1ccc([O-])c(C(=O)NOCCO)c1 ZINC000776583612 585701567 /nfs/dbraw/zinc/70/15/67/585701567.db2.gz CEZKHLQIDUIUTC-UHFFFAOYSA-N -1 3 227.216 0.055 20 0 BCADHM CC[C@@H](C(=O)[N-]OCCO)N(CC)CC ZINC000776585026 585701667 /nfs/dbraw/zinc/70/16/67/585701667.db2.gz MYOYVSFHNZLELX-VIFPVBQESA-N -1 3 218.297 0.147 20 0 BCADHM CC(C)C[C@H](C)OCCC(=O)[N-]OCCO ZINC000776584880 585702020 /nfs/dbraw/zinc/70/20/20/585702020.db2.gz XDDXMXNXMWHRPO-JTQLQIEISA-N -1 3 233.308 0.868 20 0 BCADHM Cc1ccc(C(=O)[N-]N2CN=NC2=O)cn1 ZINC000777766947 585719787 /nfs/dbraw/zinc/71/97/87/585719787.db2.gz DOXIRKVWSBAQRW-UHFFFAOYSA-N -1 3 219.204 0.071 20 0 BCADHM O=C([N-]n1ccccc1=O)c1cccnc1 ZINC000777784618 585720088 /nfs/dbraw/zinc/72/00/88/585720088.db2.gz SFDUWQXYVKSPGJ-UHFFFAOYSA-N -1 3 215.212 0.627 20 0 BCADHM C[C@@H]1C[C@H](COC(=O)c2cnn[n-]2)CCO1 ZINC000805602869 585727072 /nfs/dbraw/zinc/72/70/72/585727072.db2.gz CXEYTYHMUMKSAJ-HTQZYQBOSA-N -1 3 225.248 0.777 20 0 BCADHM C[C@@H]1C[C@H](COC(=O)c2c[n-]nn2)CCO1 ZINC000805602869 585727073 /nfs/dbraw/zinc/72/70/73/585727073.db2.gz CXEYTYHMUMKSAJ-HTQZYQBOSA-N -1 3 225.248 0.777 20 0 BCADHM Cc1cc(C(=O)COC(=O)c2cnn[n-]2)on1 ZINC000805603049 585727606 /nfs/dbraw/zinc/72/76/06/585727606.db2.gz FRPLUMBHMOYAAJ-UHFFFAOYSA-N -1 3 236.187 0.141 20 0 BCADHM Cc1cc(C(=O)COC(=O)c2c[n-]nn2)on1 ZINC000805603049 585727607 /nfs/dbraw/zinc/72/76/07/585727607.db2.gz FRPLUMBHMOYAAJ-UHFFFAOYSA-N -1 3 236.187 0.141 20 0 BCADHM O=C(OCC(F)(F)C(F)F)c1cnn[n-]1 ZINC000805603507 585728946 /nfs/dbraw/zinc/72/89/46/585728946.db2.gz ORFUOSVGLFTOND-UHFFFAOYSA-N -1 3 227.117 0.862 20 0 BCADHM O=C(OCC(F)(F)C(F)F)c1c[n-]nn1 ZINC000805603507 585728947 /nfs/dbraw/zinc/72/89/47/585728947.db2.gz ORFUOSVGLFTOND-UHFFFAOYSA-N -1 3 227.117 0.862 20 0 BCADHM Cc1nc(COC(=O)c2cnn[n-]2)oc1C ZINC000805604234 585729278 /nfs/dbraw/zinc/72/92/78/585729278.db2.gz AFDZUSAVKCZFPU-UHFFFAOYSA-N -1 3 222.204 0.767 20 0 BCADHM Cc1nc(COC(=O)c2c[n-]nn2)oc1C ZINC000805604234 585729279 /nfs/dbraw/zinc/72/92/79/585729279.db2.gz AFDZUSAVKCZFPU-UHFFFAOYSA-N -1 3 222.204 0.767 20 0 BCADHM Cc1cnc(COC(=O)c2cnn[n-]2)o1 ZINC000805605700 585732267 /nfs/dbraw/zinc/73/22/67/585732267.db2.gz AFNZRVRVPSYIOF-UHFFFAOYSA-N -1 3 208.177 0.458 20 0 BCADHM Cc1cnc(COC(=O)c2c[n-]nn2)o1 ZINC000805605700 585732268 /nfs/dbraw/zinc/73/22/68/585732268.db2.gz AFNZRVRVPSYIOF-UHFFFAOYSA-N -1 3 208.177 0.458 20 0 BCADHM Cc1nnc([C@H](C)OC(=O)c2cnn[n-]2)s1 ZINC000805605840 585732642 /nfs/dbraw/zinc/73/26/42/585732642.db2.gz OUKNJRDRCHZLHH-BYPYZUCNSA-N -1 3 239.260 0.883 20 0 BCADHM Cc1nnc([C@H](C)OC(=O)c2c[n-]nn2)s1 ZINC000805605840 585732643 /nfs/dbraw/zinc/73/26/43/585732643.db2.gz OUKNJRDRCHZLHH-BYPYZUCNSA-N -1 3 239.260 0.883 20 0 BCADHM C[C@H](OC(=O)c1cnn[n-]1)c1cnccn1 ZINC000805606177 585733099 /nfs/dbraw/zinc/73/30/99/585733099.db2.gz UNDOCUFARJQXMO-LURJTMIESA-N -1 3 219.204 0.513 20 0 BCADHM C[C@H](OC(=O)c1c[n-]nn1)c1cnccn1 ZINC000805606177 585733100 /nfs/dbraw/zinc/73/31/00/585733100.db2.gz UNDOCUFARJQXMO-LURJTMIESA-N -1 3 219.204 0.513 20 0 BCADHM O=C(OC[C@H]1CC2(CC2)C(=O)O1)c1cnn[n-]1 ZINC000805606612 585733222 /nfs/dbraw/zinc/73/32/22/585733222.db2.gz ZKOAPJAMKZCCNC-ZCFIWIBFSA-N -1 3 237.215 0.057 20 0 BCADHM O=C(OC[C@H]1CC2(CC2)C(=O)O1)c1c[n-]nn1 ZINC000805606612 585733223 /nfs/dbraw/zinc/73/32/23/585733223.db2.gz ZKOAPJAMKZCCNC-ZCFIWIBFSA-N -1 3 237.215 0.057 20 0 BCADHM Cc1ccnc(COC(=O)c2cnn[n-]2)n1 ZINC000805609237 585735827 /nfs/dbraw/zinc/73/58/27/585735827.db2.gz OVDONDOKALQKLL-UHFFFAOYSA-N -1 3 219.204 0.260 20 0 BCADHM Cc1ccnc(COC(=O)c2c[n-]nn2)n1 ZINC000805609237 585735828 /nfs/dbraw/zinc/73/58/28/585735828.db2.gz OVDONDOKALQKLL-UHFFFAOYSA-N -1 3 219.204 0.260 20 0 BCADHM COCC1(C(=O)[N-]C2=NCCS2)CC1 ZINC000778549882 585736839 /nfs/dbraw/zinc/73/68/39/585736839.db2.gz HEFMSJUTRKQHDH-UHFFFAOYSA-N -1 3 214.290 0.632 20 0 BCADHM Cc1cccc([O-])c1NC(=O)C(=O)NC1CC1 ZINC000778961454 585742320 /nfs/dbraw/zinc/74/23/20/585742320.db2.gz ROMCDBSLWWZSFF-UHFFFAOYSA-N -1 3 234.255 0.918 20 0 BCADHM O=C(NOC1CCCCC1)c1c[n-]nn1 ZINC000779323659 585751177 /nfs/dbraw/zinc/75/11/77/585751177.db2.gz RDUBQBYZORCTOK-UHFFFAOYSA-N -1 3 210.237 0.799 20 0 BCADHM O=C(NOC1CCCCC1)c1cnn[n-]1 ZINC000779323659 585751178 /nfs/dbraw/zinc/75/11/78/585751178.db2.gz RDUBQBYZORCTOK-UHFFFAOYSA-N -1 3 210.237 0.799 20 0 BCADHM O=C(NOC1CCCCC1)c1cn[n-]n1 ZINC000779323659 585751179 /nfs/dbraw/zinc/75/11/79/585751179.db2.gz RDUBQBYZORCTOK-UHFFFAOYSA-N -1 3 210.237 0.799 20 0 BCADHM O=C([N-]OC1CCCCC1)[C@H]1CCNC(=O)C1 ZINC000779322706 585751316 /nfs/dbraw/zinc/75/13/16/585751316.db2.gz WAURFCSERNEBKK-VIFPVBQESA-N -1 3 240.303 0.893 20 0 BCADHM Cn1cnnc1[N-]C(=O)C(F)(F)C1(O)CCC1 ZINC000779419072 585754316 /nfs/dbraw/zinc/75/43/16/585754316.db2.gz HEKWJEBUPICWPH-UHFFFAOYSA-N -1 3 246.217 0.304 20 0 BCADHM Cn1nnnc1[N-]C(=O)CC[C@@H]1CCCO1 ZINC000779465067 585755458 /nfs/dbraw/zinc/75/54/58/585755458.db2.gz FTPBALDTEFBTBQ-ZETCQYMHSA-N -1 3 225.252 0.108 20 0 BCADHM Cc1cccc(OCC(=O)[N-]c2nnnn2C)c1 ZINC000779466155 585755593 /nfs/dbraw/zinc/75/55/93/585755593.db2.gz CNVPGCIUTWXVNG-UHFFFAOYSA-N -1 3 247.258 0.536 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CC[C@@H](CO)C1 ZINC000779677644 585758609 /nfs/dbraw/zinc/75/86/09/585758609.db2.gz SAVQQAZPTZNCAZ-RFMOXSJOSA-N -1 3 248.282 0.641 20 0 BCADHM O=C(C=Cc1cncc([O-])c1)NCc1c[nH]cn1 ZINC000779666336 585758688 /nfs/dbraw/zinc/75/86/88/585758688.db2.gz RTRUNEAJOBEYMG-OWOJBTEDSA-N -1 3 244.254 0.840 20 0 BCADHM C[C@H](O)CN(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000779670080 585758802 /nfs/dbraw/zinc/75/88/02/585758802.db2.gz XRUQRIQYZXOFOP-NWALNABHSA-N -1 3 236.271 0.640 20 0 BCADHM c1[n-][nH]c2ncnc(=NC[C@@H]3CCC=CO3)c1-2 ZINC000780172078 585773326 /nfs/dbraw/zinc/77/33/26/585773326.db2.gz WLEDOBXPSSKBNH-QMMMGPOBSA-N -1 3 231.259 0.831 20 0 BCADHM O=C([N-]N1CCCC1=O)c1cc(C2CC2)[nH]n1 ZINC000780698554 585783173 /nfs/dbraw/zinc/78/31/73/585783173.db2.gz LDWIFRGGJAUWIZ-UHFFFAOYSA-N -1 3 234.259 0.554 20 0 BCADHM Cc1ccc(C(=O)[N-]N2CCCC2=O)nc1 ZINC000780702272 585783414 /nfs/dbraw/zinc/78/34/14/585783414.db2.gz QZWCHSPDXXWACV-UHFFFAOYSA-N -1 3 219.244 0.657 20 0 BCADHM CNC(=O)CCCC(=O)[N-]OC1CCCC1 ZINC000780990811 585788296 /nfs/dbraw/zinc/78/82/96/585788296.db2.gz UUDZIFMFFSKINL-UHFFFAOYSA-N -1 3 228.292 0.893 20 0 BCADHM CNC(=O)CCCC(=O)[N-]OCC(F)F ZINC000781019023 585788597 /nfs/dbraw/zinc/78/85/97/585788597.db2.gz DBAJRJDOYAVKHQ-UHFFFAOYSA-N -1 3 224.207 0.216 20 0 BCADHM CN1CC[C@@H](O[N-]C(=O)C(C)(C)C)C1=O ZINC000781615876 585800486 /nfs/dbraw/zinc/80/04/86/585800486.db2.gz CEACNYATYKUOIH-SSDOTTSWSA-N -1 3 214.265 0.311 20 0 BCADHM CN(CCO)C(=O)c1cc2n[n-]nc2cc1F ZINC000781903287 585805079 /nfs/dbraw/zinc/80/50/79/585805079.db2.gz GGZFOVSEKYPBDV-UHFFFAOYSA-N -1 3 238.222 0.161 20 0 BCADHM C[C@H](CO)NC(=O)c1cc2n[n-]nc2cc1F ZINC000781903116 585805236 /nfs/dbraw/zinc/80/52/36/585805236.db2.gz AHNPPKBGRIPJSS-RXMQYKEDSA-N -1 3 238.222 0.208 20 0 BCADHM Cc1cc(C(=O)[N-]N2CN=NC2=O)co1 ZINC000781963653 585805883 /nfs/dbraw/zinc/80/58/83/585805883.db2.gz ZELUZQWVHVCRNH-UHFFFAOYSA-N -1 3 208.177 0.269 20 0 BCADHM O=C([N-]N1CN=NC1=O)c1ccnc(C2CC2)c1 ZINC000783662421 585839701 /nfs/dbraw/zinc/83/97/01/585839701.db2.gz YGPCRAJPQCJAPD-UHFFFAOYSA-N -1 3 245.242 0.640 20 0 BCADHM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1ccon1 ZINC000785500254 585874787 /nfs/dbraw/zinc/87/47/87/585874787.db2.gz JNIPQCDFYAWFTR-VXNVDRBHSA-N -1 3 246.288 0.271 20 0 BCADHM Cc1conc1[N-]C(=O)c1cnn(C)n1 ZINC000786409717 585891115 /nfs/dbraw/zinc/89/11/15/585891115.db2.gz WUSNUZOWBCQNSK-UHFFFAOYSA-N -1 3 207.193 0.364 20 0 BCADHM O=C([N-]C1=NCCS1)[C@@H]1CCCN1C1CC1 ZINC000786733989 585896762 /nfs/dbraw/zinc/89/67/62/585896762.db2.gz DILUXVYGCFVJFD-VIFPVBQESA-N -1 3 239.344 0.832 20 0 BCADHM COC(=O)C1([N-]C(=O)C(F)F)CCCC1 ZINC000787145430 585901331 /nfs/dbraw/zinc/90/13/31/585901331.db2.gz VFMLICZOJWSDLH-UHFFFAOYSA-N -1 3 221.203 0.854 20 0 BCADHM Cc1sccc1CC(=O)[N-]OCC(N)=O ZINC000787212015 585903085 /nfs/dbraw/zinc/90/30/85/585903085.db2.gz SPQCZPKKYBNVSE-UHFFFAOYSA-N -1 3 228.273 0.132 20 0 BCADHM CCc1ccc([O-])c(C(=O)NOCCO)c1 ZINC000787292839 585905485 /nfs/dbraw/zinc/90/54/85/585905485.db2.gz RVNHJCFUKAIFGV-UHFFFAOYSA-N -1 3 225.244 0.608 20 0 BCADHM CC[C@H]1C[C@H](CC(=O)[N-]OCCO)CCO1 ZINC000787296127 585905787 /nfs/dbraw/zinc/90/57/87/585905787.db2.gz UWAJHJZSVJOESK-ZJUUUORDSA-N -1 3 231.292 0.622 20 0 BCADHM O=C(/C=C/c1cccs1)[N-]OCCO ZINC000787295040 585905834 /nfs/dbraw/zinc/90/58/34/585905834.db2.gz VCSRHYPVHDTSBR-ONEGZZNKSA-N -1 3 213.258 0.801 20 0 BCADHM O=C(Cc1ccc2c(c1)CCC2)[N-]OCCO ZINC000787294908 585905992 /nfs/dbraw/zinc/90/59/92/585905992.db2.gz WJKQKJPHKUYZPE-UHFFFAOYSA-N -1 3 235.283 0.758 20 0 BCADHM CCO[C@H](CC(=O)[N-]OCCO)C(C)C ZINC000787298580 585906032 /nfs/dbraw/zinc/90/60/32/585906032.db2.gz BQAJWSATBUJKIQ-SECBINFHSA-N -1 3 219.281 0.478 20 0 BCADHM O=C([N-]C[C@H](O)c1ccco1)C(F)F ZINC000787426602 585909223 /nfs/dbraw/zinc/90/92/23/585909223.db2.gz IRVDLKNNWBKNJS-YFKPBYRVSA-N -1 3 205.160 0.694 20 0 BCADHM NC(=O)c1coc(C[N-]C(=O)C(F)F)c1 ZINC000787538258 585911277 /nfs/dbraw/zinc/91/12/77/585911277.db2.gz IQBKVHUJTJUAGJ-UHFFFAOYSA-N -1 3 218.159 0.260 20 0 BCADHM C[C@@H](OC(=O)c1cncc([O-])c1)c1nnnn1C ZINC000787701336 585914248 /nfs/dbraw/zinc/91/42/48/585914248.db2.gz AQXNJWZHCTUNSV-ZCFIWIBFSA-N -1 3 249.230 0.229 20 0 BCADHM COCCC(C)(C)C(=O)[N-]OCC(C)(C)O ZINC000788224876 585919592 /nfs/dbraw/zinc/91/95/92/585919592.db2.gz UYWGJFMTVLLLCS-UHFFFAOYSA-N -1 3 233.308 0.868 20 0 BCADHM CCO[N-]C(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000788264580 585920409 /nfs/dbraw/zinc/92/04/09/585920409.db2.gz FOGALGAVUDLOFP-NKWVEPMBSA-N -1 3 223.294 0.123 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]OC[C@H]1CCOC1 ZINC000788272580 585920619 /nfs/dbraw/zinc/92/06/19/585920619.db2.gz CIUGEJKQDVDYAH-UWVGGRQHSA-N -1 3 228.292 0.165 20 0 BCADHM O=C(Cc1ccncc1)[N-]OC[C@H]1CCOC1 ZINC000788569324 585927021 /nfs/dbraw/zinc/92/70/21/585927021.db2.gz GCIVPODTYHBGSN-NSHDSACASA-N -1 3 236.271 0.708 20 0 BCADHM C[C@@H](C(=O)[N-]OC[C@H]1CCOC1)N(C)C ZINC000788574506 585927351 /nfs/dbraw/zinc/92/73/51/585927351.db2.gz MKPZNZDSWYQGOC-IUCAKERBSA-N -1 3 216.281 0.021 20 0 BCADHM Cc1n[n-]nc1C(=O)Nc1c2c(nn1C)CCC2 ZINC000789912698 585952732 /nfs/dbraw/zinc/95/27/32/585952732.db2.gz XOUMKTWKOCOCLT-UHFFFAOYSA-N -1 3 246.274 0.588 20 0 BCADHM COc1ccc([O-])c(C(=O)Nc2cn[nH]n2)c1 ZINC000789926290 585953250 /nfs/dbraw/zinc/95/32/50/585953250.db2.gz QOCBQSCXWOZGOG-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COCCO[N-]C(=O)CC(C)(C)COC(C)=O ZINC000790452548 585965059 /nfs/dbraw/zinc/96/50/59/585965059.db2.gz QPGDTIPRAYTXBG-UHFFFAOYSA-N -1 3 247.291 0.660 20 0 BCADHM [O-]C(=NOCCO)Nc1ccc(Cl)cn1 ZINC000790575649 585966420 /nfs/dbraw/zinc/96/64/20/585966420.db2.gz DLQKDUJPSJBWIB-UHFFFAOYSA-N -1 3 231.639 0.780 20 0 BCADHM O=C([N-]OCCO)Nc1ccc(Cl)cn1 ZINC000790575649 585966421 /nfs/dbraw/zinc/96/64/21/585966421.db2.gz DLQKDUJPSJBWIB-UHFFFAOYSA-N -1 3 231.639 0.780 20 0 BCADHM Cc1n[n-]nc1C(=O)OCC(=O)C(C)(C)C ZINC000791045541 585972549 /nfs/dbraw/zinc/97/25/49/585972549.db2.gz RGUICFMXDBORGD-UHFFFAOYSA-N -1 3 225.248 0.885 20 0 BCADHM CC[C@H](C)NC(=O)COC(=O)c1n[n-]nc1C ZINC000791048741 585972729 /nfs/dbraw/zinc/97/27/29/585972729.db2.gz ULKDVOZWIMYUBY-LURJTMIESA-N -1 3 240.263 0.185 20 0 BCADHM CCCNC(=O)CCC(=O)[N-]OCC(C)(C)O ZINC000791262392 585975687 /nfs/dbraw/zinc/97/56/87/585975687.db2.gz BCKPISHLLBPVBR-UHFFFAOYSA-N -1 3 246.307 0.112 20 0 BCADHM COc1cc(C(=O)OC[C@@H](C)O)ccc1[O-] ZINC000792016997 585993742 /nfs/dbraw/zinc/99/37/42/585993742.db2.gz RMASBPYUAJXCPW-SSDOTTSWSA-N -1 3 226.228 0.938 20 0 BCADHM COCCONC(=O)NCc1ncccc1[O-] ZINC000792195707 585997369 /nfs/dbraw/zinc/99/73/69/585997369.db2.gz YGLBCABLLBYKMZ-UHFFFAOYSA-N -1 3 241.247 0.164 20 0 BCADHM CN(C)c1ccccc1NC([O-])=NOCCO ZINC000792226297 585998339 /nfs/dbraw/zinc/99/83/39/585998339.db2.gz ZGTHURBHSGNNMB-UHFFFAOYSA-N -1 3 239.275 0.798 20 0 BCADHM CN(C)c1ccccc1NC(=O)[N-]OCCO ZINC000792226297 585998340 /nfs/dbraw/zinc/99/83/40/585998340.db2.gz ZGTHURBHSGNNMB-UHFFFAOYSA-N -1 3 239.275 0.798 20 0 BCADHM COCCON=C([O-])Nc1ccc(F)cn1 ZINC000792358884 586000091 /nfs/dbraw/zinc/00/00/91/586000091.db2.gz CQGLNOOZVUKBNN-UHFFFAOYSA-N -1 3 229.211 0.920 20 0 BCADHM COCCO[N-]C(=O)Nc1ccc(F)cn1 ZINC000792358884 586000092 /nfs/dbraw/zinc/00/00/92/586000092.db2.gz CQGLNOOZVUKBNN-UHFFFAOYSA-N -1 3 229.211 0.920 20 0 BCADHM [O-]C(=NOCCO)Nc1ccnn1CC1CC1 ZINC000792395358 586000503 /nfs/dbraw/zinc/00/05/03/586000503.db2.gz XNRMNOKYPUNUDD-UHFFFAOYSA-N -1 3 240.263 0.339 20 0 BCADHM O=C([N-]OCCO)Nc1ccnn1CC1CC1 ZINC000792395358 586000504 /nfs/dbraw/zinc/00/05/04/586000504.db2.gz XNRMNOKYPUNUDD-UHFFFAOYSA-N -1 3 240.263 0.339 20 0 BCADHM COCCO[N-]C(=O)C[C@@H]1CCCOC1 ZINC000793619078 586024274 /nfs/dbraw/zinc/02/42/74/586024274.db2.gz OFGTZDZLRLJUPU-VIFPVBQESA-N -1 3 217.265 0.497 20 0 BCADHM CC[C@@H](C)CC[C@@H](O)CC(=O)[N-]OCC(N)=O ZINC000793773214 586026305 /nfs/dbraw/zinc/02/63/05/586026305.db2.gz LPFNIAHLMACPHN-RKDXNWHRSA-N -1 3 246.307 0.097 20 0 BCADHM CCOCCO[N-]C(=O)C1=CCOCC1 ZINC000793843838 586027775 /nfs/dbraw/zinc/02/77/75/586027775.db2.gz OQCWIGODHOGVKO-UHFFFAOYSA-N -1 3 215.249 0.417 20 0 BCADHM CCNC(=O)CCC(=O)[N-]OCCSC ZINC000794179605 586034245 /nfs/dbraw/zinc/03/42/45/586034245.db2.gz CVUNRVAXABXYGW-UHFFFAOYSA-N -1 3 234.321 0.314 20 0 BCADHM CC[C@H](C(=O)[N-]OCCSC)N(C)C ZINC000794190434 586034794 /nfs/dbraw/zinc/03/47/94/586034794.db2.gz DOSDJUHHFUTGCO-MRVPVSSYSA-N -1 3 220.338 0.737 20 0 BCADHM CSCCO[N-]C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000794194735 586035163 /nfs/dbraw/zinc/03/51/63/586035163.db2.gz GAJBGPVYMGOZPQ-MRVPVSSYSA-N -1 3 246.332 0.266 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000794843983 586050461 /nfs/dbraw/zinc/05/04/61/586050461.db2.gz UFKZTNXDKQFRDX-RKDXNWHRSA-N -1 3 249.332 0.515 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@@H]1CCC[C@@H](O)C1 ZINC000795575612 586086664 /nfs/dbraw/zinc/08/66/64/586086664.db2.gz XTIMQSNCTYRQNU-RKDXNWHRSA-N -1 3 239.275 0.821 20 0 BCADHM O=C(OC[C@@H]1CCC[C@@H](O)C1)c1cnn[n-]1 ZINC000795597021 586088417 /nfs/dbraw/zinc/08/84/17/586088417.db2.gz ARRYWQCDYSKGCU-HTQZYQBOSA-N -1 3 225.248 0.513 20 0 BCADHM O=C(OC[C@@H]1CCC[C@@H](O)C1)c1c[n-]nn1 ZINC000795597021 586088419 /nfs/dbraw/zinc/08/84/19/586088419.db2.gz ARRYWQCDYSKGCU-HTQZYQBOSA-N -1 3 225.248 0.513 20 0 BCADHM CCOC(=O)[C@H](C)[N-]S(=O)(=O)c1ccoc1 ZINC000795803238 586092733 /nfs/dbraw/zinc/09/27/33/586092733.db2.gz HZDGPKBIVXQWTM-ZETCQYMHSA-N -1 3 247.272 0.510 20 0 BCADHM CC(=O)OCCNC(=O)c1cccc2nn[n-]c21 ZINC000798256267 586142018 /nfs/dbraw/zinc/14/20/18/586142018.db2.gz CKLUMMCAIKUOQM-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM CC(=O)OCCNC(=O)c1cccc2[n-]nnc21 ZINC000798256267 586142019 /nfs/dbraw/zinc/14/20/19/586142019.db2.gz CKLUMMCAIKUOQM-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM CC(=O)OCCNC(=O)c1cccc2n[n-]nc21 ZINC000798256267 586142020 /nfs/dbraw/zinc/14/20/20/586142020.db2.gz CKLUMMCAIKUOQM-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM COc1ccccc1CO[N-]C(=O)CN(C)C ZINC000799093321 586156419 /nfs/dbraw/zinc/15/64/19/586156419.db2.gz LMLHPXBFTJFUCC-UHFFFAOYSA-N -1 3 238.287 0.805 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)[C@H]1C[C@@H]1C(F)F ZINC000801103078 586242611 /nfs/dbraw/zinc/24/26/11/586242611.db2.gz YDFBQNSKIIIAEH-FXQIFTODSA-N -1 3 235.230 0.972 20 0 BCADHM Cc1nc(C)c(CC(=O)OCC(F)F)c(=O)[n-]1 ZINC000103653365 586269476 /nfs/dbraw/zinc/26/94/76/586269476.db2.gz KALXEZUJUIVROQ-UHFFFAOYSA-N -1 3 246.213 0.738 20 0 BCADHM C[C@@H]1C[C@H]1COC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000859475780 589039781 /nfs/dbraw/zinc/03/97/81/589039781.db2.gz OHRSFWKGNBTNFD-CSMHCCOUSA-N -1 3 240.259 0.174 20 0 BCADHM CC[C@@H]1OCC[C@H]1C(=O)Nc1ccncc1[O-] ZINC000802913823 586323384 /nfs/dbraw/zinc/32/33/84/586323384.db2.gz PLQLZGYYBJEKIZ-KCJUWKMLSA-N -1 3 236.271 0.963 20 0 BCADHM Cn1ncc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)n1 ZINC000803105821 586334117 /nfs/dbraw/zinc/33/41/17/586334117.db2.gz RMIXUEYSXSQNEB-UHFFFAOYSA-N -1 3 247.262 0.453 20 0 BCADHM CCn1cnnc1[N-]C(=O)C(=O)C(C)(C)C ZINC000803527027 586363998 /nfs/dbraw/zinc/36/39/98/586363998.db2.gz RIZQCTAFUJGKKO-UHFFFAOYSA-N -1 3 224.264 0.852 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H]1CCC=CO1 ZINC000803526654 586364452 /nfs/dbraw/zinc/36/44/52/586364452.db2.gz FIYBVLSNRYAUGI-MRVPVSSYSA-N -1 3 222.248 0.929 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(C)C ZINC000806570465 586414688 /nfs/dbraw/zinc/41/46/88/586414688.db2.gz AGCYDSUZKMGNDU-ZETCQYMHSA-N -1 3 220.294 0.050 20 0 BCADHM COc1cc(NC([O-])=NOCCO)ccn1 ZINC000806665265 586416051 /nfs/dbraw/zinc/41/60/51/586416051.db2.gz LMSZSJNTRQHEGU-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM COc1cc(NC(=O)[N-]OCCO)ccn1 ZINC000806665265 586416052 /nfs/dbraw/zinc/41/60/52/586416052.db2.gz LMSZSJNTRQHEGU-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM CS(=O)(=O)[N-]c1cccc2c1COC2=O ZINC000808127194 586464131 /nfs/dbraw/zinc/46/41/31/586464131.db2.gz AFCDITNVFAXPDA-UHFFFAOYSA-N -1 3 227.241 0.729 20 0 BCADHM CNC(=O)[C@@H]([N-]C(=O)C(C)(F)F)C(C)C ZINC000808464150 586473727 /nfs/dbraw/zinc/47/37/27/586473727.db2.gz DOXWPJNLXOQHQC-LURJTMIESA-N -1 3 222.235 0.528 20 0 BCADHM Cn1cnc(C[N-]C(=O)C(C)(F)F)n1 ZINC000808465671 586474774 /nfs/dbraw/zinc/47/47/74/586474774.db2.gz CUIFXSUPLRYEAT-UHFFFAOYSA-N -1 3 204.180 0.087 20 0 BCADHM C[C@H]([N-]C(=O)C(C)(F)F)c1nnnn1C1CC1 ZINC000808466742 586475093 /nfs/dbraw/zinc/47/50/93/586475093.db2.gz PKEZRLPRGGMMBY-YFKPBYRVSA-N -1 3 245.233 0.840 20 0 BCADHM CCOCCO[N-]C(=O)C[C@@H](C)CC(=O)OC ZINC000809775010 586519235 /nfs/dbraw/zinc/51/92/35/586519235.db2.gz XMQQJTXRWKGJDH-SECBINFHSA-N -1 3 247.291 0.660 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-][C@]1(C)CCOC1=O ZINC000810104687 586534186 /nfs/dbraw/zinc/53/41/86/586534186.db2.gz OHRCCQKDLBOGFR-WCBMZHEXSA-N -1 3 249.332 0.658 20 0 BCADHM C[C@@]1([N-]S(=O)(=O)CC2CCC2)CCOC1=O ZINC000810102451 586534216 /nfs/dbraw/zinc/53/42/16/586534216.db2.gz HXWJDHQAADDMQW-SNVBAGLBSA-N -1 3 247.316 0.412 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C[C@H]1CCOC1 ZINC000811557338 586561276 /nfs/dbraw/zinc/56/12/76/586561276.db2.gz ATDCCHYZWZAXCY-SECBINFHSA-N -1 3 245.275 0.414 20 0 BCADHM COC(=O)CCCO[N-]C(=O)[C@@H]1CCCN1C ZINC000811562147 586561482 /nfs/dbraw/zinc/56/14/82/586561482.db2.gz KIWARVZOEDBSJO-VIFPVBQESA-N -1 3 244.291 0.082 20 0 BCADHM O=C([N-]OC/C=C/Cl)[C@H]1CCC(=O)NC1 ZINC000812408358 586576586 /nfs/dbraw/zinc/57/65/86/586576586.db2.gz PUARZFLTLUQERZ-FTSYCPQPSA-N -1 3 232.667 0.313 20 0 BCADHM CCC(=O)N1CC[C@H](C(=O)[N-]OC2CCC2)C1 ZINC000812789718 586584551 /nfs/dbraw/zinc/58/45/51/586584551.db2.gz MCUAOCIIUXEVBE-VIFPVBQESA-N -1 3 240.303 0.845 20 0 BCADHM CC(C)OCCO[N-]C(=O)CC(C)(C)O ZINC000812803311 586586499 /nfs/dbraw/zinc/58/64/99/586586499.db2.gz BSIBUZUXRHFFAY-UHFFFAOYSA-N -1 3 219.281 0.620 20 0 BCADHM CC(C)OCCO[N-]C(=O)C1CC(=O)C1 ZINC000812806816 586586924 /nfs/dbraw/zinc/58/69/24/586586924.db2.gz QBYQAFBVINHLCX-UHFFFAOYSA-N -1 3 215.249 0.438 20 0 BCADHM CC(C)OCCO[N-]C(=O)CCCC(N)=O ZINC000812808339 586586970 /nfs/dbraw/zinc/58/69/70/586586970.db2.gz DJOXTCBGJLFYHJ-UHFFFAOYSA-N -1 3 232.280 0.115 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@@H]1CCCCN1C ZINC000812808687 586587313 /nfs/dbraw/zinc/58/73/13/586587313.db2.gz JNBASINDDRTSOE-NSHDSACASA-N -1 3 244.335 0.944 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC000812810013 586587367 /nfs/dbraw/zinc/58/73/67/586587367.db2.gz PFRUGRVTJYJWJA-JQWIXIFHSA-N -1 3 243.303 0.886 20 0 BCADHM COC[C@H](C)OC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814529564 586623549 /nfs/dbraw/zinc/62/35/49/586623549.db2.gz JDWYCUVDHQXPLL-ZETCQYMHSA-N -1 3 241.243 0.993 20 0 BCADHM CC(F)(F)C(=O)[N-]C1(C(N)=O)CCC1 ZINC000815858267 586695033 /nfs/dbraw/zinc/69/50/33/586695033.db2.gz NXFUZHDAQLIKOH-UHFFFAOYSA-N -1 3 206.192 0.166 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1ncccn1 ZINC000815841941 586695067 /nfs/dbraw/zinc/69/50/67/586695067.db2.gz CZCUMBYILHJVLE-UHFFFAOYSA-N -1 3 201.176 0.748 20 0 BCADHM COC1(CC(=O)[N-]OCC(C)(C)O)CCC1 ZINC000816382390 586723163 /nfs/dbraw/zinc/72/31/63/586723163.db2.gz NJPRVTPVPWHCMD-UHFFFAOYSA-N -1 3 231.292 0.764 20 0 BCADHM CC(C)(C)n1cc(CNC(C)(C)C(=O)[O-])nn1 ZINC000859809403 589062590 /nfs/dbraw/zinc/06/25/90/589062590.db2.gz SLPPIGRQAVMYTF-UHFFFAOYSA-N -1 3 240.307 0.986 20 0 BCADHM COCCCO[N-]C(=O)CCc1ccn(C)n1 ZINC000816660365 586753409 /nfs/dbraw/zinc/75/34/09/586753409.db2.gz AXGUSWHEOSXDNR-UHFFFAOYSA-N -1 3 241.291 0.437 20 0 BCADHM O=C(N[C@@H]1COC(=O)C1)c1ccccc1[O-] ZINC000816676755 586754403 /nfs/dbraw/zinc/75/44/03/586754403.db2.gz OYOOKUOZJDXLET-ZETCQYMHSA-N -1 3 221.212 0.438 20 0 BCADHM CCc1ccc([O-])c(C(=O)N[C@@H]2COC(=O)C2)c1 ZINC000816677946 586754730 /nfs/dbraw/zinc/75/47/30/586754730.db2.gz MSGCSPVJRLADOD-VIFPVBQESA-N -1 3 249.266 1.000 20 0 BCADHM CCn1ncn([N-]C(=O)c2ccc(C)nc2)c1=O ZINC000816738350 586761976 /nfs/dbraw/zinc/76/19/76/586761976.db2.gz ZSVCEFQYHNOPSU-UHFFFAOYSA-N -1 3 247.258 0.152 20 0 BCADHM O=C(C[C@@H]1CCC(=O)N1)Nc1ncccc1[O-] ZINC000816823349 586766191 /nfs/dbraw/zinc/76/61/91/586766191.db2.gz RHIPVSVZGUCTKR-ZETCQYMHSA-N -1 3 235.243 0.394 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCc2cncn2C1 ZINC000816831368 586767179 /nfs/dbraw/zinc/76/71/79/586767179.db2.gz PRPXJRFEMYYLRL-QMMMGPOBSA-N -1 3 209.249 0.513 20 0 BCADHM CONC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000816845718 586768637 /nfs/dbraw/zinc/76/86/37/586768637.db2.gz AFISPKMEECQTSW-UHFFFAOYSA-N -1 3 209.201 0.886 20 0 BCADHM CC(C)CO[N-]C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000816953858 586772760 /nfs/dbraw/zinc/77/27/60/586772760.db2.gz ORXXLEGLJVMUHT-JGVFFNPUSA-N -1 3 214.265 0.202 20 0 BCADHM Cn1cnc([N-]C(=O)c2cccc(F)n2)n1 ZINC000817146296 586783760 /nfs/dbraw/zinc/78/37/60/586783760.db2.gz GRNHXENTXWOWFE-UHFFFAOYSA-N -1 3 221.195 0.602 20 0 BCADHM CN(CC(=O)[N-]OCC1CC1)[C@@H]1CCSC1 ZINC000817344885 586797966 /nfs/dbraw/zinc/79/79/66/586797966.db2.gz YHQKOPYEZHUKJE-SNVBAGLBSA-N -1 3 244.360 0.882 20 0 BCADHM CN(C)C1(C(=O)[N-]OCC2CC2)CCC1 ZINC000817358656 586799132 /nfs/dbraw/zinc/79/91/32/586799132.db2.gz XMFDSBHTFIJKDM-UHFFFAOYSA-N -1 3 212.293 0.929 20 0 BCADHM CNC(=O)CCCC(=O)[N-]OCC1CC1 ZINC000817358568 586799168 /nfs/dbraw/zinc/79/91/68/586799168.db2.gz VFIQVRBLFUJBMW-UHFFFAOYSA-N -1 3 214.265 0.361 20 0 BCADHM O=C([N-]OCCC1CC1)[C@@H]1CCNC(=O)C1 ZINC000817420799 586803609 /nfs/dbraw/zinc/80/36/09/586803609.db2.gz AQCZOPMWONJCNK-SECBINFHSA-N -1 3 226.276 0.361 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CC12CC2 ZINC000817609941 586814075 /nfs/dbraw/zinc/81/40/75/586814075.db2.gz AXBNSUOJZBTJIT-IUCAKERBSA-N -1 3 213.277 0.851 20 0 BCADHM CCOC([O-])=NOCCCCS(C)(=O)=O ZINC000818106497 586874766 /nfs/dbraw/zinc/87/47/66/586874766.db2.gz QCOWJGXXMCZZRW-UHFFFAOYSA-N -1 3 239.293 0.489 20 0 BCADHM CCOC(=O)[N-]OCCCCS(C)(=O)=O ZINC000818106497 586874768 /nfs/dbraw/zinc/87/47/68/586874768.db2.gz QCOWJGXXMCZZRW-UHFFFAOYSA-N -1 3 239.293 0.489 20 0 BCADHM CC[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)C ZINC000818132345 586876501 /nfs/dbraw/zinc/87/65/01/586876501.db2.gz UIEZHCAHYABHBE-JTQLQIEISA-N -1 3 242.319 0.650 20 0 BCADHM CCOCC(=O)OC[C@@H]1CCCN1CC(=O)[O-] ZINC000818232561 586881026 /nfs/dbraw/zinc/88/10/26/586881026.db2.gz FLRFDJZOEADJTQ-VIFPVBQESA-N -1 3 245.275 0.115 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)C1=CCCC1 ZINC000818378033 586889503 /nfs/dbraw/zinc/88/95/03/586889503.db2.gz FPCARGRMLFJNSO-UHFFFAOYSA-N -1 3 240.303 0.572 20 0 BCADHM COC(=O)/C(C)=C/CN1CC[C@@H](C(=O)[O-])C1 ZINC000818500315 586894816 /nfs/dbraw/zinc/89/48/16/586894816.db2.gz AJXLZMXXJPHMCD-QZGLAHODSA-N -1 3 227.260 0.512 20 0 BCADHM COC(=O)/C(C)=C/CN(C)CCC(=O)[O-] ZINC000818500434 586895127 /nfs/dbraw/zinc/89/51/27/586895127.db2.gz JQSBPISPWGRYAV-XBXARRHUSA-N -1 3 215.249 0.512 20 0 BCADHM CC(C)(CO)O[N-]C(=O)/C=C/[C@@H]1CCCO1 ZINC000819556655 586977352 /nfs/dbraw/zinc/97/73/52/586977352.db2.gz PPGKPLOTMVMXSG-CYNONHLPSA-N -1 3 229.276 0.540 20 0 BCADHM CN1CCC(O[N-]C(=O)Cn2cccn2)CC1 ZINC000819692934 586986540 /nfs/dbraw/zinc/98/65/40/586986540.db2.gz UCMVQLVOWOSXIY-UHFFFAOYSA-N -1 3 238.291 0.025 20 0 BCADHM CC(=O)N[C@H](C)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819763512 586991175 /nfs/dbraw/zinc/99/11/75/586991175.db2.gz OWZNKPZVZRVMCC-PHDIDXHHSA-N -1 3 229.305 0.119 20 0 BCADHM CCNC(=O)CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819775031 586992187 /nfs/dbraw/zinc/99/21/87/586992187.db2.gz BLWZZBZLFPRQGN-ZCFIWIBFSA-N -1 3 229.305 0.120 20 0 BCADHM CC(C)[C@@H](O)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819777599 586993123 /nfs/dbraw/zinc/99/31/23/586993123.db2.gz KRYWXPFOPRHIMS-RNFRBKRXSA-N -1 3 216.306 0.611 20 0 BCADHM CC[C@H](C(=O)[N-]C1=NC[C@@H](C)S1)C(=O)OC ZINC000819781713 586994314 /nfs/dbraw/zinc/99/43/14/586994314.db2.gz LUILJQYNPNEUCU-RNFRBKRXSA-N -1 3 244.316 0.793 20 0 BCADHM C[C@@H]1CN=C([N-]C(=O)[C@H]2NC(=O)O[C@H]2C)S1 ZINC000819784303 586994552 /nfs/dbraw/zinc/99/45/52/586994552.db2.gz YLVCFQHWAGSUSW-SRQIZXRXSA-N -1 3 243.288 0.091 20 0 BCADHM C[C@H](C(=O)[O-])N(C)Cc1cnc2cnccn12 ZINC000819895489 587001054 /nfs/dbraw/zinc/00/10/54/587001054.db2.gz KJFMJFVJTSWWSG-MRVPVSSYSA-N -1 3 234.259 0.634 20 0 BCADHM CC(C)(CO)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000819987706 587011312 /nfs/dbraw/zinc/01/13/12/587011312.db2.gz HNNXJRXUHCMZRY-UHFFFAOYSA-N -1 3 248.290 0.692 20 0 BCADHM CC(C)(CO)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000819987706 587011316 /nfs/dbraw/zinc/01/13/16/587011316.db2.gz HNNXJRXUHCMZRY-UHFFFAOYSA-N -1 3 248.290 0.692 20 0 BCADHM CC(C)(O)CNCc1ccc(-c2nnn[n-]2)o1 ZINC000819992317 587011474 /nfs/dbraw/zinc/01/14/74/587011474.db2.gz WBMZCPWLOJMINS-UHFFFAOYSA-N -1 3 237.263 0.320 20 0 BCADHM C[C@@H](CC(=O)[O-])N[C@H]1CCCn2ncnc21 ZINC000820079074 587019507 /nfs/dbraw/zinc/01/95/07/587019507.db2.gz RMIUSISGOZUPQO-YUMQZZPRSA-N -1 3 224.264 0.566 20 0 BCADHM C[C@@H](CC(=O)[O-])NCc1ccnc(N(C)C)n1 ZINC000820089853 587020952 /nfs/dbraw/zinc/02/09/52/587020952.db2.gz WLSGTXRFGQXQOQ-QMMMGPOBSA-N -1 3 238.291 0.495 20 0 BCADHM C[C@H](CCO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820248129 587038088 /nfs/dbraw/zinc/03/80/88/587038088.db2.gz CRXKMRRNMCREAR-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](CCO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820248129 587038090 /nfs/dbraw/zinc/03/80/90/587038090.db2.gz CRXKMRRNMCREAR-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](CO)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000820286506 587041119 /nfs/dbraw/zinc/04/11/19/587041119.db2.gz BTDXAXQASJGEEC-LURJTMIESA-N -1 3 237.288 0.735 20 0 BCADHM C[C@@H](CO)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000820286506 587041121 /nfs/dbraw/zinc/04/11/21/587041121.db2.gz BTDXAXQASJGEEC-LURJTMIESA-N -1 3 237.288 0.735 20 0 BCADHM CC[C@H]1CC[C@@H](C)N1CC(=O)NCC(=O)[O-] ZINC000820290515 587041498 /nfs/dbraw/zinc/04/14/98/587041498.db2.gz KJMYFTFJCHNOTA-BDAKNGLRSA-N -1 3 228.292 0.450 20 0 BCADHM CCC[C@H](C(=O)NCCCC(=O)[O-])N(C)C ZINC000820303373 587042373 /nfs/dbraw/zinc/04/23/73/587042373.db2.gz AJFGDXIVKHJJGA-SECBINFHSA-N -1 3 230.308 0.698 20 0 BCADHM CCS(=O)(=O)C[C@@H](C)N[C@H](C)CC(=O)[O-] ZINC000820391911 587045614 /nfs/dbraw/zinc/04/56/14/587045614.db2.gz QEFRLAPQPHPBFO-HTQZYQBOSA-N -1 3 237.321 0.262 20 0 BCADHM C[C@@H](NC(N)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820410369 587046988 /nfs/dbraw/zinc/04/69/88/587046988.db2.gz DUWHXHRRERPCBT-ZCFIWIBFSA-N -1 3 232.247 0.596 20 0 BCADHM C[C@@H](NC(N)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820410369 587046989 /nfs/dbraw/zinc/04/69/89/587046989.db2.gz DUWHXHRRERPCBT-ZCFIWIBFSA-N -1 3 232.247 0.596 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1C(=O)[N-]OCC1CC1 ZINC000820479602 587050885 /nfs/dbraw/zinc/05/08/85/587050885.db2.gz YYRXZUUKIXLPHG-RKDXNWHRSA-N -1 3 227.260 0.643 20 0 BCADHM COC(=O)c1ccc(C[N-]C(=O)C(F)F)cn1 ZINC000820513852 587052015 /nfs/dbraw/zinc/05/20/15/587052015.db2.gz RFTUPUUTDAFOKH-UHFFFAOYSA-N -1 3 244.197 0.750 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC000820523649 587052446 /nfs/dbraw/zinc/05/24/46/587052446.db2.gz PJTDTHFHXWIBGF-AEJSXWLSSA-N -1 3 240.303 0.749 20 0 BCADHM CCOCCOCCCC(=O)[N-]OCC ZINC000820523111 587052449 /nfs/dbraw/zinc/05/24/49/587052449.db2.gz DSSDTFYPBNJVPU-UHFFFAOYSA-N -1 3 219.281 0.887 20 0 BCADHM O=C(OCc1nc(C(F)F)no1)c1cnn[n-]1 ZINC000820658997 587063640 /nfs/dbraw/zinc/06/36/40/587063640.db2.gz CZPBPLNCAPXVPD-UHFFFAOYSA-N -1 3 245.145 0.482 20 0 BCADHM O=C(OCc1nc(C(F)F)no1)c1c[n-]nn1 ZINC000820658997 587063642 /nfs/dbraw/zinc/06/36/42/587063642.db2.gz CZPBPLNCAPXVPD-UHFFFAOYSA-N -1 3 245.145 0.482 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820677155 587065905 /nfs/dbraw/zinc/06/59/05/587065905.db2.gz PQEPIDDZTXEGKO-IYSWYEEDSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820677155 587065906 /nfs/dbraw/zinc/06/59/06/587065906.db2.gz PQEPIDDZTXEGKO-IYSWYEEDSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820709152 587067570 /nfs/dbraw/zinc/06/75/70/587067570.db2.gz DVXJMLKSTZOPTB-ZETCQYMHSA-N -1 3 246.274 0.819 20 0 BCADHM C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820709152 587067572 /nfs/dbraw/zinc/06/75/72/587067572.db2.gz DVXJMLKSTZOPTB-ZETCQYMHSA-N -1 3 246.274 0.819 20 0 BCADHM CON(C)C(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000820749232 587068433 /nfs/dbraw/zinc/06/84/33/587068433.db2.gz LGJVSBGNAURQJM-VIFPVBQESA-N -1 3 244.291 0.193 20 0 BCADHM COCCn1cc(CN(C)[C@@H](C)C(=O)[O-])cn1 ZINC000820738586 587069626 /nfs/dbraw/zinc/06/96/26/587069626.db2.gz KZUPJKYTQBTVAA-VIFPVBQESA-N -1 3 241.291 0.434 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000820769121 587071666 /nfs/dbraw/zinc/07/16/66/587071666.db2.gz RKISVTPCBGPQOC-QMMMGPOBSA-N -1 3 246.274 0.487 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000820769121 587071667 /nfs/dbraw/zinc/07/16/67/587071667.db2.gz RKISVTPCBGPQOC-QMMMGPOBSA-N -1 3 246.274 0.487 20 0 BCADHM CC=C(C)C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000820826214 587074994 /nfs/dbraw/zinc/07/49/94/587074994.db2.gz LCNJOOZUIIUMMV-XVNBXDOJSA-N -1 3 244.258 0.588 20 0 BCADHM CC=C(C)C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000820826214 587074997 /nfs/dbraw/zinc/07/49/97/587074997.db2.gz LCNJOOZUIIUMMV-XVNBXDOJSA-N -1 3 244.258 0.588 20 0 BCADHM COc1ccc(CN(C)CCC(=O)[O-])nc1 ZINC000820832061 587075247 /nfs/dbraw/zinc/07/52/47/587075247.db2.gz AUTDJLVBTRKIQK-UHFFFAOYSA-N -1 3 224.260 0.997 20 0 BCADHM CC[C@](C)(O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000820864127 587077869 /nfs/dbraw/zinc/07/78/69/587077869.db2.gz WUOJPPFGXREGSS-NSHDSACASA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@](C)(O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000820864127 587077871 /nfs/dbraw/zinc/07/78/71/587077871.db2.gz WUOJPPFGXREGSS-NSHDSACASA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820909570 587081522 /nfs/dbraw/zinc/08/15/22/587081522.db2.gz WYVXMTYMLCEODL-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM CC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820909570 587081525 /nfs/dbraw/zinc/08/15/25/587081525.db2.gz WYVXMTYMLCEODL-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM CCCn1nc(C)c(-c2nnn[n-]2)c1N ZINC000821147841 587098790 /nfs/dbraw/zinc/09/87/90/587098790.db2.gz JXRUGNHYOHYZRV-UHFFFAOYSA-N -1 3 207.241 0.364 20 0 BCADHM CCCn1nc(C)c(-c2nn[n-]n2)c1N ZINC000821147841 587098792 /nfs/dbraw/zinc/09/87/92/587098792.db2.gz JXRUGNHYOHYZRV-UHFFFAOYSA-N -1 3 207.241 0.364 20 0 BCADHM O=C([N-]OCCO)[C@H]1C[C@@H]1c1ccccc1 ZINC000840424571 587103680 /nfs/dbraw/zinc/10/36/80/587103680.db2.gz QDVRMVBUOTVSNO-MNOVXSKESA-N -1 3 221.256 0.830 20 0 BCADHM CCOC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821338003 587108875 /nfs/dbraw/zinc/10/88/75/587108875.db2.gz SKFBSMPQXRIUIO-UHFFFAOYSA-N -1 3 221.220 0.382 20 0 BCADHM CCOC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821338003 587108876 /nfs/dbraw/zinc/10/88/76/587108876.db2.gz SKFBSMPQXRIUIO-UHFFFAOYSA-N -1 3 221.220 0.382 20 0 BCADHM O=C([O-])C[C@@H]1CCCN(Cn2cnnc2)C1 ZINC000821515532 587124375 /nfs/dbraw/zinc/12/43/75/587124375.db2.gz CYKUCRAOVFHKDN-VIFPVBQESA-N -1 3 224.264 0.422 20 0 BCADHM O=C([O-])CCCN1CCN2C(=O)OCC[C@H]2C1 ZINC000821524241 587125299 /nfs/dbraw/zinc/12/52/99/587125299.db2.gz VHNZJVXCGXHLCH-VIFPVBQESA-N -1 3 242.275 0.378 20 0 BCADHM O=C([O-])CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000821530090 587126371 /nfs/dbraw/zinc/12/63/71/587126371.db2.gz XWMQDLGZLVMNAP-SNVBAGLBSA-N -1 3 240.303 0.594 20 0 BCADHM O=C([O-])CN1CCN(c2ccc(F)cn2)CC1 ZINC000821531246 587126761 /nfs/dbraw/zinc/12/67/61/587126761.db2.gz KPWYNLQRNNJECU-UHFFFAOYSA-N -1 3 239.250 0.427 20 0 BCADHM CCc1noc(-c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC000821553466 587128020 /nfs/dbraw/zinc/12/80/20/587128020.db2.gz JBVDRNRTXLDVEY-UHFFFAOYSA-N -1 3 231.219 0.807 20 0 BCADHM CCc1noc(-c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC000821553466 587128021 /nfs/dbraw/zinc/12/80/21/587128021.db2.gz JBVDRNRTXLDVEY-UHFFFAOYSA-N -1 3 231.219 0.807 20 0 BCADHM CN(CCO)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821602841 587132184 /nfs/dbraw/zinc/13/21/84/587132184.db2.gz XPFJSALOVDCACM-UHFFFAOYSA-N -1 3 237.238 0.434 20 0 BCADHM CN(CCO)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821602841 587132186 /nfs/dbraw/zinc/13/21/86/587132186.db2.gz XPFJSALOVDCACM-UHFFFAOYSA-N -1 3 237.238 0.434 20 0 BCADHM COCCCCC(=O)[N-]c1nnnn1C1CC1 ZINC000821667553 587134006 /nfs/dbraw/zinc/13/40/06/587134006.db2.gz PKUJBQYDHXIPQB-UHFFFAOYSA-N -1 3 239.279 0.763 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)[N-]c1nnnn1C1CC1 ZINC000821666270 587134197 /nfs/dbraw/zinc/13/41/97/587134197.db2.gz IJMNNCIFPGZPRG-VDTYLAMSSA-N -1 3 207.237 0.603 20 0 BCADHM COC(=O)CNc1cccc(-c2nnn[n-]2)c1C ZINC000821662918 587134241 /nfs/dbraw/zinc/13/42/41/587134241.db2.gz ZEDXMHBVTGZBSG-UHFFFAOYSA-N -1 3 247.258 0.760 20 0 BCADHM COC(=O)CNc1cccc(-c2nn[n-]n2)c1C ZINC000821662918 587134242 /nfs/dbraw/zinc/13/42/42/587134242.db2.gz ZEDXMHBVTGZBSG-UHFFFAOYSA-N -1 3 247.258 0.760 20 0 BCADHM C[C@H](C(=O)[N-]OC[C@@H]1CCOC1)N(C)C ZINC000822348555 587163950 /nfs/dbraw/zinc/16/39/50/587163950.db2.gz MKPZNZDSWYQGOC-RKDXNWHRSA-N -1 3 216.281 0.021 20 0 BCADHM Cc1cn(Cc2cncn2C)cc1-c1nnn[n-]1 ZINC000822384110 587165186 /nfs/dbraw/zinc/16/51/86/587165186.db2.gz IPOKECYAMPEGTK-UHFFFAOYSA-N -1 3 243.274 0.758 20 0 BCADHM Cc1cn(Cc2cncn2C)cc1-c1nn[n-]n1 ZINC000822384110 587165187 /nfs/dbraw/zinc/16/51/87/587165187.db2.gz IPOKECYAMPEGTK-UHFFFAOYSA-N -1 3 243.274 0.758 20 0 BCADHM COC(OC)C(=O)Nc1nc(C)ccc1[O-] ZINC000822521590 587173312 /nfs/dbraw/zinc/17/33/12/587173312.db2.gz SUDOPCZJPXEMBR-UHFFFAOYSA-N -1 3 226.232 0.653 20 0 BCADHM CSCCO[N-]C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000822593462 587176553 /nfs/dbraw/zinc/17/65/53/587176553.db2.gz CEHUIPZYXOHRBU-HTQZYQBOSA-N -1 3 241.316 0.924 20 0 BCADHM FCCCNCc1ccc(-c2nnn[n-]2)o1 ZINC000822736608 587183327 /nfs/dbraw/zinc/18/33/27/587183327.db2.gz ILJMVWKRDUMUCS-UHFFFAOYSA-N -1 3 225.227 0.909 20 0 BCADHM NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822879876 587191050 /nfs/dbraw/zinc/19/10/50/587191050.db2.gz IMDLUDKFWUETCQ-UHFFFAOYSA-N -1 3 236.210 0.174 20 0 BCADHM NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822879876 587191051 /nfs/dbraw/zinc/19/10/51/587191051.db2.gz IMDLUDKFWUETCQ-UHFFFAOYSA-N -1 3 236.210 0.174 20 0 BCADHM NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822880469 587191256 /nfs/dbraw/zinc/19/12/56/587191256.db2.gz PMBJGUNNSXQIGG-UHFFFAOYSA-N -1 3 225.158 0.244 20 0 BCADHM NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822880469 587191258 /nfs/dbraw/zinc/19/12/58/587191258.db2.gz PMBJGUNNSXQIGG-UHFFFAOYSA-N -1 3 225.158 0.244 20 0 BCADHM CC1(O)CC(C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000822924840 587191843 /nfs/dbraw/zinc/19/18/43/587191843.db2.gz RAGFSHZFKWIKQM-INWMGODYSA-N -1 3 229.276 0.722 20 0 BCADHM O=C(NC1CC=CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823144543 587205499 /nfs/dbraw/zinc/20/54/99/587205499.db2.gz IESDPEPPNQJUCI-UHFFFAOYSA-N -1 3 244.258 0.643 20 0 BCADHM O=C(NC1CC=CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823144543 587205501 /nfs/dbraw/zinc/20/55/01/587205501.db2.gz IESDPEPPNQJUCI-UHFFFAOYSA-N -1 3 244.258 0.643 20 0 BCADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OC(C)(C)CO ZINC000823302744 587214717 /nfs/dbraw/zinc/21/47/17/587214717.db2.gz RIDDMFMGVBFPBU-JGVFFNPUSA-N -1 3 245.275 0.004 20 0 BCADHM CCC[C@H](O)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000823306499 587215475 /nfs/dbraw/zinc/21/54/75/587215475.db2.gz NPYQDGXEWBQYRY-BQBZGAKWSA-N -1 3 216.306 0.755 20 0 BCADHM C[C@]1(C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)C=CCC1 ZINC000823380826 587219014 /nfs/dbraw/zinc/21/90/14/587219014.db2.gz TUFHQVZCAANYJR-LBPRGKRZSA-N -1 3 249.270 0.860 20 0 BCADHM CCCO[N-]C(=O)c1c[nH]c(=O)cc1OC ZINC000823608880 587232784 /nfs/dbraw/zinc/23/27/84/587232784.db2.gz PYCCAHWRFKQDSM-UHFFFAOYSA-N -1 3 226.232 0.867 20 0 BCADHM O[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000823689495 587236605 /nfs/dbraw/zinc/23/66/05/587236605.db2.gz GKRWSWGJLBJMMF-SNVBAGLBSA-N -1 3 246.274 0.445 20 0 BCADHM O[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000823689495 587236606 /nfs/dbraw/zinc/23/66/06/587236606.db2.gz GKRWSWGJLBJMMF-SNVBAGLBSA-N -1 3 246.274 0.445 20 0 BCADHM OC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000823712961 587237594 /nfs/dbraw/zinc/23/75/94/587237594.db2.gz ASFNGGNCQBHRTG-MRVPVSSYSA-N -1 3 246.274 0.080 20 0 BCADHM OC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000823712961 587237595 /nfs/dbraw/zinc/23/75/95/587237595.db2.gz ASFNGGNCQBHRTG-MRVPVSSYSA-N -1 3 246.274 0.080 20 0 BCADHM OC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC000823715791 587237649 /nfs/dbraw/zinc/23/76/49/587237649.db2.gz WJDGNMOBLMEJSD-VIFPVBQESA-N -1 3 246.274 0.223 20 0 BCADHM OC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC000823715791 587237650 /nfs/dbraw/zinc/23/76/50/587237650.db2.gz WJDGNMOBLMEJSD-VIFPVBQESA-N -1 3 246.274 0.223 20 0 BCADHM c1cc(-c2nnn[n-]2)ncc1NC[C@H]1CCCO1 ZINC000823748233 587239012 /nfs/dbraw/zinc/23/90/12/587239012.db2.gz RPCCWHNTDOUAOR-SECBINFHSA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(-c2nn[n-]n2)ncc1NC[C@H]1CCCO1 ZINC000823748233 587239014 /nfs/dbraw/zinc/23/90/14/587239014.db2.gz RPCCWHNTDOUAOR-SECBINFHSA-N -1 3 246.274 0.853 20 0 BCADHM CC(C)(CNCc1ccc(CO)o1)NC(=O)[O-] ZINC000824006015 587248264 /nfs/dbraw/zinc/24/82/64/587248264.db2.gz RZCJBBJFNPMBAA-UHFFFAOYSA-N -1 3 242.275 0.908 20 0 BCADHM CC(C)CNC(=O)Cn1ccc(-c2nnn[n-]2)c1 ZINC000824266165 587263991 /nfs/dbraw/zinc/26/39/91/587263991.db2.gz FSAMQESXMFRLSG-UHFFFAOYSA-N -1 3 248.290 0.440 20 0 BCADHM CC(C)CNC(=O)Cn1ccc(-c2nn[n-]n2)c1 ZINC000824266165 587263993 /nfs/dbraw/zinc/26/39/93/587263993.db2.gz FSAMQESXMFRLSG-UHFFFAOYSA-N -1 3 248.290 0.440 20 0 BCADHM CC(C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824306006 587265364 /nfs/dbraw/zinc/26/53/64/587265364.db2.gz ZYXXVZISUPGRDN-UHFFFAOYSA-N -1 3 220.236 0.333 20 0 BCADHM CC(C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824306006 587265365 /nfs/dbraw/zinc/26/53/65/587265365.db2.gz ZYXXVZISUPGRDN-UHFFFAOYSA-N -1 3 220.236 0.333 20 0 BCADHM COC(OC)C(=O)[N-]c1nnc(C2CC2)n1C ZINC000824379616 587268006 /nfs/dbraw/zinc/26/80/06/587268006.db2.gz LOOBIGJVFIPFEZ-UHFFFAOYSA-N -1 3 240.263 0.250 20 0 BCADHM CC(C)n1cc(CNCCNC(=O)[O-])cn1 ZINC000824515597 587272870 /nfs/dbraw/zinc/27/28/70/587272870.db2.gz RFZONSIZZGBQIW-UHFFFAOYSA-N -1 3 226.280 0.821 20 0 BCADHM C[C@@H](CC(=O)N[C@@H]1CCCN(C)C1)NC(=O)[O-] ZINC000824622619 587279681 /nfs/dbraw/zinc/27/96/81/587279681.db2.gz OJQRNGXXAQZMMU-DTWKUNHWSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@H](CC(=O)N[C@@H]1CCCN(C)C1)NC(=O)[O-] ZINC000824622622 587279960 /nfs/dbraw/zinc/27/99/60/587279960.db2.gz OJQRNGXXAQZMMU-RKDXNWHRSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@H](CC(=O)NC[C@@H](C)N(C)C)NC(=O)[O-] ZINC000824628145 587280245 /nfs/dbraw/zinc/28/02/45/587280245.db2.gz FEPIENCWOOTZCE-HTQZYQBOSA-N -1 3 231.296 0.099 20 0 BCADHM C[C@H](O)C(C)(C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824680248 587282550 /nfs/dbraw/zinc/28/25/50/587282550.db2.gz ZULCZLBGPNRLGQ-ZETCQYMHSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](O)C(C)(C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824680248 587282552 /nfs/dbraw/zinc/28/25/52/587282552.db2.gz ZULCZLBGPNRLGQ-ZETCQYMHSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](C[C@H](C)O)Nc1ncccc1-c1nnn[n-]1 ZINC000824699014 587283330 /nfs/dbraw/zinc/28/33/30/587283330.db2.gz PEOHBAVDRQFFGL-SFYZADRCSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](C[C@H](C)O)Nc1ncccc1-c1nn[n-]n1 ZINC000824699014 587283332 /nfs/dbraw/zinc/28/33/32/587283332.db2.gz PEOHBAVDRQFFGL-SFYZADRCSA-N -1 3 248.290 0.833 20 0 BCADHM O=C([N-]OCC1CCC1)C1=CCS(=O)(=O)C1 ZINC000824735325 587284958 /nfs/dbraw/zinc/28/49/58/587284958.db2.gz DNVOQDGLQJSPKC-UHFFFAOYSA-N -1 3 245.300 0.189 20 0 BCADHM C[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000824844300 587289838 /nfs/dbraw/zinc/28/98/38/587289838.db2.gz VIHDIRYQWULYJU-LLVKDONJSA-N -1 3 246.274 0.223 20 0 BCADHM C[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000824844300 587289839 /nfs/dbraw/zinc/28/98/39/587289839.db2.gz VIHDIRYQWULYJU-LLVKDONJSA-N -1 3 246.274 0.223 20 0 BCADHM C[C@@H]1C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824900005 587292628 /nfs/dbraw/zinc/29/26/28/587292628.db2.gz RHNYFQSARSQFKC-VDTYLAMSSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@@H]1C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824900005 587292629 /nfs/dbraw/zinc/29/26/29/587292629.db2.gz RHNYFQSARSQFKC-VDTYLAMSSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC000824991580 587297510 /nfs/dbraw/zinc/29/75/10/587297510.db2.gz CJTCMCISOHNFQP-XCBNKYQSSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC000824991580 587297512 /nfs/dbraw/zinc/29/75/12/587297512.db2.gz CJTCMCISOHNFQP-XCBNKYQSSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC000824992269 587297771 /nfs/dbraw/zinc/29/77/71/587297771.db2.gz LGXDXYPWCUKLAW-IONNQARKSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC000824992269 587297773 /nfs/dbraw/zinc/29/77/73/587297773.db2.gz LGXDXYPWCUKLAW-IONNQARKSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2cnccc2-c2nnn[n-]2)CCO1 ZINC000825000546 587298232 /nfs/dbraw/zinc/29/82/32/587298232.db2.gz SASVABRIGXSSBE-QMMMGPOBSA-N -1 3 246.274 0.487 20 0 BCADHM C[C@H]1CN(c2cnccc2-c2nn[n-]n2)CCO1 ZINC000825000546 587298233 /nfs/dbraw/zinc/29/82/33/587298233.db2.gz SASVABRIGXSSBE-QMMMGPOBSA-N -1 3 246.274 0.487 20 0 BCADHM C[C@H]1OCC[C@@H]1NCc1ccc(-c2nnn[n-]2)o1 ZINC000825021874 587299124 /nfs/dbraw/zinc/29/91/24/587299124.db2.gz VADUKUWRQVWHPG-APPZFPTMSA-N -1 3 249.274 0.727 20 0 BCADHM C[C@H]1OCC[C@@H]1NCc1ccc(-c2nn[n-]n2)o1 ZINC000825021874 587299125 /nfs/dbraw/zinc/29/91/25/587299125.db2.gz VADUKUWRQVWHPG-APPZFPTMSA-N -1 3 249.274 0.727 20 0 BCADHM C[C@@H]1OCC[C@H]1Nc1cnccc1-c1nnn[n-]1 ZINC000825021445 587299279 /nfs/dbraw/zinc/29/92/79/587299279.db2.gz QRLGGUVHVFTCCD-IONNQARKSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@@H]1OCC[C@H]1Nc1cnccc1-c1nn[n-]n1 ZINC000825021445 587299281 /nfs/dbraw/zinc/29/92/81/587299281.db2.gz QRLGGUVHVFTCCD-IONNQARKSA-N -1 3 246.274 0.851 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H](O)C1CC1)C2 ZINC000825041281 587299934 /nfs/dbraw/zinc/29/99/34/587299934.db2.gz XVTXQFSCIVCNLV-JTQLQIEISA-N -1 3 249.270 0.104 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@]12C[C@H]1CCC2 ZINC000825277988 587312947 /nfs/dbraw/zinc/31/29/47/587312947.db2.gz XLTROLIMQRIKOC-GIPNMCIBSA-N -1 3 249.314 0.805 20 0 BCADHM CCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825465596 587320458 /nfs/dbraw/zinc/32/04/58/587320458.db2.gz NVTZSZMNODGSHY-VIFPVBQESA-N -1 3 247.258 0.036 20 0 BCADHM CCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825465596 587320460 /nfs/dbraw/zinc/32/04/60/587320460.db2.gz NVTZSZMNODGSHY-VIFPVBQESA-N -1 3 247.258 0.036 20 0 BCADHM CCOCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC000825595319 587326504 /nfs/dbraw/zinc/32/65/04/587326504.db2.gz YKSWEEJWWGFABT-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM CCOCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC000825595319 587326506 /nfs/dbraw/zinc/32/65/06/587326506.db2.gz YKSWEEJWWGFABT-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM C/C(=C\CN(C)CCN1CCOCC1)C(=O)[O-] ZINC000825729656 587334637 /nfs/dbraw/zinc/33/46/37/587334637.db2.gz JJECLQRADDKHEV-QDEBKDIKSA-N -1 3 242.319 0.281 20 0 BCADHM C/C(=C/CN1CCN(C[C@H](C)O)CC1)C(=O)[O-] ZINC000825741616 587335746 /nfs/dbraw/zinc/33/57/46/587335746.db2.gz QQQKCSNPWHWDOF-CGXZDELUSA-N -1 3 242.319 0.016 20 0 BCADHM C/C(=C\CN1CCO[C@H](CN(C)C)C1)C(=O)[O-] ZINC000825747789 587336327 /nfs/dbraw/zinc/33/63/27/587336327.db2.gz YTWZLXQGIGMWLR-LLMHMKPQSA-N -1 3 242.319 0.280 20 0 BCADHM CC(=O)N[C@H]1CCCN(C/C=C(/C)C(=O)[O-])C1 ZINC000825871656 587343093 /nfs/dbraw/zinc/34/30/93/587343093.db2.gz USMAYEXOJMZRLX-GWZUUTHWSA-N -1 3 240.303 0.618 20 0 BCADHM CN(CCO)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825941845 587346679 /nfs/dbraw/zinc/34/66/79/587346679.db2.gz OZOYOMJGRZLRLI-UHFFFAOYSA-N -1 3 239.304 0.352 20 0 BCADHM CN(CCO)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825941845 587346680 /nfs/dbraw/zinc/34/66/80/587346680.db2.gz OZOYOMJGRZLRLI-UHFFFAOYSA-N -1 3 239.304 0.352 20 0 BCADHM C[C@H]1CCN(CCNC(=O)CCNC(=O)[O-])C1 ZINC000825951162 587346961 /nfs/dbraw/zinc/34/69/61/587346961.db2.gz SKDBXTRGTAOTQY-VIFPVBQESA-N -1 3 243.307 0.102 20 0 BCADHM COC[C@@H](C)CNc1cnccc1-c1nnn[n-]1 ZINC000826148827 587351337 /nfs/dbraw/zinc/35/13/37/587351337.db2.gz RMVUNRDGIXCPPB-QMMMGPOBSA-N -1 3 248.290 0.956 20 0 BCADHM COC[C@@H](C)CNc1cnccc1-c1nn[n-]n1 ZINC000826148827 587351338 /nfs/dbraw/zinc/35/13/38/587351338.db2.gz RMVUNRDGIXCPPB-QMMMGPOBSA-N -1 3 248.290 0.956 20 0 BCADHM Cc1cc(Cn2ccc(-c3nnn[n-]3)c2)nn1C ZINC000826268364 587351632 /nfs/dbraw/zinc/35/16/32/587351632.db2.gz UGRIFQXTARZYBC-UHFFFAOYSA-N -1 3 243.274 0.758 20 0 BCADHM Cc1cc(Cn2ccc(-c3nn[n-]n3)c2)nn1C ZINC000826268364 587351633 /nfs/dbraw/zinc/35/16/33/587351633.db2.gz UGRIFQXTARZYBC-UHFFFAOYSA-N -1 3 243.274 0.758 20 0 BCADHM Cc1ccnc(N[C@H](C)CO)c1-c1nnn[n-]1 ZINC000826312237 587352023 /nfs/dbraw/zinc/35/20/23/587352023.db2.gz ZFBXJXGOAXYRST-SSDOTTSWSA-N -1 3 234.263 0.363 20 0 BCADHM Cc1ccnc(N[C@H](C)CO)c1-c1nn[n-]n1 ZINC000826312237 587352024 /nfs/dbraw/zinc/35/20/24/587352024.db2.gz ZFBXJXGOAXYRST-SSDOTTSWSA-N -1 3 234.263 0.363 20 0 BCADHM Cc1ccnc(N[C@@H](C)CO)c1-c1nnn[n-]1 ZINC000826312238 587352367 /nfs/dbraw/zinc/35/23/67/587352367.db2.gz ZFBXJXGOAXYRST-ZETCQYMHSA-N -1 3 234.263 0.363 20 0 BCADHM Cc1ccnc(N[C@@H](C)CO)c1-c1nn[n-]n1 ZINC000826312238 587352368 /nfs/dbraw/zinc/35/23/68/587352368.db2.gz ZFBXJXGOAXYRST-ZETCQYMHSA-N -1 3 234.263 0.363 20 0 BCADHM O=C(OCC1CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826462802 587352855 /nfs/dbraw/zinc/35/28/55/587352855.db2.gz JIMIWTXDCGVPTK-UHFFFAOYSA-N -1 3 233.231 0.762 20 0 BCADHM O=C(OCC1CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826462802 587352856 /nfs/dbraw/zinc/35/28/56/587352856.db2.gz JIMIWTXDCGVPTK-UHFFFAOYSA-N -1 3 233.231 0.762 20 0 BCADHM O=C(Nc1ccncc1-c1nnn[n-]1)C1=CCC1 ZINC000826458979 587352964 /nfs/dbraw/zinc/35/29/64/587352964.db2.gz PBQGVBYPRCMQJR-UHFFFAOYSA-N -1 3 242.242 0.342 20 0 BCADHM O=C(Nc1ccncc1-c1nn[n-]n1)C1=CCC1 ZINC000826458979 587352965 /nfs/dbraw/zinc/35/29/65/587352965.db2.gz PBQGVBYPRCMQJR-UHFFFAOYSA-N -1 3 242.242 0.342 20 0 BCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC=CCC1 ZINC000826470537 587353177 /nfs/dbraw/zinc/35/31/77/587353177.db2.gz TYEDZIGVVWGKAU-UHFFFAOYSA-N -1 3 244.258 0.597 20 0 BCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC=CCC1 ZINC000826470537 587353178 /nfs/dbraw/zinc/35/31/78/587353178.db2.gz TYEDZIGVVWGKAU-UHFFFAOYSA-N -1 3 244.258 0.597 20 0 BCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCCC1 ZINC000826472154 587353305 /nfs/dbraw/zinc/35/33/05/587353305.db2.gz ZJUNABNAAFYWLT-UHFFFAOYSA-N -1 3 246.274 0.821 20 0 BCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCCC1 ZINC000826472154 587353306 /nfs/dbraw/zinc/35/33/06/587353306.db2.gz ZJUNABNAAFYWLT-UHFFFAOYSA-N -1 3 246.274 0.821 20 0 BCADHM c1cc(NCCN2CCC2)nc(-c2nnn[n-]2)c1 ZINC000826516965 587353664 /nfs/dbraw/zinc/35/36/64/587353664.db2.gz KGOCBBOVOFLITJ-UHFFFAOYSA-N -1 3 245.290 0.379 20 0 BCADHM c1cc(NCCN2CCC2)nc(-c2nn[n-]n2)c1 ZINC000826516965 587353665 /nfs/dbraw/zinc/35/36/65/587353665.db2.gz KGOCBBOVOFLITJ-UHFFFAOYSA-N -1 3 245.290 0.379 20 0 BCADHM c1cc(Cn2ccc(-c3nnn[n-]3)c2)on1 ZINC000826516337 587353836 /nfs/dbraw/zinc/35/38/36/587353836.db2.gz HNTAOGHFRRLIQG-UHFFFAOYSA-N -1 3 216.204 0.705 20 0 BCADHM c1cc(Cn2ccc(-c3nn[n-]n3)c2)on1 ZINC000826516337 587353837 /nfs/dbraw/zinc/35/38/37/587353837.db2.gz HNTAOGHFRRLIQG-UHFFFAOYSA-N -1 3 216.204 0.705 20 0 BCADHM CC[C@@H](NCCNC(=O)[O-])c1cnn(C)c1 ZINC000826619765 587356641 /nfs/dbraw/zinc/35/66/41/587356641.db2.gz MOKZWOJIRILTDG-SECBINFHSA-N -1 3 226.280 0.728 20 0 BCADHM CC[C@H](O)CN1CCN(C(=O)[O-])CC1(C)C ZINC000826625120 587356835 /nfs/dbraw/zinc/35/68/35/587356835.db2.gz BFQXUNCEDYLTFJ-VIFPVBQESA-N -1 3 230.308 0.832 20 0 BCADHM CC[C@H](O)CN1CCC(NC(=O)[O-])CC1 ZINC000826626243 587356843 /nfs/dbraw/zinc/35/68/43/587356843.db2.gz TTYNQBLCKNQBDP-VIFPVBQESA-N -1 3 216.281 0.489 20 0 BCADHM CC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826625806 587356863 /nfs/dbraw/zinc/35/68/63/587356863.db2.gz JZQLJGRRBKBXMZ-OUAUKWLOSA-N -1 3 242.319 0.974 20 0 BCADHM CC(C)(O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000826636942 587357546 /nfs/dbraw/zinc/35/75/46/587357546.db2.gz WHIXTXCQBQJRFS-VIFPVBQESA-N -1 3 205.229 0.256 20 0 BCADHM O=C(CC1CSC1)Nc1ccncc1[O-] ZINC000867042647 587360739 /nfs/dbraw/zinc/36/07/39/587360739.db2.gz NLKSQBVUQVCXML-UHFFFAOYSA-N -1 3 224.285 0.901 20 0 BCADHM CCCCN1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000826837404 587363895 /nfs/dbraw/zinc/36/38/95/587363895.db2.gz YNBLTWDZPBJJOL-JTQLQIEISA-N -1 3 229.324 0.670 20 0 BCADHM CC(C)N(C)CC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826930179 587365602 /nfs/dbraw/zinc/36/56/02/587365602.db2.gz GVGVEVWXSRQZNI-LBPRGKRZSA-N -1 3 242.319 0.650 20 0 BCADHM CCN(C)C(=O)CCN(C)[C@@H](C)CNC(=O)[O-] ZINC000826983430 587366448 /nfs/dbraw/zinc/36/64/48/587366448.db2.gz PPBYAGZZOULVAR-VIFPVBQESA-N -1 3 245.323 0.443 20 0 BCADHM Cc1nn(C)cc1CC(=O)[N-]OCC(C)C ZINC000827213941 587373072 /nfs/dbraw/zinc/37/30/72/587373072.db2.gz ZJPDLPBESLHTJV-UHFFFAOYSA-N -1 3 225.292 0.975 20 0 BCADHM CC(C)[C@@H](CN(C)C)NC(=O)[C@H](C)CC(=O)[O-] ZINC000827271041 587374628 /nfs/dbraw/zinc/37/46/28/587374628.db2.gz FSCVOAXDKQZJFJ-NXEZZACHSA-N -1 3 244.335 0.800 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000827284424 587375088 /nfs/dbraw/zinc/37/50/88/587375088.db2.gz ZCUYTIQLWPIPHO-BDAKNGLRSA-N -1 3 240.303 0.450 20 0 BCADHM C[C@H](CNC(=O)[C@@H](C)CC(=O)[O-])N(C)C ZINC000827283369 587375156 /nfs/dbraw/zinc/37/51/56/587375156.db2.gz VMDVLNXJXCMIOG-JGVFFNPUSA-N -1 3 216.281 0.164 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)NCCN1CCCCC1 ZINC000827289738 587375385 /nfs/dbraw/zinc/37/53/85/587375385.db2.gz AKDUQRCFYVYNNM-JTQLQIEISA-N -1 3 242.319 0.699 20 0 BCADHM CCOC(=O)CCN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827305853 587376276 /nfs/dbraw/zinc/37/62/76/587376276.db2.gz MSBRVPFLIMLOTP-SECBINFHSA-N -1 3 244.291 0.624 20 0 BCADHM CCOC[C@H](O)CN1CCC[C@H]1CNC(=O)[O-] ZINC000827390319 587379393 /nfs/dbraw/zinc/37/93/93/587379393.db2.gz ZAIKDVFXRXEMCS-VHSXEESVSA-N -1 3 246.307 0.116 20 0 BCADHM CC[C@H](NC(=O)[O-])C(=O)N1CCNC(C)(C)C1 ZINC000827519920 587385707 /nfs/dbraw/zinc/38/57/07/587385707.db2.gz ZSBZABQBIHQVQV-QMMMGPOBSA-N -1 3 243.307 0.243 20 0 BCADHM CCn1cc([C@@H](C)NCCNC(=O)[O-])cn1 ZINC000827700904 587397213 /nfs/dbraw/zinc/39/72/13/587397213.db2.gz QRABXFYFBGDMOJ-MRVPVSSYSA-N -1 3 226.280 0.821 20 0 BCADHM CN(C(=O)[O-])[C@@H]1CCCN(CCO)C1 ZINC000827821716 587404060 /nfs/dbraw/zinc/40/40/60/587404060.db2.gz BYHCLJBUTCCKHV-MRVPVSSYSA-N -1 3 202.254 0.053 20 0 BCADHM CN(C(=O)[O-])[C@H]1CCN(CCn2cccn2)C1 ZINC000827889479 587408435 /nfs/dbraw/zinc/40/84/35/587408435.db2.gz IGBPYXLFMWILOD-JTQLQIEISA-N -1 3 238.291 0.567 20 0 BCADHM CN(C)C(=O)CCN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827953556 587413141 /nfs/dbraw/zinc/41/31/41/587413141.db2.gz JFURVSCASDKKNL-VIFPVBQESA-N -1 3 243.307 0.149 20 0 BCADHM C[C@@H]1CC[C@H](C)CN1CC(=O)NCCC(=O)[O-] ZINC000828214355 587424327 /nfs/dbraw/zinc/42/43/27/587424327.db2.gz LIHXAMOBYUYBFI-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM CN(C[C@@H]1CCCN1CCCO)C(=O)[O-] ZINC000828222688 587425146 /nfs/dbraw/zinc/42/51/46/587425146.db2.gz CZWHHELYLGMLOI-VIFPVBQESA-N -1 3 216.281 0.443 20 0 BCADHM CN(C[C@@H]1CCCO1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828236217 587426859 /nfs/dbraw/zinc/42/68/59/587426859.db2.gz ODSAXGZHZAGQHC-UWVGGRQHSA-N -1 3 228.292 0.850 20 0 BCADHM C[C@@H]1CCN(CC(=O)NCCC(=O)[O-])[C@H]1C ZINC000828286733 587431870 /nfs/dbraw/zinc/43/18/70/587431870.db2.gz ZGJNYPVMIJJKGH-BDAKNGLRSA-N -1 3 228.292 0.308 20 0 BCADHM CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000828333478 587436448 /nfs/dbraw/zinc/43/64/48/587436448.db2.gz IDHJDKWBBVPOKO-VHSXEESVSA-N -1 3 242.319 0.506 20 0 BCADHM CN(CCn1cccn1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828345994 587437600 /nfs/dbraw/zinc/43/76/00/587437600.db2.gz OMRMPAGWMCKFRB-SNVBAGLBSA-N -1 3 238.291 0.567 20 0 BCADHM C[C@H]1CN(CC(=O)NCCC(=O)[O-])C[C@@H]1C ZINC000828439146 587442498 /nfs/dbraw/zinc/44/24/98/587442498.db2.gz HHXFYZHFTVYMLP-IUCAKERBSA-N -1 3 228.292 0.165 20 0 BCADHM CC[C@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])N(C)C ZINC000828587663 587451689 /nfs/dbraw/zinc/45/16/89/587451689.db2.gz WAMRIISPMIDBDX-RKDXNWHRSA-N -1 3 230.308 0.506 20 0 BCADHM CC[C@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)N(C)C ZINC000828586271 587451848 /nfs/dbraw/zinc/45/18/48/587451848.db2.gz CLICNPSRJSASHC-VHSXEESVSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000828595439 587452244 /nfs/dbraw/zinc/45/22/44/587452244.db2.gz YNTNSVSXWONFGU-IUCAKERBSA-N -1 3 249.332 0.216 20 0 BCADHM COC(=O)[C@@H](C)CN(CCNC(=O)[O-])C1CC1 ZINC000828600844 587452741 /nfs/dbraw/zinc/45/27/41/587452741.db2.gz LLFQHSNZOBSHGC-QMMMGPOBSA-N -1 3 244.291 0.528 20 0 BCADHM CC[C@H](C(=O)OC)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000828603187 587452840 /nfs/dbraw/zinc/45/28/40/587452840.db2.gz FJMAHPCKHHNXJK-LDYMZIIASA-N -1 3 229.276 0.735 20 0 BCADHM COC(=O)C[C@@H]1CCCCN1CCNC(=O)[O-] ZINC000828655110 587455611 /nfs/dbraw/zinc/45/56/11/587455611.db2.gz BDLJPSUIHJSCME-VIFPVBQESA-N -1 3 244.291 0.672 20 0 BCADHM CC[C@@](C)(CC(=O)[O-])NCc1cn(C)nn1 ZINC000828665075 587455822 /nfs/dbraw/zinc/45/58/22/587455822.db2.gz NZYDQHQIWBYYBD-JTQLQIEISA-N -1 3 226.280 0.548 20 0 BCADHM CO[C@@H](C)[C@H](C)NC1CN(C(=O)[O-])C1 ZINC000828824322 587464670 /nfs/dbraw/zinc/46/46/70/587464670.db2.gz QHUPVZAWIWYONM-BQBZGAKWSA-N -1 3 202.254 0.362 20 0 BCADHM COC[C@@H](C)N1CCC[C@H](NC(=O)[O-])C1 ZINC000828896555 587469679 /nfs/dbraw/zinc/46/96/79/587469679.db2.gz KLWONBPWDWBYNS-BDAKNGLRSA-N -1 3 216.281 0.753 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1ccnn1C ZINC000828963038 587475781 /nfs/dbraw/zinc/47/57/81/587475781.db2.gz MKTHJBWZIZAHAO-ZCFIWIBFSA-N -1 3 220.236 0.029 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1ccnn1C ZINC000828963038 587475782 /nfs/dbraw/zinc/47/57/82/587475782.db2.gz MKTHJBWZIZAHAO-ZCFIWIBFSA-N -1 3 220.236 0.029 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1ccnn1C ZINC000828963038 587475783 /nfs/dbraw/zinc/47/57/83/587475783.db2.gz MKTHJBWZIZAHAO-ZCFIWIBFSA-N -1 3 220.236 0.029 20 0 BCADHM COCCN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000828992981 587478003 /nfs/dbraw/zinc/47/80/03/587478003.db2.gz UEALCAIYJRVWTP-VIFPVBQESA-N -1 3 216.281 0.707 20 0 BCADHM CCCN(C)CC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000829459486 587498711 /nfs/dbraw/zinc/49/87/11/587498711.db2.gz XMLFYBAJCOTBRO-JTQLQIEISA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@@H](C)CN1C(C)=C([O-])N(C)S1(=O)=O ZINC000829558890 587503335 /nfs/dbraw/zinc/50/33/35/587503335.db2.gz CWKQWEBKRSAMGO-HTQZYQBOSA-N -1 3 234.321 0.440 20 0 BCADHM CC[C@H](C)CN1C(C)=C([O-])N(C)S1(=O)=O ZINC000829558891 587503615 /nfs/dbraw/zinc/50/36/15/587503615.db2.gz CWKQWEBKRSAMGO-JGVFFNPUSA-N -1 3 234.321 0.440 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CC1CCC1 ZINC000829562155 587503734 /nfs/dbraw/zinc/50/37/34/587503734.db2.gz ZEHFUGLTMULFNF-SSDOTTSWSA-N -1 3 232.305 0.194 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CC1CCCC1 ZINC000829562182 587504048 /nfs/dbraw/zinc/50/40/48/587504048.db2.gz ZPQLNKOJLWRPCR-MRVPVSSYSA-N -1 3 246.332 0.584 20 0 BCADHM CCN(C)C(=O)CCN1CC[C@](F)(C(=O)[O-])C1 ZINC000829608617 587505765 /nfs/dbraw/zinc/50/57/65/587505765.db2.gz NGWMQMGXQLEGEM-LLVKDONJSA-N -1 3 246.282 0.353 20 0 BCADHM CCN(CC(=O)[O-])C(=O)CN1[C@H](C)CC[C@H]1C ZINC000829628506 587506653 /nfs/dbraw/zinc/50/66/53/587506653.db2.gz CTWBHNXCEKCPTB-NXEZZACHSA-N -1 3 242.319 0.792 20 0 BCADHM COCCO[N-]C(=O)CC1CCN(OC)CC1 ZINC000829682901 587509358 /nfs/dbraw/zinc/50/93/58/587509358.db2.gz NVXCXBZSFLNUMB-UHFFFAOYSA-N -1 3 246.307 0.344 20 0 BCADHM CCN(C/C=C(\C)C(=O)OC)CC(=O)[O-] ZINC000829692161 587509739 /nfs/dbraw/zinc/50/97/39/587509739.db2.gz BGHSHHCAOHTUHK-VMPITWQZSA-N -1 3 215.249 0.512 20 0 BCADHM CCN(C/C=C(/C)C(=O)OC)CC(=O)[O-] ZINC000829692163 587509885 /nfs/dbraw/zinc/50/98/85/587509885.db2.gz BGHSHHCAOHTUHK-YVMONPNESA-N -1 3 215.249 0.512 20 0 BCADHM CCN1CCC(NC(=O)[C@H](C)CC(=O)[O-])CC1 ZINC000829760852 587514304 /nfs/dbraw/zinc/51/43/04/587514304.db2.gz XKPYVIVBOOYNHR-SECBINFHSA-N -1 3 242.319 0.698 20 0 BCADHM CC(C)(C(=O)[N-]OCCO)C1CCC1 ZINC000829764075 587514723 /nfs/dbraw/zinc/51/47/23/587514723.db2.gz VUBTUUHDEYGYOB-UHFFFAOYSA-N -1 3 201.266 0.853 20 0 BCADHM CCNC(=O)CN[C@@H](C(=O)[O-])[C@H](C)CC ZINC000829790235 587517034 /nfs/dbraw/zinc/51/70/34/587517034.db2.gz JMFVOPWMPLNSOH-VXNVDRBHSA-N -1 3 216.281 0.211 20 0 BCADHM CN1CC[C@H]1CNC(=O)c1cccc(F)c1[O-] ZINC000830135134 587537929 /nfs/dbraw/zinc/53/79/29/587537929.db2.gz KZQHUWYQIGEQEA-QMMMGPOBSA-N -1 3 238.262 0.965 20 0 BCADHM CC[C@@H](O)CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000830174479 587540130 /nfs/dbraw/zinc/54/01/30/587540130.db2.gz MTXPWQPTQURSSD-APPZFPTMSA-N -1 3 205.229 0.256 20 0 BCADHM CCOc1nc(NC(=O)[C@@H](CC)OC)n[n-]1 ZINC000830396955 587549245 /nfs/dbraw/zinc/54/92/45/587549245.db2.gz ANGDJTNVWWKTFE-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H](CC)OC)[n-]1 ZINC000830396955 587549247 /nfs/dbraw/zinc/54/92/47/587549247.db2.gz ANGDJTNVWWKTFE-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H](CC)OC)n1 ZINC000830396955 587549248 /nfs/dbraw/zinc/54/92/48/587549248.db2.gz ANGDJTNVWWKTFE-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nnc(NC(=O)C(=O)C(C)(C)C)[n-]1 ZINC000830397082 587549743 /nfs/dbraw/zinc/54/97/43/587549743.db2.gz ILQSPTFDFYEKDW-UHFFFAOYSA-N -1 3 240.263 0.757 20 0 BCADHM CCOc1nc(NC(=O)C(=O)C(C)(C)C)n[n-]1 ZINC000830397082 587549745 /nfs/dbraw/zinc/54/97/45/587549745.db2.gz ILQSPTFDFYEKDW-UHFFFAOYSA-N -1 3 240.263 0.757 20 0 BCADHM CCOc1n[n-]c(NC(=O)C(=O)C(C)(C)C)n1 ZINC000830397082 587549747 /nfs/dbraw/zinc/54/97/47/587549747.db2.gz ILQSPTFDFYEKDW-UHFFFAOYSA-N -1 3 240.263 0.757 20 0 BCADHM CCCCOCC(=O)Nc1n[n-]c(OCC)n1 ZINC000830397410 587549881 /nfs/dbraw/zinc/54/98/81/587549881.db2.gz VFRPLEZABWSXDX-UHFFFAOYSA-N -1 3 242.279 0.959 20 0 BCADHM CCCCOCC(=O)Nc1nnc(OCC)[n-]1 ZINC000830397410 587549883 /nfs/dbraw/zinc/54/98/83/587549883.db2.gz VFRPLEZABWSXDX-UHFFFAOYSA-N -1 3 242.279 0.959 20 0 BCADHM CCCCOCC(=O)Nc1nc(OCC)n[n-]1 ZINC000830397410 587549884 /nfs/dbraw/zinc/54/98/84/587549884.db2.gz VFRPLEZABWSXDX-UHFFFAOYSA-N -1 3 242.279 0.959 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CCC(=O)C2)n[n-]1 ZINC000830404083 587550134 /nfs/dbraw/zinc/55/01/34/587550134.db2.gz RTDOTWALWPUTKS-LURJTMIESA-N -1 3 238.247 0.511 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CCC(=O)C2)[n-]1 ZINC000830404083 587550136 /nfs/dbraw/zinc/55/01/36/587550136.db2.gz RTDOTWALWPUTKS-LURJTMIESA-N -1 3 238.247 0.511 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CCC(=O)C2)n1 ZINC000830404083 587550137 /nfs/dbraw/zinc/55/01/37/587550137.db2.gz RTDOTWALWPUTKS-LURJTMIESA-N -1 3 238.247 0.511 20 0 BCADHM CCC[C@@H](OC)C(=O)Nc1n[n-]c(OCC)n1 ZINC000830403684 587550403 /nfs/dbraw/zinc/55/04/03/587550403.db2.gz JSDYOFOPZMRXOG-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCC[C@@H](OC)C(=O)Nc1nnc(OCC)[n-]1 ZINC000830403684 587550404 /nfs/dbraw/zinc/55/04/04/587550404.db2.gz JSDYOFOPZMRXOG-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCC[C@@H](OC)C(=O)Nc1nc(OCC)n[n-]1 ZINC000830403684 587550405 /nfs/dbraw/zinc/55/04/05/587550405.db2.gz JSDYOFOPZMRXOG-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CN(C)C1(C(=O)NCC(C)(C)C(=O)[O-])CCC1 ZINC000830584841 587559000 /nfs/dbraw/zinc/55/90/00/587559000.db2.gz DCMXBBMMCLWRLO-UHFFFAOYSA-N -1 3 242.319 0.698 20 0 BCADHM Cc1ccsc1[C@@H](CO)NCCNC(=O)[O-] ZINC000830615839 587560337 /nfs/dbraw/zinc/56/03/37/587560337.db2.gz DIPRUOPUMRZPMD-MRVPVSSYSA-N -1 3 244.316 0.947 20 0 BCADHM CN(CC(=O)[O-])C(=O)CN(C)C1CCC1 ZINC000830691957 587564001 /nfs/dbraw/zinc/56/40/01/587564001.db2.gz HCGGSGLIDXYVEW-UHFFFAOYSA-N -1 3 214.265 0.014 20 0 BCADHM CN(C)C1(C(=O)N(C)CCCC(=O)[O-])CCC1 ZINC000830763217 587568752 /nfs/dbraw/zinc/56/87/52/587568752.db2.gz FEVJOIFRBYOJON-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM Cc1nn(C)cc1[C@H](C)NCCN(C)C(=O)[O-] ZINC000830864592 587574620 /nfs/dbraw/zinc/57/46/20/587574620.db2.gz HJYFTQFHRZIYAH-QMMMGPOBSA-N -1 3 240.307 0.989 20 0 BCADHM Cc1noc(CCN[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000830924390 587577671 /nfs/dbraw/zinc/57/76/71/587577671.db2.gz BBDDRYUTMGTCHB-QMMMGPOBSA-N -1 3 240.263 0.262 20 0 BCADHM CN1CCC[C@@H]1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000830935281 587577874 /nfs/dbraw/zinc/57/78/74/587577874.db2.gz USUXVPWHKZSQEM-SKDRFNHKSA-N -1 3 240.303 0.404 20 0 BCADHM CN1CCC[C@H]1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000830935280 587577894 /nfs/dbraw/zinc/57/78/94/587577894.db2.gz USUXVPWHKZSQEM-JOYOIKCWSA-N -1 3 240.303 0.404 20 0 BCADHM CO[C@H]1CCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000831038016 587583953 /nfs/dbraw/zinc/58/39/53/587583953.db2.gz BAVFHUVFCNLVKP-VIFPVBQESA-N -1 3 236.271 0.835 20 0 BCADHM COC(=O)/C(C)=C/CN1CCC[C@@H](C(=O)[O-])C1 ZINC000831053785 587584150 /nfs/dbraw/zinc/58/41/50/587584150.db2.gz UUSODPHOBPVZOS-NAZIUFLLSA-N -1 3 241.287 0.902 20 0 BCADHM COC(=O)/C(C)=C\CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000831052880 587584218 /nfs/dbraw/zinc/58/42/18/587584218.db2.gz DMCLJOMCCJRTBN-YXCTTXFESA-N -1 3 241.287 0.758 20 0 BCADHM Cn1nccc1CN[C@@H]1CCCN(C(=O)[O-])C1 ZINC000831059845 587584474 /nfs/dbraw/zinc/58/44/74/587584474.db2.gz YQLLPFCBTOBDQT-SECBINFHSA-N -1 3 238.291 0.652 20 0 BCADHM Cn1nncc1CNC[C@H]1CCCN1C(=O)[O-] ZINC000831066838 587584961 /nfs/dbraw/zinc/58/49/61/587584961.db2.gz ZWXXQGLHKOLJBH-MRVPVSSYSA-N -1 3 239.279 0.047 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCNC1=O ZINC000831581179 587621113 /nfs/dbraw/zinc/62/11/13/587621113.db2.gz KEGZHBBUETUYJE-MRVPVSSYSA-N -1 3 234.255 0.775 20 0 BCADHM COC[C@H](C)N1CC[C@](F)(C(=O)[O-])C1 ZINC000831643902 587625595 /nfs/dbraw/zinc/62/55/95/587625595.db2.gz RPWDNQQEQMHTOI-IONNQARKSA-N -1 3 205.229 0.520 20 0 BCADHM COCC1(NCc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000831660545 587626554 /nfs/dbraw/zinc/62/65/54/587626554.db2.gz MQVJQHYTIRFHFT-UHFFFAOYSA-N -1 3 224.260 0.982 20 0 BCADHM CC1=NO[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000832009294 587642656 /nfs/dbraw/zinc/64/26/56/587642656.db2.gz BQIOTCHQQPGPBJ-MRVPVSSYSA-N -1 3 221.216 0.891 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CCC2OCCCO2)C1 ZINC000832386817 587657201 /nfs/dbraw/zinc/65/72/01/587657201.db2.gz NTYZHRRQOQBNNM-SECBINFHSA-N -1 3 244.291 0.481 20 0 BCADHM O=C(Cc1ccncc1Cl)[N-]OCCO ZINC000832405356 587658528 /nfs/dbraw/zinc/65/85/28/587658528.db2.gz ISOHMHRPJYNEPK-UHFFFAOYSA-N -1 3 230.651 0.318 20 0 BCADHM CCON1CCC(CC(=O)[N-]OCCO)CC1 ZINC000832405156 587658748 /nfs/dbraw/zinc/65/87/48/587658748.db2.gz HZEATNJDZFPLLL-UHFFFAOYSA-N -1 3 246.307 0.080 20 0 BCADHM C[C@H](CC(=O)[N-]OCCO)[C@@H]1CCCO1 ZINC000832411886 587659109 /nfs/dbraw/zinc/65/91/09/587659109.db2.gz KNBOBAZQFDAFMT-BDAKNGLRSA-N -1 3 217.265 0.232 20 0 BCADHM O=C([O-])NCCN1CCC[C@H]1Cn1cccn1 ZINC000832641901 587672303 /nfs/dbraw/zinc/67/23/03/587672303.db2.gz NHUMQXCVRHFKPQ-JTQLQIEISA-N -1 3 238.291 0.615 20 0 BCADHM O=C([O-])NCCN1CCC(c2nc[nH]n2)CC1 ZINC000832641774 587672363 /nfs/dbraw/zinc/67/23/63/587672363.db2.gz JGMBSZVKKCGZQB-UHFFFAOYSA-N -1 3 239.279 0.252 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)CCc1cnn(C)n1 ZINC000832733824 587680812 /nfs/dbraw/zinc/68/08/12/587680812.db2.gz WYAJIOVDGLUSJP-VIFPVBQESA-N -1 3 240.307 0.842 20 0 BCADHM O=C([O-])[C@]1(F)CCN(C[C@H]2CCCOC2)C1 ZINC000833174911 587700925 /nfs/dbraw/zinc/70/09/25/587700925.db2.gz KOYGDDUJIYBQQA-KOLCDFICSA-N -1 3 231.267 0.912 20 0 BCADHM O=C([O-])[C@@]1(F)CCN(CC2CCOCC2)C1 ZINC000833176382 587701463 /nfs/dbraw/zinc/70/14/63/587701463.db2.gz XZOZWBSFHRMLIC-LLVKDONJSA-N -1 3 231.267 0.912 20 0 BCADHM CC(=O)CCN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833388564 587712026 /nfs/dbraw/zinc/71/20/26/587712026.db2.gz UBMKURPQQGNRFW-SNVBAGLBSA-N -1 3 229.276 0.123 20 0 BCADHM CC(=O)CCN(C)[C@H](COC(C)C)C(=O)[O-] ZINC000833388263 587713097 /nfs/dbraw/zinc/71/30/97/587713097.db2.gz LTESELYWSNYMRF-SNVBAGLBSA-N -1 3 231.292 0.776 20 0 BCADHM CC(=O)CCN1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833388753 587713149 /nfs/dbraw/zinc/71/31/49/587713149.db2.gz YSTADWMHVKJSNK-SNVBAGLBSA-N -1 3 242.319 0.446 20 0 BCADHM CC(C)NC(=O)CNC1(CC(=O)[O-])CCC1 ZINC000833501624 587717929 /nfs/dbraw/zinc/71/79/29/587717929.db2.gz DWTCLGIPUCDBLY-UHFFFAOYSA-N -1 3 228.292 0.498 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2C[C@@H](C)[C@H](O)C2)O1 ZINC000833585506 587721485 /nfs/dbraw/zinc/72/14/85/587721485.db2.gz XMUNACALWKTJGL-BCMRRPTOSA-N -1 3 241.287 0.447 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2C[C@H](O)C[C@@H]2C)O1 ZINC000833585083 587721823 /nfs/dbraw/zinc/72/18/23/587721823.db2.gz UABWPPZULRHYEH-FXBDTBDDSA-N -1 3 241.287 0.589 20 0 BCADHM C[C@@H]1CC[C@H](NCc2cn(CC(=O)[O-])nn2)C1 ZINC000833603415 587723246 /nfs/dbraw/zinc/72/32/46/587723246.db2.gz KXBBCZNANBEKJS-BDAKNGLRSA-N -1 3 238.291 0.641 20 0 BCADHM C[C@@H]1CN(CCC(=O)[O-])CCN1CC1CC1 ZINC000833629235 587725193 /nfs/dbraw/zinc/72/51/93/587725193.db2.gz SQWQSFRJRRCGTC-SNVBAGLBSA-N -1 3 226.320 0.877 20 0 BCADHM CNC(=O)[C@@H](NC/C=C(\C)C(=O)[O-])C(C)C ZINC000833699037 587729046 /nfs/dbraw/zinc/72/90/46/587729046.db2.gz DCBOBPHHRTWRQF-QRJSTWQJSA-N -1 3 228.292 0.378 20 0 BCADHM O=C([O-])[C@H](O)C1CCN(C[C@@H]2CCCO2)CC1 ZINC000833770447 587730392 /nfs/dbraw/zinc/73/03/92/587730392.db2.gz GMLOQNYJIYOKDB-WDEREUQCSA-N -1 3 243.303 0.323 20 0 BCADHM O=C([O-])[C@@H](O)C1CCN(CCCF)CC1 ZINC000833771063 587730970 /nfs/dbraw/zinc/73/09/70/587730970.db2.gz ULENZIJWCRIAHM-VIFPVBQESA-N -1 3 219.256 0.504 20 0 BCADHM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC1OCCO1 ZINC000833829883 587734298 /nfs/dbraw/zinc/73/42/98/587734298.db2.gz HMZAUMKXSBGTBI-DTWKUNHWSA-N -1 3 244.291 0.337 20 0 BCADHM CCN(CCC(=O)OC)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833858361 587736420 /nfs/dbraw/zinc/73/64/20/587736420.db2.gz ZDAGAVPLSKNOAA-SECBINFHSA-N -1 3 244.291 0.624 20 0 BCADHM CCNC(=O)[C@H](C)N[C@H](C)C[C@H](C)NC(=O)[O-] ZINC000833859773 587737001 /nfs/dbraw/zinc/73/70/01/587737001.db2.gz IFUHUUVQUFXXLJ-VGMNWLOBSA-N -1 3 245.323 0.535 20 0 BCADHM CN(CCNC(=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000833871959 587737309 /nfs/dbraw/zinc/73/73/09/587737309.db2.gz DLRLMBFCXRGWEM-DTWKUNHWSA-N -1 3 216.281 0.347 20 0 BCADHM CN(CCNC(=O)[O-])[C@H]1CCSC1 ZINC000833872187 587737566 /nfs/dbraw/zinc/73/75/66/587737566.db2.gz HCZXOXGIQGLWTP-ZETCQYMHSA-N -1 3 204.295 0.691 20 0 BCADHM CNC(=O)CCN1C[C@@H](C)N(C(=O)[O-])C[C@@H]1C ZINC000833874876 587737782 /nfs/dbraw/zinc/73/77/82/587737782.db2.gz BUWZSYXKKYQNHR-DTWKUNHWSA-N -1 3 243.307 0.195 20 0 BCADHM O=C([O-])N1CCC[C@H]1CN1CC[C@H](O)C1 ZINC000834117483 587746768 /nfs/dbraw/zinc/74/67/68/587746768.db2.gz YSRDICRWVSLUBL-IUCAKERBSA-N -1 3 214.265 0.195 20 0 BCADHM O=C([O-])NC[C@H]1CCN(CCn2ccnc2)C1 ZINC000834226626 587749228 /nfs/dbraw/zinc/74/92/28/587749228.db2.gz ZNMQZJAQKNOWRA-SNVBAGLBSA-N -1 3 238.291 0.473 20 0 BCADHM O=C([O-])NCCN1CC[C@H](C(F)F)C1 ZINC000834239358 587749658 /nfs/dbraw/zinc/74/96/58/587749658.db2.gz LQAXTBJGEMHWMI-LURJTMIESA-N -1 3 208.208 0.841 20 0 BCADHM O=C(CCCF)[N-]OC[C@H]1CCOC1 ZINC000834294160 587750512 /nfs/dbraw/zinc/75/05/12/587750512.db2.gz ITIKNDQRXGOZAW-QMMMGPOBSA-N -1 3 205.229 0.820 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000834621574 587761202 /nfs/dbraw/zinc/76/12/02/587761202.db2.gz HDSKZTNCBCLISM-GZMMTYOYSA-N -1 3 229.276 0.232 20 0 BCADHM CC(C)(O)CO[N-]C(=O)c1ccnc(F)c1F ZINC000834622365 587761487 /nfs/dbraw/zinc/76/14/87/587761487.db2.gz VNTUMLJYQVDCAE-UHFFFAOYSA-N -1 3 246.213 0.792 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1ncc[nH]1 ZINC000834622151 587761675 /nfs/dbraw/zinc/76/16/75/587761675.db2.gz QNXJLWNSEDWEPP-UHFFFAOYSA-N -1 3 227.264 0.161 20 0 BCADHM CC(C)(O)CO[N-]C(=O)c1ccc(=O)[nH]c1 ZINC000834628506 587761765 /nfs/dbraw/zinc/76/17/65/587761765.db2.gz OTFXHZZHXZALTJ-UHFFFAOYSA-N -1 3 226.232 0.220 20 0 BCADHM COC/C(C)=C/C(=O)[N-]OCC(C)(C)O ZINC000834628569 587761897 /nfs/dbraw/zinc/76/18/97/587761897.db2.gz RHULTMMUJFGTFX-VMPITWQZSA-N -1 3 217.265 0.398 20 0 BCADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2nncn2C)C1 ZINC000867151831 587821646 /nfs/dbraw/zinc/82/16/46/587821646.db2.gz PDMBZHGSLQNJCO-HTQZYQBOSA-N -1 3 244.320 0.282 20 0 BCADHM O=C([N-]CCCO)C(F)(F)C(F)F ZINC000003165306 587836240 /nfs/dbraw/zinc/83/62/40/587836240.db2.gz HHXFLGPOIYJJMI-UHFFFAOYSA-N -1 3 203.135 0.385 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CC[C@@H]1CCCO1 ZINC000836802757 587837749 /nfs/dbraw/zinc/83/77/49/587837749.db2.gz XVBKTRSZHHTAQJ-VIFPVBQESA-N -1 3 231.292 0.764 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)[N-]OC(C)(C)CO ZINC000836804647 587838043 /nfs/dbraw/zinc/83/80/43/587838043.db2.gz ZMJPJTRBJYRHEL-SNVBAGLBSA-N -1 3 244.335 0.680 20 0 BCADHM CC[C@@H](C(=O)[N-]O[C@H](CO)C(C)C)N(C)C ZINC000836888780 587841265 /nfs/dbraw/zinc/84/12/65/587841265.db2.gz BRIOACYEBJDXNW-VHSXEESVSA-N -1 3 232.324 0.391 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836892095 587841531 /nfs/dbraw/zinc/84/15/31/587841531.db2.gz MZACDJQTVKVXTQ-ZJUUUORDSA-N -1 3 233.308 0.602 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@H](C)N(C)C ZINC000836891251 587841672 /nfs/dbraw/zinc/84/16/72/587841672.db2.gz MNCBRIKXLAQACI-DTWKUNHWSA-N -1 3 218.297 0.001 20 0 BCADHM CS/C=C\C(=O)[N-]O[C@H](CO)C(C)C ZINC000836894019 587841836 /nfs/dbraw/zinc/84/18/36/587841836.db2.gz ZKBVNRUYGWSOAU-PULIVWKDSA-N -1 3 219.306 0.928 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C[C@@H]1CCCO1 ZINC000836902220 587842462 /nfs/dbraw/zinc/84/24/62/587842462.db2.gz ZGZUAJAZGOLJRE-UWVGGRQHSA-N -1 3 231.292 0.620 20 0 BCADHM O=C([N-]OCC(F)F)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000837534663 587880300 /nfs/dbraw/zinc/88/03/00/587880300.db2.gz UXEMURSJEOHEJF-XVMARJQXSA-N -1 3 233.214 0.915 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCc1cscn1 ZINC000837690851 587891142 /nfs/dbraw/zinc/89/11/42/587891142.db2.gz DRZGGYGUWQALKN-UHFFFAOYSA-N -1 3 238.272 0.969 20 0 BCADHM COc1cncc(C(=O)[N-]N2CCCC2=O)c1C ZINC000867277946 587976681 /nfs/dbraw/zinc/97/66/81/587976681.db2.gz ISXRMGZPICITEZ-UHFFFAOYSA-N -1 3 249.270 0.666 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccc(N)cc2[O-])C[C@@H](C)N1 ZINC000841854725 587978479 /nfs/dbraw/zinc/97/84/79/587978479.db2.gz GRKLIVQAYSAZAJ-RKDXNWHRSA-N -1 3 249.314 0.797 20 0 BCADHM CC1=C(C)C[C@@H](C(=O)[N-]OCC(N)=O)CC1 ZINC000843846084 588144809 /nfs/dbraw/zinc/14/48/09/588144809.db2.gz GGAJVVRXOVDOJQ-VIFPVBQESA-N -1 3 226.276 0.656 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC000843857638 588145538 /nfs/dbraw/zinc/14/55/38/588145538.db2.gz WFEFPLXBXSCQJR-MRVPVSSYSA-N -1 3 215.249 0.440 20 0 BCADHM CN(C)c1n[nH]c([N-]C(=O)C2(F)CC2)n1 ZINC000843885013 588147639 /nfs/dbraw/zinc/14/76/39/588147639.db2.gz WJKOVBHTJACOMV-UHFFFAOYSA-N -1 3 213.216 0.311 20 0 BCADHM COC1(C(=O)[N-]C2=NC[C@@H](C)S2)CC1 ZINC000843911428 588150295 /nfs/dbraw/zinc/15/02/95/588150295.db2.gz IUCPMDKKLHKYTK-ZCFIWIBFSA-N -1 3 214.290 0.773 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CCC(=O)O1 ZINC000867341903 588153083 /nfs/dbraw/zinc/15/30/83/588153083.db2.gz KXVOANZPDSJVDJ-SSDOTTSWSA-N -1 3 222.200 0.431 20 0 BCADHM CCCO[N-]C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000844082840 588162117 /nfs/dbraw/zinc/16/21/17/588162117.db2.gz GRMVWCORYXXXNA-QMMMGPOBSA-N -1 3 214.265 0.313 20 0 BCADHM CCCO[N-]C(=O)CCC(=O)NCC ZINC000844084536 588163200 /nfs/dbraw/zinc/16/32/00/588163200.db2.gz VFMQCEMLRHVFRL-UHFFFAOYSA-N -1 3 202.254 0.361 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC000844085155 588163342 /nfs/dbraw/zinc/16/33/42/588163342.db2.gz CXUYMOPQBDXUFS-SECBINFHSA-N -1 3 228.292 0.703 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1CCn2ccnc2C1 ZINC000844085704 588163652 /nfs/dbraw/zinc/16/36/52/588163652.db2.gz JVQSXTSZXMPZFU-SECBINFHSA-N -1 3 223.276 0.903 20 0 BCADHM CCCO[N-]C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000844086438 588164119 /nfs/dbraw/zinc/16/41/19/588164119.db2.gz PHWLQMGBHIERKR-UHFFFAOYSA-N -1 3 236.231 0.506 20 0 BCADHM CCCO[N-]C(=O)CCC(=O)c1cnn(C)c1 ZINC000844086907 588164918 /nfs/dbraw/zinc/16/49/18/588164918.db2.gz CZTJLYVRBVODJT-UHFFFAOYSA-N -1 3 239.275 0.841 20 0 BCADHM CCCO[N-]C(=O)CCCCC(=O)NC ZINC000844087955 588165641 /nfs/dbraw/zinc/16/56/41/588165641.db2.gz ICCZDMNQKJUVML-UHFFFAOYSA-N -1 3 216.281 0.751 20 0 BCADHM CCCO[N-]C(=O)CCc1nc(N(C)C)no1 ZINC000844088719 588165813 /nfs/dbraw/zinc/16/58/13/588165813.db2.gz YUMNLKCCCSFITD-UHFFFAOYSA-N -1 3 242.279 0.526 20 0 BCADHM CO[N-]C(=O)CC1(CC(=O)NOC)CCCC1 ZINC000105594400 588212544 /nfs/dbraw/zinc/21/25/44/588212544.db2.gz FXJMNIUWHCNIJP-UHFFFAOYSA-N -1 3 244.291 0.682 20 0 BCADHM [O-]C(=NOCCO)Nc1ccc(F)nc1F ZINC000844678676 588213099 /nfs/dbraw/zinc/21/30/99/588213099.db2.gz IZGSRPBPLDXVOA-UHFFFAOYSA-N -1 3 233.174 0.405 20 0 BCADHM O=C([N-]OCCO)Nc1ccc(F)nc1F ZINC000844678676 588213100 /nfs/dbraw/zinc/21/31/00/588213100.db2.gz IZGSRPBPLDXVOA-UHFFFAOYSA-N -1 3 233.174 0.405 20 0 BCADHM O=C([N-]C1=NCCS1)[C@H]1CCCO1 ZINC000005382653 588218532 /nfs/dbraw/zinc/21/85/32/588218532.db2.gz XPWGSRWGBMAENV-ZCFIWIBFSA-N -1 3 200.263 0.384 20 0 BCADHM CC(C)C[C@@H](NC(=O)[C@@]1(F)CCNC1)C(=O)[O-] ZINC000844932298 588219545 /nfs/dbraw/zinc/21/95/45/588219545.db2.gz RZLHMALIHMPOOM-LDYMZIIASA-N -1 3 246.282 0.304 20 0 BCADHM CC(C)C[C@H](NC(=O)[C@]1(F)CCNC1)C(=O)[O-] ZINC000844932297 588219630 /nfs/dbraw/zinc/21/96/30/588219630.db2.gz RZLHMALIHMPOOM-KWQFWETISA-N -1 3 246.282 0.304 20 0 BCADHM O=C(OCCC1CC1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845371397 588228257 /nfs/dbraw/zinc/22/82/57/588228257.db2.gz DNPPLBIJYSCTLP-QMMMGPOBSA-N -1 3 233.289 0.021 20 0 BCADHM CC[C@H](C)COC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845373111 588228343 /nfs/dbraw/zinc/22/83/43/588228343.db2.gz NAEYCEBQPFCYHP-JGVFFNPUSA-N -1 3 235.305 0.267 20 0 BCADHM C[C@@H]1CC[C@H](OC(=O)[C@H]2CCS(=O)(=O)[N-]2)C1 ZINC000845376533 588228359 /nfs/dbraw/zinc/22/83/59/588228359.db2.gz RKZOFCKYCFYMEE-HRDYMLBCSA-N -1 3 247.316 0.410 20 0 BCADHM CC[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845373037 588228428 /nfs/dbraw/zinc/22/84/28/588228428.db2.gz MTUJBCCPGVHNFR-RNFRBKRXSA-N -1 3 221.278 0.020 20 0 BCADHM O=C(OC1CCCCC1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845438216 588229476 /nfs/dbraw/zinc/22/94/76/588229476.db2.gz LKTGXSPEXXUFKY-SECBINFHSA-N -1 3 247.316 0.554 20 0 BCADHM CC(C)[C@@H](C)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845496040 588230583 /nfs/dbraw/zinc/23/05/83/588230583.db2.gz QBIDOBIRCMTQHS-SFYZADRCSA-N -1 3 235.305 0.266 20 0 BCADHM CCC[C@@H](C)COC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845528745 588232377 /nfs/dbraw/zinc/23/23/77/588232377.db2.gz GATLRKXKYZWAJV-RKDXNWHRSA-N -1 3 249.332 0.658 20 0 BCADHM C[C@@H](COC(=O)[C@@H]1CCS(=O)(=O)[N-]1)C1CC1 ZINC000845544356 588232889 /nfs/dbraw/zinc/23/28/89/588232889.db2.gz BADJRGIBTTYVNI-CBAPKCEASA-N -1 3 247.316 0.267 20 0 BCADHM CC[C@@H](OC(=O)[C@H]1CCS(=O)(=O)[N-]1)C(C)C ZINC000845849494 588247300 /nfs/dbraw/zinc/24/73/00/588247300.db2.gz BMUQSLKJPCBCKF-RKDXNWHRSA-N -1 3 249.332 0.656 20 0 BCADHM COC/C(C)=C/C(=O)[N-]OC1CCOCC1 ZINC000845957910 588251728 /nfs/dbraw/zinc/25/17/28/588251728.db2.gz GSFRVMJRLCJPMM-VQHVLOKHSA-N -1 3 229.276 0.806 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc(OC)nc1 ZINC000846085740 588256031 /nfs/dbraw/zinc/25/60/31/588256031.db2.gz MGTMRUNHZUWANF-UHFFFAOYSA-N -1 3 239.275 0.248 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc2c[nH]nc2c1 ZINC000846088994 588256141 /nfs/dbraw/zinc/25/61/41/588256141.db2.gz NXQAPIOQDHHQPU-UHFFFAOYSA-N -1 3 248.286 0.720 20 0 BCADHM CC(C)O[N-]C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC000846237187 588262119 /nfs/dbraw/zinc/26/21/19/588262119.db2.gz HGLMJSBXXAUTLN-MRVPVSSYSA-N -1 3 235.305 0.267 20 0 BCADHM C[C@H](CC(=O)[N-]OC(C)(C)CO)n1ccnc1 ZINC000846236801 588262275 /nfs/dbraw/zinc/26/22/75/588262275.db2.gz CDSAKGRYZKFJTI-SECBINFHSA-N -1 3 241.291 0.653 20 0 BCADHM CN1CCC(O[N-]C(=O)C2CC(=O)C2)CC1 ZINC000846648562 588280318 /nfs/dbraw/zinc/28/03/18/588280318.db2.gz ZWKACEXQEJKONV-UHFFFAOYSA-N -1 3 226.276 0.108 20 0 BCADHM C[C@@H](CC(=O)[N-]OCC(C)(C)O)n1ccnc1 ZINC000846642699 588280642 /nfs/dbraw/zinc/28/06/42/588280642.db2.gz MVOLNCAQKMYNAY-VIFPVBQESA-N -1 3 241.291 0.653 20 0 BCADHM CO[N-]C(=O)c1cc(OC)cnc1F ZINC000847318557 588310946 /nfs/dbraw/zinc/31/09/46/588310946.db2.gz KLOUVOGHNWMYPR-UHFFFAOYSA-N -1 3 200.169 0.521 20 0 BCADHM C[C@H](CC(=O)[N-]O[C@H]1CCCCO1)NC(N)=O ZINC000847414589 588312810 /nfs/dbraw/zinc/31/28/10/588312810.db2.gz PATZSBZYHNMHQN-APPZFPTMSA-N -1 3 245.279 0.008 20 0 BCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OC1CCCC1 ZINC000847661636 588324228 /nfs/dbraw/zinc/32/42/28/588324228.db2.gz FKWBMAUPZQNJRI-RKDXNWHRSA-N -1 3 226.276 0.488 20 0 BCADHM Cc1n[nH]c(C)c1CN(C)CCC(=O)[O-] ZINC000107151651 588332220 /nfs/dbraw/zinc/33/22/20/588332220.db2.gz CAWWMMWKDBMBBG-UHFFFAOYSA-N -1 3 211.265 0.933 20 0 BCADHM C[C@H]1C[C@H]([N-]C(=O)C(C)(F)F)C(=O)O1 ZINC000848076662 588354861 /nfs/dbraw/zinc/35/48/61/588354861.db2.gz XUNSCJRVMAPNFI-WHFBIAKZSA-N -1 3 207.176 0.462 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1cc2n(n1)CCCO2 ZINC000848097643 588355857 /nfs/dbraw/zinc/35/58/57/588355857.db2.gz QCCROXUBUIAWNV-UHFFFAOYSA-N -1 3 245.229 0.937 20 0 BCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000848104679 588356098 /nfs/dbraw/zinc/35/60/98/588356098.db2.gz ANQMSVMALORINK-INJCQMSSSA-N -1 3 232.667 0.298 20 0 BCADHM CC(C)OCCO[N-]C(=O)CN1CC[C@H](C)C1 ZINC000848108555 588356339 /nfs/dbraw/zinc/35/63/39/588356339.db2.gz PALFALQONMRBBH-NSHDSACASA-N -1 3 244.335 0.801 20 0 BCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OC/C=C\Cl ZINC000848104684 588356350 /nfs/dbraw/zinc/35/63/50/588356350.db2.gz ANQMSVMALORINK-PBFISZAISA-N -1 3 232.667 0.298 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@H]1CC[C@H]1C(N)=O ZINC000848120424 588358634 /nfs/dbraw/zinc/35/86/34/588358634.db2.gz GVFRHRLYWBYPDT-YIZRAAEISA-N -1 3 228.292 0.592 20 0 BCADHM COC(=O)C[C@H](C)CC(=O)[N-]OC(C)(C)CO ZINC000848162514 588362660 /nfs/dbraw/zinc/36/26/60/588362660.db2.gz OMIRFTJGBQYMAA-MRVPVSSYSA-N -1 3 247.291 0.394 20 0 BCADHM O=C(OCCO[C@@H]1CC1(F)F)c1cnn[n-]1 ZINC000849776168 588497028 /nfs/dbraw/zinc/49/70/28/588497028.db2.gz DJNILBOGUUUCNS-ZCFIWIBFSA-N -1 3 233.174 0.386 20 0 BCADHM O=C(OCCO[C@@H]1CC1(F)F)c1c[n-]nn1 ZINC000849776168 588497030 /nfs/dbraw/zinc/49/70/30/588497030.db2.gz DJNILBOGUUUCNS-ZCFIWIBFSA-N -1 3 233.174 0.386 20 0 BCADHM CCC(CC)CN1C(C)=C([O-])N(C)S1(=O)=O ZINC000849896322 588508627 /nfs/dbraw/zinc/50/86/27/588508627.db2.gz UFOFGROKQVWKHI-MRVPVSSYSA-N -1 3 248.348 0.830 20 0 BCADHM CCCNC(=O)CCC(=O)[N-]OCC ZINC000109936768 588602387 /nfs/dbraw/zinc/60/23/87/588602387.db2.gz AURIETRDBFYQRM-UHFFFAOYSA-N -1 3 202.254 0.361 20 0 BCADHM O=C(NC1CC1)c1nnc2ccccc2c1[O-] ZINC000109932408 588602490 /nfs/dbraw/zinc/60/24/90/588602490.db2.gz PNEZZDKBLADYDP-UHFFFAOYSA-N -1 3 229.239 0.815 20 0 BCADHM CC1CC(COC(=O)[C@H]2CCS(=O)(=O)[N-]2)C1 ZINC000851464693 588606460 /nfs/dbraw/zinc/60/64/60/588606460.db2.gz LKSJODWYHCFZOD-AMDVSUOASA-N -1 3 247.316 0.267 20 0 BCADHM O=C([O-])[C@]12COC[C@H]1CN(C/C=C\Cl)C2 ZINC000852733269 588698351 /nfs/dbraw/zinc/69/83/51/588698351.db2.gz OIDKZFZHLOLSCF-PGKOWNQPSA-N -1 3 231.679 0.772 20 0 BCADHM NCc1cc(=O)[n-]c(CNC(=O)C=CC2CC2)n1 ZINC000852918441 588713283 /nfs/dbraw/zinc/71/32/83/588713283.db2.gz BCQWEXOJQSPFRG-ONEGZZNKSA-N -1 3 248.286 0.223 20 0 BCADHM C[C@@H]1CCOCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000860601805 589108786 /nfs/dbraw/zinc/10/87/86/589108786.db2.gz QQTAVRCPOVRLOJ-MRVPVSSYSA-N -1 3 237.259 0.433 20 0 BCADHM Cc1cccc([O-])c1C(=O)NN1CCCC1=O ZINC000860666855 589113208 /nfs/dbraw/zinc/11/32/08/589113208.db2.gz VQEHEBRYRWFSMY-UHFFFAOYSA-N -1 3 234.255 0.968 20 0 BCADHM C=CC(=O)N(C)CC(=O)Nc1nc(C)ccc1[O-] ZINC000861387402 589162549 /nfs/dbraw/zinc/16/25/49/589162549.db2.gz ISQMJFQAJOCXPG-UHFFFAOYSA-N -1 3 249.270 0.679 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC000861809727 589179257 /nfs/dbraw/zinc/17/92/57/589179257.db2.gz VRGQXMZMXRFSGK-IVZWLZJFSA-N -1 3 242.319 0.995 20 0 BCADHM CCO[C@H](C(=O)[N-]OCCN(C)C)C(C)C ZINC000861857201 589180914 /nfs/dbraw/zinc/18/09/14/589180914.db2.gz UQJSZIIETSASTI-JTQLQIEISA-N -1 3 232.324 0.657 20 0 BCADHM CC(C)O[N-]C(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC000861880067 589181580 /nfs/dbraw/zinc/18/15/80/589181580.db2.gz YXQLIYMTMWMXOU-YUMQZZPRSA-N -1 3 214.265 0.357 20 0 BCADHM C=CC(=O)N(C)CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000862043166 589190648 /nfs/dbraw/zinc/19/06/48/589190648.db2.gz CPGUVTJZEYMCAY-ZETCQYMHSA-N -1 3 241.316 0.238 20 0 BCADHM CCn1ncc(C[N-]C(=O)C(F)(F)CC)n1 ZINC000862380052 589206507 /nfs/dbraw/zinc/20/65/07/589206507.db2.gz ZMKUBSAHGFXLCR-UHFFFAOYSA-N -1 3 232.234 0.960 20 0 BCADHM COc1ccccc1C(=O)[N-]N1CCOC1=O ZINC000862695837 589233050 /nfs/dbraw/zinc/23/30/50/589233050.db2.gz QYVXAUOSXLDKKW-UHFFFAOYSA-N -1 3 236.227 0.792 20 0 BCADHM C[C@@]1(C(=O)[N-]N2CCOC2=O)CC1(F)F ZINC000862705056 589235623 /nfs/dbraw/zinc/23/56/23/589235623.db2.gz IWEWWHIRJHGXGZ-ZETCQYMHSA-N -1 3 220.175 0.515 20 0 BCADHM COc1cnc(F)c([N-]S(C)(=O)=O)c1 ZINC000863449797 589288685 /nfs/dbraw/zinc/28/86/85/589288685.db2.gz ZVLKVYWXIZCLMB-UHFFFAOYSA-N -1 3 220.225 0.601 20 0 BCADHM C[C@@H](CN(C)c1ccnc(CO)c1)C(=O)[O-] ZINC000863733796 589313992 /nfs/dbraw/zinc/31/39/92/589313992.db2.gz WRPQLVLZQZGWSW-QMMMGPOBSA-N -1 3 224.260 0.731 20 0 BCADHM CCCN(CC(=O)[O-])c1ccnc(CO)c1 ZINC000863732184 589313994 /nfs/dbraw/zinc/31/39/94/589313994.db2.gz LCLGGQKCVZGNDV-UHFFFAOYSA-N -1 3 224.260 0.875 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)OCc1ccccc1 ZINC000204211973 589321882 /nfs/dbraw/zinc/32/18/82/589321882.db2.gz XUNQKRQKNOJHSU-UHFFFAOYSA-N -1 3 248.238 0.282 20 0 BCADHM COCCOCc1nnc([N-][C@@H](C)COC)o1 ZINC000863981830 589332914 /nfs/dbraw/zinc/33/29/14/589332914.db2.gz NEYSTMJMBOMYJI-QMMMGPOBSA-N -1 3 245.279 0.679 20 0 BCADHM CC(C)S(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000864091498 589344090 /nfs/dbraw/zinc/34/40/90/589344090.db2.gz YNKNFTHQQZEHCS-UHFFFAOYSA-N -1 3 215.278 0.864 20 0 BCADHM CC(C)S(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000864091498 589344092 /nfs/dbraw/zinc/34/40/92/589344092.db2.gz YNKNFTHQQZEHCS-UHFFFAOYSA-N -1 3 215.278 0.864 20 0 BCADHM CC(=O)[N-]OCC(=O)N[C@@H](C)C(C)C ZINC000119921702 589348385 /nfs/dbraw/zinc/34/83/85/589348385.db2.gz PFNTZPRRQRVVMJ-ZETCQYMHSA-N -1 3 202.254 0.215 20 0 BCADHM CC(=O)[N-]OCC(=O)N(C)C1CCCCC1 ZINC000119930862 589348540 /nfs/dbraw/zinc/34/85/40/589348540.db2.gz COJWSUHFQVVLDB-UHFFFAOYSA-N -1 3 228.292 0.845 20 0 BCADHM CCO[N-]C(=O)[C@H]1CC[C@@H]1C(=O)NOCC ZINC000864688763 589390023 /nfs/dbraw/zinc/39/00/23/589390023.db2.gz HAPQZQAGGXGJBR-YUMQZZPRSA-N -1 3 230.264 0.148 20 0 BCADHM CCO[C@H]1COCC[C@H]1CC(=O)[N-]OC ZINC000864749043 589392619 /nfs/dbraw/zinc/39/26/19/589392619.db2.gz UGHJAXOKWVINPF-IUCAKERBSA-N -1 3 217.265 0.496 20 0 BCADHM CCOCn1nc(C)c(CC(=O)[N-]OC)c1C ZINC000864749274 589392716 /nfs/dbraw/zinc/39/27/16/589392716.db2.gz XFWWUFVJNTWPPB-UHFFFAOYSA-N -1 3 241.291 0.714 20 0 BCADHM O=c1[nH][n-]cc1CCCNc1cc(F)ncn1 ZINC000865942131 589469425 /nfs/dbraw/zinc/46/94/25/589469425.db2.gz ONMXBRAVXNROCK-SSDOTTSWSA-N -1 3 237.238 0.540 20 0 BCADHM O=c1[nH][n-]cc1CCCNc1nccnc1F ZINC000865942145 589469447 /nfs/dbraw/zinc/46/94/47/589469447.db2.gz OQJPEHKCPJRZGD-SSDOTTSWSA-N -1 3 237.238 0.540 20 0 BCADHM CCC(C)(C)[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866385958 589489244 /nfs/dbraw/zinc/48/92/44/589489244.db2.gz UIFRUDVTCJFDFX-UHFFFAOYSA-N -1 3 242.366 0.737 20 0 BCADHM COCCO[N-]C(=O)c1cc(C)cnc1F ZINC000866357226 589488024 /nfs/dbraw/zinc/48/80/24/589488024.db2.gz JTKVWRNLOGIKPY-UHFFFAOYSA-N -1 3 228.223 0.837 20 0 BCADHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C(C)C ZINC000866368329 589488617 /nfs/dbraw/zinc/48/86/17/589488617.db2.gz ACZIVXGZQMLJKQ-LBPRGKRZSA-N -1 3 228.339 0.347 20 0 BCADHM COCCC[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866379407 589488669 /nfs/dbraw/zinc/48/86/69/589488669.db2.gz OJAFPGFVWUCAQT-UHFFFAOYSA-N -1 3 245.304 0.100 20 0 BCADHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C(C)(C)C ZINC000866377938 589488716 /nfs/dbraw/zinc/48/87/16/589488716.db2.gz KXONRUZFVXBFBL-CYBMUJFWSA-N -1 3 242.366 0.737 20 0 BCADHM CCCC[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000866378393 589488828 /nfs/dbraw/zinc/48/88/28/589488828.db2.gz PPPUOJPEDGCZCD-ZDUSSCGKSA-N -1 3 242.366 0.739 20 0 BCADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866495330 589497327 /nfs/dbraw/zinc/49/73/27/589497327.db2.gz BDUZFQAVMNYKDD-BQBZGAKWSA-N -1 3 240.350 0.204 20 0 BCADHM C/C=C\C[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000867566004 589526259 /nfs/dbraw/zinc/52/62/59/589526259.db2.gz ZSCAUSKLIWLGOO-RYWCDNDXSA-N -1 3 240.350 0.515 20 0 BCADHM CN1CCC(O[N-]C(=O)C2CSC2)CC1 ZINC000868090575 589549558 /nfs/dbraw/zinc/54/95/58/589549558.db2.gz LNCVMGKVGWBKCM-UHFFFAOYSA-N -1 3 230.333 0.491 20 0 BCADHM CC(=O)OCCNC(=O)c1ccccc1[O-] ZINC000016970628 589551269 /nfs/dbraw/zinc/55/12/69/589551269.db2.gz YIZKGYYWOFOCSY-UHFFFAOYSA-N -1 3 223.228 0.685 20 0 BCADHM COCCCO[N-]C(=O)C1CSC1 ZINC000868327288 589554842 /nfs/dbraw/zinc/55/48/42/589554842.db2.gz YSGKZBDFSPYLMW-UHFFFAOYSA-N -1 3 205.279 0.434 20 0 BCADHM CCC=C(F)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000868428213 589557956 /nfs/dbraw/zinc/55/79/56/589557956.db2.gz UKCHVLBMOKJRPH-HWKANZROSA-N -1 3 224.199 0.654 20 0 BCADHM COC/C=C\C(=O)[N-]OC(C)(C)CO ZINC000868660175 589571051 /nfs/dbraw/zinc/57/10/51/589571051.db2.gz MPRMYTOZBSVSBV-PLNGDYQASA-N -1 3 203.238 0.008 20 0 BCADHM Cc1cc(C(=O)N[C@H]2CCOC2=O)ccc1[O-] ZINC000869095443 589587718 /nfs/dbraw/zinc/58/77/18/589587718.db2.gz OGZMRFDPQCWJIF-VIFPVBQESA-N -1 3 235.239 0.746 20 0 BCADHM C[C@H]1OCC[C@H]1COC(=O)c1cnn[n-]1 ZINC000869517111 589611077 /nfs/dbraw/zinc/61/10/77/589611077.db2.gz DTLHIMDYLVSMOY-RQJHMYQMSA-N -1 3 211.221 0.387 20 0 BCADHM C[C@H]1OCC[C@H]1COC(=O)c1c[n-]nn1 ZINC000869517111 589611078 /nfs/dbraw/zinc/61/10/78/589611078.db2.gz DTLHIMDYLVSMOY-RQJHMYQMSA-N -1 3 211.221 0.387 20 0 BCADHM CC[C@H](N)C(=O)[N-]O[C@H]1CCCCO1 ZINC000123167371 589671129 /nfs/dbraw/zinc/67/11/29/589671129.db2.gz SSJPMNPEBSBDJW-YUMQZZPRSA-N -1 3 202.254 0.298 20 0 BCADHM CC[S@](=O)CCNCc1nc(C)ccc1[O-] ZINC000123701372 589771327 /nfs/dbraw/zinc/77/13/27/589771327.db2.gz MCGZCOVLTRVKOG-MRXNPFEDSA-N -1 3 242.344 0.954 20 0 BCADHM Cc1oc(=O)n(CC(=O)NCC(C)(C)C)c1[O-] ZINC000871781566 589816475 /nfs/dbraw/zinc/81/64/75/589816475.db2.gz QRLZNSQSRKTAGH-SSDOTTSWSA-N -1 3 242.275 0.516 20 0 BCADHM CC[C@@H](C)NC(=O)Cn1c([O-])c(C)oc1=O ZINC000871781403 589816532 /nfs/dbraw/zinc/81/65/32/589816532.db2.gz DLUKUASLRLLRDH-RQJHMYQMSA-N -1 3 228.248 0.268 20 0 BCADHM Cc1oc(=O)n(CC(=O)N[C@H](C)C(C)C)c1[O-] ZINC000871782121 589817529 /nfs/dbraw/zinc/81/75/29/589817529.db2.gz LPZPOLQEDIVYRE-HTQZYQBOSA-N -1 3 242.275 0.514 20 0 BCADHM Cc1[n-]n(CCOC(C)C)c(=O)c1F ZINC000871958450 589844591 /nfs/dbraw/zinc/84/45/91/589844591.db2.gz XCGKHWXVBUYRPT-MRVPVSSYSA-N -1 3 202.229 0.968 20 0 BCADHM CC(=O)c1cc(=O)n(C2=N[C@H]3CCCC[C@@H]3N2)[n-]1 ZINC000871962834 589846846 /nfs/dbraw/zinc/84/68/46/589846846.db2.gz IXNQPLSEBGEYJE-IUCAKERBSA-N -1 3 248.286 0.434 20 0 BCADHM O=c1[n-]nc(Cl)cc1SCCO ZINC000872386566 589930050 /nfs/dbraw/zinc/93/00/50/589930050.db2.gz RFLNOWWUNWZJKU-UHFFFAOYSA-N -1 3 206.654 0.920 20 0 BCADHM C[C@H](O)CNc1cc(Cl)n[n-]c1=O ZINC000872387144 589930483 /nfs/dbraw/zinc/93/04/83/589930483.db2.gz FHCURJJAEKKTSZ-BYPYZUCNSA-N -1 3 203.629 0.628 20 0 BCADHM C[C@@H](O)CN(C)c1cc(Cl)n[n-]c1=O ZINC000872423254 589938527 /nfs/dbraw/zinc/93/85/27/589938527.db2.gz IZWLGGQQFPQHFV-RXMQYKEDSA-N -1 3 217.656 0.653 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CCO[C@@H]2C[C@@H]21 ZINC000872552459 589949929 /nfs/dbraw/zinc/94/99/29/589949929.db2.gz YWMZWHDKPCKYQD-CAHLUQPWSA-N -1 3 227.651 0.813 20 0 BCADHM O=c1[n-]nc(Cl)cc1N[C@H]1C[C@@H](O)C1 ZINC000872566134 589951845 /nfs/dbraw/zinc/95/18/45/589951845.db2.gz VKDBNDPZXKKMSR-SYDPRGILSA-N -1 3 215.640 0.771 20 0 BCADHM O=c1[n-]nc(Cl)cc1NC[C@@H]1COCO1 ZINC000872570334 589952699 /nfs/dbraw/zinc/95/26/99/589952699.db2.gz VWEPJDKXNZDWRU-RXMQYKEDSA-N -1 3 231.639 0.620 20 0 BCADHM C[C@@H](CN)Nc1cc(Cl)[n-]c(=O)n1 ZINC000872774543 589967579 /nfs/dbraw/zinc/96/75/79/589967579.db2.gz KQBRAXICJNWBKN-BYPYZUCNSA-N -1 3 202.645 0.595 20 0 BCADHM C[C@@H](Nc1cc(Cl)[n-]c(=O)n1)[C@H](C)N ZINC000872776997 589968225 /nfs/dbraw/zinc/96/82/25/589968225.db2.gz QFEKHBXYVJQUFR-CRCLSJGQSA-N -1 3 216.672 0.983 20 0 BCADHM Cc1ccc(CC(=O)[N-]OCC(N)=O)cc1C ZINC000124287294 589972899 /nfs/dbraw/zinc/97/28/99/589972899.db2.gz CHFVJGNHVJWCCI-UHFFFAOYSA-N -1 3 236.271 0.379 20 0 BCADHM Cc1ccc(C(=O)NCC[S@](C)=O)c([O-])c1 ZINC000124284661 589973515 /nfs/dbraw/zinc/97/35/15/589973515.db2.gz MZIKWKNRMAJXMP-MRXNPFEDSA-N -1 3 241.312 0.809 20 0 BCADHM Cc1cccc(C(=O)N[C@H]2CCOC2=O)c1[O-] ZINC000019836707 589990367 /nfs/dbraw/zinc/99/03/67/589990367.db2.gz UTVRUFZMJDIJJZ-VIFPVBQESA-N -1 3 235.239 0.746 20 0 BCADHM Cn1nccc1CCOC(=O)c1cncc([O-])c1 ZINC000873361070 590030820 /nfs/dbraw/zinc/03/08/20/590030820.db2.gz XCEIYSWWXMSJRE-UHFFFAOYSA-N -1 3 247.254 0.920 20 0 BCADHM O=C(OC[C@@H]1C[C@H]2CCC[C@H]2O1)c1cnn[n-]1 ZINC000873393941 590037074 /nfs/dbraw/zinc/03/70/74/590037074.db2.gz STKBLLHVBGRRLB-KHQFGBGNSA-N -1 3 237.259 0.919 20 0 BCADHM O=C(OC[C@@H]1C[C@H]2CCC[C@H]2O1)c1c[n-]nn1 ZINC000873393941 590037075 /nfs/dbraw/zinc/03/70/75/590037075.db2.gz STKBLLHVBGRRLB-KHQFGBGNSA-N -1 3 237.259 0.919 20 0 BCADHM COC(=O)[C@]1(F)CCN([C@@H](C(=O)[O-])C2CC2)C1 ZINC000873643350 590066758 /nfs/dbraw/zinc/06/67/58/590066758.db2.gz HYBUGTJIDGCXFK-KCJUWKMLSA-N -1 3 245.250 0.437 20 0 BCADHM CCO[N-]C(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1 ZINC000873912015 590078697 /nfs/dbraw/zinc/07/86/97/590078697.db2.gz GXMNKRQETDDZBG-DTWKUNHWSA-N -1 3 245.275 0.412 20 0 BCADHM CSc1n[n-]c(NC(=O)CN2CCCC2)n1 ZINC000874254545 590100064 /nfs/dbraw/zinc/10/00/64/590100064.db2.gz YGUCHOQMBQFNLB-UHFFFAOYSA-N -1 3 241.320 0.561 20 0 BCADHM CSc1nnc(NC(=O)CN2CCCC2)[n-]1 ZINC000874254545 590100063 /nfs/dbraw/zinc/10/00/63/590100063.db2.gz YGUCHOQMBQFNLB-UHFFFAOYSA-N -1 3 241.320 0.561 20 0 BCADHM CSc1nc(NC(=O)CN2CCCC2)n[n-]1 ZINC000874254545 590100065 /nfs/dbraw/zinc/10/00/65/590100065.db2.gz YGUCHOQMBQFNLB-UHFFFAOYSA-N -1 3 241.320 0.561 20 0 BCADHM O=C(CN1CCCC1)[N-]O[C@H]1CCCCO1 ZINC000874262180 590100793 /nfs/dbraw/zinc/10/07/93/590100793.db2.gz LNICVZWWVVBWBT-NSHDSACASA-N -1 3 228.292 0.657 20 0 BCADHM Cn1cc(C(=O)N[C@H]2CC23CCC3)c(=O)[n-]c1=O ZINC000874789164 590137007 /nfs/dbraw/zinc/13/70/07/590137007.db2.gz YZECLDKHJQRUAA-QMMMGPOBSA-N -1 3 249.270 0.158 20 0 BCADHM CC(C)(CO)ON=C([O-])Nc1ncccn1 ZINC000888702199 590189095 /nfs/dbraw/zinc/18/90/95/590189095.db2.gz NKZARVJDRFECKI-UHFFFAOYSA-N -1 3 226.236 0.301 20 0 BCADHM CC(C)(CO)O[N-]C(=O)Nc1ncccn1 ZINC000888702199 590189097 /nfs/dbraw/zinc/18/90/97/590189097.db2.gz NKZARVJDRFECKI-UHFFFAOYSA-N -1 3 226.236 0.301 20 0 BCADHM O=C([O-])CSCC(=O)NCCN1CCCC1 ZINC000126076016 590222752 /nfs/dbraw/zinc/22/27/52/590222752.db2.gz SLYPUSRTLMYWKN-UHFFFAOYSA-N -1 3 246.332 0.016 20 0 BCADHM CCO[N-]C(=O)CN[C@@H](C)[C@H]1CC1(F)F ZINC000877614038 590373931 /nfs/dbraw/zinc/37/39/31/590373931.db2.gz UDFMEKKWRDEFHW-NKWVEPMBSA-N -1 3 222.235 0.687 20 0 BCADHM c1cn(-c2cccc(-c3nnn[n-]3)n2)cn1 ZINC000095235020 598910610 /nfs/dbraw/zinc/91/06/10/598910610.db2.gz DVNWLNAFGLRWOP-UHFFFAOYSA-N -1 3 213.204 0.447 20 0 BCADHM CC1(C)CC[C@@H](CC(=O)[N-]OCC(N)=O)OC1 ZINC000879379968 590756941 /nfs/dbraw/zinc/75/69/41/590756941.db2.gz INCUYYZBQQOMGG-QMMMGPOBSA-N -1 3 244.291 0.115 20 0 BCADHM Cn1cc(NC([O-])=NOC(C)(C)CO)cn1 ZINC000880198205 590956771 /nfs/dbraw/zinc/95/67/71/590956771.db2.gz UOOPEZGUXWROGW-UHFFFAOYSA-N -1 3 228.252 0.244 20 0 BCADHM Cn1cc(NC(=O)[N-]OC(C)(C)CO)cn1 ZINC000880198205 590956772 /nfs/dbraw/zinc/95/67/72/590956772.db2.gz UOOPEZGUXWROGW-UHFFFAOYSA-N -1 3 228.252 0.244 20 0 BCADHM Cc1sccc1NC([O-])=NOCC(N)=O ZINC000880402488 591023131 /nfs/dbraw/zinc/02/31/31/591023131.db2.gz YMWZMGKQERMPPY-UHFFFAOYSA-N -1 3 229.261 0.595 20 0 BCADHM Cc1sccc1NC(=O)[N-]OCC(N)=O ZINC000880402488 591023135 /nfs/dbraw/zinc/02/31/35/591023135.db2.gz YMWZMGKQERMPPY-UHFFFAOYSA-N -1 3 229.261 0.595 20 0 BCADHM Cc1nocc1[N-]C(=O)c1cc2n(n1)CCO2 ZINC000880445955 591046661 /nfs/dbraw/zinc/04/66/61/591046661.db2.gz PTMQUTRENKHYCX-UHFFFAOYSA-N -1 3 234.215 0.824 20 0 BCADHM COCCON=C([O-])Nc1cncc(OC)c1 ZINC000880551395 591089223 /nfs/dbraw/zinc/08/92/23/591089223.db2.gz NEWICOFBUAMEFP-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM COCCO[N-]C(=O)Nc1cncc(OC)c1 ZINC000880551395 591089228 /nfs/dbraw/zinc/08/92/28/591089228.db2.gz NEWICOFBUAMEFP-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC1CSC1 ZINC000880727969 591129966 /nfs/dbraw/zinc/12/99/66/591129966.db2.gz XNWYVVREXXINKQ-UHFFFAOYSA-N -1 3 224.285 0.561 20 0 BCADHM COCCON=C([O-])Nc1ccn(CCF)n1 ZINC000880760222 591138974 /nfs/dbraw/zinc/13/89/74/591138974.db2.gz MMUZQSVQKGXAFR-UHFFFAOYSA-N -1 3 246.242 0.552 20 0 BCADHM COCCO[N-]C(=O)Nc1ccn(CCF)n1 ZINC000880760222 591138975 /nfs/dbraw/zinc/13/89/75/591138975.db2.gz MMUZQSVQKGXAFR-UHFFFAOYSA-N -1 3 246.242 0.552 20 0 BCADHM CCc1ccc(NC([O-])=NOCCO)nc1 ZINC000881206370 591172282 /nfs/dbraw/zinc/17/22/82/591172282.db2.gz NJSVHUMNYNNDDS-UHFFFAOYSA-N -1 3 225.248 0.689 20 0 BCADHM CCc1ccc(NC(=O)[N-]OCCO)nc1 ZINC000881206370 591172285 /nfs/dbraw/zinc/17/22/85/591172285.db2.gz NJSVHUMNYNNDDS-UHFFFAOYSA-N -1 3 225.248 0.689 20 0 BCADHM CSCCSCCc1nnn[n-]1 ZINC000882185381 591312783 /nfs/dbraw/zinc/31/27/83/591312783.db2.gz YFEJEZKHEHYNQY-UHFFFAOYSA-N -1 3 204.324 0.838 20 0 BCADHM CSCCSCCc1nn[n-]n1 ZINC000882185381 591312786 /nfs/dbraw/zinc/31/27/86/591312786.db2.gz YFEJEZKHEHYNQY-UHFFFAOYSA-N -1 3 204.324 0.838 20 0 BCADHM CC(C)COC(=O)CSCCc1nnn[n-]1 ZINC000882188301 591312949 /nfs/dbraw/zinc/31/29/49/591312949.db2.gz HMSBOJZITGVHBZ-UHFFFAOYSA-N -1 3 244.320 0.675 20 0 BCADHM CC(C)COC(=O)CSCCc1nn[n-]n1 ZINC000882188301 591312952 /nfs/dbraw/zinc/31/29/52/591312952.db2.gz HMSBOJZITGVHBZ-UHFFFAOYSA-N -1 3 244.320 0.675 20 0 BCADHM CCCOC(=O)[C@H](C)SCCc1nnn[n-]1 ZINC000882188440 591313136 /nfs/dbraw/zinc/31/31/36/591313136.db2.gz QSWHKBSMOXEJJI-ZETCQYMHSA-N -1 3 244.320 0.817 20 0 BCADHM CCCOC(=O)[C@H](C)SCCc1nn[n-]n1 ZINC000882188440 591313139 /nfs/dbraw/zinc/31/31/39/591313139.db2.gz QSWHKBSMOXEJJI-ZETCQYMHSA-N -1 3 244.320 0.817 20 0 BCADHM c1nsnc1CSCCc1nnn[n-]1 ZINC000882190955 591314087 /nfs/dbraw/zinc/31/40/87/591314087.db2.gz RZLINDKQNDGJLZ-UHFFFAOYSA-N -1 3 228.306 0.527 20 0 BCADHM c1nsnc1CSCCc1nn[n-]n1 ZINC000882190955 591314089 /nfs/dbraw/zinc/31/40/89/591314089.db2.gz RZLINDKQNDGJLZ-UHFFFAOYSA-N -1 3 228.306 0.527 20 0 BCADHM C[C@@]1([N-]S(=O)(=O)C2CCC2)CCOC1=O ZINC000882210163 591316357 /nfs/dbraw/zinc/31/63/57/591316357.db2.gz VOUFISVEPRMNBV-SECBINFHSA-N -1 3 233.289 0.164 20 0 BCADHM C[C@]1([N-]S(=O)(=O)C2CCC2)CCOC1=O ZINC000882210165 591316816 /nfs/dbraw/zinc/31/68/16/591316816.db2.gz VOUFISVEPRMNBV-VIFPVBQESA-N -1 3 233.289 0.164 20 0 BCADHM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)C1CCC1 ZINC000882242486 591320984 /nfs/dbraw/zinc/32/09/84/591320984.db2.gz SRTKZTLSWYRPEQ-NXEZZACHSA-N -1 3 249.332 0.262 20 0 BCADHM O=C(Cn1c([O-])coc1=O)NCc1ccccc1 ZINC000882272478 591323116 /nfs/dbraw/zinc/32/31/16/591323116.db2.gz QLMPOHFDNSXIRX-UHFFFAOYSA-N -1 3 248.238 0.282 20 0 BCADHM CC(C)n1ccc(Cn2c([O-])coc2=O)n1 ZINC000882275610 591323954 /nfs/dbraw/zinc/32/39/54/591323954.db2.gz NBPLLIPLEFHBEJ-UHFFFAOYSA-N -1 3 223.232 0.943 20 0 BCADHM CCOC1CC(Cn2c([O-])coc2=O)C1 ZINC000882275971 591324482 /nfs/dbraw/zinc/32/44/82/591324482.db2.gz HFWRIPROCRDYSX-UHFFFAOYSA-N -1 3 213.233 0.780 20 0 BCADHM CCOc1ccc(Cn2c([O-])coc2=O)nc1 ZINC000882275597 591324781 /nfs/dbraw/zinc/32/47/81/591324781.db2.gz MRXIGPQHWDHSAC-UHFFFAOYSA-N -1 3 236.227 0.959 20 0 BCADHM O=C(OCn1c([O-])coc1=O)N1CCCC1 ZINC000882277166 591325533 /nfs/dbraw/zinc/32/55/33/591325533.db2.gz YHEQYOORITZPKF-UHFFFAOYSA-N -1 3 228.204 0.155 20 0 BCADHM CC[C@H](C)CON=c1[n-]ccnc1C(N)=O ZINC000882392691 591342302 /nfs/dbraw/zinc/34/23/02/591342302.db2.gz QXCXIDVHPCRWSN-ZETCQYMHSA-N -1 3 224.264 0.965 20 0 BCADHM CC[C@H](C)CON=c1cc(C(N)=O)[n-]cn1 ZINC000882392736 591342455 /nfs/dbraw/zinc/34/24/55/591342455.db2.gz RSJPRQCSMKXJGD-ZETCQYMHSA-N -1 3 224.264 0.965 20 0 BCADHM O=Cc1cnc(SCCc2nnn[n-]2)nc1 ZINC000882473734 591354983 /nfs/dbraw/zinc/35/49/83/591354983.db2.gz RCGRGEVNOYTNNP-UHFFFAOYSA-N -1 3 236.260 0.137 20 0 BCADHM O=Cc1cnc(SCCc2nn[n-]n2)nc1 ZINC000882473734 591354985 /nfs/dbraw/zinc/35/49/85/591354985.db2.gz RCGRGEVNOYTNNP-UHFFFAOYSA-N -1 3 236.260 0.137 20 0 BCADHM Cc1ncnc(SCCc2nnn[n-]2)c1C ZINC000882474056 591355579 /nfs/dbraw/zinc/35/55/79/591355579.db2.gz WDWMMGINGGGUOT-UHFFFAOYSA-N -1 3 236.304 0.941 20 0 BCADHM Cc1ncnc(SCCc2nn[n-]n2)c1C ZINC000882474056 591355583 /nfs/dbraw/zinc/35/55/83/591355583.db2.gz WDWMMGINGGGUOT-UHFFFAOYSA-N -1 3 236.304 0.941 20 0 BCADHM C=C/C=C\CC[N-]S(=O)(=O)c1nncn1C ZINC000882585952 591394662 /nfs/dbraw/zinc/39/46/62/591394662.db2.gz BHOLAENDFKXZSL-PLNGDYQASA-N -1 3 242.304 0.226 20 0 BCADHM CC(C)[C@@H](C(=O)[N-]C1=NCCS1)N(C)C ZINC000130045583 591433665 /nfs/dbraw/zinc/43/36/65/591433665.db2.gz VDWCURDEDGXQRN-QMMMGPOBSA-N -1 3 229.349 0.792 20 0 BCADHM CO[N-]C(=O)C[C@@H](NC(C)=O)c1cccs1 ZINC000025826227 591442557 /nfs/dbraw/zinc/44/25/57/591442557.db2.gz ZICXHRANGIJGAT-MRVPVSSYSA-N -1 3 242.300 0.993 20 0 BCADHM CO[N-]C(=O)Cc1c(C)noc1Cl ZINC000130313896 591456860 /nfs/dbraw/zinc/45/68/60/591456860.db2.gz MVBNWJLYHOONDF-UHFFFAOYSA-N -1 3 204.613 0.857 20 0 BCADHM CCN1CC[C@H]1CN=c1ncnc2[nH][n-]cc1-2 ZINC000882961115 591486928 /nfs/dbraw/zinc/48/69/28/591486928.db2.gz GBFUWSJKNDMJAB-QMMMGPOBSA-N -1 3 232.291 0.233 20 0 BCADHM CC(=O)[N-]OCCCOC(F)(F)F ZINC000882964194 591487006 /nfs/dbraw/zinc/48/70/06/591487006.db2.gz VTJWOSOABTWCKU-UHFFFAOYSA-N -1 3 201.144 0.981 20 0 BCADHM CC[C@@H](CCO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095162738 598973506 /nfs/dbraw/zinc/97/35/06/598973506.db2.gz FEYWJLPAJJQNSO-VIFPVBQESA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@H](CCO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095162738 598973507 /nfs/dbraw/zinc/97/35/07/598973507.db2.gz FEYWJLPAJJQNSO-VIFPVBQESA-N -1 3 248.290 0.835 20 0 BCADHM CCN(CCC(=O)[O-])CCn1ccccc1=O ZINC000214514700 591579331 /nfs/dbraw/zinc/57/93/31/591579331.db2.gz QSGMJOBRTSOTCR-UHFFFAOYSA-N -1 3 238.287 0.645 20 0 BCADHM CCCCS(=O)(=O)[N-][C@H]1CCOC1=O ZINC000028388075 591705817 /nfs/dbraw/zinc/70/58/17/591705817.db2.gz GSTUTQUVYFZLFS-ZETCQYMHSA-N -1 3 221.278 0.021 20 0 BCADHM CCCC[C@H](C(=O)[O-])N1CCN(C(C)=O)CC1 ZINC000132531245 591717335 /nfs/dbraw/zinc/71/73/35/591717335.db2.gz BRWGPICCTYZSLW-LLVKDONJSA-N -1 3 242.319 0.794 20 0 BCADHM CCCC[C@@H](C(=O)[O-])N1CCN(CCO)CC1 ZINC000132552189 591718290 /nfs/dbraw/zinc/71/82/90/591718290.db2.gz XMCKUNDJXFOARH-NSHDSACASA-N -1 3 244.335 0.240 20 0 BCADHM COCCN/C=C1/C(=O)[N-]C(=O)c2ccccc21 ZINC000029184674 591776804 /nfs/dbraw/zinc/77/68/04/591776804.db2.gz WIIUDZRVVAXJDZ-DHZHZOJOSA-N -1 3 246.266 0.534 20 0 BCADHM CCN(C/C=C(\C)C(=O)[O-])CCOC ZINC000214733505 591781914 /nfs/dbraw/zinc/78/19/14/591781914.db2.gz LQIOOVIKABSMBQ-WEVVVXLNSA-N -1 3 201.266 0.986 20 0 BCADHM COc1nn(C)cc1C(=O)[N-]OCCSC ZINC000883968749 591785219 /nfs/dbraw/zinc/78/52/19/591785219.db2.gz KWZINZAGTGJTOY-UHFFFAOYSA-N -1 3 245.304 0.453 20 0 BCADHM O=C(COC(=O)c1cncc([O-])c1)C(F)F ZINC000800164925 591830045 /nfs/dbraw/zinc/83/00/45/591830045.db2.gz JVJYECCFDAHLRQ-UHFFFAOYSA-N -1 3 231.154 0.778 20 0 BCADHM CCOCCCC(=O)[N-]OCCOC ZINC000133740185 591852981 /nfs/dbraw/zinc/85/29/81/591852981.db2.gz BVSOBALAJQAVAE-UHFFFAOYSA-N -1 3 205.254 0.497 20 0 BCADHM COCCO[N-]C(=O)[C@H]1CCSC1 ZINC000133775374 591856252 /nfs/dbraw/zinc/85/62/52/591856252.db2.gz YTBSTYVXFRBOPS-ZETCQYMHSA-N -1 3 205.279 0.434 20 0 BCADHM CN(C)CC(=O)[N-]OCC(F)(F)F ZINC000133804948 591861122 /nfs/dbraw/zinc/86/11/22/591861122.db2.gz LNIHDHLYTSPNBY-UHFFFAOYSA-N -1 3 200.160 0.158 20 0 BCADHM CO[N-]C(=O)[C@@H](N)Cc1cc2ccccc2o1 ZINC000884175041 591866950 /nfs/dbraw/zinc/86/69/50/591866950.db2.gz GUMYGJKQVWZRPS-JTQLQIEISA-N -1 3 234.255 0.980 20 0 BCADHM O=C(CNC1CC1)[N-]OCC(F)(F)F ZINC000134180497 591899221 /nfs/dbraw/zinc/89/92/21/591899221.db2.gz IJZRXGCMZJBDQA-UHFFFAOYSA-N -1 3 212.171 0.349 20 0 BCADHM COCCO[N-]C(=O)CC[C@H]1CCCO1 ZINC000135134302 591992144 /nfs/dbraw/zinc/99/21/44/591992144.db2.gz ZBMSXPOIVJDXMW-SECBINFHSA-N -1 3 217.265 0.640 20 0 BCADHM COCCONC(=O)c1ccccc1[O-] ZINC000135145700 591992330 /nfs/dbraw/zinc/99/23/30/591992330.db2.gz QLABTTGPAKUZLS-UHFFFAOYSA-N -1 3 211.217 0.700 20 0 BCADHM CC(=O)N1CCC[C@H](C(=O)[N-]OCC(C)C)C1 ZINC000135340287 592008637 /nfs/dbraw/zinc/00/86/37/592008637.db2.gz JIFRGFOTYUJODC-NSHDSACASA-N -1 3 242.319 0.949 20 0 BCADHM COc1ccccc1NC([O-])=NOCC(N)=O ZINC000135739031 592043386 /nfs/dbraw/zinc/04/33/86/592043386.db2.gz IWRNLUZWZPMMHH-UHFFFAOYSA-N -1 3 239.231 0.234 20 0 BCADHM COc1ccccc1NC(=O)[N-]OCC(N)=O ZINC000135739031 592043390 /nfs/dbraw/zinc/04/33/90/592043390.db2.gz IWRNLUZWZPMMHH-UHFFFAOYSA-N -1 3 239.231 0.234 20 0 BCADHM NC(=O)CON=C([O-])Nc1ccc(Cl)cc1 ZINC000135739447 592043770 /nfs/dbraw/zinc/04/37/70/592043770.db2.gz XYCGUPKVLNJDQA-UHFFFAOYSA-N -1 3 243.650 0.878 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccc(Cl)cc1 ZINC000135739447 592043772 /nfs/dbraw/zinc/04/37/72/592043772.db2.gz XYCGUPKVLNJDQA-UHFFFAOYSA-N -1 3 243.650 0.878 20 0 BCADHM CCCNS(=O)(=O)[N-]C(CF)CF ZINC000885413643 592076883 /nfs/dbraw/zinc/07/68/83/592076883.db2.gz KBECSNCUFYZXSU-UHFFFAOYSA-N -1 3 216.253 0.128 20 0 BCADHM C[C@@H](CF)[N-]S(=O)(=O)c1ccoc1 ZINC000885408771 592075757 /nfs/dbraw/zinc/07/57/57/592075757.db2.gz IDYTXYKDGGVJLB-LURJTMIESA-N -1 3 207.226 0.916 20 0 BCADHM COC[C@H](C)S(=O)(=O)[N-]C(CF)CF ZINC000885418438 592077211 /nfs/dbraw/zinc/07/72/11/592077211.db2.gz SGWJJTLIVZPPNZ-LURJTMIESA-N -1 3 231.264 0.248 20 0 BCADHM COC[C@@H](C)S(=O)(=O)[N-]C(CF)CF ZINC000885418439 592077469 /nfs/dbraw/zinc/07/74/69/592077469.db2.gz SGWJJTLIVZPPNZ-ZCFIWIBFSA-N -1 3 231.264 0.248 20 0 BCADHM COC[C@@H](CNC(=O)c1c[n-]nn1)C(C)C ZINC000885810684 592102556 /nfs/dbraw/zinc/10/25/56/592102556.db2.gz IIYZIWQBKRUFRB-MRVPVSSYSA-N -1 3 226.280 0.453 20 0 BCADHM COC[C@@H](CNC(=O)c1cnn[n-]1)C(C)C ZINC000885810684 592102558 /nfs/dbraw/zinc/10/25/58/592102558.db2.gz IIYZIWQBKRUFRB-MRVPVSSYSA-N -1 3 226.280 0.453 20 0 BCADHM COC[C@@H](CNC(=O)c1cn[n-]n1)C(C)C ZINC000885810684 592102560 /nfs/dbraw/zinc/10/25/60/592102560.db2.gz IIYZIWQBKRUFRB-MRVPVSSYSA-N -1 3 226.280 0.453 20 0 BCADHM C[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])N(C)C1CC1 ZINC000217812109 592149680 /nfs/dbraw/zinc/14/96/80/592149680.db2.gz MBXQBEINKRSEBO-QNSHHTMESA-N -1 3 240.303 0.306 20 0 BCADHM CC(C)[C@@H](C)NC(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000218292898 592153314 /nfs/dbraw/zinc/15/33/14/592153314.db2.gz JXCQRBAIMAMMJK-NXEZZACHSA-N -1 3 242.319 0.554 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)C[C@@H]1C[C@]12CCOC2 ZINC000886251610 592187219 /nfs/dbraw/zinc/18/72/19/592187219.db2.gz GWMMYLDQFRBUOR-KWQFWETISA-N -1 3 239.275 0.634 20 0 BCADHM CC1=NO[C@@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886275109 592194450 /nfs/dbraw/zinc/19/44/50/592194450.db2.gz OELQXMHERDXKKR-SNVBAGLBSA-N -1 3 235.243 0.568 20 0 BCADHM O=C(COC(F)F)NCc1cncc([O-])c1 ZINC000886275252 592194619 /nfs/dbraw/zinc/19/46/19/592194619.db2.gz SRJAFKKFXUONNB-UHFFFAOYSA-N -1 3 232.186 0.643 20 0 BCADHM C=CC(=O)NCCC(=O)NCc1cncc([O-])c1 ZINC000886277845 592196567 /nfs/dbraw/zinc/19/65/67/592196567.db2.gz DSBVKKPRUMNGGB-UHFFFAOYSA-N -1 3 249.270 0.096 20 0 BCADHM O=C(CCc1ncc[nH]1)NCc1cncc([O-])c1 ZINC000886276574 592196642 /nfs/dbraw/zinc/19/66/42/592196642.db2.gz MNQRNDVBDJIJCX-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM O=C(CN1CCCC1)NCc1cncc([O-])c1 ZINC000886278019 592197039 /nfs/dbraw/zinc/19/70/39/592197039.db2.gz KPKFRKZWZRISIG-UHFFFAOYSA-N -1 3 235.287 0.499 20 0 BCADHM COCCC(=O)NCc1cncc([O-])c1 ZINC000886279886 592198420 /nfs/dbraw/zinc/19/84/20/592198420.db2.gz NIAPJIQBVZYMJS-UHFFFAOYSA-N -1 3 210.233 0.440 20 0 BCADHM O=C(C[C@@H]1CCC(=O)N1)NCc1cncc([O-])c1 ZINC000886279825 592198711 /nfs/dbraw/zinc/19/87/11/592198711.db2.gz LQDWMHHFBQIGKM-VIFPVBQESA-N -1 3 249.270 0.072 20 0 BCADHM C[C@H](CNC(=O)NCCC(=O)[O-])N(C)C1CC1 ZINC000220095979 592277870 /nfs/dbraw/zinc/27/78/70/592277870.db2.gz MUUCOYMMELLWPV-MRVPVSSYSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@H](O)CNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000139416216 592398384 /nfs/dbraw/zinc/39/83/84/592398384.db2.gz AWFBYYUTQBAEQR-LURJTMIESA-N -1 3 239.227 0.232 20 0 BCADHM CCc1cnc(NC(=O)c2n[n-]nc2C)o1 ZINC000887237457 592468898 /nfs/dbraw/zinc/46/88/98/592468898.db2.gz UJWTYKMRAIZUMN-UHFFFAOYSA-N -1 3 221.220 0.916 20 0 BCADHM CC(C)(CNC(=O)c1c[n-]nn1)C1CC1 ZINC000887379566 592498985 /nfs/dbraw/zinc/49/89/85/592498985.db2.gz YJGRVEZDQWPPJG-UHFFFAOYSA-N -1 3 208.265 0.971 20 0 BCADHM CC(C)(CNC(=O)c1cnn[n-]1)C1CC1 ZINC000887379566 592498988 /nfs/dbraw/zinc/49/89/88/592498988.db2.gz YJGRVEZDQWPPJG-UHFFFAOYSA-N -1 3 208.265 0.971 20 0 BCADHM CC(C)(CNC(=O)c1cn[n-]n1)C1CC1 ZINC000887379566 592498991 /nfs/dbraw/zinc/49/89/91/592498991.db2.gz YJGRVEZDQWPPJG-UHFFFAOYSA-N -1 3 208.265 0.971 20 0 BCADHM C[S@@](=O)CCNCc1cccc(C(=O)[O-])c1 ZINC000300011658 592499945 /nfs/dbraw/zinc/49/99/45/592499945.db2.gz WPFKMKUDGJDFQZ-MRXNPFEDSA-N -1 3 241.312 0.853 20 0 BCADHM Cc1cc(C(=O)N2CC[C@H]2CO)ccc1[O-] ZINC000889148343 592586042 /nfs/dbraw/zinc/58/60/42/592586042.db2.gz UIKDVSRKSJVSND-JTQLQIEISA-N -1 3 221.256 0.907 20 0 BCADHM CCc1cc(C(=O)[N-]c2nnn(C)n2)no1 ZINC000889623535 592632346 /nfs/dbraw/zinc/63/23/46/592632346.db2.gz SRHFJMLBBCHANK-UHFFFAOYSA-N -1 3 222.208 0.013 20 0 BCADHM CC(C)c1ocnc1C(=O)[N-]c1nnn(C)n1 ZINC000889632433 592636095 /nfs/dbraw/zinc/63/60/95/592636095.db2.gz XDNVHXOXPWOWQJ-UHFFFAOYSA-N -1 3 236.235 0.574 20 0 BCADHM CCc1noc(C)c1C(=O)[N-]c1nnn(C)n1 ZINC000889634355 592636578 /nfs/dbraw/zinc/63/65/78/592636578.db2.gz RONJYEXKIGYAHG-UHFFFAOYSA-N -1 3 236.235 0.321 20 0 BCADHM C[C@@H]1CO[C@@H](C(=O)[N-]c2nncn2C)C1 ZINC000889964504 592664658 /nfs/dbraw/zinc/66/46/58/592664658.db2.gz HVCOGLDJIMNNGV-NKWVEPMBSA-N -1 3 210.237 0.179 20 0 BCADHM C[C@@H](O)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC000095153324 599052307 /nfs/dbraw/zinc/05/23/07/599052307.db2.gz QGTPYZBOLIANBL-MRVPVSSYSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@@H](O)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC000095153324 599052311 /nfs/dbraw/zinc/05/23/11/599052311.db2.gz QGTPYZBOLIANBL-MRVPVSSYSA-N -1 3 248.290 0.469 20 0 BCADHM CN(C(=O)CN1CCC(C(=O)[O-])CC1)C1CC1 ZINC000049306340 596915626 /nfs/dbraw/zinc/91/56/26/596915626.db2.gz ZQHDNEXCVLIHIW-UHFFFAOYSA-N -1 3 240.303 0.404 20 0 BCADHM C[C@@H](C(=O)NC1CCCC1)N(C)CCC(=O)[O-] ZINC000037933129 596997829 /nfs/dbraw/zinc/99/78/29/596997829.db2.gz REABMWPXSBDGKN-VIFPVBQESA-N -1 3 242.319 0.840 20 0 BCADHM CCN(CC)C(=O)CN(C)CCCC(=O)[O-] ZINC000042318954 597061321 /nfs/dbraw/zinc/06/13/21/597061321.db2.gz ABSDZTYSUIRRPG-UHFFFAOYSA-N -1 3 230.308 0.651 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1CCCCCC1 ZINC000033433894 597121480 /nfs/dbraw/zinc/12/14/80/597121480.db2.gz FHTSNPOZAHIRMJ-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM OCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095141810 607302693 /nfs/dbraw/zinc/30/26/93/607302693.db2.gz NOMKRIPSMLAOQC-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM OCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095141810 607302694 /nfs/dbraw/zinc/30/26/94/607302694.db2.gz NOMKRIPSMLAOQC-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000251534345 600161059 /nfs/dbraw/zinc/16/10/59/600161059.db2.gz XTZAFCXUOIFVDQ-UJNFCWOMSA-N -1 3 238.287 0.060 20 0 BCADHM CCC[C@@H](C(=O)N(C)[C@H](C)C(=O)[O-])N(C)C ZINC000820304454 598146222 /nfs/dbraw/zinc/14/62/22/598146222.db2.gz TZOASPSSMBRXNQ-BDAKNGLRSA-N -1 3 230.308 0.648 20 0 BCADHM CC(C)[C@@H](NCc1ncnn1C)C(=O)[O-] ZINC000083972294 598189077 /nfs/dbraw/zinc/18/90/77/598189077.db2.gz OXNHPHORIIAYPS-MRVPVSSYSA-N -1 3 212.253 0.014 20 0 BCADHM O=C([O-])C1CCN(Cn2cnnc2)CC1 ZINC000738545153 598195877 /nfs/dbraw/zinc/19/58/77/598195877.db2.gz UAIDEJGOXRZSLG-UHFFFAOYSA-N -1 3 210.237 0.032 20 0 BCADHM CN1C[C@H](NCc2cccc(C(=O)[O-])c2)CC1=O ZINC000311070900 598203256 /nfs/dbraw/zinc/20/32/56/598203256.db2.gz UYFZKLICKDEEMX-LLVKDONJSA-N -1 3 248.282 0.705 20 0 BCADHM COCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000095190689 598571126 /nfs/dbraw/zinc/57/11/26/598571126.db2.gz VNQQFTRWRPBGAY-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM COCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000095190689 598571127 /nfs/dbraw/zinc/57/11/27/598571127.db2.gz VNQQFTRWRPBGAY-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM CC(=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000095131564 598625384 /nfs/dbraw/zinc/62/53/84/598625384.db2.gz KUCJSLUNDRUXJC-UHFFFAOYSA-N -1 3 221.195 0.964 20 0 BCADHM O[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC000095143367 598672733 /nfs/dbraw/zinc/67/27/33/598672733.db2.gz ITJQVVDADVZMKW-SECBINFHSA-N -1 3 246.274 0.445 20 0 BCADHM O[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC000095143367 598672735 /nfs/dbraw/zinc/67/27/35/598672735.db2.gz ITJQVVDADVZMKW-SECBINFHSA-N -1 3 246.274 0.445 20 0 BCADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000738380924 598674014 /nfs/dbraw/zinc/67/40/14/598674014.db2.gz DJYWWQZYSCEQQT-VIFPVBQESA-N -1 3 246.274 0.445 20 0 BCADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000738380924 598674016 /nfs/dbraw/zinc/67/40/16/598674016.db2.gz DJYWWQZYSCEQQT-VIFPVBQESA-N -1 3 246.274 0.445 20 0 BCADHM O[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000095218530 598809508 /nfs/dbraw/zinc/80/95/08/598809508.db2.gz DEMGZLLWGRUREF-SSDOTTSWSA-N -1 3 249.249 0.577 20 0 BCADHM O[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000095218530 598809509 /nfs/dbraw/zinc/80/95/09/598809509.db2.gz DEMGZLLWGRUREF-SSDOTTSWSA-N -1 3 249.249 0.577 20 0 BCADHM OC[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC000095220108 598816030 /nfs/dbraw/zinc/81/60/30/598816030.db2.gz YSRRAVFANLBFHD-QMMMGPOBSA-N -1 3 246.274 0.223 20 0 BCADHM OC[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC000095220108 598816032 /nfs/dbraw/zinc/81/60/32/598816032.db2.gz YSRRAVFANLBFHD-QMMMGPOBSA-N -1 3 246.274 0.223 20 0 BCADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000095163766 598805614 /nfs/dbraw/zinc/80/56/14/598805614.db2.gz FZTLQXFMJZEPMA-UHFFFAOYSA-N -1 3 230.231 0.610 20 0 BCADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000095163766 598805615 /nfs/dbraw/zinc/80/56/15/598805615.db2.gz FZTLQXFMJZEPMA-UHFFFAOYSA-N -1 3 230.231 0.610 20 0 BCADHM O[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000095218529 598809236 /nfs/dbraw/zinc/80/92/36/598809236.db2.gz DEMGZLLWGRUREF-ZETCQYMHSA-N -1 3 249.249 0.577 20 0 BCADHM O[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000095218529 598809238 /nfs/dbraw/zinc/80/92/38/598809238.db2.gz DEMGZLLWGRUREF-ZETCQYMHSA-N -1 3 249.249 0.577 20 0 BCADHM CNC(=O)CCN(C)Cc1occc1C(=O)[O-] ZINC000234357050 599772151 /nfs/dbraw/zinc/77/21/51/599772151.db2.gz ATKBVBKUQZYKAW-UHFFFAOYSA-N -1 3 240.259 0.546 20 0 BCADHM CC[C@H]1CCCN1CC(=O)NCC(=O)[O-] ZINC000381255029 599787692 /nfs/dbraw/zinc/78/76/92/599787692.db2.gz QMPAKBJRPWUADH-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM O=C([O-])c1occc1CN1CCC[C@H]1CO ZINC000042433073 599813354 /nfs/dbraw/zinc/81/33/54/599813354.db2.gz RRGWQAHGASLGLL-VIFPVBQESA-N -1 3 225.244 0.935 20 0 BCADHM O=C([O-])c1occc1CNCCn1cccn1 ZINC000236475265 599924437 /nfs/dbraw/zinc/92/44/37/599924437.db2.gz WHEWZWXXRYMLJT-UHFFFAOYSA-N -1 3 235.243 0.964 20 0 BCADHM NC(=O)[C@H]1CCCN1C1CCN(C(=O)[O-])CC1 ZINC000739158591 600060486 /nfs/dbraw/zinc/06/04/86/600060486.db2.gz DBMMEKVYOAZBDG-SECBINFHSA-N -1 3 241.291 0.079 20 0 BCADHM CCCN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000045695034 600162580 /nfs/dbraw/zinc/16/25/80/600162580.db2.gz DCZMCCICBJKCEA-ZJUUUORDSA-N -1 3 242.319 0.507 20 0 BCADHM CCN(CC)CC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000737085494 600200896 /nfs/dbraw/zinc/20/08/96/600200896.db2.gz MRSJNPGRDKLQAX-LBPRGKRZSA-N -1 3 242.319 0.698 20 0 BCADHM CC(C)NC(=O)CN(C)CCCC(=O)[O-] ZINC000042608391 600223391 /nfs/dbraw/zinc/22/33/91/600223391.db2.gz HQEIXPSWBLGKOH-UHFFFAOYSA-N -1 3 216.281 0.308 20 0 BCADHM O=C([O-])c1occc1CN(CCO)CCCO ZINC000385240925 600317253 /nfs/dbraw/zinc/31/72/53/600317253.db2.gz CNEHWPYIHHMKTI-UHFFFAOYSA-N -1 3 243.259 0.155 20 0 BCADHM Cc1ncc(CN2CCC[C@H]2C(=O)[O-])cn1 ZINC000738883295 600441449 /nfs/dbraw/zinc/44/14/49/600441449.db2.gz KEWWGFJTFAEARB-JTQLQIEISA-N -1 3 221.260 0.834 20 0 BCADHM CCN(CC)CC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000737086338 600645040 /nfs/dbraw/zinc/64/50/40/600645040.db2.gz WDPKMCGLETVNKR-SNVBAGLBSA-N -1 3 244.335 0.944 20 0 BCADHM C[C@H]1CN(C[C@@](C)(O)C(=O)[O-])CC(C)(C)O1 ZINC000227069676 600762497 /nfs/dbraw/zinc/76/24/97/600762497.db2.gz DUNOESRNURCPQT-GZMMTYOYSA-N -1 3 231.292 0.321 20 0 BCADHM CCCN(CCCS(C)(=O)=O)CC(=O)[O-] ZINC000063016095 600740356 /nfs/dbraw/zinc/74/03/56/600740356.db2.gz RBIIEOXFFDRWBC-UHFFFAOYSA-N -1 3 237.321 0.218 20 0 BCADHM CN(CC(=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000381119628 601029318 /nfs/dbraw/zinc/02/93/18/601029318.db2.gz IFZDMRCUVNTJQI-IUCAKERBSA-N -1 3 249.332 0.359 20 0 BCADHM CC(=O)NC1CCN(C/C=C(/C)C(=O)[O-])CC1 ZINC000228288213 601159558 /nfs/dbraw/zinc/15/95/58/601159558.db2.gz FESMQSXEOGGKJU-OQFOIZHKSA-N -1 3 240.303 0.618 20 0 BCADHM C[C@@]1(O)CCN(Cc2ccoc2C(=O)[O-])C1 ZINC000235464271 601182338 /nfs/dbraw/zinc/18/23/38/601182338.db2.gz OIKQNTRBDYOCPQ-LLVKDONJSA-N -1 3 225.244 0.935 20 0 BCADHM O=C([O-])CCCN1CC[C@](O)(C(F)(F)F)C1 ZINC000380867453 601421401 /nfs/dbraw/zinc/42/14/01/601421401.db2.gz YEHVYEZVWCJNRQ-MRVPVSSYSA-N -1 3 241.209 0.850 20 0 BCADHM CC1(CN2CC[C@](F)(C(=O)[O-])C2)COC1 ZINC000828087580 601435805 /nfs/dbraw/zinc/43/58/05/601435805.db2.gz BWMFPCVKQQPWHP-SNVBAGLBSA-N -1 3 217.240 0.522 20 0 BCADHM COCCCCN1CC[C@](F)(C(=O)[O-])C1 ZINC000831692388 601442775 /nfs/dbraw/zinc/44/27/75/601442775.db2.gz SETGHKUGPUJTFU-SNVBAGLBSA-N -1 3 219.256 0.912 20 0 BCADHM O=C([O-])C[C@H]1CN(C[C@@H]2CCOC2)CCO1 ZINC000227563782 601451877 /nfs/dbraw/zinc/45/18/77/601451877.db2.gz AGSISGMJASATRX-UWVGGRQHSA-N -1 3 229.276 0.198 20 0 BCADHM C[C@H]1CN(CCCS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000082557898 601504487 /nfs/dbraw/zinc/50/44/87/601504487.db2.gz ZCCZAGQJLCAJPT-IUCAKERBSA-N -1 3 249.332 0.074 20 0 BCADHM CCCNC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000223839035 601532236 /nfs/dbraw/zinc/53/22/36/601532236.db2.gz WKTVBAUOJFANHN-BDAKNGLRSA-N -1 3 228.292 0.165 20 0 BCADHM O=C([O-])c1cccc(CN(CCO)CCO)c1 ZINC000040750773 601574742 /nfs/dbraw/zinc/57/47/42/601574742.db2.gz ONAANCIVBKTWMK-UHFFFAOYSA-N -1 3 239.271 0.171 20 0 BCADHM CC[C@@H](NC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000380169388 601750717 /nfs/dbraw/zinc/75/07/17/601750717.db2.gz DCJGYTVMBJQSSO-MRVPVSSYSA-N -1 3 216.281 0.306 20 0 BCADHM COCC[C@H](C)N1CCO[C@H](C(=O)[O-])C1 ZINC000083415293 601822574 /nfs/dbraw/zinc/82/25/74/601822574.db2.gz QSXLUDHNNYTTLU-IUCAKERBSA-N -1 3 217.265 0.197 20 0 BCADHM C/C(=C/CN1CCSC[C@H]1CCO)C(=O)[O-] ZINC000689293439 601874962 /nfs/dbraw/zinc/87/49/62/601874962.db2.gz FEPRRVSWOAIBHW-DEOKZEPKSA-N -1 3 245.344 0.817 20 0 BCADHM CC(C)CNC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000062936193 601918628 /nfs/dbraw/zinc/91/86/28/601918628.db2.gz JCHAOFVODUSIDB-LBPRGKRZSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@H](CN1CC[C@@H](C(=O)[O-])C1)CS(C)(=O)=O ZINC000705584421 601942187 /nfs/dbraw/zinc/94/21/87/601942187.db2.gz SLMICMGIGFISLH-RKDXNWHRSA-N -1 3 249.332 0.074 20 0 BCADHM C[C@H](CN(CC(=O)[O-])C1CC1)CS(C)(=O)=O ZINC000705564752 601963284 /nfs/dbraw/zinc/96/32/84/601963284.db2.gz QRIFLVDXUBJWRN-MRVPVSSYSA-N -1 3 249.332 0.216 20 0 BCADHM COCCN1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739835014 601969458 /nfs/dbraw/zinc/96/94/58/601969458.db2.gz RZUWNKJLLTULBI-VIFPVBQESA-N -1 3 216.281 0.707 20 0 BCADHM C[C@H](NCCNC(=O)[O-])c1ccncc1 ZINC000739035602 602045733 /nfs/dbraw/zinc/04/57/33/602045733.db2.gz QDSYXUWDMDWSMY-QMMMGPOBSA-N -1 3 209.249 1.000 20 0 BCADHM O=C([O-])N1CCC(CNCc2ncc[nH]2)CC1 ZINC000740496042 602097283 /nfs/dbraw/zinc/09/72/83/602097283.db2.gz JCEITUNLHICHAS-UHFFFAOYSA-N -1 3 238.291 0.889 20 0 BCADHM CCCN(CCN(C)C)C(=O)[C@@H](C)CC(=O)[O-] ZINC000829492169 602151243 /nfs/dbraw/zinc/15/12/43/602151243.db2.gz VHEJBOQFMNRVPM-JTQLQIEISA-N -1 3 244.335 0.897 20 0 BCADHM CCN(CC)CC(=O)NC(C)(C)CNC(=O)[O-] ZINC000739407350 602303805 /nfs/dbraw/zinc/30/38/05/602303805.db2.gz KDTIDAKZNRFHQO-UHFFFAOYSA-N -1 3 245.323 0.491 20 0 BCADHM CC(=O)CCN1CCC(NC(=O)[O-])CC1 ZINC000738512701 602376148 /nfs/dbraw/zinc/37/61/48/602376148.db2.gz VOKQCHZWEWQFKI-UHFFFAOYSA-N -1 3 214.265 0.698 20 0 BCADHM CC[C@H](C(N)=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739215312 602542710 /nfs/dbraw/zinc/54/27/10/602542710.db2.gz XWIHWPMSSCGFOF-DTWKUNHWSA-N -1 3 243.307 0.182 20 0 BCADHM C[C@H](CNC(=O)[O-])N(C)C[C@@H]1CCCO1 ZINC000738941037 602558920 /nfs/dbraw/zinc/55/89/20/602558920.db2.gz SKMMMSILKHCCKH-BDAKNGLRSA-N -1 3 216.281 0.753 20 0 BCADHM C[C@H](CNC(=O)[O-])N(C)C[C@H]1CCCO1 ZINC000738941042 602559136 /nfs/dbraw/zinc/55/91/36/602559136.db2.gz SKMMMSILKHCCKH-RKDXNWHRSA-N -1 3 216.281 0.753 20 0 BCADHM CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739348184 602593998 /nfs/dbraw/zinc/59/39/98/602593998.db2.gz HAOHVAVYEUZULV-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM C[C@H]1CN(CCCCO)C[C@H](C)N1C(=O)[O-] ZINC000739184129 602839245 /nfs/dbraw/zinc/83/92/45/602839245.db2.gz VBBXVKGNUYMQAM-UWVGGRQHSA-N -1 3 230.308 0.832 20 0 BCADHM CCn1cc(CN[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000739565521 602876335 /nfs/dbraw/zinc/87/63/35/602876335.db2.gz CBNXGLSRYAPOKS-SNVBAGLBSA-N -1 3 238.291 0.745 20 0 BCADHM Cc1n[nH]cc1CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000740208719 602876409 /nfs/dbraw/zinc/87/64/09/602876409.db2.gz PUQAZYPMHDAPJQ-SECBINFHSA-N -1 3 224.264 0.560 20 0 BCADHM Cc1n[nH]cc1CN[C@H]1CCN(C(=O)[O-])C1 ZINC000740208720 602878075 /nfs/dbraw/zinc/87/80/75/602878075.db2.gz PUQAZYPMHDAPJQ-VIFPVBQESA-N -1 3 224.264 0.560 20 0 BCADHM O=C([O-])NC[C@@H](NCc1cncnc1)C1CC1 ZINC000740611233 603072624 /nfs/dbraw/zinc/07/26/24/603072624.db2.gz DLBCZEIZUZEKFP-SNVBAGLBSA-N -1 3 236.275 0.612 20 0 BCADHM CC(C)[C@@H](CNC(=O)[O-])N1CCN(C)CC1 ZINC000736350921 603121147 /nfs/dbraw/zinc/12/11/47/603121147.db2.gz BJZOEEIFOKMVPV-SNVBAGLBSA-N -1 3 229.324 0.526 20 0 BCADHM CC[C@H](NC(=O)[O-])C(=O)NCCN1CCCC1 ZINC000739531966 603182264 /nfs/dbraw/zinc/18/22/64/603182264.db2.gz SBVHVYPJVUDYKK-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM Cn1cc(CN[C@@H]2CCCN(C(=O)[O-])C2)cn1 ZINC000740290035 603246984 /nfs/dbraw/zinc/24/69/84/603246984.db2.gz KVYYWIXWXMVIKW-SNVBAGLBSA-N -1 3 238.291 0.652 20 0 BCADHM C[C@H](NC(=O)[O-])C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000738976038 603286253 /nfs/dbraw/zinc/28/62/53/603286253.db2.gz CKYGOFKVOPUPBF-DTWKUNHWSA-N -1 3 243.307 0.195 20 0 BCADHM C[C@@H]1CN(C[C@H]2CCOC2)CCN1C(=O)[O-] ZINC000739181053 603366444 /nfs/dbraw/zinc/36/64/44/603366444.db2.gz QVOXMNNUNFONLH-NXEZZACHSA-N -1 3 228.292 0.707 20 0 BCADHM O=C([O-])N[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC000740592942 604373591 /nfs/dbraw/zinc/37/35/91/604373591.db2.gz CZOCEZYRGXIUIH-ZJUUUORDSA-N -1 3 228.292 0.897 20 0 BCADHM CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000257738606 604583893 /nfs/dbraw/zinc/58/38/93/604583893.db2.gz XPWRQFLXDSXVJP-NXEZZACHSA-N -1 3 240.303 0.546 20 0 BCADHM Cn1nncc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000394991687 604595548 /nfs/dbraw/zinc/59/55/48/604595548.db2.gz FVSBBLLXNVMDFJ-SECBINFHSA-N -1 3 238.291 0.644 20 0 BCADHM Cn1nncc1CN1CCC[C@@H]1CC(=O)[O-] ZINC000394961257 604659676 /nfs/dbraw/zinc/65/96/76/604659676.db2.gz PTMQIGDJNNDHBC-MRVPVSSYSA-N -1 3 224.264 0.254 20 0 BCADHM O=C([O-])[C@@H]1CN(C[C@H]2CCCOC2)CCO1 ZINC000083415274 604776520 /nfs/dbraw/zinc/77/65/20/604776520.db2.gz FRLBBEORBXAVPX-ZJUUUORDSA-N -1 3 229.276 0.198 20 0 BCADHM C[C@@H](CN(C)[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000042706176 604963808 /nfs/dbraw/zinc/96/38/08/604963808.db2.gz WMLYNPXSXLWNLC-YUMQZZPRSA-N -1 3 216.281 0.116 20 0 BCADHM CC(C)(C)NC(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000042163604 604968088 /nfs/dbraw/zinc/96/80/88/604968088.db2.gz RAVRHXDIBRMJPS-SECBINFHSA-N -1 3 242.319 0.840 20 0 BCADHM O=C(NC1CC=CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826429288 607751586 /nfs/dbraw/zinc/75/15/86/607751586.db2.gz ZESPOAQTJDXQSG-UHFFFAOYSA-N -1 3 244.258 0.643 20 0 BCADHM O=C(NC1CC=CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826429288 607751587 /nfs/dbraw/zinc/75/15/87/607751587.db2.gz ZESPOAQTJDXQSG-UHFFFAOYSA-N -1 3 244.258 0.643 20 0 BCADHM CCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833860376 605566899 /nfs/dbraw/zinc/56/68/99/605566899.db2.gz SXHDGWXTTOACRT-RKDXNWHRSA-N -1 3 243.307 0.243 20 0 BCADHM CC(C)OC[C@H](O)CN1CC[C@H](NC(=O)[O-])C1 ZINC000738857058 605912426 /nfs/dbraw/zinc/91/24/26/605912426.db2.gz BJTUEMZVEWDMHA-VHSXEESVSA-N -1 3 246.307 0.114 20 0 BCADHM CCOCCN1CC[C@H](NC(=O)[O-])C1 ZINC000739493988 605931694 /nfs/dbraw/zinc/93/16/94/605931694.db2.gz WYXGKWPPSKMPQD-QMMMGPOBSA-N -1 3 202.254 0.365 20 0 BCADHM COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000095190193 606142753 /nfs/dbraw/zinc/14/27/53/606142753.db2.gz DKNPDYLBHDRJQK-UHFFFAOYSA-N -1 3 218.216 0.582 20 0 BCADHM COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000095190193 606142754 /nfs/dbraw/zinc/14/27/54/606142754.db2.gz DKNPDYLBHDRJQK-UHFFFAOYSA-N -1 3 218.216 0.582 20 0 BCADHM CC(C)N(CCO)c1ncccc1-c1nnn[n-]1 ZINC000095207987 606644124 /nfs/dbraw/zinc/64/41/24/606644124.db2.gz POOBLCSYXDITLX-UHFFFAOYSA-N -1 3 248.290 0.469 20 0 BCADHM CC(C)N(CCO)c1ncccc1-c1nn[n-]n1 ZINC000095207987 606644125 /nfs/dbraw/zinc/64/41/25/606644125.db2.gz POOBLCSYXDITLX-UHFFFAOYSA-N -1 3 248.290 0.469 20 0 BCADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)NCC1CC1 ZINC000826424392 607891263 /nfs/dbraw/zinc/89/12/63/607891263.db2.gz KOKNRKUGOATZAO-UHFFFAOYSA-N -1 3 246.274 0.194 20 0 BCADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)NCC1CC1 ZINC000826424392 607891264 /nfs/dbraw/zinc/89/12/64/607891264.db2.gz KOKNRKUGOATZAO-UHFFFAOYSA-N -1 3 246.274 0.194 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(NCCCO)n1 ZINC000095340213 608268695 /nfs/dbraw/zinc/26/86/95/608268695.db2.gz BLCMPSMNLZSYIJ-UHFFFAOYSA-N -1 3 234.263 0.364 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(NCCCO)n1 ZINC000095340213 608268694 /nfs/dbraw/zinc/26/86/94/608268694.db2.gz BLCMPSMNLZSYIJ-UHFFFAOYSA-N -1 3 234.263 0.364 20 0 BCADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@H](C)O)n1 ZINC000095211342 608551362 /nfs/dbraw/zinc/55/13/62/608551362.db2.gz LHCWSNMKWNKAMN-QMMMGPOBSA-N -1 3 248.290 0.671 20 0 BCADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@H](C)O)n1 ZINC000095211342 608551363 /nfs/dbraw/zinc/55/13/63/608551363.db2.gz LHCWSNMKWNKAMN-QMMMGPOBSA-N -1 3 248.290 0.671 20 0 BCADHM COC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095245336 608797781 /nfs/dbraw/zinc/79/77/81/608797781.db2.gz UOCPHVYLYDTSSI-SSDOTTSWSA-N -1 3 234.263 0.709 20 0 BCADHM COC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095245336 608797782 /nfs/dbraw/zinc/79/77/82/608797782.db2.gz UOCPHVYLYDTSSI-SSDOTTSWSA-N -1 3 234.263 0.709 20 0 BCADHM O=C(NC1CC=CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826428798 609225888 /nfs/dbraw/zinc/22/58/88/609225888.db2.gz LRKKJJCMXVZXNK-UHFFFAOYSA-N -1 3 244.258 0.643 20 0 BCADHM O=C(NC1CC=CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826428798 609225889 /nfs/dbraw/zinc/22/58/89/609225889.db2.gz LRKKJJCMXVZXNK-UHFFFAOYSA-N -1 3 244.258 0.643 20 0 BCADHM CCOC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000095174602 609631099 /nfs/dbraw/zinc/63/10/99/609631099.db2.gz LSULABIQOAIPQR-SECBINFHSA-N -1 3 248.242 0.463 20 0 BCADHM CCOC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000095174602 609631101 /nfs/dbraw/zinc/63/11/01/609631101.db2.gz LSULABIQOAIPQR-SECBINFHSA-N -1 3 248.242 0.463 20 0 BCADHM Cc1nc(N2C[C@@H](C)O[C@H](CO)C2)cc(=O)[n-]1 ZINC000299954598 634405179 /nfs/dbraw/zinc/40/51/79/634405179.db2.gz BFSISEVCXMEWFV-APPZFPTMSA-N -1 3 239.275 0.077 20 0 BCADHM CCOC1CC(O)(CNc2cc(=O)[n-]cn2)C1 ZINC000893529355 634570941 /nfs/dbraw/zinc/57/09/41/634570941.db2.gz VHQLKEVAHKTTSD-UHFFFAOYSA-N -1 3 239.275 0.524 20 0 BCADHM CCOc1nnc(NC(=O)CC[C@@H](C)OC)[n-]1 ZINC000228769270 635465708 /nfs/dbraw/zinc/46/57/08/635465708.db2.gz CLOORSBOEABHFU-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nc(NC(=O)CC[C@@H](C)OC)n[n-]1 ZINC000228769270 635465713 /nfs/dbraw/zinc/46/57/13/635465713.db2.gz CLOORSBOEABHFU-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1n[n-]c(NC(=O)CC[C@@H](C)OC)n1 ZINC000228769270 635465720 /nfs/dbraw/zinc/46/57/20/635465720.db2.gz CLOORSBOEABHFU-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CC(C)O[N-]C(=O)Nc1nnn(C(C)C)n1 ZINC000933458653 631382717 /nfs/dbraw/zinc/38/27/17/631382717.db2.gz GLYIHYQNLCWFJF-UHFFFAOYSA-N -1 3 228.256 0.716 20 0 BCADHM CCN(CC)C(=O)C[N-]c1nnc(C)o1 ZINC000309035940 631808453 /nfs/dbraw/zinc/80/84/53/631808453.db2.gz ICDIVUPNQBOGJH-UHFFFAOYSA-N -1 3 212.253 0.658 20 0 BCADHM O=C1[C@@H](Nc2cc(=O)[n-]cn2)C[C@@H]2CCCCN12 ZINC000894144581 635716010 /nfs/dbraw/zinc/71/60/10/635716010.db2.gz WDKUXNBSWGVUQH-IUCAKERBSA-N -1 3 248.286 0.748 20 0 BCADHM O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cnn[n-]1 ZINC000047610679 635756176 /nfs/dbraw/zinc/75/61/76/635756176.db2.gz BGZZMGOLAIPXGV-UHFFFAOYSA-N -1 3 244.214 0.227 20 0 BCADHM O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1c[n-]nn1 ZINC000047610679 635756182 /nfs/dbraw/zinc/75/61/82/635756182.db2.gz BGZZMGOLAIPXGV-UHFFFAOYSA-N -1 3 244.214 0.227 20 0 BCADHM O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cn[n-]n1 ZINC000047610679 635756188 /nfs/dbraw/zinc/75/61/88/635756188.db2.gz BGZZMGOLAIPXGV-UHFFFAOYSA-N -1 3 244.214 0.227 20 0 BCADHM CC(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000972867622 632716825 /nfs/dbraw/zinc/71/68/25/632716825.db2.gz VBONHKGGSPUSSV-MGCOHNPYSA-N -1 3 248.282 0.789 20 0 BCADHM N[C@@H](CC1CC1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000310517234 632750956 /nfs/dbraw/zinc/75/09/56/632750956.db2.gz RZFWORNFCXJHPX-JTQLQIEISA-N -1 3 240.303 0.437 20 0 BCADHM O=C(C[C@H]1CCCC1(F)F)[N-]OCCO ZINC000935454663 632779416 /nfs/dbraw/zinc/77/94/16/632779416.db2.gz DAGDBMPFKNBMRX-SSDOTTSWSA-N -1 3 223.219 0.852 20 0 BCADHM Cc1cc(C)n(CCCC(=O)[N-]OCCO)n1 ZINC000935456952 632781075 /nfs/dbraw/zinc/78/10/75/632781075.db2.gz QHGICNRBURLHKV-UHFFFAOYSA-N -1 3 241.291 0.320 20 0 BCADHM CCOc1nnc(NC(=O)C2CCC2)[n-]1 ZINC000162051852 632865945 /nfs/dbraw/zinc/86/59/45/632865945.db2.gz UKFMALLHNGWPLF-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM CCOc1nc(NC(=O)C2CCC2)n[n-]1 ZINC000162051852 632865947 /nfs/dbraw/zinc/86/59/47/632865947.db2.gz UKFMALLHNGWPLF-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2CCC2)n1 ZINC000162051852 632865951 /nfs/dbraw/zinc/86/59/51/632865951.db2.gz UKFMALLHNGWPLF-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM CC(=O)[N-]OCC(=O)Nc1ccc(F)cc1F ZINC000178195011 632987214 /nfs/dbraw/zinc/98/72/14/632987214.db2.gz JZPCTTILDQTKEH-UHFFFAOYSA-N -1 3 244.197 0.971 20 0 BCADHM CC(=O)[N-]OCC(=O)N1CCCC[C@@H]1C ZINC000178196388 632989128 /nfs/dbraw/zinc/98/91/28/632989128.db2.gz RZKZAFFOLORVFN-QMMMGPOBSA-N -1 3 214.265 0.455 20 0 BCADHM Cc1cnc(C(=O)NC[C@@H]2CCN2C)c([O-])c1 ZINC000928556547 636094698 /nfs/dbraw/zinc/09/46/98/636094698.db2.gz ATGKMALPPNYKLN-VIFPVBQESA-N -1 3 235.287 0.530 20 0 BCADHM O=C(c1cc2c(cc1[O-])OCO2)N1CC(F)C1 ZINC000436840315 633816400 /nfs/dbraw/zinc/81/64/00/633816400.db2.gz RYHVPEPSMIRUSJ-UHFFFAOYSA-N -1 3 239.202 0.915 20 0 BCADHM CSCCC(=O)[N-]OC[C@H]1CCOC1 ZINC000187825607 634122943 /nfs/dbraw/zinc/12/29/43/634122943.db2.gz NWUWKOFGSNWEEK-QMMMGPOBSA-N -1 3 219.306 0.824 20 0 BCADHM Cc1nc(N[C@H]2CCC(=O)N(C)C2)cc(=O)[n-]1 ZINC000162719331 634302838 /nfs/dbraw/zinc/30/28/38/634302838.db2.gz SHCBMLZEVRARGP-QMMMGPOBSA-N -1 3 236.275 0.523 20 0 BCADHM CCC(=O)[C@@H]1CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000909335197 634367866 /nfs/dbraw/zinc/36/78/66/634367866.db2.gz LUDBKLCKTXHNHH-VIFPVBQESA-N -1 3 249.270 0.766 20 0 BCADHM CCN(CC)CC(=O)NC1(C(=O)[O-])CCC1 ZINC000909337386 634372181 /nfs/dbraw/zinc/37/21/81/634372181.db2.gz BQQWLGNURYJSNR-UHFFFAOYSA-N -1 3 228.292 0.452 20 0 BCADHM O=c1cc(NCC[C@@]2(O)CCCOC2)nc[n-]1 ZINC000894409916 635891881 /nfs/dbraw/zinc/89/18/81/635891881.db2.gz UVWCDYDOTMTKKM-NSHDSACASA-N -1 3 239.275 0.526 20 0 BCADHM Cn1nccc1[C@@H](O)CNc1cc(=O)[n-]cn1 ZINC000896627241 636208475 /nfs/dbraw/zinc/20/84/75/636208475.db2.gz HEVFRTBZASHJPY-QMMMGPOBSA-N -1 3 235.247 0.061 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]OCc1ccccn1 ZINC000909538636 636232864 /nfs/dbraw/zinc/23/28/64/636232864.db2.gz RLFKZLLKFSLNOA-LLVKDONJSA-N -1 3 235.287 0.724 20 0 BCADHM Cc1[nH]cnc1CC(=O)[N-]OCc1ccccn1 ZINC000909541218 636235494 /nfs/dbraw/zinc/23/54/94/636235494.db2.gz QNQBASLCMISLAS-UHFFFAOYSA-N -1 3 246.270 0.904 20 0 BCADHM O=C([O-])[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000909612098 636343026 /nfs/dbraw/zinc/34/30/26/636343026.db2.gz FIRHLLGXUBWJOK-MRVPVSSYSA-N -1 3 223.232 0.028 20 0 BCADHM C[C@@H]1COC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000928901588 636481338 /nfs/dbraw/zinc/48/13/38/636481338.db2.gz GTAHXEQKIBDHTA-GMSGAONNSA-N -1 3 246.270 0.723 20 0 BCADHM Cc1c(=O)[n-]cnc1NC[C@@H](O)C1(O)CCC1 ZINC000899886376 637147779 /nfs/dbraw/zinc/14/77/79/637147779.db2.gz ICVVXWHCWQBCPX-MRVPVSSYSA-N -1 3 239.275 0.178 20 0 BCADHM CCC[C@@H](NC(=O)[C@H](CC)N(C)C)C(=O)[O-] ZINC000901487688 637255941 /nfs/dbraw/zinc/25/59/41/637255941.db2.gz AFBKRYQDDQIQGW-BDAKNGLRSA-N -1 3 230.308 0.696 20 0 BCADHM Cc1c(=O)[n-]cnc1NC[C@@](C)(O)C(F)F ZINC000905957503 638004255 /nfs/dbraw/zinc/00/42/55/638004255.db2.gz QNSJIRZFMRPVOT-SECBINFHSA-N -1 3 233.218 0.919 20 0 BCADHM NC(=O)CCC(=O)NCc1ccc([O-])c(F)c1 ZINC000907060855 638296641 /nfs/dbraw/zinc/29/66/41/638296641.db2.gz PVWHMVUPPSJWRT-UHFFFAOYSA-N -1 3 240.234 0.413 20 0 BCADHM O=S(=O)([N-][C@H]1CC12CC(O)C2)c1ccco1 ZINC000907786873 638473942 /nfs/dbraw/zinc/47/39/42/638473942.db2.gz LWBYCVMXLSIOTC-ZCUBBSJVSA-N -1 3 243.284 0.471 20 0 BCADHM C/C=C\[C@H](O)C(=O)Nc1nc(C)ccc1[O-] ZINC000907829880 638481244 /nfs/dbraw/zinc/48/12/44/638481244.db2.gz WQCHKLACLFEGCJ-TYRPZCRBSA-N -1 3 222.244 0.971 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000908182175 638593627 /nfs/dbraw/zinc/59/36/27/638593627.db2.gz MZIZMZGBWOXFCX-SZEHBUNVSA-N -1 3 227.260 0.296 20 0 BCADHM O=C(CC1(O)CCOCC1)[N-]OC/C=C\Cl ZINC000908312606 638637118 /nfs/dbraw/zinc/63/71/18/638637118.db2.gz ORWUREZMHFIXAW-RJRFIUFISA-N -1 3 249.694 0.718 20 0 BCADHM O=C(CC1(O)CCOCC1)[N-]OC/C=C/Cl ZINC000908312605 638637450 /nfs/dbraw/zinc/63/74/50/638637450.db2.gz ORWUREZMHFIXAW-DAFODLJHSA-N -1 3 249.694 0.718 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000908349417 638660859 /nfs/dbraw/zinc/66/08/59/638660859.db2.gz SEDVQSYEMXYGRL-JBLDHEPKSA-N -1 3 244.335 0.535 20 0 BCADHM CN1C[C@@H](O)C[C@]1(C)C(=O)[N-]OCCC1CC1 ZINC000908384043 638680328 /nfs/dbraw/zinc/68/03/28/638680328.db2.gz OOZMJSFZIKKLTI-CMPLNLGQSA-N -1 3 242.319 0.289 20 0 BCADHM CC(C)O[N-]C(=O)CC1(O)CCOCC1 ZINC000908570069 639018974 /nfs/dbraw/zinc/01/89/74/639018974.db2.gz LFOOORYRDOJPPH-UHFFFAOYSA-N -1 3 217.265 0.374 20 0 BCADHM CCN(CCC(=O)[O-])C(=O)C1(N(C)C)CCC1 ZINC000908862260 639086875 /nfs/dbraw/zinc/08/68/75/639086875.db2.gz UNGRBJZMXRVCBA-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM O=C([O-])CN(C(=O)Cc1c[nH]cn1)C1CC1 ZINC000908891047 639087710 /nfs/dbraw/zinc/08/77/10/639087710.db2.gz UZOVKHFPTHJGQB-UHFFFAOYSA-N -1 3 223.232 0.028 20 0 BCADHM CC(C)CN(CC(=O)[O-])C(=O)Cc1c[nH]cn1 ZINC000908882750 639090954 /nfs/dbraw/zinc/09/09/54/639090954.db2.gz LDTODZLBIGQHJH-UHFFFAOYSA-N -1 3 239.275 0.521 20 0 BCADHM CCN(CC(=O)[O-])C(=O)[C@@H](C(C)C)N(C)C ZINC000908949645 639099600 /nfs/dbraw/zinc/09/96/00/639099600.db2.gz AIUKTGUHCYYRNB-SNVBAGLBSA-N -1 3 230.308 0.506 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)N(CC)CC(=O)[O-] ZINC000908950085 639099706 /nfs/dbraw/zinc/09/97/06/639099706.db2.gz WSGOHYAHYPDXGM-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM CC[C@@H](C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)N(C)C ZINC000908968633 639106800 /nfs/dbraw/zinc/10/68/00/639106800.db2.gz LSJPZYLZIUGSEI-IUCAKERBSA-N -1 3 244.335 0.942 20 0 BCADHM O=C(OCc1cnn(CCF)c1)c1cnn[n-]1 ZINC000909311879 639202764 /nfs/dbraw/zinc/20/27/64/639202764.db2.gz NMENUMBUIPDGAF-UHFFFAOYSA-N -1 3 239.210 0.328 20 0 BCADHM O=C(OCc1cnn(CCF)c1)c1c[n-]nn1 ZINC000909311879 639202769 /nfs/dbraw/zinc/20/27/69/639202769.db2.gz NMENUMBUIPDGAF-UHFFFAOYSA-N -1 3 239.210 0.328 20 0 BCADHM O=C([O-])C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000909741813 639218776 /nfs/dbraw/zinc/21/87/76/639218776.db2.gz KQVLIZAUTOEWEJ-SECBINFHSA-N -1 3 237.259 0.418 20 0 BCADHM CN(C(=O)[C@@H]1CCCN1C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000909991241 639302907 /nfs/dbraw/zinc/30/29/07/639302907.db2.gz PXLVBELHQLGJRV-AEJSXWLSSA-N -1 3 240.303 0.402 20 0 BCADHM CCCN(C)CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000909991352 639303080 /nfs/dbraw/zinc/30/30/80/639303080.db2.gz VXRBQDLLGUANFZ-AOOOYVTPSA-N -1 3 242.319 0.650 20 0 BCADHM CCN(CC)CC(=O)N1CC(C)(C(=O)[O-])C1 ZINC000910058159 639356258 /nfs/dbraw/zinc/35/62/58/639356258.db2.gz LCXPWMCWBJSOSS-UHFFFAOYSA-N -1 3 228.292 0.261 20 0 BCADHM O=C([O-])c1ccc(N2CCOCCN2)nc1 ZINC000910387125 639436532 /nfs/dbraw/zinc/43/65/32/639436532.db2.gz SVRKQGBQBGFHHP-UHFFFAOYSA-N -1 3 223.232 0.121 20 0 BCADHM CC(C)(CNc1ccncc1CO)C(=O)[O-] ZINC000910429874 639444231 /nfs/dbraw/zinc/44/42/31/639444231.db2.gz VKKJCVJUMKRLKK-UHFFFAOYSA-N -1 3 224.260 0.519 20 0 BCADHM O=C([O-])[C@@]1(F)CCN(c2ccncc2CO)C1 ZINC000910450784 639454519 /nfs/dbraw/zinc/45/45/19/639454519.db2.gz DIQDRLPOFIGBMQ-LLVKDONJSA-N -1 3 240.234 0.577 20 0 BCADHM Cc1ccnc(C[N-]C(=O)C(F)F)n1 ZINC000911017946 639559306 /nfs/dbraw/zinc/55/93/06/639559306.db2.gz PPKPOTMNUHXKJS-UHFFFAOYSA-N -1 3 201.176 0.666 20 0 BCADHM O=C(/C=C/C1CC1)NCCCc1c[n-][nH]c1=O ZINC000912471770 640086531 /nfs/dbraw/zinc/08/65/31/640086531.db2.gz XDVGSBQEKXQCPH-BRAIEQGRSA-N -1 3 235.287 0.581 20 0 BCADHM CCC/C=C/C(=O)NCCCc1c[n-][nH]c1=O ZINC000912470663 640086951 /nfs/dbraw/zinc/08/69/51/640086951.db2.gz UXGUKWPRYIIMAB-QBBOHKLWSA-N -1 3 237.303 0.971 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)C1=CCCC1 ZINC000912471240 640087043 /nfs/dbraw/zinc/08/70/43/640087043.db2.gz OMLRTUGJNKFZMP-SNVBAGLBSA-N -1 3 235.287 0.725 20 0 BCADHM CSc1nc(NC(=O)CC2(C)COC2)n[n-]1 ZINC000931202266 640101606 /nfs/dbraw/zinc/10/16/06/640101606.db2.gz FJBWQBMDGSCNTN-UHFFFAOYSA-N -1 3 242.304 0.892 20 0 BCADHM CN(C(=O)[C@@H]1CCN1C(C)(C)C)c1nn[n-]n1 ZINC000912616365 640125444 /nfs/dbraw/zinc/12/54/44/640125444.db2.gz DGKKUSWPFSLHJS-ZETCQYMHSA-N -1 3 238.295 0.035 20 0 BCADHM CCN(C#N)CCN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931312441 640147775 /nfs/dbraw/zinc/14/77/75/640147775.db2.gz SBXALAZAQYDBJO-UHFFFAOYSA-N -1 3 247.302 0.609 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccon1)C2 ZINC000931313924 640149987 /nfs/dbraw/zinc/14/99/87/640149987.db2.gz RKGJMNVAHHSBQA-UHFFFAOYSA-N -1 3 232.243 0.994 20 0 BCADHM Cc1nonc1CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931312920 640150473 /nfs/dbraw/zinc/15/04/73/640150473.db2.gz AHVYSHDMPFMHCM-UHFFFAOYSA-N -1 3 247.258 0.698 20 0 BCADHM CCOCCN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931313604 640150565 /nfs/dbraw/zinc/15/05/65/640150565.db2.gz MUWRGZDLYAFQFA-UHFFFAOYSA-N -1 3 223.276 0.843 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C[C@@H](C)O)C2 ZINC000931313309 640152272 /nfs/dbraw/zinc/15/22/72/640152272.db2.gz GNPOMPOKEMKGKM-ZCFIWIBFSA-N -1 3 209.249 0.187 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C[C@@H]1CCC(=O)O1)C2 ZINC000931313761 640152891 /nfs/dbraw/zinc/15/28/91/640152891.db2.gz OUEIDCHZNIHZGK-QMMMGPOBSA-N -1 3 249.270 0.512 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C[C@@H](O)C1CC1)C2 ZINC000931313380 640153571 /nfs/dbraw/zinc/15/35/71/640153571.db2.gz HVINOKZLFGUZPF-LLVKDONJSA-N -1 3 235.287 0.577 20 0 BCADHM CN1C[C@H](O)C[C@@]1(C)C(=O)[N-]OCC1CCC1 ZINC000912724441 640180247 /nfs/dbraw/zinc/18/02/47/640180247.db2.gz HCXMJPYLKMHSFS-PWSUYJOCSA-N -1 3 242.319 0.289 20 0 BCADHM CCc1[nH]cnc1C(=O)[N-]N1CCOC1=O ZINC000912995923 640278139 /nfs/dbraw/zinc/27/81/39/640278139.db2.gz LYAHVKOZMIQQNJ-UHFFFAOYSA-N -1 3 224.220 0.069 20 0 BCADHM CNC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913297984 640347105 /nfs/dbraw/zinc/34/71/05/640347105.db2.gz CNYAFMNSUZYSBC-UHFFFAOYSA-N -1 3 249.226 0.573 20 0 BCADHM CNC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913297984 640347113 /nfs/dbraw/zinc/34/71/13/640347113.db2.gz CNYAFMNSUZYSBC-UHFFFAOYSA-N -1 3 249.226 0.573 20 0 BCADHM CC(C)CO[N-]C(=O)CCc1nnc[nH]1 ZINC000156492198 640462762 /nfs/dbraw/zinc/46/27/62/640462762.db2.gz MTEGLSWPGKZEOK-UHFFFAOYSA-N -1 3 212.253 0.441 20 0 BCADHM O=c1cc(NCC2CCOCC2)nc[n-]1 ZINC000165257927 640550669 /nfs/dbraw/zinc/55/06/69/640550669.db2.gz HJPKCMZIMZSGOU-UHFFFAOYSA-N -1 3 209.249 0.608 20 0 BCADHM Cc1nc(N[C@@H](C)C[S@@](C)=O)cc(=O)[n-]1 ZINC000165330068 640560760 /nfs/dbraw/zinc/56/07/60/640560760.db2.gz UIKBCFVJRLXQAP-XHLQUELWSA-N -1 3 229.305 0.670 20 0 BCADHM O=c1cc(NCCCn2cccn2)nc[n-]1 ZINC000165327603 640561335 /nfs/dbraw/zinc/56/13/35/640561335.db2.gz MMWJDCZIILLJBU-UHFFFAOYSA-N -1 3 219.248 0.469 20 0 BCADHM Cc1nc(N2CCN(C)CC2)cc(=O)[n-]1 ZINC000165374275 640564022 /nfs/dbraw/zinc/56/40/22/640564022.db2.gz JXIGHERNTINKPA-UHFFFAOYSA-N -1 3 208.265 0.242 20 0 BCADHM CC[C@@H]1CN(c2cc(=O)[n-]cn2)CCO1 ZINC000165386747 640569676 /nfs/dbraw/zinc/56/96/76/640569676.db2.gz UWTQAVRNZNJXFI-MRVPVSSYSA-N -1 3 209.249 0.385 20 0 BCADHM CCO[C@@H]1CCCN(c2cc(=O)[n-]cn2)C1 ZINC000165405867 640570572 /nfs/dbraw/zinc/57/05/72/640570572.db2.gz NZZOOYFCZDAINK-SECBINFHSA-N -1 3 223.276 0.775 20 0 BCADHM COCCCN(C)c1cc(=O)[n-]c(C)n1 ZINC000165412241 640575309 /nfs/dbraw/zinc/57/53/09/640575309.db2.gz COTQDONSZOTQQY-UHFFFAOYSA-N -1 3 211.265 0.963 20 0 BCADHM COC[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000165424650 640576203 /nfs/dbraw/zinc/57/62/03/640576203.db2.gz PHKGSRKAVFPORU-QMMMGPOBSA-N -1 3 209.249 0.243 20 0 BCADHM Cc1ccc([O-])c(C(=O)Nn2cnnc2)c1 ZINC000225671267 640706615 /nfs/dbraw/zinc/70/66/15/640706615.db2.gz QUJKLJLQPUWSMP-UHFFFAOYSA-N -1 3 218.216 0.676 20 0 BCADHM COc1cc[n-]c(=NNC(=O)[C@H]2C[C@H]2C)n1 ZINC000046363322 640738054 /nfs/dbraw/zinc/73/80/54/640738054.db2.gz PEGAAQPNYSVVEN-RQJHMYQMSA-N -1 3 222.248 0.584 20 0 BCADHM CN(CCCCCO)c1cc(=O)[n-]cn1 ZINC000227110242 640815319 /nfs/dbraw/zinc/81/53/19/640815319.db2.gz NYKYCQSOCUTUMT-UHFFFAOYSA-N -1 3 211.265 0.369 20 0 BCADHM Cc1nc(NC[C@]2(O)CCOC2)cc(=O)[n-]1 ZINC000227171624 640816409 /nfs/dbraw/zinc/81/64/09/640816409.db2.gz KTVRXEIJULLACY-SNVBAGLBSA-N -1 3 225.248 0.054 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000060335518 640855822 /nfs/dbraw/zinc/85/58/22/640855822.db2.gz DALJOTMRQWFIKT-JTQLQIEISA-N -1 3 240.303 0.703 20 0 BCADHM CCOc1nnc(NC(=O)C2CCOCC2)[n-]1 ZINC000228780415 640895201 /nfs/dbraw/zinc/89/52/01/640895201.db2.gz BKFMQHIJKNMHIF-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1nc(NC(=O)C2CCOCC2)n[n-]1 ZINC000228780415 640895204 /nfs/dbraw/zinc/89/52/04/640895204.db2.gz BKFMQHIJKNMHIF-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2CCOCC2)n1 ZINC000228780415 640895208 /nfs/dbraw/zinc/89/52/08/640895208.db2.gz BKFMQHIJKNMHIF-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM Cc1nc(N2C[C@@H](CO)OC[C@H]2C)cc(=O)[n-]1 ZINC000229283922 640941146 /nfs/dbraw/zinc/94/11/46/640941146.db2.gz LUOJVDSPEGCFTQ-APPZFPTMSA-N -1 3 239.275 0.077 20 0 BCADHM O=C1NC[C@H](COc2ccc3c([O-])coc3c2)O1 ZINC000062805326 641091068 /nfs/dbraw/zinc/09/10/68/641091068.db2.gz RSWNEIAEGADLLV-MRVPVSSYSA-N -1 3 249.222 0.749 20 0 BCADHM CCN(C)C(=O)[C@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000231868000 641210592 /nfs/dbraw/zinc/21/05/92/641210592.db2.gz FYHWLSPTBQJEJP-ZETCQYMHSA-N -1 3 238.291 0.769 20 0 BCADHM CC[C@](C)(O)C(=O)Nc1ncccc1[O-] ZINC000935337101 641389802 /nfs/dbraw/zinc/38/98/02/641389802.db2.gz STFIHHYHWLGMNQ-JTQLQIEISA-N -1 3 210.233 0.887 20 0 BCADHM COc1cc(=O)[nH]cc1C(=O)[N-]OCC(F)F ZINC000935387223 641400068 /nfs/dbraw/zinc/40/00/68/641400068.db2.gz FPEWCBMBJMTULN-UHFFFAOYSA-N -1 3 248.185 0.722 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@]12C[C@H]1CCC2 ZINC000935688643 641460290 /nfs/dbraw/zinc/46/02/90/641460290.db2.gz IVFMZGRIUVRGHJ-LDYMZIIASA-N -1 3 213.277 0.995 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1C(=O)[N-]OC/C=C\Cl ZINC000936061416 641527317 /nfs/dbraw/zinc/52/73/17/641527317.db2.gz ZKNVKARXLMIZKR-PYWFFMSPSA-N -1 3 247.678 0.986 20 0 BCADHM CO[N-]C(=O)CCc1c(C)nc2ccnn2c1C ZINC000048345979 641684033 /nfs/dbraw/zinc/68/40/33/641684033.db2.gz HSHYDMDXWSVHSK-UHFFFAOYSA-N -1 3 248.286 0.956 20 0 BCADHM O=C(C[C@H]1CCCO1)[N-]OC[C@@H]1CCOC1 ZINC000189235333 641794939 /nfs/dbraw/zinc/79/49/39/641794939.db2.gz WFCPPXOXDAZQDM-NXEZZACHSA-N -1 3 229.276 0.640 20 0 BCADHM O=C(COC(=O)c1cncc([O-])c1)NC1CC1 ZINC000731915352 641819764 /nfs/dbraw/zinc/81/97/64/641819764.db2.gz HWROMOXOTBVDJE-UHFFFAOYSA-N -1 3 236.227 0.223 20 0 BCADHM O=C(OCCn1cccn1)c1cncc([O-])c1 ZINC000731916726 641820964 /nfs/dbraw/zinc/82/09/64/641820964.db2.gz ZPSIWAOZDNRVMR-UHFFFAOYSA-N -1 3 233.227 0.841 20 0 BCADHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)N(C)C ZINC000731916705 641821808 /nfs/dbraw/zinc/82/18/08/641821808.db2.gz YWYVIGWRMTYLKA-ZETCQYMHSA-N -1 3 238.243 0.421 20 0 BCADHM Cc1[nH][n-]c(=O)c1Sc1nnc(N)s1 ZINC000915632077 641843498 /nfs/dbraw/zinc/84/34/98/641843498.db2.gz DUUUHFMKMAHTFM-VKHMYHEASA-N -1 3 229.290 0.087 20 0 BCADHM Cc1[nH][n-]c(=O)c1Sc1nnc(N)s1 ZINC000915632076 641843889 /nfs/dbraw/zinc/84/38/89/641843889.db2.gz DUUUHFMKMAHTFM-GSVOUGTGSA-N -1 3 229.290 0.087 20 0 BCADHM CC[C@](C)(CN1CCOC[C@@H]1CC(=O)[O-])OC ZINC000319811542 641881399 /nfs/dbraw/zinc/88/13/99/641881399.db2.gz HLNISVIIADFHRE-CMPLNLGQSA-N -1 3 245.319 0.977 20 0 BCADHM CC[C@](C)(CN1CCOC[C@H]1CC(=O)[O-])OC ZINC000319811550 641881894 /nfs/dbraw/zinc/88/18/94/641881894.db2.gz HLNISVIIADFHRE-ZYHUDNBSSA-N -1 3 245.319 0.977 20 0 BCADHM Cc1ncc(CSCCc2nnn[n-]2)o1 ZINC000917859386 642136905 /nfs/dbraw/zinc/13/69/05/642136905.db2.gz SHAPMNAHSWEBHP-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM Cc1ncc(CSCCc2nn[n-]n2)o1 ZINC000917859386 642136907 /nfs/dbraw/zinc/13/69/07/642136907.db2.gz SHAPMNAHSWEBHP-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM Nc1ccc(CSCCc2nnn[n-]2)cn1 ZINC000917859470 642136985 /nfs/dbraw/zinc/13/69/85/642136985.db2.gz UPRXNGDAVFKIIK-UHFFFAOYSA-N -1 3 236.304 0.653 20 0 BCADHM Nc1ccc(CSCCc2nn[n-]n2)cn1 ZINC000917859470 642136990 /nfs/dbraw/zinc/13/69/90/642136990.db2.gz UPRXNGDAVFKIIK-UHFFFAOYSA-N -1 3 236.304 0.653 20 0 BCADHM CO[N-]C(=O)CC(C)(C)CC(=O)OC ZINC000154879372 642294268 /nfs/dbraw/zinc/29/42/68/642294268.db2.gz IPFMTZATWFFABE-UHFFFAOYSA-N -1 3 203.238 0.643 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C)o1 ZINC000921413878 642616020 /nfs/dbraw/zinc/61/60/20/642616020.db2.gz WSMCRPSAKNZRJM-SECBINFHSA-N -1 3 244.316 0.570 20 0 BCADHM CN(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000077678440 642648502 /nfs/dbraw/zinc/64/85/02/642648502.db2.gz VJNBPLMGBMOFBF-UHFFFAOYSA-N -1 3 209.201 0.823 20 0 BCADHM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000921497048 642859047 /nfs/dbraw/zinc/85/90/47/642859047.db2.gz GDNZXDGZTSYFGL-HTQZYQBOSA-N -1 3 231.273 0.593 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H]1COC[C@H]1C ZINC000921498536 642927130 /nfs/dbraw/zinc/92/71/30/642927130.db2.gz ILIQRMLPJQRGIN-SVRRBLITSA-N -1 3 246.288 0.296 20 0 BCADHM CCC1(C(=O)[N-]OCC(N)=O)CCCCC1 ZINC000184235150 643201382 /nfs/dbraw/zinc/20/13/82/643201382.db2.gz CFRSONGUNMRKGZ-UHFFFAOYSA-N -1 3 228.292 0.880 20 0 BCADHM CCOCCO[N-]C(=O)CCSC ZINC000184832008 643242212 /nfs/dbraw/zinc/24/22/12/643242212.db2.gz HMWYGKSAUMAPCT-UHFFFAOYSA-N -1 3 207.295 0.824 20 0 BCADHM COC[C@@H](C)NC(=O)NN=c1cccn[n-]1 ZINC000077536647 643268189 /nfs/dbraw/zinc/26/81/89/643268189.db2.gz IYBYAKONVUIJRQ-SSDOTTSWSA-N -1 3 225.252 0.138 20 0 BCADHM O=c1cc(NC[C@@H]2CC[C@H](O)C2)nc[n-]1 ZINC000227668944 643646168 /nfs/dbraw/zinc/64/61/68/643646168.db2.gz RRXCWNGFTLJBIL-SFYZADRCSA-N -1 3 209.249 0.343 20 0 BCADHM O=c1cc(NC[C@@H]2CC[C@@H](O)C2)nc[n-]1 ZINC000227668938 643646423 /nfs/dbraw/zinc/64/64/23/643646423.db2.gz RRXCWNGFTLJBIL-HTQZYQBOSA-N -1 3 209.249 0.343 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]C1CSC1 ZINC000921865026 643810180 /nfs/dbraw/zinc/81/01/80/643810180.db2.gz CSYVORNEJPGXFH-UHFFFAOYSA-N -1 3 248.329 0.685 20 0 BCADHM COc1cccc([O-])c1C(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC000921906863 643823008 /nfs/dbraw/zinc/82/30/08/643823008.db2.gz XWHYCVADSQZKQG-SDBXPKJASA-N -1 3 249.266 0.608 20 0 BCADHM CC[C@@H](C)[C@H](OC(=O)c1cnn[n-]1)C(=O)OC ZINC000922731110 644081190 /nfs/dbraw/zinc/08/11/90/644081190.db2.gz LJHFRCNABKTYKL-SVRRBLITSA-N -1 3 241.247 0.549 20 0 BCADHM CC[C@@H](C)[C@H](OC(=O)c1c[n-]nn1)C(=O)OC ZINC000922731110 644081198 /nfs/dbraw/zinc/08/11/98/644081198.db2.gz LJHFRCNABKTYKL-SVRRBLITSA-N -1 3 241.247 0.549 20 0 BCADHM CO[N-]C(=O)CNCc1nccc2c1CCCC2 ZINC000922827577 644104080 /nfs/dbraw/zinc/10/40/80/644104080.db2.gz GOFMUNCOEHUOIE-UHFFFAOYSA-N -1 3 249.314 0.728 20 0 BCADHM CO[N-]C(=O)CNCc1cc(C)ns1 ZINC000922828691 644104128 /nfs/dbraw/zinc/10/41/28/644104128.db2.gz WJOSBNCAHQFQFI-UHFFFAOYSA-N -1 3 215.278 0.219 20 0 BCADHM CO[N-]C(=O)CNCc1cc2cnccc2o1 ZINC000922827486 644104851 /nfs/dbraw/zinc/10/48/51/644104851.db2.gz KPSNYNRGJPPHBO-UHFFFAOYSA-N -1 3 235.243 0.595 20 0 BCADHM CO[N-]C(=O)CNCc1ccc(OC)c(O)c1 ZINC000922829457 644105739 /nfs/dbraw/zinc/10/57/39/644105739.db2.gz GLLCDMYSXIMGOE-UHFFFAOYSA-N -1 3 240.259 0.168 20 0 BCADHM CO[N-]C(=O)CNCc1cc(C)ccc1F ZINC000922829924 644114783 /nfs/dbraw/zinc/11/47/83/644114783.db2.gz IXPGAMCNBNYSOR-UHFFFAOYSA-N -1 3 226.251 0.901 20 0 BCADHM CO[N-]C(=O)CNCc1cc(C)ccc1OC ZINC000922829864 644115112 /nfs/dbraw/zinc/11/51/12/644115112.db2.gz KVROGJQOQKNJRP-UHFFFAOYSA-N -1 3 238.287 0.771 20 0 BCADHM CCCN(C)CC(=O)NCCCNC(=O)[O-] ZINC000739347253 644499918 /nfs/dbraw/zinc/49/99/18/644499918.db2.gz DRVJWEOAMONAIJ-UHFFFAOYSA-N -1 3 231.296 0.102 20 0 BCADHM NC(=O)CO[N-]C(=O)Cc1ccc(F)c(F)c1 ZINC000089463647 644553217 /nfs/dbraw/zinc/55/32/17/644553217.db2.gz YJCYAKLWFNOAEM-UHFFFAOYSA-N -1 3 244.197 0.040 20 0 BCADHM NC(=O)CO[N-]C(=O)Cc1ccc(Cl)cc1 ZINC000089464546 644554016 /nfs/dbraw/zinc/55/40/16/644554016.db2.gz CAPMOAGYIMNCQB-UHFFFAOYSA-N -1 3 242.662 0.416 20 0 BCADHM O=c1[n-]c(CN2CCC3(CCCC3)C2)n[nH]1 ZINC000091587688 644631794 /nfs/dbraw/zinc/63/17/94/644631794.db2.gz LESRVSSCHDVTIF-UHFFFAOYSA-N -1 3 222.292 0.864 20 0 BCADHM C[S@](=O)CCNC(=O)c1c([O-])cccc1O ZINC000092121310 644647480 /nfs/dbraw/zinc/64/74/80/644647480.db2.gz RNMOKAUUFLUBBR-MRXNPFEDSA-N -1 3 243.284 0.206 20 0 BCADHM O=C(C[C@@H]1COC(=O)C1)[N-]OC1CCCC1 ZINC000774868063 644699818 /nfs/dbraw/zinc/69/98/18/644699818.db2.gz UPMPOAFGJKWXAT-QMMMGPOBSA-N -1 3 227.260 0.930 20 0 BCADHM NC(=O)CO[N-]C(=O)CCCC1CCOCC1 ZINC000798990413 644829154 /nfs/dbraw/zinc/82/91/54/644829154.db2.gz VMDADJRDYUCDDX-UHFFFAOYSA-N -1 3 244.291 0.116 20 0 BCADHM CCc1cc([N-]S(=O)(=O)N(C)CC)nn1C ZINC000817354626 644973499 /nfs/dbraw/zinc/97/34/99/644973499.db2.gz OLGPCMATPJPGML-UHFFFAOYSA-N -1 3 246.336 0.591 20 0 BCADHM O=C(C[C@@H]1COC(=O)C1)[N-]OCCC1CC1 ZINC000817373306 644976622 /nfs/dbraw/zinc/97/66/22/644976622.db2.gz UKFLJDIQNBTGHG-VIFPVBQESA-N -1 3 227.260 0.788 20 0 BCADHM NC(=O)CCCC(=O)[N-]OCCC1CC1 ZINC000817441482 644980651 /nfs/dbraw/zinc/98/06/51/644980651.db2.gz HJUONDNPBBCLRX-UHFFFAOYSA-N -1 3 214.265 0.490 20 0 BCADHM Cc1cc(CCC(=O)[N-]OC(C)(C)CO)no1 ZINC000821231609 645031770 /nfs/dbraw/zinc/03/17/70/645031770.db2.gz GOTUFJLAWQGNSA-UHFFFAOYSA-N -1 3 242.275 0.734 20 0 BCADHM CC1=NO[C@@H](C[N-]S(=O)(=O)c2ccco2)C1 ZINC000867349604 645316296 /nfs/dbraw/zinc/31/62/96/645316296.db2.gz YLBFNWXFPHRVAX-MRVPVSSYSA-N -1 3 244.272 0.723 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H](O)C1 ZINC000857459659 645564839 /nfs/dbraw/zinc/56/48/39/645564839.db2.gz KKSIIAGREGBJMO-VIFPVBQESA-N -1 3 239.246 0.667 20 0 BCADHM CC(C)O[N-]C(=O)CCc1cnn(C)n1 ZINC000857522411 645588425 /nfs/dbraw/zinc/58/84/25/645588425.db2.gz HYWLMTPKYGDBQD-UHFFFAOYSA-N -1 3 212.253 0.204 20 0 BCADHM CCn1cc(CC(=O)[N-]OC(C)C)cn1 ZINC000857522198 645589469 /nfs/dbraw/zinc/58/94/69/645589469.db2.gz DWZXTLQMZYVQDM-UHFFFAOYSA-N -1 3 211.265 0.902 20 0 BCADHM CC(C)O[N-]C(=O)CCc1cnn(C)c1 ZINC000857522092 645589824 /nfs/dbraw/zinc/58/98/24/645589824.db2.gz AUGWQKOXPAYWBY-UHFFFAOYSA-N -1 3 211.265 0.809 20 0 BCADHM Cc1c(CC(=O)[N-]OC2CCC2)cnn1C ZINC000857522736 645592503 /nfs/dbraw/zinc/59/25/03/645592503.db2.gz OORNJYSYCRRTNY-UHFFFAOYSA-N -1 3 223.276 0.871 20 0 BCADHM CCCN(C)CC(=O)[N-]OCc1ccccn1 ZINC000909528900 711781540 /nfs/dbraw/zinc/78/15/40/711781540.db2.gz BIZUXCZEVVBKTH-UHFFFAOYSA-N -1 3 237.303 0.971 20 0 BCADHM CCC(C)(C)NC(=O)[C@H](C)O[N-]C(C)=O ZINC000180805409 711890226 /nfs/dbraw/zinc/89/02/26/711890226.db2.gz DDSASJKJXDCJBY-ZETCQYMHSA-N -1 3 216.281 0.747 20 0 BCADHM CO[N-]C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000702426771 712052298 /nfs/dbraw/zinc/05/22/98/712052298.db2.gz QSBINCLNRWZKNG-NSHDSACASA-N -1 3 237.303 0.123 20 0 BCADHM CC(C)(C(=O)[N-]OCC(N)=O)C1CCC1 ZINC000322153116 712091537 /nfs/dbraw/zinc/09/15/37/712091537.db2.gz UALTVUYMUHJFRQ-UHFFFAOYSA-N -1 3 214.265 0.346 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCC[S@](C)=O ZINC000706642233 712150669 /nfs/dbraw/zinc/15/06/69/712150669.db2.gz QANJGDKBUCUSQS-INIZCTEOSA-N -1 3 241.312 0.809 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2C[C@H]2OCC)[n-]1 ZINC000709670686 712214837 /nfs/dbraw/zinc/21/48/37/712214837.db2.gz BCACFSPZJBWSQQ-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2C[C@H]2OCC)n[n-]1 ZINC000709670686 712214838 /nfs/dbraw/zinc/21/48/38/712214838.db2.gz BCACFSPZJBWSQQ-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2C[C@H]2OCC)n1 ZINC000709670686 712214839 /nfs/dbraw/zinc/21/48/39/712214839.db2.gz BCACFSPZJBWSQQ-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COCCO[N-]C(=O)C[C@H](O)CC(C)(C)C ZINC000813472324 712588135 /nfs/dbraw/zinc/58/81/35/712588135.db2.gz RZQMXTOXZDMNHH-VIFPVBQESA-N -1 3 233.308 0.868 20 0 BCADHM O=C(NC1(C2CC2)CCC1)c1cn[n-]n1 ZINC000717889740 712731292 /nfs/dbraw/zinc/73/12/92/712731292.db2.gz YVJFOOUPFDFANG-UHFFFAOYSA-N -1 3 206.249 0.867 20 0 BCADHM Cc1nc(N[C@H]2CCNC(=O)CC2)cc(=O)[n-]1 ZINC000396681221 710907423 /nfs/dbraw/zinc/90/74/23/710907423.db2.gz WPUDLTJTVORISS-MRVPVSSYSA-N -1 3 236.275 0.571 20 0 BCADHM CCOc1nnc(NC(=O)C(C)(C)OCC)[n-]1 ZINC000384111743 710989634 /nfs/dbraw/zinc/98/96/34/710989634.db2.gz KVNXEJZNILAXFN-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nc(NC(=O)C(C)(C)OCC)n[n-]1 ZINC000384111743 710989638 /nfs/dbraw/zinc/98/96/38/710989638.db2.gz KVNXEJZNILAXFN-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1n[n-]c(NC(=O)C(C)(C)OCC)n1 ZINC000384111743 710989642 /nfs/dbraw/zinc/98/96/42/710989642.db2.gz KVNXEJZNILAXFN-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM Cc1nccn1CCNc1nc(C(=O)[O-])co1 ZINC000384139206 710990650 /nfs/dbraw/zinc/99/06/50/710990650.db2.gz MIWPLJPWEOBMKC-UHFFFAOYSA-N -1 3 236.231 0.412 20 0 BCADHM Cc1nc(N2C[C@@H](O)C(C)(C)C2)cc(=O)[n-]1 ZINC000387945108 711050425 /nfs/dbraw/zinc/05/04/25/711050425.db2.gz USVIVMGCXPPHJT-MRVPVSSYSA-N -1 3 223.276 0.698 20 0 BCADHM Cc1n[nH]cc1S(=O)(=O)[N-][C@@H](C)C(F)F ZINC000390287092 711111552 /nfs/dbraw/zinc/11/15/52/711111552.db2.gz SAOGXFFBMBKYBB-YFKPBYRVSA-N -1 3 239.247 0.650 20 0 BCADHM CCN1C[C@@H](Nc2cc(=O)[n-]c(C)n2)CC1=O ZINC000391514656 711138637 /nfs/dbraw/zinc/13/86/37/711138637.db2.gz PUFNODHDPPVINJ-QMMMGPOBSA-N -1 3 236.275 0.523 20 0 BCADHM Cc1nc(N[C@H](C)c2ncn(C)n2)cc(=O)[n-]1 ZINC000391906007 711141838 /nfs/dbraw/zinc/14/18/38/711141838.db2.gz JNCPDLURDSICDU-ZCFIWIBFSA-N -1 3 234.263 0.792 20 0 BCADHM CCO[N-]C(=O)CNCc1ccccn1 ZINC000393605815 711165778 /nfs/dbraw/zinc/16/57/78/711165778.db2.gz FZBLNBMBZAJDRG-UHFFFAOYSA-N -1 3 209.249 0.239 20 0 BCADHM C[C@](O)(CNc1cc(=O)[n-]cn1)C1CC1 ZINC000393765141 711173824 /nfs/dbraw/zinc/17/38/24/711173824.db2.gz QNVYOIJBKYJKFJ-JTQLQIEISA-N -1 3 209.249 0.755 20 0 BCADHM CC(C)[C@H](CO)CNc1cc(=O)[n-]cn1 ZINC000394025966 711182025 /nfs/dbraw/zinc/18/20/25/711182025.db2.gz UFJOQCYUEGMHRT-QMMMGPOBSA-N -1 3 211.265 0.859 20 0 BCADHM CCNC(=O)CN(CC)CCC(C)(C)C(=O)[O-] ZINC000395647909 711214542 /nfs/dbraw/zinc/21/45/42/711214542.db2.gz LHVVGFAKHZOMOX-UHFFFAOYSA-N -1 3 244.335 0.945 20 0 BCADHM Cc1nc(NC[C@H]2CNC(=O)C2)cc(=O)[n-]1 ZINC000398327033 711408141 /nfs/dbraw/zinc/40/81/41/711408141.db2.gz GCXIJVHMEDMEOU-ZETCQYMHSA-N -1 3 222.248 0.039 20 0 BCADHM CNC(=O)[C@H]1CCN(c2cc(=O)[n-]c(C)n2)C1 ZINC000398481431 711411251 /nfs/dbraw/zinc/41/12/51/711411251.db2.gz DGGHGSHFOJUXOR-QMMMGPOBSA-N -1 3 236.275 0.063 20 0 BCADHM Cc1nc(N2C[C@@H](C)C[C@H](CO)C2)cc(=O)[n-]1 ZINC000398737268 711415175 /nfs/dbraw/zinc/41/51/75/711415175.db2.gz VARATPRPKIZICC-WPRPVWTQSA-N -1 3 237.303 0.945 20 0 BCADHM O=c1cc(NC[C@@H]2C[C@@H]3COC[C@@H]3O2)nc[n-]1 ZINC000724611486 710742966 /nfs/dbraw/zinc/74/29/66/710742966.db2.gz WENLYUZOQFWPBT-VGMNWLOBSA-N -1 3 237.259 0.398 20 0 BCADHM Cc1nc(N2CCOC[C@@H](C)C2)cc(=O)[n-]1 ZINC000399529701 711431846 /nfs/dbraw/zinc/43/18/46/711431846.db2.gz RKQHOCHXSIPNKE-QMMMGPOBSA-N -1 3 223.276 0.963 20 0 BCADHM COC[C@@](C)(O)CNc1cc(=O)[n-]c(C)n1 ZINC000382581557 711469616 /nfs/dbraw/zinc/46/96/16/711469616.db2.gz YCONBHDLWIBZQY-JTQLQIEISA-N -1 3 227.264 0.300 20 0 BCADHM Cc1cnc(CNC(=O)c2cn[n-]n2)c(C)c1 ZINC000723679632 711534163 /nfs/dbraw/zinc/53/41/63/711534163.db2.gz DGIOMRIFJSOBSA-UHFFFAOYSA-N -1 3 231.259 0.747 20 0 BCADHM CCOc1nnc(NC(=O)C(C)(F)F)[n-]1 ZINC000382277175 711608254 /nfs/dbraw/zinc/60/82/54/711608254.db2.gz ICNQSFXIYSHSAT-UHFFFAOYSA-N -1 3 220.179 0.797 20 0 BCADHM CCOc1nc(NC(=O)C(C)(F)F)n[n-]1 ZINC000382277175 711608256 /nfs/dbraw/zinc/60/82/56/711608256.db2.gz ICNQSFXIYSHSAT-UHFFFAOYSA-N -1 3 220.179 0.797 20 0 BCADHM CCOc1n[n-]c(NC(=O)C(C)(F)F)n1 ZINC000382277175 711608258 /nfs/dbraw/zinc/60/82/58/711608258.db2.gz ICNQSFXIYSHSAT-UHFFFAOYSA-N -1 3 220.179 0.797 20 0 BCADHM O=C(Cc1ccccc1F)[N-]OCCO ZINC000776584189 711709545 /nfs/dbraw/zinc/70/95/45/711709545.db2.gz HLRWBZOKECTSIK-UHFFFAOYSA-N -1 3 213.208 0.408 20 0 BCADHM COC(=O)[C@@H]1CCN(c2cc(=O)[n-]cn2)[C@@H]1C ZINC000893419999 711721646 /nfs/dbraw/zinc/72/16/46/711721646.db2.gz INSXZERAFIIONC-HTQZYQBOSA-N -1 3 237.259 0.570 20 0 BCADHM CCN1CCC[C@H](Nc2cc(=O)[n-]cn2)C1=O ZINC000722340647 711741206 /nfs/dbraw/zinc/74/12/06/711741206.db2.gz AITNQIVPOVOSIG-QMMMGPOBSA-N -1 3 236.275 0.605 20 0 BCADHM C[C@H](CO)CCCNc1cc(=O)[n-]cn1 ZINC000228310426 711834334 /nfs/dbraw/zinc/83/43/34/711834334.db2.gz CIPZIHCSZYSLOJ-QMMMGPOBSA-N -1 3 211.265 0.590 20 0 BCADHM C[C@H](CO)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000139416611 711888993 /nfs/dbraw/zinc/88/89/93/711888993.db2.gz BFMWEDBWKJDHSM-ZCFIWIBFSA-N -1 3 239.227 0.232 20 0 BCADHM C[C@@H](O)[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451759312 711952707 /nfs/dbraw/zinc/95/27/07/711952707.db2.gz ROSCZPOTOUNMRD-HTQZYQBOSA-N -1 3 241.262 0.959 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CC(N)=O)o1 ZINC000358458202 711955010 /nfs/dbraw/zinc/95/50/10/711955010.db2.gz DPSJBCLQOURTIF-ZCFIWIBFSA-N -1 3 246.288 0.130 20 0 BCADHM CO[N-]C(=O)CCc1cnc(N)s1 ZINC000721308020 711978707 /nfs/dbraw/zinc/97/87/07/711978707.db2.gz ZBYMUHUMHYMCPJ-UHFFFAOYSA-N -1 3 201.251 0.336 20 0 BCADHM Cc1nc(N2CC[C@H](C)[C@@H](CO)C2)cc(=O)[n-]1 ZINC000700413632 711993210 /nfs/dbraw/zinc/99/32/10/711993210.db2.gz FENVAKYLQIDWBW-WCBMZHEXSA-N -1 3 237.303 0.945 20 0 BCADHM Cc1cc(=O)[n-]c(Cn2ccsc2=O)n1 ZINC000700503489 711995267 /nfs/dbraw/zinc/99/52/67/711995267.db2.gz DKJMCALNOCDROJ-UHFFFAOYSA-N -1 3 223.257 0.762 20 0 BCADHM O=c1cc(NC[C@]2(O)CCSC2)nc[n-]1 ZINC000702284984 712045065 /nfs/dbraw/zinc/04/50/65/712045065.db2.gz HTAVHBZLMCRWQE-SECBINFHSA-N -1 3 227.289 0.462 20 0 BCADHM CO[C@@](C)(CO)CNc1cc(=O)[n-]c(C)n1 ZINC000702479765 712054219 /nfs/dbraw/zinc/05/42/19/712054219.db2.gz JAFFUJDNFPZNPD-SNVBAGLBSA-N -1 3 227.264 0.300 20 0 BCADHM CN1CCC[C@@H](Nc2cc(=O)[n-]cn2)C1=O ZINC000704385352 712105474 /nfs/dbraw/zinc/10/54/74/712105474.db2.gz GQMVEGMUELIDIM-SSDOTTSWSA-N -1 3 222.248 0.215 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCc1cnn(C)n1 ZINC000706629046 712151063 /nfs/dbraw/zinc/15/10/63/712151063.db2.gz AWQSYQZLAGFZLC-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM O=C1[C@@H](Nc2cc(=O)[n-]cn2)CCN1C1CCC1 ZINC000708964410 712204330 /nfs/dbraw/zinc/20/43/30/712204330.db2.gz NYTQTZQBOCEBMP-VIFPVBQESA-N -1 3 248.286 0.748 20 0 BCADHM Cc1nc(N2CCC[C@H](O)CC2)cc(=O)[n-]1 ZINC000378726862 712358837 /nfs/dbraw/zinc/35/88/37/712358837.db2.gz JBKFPTLNHOOMKJ-VIFPVBQESA-N -1 3 223.276 0.842 20 0 BCADHM COc1ncc(S(=O)(=O)[N-]C2CCC2)s1 ZINC000712346052 712401230 /nfs/dbraw/zinc/40/12/30/712401230.db2.gz JJBMRGFDLOGASS-UHFFFAOYSA-N -1 3 248.329 0.983 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C2CCC2)nn1 ZINC000712391319 712428851 /nfs/dbraw/zinc/42/88/51/712428851.db2.gz WSDWQECXBNBOTP-UHFFFAOYSA-N -1 3 227.289 0.616 20 0 BCADHM CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000712752853 712449175 /nfs/dbraw/zinc/44/91/75/712449175.db2.gz MSJZTSBGCTZPPB-SSDOTTSWSA-N -1 3 229.305 0.862 20 0 BCADHM Cc1nc(N2C[C@@H](F)[C@@H](F)C2)cc(=O)[n-]1 ZINC000714527665 712494258 /nfs/dbraw/zinc/49/42/58/712494258.db2.gz ZHARDWANXAOEHY-KNVOCYPGSA-N -1 3 215.203 0.987 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000717159780 712637801 /nfs/dbraw/zinc/63/78/01/712637801.db2.gz PUECPRDVFILAQW-UHFFFAOYSA-N -1 3 243.288 0.042 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)[C@H](N)CC1CC1)C(=O)[O-] ZINC000379967826 712640834 /nfs/dbraw/zinc/64/08/34/712640834.db2.gz MHWDHIUJZBRZHG-SFGNSQDASA-N -1 3 242.319 0.729 20 0 BCADHM Cc1nnc(CNc2cc(=O)[n-]c(C)n2)o1 ZINC000718899241 712787505 /nfs/dbraw/zinc/78/75/05/712787505.db2.gz MHXCCHONWBAQDZ-UHFFFAOYSA-N -1 3 221.220 0.794 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H]1CC[C@@H](C)O1 ZINC000408081546 343975921 /nfs/dbraw/zinc/97/59/21/343975921.db2.gz DWCSDBCDTSPHLV-HTQZYQBOSA-N -1 3 224.264 0.804 20 0 BCADHM C[C@@H](CN(C)C)Nc1ncncc1C(=O)[O-] ZINC000300937274 349453262 /nfs/dbraw/zinc/45/32/62/349453262.db2.gz RSBCDZMKPUQZFE-ZETCQYMHSA-N -1 3 224.264 0.537 20 0 BCADHM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000389881437 398146406 /nfs/dbraw/zinc/14/64/06/398146406.db2.gz OLRKSPRSOXSZIU-RNFRBKRXSA-N -1 3 247.345 0.582 20 0 BCADHM CCC(CC)([N-]C(=O)C(F)F)C(N)=O ZINC000278666379 168329830 /nfs/dbraw/zinc/32/98/30/168329830.db2.gz MYODNEJFWOEQOT-UHFFFAOYSA-N -1 3 208.208 0.412 20 0 BCADHM Cc1cc(CN2CC[C@H](C(=O)[O-])C2)on1 ZINC000062134340 178000778 /nfs/dbraw/zinc/00/07/78/178000778.db2.gz AHOCMJGJPUMKDZ-QMMMGPOBSA-N -1 3 210.233 0.890 20 0 BCADHM Cc1cc(C[N-]S(=O)(=O)[C@H]2CCOC2)on1 ZINC000357759420 178028898 /nfs/dbraw/zinc/02/88/98/178028898.db2.gz UVMALSXJKXGOFL-VIFPVBQESA-N -1 3 246.288 0.191 20 0 BCADHM CC[C@](C)(CO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000080874475 398184470 /nfs/dbraw/zinc/18/44/70/398184470.db2.gz GZXPHESRDMFLTO-GFCCVEGCSA-N -1 3 248.286 0.849 20 0 BCADHM Cc1ccc(C(=O)N2CN(C)C(=O)[C@@H]2C)c([O-])c1 ZINC000648640267 398209608 /nfs/dbraw/zinc/20/96/08/398209608.db2.gz GDAOXNKXYIXTEG-VIFPVBQESA-N -1 3 248.282 0.961 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CCCO)n1 ZINC000281818193 178203624 /nfs/dbraw/zinc/20/36/24/178203624.db2.gz LOIQCKKXATWKHZ-SECBINFHSA-N -1 3 225.292 0.866 20 0 BCADHM C/C=C\C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000625556587 343989857 /nfs/dbraw/zinc/98/98/57/343989857.db2.gz ANDARQIFBPKXRY-PLNGDYQASA-N -1 3 229.305 0.583 20 0 BCADHM C/C=C\C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000625556904 343990468 /nfs/dbraw/zinc/99/04/68/343990468.db2.gz MQUFQJAEAAQCDF-ARJAWSKDSA-N -1 3 215.278 0.275 20 0 BCADHM C/C=C/C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000625556905 343990618 /nfs/dbraw/zinc/99/06/18/343990618.db2.gz MQUFQJAEAAQCDF-ONEGZZNKSA-N -1 3 215.278 0.275 20 0 BCADHM CC1(C)COCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000624579181 398237779 /nfs/dbraw/zinc/23/77/79/398237779.db2.gz QZJIVOJFFZGFOJ-UHFFFAOYSA-N -1 3 237.259 0.433 20 0 BCADHM CO[C@@H](C)[C@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000576597441 365636820 /nfs/dbraw/zinc/63/68/20/365636820.db2.gz SHAWYCXKRJZHNR-IUCAKERBSA-N -1 3 238.287 0.869 20 0 BCADHM Cc1cccc(C(=O)NCCn2cnnc2)c1[O-] ZINC000381304964 398252897 /nfs/dbraw/zinc/25/28/97/398252897.db2.gz RTKHBNNHHDYBIX-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM CO[C@@H](C)CN(C)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000343805726 136231433 /nfs/dbraw/zinc/23/14/33/136231433.db2.gz JGHSWLTZWMZPAG-LURJTMIESA-N -1 3 236.279 0.188 20 0 BCADHM Cc1ccc(C(=O)N2CC(=O)N[C@@H](C)C2)c([O-])c1 ZINC000296202668 178382467 /nfs/dbraw/zinc/38/24/67/178382467.db2.gz OQJJWTSFRKCHII-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM Cc1ccc(C(=O)N2CC(C)(O)C2)c([O-])c1 ZINC000084351980 178384570 /nfs/dbraw/zinc/38/45/70/178384570.db2.gz BKYRBPONUPTLRM-UHFFFAOYSA-N -1 3 221.256 0.907 20 0 BCADHM Cc1ccc(C(=O)N2CCC[C@H]2C(N)=O)c([O-])c1 ZINC000020295312 178391113 /nfs/dbraw/zinc/39/11/13/178391113.db2.gz SVJHVRKSVDXEMN-JTQLQIEISA-N -1 3 248.282 0.791 20 0 BCADHM CC(C)(CO)NC(=O)c1cccc2nn[n-]c21 ZINC000188641948 346826907 /nfs/dbraw/zinc/82/69/07/346826907.db2.gz JKNXKCGRBCSRHQ-UHFFFAOYSA-N -1 3 234.259 0.459 20 0 BCADHM CC(C)(CO)NC(=O)c1cccc2[n-]nnc21 ZINC000188641948 346826910 /nfs/dbraw/zinc/82/69/10/346826910.db2.gz JKNXKCGRBCSRHQ-UHFFFAOYSA-N -1 3 234.259 0.459 20 0 BCADHM CC(C)(CO)NC(=O)c1cccc2n[n-]nc21 ZINC000188641948 346826912 /nfs/dbraw/zinc/82/69/12/346826912.db2.gz JKNXKCGRBCSRHQ-UHFFFAOYSA-N -1 3 234.259 0.459 20 0 BCADHM CC(C)(CCO)NC(=O)c1cccc2nn[n-]c21 ZINC000188660819 346830977 /nfs/dbraw/zinc/83/09/77/346830977.db2.gz DNYUQDMMWNBLKI-UHFFFAOYSA-N -1 3 248.286 0.849 20 0 BCADHM CC(C)(CCO)NC(=O)c1cccc2[n-]nnc21 ZINC000188660819 346830980 /nfs/dbraw/zinc/83/09/80/346830980.db2.gz DNYUQDMMWNBLKI-UHFFFAOYSA-N -1 3 248.286 0.849 20 0 BCADHM CC(C)(CCO)NC(=O)c1cccc2n[n-]nc21 ZINC000188660819 346830984 /nfs/dbraw/zinc/83/09/84/346830984.db2.gz DNYUQDMMWNBLKI-UHFFFAOYSA-N -1 3 248.286 0.849 20 0 BCADHM COc1nnc(NC(=O)[C@H](C)OCC2CC2)[n-]1 ZINC000179375823 538955012 /nfs/dbraw/zinc/95/50/12/538955012.db2.gz BJBXYPFGBOHZPV-LURJTMIESA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@H](C)OCC2CC2)n[n-]1 ZINC000179375823 538955013 /nfs/dbraw/zinc/95/50/13/538955013.db2.gz BJBXYPFGBOHZPV-LURJTMIESA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](C)OCC2CC2)n1 ZINC000179375823 538955015 /nfs/dbraw/zinc/95/50/15/538955015.db2.gz BJBXYPFGBOHZPV-LURJTMIESA-N -1 3 240.263 0.567 20 0 BCADHM CN(C[C@@H]1CCCN1C)C(=O)c1cc(=O)[nH][n-]1 ZINC000616385809 342750295 /nfs/dbraw/zinc/75/02/95/342750295.db2.gz IGGBUQJBLNYTSX-QMMMGPOBSA-N -1 3 238.291 0.282 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCC(O)CC1 ZINC000035187561 342745824 /nfs/dbraw/zinc/74/58/24/342745824.db2.gz XBMCGCPPSNPORG-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@H](C)C1 ZINC000335124883 398280018 /nfs/dbraw/zinc/28/00/18/398280018.db2.gz QBWVLFZLNSXKPY-RKDXNWHRSA-N -1 3 224.308 0.729 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2CCN(C)C2=O)c([O-])c1 ZINC000172545495 178433246 /nfs/dbraw/zinc/43/32/46/178433246.db2.gz HALOZGUSWHNHSS-JTQLQIEISA-N -1 3 248.282 0.661 20 0 BCADHM C[C@H](CO)[N-]S(=O)(=O)c1cccs1 ZINC000031870366 342790298 /nfs/dbraw/zinc/79/02/98/342790298.db2.gz AIAAQEAPFQOEAH-ZCFIWIBFSA-N -1 3 221.303 0.407 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2cc(F)c[n-]c2=O)C1 ZINC000630028303 361906677 /nfs/dbraw/zinc/90/66/77/361906677.db2.gz SRZSLSCIUYTDBG-ZKCHVHJHSA-N -1 3 240.234 0.834 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3CO[C@@H](C4CC4)C3)c1-2 ZINC000624672957 342816810 /nfs/dbraw/zinc/81/68/10/342816810.db2.gz BXKSGOGVKPBFIE-WCBMZHEXSA-N -1 3 245.286 0.706 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCCOCC1 ZINC000624880819 342836157 /nfs/dbraw/zinc/83/61/57/342836157.db2.gz KCGMUJSEGYAWKB-UHFFFAOYSA-N -1 3 223.232 0.045 20 0 BCADHM Cn1cc(CNC(=O)c2ccc(O)cc2[O-])nn1 ZINC000389986179 539019146 /nfs/dbraw/zinc/01/91/46/539019146.db2.gz MEXHHCHODBARCK-UHFFFAOYSA-N -1 3 248.242 0.156 20 0 BCADHM COCC1(CNC(=O)c2cc(=O)[n-]cn2)CC1 ZINC000628017383 342874087 /nfs/dbraw/zinc/87/40/87/342874087.db2.gz SQVWTLXTRJTKOC-UHFFFAOYSA-N -1 3 237.259 0.339 20 0 BCADHM CCN(C(=O)c1cc(=O)[n-]cn1)c1cnn(C)c1 ZINC000628024050 342877516 /nfs/dbraw/zinc/87/75/16/342877516.db2.gz IJEYTLHTKSFSGY-UHFFFAOYSA-N -1 3 247.258 0.582 20 0 BCADHM COc1cc(C(=O)NCCO)ccc1[O-] ZINC000034133836 342879748 /nfs/dbraw/zinc/87/97/48/342879748.db2.gz JDMYVMZSGKUWLR-UHFFFAOYSA-N -1 3 211.217 0.123 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)c1 ZINC000331898002 398313353 /nfs/dbraw/zinc/31/33/53/398313353.db2.gz JJTMEXHMUSVXPA-RKDXNWHRSA-N -1 3 243.332 0.837 20 0 BCADHM O=C(Nc1ccc[nH]c1=O)c1c[n-]nn1 ZINC000625197350 342908333 /nfs/dbraw/zinc/90/83/33/342908333.db2.gz BDAMACYWMVPIMS-UHFFFAOYSA-N -1 3 205.177 0.158 20 0 BCADHM O=C(Nc1ccc[nH]c1=O)c1cnn[n-]1 ZINC000625197350 342908334 /nfs/dbraw/zinc/90/83/34/342908334.db2.gz BDAMACYWMVPIMS-UHFFFAOYSA-N -1 3 205.177 0.158 20 0 BCADHM O=C(Nc1ccc[nH]c1=O)c1cn[n-]n1 ZINC000625197350 342908335 /nfs/dbraw/zinc/90/83/35/342908335.db2.gz BDAMACYWMVPIMS-UHFFFAOYSA-N -1 3 205.177 0.158 20 0 BCADHM CC[C@@H](CO)Nc1ccncc1C(=O)[O-] ZINC000233871193 342913226 /nfs/dbraw/zinc/91/32/26/342913226.db2.gz WRNOHDAWIMHJCT-ZETCQYMHSA-N -1 3 210.233 0.963 20 0 BCADHM CC[C@@H](NC(=O)[C@@H]1NCCCC1(C)C)C(=O)[O-] ZINC000233887309 342913401 /nfs/dbraw/zinc/91/34/01/342913401.db2.gz AUIZDEIGRPKEOK-BDAKNGLRSA-N -1 3 242.319 0.744 20 0 BCADHM CC1(C)C(=O)NCCN1C(=O)c1ccccc1[O-] ZINC000106359497 398327368 /nfs/dbraw/zinc/32/73/68/398327368.db2.gz MDZPUEFJEJSZHH-UHFFFAOYSA-N -1 3 248.282 0.743 20 0 BCADHM CN(C)CCn1[n-]c(-c2ccncc2)cc1=O ZINC000634589717 342936498 /nfs/dbraw/zinc/93/64/98/342936498.db2.gz GQUGRXZDIBRVCW-UHFFFAOYSA-N -1 3 232.287 0.580 20 0 BCADHM C[C@@H]1CC[C@@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC000351651283 136248998 /nfs/dbraw/zinc/24/89/98/136248998.db2.gz QRZBICDREMEOCQ-RKDXNWHRSA-N -1 3 240.307 0.493 20 0 BCADHM CN(C)[C@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000111740158 398332216 /nfs/dbraw/zinc/33/22/16/398332216.db2.gz GIFVUDIMOFSJKL-JTQLQIEISA-N -1 3 235.287 0.563 20 0 BCADHM C[C@@H]1CCc2[n-]n(CCN(C)C)c(=O)c21 ZINC000634590034 342937259 /nfs/dbraw/zinc/93/72/59/342937259.db2.gz OMVWYKYQUWBBNI-PSASIEDQSA-N -1 3 209.293 0.792 20 0 BCADHM CC(C)N1CCN([C@H](C)C(=O)[O-])CC1 ZINC000036190369 187208040 /nfs/dbraw/zinc/20/80/40/187208040.db2.gz TUOZVBYJZAPHQP-SECBINFHSA-N -1 3 200.282 0.486 20 0 BCADHM CC(C)N1CCN([C@@H](C)C(=O)[O-])CC1 ZINC000036190367 187208537 /nfs/dbraw/zinc/20/85/37/187208537.db2.gz TUOZVBYJZAPHQP-VIFPVBQESA-N -1 3 200.282 0.486 20 0 BCADHM CCn1ccnc1/C=C/C(=O)[N-]OCCOC ZINC000492956884 529554676 /nfs/dbraw/zinc/55/46/76/529554676.db2.gz RHQMRYOBCQMRNV-SNAWJCMRSA-N -1 3 239.275 0.610 20 0 BCADHM CC(C)(C)[C@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000354439968 187210264 /nfs/dbraw/zinc/21/02/64/187210264.db2.gz YZNOLVQFHDBCCR-QMMMGPOBSA-N -1 3 235.291 0.545 20 0 BCADHM C[C@H]1CCc2c(=O)n(-c3nc[nH]n3)[n-]c21 ZINC000634608105 343003678 /nfs/dbraw/zinc/00/36/78/343003678.db2.gz RJACNEQDGOJVCT-NTSWFWBYSA-N -1 3 205.221 0.553 20 0 BCADHM O=c1[n-]nc(CN2CC[C@@](O)(C3CC3)C2)s1 ZINC000375318114 187225265 /nfs/dbraw/zinc/22/52/65/187225265.db2.gz DEUJXCVTDNPMKC-JTQLQIEISA-N -1 3 241.316 0.591 20 0 BCADHM CCC[C@@H](C)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000336626885 136264693 /nfs/dbraw/zinc/26/46/93/136264693.db2.gz OBGJNHRFKVMCDT-BDAKNGLRSA-N -1 3 225.292 0.411 20 0 BCADHM C[C@H]1CC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000336752569 187230881 /nfs/dbraw/zinc/23/08/81/187230881.db2.gz GZTBDOSRHIWKHG-XPUUQOCRSA-N -1 3 203.249 0.937 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC/C=C\CO ZINC000628060577 343090371 /nfs/dbraw/zinc/09/03/71/343090371.db2.gz SDCPZLUYUQJVES-IHWYPQMZSA-N -1 3 221.256 0.979 20 0 BCADHM C[C@H](C(=O)[O-])N(C)C[C@H](O)C(F)(F)F ZINC000082681341 362100352 /nfs/dbraw/zinc/10/03/52/362100352.db2.gz RTZOSKQMUWDTLQ-UHNVWZDZSA-N -1 3 215.171 0.315 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1CCCO1 ZINC000576885434 365715299 /nfs/dbraw/zinc/71/52/99/365715299.db2.gz PMSKCYHWVLOJTB-LURJTMIESA-N -1 3 239.231 0.314 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1CCCO1 ZINC000576885434 365715302 /nfs/dbraw/zinc/71/53/02/365715302.db2.gz PMSKCYHWVLOJTB-LURJTMIESA-N -1 3 239.231 0.314 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1ncc[nH]1 ZINC000125394012 343173614 /nfs/dbraw/zinc/17/36/14/343173614.db2.gz ZDNOCZZQRMNORZ-RXMQYKEDSA-N -1 3 206.209 0.019 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1ncc[nH]1 ZINC000125394012 343173615 /nfs/dbraw/zinc/17/36/15/343173615.db2.gz ZDNOCZZQRMNORZ-RXMQYKEDSA-N -1 3 206.209 0.019 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1ncc[nH]1 ZINC000125394012 343173616 /nfs/dbraw/zinc/17/36/16/343173616.db2.gz ZDNOCZZQRMNORZ-RXMQYKEDSA-N -1 3 206.209 0.019 20 0 BCADHM O=C(NC1(CO)CC1)c1ccc2n[n-]nc2c1 ZINC000162165508 343205007 /nfs/dbraw/zinc/20/50/07/343205007.db2.gz XPDIOILNZBKAIY-UHFFFAOYSA-N -1 3 232.243 0.213 20 0 BCADHM Cc1cccnc1NC(=O)c1nnc[n-]1 ZINC000087441215 136281476 /nfs/dbraw/zinc/28/14/76/136281476.db2.gz HRQCEPXNJGYOFM-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1cccnc1NC(=O)c1nc[n-]n1 ZINC000087441215 136281477 /nfs/dbraw/zinc/28/14/77/136281477.db2.gz HRQCEPXNJGYOFM-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM O=C(CNC(=O)c1ccccc1[O-])NC1CC1 ZINC000032195646 343230707 /nfs/dbraw/zinc/23/07/07/343230707.db2.gz PWWKZCCFNNVOLG-UHFFFAOYSA-N -1 3 234.255 0.401 20 0 BCADHM CN(C(=O)c1cc(=O)[n-]cn1)[C@H]1CCOC1 ZINC000625338131 343240292 /nfs/dbraw/zinc/24/02/92/343240292.db2.gz BHTJROZGHIHOQX-ZETCQYMHSA-N -1 3 223.232 0.043 20 0 BCADHM COC(=O)CN(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000035176976 343288120 /nfs/dbraw/zinc/28/81/20/343288120.db2.gz AUTTXJFNLWCUAQ-UHFFFAOYSA-N -1 3 248.242 0.203 20 0 BCADHM C[C@@H]1OCC[C@@H]1CN1CCOC[C@@H]1C(=O)[O-] ZINC000634690437 343276674 /nfs/dbraw/zinc/27/66/74/343276674.db2.gz LLLOMSCVLSFQHA-IVZWLZJFSA-N -1 3 229.276 0.197 20 0 BCADHM COC[C@H](C)C[N-]S(=O)(=O)c1ccccn1 ZINC000340083133 136286049 /nfs/dbraw/zinc/28/60/49/136286049.db2.gz PFVZWWQHDLSVMK-SECBINFHSA-N -1 3 244.316 0.642 20 0 BCADHM CC(C)(C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948781 343294837 /nfs/dbraw/zinc/29/48/37/343294837.db2.gz MGUCAADMGLZJQB-UHFFFAOYSA-N -1 3 217.294 0.734 20 0 BCADHM CC[C@@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948973 343294875 /nfs/dbraw/zinc/29/48/75/343294875.db2.gz ZXWHCPDPMAUTPQ-SSDOTTSWSA-N -1 3 217.294 0.734 20 0 BCADHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069949016 343294878 /nfs/dbraw/zinc/29/48/78/343294878.db2.gz BULLKCQAOPGSRT-YUMQZZPRSA-N -1 3 229.305 0.877 20 0 BCADHM O=S(=O)([N-]Cc1nccs1)c1c[nH]cn1 ZINC000069948823 343294923 /nfs/dbraw/zinc/29/49/23/343294923.db2.gz LUYCJURBMBQXFD-UHFFFAOYSA-N -1 3 244.301 0.345 20 0 BCADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)CC)C(=O)OC ZINC000070238513 343314128 /nfs/dbraw/zinc/31/41/28/343314128.db2.gz HHPZTRKANLPJNE-SFYZADRCSA-N -1 3 237.321 0.513 20 0 BCADHM O=C(NCCOCC1CC1)c1cc(=O)[n-]cn1 ZINC000625377354 343362772 /nfs/dbraw/zinc/36/27/72/343362772.db2.gz ZZXVCIUCVTZBRP-UHFFFAOYSA-N -1 3 237.259 0.339 20 0 BCADHM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1C ZINC000335672132 136313524 /nfs/dbraw/zinc/31/35/24/136313524.db2.gz LOLZEGBPPPQGIS-BDAKNGLRSA-N -1 3 224.308 0.586 20 0 BCADHM O=C(c1ccccc1[O-])N1C[C@@H](O)C2(CC2)C1 ZINC000335733479 136349441 /nfs/dbraw/zinc/34/94/41/136349441.db2.gz JIFMQQRHPQVUEC-LLVKDONJSA-N -1 3 233.267 0.989 20 0 BCADHM CNCc1cn([C@@H](C)c2nc(C)cc(=O)[n-]2)nn1 ZINC000641146614 362240065 /nfs/dbraw/zinc/24/00/65/362240065.db2.gz QIMQGRZNRKIXRW-QMMMGPOBSA-N -1 3 248.290 0.411 20 0 BCADHM O=C([O-])C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000083913147 343508860 /nfs/dbraw/zinc/50/88/60/343508860.db2.gz LCYQIHJFBSAKBJ-QMMMGPOBSA-N -1 3 226.276 0.204 20 0 BCADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)C(N)=O ZINC000044377364 343499187 /nfs/dbraw/zinc/49/91/87/343499187.db2.gz MLAQYBVGEXUKHP-ZETCQYMHSA-N -1 3 242.225 0.768 20 0 BCADHM COC(=O)NCC(=O)Nc1ccc(C)cc1[O-] ZINC000048911692 343589825 /nfs/dbraw/zinc/58/98/25/343589825.db2.gz LFRXFYVTMNVYRO-UHFFFAOYSA-N -1 3 238.243 0.995 20 0 BCADHM Cc1ccc(C(=O)NC[C@@H]2CCC(=O)N2)c([O-])c1 ZINC000071030749 343590784 /nfs/dbraw/zinc/59/07/84/343590784.db2.gz YKBNPNVYGXAUKI-VIFPVBQESA-N -1 3 248.282 0.709 20 0 BCADHM CO[C@H](C)CN1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000634694255 343620099 /nfs/dbraw/zinc/62/00/99/343620099.db2.gz DHFYMRNFEUUQPX-YWVKMMECSA-N -1 3 231.292 0.585 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](N)C1CCC1 ZINC000399095156 488227433 /nfs/dbraw/zinc/22/74/33/488227433.db2.gz VECTYPZTIVKCCH-DTWKUNHWSA-N -1 3 228.292 0.435 20 0 BCADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000083574442 343635392 /nfs/dbraw/zinc/63/53/92/343635392.db2.gz GIFLSKXCGDNTAU-RXMQYKEDSA-N -1 3 235.247 0.901 20 0 BCADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000083574442 343635394 /nfs/dbraw/zinc/63/53/94/343635394.db2.gz GIFLSKXCGDNTAU-RXMQYKEDSA-N -1 3 235.247 0.901 20 0 BCADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000083574442 343635396 /nfs/dbraw/zinc/63/53/96/343635396.db2.gz GIFLSKXCGDNTAU-RXMQYKEDSA-N -1 3 235.247 0.901 20 0 BCADHM COCCN1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000634695251 343622291 /nfs/dbraw/zinc/62/22/91/343622291.db2.gz RCKLDYIUEUSGQU-WCBMZHEXSA-N -1 3 217.265 0.197 20 0 BCADHM CN(C)c1n[nH]c([N-]C(=O)c2cncs2)n1 ZINC000286059272 187345032 /nfs/dbraw/zinc/34/50/32/187345032.db2.gz QYSIGEMASIVWEI-UHFFFAOYSA-N -1 3 238.276 0.580 20 0 BCADHM Cc1cnccc1NC(=O)c1nc[n-]n1 ZINC000087444347 343650015 /nfs/dbraw/zinc/65/00/15/343650015.db2.gz PSSYHOGXBSMMDB-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1cc(C(=O)N2C[C@H](C)[C@H]2C)[n-]c(=O)n1 ZINC000294111868 187350022 /nfs/dbraw/zinc/35/00/22/187350022.db2.gz NADLDIHESXRDSY-POYBYMJQSA-N -1 3 221.260 0.971 20 0 BCADHM CC(C)N(CC(N)=O)C(=O)c1cccc([O-])c1 ZINC000055379197 187271872 /nfs/dbraw/zinc/27/18/72/187271872.db2.gz UZUGOERHSARAMZ-UHFFFAOYSA-N -1 3 236.271 0.728 20 0 BCADHM CNC(=O)[C@@H](C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492473989 529895071 /nfs/dbraw/zinc/89/50/71/529895071.db2.gz NOMHJRXIAVDWNF-TUUFMJSCSA-N -1 3 249.270 0.051 20 0 BCADHM CC1CCC(O)(CNC(=O)c2c[n-]nn2)CC1 ZINC000159075230 347009349 /nfs/dbraw/zinc/00/93/49/347009349.db2.gz FSIUIOQYHMPYQY-UHFFFAOYSA-N -1 3 238.291 0.476 20 0 BCADHM CC1CCC(O)(CNC(=O)c2cnn[n-]2)CC1 ZINC000159075230 347009352 /nfs/dbraw/zinc/00/93/52/347009352.db2.gz FSIUIOQYHMPYQY-UHFFFAOYSA-N -1 3 238.291 0.476 20 0 BCADHM CC1CCC(O)(CNC(=O)c2cn[n-]n2)CC1 ZINC000159075230 347009357 /nfs/dbraw/zinc/00/93/57/347009357.db2.gz FSIUIOQYHMPYQY-UHFFFAOYSA-N -1 3 238.291 0.476 20 0 BCADHM Cc1nc(C(=O)[N-]c2nncn2C)co1 ZINC000683919714 488244571 /nfs/dbraw/zinc/24/45/71/488244571.db2.gz ZCMAMDZTIITXDF-UHFFFAOYSA-N -1 3 207.193 0.364 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)CC(N)=O ZINC000625785244 344074023 /nfs/dbraw/zinc/07/40/23/344074023.db2.gz LJRFMPMTSZKHHD-QMMMGPOBSA-N -1 3 236.271 0.694 20 0 BCADHM O=S(=O)([N-]C[C@@H](O)C1CC1)c1cscn1 ZINC000570679586 323066663 /nfs/dbraw/zinc/06/66/63/323066663.db2.gz QAVFILMABBLBGQ-SSDOTTSWSA-N -1 3 248.329 0.192 20 0 BCADHM CC[C@@H](COC)NC(=O)c1cc(=O)[n-]cn1 ZINC000625748170 344062780 /nfs/dbraw/zinc/06/27/80/344062780.db2.gz VSHCRYZHTKOZIV-ZETCQYMHSA-N -1 3 225.248 0.337 20 0 BCADHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)[C@@H]1CCOC1 ZINC000625813719 344081606 /nfs/dbraw/zinc/08/16/06/344081606.db2.gz BJEHGMWSKZJKQE-JGVFFNPUSA-N -1 3 237.259 0.337 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@H]2C[C@H]2C1 ZINC000628130654 344160458 /nfs/dbraw/zinc/16/04/58/344160458.db2.gz GUEOLVGVBZPVHJ-YUMQZZPRSA-N -1 3 219.244 0.664 20 0 BCADHM CC1(O)CN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000622032792 344215213 /nfs/dbraw/zinc/21/52/13/344215213.db2.gz WGAVFEYABZJBPN-UHFFFAOYSA-N -1 3 226.207 0.133 20 0 BCADHM COc1nc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)n[n-]1 ZINC000632258396 344215509 /nfs/dbraw/zinc/21/55/09/344215509.db2.gz YVWDZXQZQXLMIB-FSDSQADBSA-N -1 3 240.263 0.565 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)[n-]1 ZINC000632258396 344215510 /nfs/dbraw/zinc/21/55/10/344215510.db2.gz YVWDZXQZQXLMIB-FSDSQADBSA-N -1 3 240.263 0.565 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)n1 ZINC000632258396 344215512 /nfs/dbraw/zinc/21/55/12/344215512.db2.gz YVWDZXQZQXLMIB-FSDSQADBSA-N -1 3 240.263 0.565 20 0 BCADHM Cc1nc(C)c([N-]S(=O)(=O)N(C)C)s1 ZINC000088545738 344240541 /nfs/dbraw/zinc/24/05/41/344240541.db2.gz GMZIDSGOGJSWOH-UHFFFAOYSA-N -1 3 235.334 0.978 20 0 BCADHM C[C@H](C[C@H](C)O)NC(=O)c1ccc(O)cc1[O-] ZINC000228170467 259374489 /nfs/dbraw/zinc/37/44/89/259374489.db2.gz WKQYFKVJQPZKND-SFYZADRCSA-N -1 3 239.271 0.987 20 0 BCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)[C@@H](C)O1 ZINC000384933376 344269619 /nfs/dbraw/zinc/26/96/19/344269619.db2.gz STUKMAKEAWIBJQ-PRJMDXOYSA-N -1 3 245.304 0.254 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCCCN1 ZINC000400281386 344461623 /nfs/dbraw/zinc/46/16/23/344461623.db2.gz DQXCKDAAGRJBSP-UHFFFAOYSA-N -1 3 222.244 0.838 20 0 BCADHM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1ccccn1 ZINC000132537419 344475268 /nfs/dbraw/zinc/47/52/68/344475268.db2.gz MYIMBLSELULPCG-VIFPVBQESA-N -1 3 244.316 0.377 20 0 BCADHM C[C@](O)(CNC(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000625930931 344571484 /nfs/dbraw/zinc/57/14/84/344571484.db2.gz GYSWWHGQQWODIA-NSHDSACASA-N -1 3 237.259 0.073 20 0 BCADHM CC[C@](C)(O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000625923786 344566179 /nfs/dbraw/zinc/56/61/79/344566179.db2.gz TVNOBNQUERPCQW-JTQLQIEISA-N -1 3 225.248 0.073 20 0 BCADHM CC[C@@](C)(O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000625923787 344566233 /nfs/dbraw/zinc/56/62/33/344566233.db2.gz TVNOBNQUERPCQW-SNVBAGLBSA-N -1 3 225.248 0.073 20 0 BCADHM COc1cccc(C(=O)N[C@@H]2CC[C@H]2O)c1[O-] ZINC000425060270 192073047 /nfs/dbraw/zinc/07/30/47/192073047.db2.gz NERBSZKMKDGLCE-RKDXNWHRSA-N -1 3 237.255 0.654 20 0 BCADHM CN(CC(C)(C)O)C(=O)c1cc(=O)[n-]cn1 ZINC000625961262 344604472 /nfs/dbraw/zinc/60/44/72/344604472.db2.gz XRGUAOMISNZGLK-UHFFFAOYSA-N -1 3 225.248 0.025 20 0 BCADHM C[C@H](O)CCN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000625973959 344640892 /nfs/dbraw/zinc/64/08/92/344640892.db2.gz YRJITDVAQKAAJJ-ZETCQYMHSA-N -1 3 225.248 0.025 20 0 BCADHM C[C@H](SCCc1nnn[n-]1)c1nncn1C ZINC000603339845 349916602 /nfs/dbraw/zinc/91/66/02/349916602.db2.gz HKRPJIOAOUJSLQ-LURJTMIESA-N -1 3 239.308 0.365 20 0 BCADHM C[C@H](SCCc1nn[n-]n1)c1nncn1C ZINC000603339845 349916605 /nfs/dbraw/zinc/91/66/05/349916605.db2.gz HKRPJIOAOUJSLQ-LURJTMIESA-N -1 3 239.308 0.365 20 0 BCADHM C(Cc1nnn[n-]1)SC[C@@H]1CCOC1 ZINC000603340109 349917898 /nfs/dbraw/zinc/91/78/98/349917898.db2.gz TYQGELRQXYCMFY-SSDOTTSWSA-N -1 3 214.294 0.512 20 0 BCADHM C(Cc1nn[n-]n1)SC[C@@H]1CCOC1 ZINC000603340109 349917901 /nfs/dbraw/zinc/91/79/01/349917901.db2.gz TYQGELRQXYCMFY-SSDOTTSWSA-N -1 3 214.294 0.512 20 0 BCADHM OCCCCCSCCc1nnn[n-]1 ZINC000603340800 349917450 /nfs/dbraw/zinc/91/74/50/349917450.db2.gz WLNBYOHSZAPDKS-UHFFFAOYSA-N -1 3 216.310 0.638 20 0 BCADHM OCCCCCSCCc1nn[n-]n1 ZINC000603340800 349917451 /nfs/dbraw/zinc/91/74/51/349917451.db2.gz WLNBYOHSZAPDKS-UHFFFAOYSA-N -1 3 216.310 0.638 20 0 BCADHM O=C(NN=c1cccn[n-]1)N[C@H]1CCSC1 ZINC000075803931 344792201 /nfs/dbraw/zinc/79/22/01/344792201.db2.gz FMTPPDAFMKOKEN-ZETCQYMHSA-N -1 3 239.304 0.608 20 0 BCADHM C(Cc1nnn[n-]1)SC[C@H]1CCOC1 ZINC000603340110 349917737 /nfs/dbraw/zinc/91/77/37/349917737.db2.gz TYQGELRQXYCMFY-ZETCQYMHSA-N -1 3 214.294 0.512 20 0 BCADHM C(Cc1nn[n-]n1)SC[C@H]1CCOC1 ZINC000603340110 349917739 /nfs/dbraw/zinc/91/77/39/349917739.db2.gz TYQGELRQXYCMFY-ZETCQYMHSA-N -1 3 214.294 0.512 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)CO)o1 ZINC000678620167 488273068 /nfs/dbraw/zinc/27/30/68/488273068.db2.gz ULRDQKJMDBXPAS-UHFFFAOYSA-N -1 3 247.316 0.885 20 0 BCADHM C[C@@H](O)CCSCCc1nnn[n-]1 ZINC000603341746 349918507 /nfs/dbraw/zinc/91/85/07/349918507.db2.gz QVOKPGZKJMXETK-ZCFIWIBFSA-N -1 3 202.283 0.246 20 0 BCADHM C[C@@H](O)CCSCCc1nn[n-]n1 ZINC000603341746 349918510 /nfs/dbraw/zinc/91/85/10/349918510.db2.gz QVOKPGZKJMXETK-ZCFIWIBFSA-N -1 3 202.283 0.246 20 0 BCADHM O=C(COCC1CC1)NN=c1cccn[n-]1 ZINC000077028684 344812958 /nfs/dbraw/zinc/81/29/58/344812958.db2.gz DABMVJYXCVEKOV-UHFFFAOYSA-N -1 3 222.248 0.346 20 0 BCADHM C[C@@H](N(C)CC(=O)Nc1nnn[n-]1)C(C)(C)C ZINC000583367849 344836649 /nfs/dbraw/zinc/83/66/49/344836649.db2.gz KUEZVFPOZLVNDX-SSDOTTSWSA-N -1 3 240.311 0.505 20 0 BCADHM C[C@@H](N(C)CC(=O)Nc1nn[n-]n1)C(C)(C)C ZINC000583367849 344836652 /nfs/dbraw/zinc/83/66/52/344836652.db2.gz KUEZVFPOZLVNDX-SSDOTTSWSA-N -1 3 240.311 0.505 20 0 BCADHM O=C(NN=c1cccn[n-]1)C1CC=CC1 ZINC000077615842 344823054 /nfs/dbraw/zinc/82/30/54/344823054.db2.gz PRCNHGNVVBUEKR-UHFFFAOYSA-N -1 3 204.233 0.886 20 0 BCADHM CCN1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000678719276 488278233 /nfs/dbraw/zinc/27/82/33/488278233.db2.gz XWBDUEWCGHHTJZ-MRVPVSSYSA-N -1 3 225.296 0.036 20 0 BCADHM CC[C@H](CO)NS(=O)(=O)c1ccc([O-])cc1 ZINC000425171566 192082620 /nfs/dbraw/zinc/08/26/20/192082620.db2.gz RFFPKXGKLNWQPR-MRVPVSSYSA-N -1 3 245.300 0.441 20 0 BCADHM Cc1ccc([O-])c(CN2CCn3ncnc3C2)n1 ZINC000329977485 178795084 /nfs/dbraw/zinc/79/50/84/178795084.db2.gz ZSPIUGCTIPAMCH-UHFFFAOYSA-N -1 3 245.286 0.703 20 0 BCADHM COc1ccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c([O-])c1 ZINC000641569067 362507313 /nfs/dbraw/zinc/50/73/13/362507313.db2.gz RAVLUGBMUHRIHL-AMIZOPFISA-N -1 3 249.266 0.608 20 0 BCADHM COc1ccnc(SCCc2nnn[n-]2)n1 ZINC000641636367 362567620 /nfs/dbraw/zinc/56/76/20/362567620.db2.gz AAJMIKVVIPRVRF-UHFFFAOYSA-N -1 3 238.276 0.333 20 0 BCADHM COc1ccnc(SCCc2nn[n-]n2)n1 ZINC000641636367 362567625 /nfs/dbraw/zinc/56/76/25/362567625.db2.gz AAJMIKVVIPRVRF-UHFFFAOYSA-N -1 3 238.276 0.333 20 0 BCADHM Cc1cncnc1SCCc1nnn[n-]1 ZINC000641637865 362566033 /nfs/dbraw/zinc/56/60/33/362566033.db2.gz QJTOVORARDODOD-UHFFFAOYSA-N -1 3 222.277 0.633 20 0 BCADHM Cc1cncnc1SCCc1nn[n-]n1 ZINC000641637865 362566037 /nfs/dbraw/zinc/56/60/37/362566037.db2.gz QJTOVORARDODOD-UHFFFAOYSA-N -1 3 222.277 0.633 20 0 BCADHM COCCS(=O)(=O)[N-]c1cncc(C)c1 ZINC000080299626 345143341 /nfs/dbraw/zinc/14/33/41/345143341.db2.gz PKZFBFQPVSMVFO-UHFFFAOYSA-N -1 3 230.289 0.778 20 0 BCADHM C[C@H](C(=O)[O-])N1CCO[C@@H](C(F)F)CC1 ZINC000635018380 345222305 /nfs/dbraw/zinc/22/23/05/345222305.db2.gz GQUNHKWLWITMDD-RNFRBKRXSA-N -1 3 223.219 0.816 20 0 BCADHM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCC(=O)[O-] ZINC000574891644 345263576 /nfs/dbraw/zinc/26/35/76/345263576.db2.gz JWSUVXSLDSDPEJ-QXEWZRGKSA-N -1 3 241.287 0.735 20 0 BCADHM C[C@H](O)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000493420746 323085805 /nfs/dbraw/zinc/08/58/05/323085805.db2.gz OGZPGDFDOMHPOF-KZUAUGPASA-N -1 3 222.244 0.297 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1CCNC(=O)C1 ZINC000151572466 345378083 /nfs/dbraw/zinc/37/80/83/345378083.db2.gz BQIIJZAUCHUPIS-ZETCQYMHSA-N -1 3 235.243 0.252 20 0 BCADHM Cc1ccc([O-])c(CN[C@H](C)CC(N)=O)n1 ZINC000158896574 345385877 /nfs/dbraw/zinc/38/58/77/345385877.db2.gz UARCBNLNLFFDLK-MRVPVSSYSA-N -1 3 223.276 0.449 20 0 BCADHM CC(C)(C)NC(=O)CSCCc1nnn[n-]1 ZINC000603338017 349928369 /nfs/dbraw/zinc/92/83/69/349928369.db2.gz PQPPLUCHUJBGRX-UHFFFAOYSA-N -1 3 243.336 0.390 20 0 BCADHM CC(C)(C)NC(=O)CSCCc1nn[n-]n1 ZINC000603338017 349928371 /nfs/dbraw/zinc/92/83/71/349928371.db2.gz PQPPLUCHUJBGRX-UHFFFAOYSA-N -1 3 243.336 0.390 20 0 BCADHM c1cc(CSCCc2nnn[n-]2)no1 ZINC000603337439 349928445 /nfs/dbraw/zinc/92/84/45/349928445.db2.gz HQYDCEAMNVONRT-UHFFFAOYSA-N -1 3 211.250 0.664 20 0 BCADHM c1cc(CSCCc2nn[n-]n2)no1 ZINC000603337439 349928447 /nfs/dbraw/zinc/92/84/47/349928447.db2.gz HQYDCEAMNVONRT-UHFFFAOYSA-N -1 3 211.250 0.664 20 0 BCADHM CC[C@H](SCCc1nnn[n-]1)C(=O)OC ZINC000603337020 349927353 /nfs/dbraw/zinc/92/73/53/349927353.db2.gz GCRLPKKCKPWXJF-LURJTMIESA-N -1 3 230.293 0.427 20 0 BCADHM CC[C@H](SCCc1nn[n-]n1)C(=O)OC ZINC000603337020 349927356 /nfs/dbraw/zinc/92/73/56/349927356.db2.gz GCRLPKKCKPWXJF-LURJTMIESA-N -1 3 230.293 0.427 20 0 BCADHM c1cn(CCCSCCc2nnn[n-]2)cn1 ZINC000603338869 349929554 /nfs/dbraw/zinc/92/95/54/349929554.db2.gz KKAGUMJXCKVQPZ-UHFFFAOYSA-N -1 3 238.320 0.762 20 0 BCADHM c1cn(CCCSCCc2nn[n-]n2)cn1 ZINC000603338869 349929555 /nfs/dbraw/zinc/92/95/55/349929555.db2.gz KKAGUMJXCKVQPZ-UHFFFAOYSA-N -1 3 238.320 0.762 20 0 BCADHM CC1(C(=O)CSCCc2nnn[n-]2)CC1 ZINC000603339008 349929563 /nfs/dbraw/zinc/92/95/63/349929563.db2.gz APRWFBJSJMZLKO-UHFFFAOYSA-N -1 3 226.305 0.845 20 0 BCADHM CC1(C(=O)CSCCc2nn[n-]n2)CC1 ZINC000603339008 349929564 /nfs/dbraw/zinc/92/95/64/349929564.db2.gz APRWFBJSJMZLKO-UHFFFAOYSA-N -1 3 226.305 0.845 20 0 BCADHM c1snnc1CSCCc1nnn[n-]1 ZINC000603339554 349929768 /nfs/dbraw/zinc/92/97/68/349929768.db2.gz DVRGKGIJDTXTCL-UHFFFAOYSA-N -1 3 228.306 0.527 20 0 BCADHM c1snnc1CSCCc1nn[n-]n1 ZINC000603339554 349929772 /nfs/dbraw/zinc/92/97/72/349929772.db2.gz DVRGKGIJDTXTCL-UHFFFAOYSA-N -1 3 228.306 0.527 20 0 BCADHM CC(C)(C)[C@H](CCO)NCc1n[nH]c(=O)[n-]1 ZINC000336652999 187305165 /nfs/dbraw/zinc/30/51/65/187305165.db2.gz FVYFIWBGDBVUNR-ZETCQYMHSA-N -1 3 228.296 0.397 20 0 BCADHM CC(C)(O)CSCCc1nnn[n-]1 ZINC000603338789 349928862 /nfs/dbraw/zinc/92/88/62/349928862.db2.gz JDZDJEWSOOJDNZ-UHFFFAOYSA-N -1 3 202.283 0.246 20 0 BCADHM CC(C)(O)CSCCc1nn[n-]n1 ZINC000603338789 349928867 /nfs/dbraw/zinc/92/88/67/349928867.db2.gz JDZDJEWSOOJDNZ-UHFFFAOYSA-N -1 3 202.283 0.246 20 0 BCADHM CCC[C@H](O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000626120475 345509088 /nfs/dbraw/zinc/50/90/88/345509088.db2.gz DDNTYCZQNQFTNX-ZETCQYMHSA-N -1 3 225.248 0.073 20 0 BCADHM CCc1cccc(C(=O)N[C@@H](C)C(N)=O)c1[O-] ZINC000081710001 345485504 /nfs/dbraw/zinc/48/55/04/345485504.db2.gz HNMMNLUIITZLLP-ZETCQYMHSA-N -1 3 236.271 0.558 20 0 BCADHM CN(Cc1n[nH]c(=O)[n-]1)CC1CCCC1 ZINC000091551713 345597628 /nfs/dbraw/zinc/59/76/28/345597628.db2.gz VVQMQUSCSPBSTJ-UHFFFAOYSA-N -1 3 210.281 0.720 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)C(F)F ZINC000641729866 362645631 /nfs/dbraw/zinc/64/56/31/362645631.db2.gz MPWQXHDYHMLMCW-SCSAIBSYSA-N -1 3 213.191 0.792 20 0 BCADHM c1cn(-c2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000095235299 345684268 /nfs/dbraw/zinc/68/42/68/345684268.db2.gz PTXKMDAGPDKGLA-UHFFFAOYSA-N -1 3 213.204 0.447 20 0 BCADHM c1cn(-c2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000095235299 345684269 /nfs/dbraw/zinc/68/42/69/345684269.db2.gz PTXKMDAGPDKGLA-UHFFFAOYSA-N -1 3 213.204 0.447 20 0 BCADHM CN(C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000095318959 345685841 /nfs/dbraw/zinc/68/58/41/345685841.db2.gz WDRLCZJTNLVGJS-UHFFFAOYSA-N -1 3 246.274 0.367 20 0 BCADHM CN(C)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000095318959 345685844 /nfs/dbraw/zinc/68/58/44/345685844.db2.gz WDRLCZJTNLVGJS-UHFFFAOYSA-N -1 3 246.274 0.367 20 0 BCADHM CC[C@H](O)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000626141520 345698652 /nfs/dbraw/zinc/69/86/52/345698652.db2.gz UULOTYCTSPTVQZ-ZETCQYMHSA-N -1 3 225.248 0.073 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000620878200 345923264 /nfs/dbraw/zinc/92/32/64/345923264.db2.gz PFXLEBYTCDHGCU-ZKCHVHJHSA-N -1 3 247.254 0.522 20 0 BCADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@@H](O)C1 ZINC000635708663 345995097 /nfs/dbraw/zinc/99/50/97/345995097.db2.gz HVVSAZALZJEJFQ-DTORHVGOSA-N -1 3 239.246 0.918 20 0 BCADHM CCN(CCCO)C(=O)c1cc(F)c[n-]c1=O ZINC000635737008 346045742 /nfs/dbraw/zinc/04/57/42/346045742.db2.gz PSOMGNQKOPKQIG-UHFFFAOYSA-N -1 3 242.250 0.771 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H](O)C1 ZINC000635790907 346070696 /nfs/dbraw/zinc/07/06/96/346070696.db2.gz JXUGIBJLETVWOU-KNVOCYPGSA-N -1 3 208.217 0.497 20 0 BCADHM C[C@H]1CCN(C(=O)C(N)=O)c2c([O-])cccc21 ZINC000635807612 346072587 /nfs/dbraw/zinc/07/25/87/346072587.db2.gz NXWRIEKOEKIDHV-ZETCQYMHSA-N -1 3 234.255 0.718 20 0 BCADHM COc1cc(C(=O)NCCO)cc(OC)c1[O-] ZINC000149653252 346140682 /nfs/dbraw/zinc/14/06/82/346140682.db2.gz NABNREMQYRQYQV-UHFFFAOYSA-N -1 3 241.243 0.132 20 0 BCADHM CO[C@H](C)CN1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000563282875 323108119 /nfs/dbraw/zinc/10/81/19/323108119.db2.gz KNLAWRIFTJJOMI-HLTSFMKQSA-N -1 3 217.265 0.195 20 0 BCADHM Cc1cccc(C(=O)Nc2[n-]nnc2C(N)=O)c1 ZINC000362424399 179025191 /nfs/dbraw/zinc/02/51/91/179025191.db2.gz VBPGDJCLVOISOA-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM Cc1cccc(C(=O)Nc2nn[n-]c2C(N)=O)c1 ZINC000362424399 179025193 /nfs/dbraw/zinc/02/51/93/179025193.db2.gz VBPGDJCLVOISOA-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM Cc1cccc(C(=O)Nc2n[n-]nc2C(N)=O)c1 ZINC000362424399 179025196 /nfs/dbraw/zinc/02/51/96/179025196.db2.gz VBPGDJCLVOISOA-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM Cc1cccc(C(=O)N[C@@H]2CCN(C)C2=O)c1[O-] ZINC000152529704 179022395 /nfs/dbraw/zinc/02/23/95/179022395.db2.gz HOBKJMNRYZKQTC-SNVBAGLBSA-N -1 3 248.282 0.661 20 0 BCADHM Cc1cccc(C(=O)N[C@H]2C[C@@H](O)C2)c1[O-] ZINC000298093569 179022612 /nfs/dbraw/zinc/02/26/12/179022612.db2.gz BENSPTSBUSYDLW-DTORHVGOSA-N -1 3 221.256 0.954 20 0 BCADHM O=C(NCCOCC1CCCC1)c1c[n-]nn1 ZINC000313488423 349949154 /nfs/dbraw/zinc/94/91/54/349949154.db2.gz UHDOAOBTFVUUPG-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM O=C(NCCOCC1CCCC1)c1cnn[n-]1 ZINC000313488423 349949158 /nfs/dbraw/zinc/94/91/58/349949158.db2.gz UHDOAOBTFVUUPG-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM O=C(NCCOCC1CCCC1)c1cn[n-]n1 ZINC000313488423 349949159 /nfs/dbraw/zinc/94/91/59/349949159.db2.gz UHDOAOBTFVUUPG-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM CC(C)N(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000330921357 187368820 /nfs/dbraw/zinc/36/88/20/187368820.db2.gz QHUUSCZEFNHRLE-UHFFFAOYSA-N -1 3 238.291 0.729 20 0 BCADHM O=C(c1cn[n-]n1)N1OC2CCC1CC2 ZINC000636408457 346486447 /nfs/dbraw/zinc/48/64/47/346486447.db2.gz YCFXATALMQANDO-UHFFFAOYSA-N -1 3 208.221 0.503 20 0 BCADHM CCC[C@H](C)S(=O)(=O)[N-]Cc1noc(C)n1 ZINC000580146764 346556333 /nfs/dbraw/zinc/55/63/33/346556333.db2.gz CLWMJOBZDBJFEO-ZETCQYMHSA-N -1 3 247.320 0.986 20 0 BCADHM CCc1ccc([O-])c(C(=O)NCCO)c1 ZINC000165731171 346657076 /nfs/dbraw/zinc/65/70/76/346657076.db2.gz YOWHLKOUPATSQV-UHFFFAOYSA-N -1 3 209.245 0.677 20 0 BCADHM C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC000387835265 347106186 /nfs/dbraw/zinc/10/61/86/347106186.db2.gz ARUFEPFQDKMWDW-KWQFWETISA-N -1 3 221.256 0.845 20 0 BCADHM C[C@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H]1O ZINC000387841719 347110541 /nfs/dbraw/zinc/11/05/41/347110541.db2.gz GFSHUWMABMKAMU-WRWORJQWSA-N -1 3 237.255 0.551 20 0 BCADHM Cc1cccc([O-])c1NC(=O)CC(N)=O ZINC000352647327 179161136 /nfs/dbraw/zinc/16/11/36/179161136.db2.gz XBWUZCUPTDWLPO-UHFFFAOYSA-N -1 3 208.217 0.515 20 0 BCADHM CC1(C)C[C@H](NC(=O)c2c[n-]nn2)C(C)(C)O1 ZINC000183093702 347118974 /nfs/dbraw/zinc/11/89/74/347118974.db2.gz OJBMYOWTRPJNTQ-QMMMGPOBSA-N -1 3 238.291 0.881 20 0 BCADHM CC1(C)C[C@H](NC(=O)c2cnn[n-]2)C(C)(C)O1 ZINC000183093702 347118977 /nfs/dbraw/zinc/11/89/77/347118977.db2.gz OJBMYOWTRPJNTQ-QMMMGPOBSA-N -1 3 238.291 0.881 20 0 BCADHM CC1(C)C[C@H](NC(=O)c2cn[n-]n2)C(C)(C)O1 ZINC000183093702 347118979 /nfs/dbraw/zinc/11/89/79/347118979.db2.gz OJBMYOWTRPJNTQ-QMMMGPOBSA-N -1 3 238.291 0.881 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CCNC(=O)C2)c1 ZINC000019837718 347294270 /nfs/dbraw/zinc/29/42/70/347294270.db2.gz IFRKAIQFLICYHL-UHFFFAOYSA-N -1 3 234.255 0.273 20 0 BCADHM COC(=O)CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000019967253 347329643 /nfs/dbraw/zinc/32/96/43/347329643.db2.gz SEQDXJLCARSRFF-UHFFFAOYSA-N -1 3 237.255 0.946 20 0 BCADHM CC(C)(F)CCNC(=O)c1c[n-]nn1 ZINC000618406435 347396920 /nfs/dbraw/zinc/39/69/20/347396920.db2.gz RLROTUWYQJWMMK-UHFFFAOYSA-N -1 3 200.217 0.673 20 0 BCADHM CC(C)(F)CCNC(=O)c1cnn[n-]1 ZINC000618406435 347396924 /nfs/dbraw/zinc/39/69/24/347396924.db2.gz RLROTUWYQJWMMK-UHFFFAOYSA-N -1 3 200.217 0.673 20 0 BCADHM CC(C)(F)CCNC(=O)c1cn[n-]n1 ZINC000618406435 347396927 /nfs/dbraw/zinc/39/69/27/347396927.db2.gz RLROTUWYQJWMMK-UHFFFAOYSA-N -1 3 200.217 0.673 20 0 BCADHM O=C([O-])CN(CCO)Cc1ccc(F)cc1 ZINC000388541489 347450408 /nfs/dbraw/zinc/45/04/08/347450408.db2.gz DXWMFEINSGJVDM-UHFFFAOYSA-N -1 3 227.235 0.705 20 0 BCADHM CC(C)[C@@H]1CN(C(=O)c2ncccc2[O-])CCN1 ZINC000621157224 347448711 /nfs/dbraw/zinc/44/87/11/347448711.db2.gz RDPHWHMBZPWNSG-JTQLQIEISA-N -1 3 249.314 0.857 20 0 BCADHM Cc1ccccc1CC(=O)[N-]OCC(N)=O ZINC000089508846 179259708 /nfs/dbraw/zinc/25/97/08/179259708.db2.gz AKVSRRVBMBXTOL-UHFFFAOYSA-N -1 3 222.244 0.071 20 0 BCADHM CCCCOCCCNC(=O)c1c[n-]nn1 ZINC000048889260 323155778 /nfs/dbraw/zinc/15/57/78/323155778.db2.gz QSSSRPZURIOQQS-UHFFFAOYSA-N -1 3 226.280 0.741 20 0 BCADHM CCCCOCCCNC(=O)c1cnn[n-]1 ZINC000048889260 323155779 /nfs/dbraw/zinc/15/57/79/323155779.db2.gz QSSSRPZURIOQQS-UHFFFAOYSA-N -1 3 226.280 0.741 20 0 BCADHM CCCCOCCCNC(=O)c1cn[n-]n1 ZINC000048889260 323155780 /nfs/dbraw/zinc/15/57/80/323155780.db2.gz QSSSRPZURIOQQS-UHFFFAOYSA-N -1 3 226.280 0.741 20 0 BCADHM Cc1cnc(NC(=O)c2cn[n-]n2)s1 ZINC000048939473 323156133 /nfs/dbraw/zinc/15/61/33/323156133.db2.gz JTNLUFGKPVCATL-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM CCS(=O)(=O)[N-][C@@](C)(CCF)C(=O)OC ZINC000594863454 348116336 /nfs/dbraw/zinc/11/63/36/348116336.db2.gz DQCVLPHUMAIRIS-QMMMGPOBSA-N -1 3 241.284 0.217 20 0 BCADHM O=C([O-])c1cnccc1N1CC[C@@H](O)C1 ZINC000088109880 362903320 /nfs/dbraw/zinc/90/33/20/362903320.db2.gz TZAXDQCVLUOETH-SSDOTTSWSA-N -1 3 208.217 0.351 20 0 BCADHM CC[C@H](C(=O)Nc1ccncc1[O-])[C@@H](C)O ZINC000419862877 192147492 /nfs/dbraw/zinc/14/74/92/192147492.db2.gz BYGPEACPAZUSMV-SFYZADRCSA-N -1 3 224.260 0.555 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC1(C(N)=O)CCC1 ZINC000626232940 348635271 /nfs/dbraw/zinc/63/52/71/348635271.db2.gz XEKZVDPKIVGCDD-UHFFFAOYSA-N -1 3 248.282 0.838 20 0 BCADHM O=C([O-])CN1CCN(c2ccc(O)cc2)CC1 ZINC000212397566 348641925 /nfs/dbraw/zinc/64/19/25/348641925.db2.gz YYKWPHUPZKYGDA-UHFFFAOYSA-N -1 3 236.271 0.599 20 0 BCADHM CSC[C@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000599535496 349211967 /nfs/dbraw/zinc/21/19/67/349211967.db2.gz OHMBRZXASMKVPT-LURJTMIESA-N -1 3 227.289 0.664 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H]1C=CCC1 ZINC000603807957 350036758 /nfs/dbraw/zinc/03/67/58/350036758.db2.gz CPVGNNPOEZXAFX-GHMZBOCLSA-N -1 3 249.314 0.971 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C2(C)CCC2)cn1C ZINC000167423386 180029834 /nfs/dbraw/zinc/02/98/34/180029834.db2.gz PEMFKQFPILWXFN-UHFFFAOYSA-N -1 3 243.332 0.949 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C(C)C)cn1C ZINC000082720512 180028569 /nfs/dbraw/zinc/02/85/69/180028569.db2.gz VOYCTBAFYYBGFE-UHFFFAOYSA-N -1 3 217.294 0.415 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](O)C(C)C ZINC000292158892 180026802 /nfs/dbraw/zinc/02/68/02/180026802.db2.gz NAJIJCXYDPGHLP-ZETCQYMHSA-N -1 3 241.247 0.152 20 0 BCADHM CC1=CCN(C(=O)c2cc(=O)[n-]cn2)CC1 ZINC000626267285 350121926 /nfs/dbraw/zinc/12/19/26/350121926.db2.gz QLQALEFTZVRKCV-UHFFFAOYSA-N -1 3 219.244 0.974 20 0 BCADHM O=C([O-])c1cncnc1NCCN1CCCC1 ZINC000304162838 350146702 /nfs/dbraw/zinc/14/67/02/350146702.db2.gz MOFRZIFLBKVAFK-UHFFFAOYSA-N -1 3 236.275 0.683 20 0 BCADHM CCNC(=O)CNC(=O)c1c(C)cccc1[O-] ZINC000623531965 362950862 /nfs/dbraw/zinc/95/08/62/362950862.db2.gz VNVRFAPBYCHMBY-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccnnc1 ZINC000427166196 191055129 /nfs/dbraw/zinc/05/51/29/191055129.db2.gz BIHOASSAIRFWNC-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM Cc1nc[nH]c1CNC(=O)c1cncc([O-])c1 ZINC000339900598 180122518 /nfs/dbraw/zinc/12/25/18/180122518.db2.gz LFSXMFQQGKIBCO-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM Cc1ncc(NC(=O)c2nc[n-]n2)s1 ZINC000337309317 180169461 /nfs/dbraw/zinc/16/94/61/180169461.db2.gz ZAQMPCASDTWFON-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1ncc(NC(=O)c2cnn[n-]2)s1 ZINC000337290014 180170601 /nfs/dbraw/zinc/17/06/01/180170601.db2.gz CNFGYLGZXCDHQV-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1ncc(NC(=O)c2c[n-]nn2)s1 ZINC000337290014 180170603 /nfs/dbraw/zinc/17/06/03/180170603.db2.gz CNFGYLGZXCDHQV-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1ncc(NC(=O)c2cn[n-]n2)s1 ZINC000337290014 180170605 /nfs/dbraw/zinc/17/06/05/180170605.db2.gz CNFGYLGZXCDHQV-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1ncc(CNC(=O)N[C@H](C)CF)c(=O)[n-]1 ZINC000341581000 180147692 /nfs/dbraw/zinc/14/76/92/180147692.db2.gz JXCNFIOGGDWSND-ZCFIWIBFSA-N -1 3 242.254 0.648 20 0 BCADHM Cc1ncc(CNC(=O)c2cncnc2)c(=O)[n-]1 ZINC000355128398 180149758 /nfs/dbraw/zinc/14/97/58/180149758.db2.gz ZNTCNKBCKMPMDO-UHFFFAOYSA-N -1 3 245.242 0.211 20 0 BCADHM Cc1ncc(CNC(=O)[C@H](O)C(C)C)c(=O)[n-]1 ZINC000354611559 180150446 /nfs/dbraw/zinc/15/04/46/180150446.db2.gz JBLVFARZEURSDD-SECBINFHSA-N -1 3 239.275 0.124 20 0 BCADHM O=C(CCc1ccncn1)Nc1ccncc1[O-] ZINC000427721506 191090037 /nfs/dbraw/zinc/09/00/37/191090037.db2.gz YDLRJUFTFUTGPI-UHFFFAOYSA-N -1 3 244.254 0.570 20 0 BCADHM C[C@H](CC(=O)[O-])NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000427718360 191090139 /nfs/dbraw/zinc/09/01/39/191090139.db2.gz MBWUPXFDOLSTHL-BBBLOLIVSA-N -1 3 242.319 0.839 20 0 BCADHM Cc1ncncc1C(=O)NCc1ncccc1[O-] ZINC000352499203 180294877 /nfs/dbraw/zinc/29/48/77/180294877.db2.gz DYMITNKZWSQLHZ-UHFFFAOYSA-N -1 3 244.254 0.816 20 0 BCADHM Cn1cc(C(=O)N[C@@]23C[C@@H]2CCC3)c(=O)[n-]c1=O ZINC000617202814 350346924 /nfs/dbraw/zinc/34/69/24/350346924.db2.gz UGRLJQPCGRHAMC-MADCSZMMSA-N -1 3 249.270 0.158 20 0 BCADHM CN1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000040716190 350396138 /nfs/dbraw/zinc/39/61/38/350396138.db2.gz DLIDZFYCLIUQKX-VIFPVBQESA-N -1 3 235.287 0.611 20 0 BCADHM Cc1nn2c(nnc2SCC(F)F)[n-]c1=O ZINC000114860698 180394937 /nfs/dbraw/zinc/39/49/37/180394937.db2.gz LVUBWHKJERYXBO-UHFFFAOYSA-N -1 3 247.230 0.891 20 0 BCADHM CN(C(=O)c1cc(=O)[n-]cn1)[C@@H]1CCSC1 ZINC000626272010 350523027 /nfs/dbraw/zinc/52/30/27/350523027.db2.gz KSJBVWAZRDOGEA-SSDOTTSWSA-N -1 3 239.300 0.760 20 0 BCADHM O=C(NC1(CO)CCCC1)c1cc(=O)[n-]cn1 ZINC000626277218 350578592 /nfs/dbraw/zinc/57/85/92/350578592.db2.gz IOQLWKLPKNOCGR-UHFFFAOYSA-N -1 3 237.259 0.217 20 0 BCADHM O=C(NC1(CO)CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000577527183 365979328 /nfs/dbraw/zinc/97/93/28/365979328.db2.gz LFVRMCQCJNLHNP-UHFFFAOYSA-N -1 3 249.270 0.314 20 0 BCADHM O=c1[nH]cc(S(=O)(=O)[N-]C2CC=CC2)s1 ZINC000632101557 350649588 /nfs/dbraw/zinc/64/95/88/350649588.db2.gz XNIKFHCUEYTQCQ-UHFFFAOYSA-N -1 3 246.313 0.846 20 0 BCADHM COCCOc1cccc(-c2nnn[n-]2)c1 ZINC000095190800 350656750 /nfs/dbraw/zinc/65/67/50/350656750.db2.gz NNLXPPRCMCZKGQ-UHFFFAOYSA-N -1 3 220.232 0.892 20 0 BCADHM COCCOc1cccc(-c2nn[n-]n2)c1 ZINC000095190800 350656752 /nfs/dbraw/zinc/65/67/52/350656752.db2.gz NNLXPPRCMCZKGQ-UHFFFAOYSA-N -1 3 220.232 0.892 20 0 BCADHM CC(C)CN1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000035305551 358458131 /nfs/dbraw/zinc/45/81/31/358458131.db2.gz FEFIISUKRAVQCB-NSHDSACASA-N -1 3 244.335 0.360 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCOC[C@@H]1C1CC1 ZINC000626294599 350900204 /nfs/dbraw/zinc/90/02/04/350900204.db2.gz WYURUCMERVZNLY-SNVBAGLBSA-N -1 3 249.270 0.433 20 0 BCADHM CCO[C@H](C(=O)Nc1n[n-]c(OC)n1)C(C)C ZINC000626333206 350983533 /nfs/dbraw/zinc/98/35/33/350983533.db2.gz DHRMHEWESRZPRA-ZETCQYMHSA-N -1 3 242.279 0.813 20 0 BCADHM CCO[C@H](C(=O)Nc1nnc(OC)[n-]1)C(C)C ZINC000626333206 350983536 /nfs/dbraw/zinc/98/35/36/350983536.db2.gz DHRMHEWESRZPRA-ZETCQYMHSA-N -1 3 242.279 0.813 20 0 BCADHM CCO[C@H](C(=O)Nc1nc(OC)n[n-]1)C(C)C ZINC000626333206 350983541 /nfs/dbraw/zinc/98/35/41/350983541.db2.gz DHRMHEWESRZPRA-ZETCQYMHSA-N -1 3 242.279 0.813 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCC=C(F)C1 ZINC000626350201 350992175 /nfs/dbraw/zinc/99/21/75/350992175.db2.gz SGHASTRSHKZJJV-UHFFFAOYSA-N -1 3 223.207 0.882 20 0 BCADHM CCc1nn(C)cc1NC(=O)c1cc(=O)[n-]cn1 ZINC000626358230 351003466 /nfs/dbraw/zinc/00/34/66/351003466.db2.gz AFPXXUXKZIXCHI-UHFFFAOYSA-N -1 3 247.258 0.730 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCCC2(C1)OCCO2 ZINC000129276117 351019130 /nfs/dbraw/zinc/01/91/30/351019130.db2.gz SRHFKIWPAFEEEM-QMMMGPOBSA-N -1 3 215.249 0.298 20 0 BCADHM CCC[C@H](C)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000642251085 362991943 /nfs/dbraw/zinc/99/19/43/362991943.db2.gz ODYOTDQSWAPXAE-ZETCQYMHSA-N -1 3 239.275 0.404 20 0 BCADHM O=C(NC[C@@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000398359175 351123294 /nfs/dbraw/zinc/12/32/94/351123294.db2.gz WUEMSLNFUNTIFV-QMMMGPOBSA-N -1 3 234.255 0.258 20 0 BCADHM COC[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C(C)C ZINC000083400493 351232801 /nfs/dbraw/zinc/23/28/01/351232801.db2.gz FMILRUXQZROIFA-MRVPVSSYSA-N -1 3 247.320 0.359 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC2(CO)CC2)c1 ZINC000161310511 323494336 /nfs/dbraw/zinc/49/43/36/323494336.db2.gz UHTCQRZMGNEHOV-UHFFFAOYSA-N -1 3 221.256 0.955 20 0 BCADHM CCN(Cc1nc(=O)[n-][nH]1)Cc1ccncc1 ZINC000271744953 351432856 /nfs/dbraw/zinc/43/28/56/351432856.db2.gz XHCFPQYUCPOWOX-UHFFFAOYSA-N -1 3 233.275 0.515 20 0 BCADHM COc1ncc(CN(C)[C@@H](C)C(=O)[O-])c(C)n1 ZINC000577760492 366055880 /nfs/dbraw/zinc/05/58/80/366055880.db2.gz FFJBHVVHAFGZIA-QMMMGPOBSA-N -1 3 239.275 0.699 20 0 BCADHM O=C([N-]CCOc1ncccc1F)C(F)F ZINC000279767283 351823528 /nfs/dbraw/zinc/82/35/28/351823528.db2.gz FOVZOVPLLUJYKT-UHFFFAOYSA-N -1 3 234.177 0.981 20 0 BCADHM COCCC[N-]S(=O)(=O)c1ccccn1 ZINC000340079213 351881389 /nfs/dbraw/zinc/88/13/89/351881389.db2.gz GMERPDRXWVTNDB-UHFFFAOYSA-N -1 3 230.289 0.396 20 0 BCADHM CN1CC[C@H]([N-]S(=O)(=O)c2ccccn2)C1 ZINC000340080818 351882827 /nfs/dbraw/zinc/88/28/27/351882827.db2.gz LETRPTXGIBPJEP-VIFPVBQESA-N -1 3 241.316 0.064 20 0 BCADHM CC(C)[C@H]1CCCCN1CC(=O)NCC(=O)[O-] ZINC000262213076 535175421 /nfs/dbraw/zinc/17/54/21/535175421.db2.gz KAXNCZIMONBOQM-SNVBAGLBSA-N -1 3 242.319 0.698 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCCn1ccnn1 ZINC000626417907 352660361 /nfs/dbraw/zinc/66/03/61/352660361.db2.gz NUUIEMSQQAQXID-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM CCc1nc(C(=O)[N-]c2nnc(C)n2C)co1 ZINC000122156333 352660741 /nfs/dbraw/zinc/66/07/41/352660741.db2.gz RFLPDHZWWKOIDN-UHFFFAOYSA-N -1 3 235.247 0.926 20 0 BCADHM O=C([O-])[C@H]1CCCCN1Cc1cn[nH]c1 ZINC000307508578 352627503 /nfs/dbraw/zinc/62/75/03/352627503.db2.gz URJKUWVVCUYOQG-SECBINFHSA-N -1 3 209.249 0.849 20 0 BCADHM O=C(c1cccc([O-])c1)N1C[C@H](O)C2(CC2)C1 ZINC000334194643 352786879 /nfs/dbraw/zinc/78/68/79/352786879.db2.gz VEVVHRUFKTZPCD-NSHDSACASA-N -1 3 233.267 0.989 20 0 BCADHM O=C(NC[C@@H]1CCC[C@H](CO)C1)c1c[n-]nn1 ZINC000310415491 188001267 /nfs/dbraw/zinc/00/12/67/188001267.db2.gz XTMWKTUHINZUIO-BDAKNGLRSA-N -1 3 238.291 0.333 20 0 BCADHM O=C(NC[C@@H]1CCC[C@H](CO)C1)c1cnn[n-]1 ZINC000310415491 188001268 /nfs/dbraw/zinc/00/12/68/188001268.db2.gz XTMWKTUHINZUIO-BDAKNGLRSA-N -1 3 238.291 0.333 20 0 BCADHM O=C(NC[C@@H]1CCC[C@H](CO)C1)c1cn[n-]n1 ZINC000310415491 188001270 /nfs/dbraw/zinc/00/12/70/188001270.db2.gz XTMWKTUHINZUIO-BDAKNGLRSA-N -1 3 238.291 0.333 20 0 BCADHM COc1nc(NC(=O)[C@@H]2C[C@@]23CCOC3)n[n-]1 ZINC000364090836 188001298 /nfs/dbraw/zinc/00/12/98/188001298.db2.gz ACMFUKRGJIZQGZ-QUBYGPBYSA-N -1 3 238.247 0.178 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2C[C@@]23CCOC3)[n-]1 ZINC000364090836 188001300 /nfs/dbraw/zinc/00/13/00/188001300.db2.gz ACMFUKRGJIZQGZ-QUBYGPBYSA-N -1 3 238.247 0.178 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@]23CCOC3)n1 ZINC000364090836 188001301 /nfs/dbraw/zinc/00/13/01/188001301.db2.gz ACMFUKRGJIZQGZ-QUBYGPBYSA-N -1 3 238.247 0.178 20 0 BCADHM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1ccco1 ZINC000188826363 188002120 /nfs/dbraw/zinc/00/21/20/188002120.db2.gz COFZXTWMMPHYOG-UHFFFAOYSA-N -1 3 246.288 0.212 20 0 BCADHM CC(C)[C@H](NC(=O)c1c[n-]nn1)c1nncn1C ZINC000340732084 188044066 /nfs/dbraw/zinc/04/40/66/188044066.db2.gz AQWGZEZSLGWOGM-QMMMGPOBSA-N -1 3 249.278 0.060 20 0 BCADHM CC(C)[C@H](NC(=O)c1cnn[n-]1)c1nncn1C ZINC000340732084 188044068 /nfs/dbraw/zinc/04/40/68/188044068.db2.gz AQWGZEZSLGWOGM-QMMMGPOBSA-N -1 3 249.278 0.060 20 0 BCADHM CC(C)[C@H](NC(=O)c1cn[n-]n1)c1nncn1C ZINC000340732084 188044070 /nfs/dbraw/zinc/04/40/70/188044070.db2.gz AQWGZEZSLGWOGM-QMMMGPOBSA-N -1 3 249.278 0.060 20 0 BCADHM O=c1[n-]nc(CN2CCC[C@]23CCOC3)s1 ZINC000367450125 188007669 /nfs/dbraw/zinc/00/76/69/188007669.db2.gz NXNOPGBGJICTOT-SNVBAGLBSA-N -1 3 241.316 0.999 20 0 BCADHM N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)[O-] ZINC000310184846 353134644 /nfs/dbraw/zinc/13/46/44/353134644.db2.gz VFGRGTVGTOMURF-JTQLQIEISA-N -1 3 242.319 0.875 20 0 BCADHM CC(C)[C@H](C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297849655 188040974 /nfs/dbraw/zinc/04/09/74/188040974.db2.gz RVWOXFICVMZVEC-YFKPBYRVSA-N -1 3 225.252 0.134 20 0 BCADHM CC(C)[C@H](C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297849655 188040976 /nfs/dbraw/zinc/04/09/76/188040976.db2.gz RVWOXFICVMZVEC-YFKPBYRVSA-N -1 3 225.252 0.134 20 0 BCADHM CC(C)[C@H](C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297849655 188040978 /nfs/dbraw/zinc/04/09/78/188040978.db2.gz RVWOXFICVMZVEC-YFKPBYRVSA-N -1 3 225.252 0.134 20 0 BCADHM COC1(C[N-]S(=O)(=O)C2COC2)CCCC1 ZINC000333090679 188054009 /nfs/dbraw/zinc/05/40/09/188054009.db2.gz ODIBBDKTCAMTLM-UHFFFAOYSA-N -1 3 249.332 0.264 20 0 BCADHM CC(C)c1cc(NC(=O)c2cnn[n-]2)n[nH]1 ZINC000049043926 353159496 /nfs/dbraw/zinc/15/94/96/353159496.db2.gz MKKTZSDDDNMEDE-UHFFFAOYSA-N -1 3 220.236 0.904 20 0 BCADHM CC(C)c1cc(NC(=O)c2c[n-]nn2)n[nH]1 ZINC000049043926 353159498 /nfs/dbraw/zinc/15/94/98/353159498.db2.gz MKKTZSDDDNMEDE-UHFFFAOYSA-N -1 3 220.236 0.904 20 0 BCADHM CC(C)c1cc(NC(=O)c2cn[n-]n2)n[nH]1 ZINC000049043926 353159503 /nfs/dbraw/zinc/15/95/03/353159503.db2.gz MKKTZSDDDNMEDE-UHFFFAOYSA-N -1 3 220.236 0.904 20 0 BCADHM CN(C)C1(C(=O)Nc2ncccc2[O-])CC1 ZINC000613427590 363211516 /nfs/dbraw/zinc/21/15/16/363211516.db2.gz UTRMAXUUDRMAKA-UHFFFAOYSA-N -1 3 221.260 0.820 20 0 BCADHM CC(C)=CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000232622632 188253679 /nfs/dbraw/zinc/25/36/79/188253679.db2.gz FUQOKSPEEUDMAJ-UHFFFAOYSA-N -1 3 215.278 0.654 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)CC1CC1 ZINC000225905876 538114626 /nfs/dbraw/zinc/11/46/26/538114626.db2.gz YJTGMYAUIGBFBW-UHFFFAOYSA-N -1 3 228.292 0.261 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225903560 538114585 /nfs/dbraw/zinc/11/45/85/538114585.db2.gz RQZYPKWYLTYTHP-IUCAKERBSA-N -1 3 228.292 0.117 20 0 BCADHM CC(C)N1CCCN(C(=O)C(=O)[O-])CC1 ZINC000308896872 188341575 /nfs/dbraw/zinc/34/15/75/188341575.db2.gz ZTXORKPYSYBQID-UHFFFAOYSA-N -1 3 214.265 0.014 20 0 BCADHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000335251657 188345634 /nfs/dbraw/zinc/34/56/34/188345634.db2.gz OFPZMJVCYZCRFY-JGVFFNPUSA-N -1 3 229.305 0.733 20 0 BCADHM O=C(Cn1cncn1)Nc1ccc([O-])cc1F ZINC000085203844 538116006 /nfs/dbraw/zinc/11/60/06/538116006.db2.gz KXKFAFDNYLKHEZ-UHFFFAOYSA-N -1 3 236.206 0.762 20 0 BCADHM C[C@H]1C[C@H]1c1cc(NC(=O)c2nnc[n-]2)n[nH]1 ZINC000272639898 188377698 /nfs/dbraw/zinc/37/76/98/188377698.db2.gz CIBQGSNCRVKFDU-NTSWFWBYSA-N -1 3 232.247 0.904 20 0 BCADHM C[C@H]1C[C@H]1c1cc(NC(=O)c2nc[n-]n2)n[nH]1 ZINC000272639898 188377700 /nfs/dbraw/zinc/37/77/00/188377700.db2.gz CIBQGSNCRVKFDU-NTSWFWBYSA-N -1 3 232.247 0.904 20 0 BCADHM CC(C)(C)OC(=O)C[N-]C(=O)C(F)F ZINC000279011403 188382151 /nfs/dbraw/zinc/38/21/51/188382151.db2.gz LPYVMSHYYBRSAQ-UHFFFAOYSA-N -1 3 209.192 0.709 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C2(O)CCC2)n1 ZINC000280016251 188383632 /nfs/dbraw/zinc/38/36/32/188383632.db2.gz DAQUJOCLTQCIGL-UHFFFAOYSA-N -1 3 222.244 0.949 20 0 BCADHM O=C(Nc1nc(C2CC2)c[nH]1)c1cnn[n-]1 ZINC000288686457 188388342 /nfs/dbraw/zinc/38/83/42/188388342.db2.gz DCNQGXNNBBSVMY-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM O=C(Nc1nc(C2CC2)c[nH]1)c1c[n-]nn1 ZINC000288686457 188388344 /nfs/dbraw/zinc/38/83/44/188388344.db2.gz DCNQGXNNBBSVMY-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM O=C(Nc1nc(C2CC2)c[nH]1)c1cn[n-]n1 ZINC000288686457 188388345 /nfs/dbraw/zinc/38/83/45/188388345.db2.gz DCNQGXNNBBSVMY-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)Nc1ccncc1[O-] ZINC000162900463 324135248 /nfs/dbraw/zinc/13/52/48/324135248.db2.gz YXFOAEDAPOXVKU-SSDOTTSWSA-N -1 3 238.243 0.925 20 0 BCADHM Cc1nn2c(nnc2SC[C@@H](C)O)[n-]c1=O ZINC000193383995 353588409 /nfs/dbraw/zinc/58/84/09/353588409.db2.gz ZKMIWXWNVMYWLY-SCSAIBSYSA-N -1 3 241.276 0.006 20 0 BCADHM C[C@H]1COCCN1C(=O)c1cccc2[n-]nnc21 ZINC000577934756 366109512 /nfs/dbraw/zinc/10/95/12/366109512.db2.gz YBVUKTYNZNALSC-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM C[C@H]1COCCN1C(=O)c1cccc2nn[n-]c21 ZINC000577934756 366109516 /nfs/dbraw/zinc/10/95/16/366109516.db2.gz YBVUKTYNZNALSC-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM C[C@H]1COCCN1C(=O)c1cccc2n[n-]nc21 ZINC000577934756 366109520 /nfs/dbraw/zinc/10/95/20/366109520.db2.gz YBVUKTYNZNALSC-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM C[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000178488322 366129956 /nfs/dbraw/zinc/12/99/56/366129956.db2.gz OURFRMGTPBTEDS-UHFFFAOYSA-N -1 3 247.247 0.520 20 0 BCADHM Cc1ncc(CNCc2ccnn2C)c(=O)[n-]1 ZINC000344307986 354216682 /nfs/dbraw/zinc/21/66/82/354216682.db2.gz RGRAJQRTRQPBJF-UHFFFAOYSA-N -1 3 233.275 0.514 20 0 BCADHM Cc1ncc(CNCc2nccn2C)c(=O)[n-]1 ZINC000344330546 354227082 /nfs/dbraw/zinc/22/70/82/354227082.db2.gz VMLPREFNXQSVAF-UHFFFAOYSA-N -1 3 233.275 0.514 20 0 BCADHM CC(=O)N[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000335934858 134012186 /nfs/dbraw/zinc/01/21/86/134012186.db2.gz QLPDVBVFOPBXPW-ZCFIWIBFSA-N -1 3 240.234 0.994 20 0 BCADHM CC(C)OCCC(=O)Nc1ccncc1[O-] ZINC000345375177 354656093 /nfs/dbraw/zinc/65/60/93/354656093.db2.gz BZRFQRSDELRGRJ-UHFFFAOYSA-N -1 3 224.260 0.963 20 0 BCADHM CCN(CCOC)C(=O)c1csc(=O)[n-]1 ZINC000345502208 354682043 /nfs/dbraw/zinc/68/20/43/354682043.db2.gz VKYJJOFWJGXJJO-UHFFFAOYSA-N -1 3 230.289 0.957 20 0 BCADHM COc1nnc(NC(=O)c2cncc(F)c2)[n-]1 ZINC000166016383 354782278 /nfs/dbraw/zinc/78/22/78/354782278.db2.gz RDGPDTGIMBOOCQ-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COc1nc(NC(=O)c2cncc(F)c2)n[n-]1 ZINC000166016383 354782280 /nfs/dbraw/zinc/78/22/80/354782280.db2.gz RDGPDTGIMBOOCQ-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COc1n[n-]c(NC(=O)c2cncc(F)c2)n1 ZINC000166016383 354782284 /nfs/dbraw/zinc/78/22/84/354782284.db2.gz RDGPDTGIMBOOCQ-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCC(=O)NC2)n1 ZINC000345940022 354814346 /nfs/dbraw/zinc/81/43/46/354814346.db2.gz ZEUGXPTUMIDTOK-QMMMGPOBSA-N -1 3 249.270 0.560 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1C[C@@H](O)C1 ZINC000335210174 355047415 /nfs/dbraw/zinc/04/74/15/355047415.db2.gz HLARBZUWICTMIF-DTORHVGOSA-N -1 3 239.246 0.713 20 0 BCADHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000335250127 355169807 /nfs/dbraw/zinc/16/98/07/355169807.db2.gz IAWUNFFUPNELLY-DTWKUNHWSA-N -1 3 243.332 0.743 20 0 BCADHM COCC[C@@H](C)CN=c1ncnc2[nH][n-]cc1-2 ZINC000413491871 191388970 /nfs/dbraw/zinc/38/89/70/191388970.db2.gz KNROLAJGUZLHIK-MRVPVSSYSA-N -1 3 235.291 0.811 20 0 BCADHM Cn1cnc(CCN=c2ncnc3[nH][n-]cc2-3)c1 ZINC000413386811 191378601 /nfs/dbraw/zinc/37/86/01/191378601.db2.gz VQHZCIORDHIAGA-UHFFFAOYSA-N -1 3 243.274 0.115 20 0 BCADHM Cn1nncc1CNC(=O)c1ccc(O)cc1[O-] ZINC000394964971 355334224 /nfs/dbraw/zinc/33/42/24/355334224.db2.gz RZNUBOJPOWFRMG-UHFFFAOYSA-N -1 3 248.242 0.156 20 0 BCADHM COC(=O)[C@H](C)CNC(=O)c1csc(=O)[n-]1 ZINC000349468336 355386597 /nfs/dbraw/zinc/38/65/97/355386597.db2.gz QVPUGXCYGGACLC-RXMQYKEDSA-N -1 3 244.272 0.388 20 0 BCADHM CS(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000608343601 355358398 /nfs/dbraw/zinc/35/83/98/355358398.db2.gz OVSOOCINKSZRMD-UHFFFAOYSA-N -1 3 215.278 0.665 20 0 BCADHM Cn1[n-]c(CN2CC[C@H](C(C)(C)C)C2)nc1=O ZINC000335811054 355496338 /nfs/dbraw/zinc/49/63/38/355496338.db2.gz QOMKBXFVJHHUMT-VIFPVBQESA-N -1 3 238.335 0.976 20 0 BCADHM CN(Cc1cc([O-])cc(F)c1)[C@H]1CCNC1=O ZINC000335821422 355539992 /nfs/dbraw/zinc/53/99/92/355539992.db2.gz ICEQDYOALQCNTG-NSHDSACASA-N -1 3 238.262 0.852 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1nc[nH]n1 ZINC000349873289 355513973 /nfs/dbraw/zinc/51/39/73/355513973.db2.gz JMRHNKVNRYCMAC-YFKPBYRVSA-N -1 3 230.235 0.018 20 0 BCADHM O=C([O-])[C@H]1CCCN(Cc2ccno2)C1 ZINC000035084037 355797785 /nfs/dbraw/zinc/79/77/85/355797785.db2.gz SAVVFYMLSYRTQK-QMMMGPOBSA-N -1 3 210.233 0.971 20 0 BCADHM NC(=O)CCCC(=O)Nc1ccccc1[O-] ZINC000299376138 181221860 /nfs/dbraw/zinc/22/18/60/181221860.db2.gz SYHYKCMRZGFPHR-UHFFFAOYSA-N -1 3 222.244 0.986 20 0 BCADHM NC(=O)CCSc1n[n-]c(-c2ccccn2)n1 ZINC000117116362 181226209 /nfs/dbraw/zinc/22/62/09/181226209.db2.gz CRQNNUGVZIVFOZ-UHFFFAOYSA-N -1 3 249.299 0.834 20 0 BCADHM O=C(N[C@H]1Cc2cncn2C1)c1cncc([O-])c1 ZINC000623260122 356097465 /nfs/dbraw/zinc/09/74/65/356097465.db2.gz VFAYFFTXDIQMOB-VIFPVBQESA-N -1 3 244.254 0.338 20 0 BCADHM C[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335915073 356152077 /nfs/dbraw/zinc/15/20/77/356152077.db2.gz KQOZNMQCPWNSRJ-MRVPVSSYSA-N -1 3 210.281 0.340 20 0 BCADHM COc1ccc(C(=O)NC/C=C/CO)c([O-])c1 ZINC000617691594 356286759 /nfs/dbraw/zinc/28/67/59/356286759.db2.gz XSGUWYHHCLFNHO-NSCUHMNNSA-N -1 3 237.255 0.679 20 0 BCADHM CCNCC[N-]S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000420411239 192239994 /nfs/dbraw/zinc/23/99/94/192239994.db2.gz BIAUEIZEEQCJFR-LURJTMIESA-N -1 3 248.270 0.466 20 0 BCADHM NC(=O)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000052076933 181279085 /nfs/dbraw/zinc/27/90/85/181279085.db2.gz RRQNEAZSYVSDOB-SNVBAGLBSA-N -1 3 248.282 0.872 20 0 BCADHM NC(=O)[C@H]1CCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186154417 181282080 /nfs/dbraw/zinc/28/20/80/181282080.db2.gz PWBNMTFGWSNQIK-VIFPVBQESA-N -1 3 238.262 0.839 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)CC1CCCC1 ZINC000291490399 181285682 /nfs/dbraw/zinc/28/56/82/181285682.db2.gz SQTDYMSRKGRUMU-UHFFFAOYSA-N -1 3 237.263 0.422 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)CC1CCCC1 ZINC000291490399 181285685 /nfs/dbraw/zinc/28/56/85/181285685.db2.gz SQTDYMSRKGRUMU-UHFFFAOYSA-N -1 3 237.263 0.422 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)CC1CCCC1 ZINC000291490399 181285688 /nfs/dbraw/zinc/28/56/88/181285688.db2.gz SQTDYMSRKGRUMU-UHFFFAOYSA-N -1 3 237.263 0.422 20 0 BCADHM Cc1cccc([O-])c1C(=O)N(C)CCC(N)=O ZINC000627193057 363472126 /nfs/dbraw/zinc/47/21/26/363472126.db2.gz CAKSBSWGNRWKDV-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM NC(=O)c1c[nH]c(C(=O)Nc2ncccc2[O-])c1 ZINC000341900202 181286925 /nfs/dbraw/zinc/28/69/25/181286925.db2.gz KEHFFASEUIVUAG-UHFFFAOYSA-N -1 3 246.226 0.467 20 0 BCADHM C[C@@H]1CC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627213920 363509797 /nfs/dbraw/zinc/50/97/97/363509797.db2.gz TWRRZIJXBCCHML-RQJHMYQMSA-N -1 3 207.233 0.711 20 0 BCADHM Cc1cccc(CNC(=O)c2c[n-]nn2)n1 ZINC000088346535 356663277 /nfs/dbraw/zinc/66/32/77/356663277.db2.gz GSPXLKCGJOUTOI-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1cccc(CNC(=O)c2cnn[n-]2)n1 ZINC000088346535 356663279 /nfs/dbraw/zinc/66/32/79/356663279.db2.gz GSPXLKCGJOUTOI-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1cccc(CNC(=O)c2cn[n-]n2)n1 ZINC000088346535 356663282 /nfs/dbraw/zinc/66/32/82/356663282.db2.gz GSPXLKCGJOUTOI-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM CC[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1ncc[nH]1 ZINC000626483543 357047175 /nfs/dbraw/zinc/04/71/75/357047175.db2.gz FAFKGECFSBHVCI-SSDOTTSWSA-N -1 3 247.258 0.786 20 0 BCADHM O=c1[n-]c(CN[C@H]2CCC[C@@H]3C[C@@H]32)n[nH]1 ZINC000392360574 357148088 /nfs/dbraw/zinc/14/80/88/357148088.db2.gz QOTYLDMSLGJLRD-CSMHCCOUSA-N -1 3 208.265 0.789 20 0 BCADHM CNC(=O)[C@@H]1CCCN(Cc2ncccc2[O-])C1 ZINC000582387499 357121097 /nfs/dbraw/zinc/12/10/97/357121097.db2.gz ZAZKDUWHQQYMEZ-SNVBAGLBSA-N -1 3 249.314 0.745 20 0 BCADHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000393815707 357302088 /nfs/dbraw/zinc/30/20/88/357302088.db2.gz GPAASCDUYNAPBN-LURJTMIESA-N -1 3 247.345 0.582 20 0 BCADHM Cc1cnc(C)nc1Sc1n[n-]c(CO)n1 ZINC000582497377 357326633 /nfs/dbraw/zinc/32/66/33/357326633.db2.gz RYTDKLMSIBPTDK-UHFFFAOYSA-N -1 3 237.288 0.855 20 0 BCADHM COC[C@](C)(O)CNC(=O)c1ccccc1[O-] ZINC000394649426 357366456 /nfs/dbraw/zinc/36/64/56/357366456.db2.gz OHEUTVJLHBBEFE-GFCCVEGCSA-N -1 3 239.271 0.519 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2CNC(=O)C2)ccc1[O-] ZINC000230655290 357545790 /nfs/dbraw/zinc/54/57/90/357545790.db2.gz TWMDJOWGLZMELW-VIFPVBQESA-N -1 3 234.255 0.319 20 0 BCADHM O=S(=O)([N-]CC1(CO)CCC1)c1ccco1 ZINC000188824215 357591521 /nfs/dbraw/zinc/59/15/21/357591521.db2.gz KLKMWPUPACMNRE-UHFFFAOYSA-N -1 3 245.300 0.721 20 0 BCADHM O=C([O-])c1cnccc1NCC1=CCOCC1 ZINC000397641702 357618263 /nfs/dbraw/zinc/61/82/63/357618263.db2.gz CLAPCESJRFBWGA-UHFFFAOYSA-N -1 3 234.255 0.960 20 0 BCADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(N)=O ZINC000235205712 357857885 /nfs/dbraw/zinc/85/78/85/357857885.db2.gz VIDUBCMJZDJOSP-RXMQYKEDSA-N -1 3 242.662 0.649 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)[C@H](N)C1CCC1)C(=O)[O-] ZINC000398999999 357892479 /nfs/dbraw/zinc/89/24/79/357892479.db2.gz BPDIVPISTOIKBS-SFGNSQDASA-N -1 3 242.319 0.729 20 0 BCADHM C[C@H]1CN(Cc2ncccc2[O-])CC[C@@H]1O ZINC000564302998 325281844 /nfs/dbraw/zinc/28/18/44/325281844.db2.gz YGWSLTDHGPKDBL-ONGXEEELSA-N -1 3 222.288 0.990 20 0 BCADHM CC[C@@H]1CN(Cc2ncccc2[O-])C[C@H]1O ZINC000584436964 357921262 /nfs/dbraw/zinc/92/12/62/357921262.db2.gz KGGKINCZXASUMO-BXKDBHETSA-N -1 3 222.288 0.990 20 0 BCADHM CC[C@@H]1CN(Cc2ncccc2[O-])C[C@@H]1O ZINC000584436967 357921364 /nfs/dbraw/zinc/92/13/64/357921364.db2.gz KGGKINCZXASUMO-SKDRFNHKSA-N -1 3 222.288 0.990 20 0 BCADHM O=C(NCc1cc[nH]n1)c1c([O-])cccc1O ZINC000220225566 358029272 /nfs/dbraw/zinc/02/92/72/358029272.db2.gz IRWQJIKQECTMJO-UHFFFAOYSA-N -1 3 233.227 0.751 20 0 BCADHM CN(C(=O)[N-]c1cnns1)c1cnn(C)c1 ZINC000640028009 358116049 /nfs/dbraw/zinc/11/60/49/358116049.db2.gz VWEKJRRYPRDKGR-UHFFFAOYSA-N -1 3 238.276 0.940 20 0 BCADHM CCC[C@H](C)CS(=O)(=O)[N-]CC(=O)OC ZINC000172086787 134261341 /nfs/dbraw/zinc/26/13/41/134261341.db2.gz FPJBJAPIEXNVQC-QMMMGPOBSA-N -1 3 237.321 0.515 20 0 BCADHM C[C@H](C[S@@](C)=O)Nc1ccncc1C(=O)[O-] ZINC000229012233 358344269 /nfs/dbraw/zinc/34/42/69/358344269.db2.gz KMHTYXZDAGFHNC-VGDKGRGNSA-N -1 3 242.300 0.959 20 0 BCADHM CC[C@@H](C)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000227056607 358347248 /nfs/dbraw/zinc/34/72/48/358347248.db2.gz GFNVRJHYZGYAAC-BDAKNGLRSA-N -1 3 201.266 0.960 20 0 BCADHM C[S@@](=O)CCCNc1ccncc1C(=O)[O-] ZINC000229289406 358374670 /nfs/dbraw/zinc/37/46/70/358374670.db2.gz VZXOEFIMFOCEDW-MRXNPFEDSA-N -1 3 242.300 0.960 20 0 BCADHM CN1CCC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000044539302 358391268 /nfs/dbraw/zinc/39/12/68/358391268.db2.gz PCQSVQAVXJNULG-SNVBAGLBSA-N -1 3 249.314 0.859 20 0 BCADHM CS(=O)(=O)CCC(=O)Nc1ncccc1[O-] ZINC000077675336 325388172 /nfs/dbraw/zinc/38/81/72/325388172.db2.gz ZLRPWXGOSFYXSP-UHFFFAOYSA-N -1 3 244.272 0.160 20 0 BCADHM C[C@H](O)CC[N-]S(=O)(=O)c1ccccn1 ZINC000132387760 491135505 /nfs/dbraw/zinc/13/55/05/491135505.db2.gz GWFSVZLDXNMCEK-QMMMGPOBSA-N -1 3 230.289 0.131 20 0 BCADHM Cc1nc(C)c(CC(=O)N(C)C2CC2)c(=O)[n-]1 ZINC000049249186 358677956 /nfs/dbraw/zinc/67/79/56/358677956.db2.gz KTYQRICSFIJTST-UHFFFAOYSA-N -1 3 235.287 0.550 20 0 BCADHM NC(=O)c1ccc(C(=O)[N-]c2nncs2)cn1 ZINC000049423668 358689390 /nfs/dbraw/zinc/68/93/90/358689390.db2.gz NZRLTMDXXKNWAD-UHFFFAOYSA-N -1 3 249.255 0.284 20 0 BCADHM CCc1ccc([O-])c(C(=O)NCC(=O)OC)c1 ZINC000132332182 358719392 /nfs/dbraw/zinc/71/93/92/358719392.db2.gz ABBCTAOYXAXBKL-UHFFFAOYSA-N -1 3 237.255 0.857 20 0 BCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)CCO1 ZINC000219866074 134292107 /nfs/dbraw/zinc/29/21/07/134292107.db2.gz GIKVTBGVKFMUKW-HTQZYQBOSA-N -1 3 245.304 0.256 20 0 BCADHM COCCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351369214 366517634 /nfs/dbraw/zinc/51/76/34/366517634.db2.gz LDPUFWYOQZOEIZ-UHFFFAOYSA-N -1 3 222.204 0.421 20 0 BCADHM O=c1cc(-c2noc(COC(F)F)n2)nc[n-]1 ZINC000351366644 366518263 /nfs/dbraw/zinc/51/82/63/366518263.db2.gz HDVORBCDPVOLNG-UHFFFAOYSA-N -1 3 244.157 0.971 20 0 BCADHM CN(Cc1ncc[nH]1)C(=O)c1cncc([O-])c1 ZINC000071203135 359074107 /nfs/dbraw/zinc/07/41/07/359074107.db2.gz DIZULJXTIYUNSC-UHFFFAOYSA-N -1 3 232.243 0.783 20 0 BCADHM COC[C@@H](C)S(=O)(=O)[N-]Cc1cc(C)no1 ZINC000074370007 359117434 /nfs/dbraw/zinc/11/74/34/359117434.db2.gz CJSJEBYYYTUVKP-MRVPVSSYSA-N -1 3 248.304 0.437 20 0 BCADHM COC[C@H](C)S(=O)(=O)[N-]Cc1cc(C)no1 ZINC000074370002 359117563 /nfs/dbraw/zinc/11/75/63/359117563.db2.gz CJSJEBYYYTUVKP-QMMMGPOBSA-N -1 3 248.304 0.437 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C1CCC1 ZINC000632431871 359260281 /nfs/dbraw/zinc/26/02/81/359260281.db2.gz VMIWIMNXHLWZFI-UHFFFAOYSA-N -1 3 216.262 0.814 20 0 BCADHM Cc1nocc1CNC(=O)Cc1cncc([O-])c1 ZINC000633278985 359276480 /nfs/dbraw/zinc/27/64/80/359276480.db2.gz PBVVPFIZZTWKER-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM CC1(C)CN(C(=O)Cc2cncc([O-])c2)CCN1 ZINC000611892805 359473896 /nfs/dbraw/zinc/47/38/96/359473896.db2.gz UGIVZFKOJIZOPN-UHFFFAOYSA-N -1 3 249.314 0.540 20 0 BCADHM CC(=O)NCCNC(=O)c1c(C)cccc1[O-] ZINC000623454043 359476880 /nfs/dbraw/zinc/47/68/80/359476880.db2.gz QYOKMMAYIGGVTF-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM O=C(NC[C@H]1CCSC1)c1cc(=O)[n-]cn1 ZINC000626711021 359521926 /nfs/dbraw/zinc/52/19/26/359521926.db2.gz YCXDQYIBOYGKPK-SSDOTTSWSA-N -1 3 239.300 0.665 20 0 BCADHM COC(=O)CNC(=O)c1ccc(O)cc1[O-] ZINC000036816145 359677959 /nfs/dbraw/zinc/67/79/59/359677959.db2.gz OCIMFAJTNWTDMG-UHFFFAOYSA-N -1 3 225.200 0.001 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@@](C)(O)CO ZINC000626790978 359685403 /nfs/dbraw/zinc/68/54/03/359685403.db2.gz HEFYHRSETZMHMI-GFCCVEGCSA-N -1 3 239.271 0.174 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@](C)(O)CO ZINC000626790979 359685665 /nfs/dbraw/zinc/68/56/65/359685665.db2.gz HEFYHRSETZMHMI-LBPRGKRZSA-N -1 3 239.271 0.174 20 0 BCADHM O=C(N[C@H]1CCC(F)(F)C1)c1c[n-]nn1 ZINC000309087633 491144310 /nfs/dbraw/zinc/14/43/10/491144310.db2.gz ZVNBJAIYGGKBOJ-YFKPBYRVSA-N -1 3 216.191 0.722 20 0 BCADHM O=C(N[C@H]1CCC(F)(F)C1)c1cnn[n-]1 ZINC000309087633 491144311 /nfs/dbraw/zinc/14/43/11/491144311.db2.gz ZVNBJAIYGGKBOJ-YFKPBYRVSA-N -1 3 216.191 0.722 20 0 BCADHM O=C(N[C@H]1CCC(F)(F)C1)c1cn[n-]n1 ZINC000309087633 491144312 /nfs/dbraw/zinc/14/43/12/491144312.db2.gz ZVNBJAIYGGKBOJ-YFKPBYRVSA-N -1 3 216.191 0.722 20 0 BCADHM CN(CCCCO)C(=O)Cc1cncc([O-])c1 ZINC000613879720 363676260 /nfs/dbraw/zinc/67/62/60/363676260.db2.gz DXMHXQYHOMMSAQ-UHFFFAOYSA-N -1 3 238.287 0.561 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1C[C@@H]2C[C@@H]2C1 ZINC000628514631 359897283 /nfs/dbraw/zinc/89/72/83/359897283.db2.gz VEHWCUGDASBIIC-OLQVQODUSA-N -1 3 210.258 0.941 20 0 BCADHM CCN(C(=O)c1cccc2[n-]nnc21)[C@@H](C)CO ZINC000578570063 366600402 /nfs/dbraw/zinc/60/04/02/366600402.db2.gz IDMFWVAXPZKHMB-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM CCN(C(=O)c1cccc2nn[n-]c21)[C@@H](C)CO ZINC000578570063 366600407 /nfs/dbraw/zinc/60/04/07/366600407.db2.gz IDMFWVAXPZKHMB-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM CCN(C(=O)c1cccc2n[n-]nc21)[C@@H](C)CO ZINC000578570063 366600411 /nfs/dbraw/zinc/60/04/11/366600411.db2.gz IDMFWVAXPZKHMB-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1C[C@@H]2C[C@@H]2C1 ZINC000628517517 359954587 /nfs/dbraw/zinc/95/45/87/359954587.db2.gz QNXFWPOHPLJBJQ-AOOOYVTPSA-N -1 3 218.256 0.808 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C1)c1csc(=O)[n-]1 ZINC000612637970 359960070 /nfs/dbraw/zinc/96/00/70/359960070.db2.gz IFSGQRLVZUJSST-SYDPRGILSA-N -1 3 214.246 0.102 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cncc([O-])c2)CCN1C ZINC000091437554 360115778 /nfs/dbraw/zinc/11/57/78/360115778.db2.gz LKXCHDWBBHFDPD-KOLCDFICSA-N -1 3 249.314 1.000 20 0 BCADHM CC[C@H](C)CN(CC)Cc1n[nH]c(=O)[n-]1 ZINC000091589316 360120678 /nfs/dbraw/zinc/12/06/78/360120678.db2.gz PWRTTZNRCHPTCM-QMMMGPOBSA-N -1 3 212.297 0.966 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000618761435 360183082 /nfs/dbraw/zinc/18/30/82/360183082.db2.gz QHWBJOKZJLMYNJ-GXFFZTMASA-N -1 3 248.282 0.313 20 0 BCADHM CCc1nn(C)cc1CNC(=O)c1c[n-]nn1 ZINC000093018611 360211136 /nfs/dbraw/zinc/21/11/36/360211136.db2.gz KRQYXZDRVOSLSX-UHFFFAOYSA-N -1 3 234.263 0.031 20 0 BCADHM CCc1nn(C)cc1CNC(=O)c1cnn[n-]1 ZINC000093018611 360211138 /nfs/dbraw/zinc/21/11/38/360211138.db2.gz KRQYXZDRVOSLSX-UHFFFAOYSA-N -1 3 234.263 0.031 20 0 BCADHM CCc1nn(C)cc1CNC(=O)c1cn[n-]n1 ZINC000093018611 360211139 /nfs/dbraw/zinc/21/11/39/360211139.db2.gz KRQYXZDRVOSLSX-UHFFFAOYSA-N -1 3 234.263 0.031 20 0 BCADHM CCNC(=O)CN(C)Cc1nc(C)ccc1[O-] ZINC000133177906 491148032 /nfs/dbraw/zinc/14/80/32/491148032.db2.gz RGJRUDUVRPNVQD-UHFFFAOYSA-N -1 3 237.303 0.664 20 0 BCADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCNC1=O ZINC000613027249 360293663 /nfs/dbraw/zinc/29/36/63/360293663.db2.gz KFGCFZLMZLQPEG-SSDOTTSWSA-N -1 3 238.218 0.606 20 0 BCADHM O=C(Nc1cccc2c[nH]nc21)c1nc[n-]n1 ZINC000095041377 360333118 /nfs/dbraw/zinc/33/31/18/360333118.db2.gz BCDUSHKKENOOAG-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM COc1ccc(NC(=O)c2nc[n-]n2)cc1O ZINC000095041562 360333855 /nfs/dbraw/zinc/33/38/55/360333855.db2.gz GSLRFEZROKKYBY-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COC[C@H](OC)C(=O)Nc1nc(C)ccc1[O-] ZINC000614164745 363727613 /nfs/dbraw/zinc/72/76/13/363727613.db2.gz QZULXNCBHSFRNN-VIFPVBQESA-N -1 3 240.259 0.696 20 0 BCADHM COC[C@@H](OC)C(=O)Nc1nc(C)ccc1[O-] ZINC000614164737 363727572 /nfs/dbraw/zinc/72/75/72/363727572.db2.gz QZULXNCBHSFRNN-SECBINFHSA-N -1 3 240.259 0.696 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC2(C1)CCCO2 ZINC000628792027 360657693 /nfs/dbraw/zinc/65/76/93/360657693.db2.gz HRDWLSOHJJNMDN-UHFFFAOYSA-N -1 3 235.243 0.187 20 0 BCADHM O=C(N[C@@H]1COCCC1=O)c1ccccc1[O-] ZINC000628871425 360715452 /nfs/dbraw/zinc/71/54/52/360715452.db2.gz ZOXOFXHGZNGRIF-SECBINFHSA-N -1 3 235.239 0.480 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)c1ccccc1F ZINC000362399812 181313630 /nfs/dbraw/zinc/31/36/30/181313630.db2.gz CANNQKHZJMCLGP-UHFFFAOYSA-N -1 3 249.205 0.295 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)c1ccccc1F ZINC000362399812 181313632 /nfs/dbraw/zinc/31/36/32/181313632.db2.gz CANNQKHZJMCLGP-UHFFFAOYSA-N -1 3 249.205 0.295 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)c1ccccc1F ZINC000362399812 181313634 /nfs/dbraw/zinc/31/36/34/181313634.db2.gz CANNQKHZJMCLGP-UHFFFAOYSA-N -1 3 249.205 0.295 20 0 BCADHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1c[n-]nn1 ZINC000629131428 360895216 /nfs/dbraw/zinc/89/52/16/360895216.db2.gz LGBBNJAXGRIDEB-IONNQARKSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cnn[n-]1 ZINC000629131428 360895221 /nfs/dbraw/zinc/89/52/21/360895221.db2.gz LGBBNJAXGRIDEB-IONNQARKSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cn[n-]n1 ZINC000629131428 360895223 /nfs/dbraw/zinc/89/52/23/360895223.db2.gz LGBBNJAXGRIDEB-IONNQARKSA-N -1 3 222.248 0.102 20 0 BCADHM Cn1ncc2c1nc(SCCCO)[n-]c2=O ZINC000629217660 360954668 /nfs/dbraw/zinc/95/46/68/360954668.db2.gz JSVAVJQGEIWKHN-UHFFFAOYSA-N -1 3 240.288 0.543 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cnn(CCF)c1 ZINC000629319118 360994531 /nfs/dbraw/zinc/99/45/31/360994531.db2.gz XIXLMPGVZTWSNT-UHFFFAOYSA-N -1 3 236.272 0.071 20 0 BCADHM CCC[C@@H](C(=O)[O-])N1CCO[C@@](C)(COC)C1 ZINC000629378903 361027852 /nfs/dbraw/zinc/02/78/52/361027852.db2.gz KXEQWGNVCAAUFL-CMPLNLGQSA-N -1 3 245.319 0.977 20 0 BCADHM CC1(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)COC1 ZINC000634190927 361034801 /nfs/dbraw/zinc/03/48/01/361034801.db2.gz BNBIZELVNYJNHX-UHFFFAOYSA-N -1 3 249.270 0.578 20 0 BCADHM CN(C)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000614186494 363748178 /nfs/dbraw/zinc/74/81/78/363748178.db2.gz CTIJJRXRMNHLIR-UHFFFAOYSA-N -1 3 233.271 0.664 20 0 BCADHM CC(C)CO[C@@H]1CCN(CCOCC(=O)[O-])C1 ZINC000579250888 366747198 /nfs/dbraw/zinc/74/71/98/366747198.db2.gz SWWBPHJVIPVHGW-LLVKDONJSA-N -1 3 245.319 0.835 20 0 BCADHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000632627053 361388572 /nfs/dbraw/zinc/38/85/72/361388572.db2.gz AAUBUHFBCVZZQO-RQJHMYQMSA-N -1 3 215.278 0.107 20 0 BCADHM CC(C)CO[C@H]1CCN(CCOCC(=O)[O-])C1 ZINC000579250889 366745855 /nfs/dbraw/zinc/74/58/55/366745855.db2.gz SWWBPHJVIPVHGW-NSHDSACASA-N -1 3 245.319 0.835 20 0 BCADHM CCCN(CC(=O)Nc1nn[n-]n1)C(C)C ZINC000579369401 366771973 /nfs/dbraw/zinc/77/19/73/366771973.db2.gz BKSMIWLOORTJBG-UHFFFAOYSA-N -1 3 226.284 0.259 20 0 BCADHM CCCN(CC(=O)Nc1nnn[n-]1)C(C)C ZINC000579369401 366771979 /nfs/dbraw/zinc/77/19/79/366771979.db2.gz BKSMIWLOORTJBG-UHFFFAOYSA-N -1 3 226.284 0.259 20 0 BCADHM CC[C@H](C)N(C)C(=O)C(=O)[N-]c1cnns1 ZINC000429652977 201124014 /nfs/dbraw/zinc/12/40/14/201124014.db2.gz XQSHFXDSLPZNIW-LURJTMIESA-N -1 3 242.304 0.734 20 0 BCADHM CCCCNC(=O)C(=O)[N-]c1cnns1 ZINC000429680797 201125537 /nfs/dbraw/zinc/12/55/37/201125537.db2.gz AYHVBOWUKKYXGT-UHFFFAOYSA-N -1 3 228.277 0.393 20 0 BCADHM Cn1ncnc1C[S@](=O)c1ccc([O-])cc1 ZINC000434230373 201211160 /nfs/dbraw/zinc/21/11/60/201211160.db2.gz YSLJZORFTPTMGN-INIZCTEOSA-N -1 3 237.284 0.829 20 0 BCADHM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000451916835 202500108 /nfs/dbraw/zinc/50/01/08/202500108.db2.gz LRYXMUZATBVADC-IUCAKERBSA-N -1 3 243.332 0.980 20 0 BCADHM Cn1nncc1C(=O)Nc1cc(F)ccc1[O-] ZINC000436482315 201329372 /nfs/dbraw/zinc/32/93/72/201329372.db2.gz HWWSTNJOYCVADD-UHFFFAOYSA-N -1 3 236.206 0.912 20 0 BCADHM O=C(NCCN1CCC1)c1cc(F)ccc1[O-] ZINC000436489841 201330183 /nfs/dbraw/zinc/33/01/83/201330183.db2.gz GQAYFQCODDMAEZ-UHFFFAOYSA-N -1 3 238.262 0.967 20 0 BCADHM O=C(NCc1cnc[nH]1)C(=O)c1ccc([O-])cc1 ZINC000436909885 201341047 /nfs/dbraw/zinc/34/10/47/201341047.db2.gz ZURJNCXQESVUJP-UHFFFAOYSA-N -1 3 245.238 0.614 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H]1CC1(F)F ZINC000614914337 364069363 /nfs/dbraw/zinc/06/93/63/364069363.db2.gz GJWPUDMDYZETKN-ZETCQYMHSA-N -1 3 245.229 0.414 20 0 BCADHM CC(C)c1cnc(S(=O)(=O)CCCO)[n-]1 ZINC000630432826 364160173 /nfs/dbraw/zinc/16/01/73/364160173.db2.gz UFRLRJSJWRIZSS-UHFFFAOYSA-N -1 3 232.305 0.689 20 0 BCADHM CC(C)c1c[n-]c(S(=O)(=O)CCCO)n1 ZINC000630432826 364160179 /nfs/dbraw/zinc/16/01/79/364160179.db2.gz UFRLRJSJWRIZSS-UHFFFAOYSA-N -1 3 232.305 0.689 20 0 BCADHM O=C(N[C@H](CO)CCF)c1cc(F)c[n-]c1=O ZINC000622127280 370726151 /nfs/dbraw/zinc/72/61/51/370726151.db2.gz YUIULYCXODBRSH-ZETCQYMHSA-N -1 3 246.213 0.377 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@@H](C)NCC ZINC000630571993 364268690 /nfs/dbraw/zinc/26/86/90/364268690.db2.gz WDJLRBAKUFRMGV-MRVPVSSYSA-N -1 3 216.281 0.308 20 0 BCADHM CCN[C@@H](C)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000630573798 364269892 /nfs/dbraw/zinc/26/98/92/364269892.db2.gz KRQXQRIVGKFOHR-VIFPVBQESA-N -1 3 244.335 0.944 20 0 BCADHM CCN[C@H](C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000630574461 364270447 /nfs/dbraw/zinc/27/04/47/364270447.db2.gz QJLVBEWRQYETSI-NXEZZACHSA-N -1 3 244.335 0.848 20 0 BCADHM C[C@@H](C(=O)[N-]c1nnc2[nH]cnn12)C1CC1 ZINC000614990285 364279348 /nfs/dbraw/zinc/27/93/48/364279348.db2.gz AMDKXYIHHPOMRY-RXMQYKEDSA-N -1 3 220.236 0.437 20 0 BCADHM CCC[C@@H]1C[C@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614993315 364285783 /nfs/dbraw/zinc/28/57/83/364285783.db2.gz HAUUJLWPKFALKE-RNFRBKRXSA-N -1 3 234.263 0.827 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1CC1(F)F ZINC000614993328 364285805 /nfs/dbraw/zinc/28/58/05/364285805.db2.gz HKAJNUGFUZDJKJ-GSVOUGTGSA-N -1 3 228.162 0.046 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C1CC2(CC2)C1 ZINC000614993551 364287796 /nfs/dbraw/zinc/28/77/96/364287796.db2.gz IPPNTDYEWJYZMF-UHFFFAOYSA-N -1 3 232.247 0.581 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C1CC2(CCC2)C1 ZINC000614996216 364307330 /nfs/dbraw/zinc/30/73/30/364307330.db2.gz JEFZEMRTKAPYOP-UHFFFAOYSA-N -1 3 246.274 0.971 20 0 BCADHM CC(=O)NCCN(C)Cc1nc(C)ccc1[O-] ZINC000308301606 541365061 /nfs/dbraw/zinc/36/50/61/541365061.db2.gz MHLKFBUZNRWXKP-UHFFFAOYSA-N -1 3 237.303 0.664 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2COC[C@H]2O)ccc1[O-] ZINC000297055631 364788415 /nfs/dbraw/zinc/78/84/15/364788415.db2.gz UMCIWDBMZUYMIC-MWLCHTKSSA-N -1 3 237.255 0.190 20 0 BCADHM O=C([O-])[C@@H]1COCCN1C[C@@H]1CCCC[C@@H]1O ZINC000328318117 364826779 /nfs/dbraw/zinc/82/67/79/364826779.db2.gz CZFGOOJBDLWHNX-DCAQKATOSA-N -1 3 243.303 0.323 20 0 BCADHM COC[C@@H]1CN([C@@H](C(=O)[O-])C2CC2)C[C@H](C)O1 ZINC000573855458 364931719 /nfs/dbraw/zinc/93/17/19/364931719.db2.gz IIEGOLOKBUWENT-INTQDDNPSA-N -1 3 243.303 0.585 20 0 BCADHM COC[C@@H]1CN([C@H](C(=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000573855460 364931740 /nfs/dbraw/zinc/93/17/40/364931740.db2.gz IIEGOLOKBUWENT-MIMYLULJSA-N -1 3 243.303 0.585 20 0 BCADHM C[C@@H](N)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000574045604 364975153 /nfs/dbraw/zinc/97/51/53/364975153.db2.gz SPOQDVHLOKXXEE-SFYZADRCSA-N -1 3 230.308 0.729 20 0 BCADHM O=C([O-])c1cnccc1N[C@H]1CC[C@H](O)CC1 ZINC000574574843 365094079 /nfs/dbraw/zinc/09/40/79/365094079.db2.gz VDXHQJDDCDVCLG-KYZUINATSA-N -1 3 236.271 0.917 20 0 BCADHM CCN(C)CC[N-]S(=O)(=O)c1cscn1 ZINC000575056046 365181228 /nfs/dbraw/zinc/18/12/28/365181228.db2.gz QVWGIRFEILQHGI-UHFFFAOYSA-N -1 3 249.361 0.373 20 0 BCADHM CCO[C@H]1C[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000575202166 365242371 /nfs/dbraw/zinc/24/23/71/365242371.db2.gz HYXYIKDQXYEKOB-QWRGUYRKSA-N -1 3 246.270 0.865 20 0 BCADHM N[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000575331114 365293512 /nfs/dbraw/zinc/29/35/12/365293512.db2.gz KSTNAXBNLMFUIN-HBNTYKKESA-N -1 3 248.282 0.146 20 0 BCADHM C[C@H](C(=O)Nc1ncccc1[O-])n1cncn1 ZINC000172205286 365301454 /nfs/dbraw/zinc/30/14/54/365301454.db2.gz BVXGVRWCLGBHLH-SSDOTTSWSA-N -1 3 233.231 0.578 20 0 BCADHM CC(=O)NCC(=O)Nc1cc(F)ccc1[O-] ZINC000174903320 365520637 /nfs/dbraw/zinc/52/06/37/365520637.db2.gz HJKONIBEYZGBDE-UHFFFAOYSA-N -1 3 226.207 0.606 20 0 BCADHM O=S(=O)([N-]CCC1(CO)CC1)c1ccco1 ZINC000576173329 365510470 /nfs/dbraw/zinc/51/04/70/365510470.db2.gz MEQLSOLDDSJYEX-UHFFFAOYSA-N -1 3 245.300 0.721 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCC(=O)N2C)n1 ZINC000352343317 541481081 /nfs/dbraw/zinc/48/10/81/541481081.db2.gz JCJMQSLRZGRGSW-MRVPVSSYSA-N -1 3 249.270 0.655 20 0 BCADHM NCC(F)(F)CC(=O)NCc1ncccc1[O-] ZINC000579727166 366993489 /nfs/dbraw/zinc/99/34/89/366993489.db2.gz VRZSNNRCUOICTG-UHFFFAOYSA-N -1 3 245.229 0.388 20 0 BCADHM COC[C@H]1CCN1C(=O)Cc1cncc([O-])c1 ZINC000579859317 367055645 /nfs/dbraw/zinc/05/56/45/367055645.db2.gz OIFOOZIBWXDFDH-SNVBAGLBSA-N -1 3 236.271 0.577 20 0 BCADHM COC[C@@H]1CCN1C(=O)Cc1cncc([O-])c1 ZINC000579859316 367055661 /nfs/dbraw/zinc/05/56/61/367055661.db2.gz OIFOOZIBWXDFDH-JTQLQIEISA-N -1 3 236.271 0.577 20 0 BCADHM CCO[C@@H]1C[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000579904777 367068900 /nfs/dbraw/zinc/06/89/00/367068900.db2.gz SPZLCMDUZKQJRV-IYSWYEEDSA-N -1 3 228.273 0.756 20 0 BCADHM C[C@@H](CO)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000622301443 370831741 /nfs/dbraw/zinc/83/17/41/370831741.db2.gz ZIVQZCBRDYDLMV-ZETCQYMHSA-N -1 3 227.235 0.571 20 0 BCADHM Cn1cc(C(=O)C(=O)Nc2ccccc2[O-])cn1 ZINC000195146560 367343408 /nfs/dbraw/zinc/34/34/08/367343408.db2.gz WXCHALQYVFFEGQ-UHFFFAOYSA-N -1 3 245.238 0.947 20 0 BCADHM N=c1nc(N2CCSCC2)nc2[nH][n-]cc1-2 ZINC000381406742 367395441 /nfs/dbraw/zinc/39/54/41/367395441.db2.gz RQPPLXXRAKAPDU-UHFFFAOYSA-N -1 3 236.304 0.270 20 0 BCADHM CCn1c(=O)[n-]nc1SCC(C)(CO)CO ZINC000381624594 367440088 /nfs/dbraw/zinc/44/00/88/367440088.db2.gz IFZLUHNFIGHNAQ-UHFFFAOYSA-N -1 3 247.320 0.087 20 0 BCADHM CCCC[C@H](NC(=O)[C@H](C)NC1CC1)C(=O)[O-] ZINC000382939217 367571704 /nfs/dbraw/zinc/57/17/04/367571704.db2.gz IDDPSGVCWPZATC-WPRPVWTQSA-N -1 3 242.319 0.887 20 0 BCADHM CC[C@H](NC(=O)c1c([O-])cccc1O)[C@@H](C)O ZINC000387103634 368050961 /nfs/dbraw/zinc/05/09/61/368050961.db2.gz HREMGZAJQUJBAM-SFYZADRCSA-N -1 3 239.271 0.987 20 0 BCADHM C[C@H](CN(C)C(=O)[C@H]1C[C@H](C)CCN1)C(=O)[O-] ZINC000387174753 368093670 /nfs/dbraw/zinc/09/36/70/368093670.db2.gz VPESIKKAWGVZMR-OPRDCNLKSA-N -1 3 242.319 0.554 20 0 BCADHM COc1cccc(C(=O)N2CCOC2)c1[O-] ZINC000615754194 368260158 /nfs/dbraw/zinc/26/01/58/368260158.db2.gz ZBLMCEGQSJYFLH-UHFFFAOYSA-N -1 3 223.228 0.831 20 0 BCADHM CO[N-]C(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000043936066 368409266 /nfs/dbraw/zinc/40/92/66/368409266.db2.gz FZARJYCDBBLUGB-LURJTMIESA-N -1 3 243.288 0.525 20 0 BCADHM CC[C@H](O)CNC(=O)Cc1cncc([O-])c1 ZINC000566749318 326080187 /nfs/dbraw/zinc/08/01/87/326080187.db2.gz TYZSKYDMARQWCQ-VIFPVBQESA-N -1 3 224.260 0.217 20 0 BCADHM CCOC(=O)c1nnc(CNC(=O)C(C)C)[n-]1 ZINC000615917351 368658140 /nfs/dbraw/zinc/65/81/40/368658140.db2.gz LKWYLXQJRYHIHP-UHFFFAOYSA-N -1 3 240.263 0.254 20 0 BCADHM CC[C@@H](O)CNC(=O)c1cccc2nn[n-]c21 ZINC000618403757 369138306 /nfs/dbraw/zinc/13/83/06/369138306.db2.gz ZPKZJWCHSGZBHP-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM CC[C@@H](O)CNC(=O)c1cccc2[n-]nnc21 ZINC000618403757 369138311 /nfs/dbraw/zinc/13/83/11/369138311.db2.gz ZPKZJWCHSGZBHP-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM CC[C@@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC000618403757 369138316 /nfs/dbraw/zinc/13/83/16/369138316.db2.gz ZPKZJWCHSGZBHP-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM CO[C@@H]1COC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000458335324 203162985 /nfs/dbraw/zinc/16/29/85/203162985.db2.gz DHEMXYMISIGCHJ-GXSJLCMTSA-N -1 3 237.255 0.536 20 0 BCADHM Cn1[n-]nnc1=NCCN1CCCC(C)(C)C1 ZINC000572585620 326232883 /nfs/dbraw/zinc/23/28/83/326232883.db2.gz WUACUWHSNKBAKQ-UHFFFAOYSA-N -1 3 238.339 0.166 20 0 BCADHM CN1CCN(C(=O)c2ccccc2[O-])CCC1=O ZINC000619054605 369269753 /nfs/dbraw/zinc/26/97/53/369269753.db2.gz PBTWNMBJYLXXNV-UHFFFAOYSA-N -1 3 248.282 0.697 20 0 BCADHM CCn1cc(CNC(=O)c2ccccc2[O-])nn1 ZINC000404447405 369429233 /nfs/dbraw/zinc/42/92/33/369429233.db2.gz ONUZBMDWELMIBK-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM C[C@@H](Oc1ccccn1)C(=O)[N-]c1nncn1C ZINC000622512451 370974529 /nfs/dbraw/zinc/97/45/29/370974529.db2.gz JLFGUIWUXSMFSR-MRVPVSSYSA-N -1 3 247.258 0.616 20 0 BCADHM C[C@H](Oc1ccccn1)C(=O)[N-]c1nncn1C ZINC000622512452 370974747 /nfs/dbraw/zinc/97/47/47/370974747.db2.gz JLFGUIWUXSMFSR-QMMMGPOBSA-N -1 3 247.258 0.616 20 0 BCADHM O=C(Cc1cncc([O-])c1)Nc1cnns1 ZINC000622539786 370988287 /nfs/dbraw/zinc/98/82/87/370988287.db2.gz NIRZZUPPHVLIAZ-UHFFFAOYSA-N -1 3 236.256 0.820 20 0 BCADHM O=C(NC[C@@H]1CCC(=O)N1)c1cccc([O-])c1 ZINC000082282520 370980347 /nfs/dbraw/zinc/98/03/47/370980347.db2.gz WNZAYZDALXXPJA-VIFPVBQESA-N -1 3 234.255 0.401 20 0 BCADHM CCC(=O)N[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000620163372 369755111 /nfs/dbraw/zinc/75/51/11/369755111.db2.gz ZIUUASQFZLVXKJ-SSDOTTSWSA-N -1 3 237.259 0.640 20 0 BCADHM O=C(NCCCc1ccco1)c1c[n-]nn1 ZINC000620362350 369851751 /nfs/dbraw/zinc/85/17/51/369851751.db2.gz DGSDFYMIOANUOR-UHFFFAOYSA-N -1 3 220.232 0.760 20 0 BCADHM O=C(NCCCc1ccco1)c1cnn[n-]1 ZINC000620362350 369851755 /nfs/dbraw/zinc/85/17/55/369851755.db2.gz DGSDFYMIOANUOR-UHFFFAOYSA-N -1 3 220.232 0.760 20 0 BCADHM O=C(NCCCc1ccco1)c1cn[n-]n1 ZINC000620362350 369851759 /nfs/dbraw/zinc/85/17/59/369851759.db2.gz DGSDFYMIOANUOR-UHFFFAOYSA-N -1 3 220.232 0.760 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1C[C@H](O)C1 ZINC000620866040 370016959 /nfs/dbraw/zinc/01/69/59/370016959.db2.gz HLARBZUWICTMIF-KYZUINATSA-N -1 3 239.246 0.713 20 0 BCADHM CN1CCC[C@H](NC(=O)c2cncc([O-])c2)C1 ZINC000111739141 370173362 /nfs/dbraw/zinc/17/33/62/370173362.db2.gz UBBJNMKFMZBIIS-JTQLQIEISA-N -1 3 235.287 0.611 20 0 BCADHM C[C@H](CO)NC(=O)c1cc(F)c[n-]c1=O ZINC000621531707 370381275 /nfs/dbraw/zinc/38/12/75/370381275.db2.gz GTANBBHXTIYZDV-RXMQYKEDSA-N -1 3 214.196 0.037 20 0 BCADHM C[C@@H](CCO)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621923096 370601702 /nfs/dbraw/zinc/60/17/02/370601702.db2.gz BREZQSHRTCVGJO-ZETCQYMHSA-N -1 3 242.250 0.675 20 0 BCADHM CC[C@@H](CCO)NC(=O)c1cc(F)c[n-]c1=O ZINC000621926486 370603223 /nfs/dbraw/zinc/60/32/23/370603223.db2.gz KLHXBZWPBDIJKS-QMMMGPOBSA-N -1 3 242.250 0.817 20 0 BCADHM CC(C)(O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621885551 370579950 /nfs/dbraw/zinc/57/99/50/370579950.db2.gz TXTBSYPYCIHHSQ-UHFFFAOYSA-N -1 3 228.223 0.427 20 0 BCADHM C[C@H]1C[C@@H](O)CN1C(=O)c1cc(F)c[n-]c1=O ZINC000621969047 370626909 /nfs/dbraw/zinc/62/69/09/370626909.db2.gz FDPSYUGLCFRSOT-POYBYMJQSA-N -1 3 240.234 0.522 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@H](C)O ZINC000623936191 371165643 /nfs/dbraw/zinc/16/56/43/371165643.db2.gz JFZXVSWTWXOHLH-QMMMGPOBSA-N -1 3 209.245 0.811 20 0 BCADHM NC(=O)c1ccc(C(=O)[N-]c2cnoc2)nc1 ZINC000624009833 371245976 /nfs/dbraw/zinc/24/59/76/371245976.db2.gz YIJTWXGDTVJKOY-UHFFFAOYSA-N -1 3 232.199 0.421 20 0 BCADHM CC(C)[C@@](C)(CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000627394723 371599873 /nfs/dbraw/zinc/59/98/73/371599873.db2.gz PABRZGJNIRCAOI-LLVKDONJSA-N -1 3 239.275 0.319 20 0 BCADHM CC[C@@H]1CCN1C(=O)c1cc(=O)[n-]cn1 ZINC000627508950 371669117 /nfs/dbraw/zinc/66/91/17/371669117.db2.gz DYWWJGRHQVQDIC-SSDOTTSWSA-N -1 3 207.233 0.807 20 0 BCADHM CCOC1(C)CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000627565532 371713277 /nfs/dbraw/zinc/71/32/77/371713277.db2.gz UQWMTRKUCMACPA-UHFFFAOYSA-N -1 3 237.259 0.433 20 0 BCADHM CCOCC(C)(C)NC(=O)c1cc(=O)[n-]cn1 ZINC000627530944 371685398 /nfs/dbraw/zinc/68/53/98/371685398.db2.gz CGLWRZSUDZEMMD-UHFFFAOYSA-N -1 3 239.275 0.727 20 0 BCADHM C[C@H](F)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000627535466 371687825 /nfs/dbraw/zinc/68/78/25/371687825.db2.gz NWCIWIXJMIYKRS-LURJTMIESA-N -1 3 213.212 0.660 20 0 BCADHM CCC1(NC(=O)c2cc(=O)[n-]cn2)CC1 ZINC000627581293 371761229 /nfs/dbraw/zinc/76/12/29/371761229.db2.gz BUBRRJJOZLDGPH-UHFFFAOYSA-N -1 3 207.233 0.855 20 0 BCADHM CCc1ncc(CNC(=O)c2cc(=O)[n-]cn2)o1 ZINC000627661703 371819252 /nfs/dbraw/zinc/81/92/52/371819252.db2.gz JBTAGVIOTBTSCP-UHFFFAOYSA-N -1 3 248.242 0.663 20 0 BCADHM CC1(C)COC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627663266 371820816 /nfs/dbraw/zinc/82/08/16/371820816.db2.gz WYRBCMTYDZPXQL-MRVPVSSYSA-N -1 3 237.259 0.337 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc(=O)[n-]cn1 ZINC000627688066 371846332 /nfs/dbraw/zinc/84/63/32/371846332.db2.gz MMEBDYCTYHCCAJ-IUCAKERBSA-N -1 3 233.271 0.958 20 0 BCADHM C[C@@H]1CC[C@H](O)CN1C(=O)c1cc(=O)[n-]cn1 ZINC000627793621 371982657 /nfs/dbraw/zinc/98/26/57/371982657.db2.gz HSDWDVSZVMEZJB-SFYZADRCSA-N -1 3 237.259 0.168 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)CO1 ZINC000627968571 372167495 /nfs/dbraw/zinc/16/74/95/372167495.db2.gz DNZIRORYIQLSGU-RQJHMYQMSA-N -1 3 223.232 0.089 20 0 BCADHM CCC(CC)[N-]S(=O)(=O)c1nncn1C ZINC000631642432 372477013 /nfs/dbraw/zinc/47/70/13/372477013.db2.gz NLXFSTPMYVFTNM-UHFFFAOYSA-N -1 3 232.309 0.282 20 0 BCADHM CS(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000171265238 372528641 /nfs/dbraw/zinc/52/86/41/372528641.db2.gz LYZFSXJEHLWBMV-UHFFFAOYSA-N -1 3 213.262 0.726 20 0 BCADHM COCCCC[N-]S(=O)(=O)c1conc1C ZINC000631758272 372561706 /nfs/dbraw/zinc/56/17/06/372561706.db2.gz WMXXDQUTXMXVKM-UHFFFAOYSA-N -1 3 248.304 0.688 20 0 BCADHM COC[C@H](C)C[N-]S(=O)(=O)c1conc1C ZINC000631800671 372582611 /nfs/dbraw/zinc/58/26/11/372582611.db2.gz LQZVFCVOOZBTON-SSDOTTSWSA-N -1 3 248.304 0.544 20 0 BCADHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1nncn1C ZINC000631906373 372691592 /nfs/dbraw/zinc/69/15/92/372691592.db2.gz KPORXEDMRWVTMV-JGVFFNPUSA-N -1 3 244.320 0.282 20 0 BCADHM CC[C@@H](COC)[N-]S(=O)(=O)c1conc1C ZINC000631997762 372717050 /nfs/dbraw/zinc/71/70/50/372717050.db2.gz IANQUBCAPTWKGN-QMMMGPOBSA-N -1 3 248.304 0.686 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H](C)C(C)(C)O ZINC000632006187 372721936 /nfs/dbraw/zinc/72/19/36/372721936.db2.gz RFKIFWMDJUULCC-SSDOTTSWSA-N -1 3 248.304 0.421 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000632040637 372733862 /nfs/dbraw/zinc/73/38/62/372733862.db2.gz MWWVVZKCOIECTL-ZETCQYMHSA-N -1 3 248.329 0.767 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@]1(C)CCOC1 ZINC000632145906 372780941 /nfs/dbraw/zinc/78/09/41/372780941.db2.gz RTHLACULEJKYRE-SECBINFHSA-N -1 3 246.288 0.440 20 0 BCADHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1conc1C ZINC000632263465 372844292 /nfs/dbraw/zinc/84/42/92/372844292.db2.gz ZEFSZOUSKXLFEO-POYBYMJQSA-N -1 3 248.304 0.685 20 0 BCADHM O=C(C[C@@H]1CCCO1)Nc1ccncc1[O-] ZINC000358359075 182019749 /nfs/dbraw/zinc/01/97/49/182019749.db2.gz SZTXQTYSAFFTLY-QMMMGPOBSA-N -1 3 222.244 0.717 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC000632449141 372953327 /nfs/dbraw/zinc/95/33/27/372953327.db2.gz RXURDSVSXYJLJS-APPZFPTMSA-N -1 3 247.316 0.205 20 0 BCADHM O=S(=O)([N-][C@H]1C[C@@H](O)C1)c1cccs1 ZINC000632429186 372936289 /nfs/dbraw/zinc/93/62/89/372936289.db2.gz CPUXOVIMCWFTSM-KNVOCYPGSA-N -1 3 233.314 0.550 20 0 BCADHM O=S(=O)([N-][C@H]1C[C@@H](O)C1)c1ccccc1F ZINC000632430211 372938193 /nfs/dbraw/zinc/93/81/93/372938193.db2.gz HXXNLGMSYUDMEA-OCAPTIKFSA-N -1 3 245.275 0.627 20 0 BCADHM O[C@H]1CCC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000379452315 373002722 /nfs/dbraw/zinc/00/27/22/373002722.db2.gz LFNPZSGFXVFZFH-YUMQZZPRSA-N -1 3 219.248 0.052 20 0 BCADHM CC(C)(F)C[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000632608868 373029267 /nfs/dbraw/zinc/02/92/67/373029267.db2.gz JYFYBUJINLBHIL-SSDOTTSWSA-N -1 3 225.285 0.443 20 0 BCADHM CC1([N-]S(=O)(=O)CCC(F)(F)F)COC1 ZINC000632664630 373057751 /nfs/dbraw/zinc/05/77/51/373057751.db2.gz LKQFMQIWKHRJFH-UHFFFAOYSA-N -1 3 247.238 0.647 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-]C2(C)COC2)s1 ZINC000632665168 373059383 /nfs/dbraw/zinc/05/93/83/373059383.db2.gz GSJWOVBAQVRWTN-UHFFFAOYSA-N -1 3 248.329 0.519 20 0 BCADHM Cc1ccc(C[N-]S(=O)(=O)C2COC2)o1 ZINC000632682621 373066929 /nfs/dbraw/zinc/06/69/29/373066929.db2.gz KCNUTKWVYXNCGD-UHFFFAOYSA-N -1 3 231.273 0.406 20 0 BCADHM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@H]2C)cn1C ZINC000632628753 373042211 /nfs/dbraw/zinc/04/22/11/373042211.db2.gz YUJNXOVTPLUZBF-SVRRBLITSA-N -1 3 229.305 0.415 20 0 BCADHM O=S(=O)([N-][C@H]1CCC[C@@H]1O)c1ccccn1 ZINC000632700148 373079639 /nfs/dbraw/zinc/07/96/39/373079639.db2.gz MZOANVIVUSNKHP-IUCAKERBSA-N -1 3 242.300 0.273 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356550252 182085243 /nfs/dbraw/zinc/08/52/43/182085243.db2.gz OJXXJGJRCLCRGB-AVPPRXQKSA-N -1 3 234.255 0.573 20 0 BCADHM CCS(=O)(=O)[N-][C@](C)(C(=O)OC)C1CC1 ZINC000173175709 373246587 /nfs/dbraw/zinc/24/65/87/373246587.db2.gz KRZVTZFWCAYORX-VIFPVBQESA-N -1 3 235.305 0.267 20 0 BCADHM CCS(=O)(=O)[N-][C@@](C)(C(=O)OC)C1CC1 ZINC000173175722 373246637 /nfs/dbraw/zinc/24/66/37/373246637.db2.gz KRZVTZFWCAYORX-SECBINFHSA-N -1 3 235.305 0.267 20 0 BCADHM O=C(NC1CC1)c1nn[n-]c1NC(=O)C1CCC1 ZINC000297866277 182101965 /nfs/dbraw/zinc/10/19/65/182101965.db2.gz ZDEVILUIQAXHOU-UHFFFAOYSA-N -1 3 249.274 0.436 20 0 BCADHM O=C(NC1CC1)c1[n-]nnc1NC(=O)C1CCC1 ZINC000297866277 182101968 /nfs/dbraw/zinc/10/19/68/182101968.db2.gz ZDEVILUIQAXHOU-UHFFFAOYSA-N -1 3 249.274 0.436 20 0 BCADHM O=C(NC1CC1)c1n[n-]nc1NC(=O)C1CCC1 ZINC000297866277 182101971 /nfs/dbraw/zinc/10/19/71/182101971.db2.gz ZDEVILUIQAXHOU-UHFFFAOYSA-N -1 3 249.274 0.436 20 0 BCADHM O=C(CC1CSC1)[N-]c1nnc2[nH]cnn12 ZINC000633133052 373300369 /nfs/dbraw/zinc/30/03/69/373300369.db2.gz FTJPELGZHLMYEW-UHFFFAOYSA-N -1 3 238.276 0.144 20 0 BCADHM CCN1CN(C(=O)c2cccc(C)c2[O-])CC1=O ZINC000190594847 259566488 /nfs/dbraw/zinc/56/64/88/259566488.db2.gz VJSYWWDEFNENJJ-UHFFFAOYSA-N -1 3 248.282 0.962 20 0 BCADHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)[C@@H]1CC12CCC2 ZINC000633520285 373582960 /nfs/dbraw/zinc/58/29/60/373582960.db2.gz DLLZIXIWIZIGGR-QMMMGPOBSA-N -1 3 249.270 0.694 20 0 BCADHM O=C(NCCCn1ccnc1)c1cncc([O-])c1 ZINC000104410829 182179196 /nfs/dbraw/zinc/17/91/96/182179196.db2.gz UODZCUKPIJRDSC-UHFFFAOYSA-N -1 3 246.270 0.804 20 0 BCADHM O=C(NCCO)c1ccc2c(c1[O-])CCCC2 ZINC000184782342 182193708 /nfs/dbraw/zinc/19/37/08/182193708.db2.gz VKXIOWTUYRBWIT-UHFFFAOYSA-N -1 3 235.283 0.993 20 0 BCADHM O=C(NCC[C@H](O)c1ccccc1)c1c[n-]nn1 ZINC000266348516 182200034 /nfs/dbraw/zinc/20/00/34/182200034.db2.gz DRFYRPJSVPLLII-NSHDSACASA-N -1 3 246.270 0.658 20 0 BCADHM O=C(NCC[C@H](O)c1ccccc1)c1cnn[n-]1 ZINC000266348516 182200035 /nfs/dbraw/zinc/20/00/35/182200035.db2.gz DRFYRPJSVPLLII-NSHDSACASA-N -1 3 246.270 0.658 20 0 BCADHM O=C(NCC[C@H](O)c1ccccc1)c1cn[n-]n1 ZINC000266348516 182200038 /nfs/dbraw/zinc/20/00/38/182200038.db2.gz DRFYRPJSVPLLII-NSHDSACASA-N -1 3 246.270 0.658 20 0 BCADHM CC1(NC(=O)Cc2cncc([O-])c2)COC1 ZINC000634192127 374010289 /nfs/dbraw/zinc/01/02/89/374010289.db2.gz XFFZBPCPZXQYKD-UHFFFAOYSA-N -1 3 222.244 0.235 20 0 BCADHM O=C(NC[C@@H](O)C1CC1)c1ccc(O)cc1[O-] ZINC000071277670 182220429 /nfs/dbraw/zinc/22/04/29/182220429.db2.gz OODJDTKLGDRHRU-LLVKDONJSA-N -1 3 237.255 0.599 20 0 BCADHM O=C(NC[C@@H](O)C1CC1)c1ccc2n[n-]nc2c1 ZINC000071303494 182220679 /nfs/dbraw/zinc/22/06/79/182220679.db2.gz AHTBPXNAIASPDF-LLVKDONJSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(NC[C@H]1CCC[C@@H](CO)C1)c1c[n-]nn1 ZINC000310415493 182240628 /nfs/dbraw/zinc/24/06/28/182240628.db2.gz XTMWKTUHINZUIO-DTWKUNHWSA-N -1 3 238.291 0.333 20 0 BCADHM O=C(NC[C@H]1CCC[C@@H](CO)C1)c1cnn[n-]1 ZINC000310415493 182240631 /nfs/dbraw/zinc/24/06/31/182240631.db2.gz XTMWKTUHINZUIO-DTWKUNHWSA-N -1 3 238.291 0.333 20 0 BCADHM O=C(NC[C@H]1CCC[C@@H](CO)C1)c1cn[n-]n1 ZINC000310415493 182240633 /nfs/dbraw/zinc/24/06/33/182240633.db2.gz XTMWKTUHINZUIO-DTWKUNHWSA-N -1 3 238.291 0.333 20 0 BCADHM O=C(NC[C@H]1CCC[C@H](CO)C1)c1c[n-]nn1 ZINC000310415495 182241800 /nfs/dbraw/zinc/24/18/00/182241800.db2.gz XTMWKTUHINZUIO-IUCAKERBSA-N -1 3 238.291 0.333 20 0 BCADHM O=C(NC[C@H]1CCC[C@H](CO)C1)c1cnn[n-]1 ZINC000310415495 182241801 /nfs/dbraw/zinc/24/18/01/182241801.db2.gz XTMWKTUHINZUIO-IUCAKERBSA-N -1 3 238.291 0.333 20 0 BCADHM O=C(NC[C@H]1CCC[C@H](CO)C1)c1cn[n-]n1 ZINC000310415495 182241803 /nfs/dbraw/zinc/24/18/03/182241803.db2.gz XTMWKTUHINZUIO-IUCAKERBSA-N -1 3 238.291 0.333 20 0 BCADHM O=C(NC[C@H]1CCC(F)(F)C1)c1c[n-]nn1 ZINC000280631229 182235725 /nfs/dbraw/zinc/23/57/25/182235725.db2.gz AHTRSRGZKOKEEH-LURJTMIESA-N -1 3 230.218 0.970 20 0 BCADHM O=C(NC[C@H]1CCC(F)(F)C1)c1cnn[n-]1 ZINC000280631229 182235727 /nfs/dbraw/zinc/23/57/27/182235727.db2.gz AHTRSRGZKOKEEH-LURJTMIESA-N -1 3 230.218 0.970 20 0 BCADHM O=C(NC[C@H]1CCC(F)(F)C1)c1cn[n-]n1 ZINC000280631229 182235730 /nfs/dbraw/zinc/23/57/30/182235730.db2.gz AHTRSRGZKOKEEH-LURJTMIESA-N -1 3 230.218 0.970 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@@H]1CCCCO1 ZINC000331027494 182274528 /nfs/dbraw/zinc/27/45/28/182274528.db2.gz WCWFWJWNEGFXSL-NSHDSACASA-N -1 3 236.271 0.973 20 0 BCADHM O=C([N-]N1CCCCC1=O)c1cc(C2CC2)[nH]n1 ZINC000299667207 182277503 /nfs/dbraw/zinc/27/75/03/182277503.db2.gz ZEQMJASJTBXQSR-UHFFFAOYSA-N -1 3 248.286 0.944 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)c1cccnc1F ZINC000287745187 182282960 /nfs/dbraw/zinc/28/29/60/182282960.db2.gz HXPFPZWTPPXTHI-MRVPVSSYSA-N -1 3 240.234 0.919 20 0 BCADHM O=C(N[C@@H]1CCCCNC1=O)c1cccc([O-])c1 ZINC000082282540 182292597 /nfs/dbraw/zinc/29/25/97/182292597.db2.gz HDJGFJLSSJJUSE-LLVKDONJSA-N -1 3 248.282 0.791 20 0 BCADHM O=C(N[C@@H](CO)Cc1ccccc1)c1c[n-]nn1 ZINC000159074876 182287420 /nfs/dbraw/zinc/28/74/20/182287420.db2.gz FNWBBONBQPVDDC-SNVBAGLBSA-N -1 3 246.270 0.138 20 0 BCADHM O=C(N[C@@H](CO)Cc1ccccc1)c1cnn[n-]1 ZINC000159074876 182287421 /nfs/dbraw/zinc/28/74/21/182287421.db2.gz FNWBBONBQPVDDC-SNVBAGLBSA-N -1 3 246.270 0.138 20 0 BCADHM O=C(N[C@@H](CO)Cc1ccccc1)c1cn[n-]n1 ZINC000159074876 182287422 /nfs/dbraw/zinc/28/74/22/182287422.db2.gz FNWBBONBQPVDDC-SNVBAGLBSA-N -1 3 246.270 0.138 20 0 BCADHM O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1c[n-]nn1 ZINC000249257992 182320043 /nfs/dbraw/zinc/32/00/43/182320043.db2.gz YQFLLMDRZCJJSR-LKEWCRSYSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cnn[n-]1 ZINC000249257992 182320046 /nfs/dbraw/zinc/32/00/46/182320046.db2.gz YQFLLMDRZCJJSR-LKEWCRSYSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cn[n-]n1 ZINC000249257992 182320049 /nfs/dbraw/zinc/32/00/49/182320049.db2.gz YQFLLMDRZCJJSR-LKEWCRSYSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1ccc(O)cc1[O-] ZINC000333056431 182321349 /nfs/dbraw/zinc/32/13/49/182321349.db2.gz MGTYMPHJBLVSHW-JZYVYDRUSA-N -1 3 235.239 0.472 20 0 BCADHM O=C(N[C@H]1CCCSC1)c1c[n-]nn1 ZINC000129142197 182331524 /nfs/dbraw/zinc/33/15/24/182331524.db2.gz GJNQRFUSGHVFEU-LURJTMIESA-N -1 3 212.278 0.430 20 0 BCADHM O=C(N[C@H]1CCCSC1)c1cnn[n-]1 ZINC000129142197 182331525 /nfs/dbraw/zinc/33/15/25/182331525.db2.gz GJNQRFUSGHVFEU-LURJTMIESA-N -1 3 212.278 0.430 20 0 BCADHM O=C(N[C@H]1CCCSC1)c1cn[n-]n1 ZINC000129142197 182331526 /nfs/dbraw/zinc/33/15/26/182331526.db2.gz GJNQRFUSGHVFEU-LURJTMIESA-N -1 3 212.278 0.430 20 0 BCADHM O=C([O-])[C@H]1C[C@H]1C(=O)NCCN1CCCCC1 ZINC000049575068 182546606 /nfs/dbraw/zinc/54/66/06/182546606.db2.gz CJKHPOQNWOERBF-ZJUUUORDSA-N -1 3 240.303 0.309 20 0 BCADHM O=C([O-])c1occc1CN1CC[C@H](O)C1 ZINC000061710739 182598666 /nfs/dbraw/zinc/59/86/66/182598666.db2.gz OWRPHTIQYWORRQ-QMMMGPOBSA-N -1 3 211.217 0.544 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CCOC1)c1ccco1 ZINC000275528334 182896677 /nfs/dbraw/zinc/89/66/77/182896677.db2.gz WXICFMAUXVOINM-QMMMGPOBSA-N -1 3 231.273 0.594 20 0 BCADHM O=c1nc(C2CCN(Cc3c[nH]cn3)CC2)[nH][n-]1 ZINC000289444670 183009709 /nfs/dbraw/zinc/00/97/09/183009709.db2.gz OPVVCGSFQKCXQP-UHFFFAOYSA-N -1 3 248.290 0.201 20 0 BCADHM CCCN(C)C(=O)c1csc(=O)[n-]1 ZINC000308465042 169063044 /nfs/dbraw/zinc/06/30/44/169063044.db2.gz IVNYYVNIKFLLLF-UHFFFAOYSA-N -1 3 200.263 0.918 20 0 BCADHM CCCN(CCC)Cc1nc(=O)n(C)[n-]1 ZINC000353498810 169151025 /nfs/dbraw/zinc/15/10/25/169151025.db2.gz HMKGZYOMRNQELF-UHFFFAOYSA-N -1 3 212.297 0.730 20 0 BCADHM [O-]c1cc(F)cc(CN2C[C@H](O)[C@@H](O)C2)c1 ZINC000278410752 183258677 /nfs/dbraw/zinc/25/86/77/183258677.db2.gz PZRZEJMOJOFKQC-QWRGUYRKSA-N -1 3 227.235 0.069 20 0 BCADHM CCCN(CCN1CCCC1)C(=O)C(=O)[O-] ZINC000309659303 169158738 /nfs/dbraw/zinc/15/87/38/169158738.db2.gz FNYYOHHIKUDZJS-UHFFFAOYSA-N -1 3 228.292 0.405 20 0 BCADHM CCCN1CCC[C@@H]1CNC(=O)C(=O)[O-] ZINC000336770371 169196364 /nfs/dbraw/zinc/19/63/64/169196364.db2.gz WPLOHYAWGNBPJO-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM CCCNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000035206790 169225949 /nfs/dbraw/zinc/22/59/49/169225949.db2.gz RDVOVEOJRGPYKN-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM CCCNC(=O)C[N-]c1nnc(C2CC2)o1 ZINC000278362493 169230584 /nfs/dbraw/zinc/23/05/84/169230584.db2.gz KKFUJNKUPVFXGI-UHFFFAOYSA-N -1 3 224.264 0.885 20 0 BCADHM CCCNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000057785027 169218214 /nfs/dbraw/zinc/21/82/14/169218214.db2.gz JDHVZBIEPSPYFJ-UHFFFAOYSA-N -1 3 237.303 0.846 20 0 BCADHM CCC[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000123488592 169273869 /nfs/dbraw/zinc/27/38/69/169273869.db2.gz HLGLVMHPFCGPDH-UHFFFAOYSA-N -1 3 237.712 0.762 20 0 BCADHM CCCOCC(=O)[N-]c1nncn1C1CC1 ZINC000285926245 169309225 /nfs/dbraw/zinc/30/92/25/169309225.db2.gz TZLOSFFRNFHTKC-UHFFFAOYSA-N -1 3 224.264 0.978 20 0 BCADHM CCCS(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F ZINC000332487584 169332884 /nfs/dbraw/zinc/33/28/84/169332884.db2.gz PYLVSPUIPRGQMG-ZCFIWIBFSA-N -1 3 249.254 0.629 20 0 BCADHM CCCS(=O)(=O)[N-][C@H](C)c1nc(C)no1 ZINC000330448728 169333137 /nfs/dbraw/zinc/33/31/37/169333137.db2.gz ZCIAUERXINLXEO-ZCFIWIBFSA-N -1 3 233.293 0.768 20 0 BCADHM CCC[C@@H](C)CC(=O)Nc1[n-]nnc1C(N)=O ZINC000297950034 169357732 /nfs/dbraw/zinc/35/77/32/169357732.db2.gz ZYVPDGMOYCIIMY-ZCFIWIBFSA-N -1 3 239.279 0.668 20 0 BCADHM CCC[C@@H](C)CC(=O)Nc1nn[n-]c1C(N)=O ZINC000297950034 169357733 /nfs/dbraw/zinc/35/77/33/169357733.db2.gz ZYVPDGMOYCIIMY-ZCFIWIBFSA-N -1 3 239.279 0.668 20 0 BCADHM CCC[C@@H](C)CC(=O)Nc1n[n-]nc1C(N)=O ZINC000297950034 169357734 /nfs/dbraw/zinc/35/77/34/169357734.db2.gz ZYVPDGMOYCIIMY-ZCFIWIBFSA-N -1 3 239.279 0.668 20 0 BCADHM CCC[C@@H](C)N(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000264612831 169362145 /nfs/dbraw/zinc/36/21/45/169362145.db2.gz AADMQHFQMHIYFC-MRVPVSSYSA-N -1 3 241.291 0.185 20 0 BCADHM O=C(NC[C@H](O)C(F)F)c1ccc(O)cc1[O-] ZINC000227617549 259632852 /nfs/dbraw/zinc/63/28/52/259632852.db2.gz IQBGLCNTLWPMMW-QMMMGPOBSA-N -1 3 247.197 0.454 20 0 BCADHM Cc1ccc([O-])c(CNC[C@@H](O)C(F)F)n1 ZINC000226577474 134366869 /nfs/dbraw/zinc/36/68/69/134366869.db2.gz RZXYLTGIQUUVTN-SECBINFHSA-N -1 3 232.230 0.811 20 0 BCADHM CC[C@@H](CO)NC(=O)c1ccc(O)cc1[O-] ZINC000035205375 383841084 /nfs/dbraw/zinc/84/10/84/383841084.db2.gz ULUHJZFNFIZARN-ZETCQYMHSA-N -1 3 225.244 0.599 20 0 BCADHM CC[C@@H](C)[C@@H](C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000111579976 383869780 /nfs/dbraw/zinc/86/97/80/383869780.db2.gz KMJMUCZHGJXUBC-HTQZYQBOSA-N -1 3 241.291 0.089 20 0 BCADHM CCC(CC)[C@H](O)CNC(=O)c1c[n-]nn1 ZINC000111655427 383871662 /nfs/dbraw/zinc/87/16/62/383871662.db2.gz XUZUODGKRYUSQN-SECBINFHSA-N -1 3 226.280 0.332 20 0 BCADHM CCC(CC)[C@H](O)CNC(=O)c1cnn[n-]1 ZINC000111655427 383871672 /nfs/dbraw/zinc/87/16/72/383871672.db2.gz XUZUODGKRYUSQN-SECBINFHSA-N -1 3 226.280 0.332 20 0 BCADHM CCC(CC)[C@H](O)CNC(=O)c1cn[n-]n1 ZINC000111655427 383871683 /nfs/dbraw/zinc/87/16/83/383871683.db2.gz XUZUODGKRYUSQN-SECBINFHSA-N -1 3 226.280 0.332 20 0 BCADHM O=C(N=c1[nH]c2ccccc2[nH]1)c1cnn[n-]1 ZINC000047815643 383907370 /nfs/dbraw/zinc/90/73/70/383907370.db2.gz MFNCTMAHZXPXHQ-UHFFFAOYSA-N -1 3 228.215 0.355 20 0 BCADHM O=C(N=c1[nH]c2ccccc2[nH]1)c1c[n-]nn1 ZINC000047815643 383907375 /nfs/dbraw/zinc/90/73/75/383907375.db2.gz MFNCTMAHZXPXHQ-UHFFFAOYSA-N -1 3 228.215 0.355 20 0 BCADHM CCCN(CC(=O)NC)Cc1ncccc1[O-] ZINC000558401952 383984785 /nfs/dbraw/zinc/98/47/85/383984785.db2.gz XNWNBUMVCBJLFS-UHFFFAOYSA-N -1 3 237.303 0.745 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H](C)C(=O)N(C)C)n1 ZINC000112716623 383944992 /nfs/dbraw/zinc/94/49/92/383944992.db2.gz IKSOGQNGUSPVAG-VIFPVBQESA-N -1 3 237.303 0.662 20 0 BCADHM CCOc1ncccc1[N-]S(=O)(=O)N(C)C ZINC000078238280 384073970 /nfs/dbraw/zinc/07/39/70/384073970.db2.gz JMSPTERQJFJCCZ-UHFFFAOYSA-N -1 3 245.304 0.699 20 0 BCADHM CC(C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000078688814 384074783 /nfs/dbraw/zinc/07/47/83/384074783.db2.gz YDMXAPUJOUJFGA-UHFFFAOYSA-N -1 3 203.267 0.344 20 0 BCADHM C[C@@H](CO)[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000092125287 384165880 /nfs/dbraw/zinc/16/58/80/384165880.db2.gz AJHUOIWTJDJJGO-JGVFFNPUSA-N -1 3 239.271 0.845 20 0 BCADHM Cc1cnccc1NC(=O)c1cnn[n-]1 ZINC000082557156 384238029 /nfs/dbraw/zinc/23/80/29/384238029.db2.gz PWLGAVXGKOAVTF-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1cnccc1NC(=O)c1c[n-]nn1 ZINC000082557156 384238032 /nfs/dbraw/zinc/23/80/32/384238032.db2.gz PWLGAVXGKOAVTF-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1cnccc1NC(=O)c1cn[n-]n1 ZINC000082557156 384238039 /nfs/dbraw/zinc/23/80/39/384238039.db2.gz PWLGAVXGKOAVTF-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1ccc([O-])c(CN2CCNC(=O)C2(C)C)n1 ZINC000093084361 384210747 /nfs/dbraw/zinc/21/07/47/384210747.db2.gz FLZCYNWULSTLCH-UHFFFAOYSA-N -1 3 249.314 0.806 20 0 BCADHM O=C([O-])CNC(=O)CN1CCCCCC1 ZINC000033433307 384214474 /nfs/dbraw/zinc/21/44/74/384214474.db2.gz QJVYKKLNGLFACV-UHFFFAOYSA-N -1 3 214.265 0.063 20 0 BCADHM Cc1ccc([O-])c(CN(C)CC(=O)N(C)C)n1 ZINC000132121103 384216180 /nfs/dbraw/zinc/21/61/80/384216180.db2.gz DAMSCMQBYVYJCG-UHFFFAOYSA-N -1 3 237.303 0.616 20 0 BCADHM CN(C)CCNC(=O)c1cncc([O-])c1 ZINC000082303122 384222547 /nfs/dbraw/zinc/22/25/47/384222547.db2.gz VCPZKIISKUWSLY-UHFFFAOYSA-N -1 3 209.249 0.079 20 0 BCADHM C[C@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)CO1 ZINC000569571753 384268811 /nfs/dbraw/zinc/26/88/11/384268811.db2.gz PGXDZBANHLGMHU-BQBZGAKWSA-N -1 3 219.248 0.316 20 0 BCADHM CC(C)(O)CNC(=O)c1cccc([O-])c1 ZINC000083466862 384305806 /nfs/dbraw/zinc/30/58/06/384305806.db2.gz NFDMTFXDSOTDJQ-UHFFFAOYSA-N -1 3 209.245 0.893 20 0 BCADHM COC(=O)c1cnc(SC[C@H](C)O)[n-]1 ZINC000142681809 384307969 /nfs/dbraw/zinc/30/79/69/384307969.db2.gz VPVYWJZRNFULNG-YFKPBYRVSA-N -1 3 216.262 0.669 20 0 BCADHM C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)[O-] ZINC000332419246 384312010 /nfs/dbraw/zinc/31/20/10/384312010.db2.gz RINPFKBTJYQRPO-BDAKNGLRSA-N -1 3 226.276 0.156 20 0 BCADHM C[C@H](CO)C[N-]S(=O)(=O)c1cccs1 ZINC000083220186 384287194 /nfs/dbraw/zinc/28/71/94/384287194.db2.gz HSAVTFFDLRRYSC-ZETCQYMHSA-N -1 3 235.330 0.655 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)CC1(C)CC1 ZINC000560679052 384294641 /nfs/dbraw/zinc/29/46/41/384294641.db2.gz YJKXPNRINWGEMM-UHFFFAOYSA-N -1 3 237.263 0.293 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)CC1(C)CC1 ZINC000560679052 384294649 /nfs/dbraw/zinc/29/46/49/384294649.db2.gz YJKXPNRINWGEMM-UHFFFAOYSA-N -1 3 237.263 0.293 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)CC1(C)CC1 ZINC000560679052 384294655 /nfs/dbraw/zinc/29/46/55/384294655.db2.gz YJKXPNRINWGEMM-UHFFFAOYSA-N -1 3 237.263 0.293 20 0 BCADHM C[C@H](CN1CCCCCC1)NC(=O)C(=O)[O-] ZINC000083883967 384341034 /nfs/dbraw/zinc/34/10/34/384341034.db2.gz BSQISPRMEIMZQP-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM C[C@@H]1C[C@H](O)CN1C(=O)c1ccccc1[O-] ZINC000334220798 384396479 /nfs/dbraw/zinc/39/64/79/384396479.db2.gz SDTHDTGSEGPRBR-BDAKNGLRSA-N -1 3 221.256 0.988 20 0 BCADHM Cc1ccc(C(=O)N[C@H](C)CO)c([O-])c1 ZINC000035205534 384401487 /nfs/dbraw/zinc/40/14/87/384401487.db2.gz DLDDYHMLFNEBPS-MRVPVSSYSA-N -1 3 209.245 0.811 20 0 BCADHM O=C(NCCCO)c1ccc(O)cc1[O-] ZINC000035205312 384404213 /nfs/dbraw/zinc/40/42/13/384404213.db2.gz ZAMCFXOIIMONEO-UHFFFAOYSA-N -1 3 211.217 0.210 20 0 BCADHM CC(C)(CO)NC(=O)c1ccccc1[O-] ZINC000035608736 384413037 /nfs/dbraw/zinc/41/30/37/384413037.db2.gz PJOKOMHCLOVYPP-UHFFFAOYSA-N -1 3 209.245 0.893 20 0 BCADHM O=S(=O)([N-]CCO)c1ccc(F)cc1F ZINC000035610700 384413736 /nfs/dbraw/zinc/41/37/36/384413736.db2.gz HZCZBCCBMIHDKE-UHFFFAOYSA-N -1 3 237.227 0.235 20 0 BCADHM CSc1nsc(NC(=O)c2cnn[n-]2)n1 ZINC000175526978 384445997 /nfs/dbraw/zinc/44/59/97/384445997.db2.gz ZBCAXPKAINWUDF-UHFFFAOYSA-N -1 3 242.289 0.630 20 0 BCADHM CSc1nsc(NC(=O)c2c[n-]nn2)n1 ZINC000175526978 384446002 /nfs/dbraw/zinc/44/60/02/384446002.db2.gz ZBCAXPKAINWUDF-UHFFFAOYSA-N -1 3 242.289 0.630 20 0 BCADHM CSc1nsc([N-]C(=O)c2cn[nH]n2)n1 ZINC000175526978 384446006 /nfs/dbraw/zinc/44/60/06/384446006.db2.gz ZBCAXPKAINWUDF-UHFFFAOYSA-N -1 3 242.289 0.630 20 0 BCADHM CSCCCNC(=O)c1c[n-]nn1 ZINC000082730619 384438756 /nfs/dbraw/zinc/43/87/56/384438756.db2.gz KIIWOYMUFJXKLG-UHFFFAOYSA-N -1 3 200.267 0.288 20 0 BCADHM CSCCCNC(=O)c1cnn[n-]1 ZINC000082730619 384438759 /nfs/dbraw/zinc/43/87/59/384438759.db2.gz KIIWOYMUFJXKLG-UHFFFAOYSA-N -1 3 200.267 0.288 20 0 BCADHM CSCCCNC(=O)c1cn[n-]n1 ZINC000082730619 384438762 /nfs/dbraw/zinc/43/87/62/384438762.db2.gz KIIWOYMUFJXKLG-UHFFFAOYSA-N -1 3 200.267 0.288 20 0 BCADHM O=C(Nc1ncccc1[O-])c1cc[nH]n1 ZINC000048017492 384474946 /nfs/dbraw/zinc/47/49/46/384474946.db2.gz ZOVCVHLVERKLBH-UHFFFAOYSA-N -1 3 204.189 0.763 20 0 BCADHM Cn1ncc2c1CCC[C@@H]2NC(=O)c1c[n-]nn1 ZINC000048891515 384511610 /nfs/dbraw/zinc/51/16/10/384511610.db2.gz HQGJHOYFEUXDAS-QMMMGPOBSA-N -1 3 246.274 0.346 20 0 BCADHM Cn1ncc2c1CCC[C@@H]2NC(=O)c1cnn[n-]1 ZINC000048891515 384511615 /nfs/dbraw/zinc/51/16/15/384511615.db2.gz HQGJHOYFEUXDAS-QMMMGPOBSA-N -1 3 246.274 0.346 20 0 BCADHM Cn1ncc2c1CCC[C@@H]2NC(=O)c1cn[n-]n1 ZINC000048891515 384511619 /nfs/dbraw/zinc/51/16/19/384511619.db2.gz HQGJHOYFEUXDAS-QMMMGPOBSA-N -1 3 246.274 0.346 20 0 BCADHM O=S(=O)([N-][C@@H]1CCOC1)c1cccs1 ZINC000082350627 384487701 /nfs/dbraw/zinc/48/77/01/384487701.db2.gz AJENYSQTSCPAFK-SSDOTTSWSA-N -1 3 233.314 0.815 20 0 BCADHM Cc1n[nH]c(SCC(=O)[N-]OCC(C)C)n1 ZINC000123094030 384534162 /nfs/dbraw/zinc/53/41/62/384534162.db2.gz UNNPHQOLECCBIO-UHFFFAOYSA-N -1 3 244.320 0.909 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccncc1 ZINC000176051060 384535295 /nfs/dbraw/zinc/53/52/95/384535295.db2.gz IXRNONZWEOYKJS-UHFFFAOYSA-N -1 3 246.226 0.844 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cccn1C ZINC000176052225 384535679 /nfs/dbraw/zinc/53/56/79/384535679.db2.gz VQLMCXLGCHXITR-UHFFFAOYSA-N -1 3 248.242 0.787 20 0 BCADHM CCC[C@@]1(NCc2nc(=O)n(C)[n-]2)CCOC1 ZINC000556835338 384517851 /nfs/dbraw/zinc/51/78/51/384517851.db2.gz JROKYZORCHVHAK-LLVKDONJSA-N -1 3 240.307 0.157 20 0 BCADHM C[C@@H](CCO)CNC(=O)c1ccc(O)cc1[O-] ZINC000097442903 384522417 /nfs/dbraw/zinc/52/24/17/384522417.db2.gz BQPYGNZVHLENAK-QMMMGPOBSA-N -1 3 239.271 0.846 20 0 BCADHM C[C@@H](CCO)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000097444117 384522699 /nfs/dbraw/zinc/52/26/99/384522699.db2.gz HLUPCMQMTZVYDF-QMMMGPOBSA-N -1 3 248.286 0.706 20 0 BCADHM Cc1nc(C[N-]S(=O)(=O)CCC2CC2)no1 ZINC000092311591 384533423 /nfs/dbraw/zinc/53/34/23/384533423.db2.gz BLNLHTBCUOTXJJ-UHFFFAOYSA-N -1 3 245.304 0.598 20 0 BCADHM CCN(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000184242989 384583611 /nfs/dbraw/zinc/58/36/11/384583611.db2.gz HMOBRXFZJQISRP-UHFFFAOYSA-N -1 3 236.271 0.600 20 0 BCADHM CN(CC(C)(C)O)C(=O)c1ccc2n[n-]nc2c1 ZINC000081745254 384632963 /nfs/dbraw/zinc/63/29/63/384632963.db2.gz VWQGLOKSJFXRGQ-UHFFFAOYSA-N -1 3 248.286 0.801 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)C1CCOCC1 ZINC000124251545 384626659 /nfs/dbraw/zinc/62/66/59/384626659.db2.gz WCGTUPCDHSSACQ-ZETCQYMHSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)C1CCOCC1 ZINC000124251545 384626663 /nfs/dbraw/zinc/62/66/63/384626663.db2.gz WCGTUPCDHSSACQ-ZETCQYMHSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)C1CCOCC1 ZINC000124251545 384626670 /nfs/dbraw/zinc/62/66/70/384626670.db2.gz WCGTUPCDHSSACQ-ZETCQYMHSA-N -1 3 224.264 0.350 20 0 BCADHM COc1nnc(NC(=O)CN2CC[C@@H](C)C2)[n-]1 ZINC000517961444 384592907 /nfs/dbraw/zinc/59/29/07/384592907.db2.gz VSFPVWUKQDVKQI-SSDOTTSWSA-N -1 3 239.279 0.094 20 0 BCADHM COc1nc(NC(=O)CN2CC[C@@H](C)C2)n[n-]1 ZINC000517961444 384592914 /nfs/dbraw/zinc/59/29/14/384592914.db2.gz VSFPVWUKQDVKQI-SSDOTTSWSA-N -1 3 239.279 0.094 20 0 BCADHM COc1n[n-]c(NC(=O)CN2CC[C@@H](C)C2)n1 ZINC000517961444 384592920 /nfs/dbraw/zinc/59/29/20/384592920.db2.gz VSFPVWUKQDVKQI-SSDOTTSWSA-N -1 3 239.279 0.094 20 0 BCADHM Cc1cc(C(=O)NN2CCCCC2)[n-]c(=O)n1 ZINC000123893137 384594129 /nfs/dbraw/zinc/59/41/29/384594129.db2.gz WTCPXTPEQPGGEN-UHFFFAOYSA-N -1 3 236.275 0.621 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)[C@H]1CCCCO1 ZINC000272133355 384669404 /nfs/dbraw/zinc/66/94/04/384669404.db2.gz NBMCVYOUJROMFJ-VXNVDRBHSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)[C@H]1CCCCO1 ZINC000272133355 384669411 /nfs/dbraw/zinc/66/94/11/384669411.db2.gz NBMCVYOUJROMFJ-VXNVDRBHSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CCCCO1 ZINC000272133355 384669413 /nfs/dbraw/zinc/66/94/13/384669413.db2.gz NBMCVYOUJROMFJ-VXNVDRBHSA-N -1 3 224.264 0.492 20 0 BCADHM Cc1ccc(C(=O)NCCOCCO)c([O-])c1 ZINC000048150961 384673842 /nfs/dbraw/zinc/67/38/42/384673842.db2.gz REJXUIIHJJYXRB-UHFFFAOYSA-N -1 3 239.271 0.439 20 0 BCADHM CC[C@@H](C)CS(=O)(=O)[N-]Cc1noc(C)n1 ZINC000173399891 384681445 /nfs/dbraw/zinc/68/14/45/384681445.db2.gz OPTCAJQKULFESE-SSDOTTSWSA-N -1 3 247.320 0.844 20 0 BCADHM CCO[C@@H](CCNC(=O)c1c[n-]nn1)C(C)C ZINC000173565188 384691644 /nfs/dbraw/zinc/69/16/44/384691644.db2.gz ZUFBNJWDCDUIIW-JTQLQIEISA-N -1 3 240.307 0.986 20 0 BCADHM CCO[C@@H](CCNC(=O)c1cnn[n-]1)C(C)C ZINC000173565188 384691652 /nfs/dbraw/zinc/69/16/52/384691652.db2.gz ZUFBNJWDCDUIIW-JTQLQIEISA-N -1 3 240.307 0.986 20 0 BCADHM CCO[C@@H](CCNC(=O)c1cn[n-]n1)C(C)C ZINC000173565188 384691655 /nfs/dbraw/zinc/69/16/55/384691655.db2.gz ZUFBNJWDCDUIIW-JTQLQIEISA-N -1 3 240.307 0.986 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@@H](CO)C1 ZINC000051883948 384696302 /nfs/dbraw/zinc/69/63/02/384696302.db2.gz YFCYMGHDPQRKLI-SECBINFHSA-N -1 3 221.256 0.847 20 0 BCADHM CC1(C)[C@H](NC(=O)c2c[n-]nn2)[C@@H]2CCO[C@H]21 ZINC000247014554 384713495 /nfs/dbraw/zinc/71/34/95/384713495.db2.gz IXDLRFJBPLUHNC-NBEYISGCSA-N -1 3 236.275 0.348 20 0 BCADHM CC1(C)[C@H](NC(=O)c2cnn[n-]2)[C@@H]2CCO[C@H]21 ZINC000247014554 384713500 /nfs/dbraw/zinc/71/35/00/384713500.db2.gz IXDLRFJBPLUHNC-NBEYISGCSA-N -1 3 236.275 0.348 20 0 BCADHM CC1(C)[C@H](NC(=O)c2cn[n-]n2)[C@@H]2CCO[C@H]21 ZINC000247014554 384713501 /nfs/dbraw/zinc/71/35/01/384713501.db2.gz IXDLRFJBPLUHNC-NBEYISGCSA-N -1 3 236.275 0.348 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC1CC1 ZINC000024434014 384818250 /nfs/dbraw/zinc/81/82/50/384818250.db2.gz IEGLQHUQZGXKHZ-UHFFFAOYSA-N -1 3 230.289 0.980 20 0 BCADHM C[C@H](Cn1ccnc1)NC(=O)c1cncc([O-])c1 ZINC000104416634 384828477 /nfs/dbraw/zinc/82/84/77/384828477.db2.gz LKLQOQPJELBGSU-SECBINFHSA-N -1 3 246.270 0.802 20 0 BCADHM CCOC(=O)N[C@H]1CCCN(CC(=O)[O-])C1 ZINC000108176727 384782205 /nfs/dbraw/zinc/78/22/05/384782205.db2.gz FSZGEDOCOYYWEC-QMMMGPOBSA-N -1 3 230.264 0.282 20 0 BCADHM CCCn1c(=O)[n-]nc1S(=O)(=O)CC1CC1 ZINC000151804293 384797734 /nfs/dbraw/zinc/79/77/34/384797734.db2.gz HLNNZMIOOUKISH-UHFFFAOYSA-N -1 3 245.304 0.577 20 0 BCADHM C/C(Cl)=C/CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000528430797 384876299 /nfs/dbraw/zinc/87/62/99/384876299.db2.gz UXTPNSJJXWGKSY-CDETVPHDSA-N -1 3 243.694 0.365 20 0 BCADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1c[n-]nn1 ZINC000334714330 384879929 /nfs/dbraw/zinc/87/99/29/384879929.db2.gz NDZIBUFLPYZEQQ-SCZZXKLOSA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cnn[n-]1 ZINC000334714330 384879935 /nfs/dbraw/zinc/87/99/35/384879935.db2.gz NDZIBUFLPYZEQQ-SCZZXKLOSA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cn[n-]n1 ZINC000334714330 384879941 /nfs/dbraw/zinc/87/99/41/384879941.db2.gz NDZIBUFLPYZEQQ-SCZZXKLOSA-N -1 3 208.265 0.969 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC2COC2)o1 ZINC000528564737 384884595 /nfs/dbraw/zinc/88/45/95/384884595.db2.gz OEWSSWVAVFIMQS-UHFFFAOYSA-N -1 3 231.273 0.513 20 0 BCADHM CSCC[C@@H](N)C(=O)Nc1ncccc1[O-] ZINC000163648945 384838925 /nfs/dbraw/zinc/83/89/25/384838925.db2.gz FVGBSHCCJZPFPC-SSDOTTSWSA-N -1 3 241.316 0.806 20 0 BCADHM CCOC(=O)NCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000497191364 384849458 /nfs/dbraw/zinc/84/94/58/384849458.db2.gz REQKFVHEGWNICB-LURJTMIESA-N -1 3 245.304 0.340 20 0 BCADHM CNC(=O)NCC(=O)Nc1cccc([O-])c1F ZINC000536464002 384852233 /nfs/dbraw/zinc/85/22/33/384852233.db2.gz UAUBCXRGJIEABJ-UHFFFAOYSA-N -1 3 241.222 0.399 20 0 BCADHM CCCCN1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000364014502 384859620 /nfs/dbraw/zinc/85/96/20/384859620.db2.gz VAADWZYGHVLPBL-NSHDSACASA-N -1 3 244.335 0.504 20 0 BCADHM CC(C)[C@@H](NC(=O)c1ccccc1[O-])C(N)=O ZINC000107184005 384954274 /nfs/dbraw/zinc/95/42/74/384954274.db2.gz NSYXWAWCXUOONP-SNVBAGLBSA-N -1 3 236.271 0.632 20 0 BCADHM C[C@H](O)CN(C)C(=O)c1ccccc1[O-] ZINC000051817733 384906222 /nfs/dbraw/zinc/90/62/22/384906222.db2.gz LWAMZJBLZIJGND-QMMMGPOBSA-N -1 3 209.245 0.845 20 0 BCADHM Cc1csc(S(=O)(=O)[N-][C@H](C)CO)c1 ZINC000335572359 384916182 /nfs/dbraw/zinc/91/61/82/384916182.db2.gz GLVSZNYNWJRTSM-SSDOTTSWSA-N -1 3 235.330 0.716 20 0 BCADHM NC(=O)C[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000644512144 384922691 /nfs/dbraw/zinc/92/26/91/384922691.db2.gz LGOJSIZBRSSTPQ-VIFPVBQESA-N -1 3 248.282 0.730 20 0 BCADHM CCOC(=O)NCCCC(=O)[N-]OC(C)C ZINC000497268516 384929668 /nfs/dbraw/zinc/92/96/68/384929668.db2.gz JDTVSDREXDQRFX-UHFFFAOYSA-N -1 3 232.280 0.969 20 0 BCADHM CC=CC=CC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000491873341 384947738 /nfs/dbraw/zinc/94/77/38/384947738.db2.gz SOCHKYWUUUOGJL-JOWDJYSLSA-N -1 3 235.287 0.747 20 0 BCADHM CC[C@H](COC)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000565772880 384970599 /nfs/dbraw/zinc/97/05/99/384970599.db2.gz YBEYDXQDFPBTAA-MRVPVSSYSA-N -1 3 247.320 0.123 20 0 BCADHM CN1C[C@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000646921415 385062330 /nfs/dbraw/zinc/06/23/30/385062330.db2.gz AOZIFQWHWBOUOQ-UWVGGRQHSA-N -1 3 247.298 0.563 20 0 BCADHM CN1C[C@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C1 ZINC000646921417 385062425 /nfs/dbraw/zinc/06/24/25/385062425.db2.gz AOZIFQWHWBOUOQ-ZJUUUORDSA-N -1 3 247.298 0.563 20 0 BCADHM O=C([N-]c1nnc2ccccn21)c1ccon1 ZINC000128746971 385067647 /nfs/dbraw/zinc/06/76/47/385067647.db2.gz VPLTVMBDUUGMPT-UHFFFAOYSA-N -1 3 229.199 0.970 20 0 BCADHM CCO[N-]C(=O)CCc1cnn(C)c1C ZINC000128761893 385071058 /nfs/dbraw/zinc/07/10/58/385071058.db2.gz YZJHUCPXGCIDGJ-UHFFFAOYSA-N -1 3 211.265 0.729 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000060248668 385072565 /nfs/dbraw/zinc/07/25/65/385072565.db2.gz VNXVGHQAGKWGSV-MRVPVSSYSA-N -1 3 237.255 0.992 20 0 BCADHM CCC[C@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000188712560 385084906 /nfs/dbraw/zinc/08/49/06/385084906.db2.gz MMVFSGZOXAVYCC-QMMMGPOBSA-N -1 3 233.289 0.719 20 0 BCADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccco1)C(N)=O ZINC000188677664 385078785 /nfs/dbraw/zinc/07/87/85/385078785.db2.gz OKNYPLARRKQJNV-MRVPVSSYSA-N -1 3 246.288 0.068 20 0 BCADHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccco1 ZINC000188703515 385081198 /nfs/dbraw/zinc/08/11/98/385081198.db2.gz CJXPKADDZNRWKV-QMMMGPOBSA-N -1 3 233.289 0.983 20 0 BCADHM CCC[C@@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000188712581 385082867 /nfs/dbraw/zinc/08/28/67/385082867.db2.gz MMVFSGZOXAVYCC-MRVPVSSYSA-N -1 3 233.289 0.719 20 0 BCADHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000188712758 385082937 /nfs/dbraw/zinc/08/29/37/385082937.db2.gz ROGRXVFKBONXBM-DTWKUNHWSA-N -1 3 247.316 0.965 20 0 BCADHM Cn1[n-]c(CN2CCC(C3CC3)CC2)nc1=O ZINC000644720584 385138829 /nfs/dbraw/zinc/13/88/29/385138829.db2.gz YZWGQOXIWHIPPV-UHFFFAOYSA-N -1 3 236.319 0.730 20 0 BCADHM COCCCNC(=O)/C=C\c1cncc([O-])c1 ZINC000255846289 385088641 /nfs/dbraw/zinc/08/86/41/385088641.db2.gz PYTJXNMEOBGATI-ARJAWSKDSA-N -1 3 236.271 0.953 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1ccco1)c1nc[nH]n1 ZINC000188799991 385091775 /nfs/dbraw/zinc/09/17/75/385091775.db2.gz GCPYXJNLJLIQRG-LURJTMIESA-N -1 3 242.260 0.437 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc[nH]c1C ZINC000530933018 385174803 /nfs/dbraw/zinc/17/48/03/385174803.db2.gz FASZVPYEPLKGLN-SNVBAGLBSA-N -1 3 248.286 0.565 20 0 BCADHM COCCO[N-]C(=O)CCCN(C)C(=O)OC ZINC000497135819 385179067 /nfs/dbraw/zinc/17/90/67/385179067.db2.gz TWNRAYFMOIZRRG-UHFFFAOYSA-N -1 3 248.279 0.159 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000177292249 385215148 /nfs/dbraw/zinc/21/51/48/385215148.db2.gz CPBYATCNLZDWSB-SSDOTTSWSA-N -1 3 209.249 0.897 20 0 BCADHM Cc1cccc([O-])c1NC(=O)CNC(N)=O ZINC000557865930 385220207 /nfs/dbraw/zinc/22/02/07/385220207.db2.gz YFJKQYKIECOHHF-UHFFFAOYSA-N -1 3 223.232 0.307 20 0 BCADHM CC(C)=CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000190244406 385221799 /nfs/dbraw/zinc/22/17/99/385221799.db2.gz UNETWASLKCQUBR-UHFFFAOYSA-N -1 3 243.332 0.973 20 0 BCADHM CO[C@@H]1C[C@@H](NC(=O)c2c[n-]nn2)C1(C)C ZINC000227818633 385245768 /nfs/dbraw/zinc/24/57/68/385245768.db2.gz APJCCAJQBLGPGK-HTQZYQBOSA-N -1 3 224.264 0.348 20 0 BCADHM CO[C@@H]1C[C@@H](NC(=O)c2cnn[n-]2)C1(C)C ZINC000227818633 385245771 /nfs/dbraw/zinc/24/57/71/385245771.db2.gz APJCCAJQBLGPGK-HTQZYQBOSA-N -1 3 224.264 0.348 20 0 BCADHM CO[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1(C)C ZINC000227818633 385245778 /nfs/dbraw/zinc/24/57/78/385245778.db2.gz APJCCAJQBLGPGK-HTQZYQBOSA-N -1 3 224.264 0.348 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CCO[C@H](C)C2)n1 ZINC000177509914 385255600 /nfs/dbraw/zinc/25/56/00/385255600.db2.gz LOFLIDGTPLOROB-SECBINFHSA-N -1 3 237.303 0.965 20 0 BCADHM CC(=O)[N-]OCC(=O)NCc1ccc(C)cc1 ZINC000178194122 385343952 /nfs/dbraw/zinc/34/39/52/385343952.db2.gz NKSPSZUEZMTVSA-UHFFFAOYSA-N -1 3 236.271 0.679 20 0 BCADHM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1C ZINC000427902695 385349256 /nfs/dbraw/zinc/34/92/56/385349256.db2.gz OQJRZTZNAQZBIW-VHSXEESVSA-N -1 3 249.314 1.000 20 0 BCADHM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000309030813 385379182 /nfs/dbraw/zinc/37/91/82/385379182.db2.gz BLKSUJNPEIOKLF-SSDOTTSWSA-N -1 3 229.305 0.877 20 0 BCADHM C[C@@H](O)CS(=O)(=O)c1cccc([O-])c1 ZINC000193173061 385386931 /nfs/dbraw/zinc/38/69/31/385386931.db2.gz DHGWMZCMXRNSTL-SSDOTTSWSA-N -1 3 216.258 0.547 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000626195070 385456863 /nfs/dbraw/zinc/45/68/63/385456863.db2.gz NADFWCNUKWPDLR-DTORHVGOSA-N -1 3 221.256 0.954 20 0 BCADHM CCO[N-]C(=O)/C=C/c1cnn(C)c1C ZINC000156738840 385466512 /nfs/dbraw/zinc/46/65/12/385466512.db2.gz UONRKVZUMNOQLC-AATRIKPKSA-N -1 3 209.249 0.809 20 0 BCADHM Cc1cc(C(=O)N[C@]2(C)CCOC2)[n-]c(=O)n1 ZINC000156946043 385475768 /nfs/dbraw/zinc/47/57/68/385475768.db2.gz FPVXZAGQYBAOCV-LLVKDONJSA-N -1 3 237.259 0.399 20 0 BCADHM Oc1[n-]c(N2CCO[C@H]3C[C@H]32)nc2nncc1-2 ZINC000644135368 385517105 /nfs/dbraw/zinc/51/71/05/385517105.db2.gz BSRCBHSTOFNDGD-RQJHMYQMSA-N -1 3 233.231 0.036 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)C1CCCCC1 ZINC000334367376 385540969 /nfs/dbraw/zinc/54/09/69/385540969.db2.gz KLKRTWTXGYZZIJ-UHFFFAOYSA-N -1 3 224.308 0.873 20 0 BCADHM CSCCCCC(=O)[N-]OCC(N)=O ZINC000180373760 385519276 /nfs/dbraw/zinc/51/92/76/385519276.db2.gz UUNITLJAITUINF-UHFFFAOYSA-N -1 3 220.294 0.053 20 0 BCADHM C[C@H]1[C@H](NC(=O)c2cncc([O-])c2)CCCN1C ZINC000354621028 385597547 /nfs/dbraw/zinc/59/75/47/385597547.db2.gz NNPQKGMTUAJLOR-JOYOIKCWSA-N -1 3 249.314 1.000 20 0 BCADHM CCc1cc(NC(=O)c2nnc[n-]2)n(C)n1 ZINC000269531329 385604483 /nfs/dbraw/zinc/60/44/83/385604483.db2.gz JOLIDNVNXSETSI-UHFFFAOYSA-N -1 3 220.236 0.353 20 0 BCADHM CCc1cc(NC(=O)c2nc[n-]n2)n(C)n1 ZINC000269531329 385604488 /nfs/dbraw/zinc/60/44/88/385604488.db2.gz JOLIDNVNXSETSI-UHFFFAOYSA-N -1 3 220.236 0.353 20 0 BCADHM C[C@H]1C[C@@H](C(=O)Nc2ccncc2[O-])CC(=O)N1 ZINC000408161524 385580517 /nfs/dbraw/zinc/58/05/17/385580517.db2.gz NCEMGDPFYIHPPR-JGVFFNPUSA-N -1 3 249.270 0.062 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)Nc2ncccc2[O-])CC(=O)N1 ZINC000408162573 385581329 /nfs/dbraw/zinc/58/13/29/385581329.db2.gz XOAQVIQIFKGVEI-HTQZYQBOSA-N -1 3 249.270 0.640 20 0 BCADHM C[C@@H](CN=c1nn[n-]n1C)N1CCC[C@@H](C)C1 ZINC000593991547 385591951 /nfs/dbraw/zinc/59/19/51/385591951.db2.gz ZGSHTJWPWPOYTM-ZJUUUORDSA-N -1 3 238.339 0.164 20 0 BCADHM C[C@H](CN=c1nn[n-]n1C)N1CCC[C@@H](C)C1 ZINC000593991544 385592166 /nfs/dbraw/zinc/59/21/66/385592166.db2.gz ZGSHTJWPWPOYTM-NXEZZACHSA-N -1 3 238.339 0.164 20 0 BCADHM O=S(=O)([N-][C@H]1CCOC1)c1ccccn1 ZINC000340058307 385606974 /nfs/dbraw/zinc/60/69/74/385606974.db2.gz YIVFACDPWHXOEK-QMMMGPOBSA-N -1 3 228.273 0.149 20 0 BCADHM CC(C)Cn1cnc(S(=O)(=O)[N-]CCF)c1 ZINC000280803369 385608063 /nfs/dbraw/zinc/60/80/63/385608063.db2.gz SDJDEUDYBFSSSG-UHFFFAOYSA-N -1 3 249.311 0.787 20 0 BCADHM O=S(=O)([N-]CCF)c1cncc(Cl)c1 ZINC000280811318 385608173 /nfs/dbraw/zinc/60/81/73/385608173.db2.gz TXILDFLWUVVVCI-UHFFFAOYSA-N -1 3 238.671 0.983 20 0 BCADHM CCO[C@H](C)C(=O)Nc1nnc(OC)[n-]1 ZINC000183001596 385728235 /nfs/dbraw/zinc/72/82/35/385728235.db2.gz AAVHNNOCKKPSGM-RXMQYKEDSA-N -1 3 214.225 0.177 20 0 BCADHM CCO[C@H](C)C(=O)Nc1n[n-]c(OC)n1 ZINC000183001596 385728242 /nfs/dbraw/zinc/72/82/42/385728242.db2.gz AAVHNNOCKKPSGM-RXMQYKEDSA-N -1 3 214.225 0.177 20 0 BCADHM CCO[C@H](C)C(=O)Nc1nc(OC)n[n-]1 ZINC000183001596 385728247 /nfs/dbraw/zinc/72/82/47/385728247.db2.gz AAVHNNOCKKPSGM-RXMQYKEDSA-N -1 3 214.225 0.177 20 0 BCADHM CC[C@H]1CCCCN1CCNC(=O)C(=O)[O-] ZINC000309602269 385738039 /nfs/dbraw/zinc/73/80/39/385738039.db2.gz KHYAGZHQBSQCCE-VIFPVBQESA-N -1 3 228.292 0.452 20 0 BCADHM O=C([O-])C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000309613571 385742912 /nfs/dbraw/zinc/74/29/12/385742912.db2.gz NFKQLAGHSNLNRE-VIFPVBQESA-N -1 3 226.276 0.158 20 0 BCADHM CO[C@@H](C)CNc1nc2nncc-2c(O)[n-]1 ZINC000309671810 385786235 /nfs/dbraw/zinc/78/62/35/385786235.db2.gz WINYNGSFMHHJJD-YFKPBYRVSA-N -1 3 223.236 0.505 20 0 BCADHM C[C@@H](CNC(=O)c1c[n-]nn1)c1nccs1 ZINC000183600416 385776698 /nfs/dbraw/zinc/77/66/98/385776698.db2.gz BFWYOTQDDZOALG-LURJTMIESA-N -1 3 237.288 0.795 20 0 BCADHM C[C@@H](CNC(=O)c1cnn[n-]1)c1nccs1 ZINC000183600416 385776706 /nfs/dbraw/zinc/77/67/06/385776706.db2.gz BFWYOTQDDZOALG-LURJTMIESA-N -1 3 237.288 0.795 20 0 BCADHM C[C@@H](CNC(=O)c1cn[n-]n1)c1nccs1 ZINC000183600416 385776709 /nfs/dbraw/zinc/77/67/09/385776709.db2.gz BFWYOTQDDZOALG-LURJTMIESA-N -1 3 237.288 0.795 20 0 BCADHM CN(CCOCCO)Cc1cc([O-])cc(F)c1 ZINC000282713073 385780239 /nfs/dbraw/zinc/78/02/39/385780239.db2.gz KWLNOALBTGKPNU-UHFFFAOYSA-N -1 3 243.278 0.972 20 0 BCADHM C[C@@H](CC(N)=O)C(=O)Nc1ccccc1[O-] ZINC000282975604 385798642 /nfs/dbraw/zinc/79/86/42/385798642.db2.gz IWRXHFKGXFFVPN-ZETCQYMHSA-N -1 3 222.244 0.842 20 0 BCADHM Cc1ccc([O-])c(CN(C)Cc2nc[nH]n2)n1 ZINC000271180031 385799321 /nfs/dbraw/zinc/79/93/21/385799321.db2.gz KXNXHHXUEUWFOW-UHFFFAOYSA-N -1 3 233.275 0.846 20 0 BCADHM Cc1ccc([O-])c(CN(C)Cc2nnc[nH]2)n1 ZINC000271180031 385799326 /nfs/dbraw/zinc/79/93/26/385799326.db2.gz KXNXHHXUEUWFOW-UHFFFAOYSA-N -1 3 233.275 0.846 20 0 BCADHM COCCONC(=O)/C=C\c1cncc([O-])c1 ZINC000493167165 533147802 /nfs/dbraw/zinc/14/78/02/533147802.db2.gz ZLZXSDUNKVAGNL-IHWYPQMZSA-N -1 3 238.243 0.495 20 0 BCADHM C[C@H](CC(N)=O)C(=O)[N-]OCc1ccccc1 ZINC000283122277 385810717 /nfs/dbraw/zinc/81/07/17/385810717.db2.gz YVZDUPCGTYQILF-SECBINFHSA-N -1 3 236.271 0.746 20 0 BCADHM COc1cc(C(=O)N(C)[C@@H](C)CO)ccc1[O-] ZINC000283726323 385830212 /nfs/dbraw/zinc/83/02/12/385830212.db2.gz VRQFSLWYSLPNGQ-QMMMGPOBSA-N -1 3 239.271 0.854 20 0 BCADHM CN(Cc1nc(=O)[n-][nH]1)[C@@H](CO)c1ccccc1 ZINC000271607423 385842165 /nfs/dbraw/zinc/84/21/65/385842165.db2.gz JPODYDVEXAHQEH-JTQLQIEISA-N -1 3 248.286 0.263 20 0 BCADHM Cc1ccc2c(c1)CCN2Cc1nc(=O)[n-][nH]1 ZINC000271686868 385845886 /nfs/dbraw/zinc/84/58/86/385845886.db2.gz KXYODWQDOGDKIK-UHFFFAOYSA-N -1 3 230.271 0.969 20 0 BCADHM CSCCCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000122253426 385896163 /nfs/dbraw/zinc/89/61/63/385896163.db2.gz KXSNCMPUIXEMNL-UHFFFAOYSA-N -1 3 249.361 0.831 20 0 BCADHM FC(F)COc1ccc(-c2nnn[n-]2)nc1 ZINC000408502753 385865021 /nfs/dbraw/zinc/86/50/21/385865021.db2.gz UCBCZPQEUISDRV-UHFFFAOYSA-N -1 3 227.174 0.906 20 0 BCADHM O=C1CN(Cc2nc(CC3CC3)no2)C(=O)[N-]1 ZINC000355991257 385882883 /nfs/dbraw/zinc/88/28/83/385882883.db2.gz YZXYLZPFPURNIU-UHFFFAOYSA-N -1 3 236.231 0.074 20 0 BCADHM Cc1nnc([N-]C(=O)c2cnsn2)n1C ZINC000273211070 385980190 /nfs/dbraw/zinc/98/01/90/385980190.db2.gz RWVKLFCLDNLZGG-UHFFFAOYSA-N -1 3 224.249 0.227 20 0 BCADHM C[C@H]([N-]S(C)(=O)=O)c1nc(C2CC2)no1 ZINC000331794939 385984277 /nfs/dbraw/zinc/98/42/77/385984277.db2.gz QUDBYZLYXGLDQS-YFKPBYRVSA-N -1 3 231.277 0.557 20 0 BCADHM CC(C)N1CC[C@H](N(C)C(=O)C(=O)[O-])C1 ZINC000414054584 385933289 /nfs/dbraw/zinc/93/32/89/385933289.db2.gz NLBVFORUCOQZQE-QMMMGPOBSA-N -1 3 214.265 0.012 20 0 BCADHM CCCN1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)[O-] ZINC000647768500 385938735 /nfs/dbraw/zinc/93/87/35/385938735.db2.gz ALKDDWUCEOFGDY-UWVGGRQHSA-N -1 3 242.319 0.840 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)N[C@@H](CC)C(=O)[O-] ZINC000647768501 385940294 /nfs/dbraw/zinc/94/02/94/385940294.db2.gz ALKDDWUCEOFGDY-VHSXEESVSA-N -1 3 242.319 0.840 20 0 BCADHM CCO[N-]C(=O)Cc1c(C)nn(C)c1C ZINC000022875280 385950592 /nfs/dbraw/zinc/95/05/92/385950592.db2.gz MWVRXBWYLNRHIC-UHFFFAOYSA-N -1 3 211.265 0.647 20 0 BCADHM C[C@H](O)CCNC(=O)c1c([O-])cccc1O ZINC000220255757 385958688 /nfs/dbraw/zinc/95/86/88/385958688.db2.gz GTBVZSCDMIDRRQ-ZETCQYMHSA-N -1 3 225.244 0.599 20 0 BCADHM CC[C@](C)(O)CNC(=O)c1c([O-])cccc1O ZINC000220246205 385961450 /nfs/dbraw/zinc/96/14/50/385961450.db2.gz GFVGPDDMQZDXND-LBPRGKRZSA-N -1 3 239.271 0.989 20 0 BCADHM CC[C@@H](C)CS(=O)(=O)[N-]CC(F)(F)CN ZINC000336747440 385972649 /nfs/dbraw/zinc/97/26/49/385972649.db2.gz SCUYPZMWTBHCNY-SSDOTTSWSA-N -1 3 244.307 0.546 20 0 BCADHM C[C@H]([N-]S(=O)(=O)C1COC1)c1cncs1 ZINC000338424805 385999681 /nfs/dbraw/zinc/99/96/81/385999681.db2.gz MZAGFKZSJORHHF-LURJTMIESA-N -1 3 248.329 0.522 20 0 BCADHM O=S(=O)([N-]CC1(O)CCC1)c1ccco1 ZINC000335876627 386013567 /nfs/dbraw/zinc/01/35/67/386013567.db2.gz QIEAFWBSPBSWPT-UHFFFAOYSA-N -1 3 231.273 0.473 20 0 BCADHM Cn1cc(C(=O)NCc2ccoc2)c(=O)[n-]c1=O ZINC000335070518 386018857 /nfs/dbraw/zinc/01/88/57/386018857.db2.gz VCJSAZADVNXJKV-UHFFFAOYSA-N -1 3 249.226 0.009 20 0 BCADHM CC/C=C/CCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000295385648 386024148 /nfs/dbraw/zinc/02/41/48/386024148.db2.gz QMCULDJCONZBHM-VUHVRTRXSA-N -1 3 246.332 0.750 20 0 BCADHM CCO[C@H](C)C(=O)NCc1cnc(C)[n-]c1=O ZINC000345122733 386027525 /nfs/dbraw/zinc/02/75/25/386027525.db2.gz JKPRMYXBNKDPRU-SSDOTTSWSA-N -1 3 239.275 0.532 20 0 BCADHM Cc1ccc([O-])c(C(=O)N(C)C[C@H](O)CO)c1 ZINC000273935155 386052790 /nfs/dbraw/zinc/05/27/90/386052790.db2.gz WMSPYBWSVHWYMM-VIFPVBQESA-N -1 3 239.271 0.126 20 0 BCADHM COC[C@H](CO)NCc1nc(C)ccc1[O-] ZINC000234799096 386102136 /nfs/dbraw/zinc/10/21/36/386102136.db2.gz JQRJWOKRZIQFHA-VIFPVBQESA-N -1 3 226.276 0.193 20 0 BCADHM O=S(=O)(CCCCF)[N-]CC(F)F ZINC000308424726 386106552 /nfs/dbraw/zinc/10/65/52/386106552.db2.gz VTHMBNCRZHSQJX-UHFFFAOYSA-N -1 3 219.228 0.921 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3ccccc3)C[C@H]12 ZINC000334440424 386068170 /nfs/dbraw/zinc/06/81/70/386068170.db2.gz WUTGNVBXRKSZKK-LLVKDONJSA-N -1 3 245.282 0.423 20 0 BCADHM COC[C@H](CO)NC(=O)c1cc(C)ccc1[O-] ZINC000234752606 386096791 /nfs/dbraw/zinc/09/67/91/386096791.db2.gz FIJBIZBLTBHFMV-VIFPVBQESA-N -1 3 239.271 0.438 20 0 BCADHM CC(C)c1nccn1CCC(=O)Nc1nnn[n-]1 ZINC000346175559 386160921 /nfs/dbraw/zinc/16/09/21/386160921.db2.gz APQSCJIDUJDCKY-UHFFFAOYSA-N -1 3 249.278 0.548 20 0 BCADHM CC(C)c1nccn1CCC(=O)Nc1nn[n-]n1 ZINC000346175559 386160926 /nfs/dbraw/zinc/16/09/26/386160926.db2.gz APQSCJIDUJDCKY-UHFFFAOYSA-N -1 3 249.278 0.548 20 0 BCADHM CC(C)[C@@H]1CN(C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000425487172 386165621 /nfs/dbraw/zinc/16/56/21/386165621.db2.gz VOJAXEYQVVWFRC-VIFPVBQESA-N -1 3 239.323 0.282 20 0 BCADHM CCO[C@H]1C[C@H]1C(=O)Nc1nnc(SC)[n-]1 ZINC000263890817 386188555 /nfs/dbraw/zinc/18/85/55/386188555.db2.gz ZPZUFDWTQJYSEO-RITPCOANSA-N -1 3 242.304 0.890 20 0 BCADHM CCO[C@H]1C[C@H]1C(=O)Nc1nc(SC)n[n-]1 ZINC000263890817 386188560 /nfs/dbraw/zinc/18/85/60/386188560.db2.gz ZPZUFDWTQJYSEO-RITPCOANSA-N -1 3 242.304 0.890 20 0 BCADHM CCO[C@H]1C[C@H]1C(=O)Nc1n[n-]c(SC)n1 ZINC000263890817 386188567 /nfs/dbraw/zinc/18/85/67/386188567.db2.gz ZPZUFDWTQJYSEO-RITPCOANSA-N -1 3 242.304 0.890 20 0 BCADHM O=S(=O)([N-]CC1=CCCOC1)c1ccco1 ZINC000287487752 386126433 /nfs/dbraw/zinc/12/64/33/386126433.db2.gz QVHWVOCVZZCGLD-UHFFFAOYSA-N -1 3 243.284 0.905 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000643316442 386204944 /nfs/dbraw/zinc/20/49/44/386204944.db2.gz WXYDPHKITZXZSR-FSDSQADBSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000643316442 386204951 /nfs/dbraw/zinc/20/49/51/386204951.db2.gz WXYDPHKITZXZSR-FSDSQADBSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000643316442 386204959 /nfs/dbraw/zinc/20/49/59/386204959.db2.gz WXYDPHKITZXZSR-FSDSQADBSA-N -1 3 249.274 0.278 20 0 BCADHM O=S(=O)([N-]C[C@H]1CCC[C@@H]1O)c1ccco1 ZINC000275503417 386216257 /nfs/dbraw/zinc/21/62/57/386216257.db2.gz RHUQZGBBOQNDJP-BDAKNGLRSA-N -1 3 245.300 0.719 20 0 BCADHM CCC[C@H](N)C(=O)Nc1ncccc1[O-] ZINC000125057814 386217232 /nfs/dbraw/zinc/21/72/32/386217232.db2.gz YSDAFRPMDNBFKQ-ZETCQYMHSA-N -1 3 209.249 0.853 20 0 BCADHM O=S(=O)([N-]C1CCSCC1)c1c[nH]cn1 ZINC000125100906 386225539 /nfs/dbraw/zinc/22/55/39/386225539.db2.gz OSYVNXAPNNAVQJ-UHFFFAOYSA-N -1 3 247.345 0.584 20 0 BCADHM COC(=O)CCCON=C([O-])Nc1ccon1 ZINC000288740903 386229485 /nfs/dbraw/zinc/22/94/85/386229485.db2.gz GHXSOGXHRIRCKO-UHFFFAOYSA-N -1 3 243.219 0.681 20 0 BCADHM COC(=O)CCCO[N-]C(=O)Nc1ccon1 ZINC000288740903 386229493 /nfs/dbraw/zinc/22/94/93/386229493.db2.gz GHXSOGXHRIRCKO-UHFFFAOYSA-N -1 3 243.219 0.681 20 0 BCADHM Cc1cc(C(=O)N2CC(C)(O)C2)ccc1[O-] ZINC000235816632 386192413 /nfs/dbraw/zinc/19/24/13/386192413.db2.gz SRLYFESBAPDYMM-UHFFFAOYSA-N -1 3 221.256 0.907 20 0 BCADHM CC[C@H]1CC[C@H](C(=O)[N-]c2nncn2C)O1 ZINC000275209178 386193853 /nfs/dbraw/zinc/19/38/53/386193853.db2.gz OOVVLQFRKKDJKP-JGVFFNPUSA-N -1 3 224.264 0.711 20 0 BCADHM COC1(C(=O)[N-]c2nncn2C)CCC1 ZINC000275207625 386194747 /nfs/dbraw/zinc/19/47/47/386194747.db2.gz OHAJATNPTLRBSD-UHFFFAOYSA-N -1 3 210.237 0.323 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1ccc(C(N)=O)o1 ZINC000289098621 386259314 /nfs/dbraw/zinc/25/93/14/386259314.db2.gz DEXHJUUOPNEVQZ-UHFFFAOYSA-N -1 3 232.186 0.650 20 0 BCADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000297834384 386281128 /nfs/dbraw/zinc/28/11/28/386281128.db2.gz QVVGRGDQXIQHIQ-PHDIDXHHSA-N -1 3 237.263 0.134 20 0 BCADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000297834384 386281133 /nfs/dbraw/zinc/28/11/33/386281133.db2.gz QVVGRGDQXIQHIQ-PHDIDXHHSA-N -1 3 237.263 0.134 20 0 BCADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000297834384 386281141 /nfs/dbraw/zinc/28/11/41/386281141.db2.gz QVVGRGDQXIQHIQ-PHDIDXHHSA-N -1 3 237.263 0.134 20 0 BCADHM C[C@@H](NC(N)=O)C(=O)Nc1cc(F)ccc1[O-] ZINC000340314493 386295617 /nfs/dbraw/zinc/29/56/17/386295617.db2.gz BPDBUSQZDLFNRY-RXMQYKEDSA-N -1 3 241.222 0.527 20 0 BCADHM CS(=O)(=O)CC(=O)Nc1cc(F)ccc1[O-] ZINC000340314462 386295896 /nfs/dbraw/zinc/29/58/96/386295896.db2.gz BCJAKUBIWFMGON-UHFFFAOYSA-N -1 3 247.247 0.514 20 0 BCADHM C[C@H](C(=O)Nc1ncccc1[O-])S(C)(=O)=O ZINC000265199067 386315722 /nfs/dbraw/zinc/31/57/22/386315722.db2.gz PKHDHCSTKUBBSB-ZCFIWIBFSA-N -1 3 244.272 0.159 20 0 BCADHM CC[C@@H](C)CCC(=O)Nc1[n-]nnc1C(N)=O ZINC000297642066 386270746 /nfs/dbraw/zinc/27/07/46/386270746.db2.gz DKJAYILMLSQVTM-ZCFIWIBFSA-N -1 3 239.279 0.668 20 0 BCADHM CC[C@@H](C)CCC(=O)Nc1nn[n-]c1C(N)=O ZINC000297642066 386270750 /nfs/dbraw/zinc/27/07/50/386270750.db2.gz DKJAYILMLSQVTM-ZCFIWIBFSA-N -1 3 239.279 0.668 20 0 BCADHM CC[C@@H](C)CCC(=O)Nc1n[n-]nc1C(N)=O ZINC000297642066 386270752 /nfs/dbraw/zinc/27/07/52/386270752.db2.gz DKJAYILMLSQVTM-ZCFIWIBFSA-N -1 3 239.279 0.668 20 0 BCADHM Cn1nccc1CNC1(C(=O)[O-])CCC1 ZINC000417559693 386386441 /nfs/dbraw/zinc/38/64/41/386386441.db2.gz ACZKPSPGJCSFEO-UHFFFAOYSA-N -1 3 209.249 0.517 20 0 BCADHM Cn1cc(C(=O)NCC2CCC2)c(=O)[n-]c1=O ZINC000298613705 386362100 /nfs/dbraw/zinc/36/21/00/386362100.db2.gz LLSCXXFGYSQOAG-UHFFFAOYSA-N -1 3 237.259 0.016 20 0 BCADHM CC(C)=CCNC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000276689802 386365127 /nfs/dbraw/zinc/36/51/27/386365127.db2.gz KCSAFMMFOPBDFX-UHFFFAOYSA-N -1 3 237.259 0.182 20 0 BCADHM COC(=O)CC[N-]C(=O)C(F)(F)C(F)F ZINC000226602484 386440667 /nfs/dbraw/zinc/44/06/67/386440667.db2.gz UVJIMRPIUYOGRC-UHFFFAOYSA-N -1 3 231.145 0.566 20 0 BCADHM CN(C)c1cccnc1CNC(=O)c1c[n-]nn1 ZINC000290530255 386450150 /nfs/dbraw/zinc/45/01/50/386450150.db2.gz KRQIGGGKUITZSY-UHFFFAOYSA-N -1 3 246.274 0.196 20 0 BCADHM CN(C)c1cccnc1CNC(=O)c1cnn[n-]1 ZINC000290530255 386450157 /nfs/dbraw/zinc/45/01/57/386450157.db2.gz KRQIGGGKUITZSY-UHFFFAOYSA-N -1 3 246.274 0.196 20 0 BCADHM CN(C)c1cccnc1CNC(=O)c1cn[n-]n1 ZINC000290530255 386450159 /nfs/dbraw/zinc/45/01/59/386450159.db2.gz KRQIGGGKUITZSY-UHFFFAOYSA-N -1 3 246.274 0.196 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccon1 ZINC000347403484 386388368 /nfs/dbraw/zinc/38/83/68/386388368.db2.gz VWSFPMRGGLDKBP-ZCFIWIBFSA-N -1 3 230.231 0.888 20 0 BCADHM CO[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000266148203 386403283 /nfs/dbraw/zinc/40/32/83/386403283.db2.gz MVRNMDMMWLXECK-IONNQARKSA-N -1 3 224.264 0.492 20 0 BCADHM CO[C@@H]1CCCC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000266148203 386403287 /nfs/dbraw/zinc/40/32/87/386403287.db2.gz MVRNMDMMWLXECK-IONNQARKSA-N -1 3 224.264 0.492 20 0 BCADHM CO[C@@H]1CCCC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000266148203 386403290 /nfs/dbraw/zinc/40/32/90/386403290.db2.gz MVRNMDMMWLXECK-IONNQARKSA-N -1 3 224.264 0.492 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@@H](O)C[C@@H]2C)n1 ZINC000336720096 386451676 /nfs/dbraw/zinc/45/16/76/386451676.db2.gz YAOFEFSUYGOJTP-WPRPVWTQSA-N -1 3 237.303 0.700 20 0 BCADHM CC(C)C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000347467173 386414702 /nfs/dbraw/zinc/41/47/02/386414702.db2.gz PZSHHIXGWDMYFB-SNVBAGLBSA-N -1 3 238.335 0.976 20 0 BCADHM Cc1cnc(C(=O)N2CC[C@H](N(C)C)C2)c([O-])c1 ZINC000408368827 386425666 /nfs/dbraw/zinc/42/56/66/386425666.db2.gz NWAMHBUNNSWNCS-JTQLQIEISA-N -1 3 249.314 0.872 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCSC2)c1 ZINC000266346119 386428511 /nfs/dbraw/zinc/42/85/11/386428511.db2.gz WHTSPPGGYUIPNK-SSDOTTSWSA-N -1 3 247.345 0.204 20 0 BCADHM CCN(CC)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000059534500 386484292 /nfs/dbraw/zinc/48/42/92/386484292.db2.gz KTBFNTRPDPXWAS-JTQLQIEISA-N -1 3 230.308 0.554 20 0 BCADHM COC[C@@H](O)CCNC(=O)c1cccc([O-])c1 ZINC000227687643 386502087 /nfs/dbraw/zinc/50/20/87/386502087.db2.gz AEQNCVMKTHPOQO-NSHDSACASA-N -1 3 239.271 0.519 20 0 BCADHM Cn1nc(NC(=O)c2nnc[n-]2)cc1C1CC1 ZINC000291031566 386502744 /nfs/dbraw/zinc/50/27/44/386502744.db2.gz WDPXRBQWUJHOHV-UHFFFAOYSA-N -1 3 232.247 0.668 20 0 BCADHM Cn1nc(NC(=O)c2nc[n-]n2)cc1C1CC1 ZINC000291031566 386502751 /nfs/dbraw/zinc/50/27/51/386502751.db2.gz WDPXRBQWUJHOHV-UHFFFAOYSA-N -1 3 232.247 0.668 20 0 BCADHM COC(=O)C[C@@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000267229867 386515949 /nfs/dbraw/zinc/51/59/49/386515949.db2.gz YZQJYHYPMZTDPD-SCSAIBSYSA-N -1 3 245.172 0.955 20 0 BCADHM CO[C@H](C)[C@@H](C)Nc1nc2nncc-2c(O)[n-]1 ZINC000290617381 386459434 /nfs/dbraw/zinc/45/94/34/386459434.db2.gz GCDVMOGDIHANMB-PHDIDXHHSA-N -1 3 237.263 0.894 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC(O)(C(F)F)C1 ZINC000335413092 386578490 /nfs/dbraw/zinc/57/84/90/386578490.db2.gz KFNORTBEIZPBFF-UHFFFAOYSA-N -1 3 243.209 0.844 20 0 BCADHM CO[C@@H](C)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267844979 386590044 /nfs/dbraw/zinc/59/00/44/386590044.db2.gz CHBWQOCFVDDZAW-YFKPBYRVSA-N -1 3 227.220 0.170 20 0 BCADHM C[C@H](O)CCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000228641518 386594319 /nfs/dbraw/zinc/59/43/19/386594319.db2.gz MCFGUNQFHCVLOZ-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CC23CC3)n[n-]1 ZINC000643340186 386532138 /nfs/dbraw/zinc/53/21/38/386532138.db2.gz WYAQPAUAKZUCDE-YFKPBYRVSA-N -1 3 208.221 0.552 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CC23CC3)[n-]1 ZINC000643340186 386532143 /nfs/dbraw/zinc/53/21/43/386532143.db2.gz WYAQPAUAKZUCDE-YFKPBYRVSA-N -1 3 208.221 0.552 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CC23CC3)n1 ZINC000643340186 386532148 /nfs/dbraw/zinc/53/21/48/386532148.db2.gz WYAQPAUAKZUCDE-YFKPBYRVSA-N -1 3 208.221 0.552 20 0 BCADHM CCC[C@H](C(=O)N[C@H](CC)C(=O)[O-])N(C)C ZINC000519776465 386554280 /nfs/dbraw/zinc/55/42/80/386554280.db2.gz OXBVYWUXEFIWNT-RKDXNWHRSA-N -1 3 230.308 0.696 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CC3)n1 ZINC000335408087 386568042 /nfs/dbraw/zinc/56/80/42/386568042.db2.gz MEVRMBIZUAWESW-QMMMGPOBSA-N -1 3 241.316 0.499 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC1(C)CC1 ZINC000519858274 386568605 /nfs/dbraw/zinc/56/86/05/386568605.db2.gz HCMHUHTUXMHFOX-SECBINFHSA-N -1 3 237.303 0.805 20 0 BCADHM C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645424124 386620321 /nfs/dbraw/zinc/62/03/21/386620321.db2.gz QXLPBOWCXVPCAP-UHFFFAOYSA-N -1 3 246.288 0.198 20 0 BCADHM C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000096996986 386631482 /nfs/dbraw/zinc/63/14/82/386631482.db2.gz FYPOOEPCTCEIRW-UHFFFAOYSA-N -1 3 223.685 0.290 20 0 BCADHM CC(C)(C)c1nnc(C[N-]S(C)(=O)=O)s1 ZINC000268228493 386631573 /nfs/dbraw/zinc/63/15/73/386631573.db2.gz USEQOBZWUUUXDU-UHFFFAOYSA-N -1 3 249.361 0.885 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CCC(O)CC2)n1 ZINC000268261891 386636405 /nfs/dbraw/zinc/63/64/05/386636405.db2.gz XPNYGFCSCHZBGR-UHFFFAOYSA-N -1 3 237.303 0.701 20 0 BCADHM CCc1cc(=O)[n-]c(CN(CC)[C@H](C)CO)n1 ZINC000292231483 386637111 /nfs/dbraw/zinc/63/71/11/386637111.db2.gz PPDVXXWKMHVMOD-SECBINFHSA-N -1 3 239.319 0.947 20 0 BCADHM C[C@H](O)CNC(=O)c1cccc2nn[n-]c21 ZINC000525870786 386600942 /nfs/dbraw/zinc/60/09/42/386600942.db2.gz HSBFEEKXXLEQTR-LURJTMIESA-N -1 3 220.232 0.069 20 0 BCADHM C[C@H](O)CNC(=O)c1cccc2[n-]nnc21 ZINC000525870786 386600947 /nfs/dbraw/zinc/60/09/47/386600947.db2.gz HSBFEEKXXLEQTR-LURJTMIESA-N -1 3 220.232 0.069 20 0 BCADHM C[C@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC000525870786 386600952 /nfs/dbraw/zinc/60/09/52/386600952.db2.gz HSBFEEKXXLEQTR-LURJTMIESA-N -1 3 220.232 0.069 20 0 BCADHM O=C(c1cc(F)cc2[n-]nnc21)N1CC(F)C1 ZINC000328647273 386602992 /nfs/dbraw/zinc/60/29/92/386602992.db2.gz HIWREZNOPPQHKK-UHFFFAOYSA-N -1 3 238.197 0.891 20 0 BCADHM O=C(c1cc(F)cc2nn[n-]c21)N1CC(F)C1 ZINC000328647273 386603000 /nfs/dbraw/zinc/60/30/00/386603000.db2.gz HIWREZNOPPQHKK-UHFFFAOYSA-N -1 3 238.197 0.891 20 0 BCADHM O=C(c1cc(F)cc2n[n-]nc21)N1CC(F)C1 ZINC000328647273 386603008 /nfs/dbraw/zinc/60/30/08/386603008.db2.gz HIWREZNOPPQHKK-UHFFFAOYSA-N -1 3 238.197 0.891 20 0 BCADHM COc1nnc(NC(=O)[C@H](C)N2CC(C)C2)[n-]1 ZINC000520426221 386672397 /nfs/dbraw/zinc/67/23/97/386672397.db2.gz BMLJYNQRFAKRCC-ZETCQYMHSA-N -1 3 239.279 0.092 20 0 BCADHM COc1nc(NC(=O)[C@H](C)N2CC(C)C2)n[n-]1 ZINC000520426221 386672400 /nfs/dbraw/zinc/67/24/00/386672400.db2.gz BMLJYNQRFAKRCC-ZETCQYMHSA-N -1 3 239.279 0.092 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](C)N2CC(C)C2)n1 ZINC000520426221 386672405 /nfs/dbraw/zinc/67/24/05/386672405.db2.gz BMLJYNQRFAKRCC-ZETCQYMHSA-N -1 3 239.279 0.092 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2CC[C@H]2O)ccc1[O-] ZINC000335529523 386676022 /nfs/dbraw/zinc/67/60/22/386676022.db2.gz ILIQAPSKGXIFKT-MWLCHTKSSA-N -1 3 221.256 0.954 20 0 BCADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccco2)CO1 ZINC000335469200 386686655 /nfs/dbraw/zinc/68/66/55/386686655.db2.gz FMKNIKRRBMNYOH-YUMQZZPRSA-N -1 3 231.273 0.735 20 0 BCADHM Cc1nnc(NC(=O)Cc2cncc([O-])c2)n1C ZINC000580345979 386686980 /nfs/dbraw/zinc/68/69/80/386686980.db2.gz WCFSYFRZLPKBNO-UHFFFAOYSA-N -1 3 247.258 0.405 20 0 BCADHM CC(C)c1noc(=NC[C@H](C)N(C)C)[n-]1 ZINC000336759907 386694553 /nfs/dbraw/zinc/69/45/53/386694553.db2.gz LSOJAGNJVNBGRQ-QMMMGPOBSA-N -1 3 212.297 0.977 20 0 BCADHM C[C@@]1(CO)CCCN1C(=O)c1csc(=O)[n-]1 ZINC000526923478 386696816 /nfs/dbraw/zinc/69/68/16/386696816.db2.gz HTUXAHISSHCCTD-JTQLQIEISA-N -1 3 242.300 0.836 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C2(CF)CCC2)n1 ZINC000335486140 386716754 /nfs/dbraw/zinc/71/67/54/386716754.db2.gz OZZOVKOGMFGAOF-UHFFFAOYSA-N -1 3 247.295 0.591 20 0 BCADHM COC(=O)[C@@]1([N-]C(=O)C(F)F)CCSC1 ZINC000279963098 386760856 /nfs/dbraw/zinc/76/08/56/386760856.db2.gz SZDIBIQYBLHNKW-MRVPVSSYSA-N -1 3 239.243 0.416 20 0 BCADHM C[C@@H](CN(C)C)[N-]S(=O)(=O)c1ccco1 ZINC000344877788 386790290 /nfs/dbraw/zinc/79/02/90/386790290.db2.gz HBWDOLRXNPXDEC-QMMMGPOBSA-N -1 3 232.305 0.508 20 0 BCADHM CC(C)[C@H]([N-]C(=O)C(C)(F)F)C(N)=O ZINC000293248869 386794031 /nfs/dbraw/zinc/79/40/31/386794031.db2.gz CWYLKGRBGIQNEG-YFKPBYRVSA-N -1 3 208.208 0.268 20 0 BCADHM COc1ncc(/C=C/C(=O)[N-]OC(C)C)cn1 ZINC000493864573 533192392 /nfs/dbraw/zinc/19/23/92/533192392.db2.gz ZCQKEPBMSRZVPB-SNAWJCMRSA-N -1 3 237.259 0.955 20 0 BCADHM O=C1[N-]C(=O)N2CCN(CCCCCF)C[C@@H]12 ZINC000330531539 386777931 /nfs/dbraw/zinc/77/79/31/386777931.db2.gz MRPCPOJSYAOBDF-VIFPVBQESA-N -1 3 243.282 0.362 20 0 BCADHM NC(=O)CCCC[N-]S(=O)(=O)c1ccco1 ZINC000527077150 386779134 /nfs/dbraw/zinc/77/91/34/386779134.db2.gz ADOVUYJQLFQGNV-UHFFFAOYSA-N -1 3 246.288 0.214 20 0 BCADHM O=C(CC[C@@H]1CCOC1)Nc1ccncc1[O-] ZINC000329697378 386784312 /nfs/dbraw/zinc/78/43/12/386784312.db2.gz FFJFPVDLTNOKAD-SECBINFHSA-N -1 3 236.271 0.964 20 0 BCADHM CC(C)[C@H](CO)C[N-]S(=O)(=O)c1ccco1 ZINC000344825261 386784922 /nfs/dbraw/zinc/78/49/22/386784922.db2.gz JKIYFQCTXITLKP-VIFPVBQESA-N -1 3 247.316 0.822 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCO)o1 ZINC000330661496 386816494 /nfs/dbraw/zinc/81/64/94/386816494.db2.gz STFSFDIAHRJJML-SSDOTTSWSA-N -1 3 233.289 0.637 20 0 BCADHM C[C@@H]1C[C@H]1CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329950989 386817599 /nfs/dbraw/zinc/81/75/99/386817599.db2.gz MPCRDMJGBFTBMZ-HRDYMLBCSA-N -1 3 223.276 0.719 20 0 BCADHM COc1ncc(/C=C\C(=O)[N-]OCC2CC2)cn1 ZINC000492805485 533195915 /nfs/dbraw/zinc/19/59/15/533195915.db2.gz JDCJWEOIYQJFHS-PLNGDYQASA-N -1 3 249.270 0.956 20 0 BCADHM Cc1n[nH]c(SCC(=O)[N-]OCC2CC2)n1 ZINC000293723816 386865862 /nfs/dbraw/zinc/86/58/62/386865862.db2.gz GYMQLCNTSJOEOP-UHFFFAOYSA-N -1 3 242.304 0.663 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336739444 386881873 /nfs/dbraw/zinc/88/18/73/386881873.db2.gz LGUMANYDVDOGGG-XPUUQOCRSA-N -1 3 241.209 0.849 20 0 BCADHM Cc1nc[nH]c1CC(=O)[N-]OCC1CC1 ZINC000293824689 386884698 /nfs/dbraw/zinc/88/46/98/386884698.db2.gz RXMZFSHMXUASBM-UHFFFAOYSA-N -1 3 209.249 0.718 20 0 BCADHM Cc1[nH]cnc1CC(=O)[N-]OCC1CC1 ZINC000293824689 386884706 /nfs/dbraw/zinc/88/47/06/386884706.db2.gz RXMZFSHMXUASBM-UHFFFAOYSA-N -1 3 209.249 0.718 20 0 BCADHM COc1cc(C(=O)Nc2ncccc2[O-])nn1C ZINC000358092232 386890242 /nfs/dbraw/zinc/89/02/42/386890242.db2.gz CKWZYHVUZLSBIN-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM CC[C@](C)([N-]S(=O)(=O)CC1CC1)C(=O)OC ZINC000331786831 386904565 /nfs/dbraw/zinc/90/45/65/386904565.db2.gz OKGLEKXTBVLGSX-JTQLQIEISA-N -1 3 249.332 0.658 20 0 BCADHM C[C@H](CF)NC(=O)NCc1ncccc1[O-] ZINC000341582007 386924941 /nfs/dbraw/zinc/92/49/41/386924941.db2.gz LDJICEGSFKCJLZ-SSDOTTSWSA-N -1 3 227.239 0.944 20 0 BCADHM CCS(=O)(=O)[N-][C@H](CC(F)F)C(=O)OC ZINC000341719222 386954864 /nfs/dbraw/zinc/95/48/64/386954864.db2.gz RZUKTAFGXYMBEH-RXMQYKEDSA-N -1 3 245.247 0.123 20 0 BCADHM CN(C)c1ccc(NC(=O)c2nnc[n-]2)nc1 ZINC000358438281 386955828 /nfs/dbraw/zinc/95/58/28/386955828.db2.gz WAMFBNFCQQMINE-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CN(C)c1ccc(NC(=O)c2nc[n-]n2)nc1 ZINC000358438281 386955832 /nfs/dbraw/zinc/95/58/32/386955832.db2.gz WAMFBNFCQQMINE-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM Cn1cnc(CCNC(=O)c2ccccc2[O-])n1 ZINC000094817750 386959777 /nfs/dbraw/zinc/95/97/77/386959777.db2.gz KFJJVLKHPMEQSG-UHFFFAOYSA-N -1 3 246.270 0.493 20 0 BCADHM Cc1noc2ncc(NC(=O)c3nc[n-]n3)cc12 ZINC000358525694 386974449 /nfs/dbraw/zinc/97/44/49/386974449.db2.gz FTBIHGRUCWMLFP-UHFFFAOYSA-N -1 3 244.214 0.902 20 0 BCADHM COC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358585801 386985089 /nfs/dbraw/zinc/98/50/89/386985089.db2.gz HJGSHOGOHSXUAN-SSDOTTSWSA-N -1 3 233.289 0.901 20 0 BCADHM CN(C)c1cc(NC(=O)c2nc[n-]n2)ccn1 ZINC000358587948 386985146 /nfs/dbraw/zinc/98/51/46/386985146.db2.gz LGNKQSHWPXQICQ-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]Cc1ccno1 ZINC000331270836 386992556 /nfs/dbraw/zinc/99/25/56/386992556.db2.gz KZFGFEMUAYYLAY-SSDOTTSWSA-N -1 3 234.277 0.129 20 0 BCADHM O=S(=O)([N-]CCO)c1cccs1 ZINC000011804481 386993497 /nfs/dbraw/zinc/99/34/97/386993497.db2.gz SKENTUVGPGQIFB-UHFFFAOYSA-N -1 3 207.276 0.019 20 0 BCADHM CC(C)c1nccn1CC(=O)Nc1nnn[n-]1 ZINC000331279592 386993672 /nfs/dbraw/zinc/99/36/72/386993672.db2.gz ZUPWNMXFGOQWCV-UHFFFAOYSA-N -1 3 235.251 0.158 20 0 BCADHM CC(C)c1nccn1CC(=O)Nc1nn[n-]n1 ZINC000331279592 386993680 /nfs/dbraw/zinc/99/36/80/386993680.db2.gz ZUPWNMXFGOQWCV-UHFFFAOYSA-N -1 3 235.251 0.158 20 0 BCADHM CC(C)(C)N1CC[C@@](F)(C(=O)[N-]OCCO)C1 ZINC000368651405 386999846 /nfs/dbraw/zinc/99/98/46/386999846.db2.gz HJHWFADMSNPKPV-NSHDSACASA-N -1 3 248.298 0.239 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000333384361 387031188 /nfs/dbraw/zinc/03/11/88/387031188.db2.gz BXHIJFSZEQMWDS-AYMMMOKOSA-N -1 3 241.316 0.497 20 0 BCADHM CN(Cc1nncn1C)C(=O)c1cccc([O-])c1 ZINC000336788069 387036956 /nfs/dbraw/zinc/03/69/56/387036956.db2.gz GLDXRBUGJWXKKD-UHFFFAOYSA-N -1 3 246.270 0.793 20 0 BCADHM CC(C)c1noc(=NC[C@H]2CNCCO2)[n-]1 ZINC000333729058 387052486 /nfs/dbraw/zinc/05/24/86/387052486.db2.gz VVTAMNOQSFFPHR-MRVPVSSYSA-N -1 3 226.280 0.015 20 0 BCADHM CCN(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000330426264 387009957 /nfs/dbraw/zinc/00/99/57/387009957.db2.gz JPQZSVRDAOICRM-UHFFFAOYSA-N -1 3 224.264 0.340 20 0 BCADHM Cc1noc(C[N-]S(=O)(=O)CCC2CC2)n1 ZINC000333284338 387025431 /nfs/dbraw/zinc/02/54/31/387025431.db2.gz KDYMDEWSYISSQI-UHFFFAOYSA-N -1 3 245.304 0.598 20 0 BCADHM CS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000336273620 387107249 /nfs/dbraw/zinc/10/72/49/387107249.db2.gz PZPHFYBMZDGPEL-UHFFFAOYSA-N -1 3 212.274 0.942 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC000370445319 387116045 /nfs/dbraw/zinc/11/60/45/387116045.db2.gz SYGXRVVCNQOMKP-ONGXEEELSA-N -1 3 229.276 0.497 20 0 BCADHM Cc1ccc(C(=O)N[C@@H]2CCC(=O)NC2)c([O-])c1 ZINC000070162159 387118279 /nfs/dbraw/zinc/11/82/79/387118279.db2.gz QWLWOXAKLWMUBH-SECBINFHSA-N -1 3 248.282 0.709 20 0 BCADHM COC(OC)C(=O)Nc1ccccc1[O-] ZINC000575442734 387142364 /nfs/dbraw/zinc/14/23/64/387142364.db2.gz PXJWXLJDWLEJMA-UHFFFAOYSA-N -1 3 211.217 0.950 20 0 BCADHM CS(=O)(=O)[N-]c1cccc2c1CNC2=O ZINC000336320458 387150442 /nfs/dbraw/zinc/15/04/42/387150442.db2.gz QVBGEDFJSFYWTG-UHFFFAOYSA-N -1 3 226.257 0.302 20 0 BCADHM Cn1[n-]c(CN2CC[C@@H]3CCC[C@H]32)nc1=O ZINC000336353029 387183380 /nfs/dbraw/zinc/18/33/80/387183380.db2.gz FVRWPWPSCIBRQI-DTWKUNHWSA-N -1 3 222.292 0.483 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)C(C1CC1)C1CC1 ZINC000353478386 387210316 /nfs/dbraw/zinc/21/03/16/387210316.db2.gz TXJOARVLIDASLQ-UHFFFAOYSA-N -1 3 236.319 0.729 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2csc(=O)[n-]2)CO1 ZINC000572042452 387221101 /nfs/dbraw/zinc/22/11/01/387221101.db2.gz NPWKREYTRUPVCU-WDSKDSINSA-N -1 3 228.273 0.756 20 0 BCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccon2)CO1 ZINC000572116986 387238224 /nfs/dbraw/zinc/23/82/24/387238224.db2.gz NMIYPHSMIAVMOO-VXNVDRBHSA-N -1 3 246.288 0.271 20 0 BCADHM CO[N-]C(=O)[C@]1(N(C)C)CCCSC1 ZINC000371361586 387198209 /nfs/dbraw/zinc/19/82/09/387198209.db2.gz RYGKDEALEBHVCT-VIFPVBQESA-N -1 3 218.322 0.491 20 0 BCADHM CO[N-]C(=O)[C@@]1(N(C)C)CCCSC1 ZINC000371361585 387198430 /nfs/dbraw/zinc/19/84/30/387198430.db2.gz RYGKDEALEBHVCT-SECBINFHSA-N -1 3 218.322 0.491 20 0 BCADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1c[nH]cn1 ZINC000336438782 387262857 /nfs/dbraw/zinc/26/28/57/387262857.db2.gz CKENJIJBMACLAV-NKWVEPMBSA-N -1 3 233.268 0.579 20 0 BCADHM CCC[C@@H]([N-]S(=O)(=O)c1ccco1)C(N)=O ZINC000352497894 387264682 /nfs/dbraw/zinc/26/46/82/387264682.db2.gz BXVSFNVZPOIAHU-SSDOTTSWSA-N -1 3 246.288 0.212 20 0 BCADHM Cc1cnn(CC(=O)NCc2ncccc2[O-])c1 ZINC000352502608 387266423 /nfs/dbraw/zinc/26/64/23/387266423.db2.gz WTHATLVPIQNLQS-UHFFFAOYSA-N -1 3 246.270 0.609 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CN(C)C(=O)[C@H]2C)c1 ZINC000648641923 387267826 /nfs/dbraw/zinc/26/78/26/387267826.db2.gz SOTORXOPQSGALQ-SECBINFHSA-N -1 3 248.282 0.961 20 0 BCADHM CCO[C@H]1C[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000352511429 387268548 /nfs/dbraw/zinc/26/85/48/387268548.db2.gz XLUJFBURWBAIOZ-KWQFWETISA-N -1 3 236.271 0.828 20 0 BCADHM CO[C@@H](C(=O)NCc1ncccc1[O-])C1CC1 ZINC000352514590 387283938 /nfs/dbraw/zinc/28/39/38/387283938.db2.gz BLQQUBIGUVCXII-LLVKDONJSA-N -1 3 236.271 0.828 20 0 BCADHM CC[C@@H](C(=O)NCc1ncccc1[O-])N(C)C ZINC000352518560 387286631 /nfs/dbraw/zinc/28/66/31/387286631.db2.gz YGEROIGNYGDZMN-JTQLQIEISA-N -1 3 237.303 0.744 20 0 BCADHM COCCCC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000514858720 387296971 /nfs/dbraw/zinc/29/69/71/387296971.db2.gz DUCPJGQGHAJVHB-UHFFFAOYSA-N -1 3 247.320 0.125 20 0 BCADHM CCOC1(C)CN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000514911971 387306211 /nfs/dbraw/zinc/30/62/11/387306211.db2.gz KGFYGYRFOMNECC-UHFFFAOYSA-N -1 3 248.290 0.332 20 0 BCADHM Cn1c(=O)[n-]nc1SCC1(C)COC1 ZINC000360865028 387360594 /nfs/dbraw/zinc/36/05/94/387360594.db2.gz UEQVQLIBMQDVSE-UHFFFAOYSA-N -1 3 215.278 0.649 20 0 BCADHM O=S(=O)([N-]C[C@H](CO)C1CC1)c1ccco1 ZINC000352600906 387361297 /nfs/dbraw/zinc/36/12/97/387361297.db2.gz XDNVDBRIUYWBTG-SECBINFHSA-N -1 3 245.300 0.576 20 0 BCADHM CN(C)CCNC(=O)c1cccc(C(=O)[O-])c1 ZINC000035347406 387364775 /nfs/dbraw/zinc/36/47/75/387364775.db2.gz QYJCSLCAMYQTIP-UHFFFAOYSA-N -1 3 236.271 0.676 20 0 BCADHM COC(=O)C1([N-]S(C)(=O)=O)CCC(C)CC1 ZINC000336558326 387382680 /nfs/dbraw/zinc/38/26/80/387382680.db2.gz HIUMZUXYTJOBPK-UHFFFAOYSA-N -1 3 249.332 0.658 20 0 BCADHM CSc1nnc(NC(=O)c2cnccn2)[n-]1 ZINC000354122966 387331657 /nfs/dbraw/zinc/33/16/57/387331657.db2.gz QQEARGDRWVCNBX-UHFFFAOYSA-N -1 3 236.260 0.569 20 0 BCADHM CSc1n[n-]c(NC(=O)c2cnccn2)n1 ZINC000354122966 387331662 /nfs/dbraw/zinc/33/16/62/387331662.db2.gz QQEARGDRWVCNBX-UHFFFAOYSA-N -1 3 236.260 0.569 20 0 BCADHM CCN(CCN1CCCCCC1)C(=O)C(=O)[O-] ZINC000354963074 387453783 /nfs/dbraw/zinc/45/37/83/387453783.db2.gz FSBJAPRACBHHFD-UHFFFAOYSA-N -1 3 242.319 0.796 20 0 BCADHM CC[C@@H](C)N(C)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000336614725 387454765 /nfs/dbraw/zinc/45/47/65/387454765.db2.gz VBWJVUSWNRDIOE-SSDOTTSWSA-N -1 3 239.275 0.356 20 0 BCADHM COC[C@H](C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000354988554 387459454 /nfs/dbraw/zinc/45/94/54/387459454.db2.gz YSKZJSMTHSYFST-ZETCQYMHSA-N -1 3 225.248 0.255 20 0 BCADHM O=C(Nc1cccc2[nH]cnc21)c1cnn[n-]1 ZINC000136257643 387401478 /nfs/dbraw/zinc/40/14/78/387401478.db2.gz AOQIPRFSTRWUCJ-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1cccc2[nH]cnc21)c1c[n-]nn1 ZINC000136257643 387401484 /nfs/dbraw/zinc/40/14/84/387401484.db2.gz AOQIPRFSTRWUCJ-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1cccc2[nH]cnc21)c1cn[n-]n1 ZINC000136257643 387401489 /nfs/dbraw/zinc/40/14/89/387401489.db2.gz AOQIPRFSTRWUCJ-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM Cn1cnnc1C[S@@](=O)c1ccc([O-])cc1 ZINC000572427136 387419658 /nfs/dbraw/zinc/41/96/58/387419658.db2.gz XBYJLYBLRXFCCU-MRXNPFEDSA-N -1 3 237.284 0.829 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000527190413 387523431 /nfs/dbraw/zinc/52/34/31/387523431.db2.gz FSPVECVWYUMYQH-AXTRIDKLSA-N -1 3 248.282 0.828 20 0 BCADHM O=C([O-])C(=O)N1CCN(C2CCCCC2)CC1 ZINC000002456712 387468290 /nfs/dbraw/zinc/46/82/90/387468290.db2.gz IBBICOXDEBOUJU-UHFFFAOYSA-N -1 3 240.303 0.548 20 0 BCADHM CCN(C)S(=O)(=O)[N-]c1cncnc1 ZINC000362212276 387585103 /nfs/dbraw/zinc/58/51/03/387585103.db2.gz CKBZLTQNNQDDPO-UHFFFAOYSA-N -1 3 216.266 0.085 20 0 BCADHM Cc1ccoc1C(=O)Nc1[n-]nnc1C(N)=O ZINC000362412615 387609814 /nfs/dbraw/zinc/60/98/14/387609814.db2.gz TUBMBBSCGXJBIC-UHFFFAOYSA-N -1 3 235.203 0.057 20 0 BCADHM Cc1ccoc1C(=O)Nc1nn[n-]c1C(N)=O ZINC000362412615 387609817 /nfs/dbraw/zinc/60/98/17/387609817.db2.gz TUBMBBSCGXJBIC-UHFFFAOYSA-N -1 3 235.203 0.057 20 0 BCADHM Cc1ccoc1C(=O)Nc1n[n-]nc1C(N)=O ZINC000362412615 387609820 /nfs/dbraw/zinc/60/98/20/387609820.db2.gz TUBMBBSCGXJBIC-UHFFFAOYSA-N -1 3 235.203 0.057 20 0 BCADHM CCC[C@H](O)C[N-]S(=O)(=O)c1ccccn1 ZINC000305678837 387625011 /nfs/dbraw/zinc/62/50/11/387625011.db2.gz KEDVHESOZKOSGF-VIFPVBQESA-N -1 3 244.316 0.521 20 0 BCADHM C[C@H](O)CCN(C)c1nc2nncc-2c(O)[n-]1 ZINC000356187192 387625583 /nfs/dbraw/zinc/62/55/83/387625583.db2.gz BPFRQPWBGFITQO-LURJTMIESA-N -1 3 237.263 0.266 20 0 BCADHM Cn1cnc(NC(=O)c2ccc3n[n-]nc3c2)n1 ZINC000356446744 387660127 /nfs/dbraw/zinc/66/01/27/387660127.db2.gz SBCDMZCDKHQKQO-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM C[C@@H](C[N-]S(=O)(=O)c1ccco1)N(C)C ZINC000451933331 387673634 /nfs/dbraw/zinc/67/36/34/387673634.db2.gz PXWPYSIFENQERJ-QMMMGPOBSA-N -1 3 232.305 0.508 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@]2(C)CNC(=O)C2)n1 ZINC000376897769 387676728 /nfs/dbraw/zinc/67/67/28/387676728.db2.gz LQNYEIWFKKCBOG-LBPRGKRZSA-N -1 3 249.270 0.560 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@]2(C)CNC(=O)C2)n1 ZINC000376897765 387676977 /nfs/dbraw/zinc/67/69/77/387676977.db2.gz LQNYEIWFKKCBOG-GFCCVEGCSA-N -1 3 249.270 0.560 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@@H]1CCOC1 ZINC000126559415 387689175 /nfs/dbraw/zinc/68/91/75/387689175.db2.gz JOAMZSOKLITDAO-JGVFFNPUSA-N -1 3 245.304 0.113 20 0 BCADHM COC(=O)c1cc(C(=O)Nc2cn[nH]c2)c[n-]1 ZINC000431965999 387743999 /nfs/dbraw/zinc/74/39/99/387743999.db2.gz SIKKRZBJAMLWST-UHFFFAOYSA-N -1 3 234.215 0.777 20 0 BCADHM CO[N-]C(=O)[C@@H]1C[C@@]1(C)Br ZINC000527824548 387746759 /nfs/dbraw/zinc/74/67/59/387746759.db2.gz YMSMURUMEILWPT-UJURSFKZSA-N -1 3 208.055 0.838 20 0 BCADHM COCc1ccc(C(=O)[N-]c2nncn2C)o1 ZINC000157244586 387775556 /nfs/dbraw/zinc/77/55/56/387775556.db2.gz QZWSBHPDPKTFLA-UHFFFAOYSA-N -1 3 236.231 0.807 20 0 BCADHM COc1cc(C(=O)N2CC(OC)C2)ccc1[O-] ZINC000442648097 387812407 /nfs/dbraw/zinc/81/24/07/387812407.db2.gz JZESCZKHAVFDLD-UHFFFAOYSA-N -1 3 237.255 0.872 20 0 BCADHM Cc1nc([C@](C)([N-]S(C)(=O)=O)C2CC2)no1 ZINC000432301746 387780912 /nfs/dbraw/zinc/78/09/12/387780912.db2.gz XCPOHRJLWFBAPZ-SECBINFHSA-N -1 3 245.304 0.552 20 0 BCADHM O=S(=O)([N-]CC1(CO)CC1)c1cscn1 ZINC000645576491 387839284 /nfs/dbraw/zinc/83/92/84/387839284.db2.gz ZQUNDJHHDQMRHS-UHFFFAOYSA-N -1 3 248.329 0.194 20 0 BCADHM c1[n-][nH]c2ncnc(=NCC[C@@H]3CCCOC3)c1-2 ZINC000528071209 387843155 /nfs/dbraw/zinc/84/31/55/387843155.db2.gz IBQCPIRWDOXBQL-VIFPVBQESA-N -1 3 247.302 0.955 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000528209408 387871354 /nfs/dbraw/zinc/87/13/54/387871354.db2.gz VKLVSSAMHIWWPN-JIOCBJNQSA-N -1 3 247.302 0.950 20 0 BCADHM c1[n-][nH]c2ncnc(=NCC34CC(C3)CO4)c1-2 ZINC000528184683 387874769 /nfs/dbraw/zinc/87/47/69/387874769.db2.gz PYSASMLYWQIBET-UHFFFAOYSA-N -1 3 231.259 0.317 20 0 BCADHM Cn1[n-]nnc1=NC[C@H]1CCN1C1CCCC1 ZINC000528208555 387871540 /nfs/dbraw/zinc/87/15/40/387871540.db2.gz JSYNMBLIOPXGPB-SNVBAGLBSA-N -1 3 236.323 0.061 20 0 BCADHM CCOC1CN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000564070383 387814262 /nfs/dbraw/zinc/81/42/62/387814262.db2.gz NEKDSSGBZTYCBY-UHFFFAOYSA-N -1 3 246.270 0.819 20 0 BCADHM CCOC1CN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000564070383 387814269 /nfs/dbraw/zinc/81/42/69/387814269.db2.gz NEKDSSGBZTYCBY-UHFFFAOYSA-N -1 3 246.270 0.819 20 0 BCADHM CCOC1CN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000564070383 387814272 /nfs/dbraw/zinc/81/42/72/387814272.db2.gz NEKDSSGBZTYCBY-UHFFFAOYSA-N -1 3 246.270 0.819 20 0 BCADHM NC(=O)CCNC(=O)c1cc([O-])ccc1Cl ZINC000236182003 387877424 /nfs/dbraw/zinc/87/74/24/387877424.db2.gz HBHVCHMDXODESJ-UHFFFAOYSA-N -1 3 242.662 0.651 20 0 BCADHM CC[C@H](C[C@@H](C)CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000439714092 388015655 /nfs/dbraw/zinc/01/56/55/388015655.db2.gz KAPKSCIJLOUGLL-RKDXNWHRSA-N -1 3 249.318 0.935 20 0 BCADHM CC[C@@H](C[C@H](C)CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000439714091 388016149 /nfs/dbraw/zinc/01/61/49/388016149.db2.gz KAPKSCIJLOUGLL-IUCAKERBSA-N -1 3 249.318 0.935 20 0 BCADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCC(=O)N1 ZINC000085203747 388085003 /nfs/dbraw/zinc/08/50/03/388085003.db2.gz QGMRJBFNTXLICF-VIFPVBQESA-N -1 3 238.218 0.748 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C(C1CC1)C1CC1 ZINC000646266668 388172673 /nfs/dbraw/zinc/17/26/73/388172673.db2.gz KRWGDYKAQNPMTM-UHFFFAOYSA-N -1 3 246.274 0.827 20 0 BCADHM CC[C@@H](C)CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646265000 388172804 /nfs/dbraw/zinc/17/28/04/388172804.db2.gz LAISWXJOJHLYPW-ZCFIWIBFSA-N -1 3 222.252 0.827 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C1CCC1 ZINC000646265163 388172962 /nfs/dbraw/zinc/17/29/62/388172962.db2.gz OETDREMXNGTIIN-UHFFFAOYSA-N -1 3 206.209 0.191 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C1CC=CC1 ZINC000646264754 388173101 /nfs/dbraw/zinc/17/31/01/388173101.db2.gz DKADMJCIBLPEKE-UHFFFAOYSA-N -1 3 218.220 0.357 20 0 BCADHM CCCCOCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646266822 388173497 /nfs/dbraw/zinc/17/34/97/388173497.db2.gz UUWLVHMVSOMPBZ-UHFFFAOYSA-N -1 3 238.251 0.208 20 0 BCADHM CCOCCCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646266844 388173767 /nfs/dbraw/zinc/17/37/67/388173767.db2.gz VOHIBLJFTISAQS-UHFFFAOYSA-N -1 3 238.251 0.208 20 0 BCADHM CCOC(=O)C(CC)(CC)[N-]S(C)(=O)=O ZINC000490547531 388240119 /nfs/dbraw/zinc/24/01/19/388240119.db2.gz LHVYUGUUWFBQTD-UHFFFAOYSA-N -1 3 237.321 0.658 20 0 BCADHM C[C@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC000459376175 388243006 /nfs/dbraw/zinc/24/30/06/388243006.db2.gz RBOLTDNCNWJGFZ-KWQFWETISA-N -1 3 249.314 0.872 20 0 BCADHM Cc1ccncc1/C=C/C(=O)[N-]OCCO ZINC000492031764 388332012 /nfs/dbraw/zinc/33/20/12/388332012.db2.gz NECCGVLSASSAFC-NSCUHMNNSA-N -1 3 222.244 0.443 20 0 BCADHM CC[C@@H](C)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000451831849 388299911 /nfs/dbraw/zinc/29/99/11/388299911.db2.gz BHQWPHMEWFCSFB-SECBINFHSA-N -1 3 239.323 0.426 20 0 BCADHM O=C(/C=C/c1ccnc(Cl)c1)[N-]OCCO ZINC000491991854 388330909 /nfs/dbraw/zinc/33/09/09/388330909.db2.gz PDNVKKOMFJYXIF-OWOJBTEDSA-N -1 3 242.662 0.788 20 0 BCADHM CC(=O)NCCNC(=O)/C=C\c1cncc([O-])c1 ZINC000492384640 388342982 /nfs/dbraw/zinc/34/29/82/388342982.db2.gz PBTUUVSEPSYULD-IHWYPQMZSA-N -1 3 249.270 0.053 20 0 BCADHM CNC(=O)CCNC(=O)/C=C\c1cncc([O-])c1 ZINC000492438517 388344487 /nfs/dbraw/zinc/34/44/87/388344487.db2.gz JEQZYYPKJCDHAO-IHWYPQMZSA-N -1 3 249.270 0.053 20 0 BCADHM CCc1nccn1[C@H](C)CC(=O)Nc1nnn[n-]1 ZINC000648788512 388356489 /nfs/dbraw/zinc/35/64/89/388356489.db2.gz KCKRRHFLKOMHPK-SSDOTTSWSA-N -1 3 249.278 0.548 20 0 BCADHM CCc1nccn1[C@H](C)CC(=O)Nc1nn[n-]n1 ZINC000648788512 388356493 /nfs/dbraw/zinc/35/64/93/388356493.db2.gz KCKRRHFLKOMHPK-SSDOTTSWSA-N -1 3 249.278 0.548 20 0 BCADHM C[C@@H]1CN(CC(=O)Nc2nnn[n-]2)[C@@H](C)[C@H]1C ZINC000572706521 388368431 /nfs/dbraw/zinc/36/84/31/388368431.db2.gz QTOPERQCHYIUMK-CSMHCCOUSA-N -1 3 238.295 0.115 20 0 BCADHM C[C@@H]1CN(CC(=O)Nc2nn[n-]n2)[C@@H](C)[C@H]1C ZINC000572706521 388368432 /nfs/dbraw/zinc/36/84/32/388368432.db2.gz QTOPERQCHYIUMK-CSMHCCOUSA-N -1 3 238.295 0.115 20 0 BCADHM C[C@H](CO)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646651568 388402647 /nfs/dbraw/zinc/40/26/47/388402647.db2.gz YGDZVVLLBQEADD-ZCFIWIBFSA-N -1 3 235.243 0.379 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)/C=C\C1CCC1 ZINC000492094890 388334761 /nfs/dbraw/zinc/33/47/61/388334761.db2.gz ZOEUSHTTWGMRQN-GZTOBOFZSA-N -1 3 249.314 0.971 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCO[C@H]2C[C@H]21 ZINC000646741703 388451851 /nfs/dbraw/zinc/45/18/51/388451851.db2.gz HFWZYQHFDUERGE-MNOVXSKESA-N -1 3 244.254 0.571 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000071851168 388453157 /nfs/dbraw/zinc/45/31/57/388453157.db2.gz OPBDQPSPDXEFET-SECBINFHSA-N -1 3 244.291 0.923 20 0 BCADHM COc1ccc([O-])c(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c1 ZINC000527270217 388455778 /nfs/dbraw/zinc/45/57/78/388455778.db2.gz HIAUBQVJVSBMIO-IAZYJMLFSA-N -1 3 249.266 0.775 20 0 BCADHM CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000047464047 388459106 /nfs/dbraw/zinc/45/91/06/388459106.db2.gz WAWUITWYHJIAHX-UHFFFAOYSA-N -1 3 219.200 0.322 20 0 BCADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cn(C)nn1 ZINC000649229096 388463554 /nfs/dbraw/zinc/46/35/54/388463554.db2.gz MRCADUJLKVJAJD-UHFFFAOYSA-N -1 3 248.290 0.644 20 0 BCADHM Cc1ncc(CNC(=O)[C@H]2CCC(=O)C2)c(=O)[n-]1 ZINC000648859275 388473169 /nfs/dbraw/zinc/47/31/69/388473169.db2.gz MOUMHLGTWSJUQP-QMMMGPOBSA-N -1 3 249.270 0.476 20 0 BCADHM CC(=O)N1CC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000175000098 388425808 /nfs/dbraw/zinc/42/58/08/388425808.db2.gz MAOQRAFRXKAJQK-VIFPVBQESA-N -1 3 249.270 0.594 20 0 BCADHM CC(C)(C)[C@H](NCc1ncccc1[O-])C(N)=O ZINC000573263094 388436755 /nfs/dbraw/zinc/43/67/55/388436755.db2.gz BIBXYHNMHBJTLB-SNVBAGLBSA-N -1 3 237.303 0.777 20 0 BCADHM CC[C@H](NC(=O)c1cccc([O-])c1)C(N)=O ZINC000298417305 388438226 /nfs/dbraw/zinc/43/82/26/388438226.db2.gz XMONMCWCUVTEMK-VIFPVBQESA-N -1 3 222.244 0.386 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)C1COC1 ZINC000528547252 388546170 /nfs/dbraw/zinc/54/61/70/388546170.db2.gz IMVVOYRVIGTUKW-JIOCBJNQSA-N -1 3 249.332 0.117 20 0 BCADHM CN(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000135010290 388482799 /nfs/dbraw/zinc/48/27/99/388482799.db2.gz DJANOIRXFTUMPW-UHFFFAOYSA-N -1 3 221.260 0.173 20 0 BCADHM CS(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000547819223 388488277 /nfs/dbraw/zinc/48/82/77/388488277.db2.gz FUFRCHWZYOKMIU-UHFFFAOYSA-N -1 3 238.272 0.639 20 0 BCADHM CNC(=O)[C@@H](C)CN(C)Cc1ncccc1[O-] ZINC000516814337 388518456 /nfs/dbraw/zinc/51/84/56/388518456.db2.gz OMPHNPVWQHMGLB-VIFPVBQESA-N -1 3 237.303 0.601 20 0 BCADHM O=C(N[C@@H]1CC[C@H]1O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000516937409 388525648 /nfs/dbraw/zinc/52/56/48/388525648.db2.gz FCABOHOMKCFYRE-VXNVDRBHSA-N -1 3 249.270 0.313 20 0 BCADHM C[C@@H]1CCN(CCNC(=O)c2ncccc2[O-])C1 ZINC000548306028 388528322 /nfs/dbraw/zinc/52/83/22/388528322.db2.gz DNPUGKSFEBRWRP-SNVBAGLBSA-N -1 3 249.314 0.859 20 0 BCADHM C[C@@H](O)CN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530165855 388618434 /nfs/dbraw/zinc/61/84/34/388618434.db2.gz IKWYUTYFESAKBC-GMSGAONNSA-N -1 3 225.244 0.644 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CCC(O)CC1 ZINC000220216217 388602823 /nfs/dbraw/zinc/60/28/23/388602823.db2.gz OYOQCEAKUSTZPM-UHFFFAOYSA-N -1 3 237.255 0.695 20 0 BCADHM C[C@H](CC(N)=O)NC(=O)c1c([O-])cccc1O ZINC000220245087 388602862 /nfs/dbraw/zinc/60/28/62/388602862.db2.gz PDNZXLPPORUWSI-ZCFIWIBFSA-N -1 3 238.243 0.092 20 0 BCADHM O=C(NCCc1nnc[nH]1)c1ccc(O)cc1[O-] ZINC000080581910 388559620 /nfs/dbraw/zinc/55/96/20/388559620.db2.gz BROOPMVCRUJUHV-UHFFFAOYSA-N -1 3 248.242 0.188 20 0 BCADHM Cc1ccc2c([O-])c(C(N)=O)cnc2n1 ZINC000080595310 388560698 /nfs/dbraw/zinc/56/06/98/388560698.db2.gz HZXRUCOPZUOSKD-UHFFFAOYSA-N -1 3 203.201 0.743 20 0 BCADHM O=C([O-])C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000364024398 388564006 /nfs/dbraw/zinc/56/40/06/388564006.db2.gz YPRZBYMETJTCQO-SNVBAGLBSA-N -1 3 240.303 0.548 20 0 BCADHM CCN(Cc1ncccc1[O-])[C@@H](C)CO ZINC000552124915 388670832 /nfs/dbraw/zinc/67/08/32/388670832.db2.gz XVGSBAIDFLREAP-VIFPVBQESA-N -1 3 210.277 0.990 20 0 BCADHM COC[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000125557703 388673460 /nfs/dbraw/zinc/67/34/60/388673460.db2.gz CHXUXVUCJNEYDS-SSDOTTSWSA-N -1 3 225.244 0.863 20 0 BCADHM CC[C@H](C)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530169215 388618701 /nfs/dbraw/zinc/61/87/01/388618701.db2.gz HUYAHPGCAHBTFB-YIZRAAEISA-N -1 3 201.266 0.959 20 0 BCADHM C[C@@H](NCc1n[nH]c(=O)[n-]1)C1CCOCC1 ZINC000328601326 388645682 /nfs/dbraw/zinc/64/56/82/388645682.db2.gz FGRRZQQMQAGIPB-SSDOTTSWSA-N -1 3 226.280 0.415 20 0 BCADHM O=S(=O)([N-][C@H]1CCCOCC1)c1c[nH]cn1 ZINC000328619660 388646361 /nfs/dbraw/zinc/64/63/61/388646361.db2.gz WEYWEJWMNHXXLG-QMMMGPOBSA-N -1 3 245.304 0.257 20 0 BCADHM OCc1nnc(Sc2ncc(Cl)cn2)[n-]1 ZINC000530373082 388653160 /nfs/dbraw/zinc/65/31/60/388653160.db2.gz MVRAEAXUNUWQKD-UHFFFAOYSA-N -1 3 243.679 0.892 20 0 BCADHM OCc1n[n-]c(Sc2ncc(Cl)cn2)n1 ZINC000530373082 388653163 /nfs/dbraw/zinc/65/31/63/388653163.db2.gz MVRAEAXUNUWQKD-UHFFFAOYSA-N -1 3 243.679 0.892 20 0 BCADHM OCc1nc(Sc2ncc(Cl)cn2)n[n-]1 ZINC000530373082 388653164 /nfs/dbraw/zinc/65/31/64/388653164.db2.gz MVRAEAXUNUWQKD-UHFFFAOYSA-N -1 3 243.679 0.892 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccn1 ZINC000522263393 388740785 /nfs/dbraw/zinc/74/07/85/388740785.db2.gz RPIKWPZWSYDSGM-SECBINFHSA-N -1 3 246.270 0.323 20 0 BCADHM C[C@]1(O)CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000227616974 388754117 /nfs/dbraw/zinc/75/41/17/388754117.db2.gz ZMHVMFYESDLGGF-LBPRGKRZSA-N -1 3 237.255 0.695 20 0 BCADHM COc1nnc(NC(=O)c2ccc(C)nc2)[n-]1 ZINC000126788132 388702896 /nfs/dbraw/zinc/70/28/96/388702896.db2.gz CYSGRXLXGBDQNR-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nc(NC(=O)c2ccc(C)nc2)n[n-]1 ZINC000126788132 388702898 /nfs/dbraw/zinc/70/28/98/388702898.db2.gz CYSGRXLXGBDQNR-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccc(C)nc2)n1 ZINC000126788132 388702900 /nfs/dbraw/zinc/70/29/00/388702900.db2.gz CYSGRXLXGBDQNR-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nnc(NC(=O)c2occc2C)[n-]1 ZINC000126836607 388705775 /nfs/dbraw/zinc/70/57/75/388705775.db2.gz VKXCPCRBIPFJJI-UHFFFAOYSA-N -1 3 222.204 0.967 20 0 BCADHM COc1nc(NC(=O)c2occc2C)n[n-]1 ZINC000126836607 388705778 /nfs/dbraw/zinc/70/57/78/388705778.db2.gz VKXCPCRBIPFJJI-UHFFFAOYSA-N -1 3 222.204 0.967 20 0 BCADHM COc1n[n-]c(NC(=O)c2occc2C)n1 ZINC000126836607 388705781 /nfs/dbraw/zinc/70/57/81/388705781.db2.gz VKXCPCRBIPFJJI-UHFFFAOYSA-N -1 3 222.204 0.967 20 0 BCADHM CO[C@@H](CNC(=O)c1c[n-]nn1)c1ccccc1 ZINC000193490603 388706399 /nfs/dbraw/zinc/70/63/99/388706399.db2.gz ZZWUJYRKOSIOSM-NSHDSACASA-N -1 3 246.270 0.922 20 0 BCADHM CO[C@@H](CNC(=O)c1cnn[n-]1)c1ccccc1 ZINC000193490603 388706402 /nfs/dbraw/zinc/70/64/02/388706402.db2.gz ZZWUJYRKOSIOSM-NSHDSACASA-N -1 3 246.270 0.922 20 0 BCADHM CO[C@@H](CNC(=O)c1cn[n-]n1)c1ccccc1 ZINC000193490603 388706404 /nfs/dbraw/zinc/70/64/04/388706404.db2.gz ZZWUJYRKOSIOSM-NSHDSACASA-N -1 3 246.270 0.922 20 0 BCADHM O=c1[n-]c(CN2CCC[C@H]3COCC[C@@H]32)n[nH]1 ZINC000540347060 388804434 /nfs/dbraw/zinc/80/44/34/388804434.db2.gz YOSZZEWGDPODAM-IUCAKERBSA-N -1 3 238.291 0.511 20 0 BCADHM C[C@H]1C[C@@H]1c1cc(NC(=O)c2cnn[n-]2)n[nH]1 ZINC000194544006 388816950 /nfs/dbraw/zinc/81/69/50/388816950.db2.gz ILDIITXFELCLRK-WDSKDSINSA-N -1 3 232.247 0.904 20 0 BCADHM C[C@H]1C[C@@H]1c1cc(NC(=O)c2c[n-]nn2)n[nH]1 ZINC000194544006 388816953 /nfs/dbraw/zinc/81/69/53/388816953.db2.gz ILDIITXFELCLRK-WDSKDSINSA-N -1 3 232.247 0.904 20 0 BCADHM C[C@H]1C[C@@H]1c1cc(NC(=O)c2cn[n-]n2)n[nH]1 ZINC000194544006 388816957 /nfs/dbraw/zinc/81/69/57/388816957.db2.gz ILDIITXFELCLRK-WDSKDSINSA-N -1 3 232.247 0.904 20 0 BCADHM CC[C@H](OC)C(=O)Nc1[n-]cnc1C(=O)OC ZINC000555511317 388852187 /nfs/dbraw/zinc/85/21/87/388852187.db2.gz BRPPWHRTYIMJFD-LURJTMIESA-N -1 3 241.247 0.560 20 0 BCADHM CC[C@H](OC)C(=O)Nc1nc[n-]c1C(=O)OC ZINC000555511317 388852191 /nfs/dbraw/zinc/85/21/91/388852191.db2.gz BRPPWHRTYIMJFD-LURJTMIESA-N -1 3 241.247 0.560 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)[C@H]1CC=CCC1 ZINC000565516289 388950514 /nfs/dbraw/zinc/95/05/14/388950514.db2.gz HVSBIPCOGJMNKY-LURJTMIESA-N -1 3 235.247 0.198 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)[C@H]1CC=CCC1 ZINC000565516289 388950518 /nfs/dbraw/zinc/95/05/18/388950518.db2.gz HVSBIPCOGJMNKY-LURJTMIESA-N -1 3 235.247 0.198 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)[C@H]1CC=CCC1 ZINC000565516289 388950520 /nfs/dbraw/zinc/95/05/20/388950520.db2.gz HVSBIPCOGJMNKY-LURJTMIESA-N -1 3 235.247 0.198 20 0 BCADHM C[C@H](C(=O)Nc1[n-]nnc1C(N)=O)C1CCC1 ZINC000565585274 388955940 /nfs/dbraw/zinc/95/59/40/388955940.db2.gz ZWCGVVMPJFPEIX-YFKPBYRVSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@H](C(=O)Nc1nn[n-]c1C(N)=O)C1CCC1 ZINC000565585274 388955943 /nfs/dbraw/zinc/95/59/43/388955943.db2.gz ZWCGVVMPJFPEIX-YFKPBYRVSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@H](C(=O)Nc1n[n-]nc1C(N)=O)C1CCC1 ZINC000565585274 388955945 /nfs/dbraw/zinc/95/59/45/388955945.db2.gz ZWCGVVMPJFPEIX-YFKPBYRVSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@H]1CN(C)CCN1C(=O)Cc1cncc([O-])c1 ZINC000565906070 388978186 /nfs/dbraw/zinc/97/81/86/388978186.db2.gz WHOPBXLNNVYESR-JTQLQIEISA-N -1 3 249.314 0.492 20 0 BCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000566059946 388985937 /nfs/dbraw/zinc/98/59/37/388985937.db2.gz JSTBCJNXMHVNAI-RQJHMYQMSA-N -1 3 235.243 0.237 20 0 BCADHM Cc1nc(C)c(CNC(=O)c2c[n-]nn2)s1 ZINC000266248972 388994785 /nfs/dbraw/zinc/99/47/85/388994785.db2.gz USTJYBOTYJFMBH-UHFFFAOYSA-N -1 3 237.288 0.808 20 0 BCADHM Cc1nc(C)c(CNC(=O)c2cnn[n-]2)s1 ZINC000266248972 388994787 /nfs/dbraw/zinc/99/47/87/388994787.db2.gz USTJYBOTYJFMBH-UHFFFAOYSA-N -1 3 237.288 0.808 20 0 BCADHM Cc1nc(C)c(CNC(=O)c2cn[n-]n2)s1 ZINC000266248972 388994789 /nfs/dbraw/zinc/99/47/89/388994789.db2.gz USTJYBOTYJFMBH-UHFFFAOYSA-N -1 3 237.288 0.808 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CO)c(F)c1 ZINC000269736622 389010467 /nfs/dbraw/zinc/01/04/67/389010467.db2.gz SQZRMDLQKGBXEO-MRVPVSSYSA-N -1 3 247.291 0.793 20 0 BCADHM COC[C@H](NCc1nc(=O)[n-][nH]1)c1ccccc1 ZINC000271770078 389022556 /nfs/dbraw/zinc/02/25/56/389022556.db2.gz FTOZIPQQULOQDF-JTQLQIEISA-N -1 3 248.286 0.575 20 0 BCADHM Cc1ccc([O-])c(CN[C@@]2(CO)CCOC2)n1 ZINC000273350771 389039627 /nfs/dbraw/zinc/03/96/27/389039627.db2.gz AZLLFCCPWKRJSO-GFCCVEGCSA-N -1 3 238.287 0.337 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)CC(C)(C)C ZINC000332511026 168208961 /nfs/dbraw/zinc/20/89/61/168208961.db2.gz XMDMJUHRWBCTRK-UHFFFAOYSA-N -1 3 221.322 0.931 20 0 BCADHM C[C@@H](CC(N)=O)NC(=O)/C=C/c1cncc([O-])c1 ZINC000493363228 533494770 /nfs/dbraw/zinc/49/47/70/533494770.db2.gz DYXFFTWGAUMQJB-SGJFDWMWSA-N -1 3 249.270 0.181 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000042237456 322837178 /nfs/dbraw/zinc/83/71/78/322837178.db2.gz QPIWZYLNPLQHJM-LURJTMIESA-N -1 3 239.227 0.389 20 0 BCADHM CC[C@@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)CCO1 ZINC000354526089 132269845 /nfs/dbraw/zinc/26/98/45/132269845.db2.gz KLNCIZGMIXBCDE-SSDOTTSWSA-N -1 3 248.290 0.332 20 0 BCADHM COCCCN1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000332406087 134005004 /nfs/dbraw/zinc/00/50/04/134005004.db2.gz LYFMWMCDCQUDOR-SECBINFHSA-N -1 3 239.323 0.401 20 0 BCADHM CSc1nnc(NC(=O)COC(F)F)[n-]1 ZINC000351956481 134016337 /nfs/dbraw/zinc/01/63/37/134016337.db2.gz BVGKCPZMEZODIJ-UHFFFAOYSA-N -1 3 238.219 0.704 20 0 BCADHM CSc1n[n-]c(NC(=O)COC(F)F)n1 ZINC000351956481 134016338 /nfs/dbraw/zinc/01/63/38/134016338.db2.gz BVGKCPZMEZODIJ-UHFFFAOYSA-N -1 3 238.219 0.704 20 0 BCADHM CSc1nc(NC(=O)COC(F)F)n[n-]1 ZINC000351956481 134016339 /nfs/dbraw/zinc/01/63/39/134016339.db2.gz BVGKCPZMEZODIJ-UHFFFAOYSA-N -1 3 238.219 0.704 20 0 BCADHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nn2)n1 ZINC000352039167 134045658 /nfs/dbraw/zinc/04/56/58/134045658.db2.gz CSGWZQPQYFKYTO-ONEGZZNKSA-N -1 3 217.232 0.790 20 0 BCADHM O=C(NCCF)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000336164772 134112605 /nfs/dbraw/zinc/11/26/05/134112605.db2.gz UAQASUAGSVCPID-UHFFFAOYSA-N -1 3 236.202 0.270 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CC2(C)CC2)c1 ZINC000358879505 134193166 /nfs/dbraw/zinc/19/31/66/134193166.db2.gz HRYLFGNAGBPOKB-UHFFFAOYSA-N -1 3 243.332 0.981 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000172889450 134270832 /nfs/dbraw/zinc/27/08/32/134270832.db2.gz CQBTVOGBXYLJHK-UHFFFAOYSA-N -1 3 246.336 0.856 20 0 BCADHM CC(C)NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179378772 134316831 /nfs/dbraw/zinc/31/68/31/134316831.db2.gz DQECBNNYUQTKKO-UHFFFAOYSA-N -1 3 234.259 0.812 20 0 BCADHM COc1nnc(NC(=O)COCC2CC2)[n-]1 ZINC000182998177 134349739 /nfs/dbraw/zinc/34/97/39/134349739.db2.gz KHVNNZOZCXPRCI-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM COc1nc(NC(=O)COCC2CC2)n[n-]1 ZINC000182998177 134349740 /nfs/dbraw/zinc/34/97/40/134349740.db2.gz KHVNNZOZCXPRCI-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM COc1n[n-]c(NC(=O)COCC2CC2)n1 ZINC000182998177 134349741 /nfs/dbraw/zinc/34/97/41/134349741.db2.gz KHVNNZOZCXPRCI-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM CN(C)c1cccc(NC(=O)c2cnn[n-]2)n1 ZINC000183973472 134355679 /nfs/dbraw/zinc/35/56/79/134355679.db2.gz OLZVXPIAWSBYAP-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CN(C)c1cccc(NC(=O)c2c[n-]nn2)n1 ZINC000183973472 134355680 /nfs/dbraw/zinc/35/56/80/134355680.db2.gz OLZVXPIAWSBYAP-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CN(C)c1cccc(NC(=O)c2cn[n-]n2)n1 ZINC000183973472 134355681 /nfs/dbraw/zinc/35/56/81/134355681.db2.gz OLZVXPIAWSBYAP-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM COc1nnc(NC(=O)c2cncs2)[n-]1 ZINC000226559618 134366081 /nfs/dbraw/zinc/36/60/81/134366081.db2.gz HLQRYOGZDGISTC-UHFFFAOYSA-N -1 3 225.233 0.522 20 0 BCADHM COc1n[n-]c(NC(=O)c2cncs2)n1 ZINC000226559618 134366082 /nfs/dbraw/zinc/36/60/82/134366082.db2.gz HLQRYOGZDGISTC-UHFFFAOYSA-N -1 3 225.233 0.522 20 0 BCADHM COc1nc(NC(=O)c2cncs2)n[n-]1 ZINC000226559618 134366083 /nfs/dbraw/zinc/36/60/83/134366083.db2.gz HLQRYOGZDGISTC-UHFFFAOYSA-N -1 3 225.233 0.522 20 0 BCADHM Cc1ccc([O-])c(CNC[C@H](O)C(F)F)n1 ZINC000226577478 134366883 /nfs/dbraw/zinc/36/68/83/134366883.db2.gz RZXYLTGIQUUVTN-VIFPVBQESA-N -1 3 232.230 0.811 20 0 BCADHM O=C(NC[C@@H](O)C(F)F)c1cccc([O-])c1 ZINC000227617532 134388342 /nfs/dbraw/zinc/38/83/42/134388342.db2.gz JEAUJEMIGHSFQU-MRVPVSSYSA-N -1 3 231.198 0.748 20 0 BCADHM CC[C@@H]1CN(CCC(=O)[O-])C[C@H](C)O1 ZINC000261530433 135158181 /nfs/dbraw/zinc/15/81/81/135158181.db2.gz ZVGRHOIDQRRULI-DTWKUNHWSA-N -1 3 201.266 0.960 20 0 BCADHM C[C@H]1CC[C@H](C)N1CC(=O)N(C)CC(=O)[O-] ZINC000261588908 135229536 /nfs/dbraw/zinc/22/95/36/135229536.db2.gz STLHHVLBQPUHCO-IUCAKERBSA-N -1 3 228.292 0.402 20 0 BCADHM CCS(=O)(=O)[N-]c1cccnc1NC(C)=O ZINC000342365781 135263721 /nfs/dbraw/zinc/26/37/21/135263721.db2.gz VGJBMZJWCJCPTO-UHFFFAOYSA-N -1 3 243.288 0.802 20 0 BCADHM C[C@@H]1CCC[C@@H](C)N(CC(=O)NCC(=O)[O-])C1 ZINC000262236836 135286015 /nfs/dbraw/zinc/28/60/15/135286015.db2.gz NZULCNBDADRLNK-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@H]1CCCN(CC(=O)NCC(=O)[O-])CC1 ZINC000262246925 135287023 /nfs/dbraw/zinc/28/70/23/135287023.db2.gz PUBZRAAMTYNIRN-JTQLQIEISA-N -1 3 242.319 0.699 20 0 BCADHM O=C([O-])CNC(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000262208386 135290689 /nfs/dbraw/zinc/29/06/89/135290689.db2.gz JJEOBVFEENETHL-VHSXEESVSA-N -1 3 240.303 0.452 20 0 BCADHM C[C@@H](C1CC1)N(CC(=O)NCC(=O)[O-])C1CC1 ZINC000262292710 135291629 /nfs/dbraw/zinc/29/16/29/135291629.db2.gz YVDIHJMDSANOKH-QMMMGPOBSA-N -1 3 240.303 0.450 20 0 BCADHM Cn1cc(C(=O)N[C@H]2C=CCCC2)c(=O)[n-]c1=O ZINC000334310834 135350606 /nfs/dbraw/zinc/35/06/06/135350606.db2.gz KYXGIBSRGQLLCT-QMMMGPOBSA-N -1 3 249.270 0.324 20 0 BCADHM CC(=O)N(C)CC(=O)Nc1cccc([O-])c1F ZINC000334359854 135371796 /nfs/dbraw/zinc/37/17/96/135371796.db2.gz XJGDFUQVIWZFEG-UHFFFAOYSA-N -1 3 240.234 0.948 20 0 BCADHM CC[C@H](NC(=O)c1c[n-]nn1)C(F)(F)F ZINC000348091077 136035290 /nfs/dbraw/zinc/03/52/90/136035290.db2.gz KIBVLHRDFLJOCX-YFKPBYRVSA-N -1 3 222.170 0.875 20 0 BCADHM CC[C@H](NC(=O)c1cnn[n-]1)C(F)(F)F ZINC000348091077 136035291 /nfs/dbraw/zinc/03/52/91/136035291.db2.gz KIBVLHRDFLJOCX-YFKPBYRVSA-N -1 3 222.170 0.875 20 0 BCADHM CC[C@H](NC(=O)c1cn[n-]n1)C(F)(F)F ZINC000348091077 136035292 /nfs/dbraw/zinc/03/52/92/136035292.db2.gz KIBVLHRDFLJOCX-YFKPBYRVSA-N -1 3 222.170 0.875 20 0 BCADHM CC[C@@H]1C[C@H](C)CN1Cc1nc(=O)n(C)[n-]1 ZINC000335329325 136052996 /nfs/dbraw/zinc/05/29/96/136052996.db2.gz MYVPMNPIPSNEEW-DTWKUNHWSA-N -1 3 224.308 0.729 20 0 BCADHM CSc1nnc(NC(=O)c2cncn2C)[n-]1 ZINC000348265308 136058516 /nfs/dbraw/zinc/05/85/16/136058516.db2.gz GDAYYMYTTYAGOU-UHFFFAOYSA-N -1 3 238.276 0.512 20 0 BCADHM CSc1n[n-]c(NC(=O)c2cncn2C)n1 ZINC000348265308 136058517 /nfs/dbraw/zinc/05/85/17/136058517.db2.gz GDAYYMYTTYAGOU-UHFFFAOYSA-N -1 3 238.276 0.512 20 0 BCADHM CSc1nc(NC(=O)c2cncn2C)n[n-]1 ZINC000348265308 136058518 /nfs/dbraw/zinc/05/85/18/136058518.db2.gz GDAYYMYTTYAGOU-UHFFFAOYSA-N -1 3 238.276 0.512 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H]1O ZINC000335378470 136086328 /nfs/dbraw/zinc/08/63/28/136086328.db2.gz RTAVNKJMSHIOJB-MWLCHTKSSA-N -1 3 239.246 0.713 20 0 BCADHM CN(Cc1cc([O-])cc(F)c1)[C@H]1COC[C@H]1O ZINC000348631851 136105342 /nfs/dbraw/zinc/10/53/42/136105342.db2.gz FYZSJNAYTCELBJ-NWDGAFQWSA-N -1 3 241.262 0.723 20 0 BCADHM C[C@@H](C(=O)N(CCN(C)C)CC(=O)[O-])C1CC1 ZINC000225906543 322857162 /nfs/dbraw/zinc/85/71/62/322857162.db2.gz WRNLOROZUQMROF-SECBINFHSA-N -1 3 242.319 0.507 20 0 BCADHM CC[C@H](CN=c1ncnc2[nH][n-]cc1-2)C(=O)OC ZINC000591975338 397939836 /nfs/dbraw/zinc/93/98/36/397939836.db2.gz OTKJFSHFGWRMBE-SSDOTTSWSA-N -1 3 249.274 0.338 20 0 BCADHM Cc1ccc([O-])c(NC(=O)Cn2ccnc2)n1 ZINC000360783341 397967347 /nfs/dbraw/zinc/96/73/47/397967347.db2.gz RCJAKTAPLMLZNC-UHFFFAOYSA-N -1 3 232.243 0.931 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@@H](O)C3(CC3)C2)n1 ZINC000372296577 398000815 /nfs/dbraw/zinc/00/08/15/398000815.db2.gz RRABNXIZQTZISJ-SNVBAGLBSA-N -1 3 249.314 0.701 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1ccco1)[C@@H]1CCOC1 ZINC000275492402 398021731 /nfs/dbraw/zinc/02/17/31/398021731.db2.gz PPWMIEBEOQHUNP-RKDXNWHRSA-N -1 3 245.300 0.983 20 0 BCADHM O=S(=O)([N-][C@@H]1CCCOC1)c1cscn1 ZINC000564906965 398048887 /nfs/dbraw/zinc/04/88/87/398048887.db2.gz BSZWFZZCKRKJFL-SSDOTTSWSA-N -1 3 248.329 0.600 20 0 BCADHM COC(=O)c1cc(CO[N-]C(C)=O)oc1C ZINC000271722496 397971328 /nfs/dbraw/zinc/97/13/28/397971328.db2.gz KPFKREBIZXVHBB-UHFFFAOYSA-N -1 3 227.216 0.942 20 0 BCADHM COC(=O)NCC(=O)Nc1ccc([O-])cc1F ZINC000183247626 398088764 /nfs/dbraw/zinc/08/87/64/398088764.db2.gz WILMYPKRPBRQHY-UHFFFAOYSA-N -1 3 242.206 0.826 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1C ZINC000091437569 398128810 /nfs/dbraw/zinc/12/88/10/398128810.db2.gz KMYWQUXADCJROL-VHSXEESVSA-N -1 3 249.314 1.000 20 0 BCADHM COc1nnc(NC(=O)[C@H](C)CSC)[n-]1 ZINC000179369756 175393234 /nfs/dbraw/zinc/39/32/34/175393234.db2.gz YQRGDFHOWSCFQL-RXMQYKEDSA-N -1 3 230.293 0.751 20 0 BCADHM COc1nc(NC(=O)[C@H](C)CSC)n[n-]1 ZINC000179369756 175393235 /nfs/dbraw/zinc/39/32/35/175393235.db2.gz YQRGDFHOWSCFQL-RXMQYKEDSA-N -1 3 230.293 0.751 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](C)CSC)n1 ZINC000179369756 175393237 /nfs/dbraw/zinc/39/32/37/175393237.db2.gz YQRGDFHOWSCFQL-RXMQYKEDSA-N -1 3 230.293 0.751 20 0 BCADHM CCN1CC[C@H](NC(=O)c2cccc([O-])c2)C1=O ZINC000670171073 487570565 /nfs/dbraw/zinc/57/05/65/487570565.db2.gz DECKBJGIGNCPPM-NSHDSACASA-N -1 3 248.282 0.743 20 0 BCADHM CCCC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662754396 409883498 /nfs/dbraw/zinc/88/34/98/409883498.db2.gz MKWMPFDDOLZSAG-UHFFFAOYSA-N -1 3 224.264 0.057 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCC[C@H]1O ZINC000655406068 410210921 /nfs/dbraw/zinc/21/09/21/410210921.db2.gz XKEXZQGQRDGASJ-GHMZBOCLSA-N -1 3 236.271 0.359 20 0 BCADHM C[C@H](C[C@H](C)O)NC(=O)Cc1cncc([O-])c1 ZINC000655392845 410194799 /nfs/dbraw/zinc/19/47/99/410194799.db2.gz AUBFZRWJXBGPHP-BDAKNGLRSA-N -1 3 238.287 0.605 20 0 BCADHM CC[C@H](CNC(=O)Cc1cncc([O-])c1)OC ZINC000655400425 410204734 /nfs/dbraw/zinc/20/47/34/410204734.db2.gz YRXOUVSHXNKOKV-LLVKDONJSA-N -1 3 238.287 0.871 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCO[C@H]2C[C@H]21 ZINC000655402730 410209259 /nfs/dbraw/zinc/20/92/59/410209259.db2.gz PAVZNBTUVXKRGT-MNOVXSKESA-N -1 3 234.255 0.329 20 0 BCADHM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccco1 ZINC000275429621 167392633 /nfs/dbraw/zinc/39/26/33/167392633.db2.gz DYYJBSIRTMPFIF-SECBINFHSA-N -1 3 247.316 0.965 20 0 BCADHM Cc1ccc([O-])c(CN[C@H](CO)CCF)n1 ZINC000652017337 410983152 /nfs/dbraw/zinc/98/31/52/410983152.db2.gz UFLKTRJUZSKGGH-VIFPVBQESA-N -1 3 228.267 0.906 20 0 BCADHM C[C@H](CNC(=O)c1c[n-]nn1)c1ccccn1 ZINC000617080722 411139843 /nfs/dbraw/zinc/13/98/43/411139843.db2.gz IXNWPKWIIJMCKY-MRVPVSSYSA-N -1 3 231.259 0.733 20 0 BCADHM C[C@H](CNC(=O)c1cnn[n-]1)c1ccccn1 ZINC000617080722 411139844 /nfs/dbraw/zinc/13/98/44/411139844.db2.gz IXNWPKWIIJMCKY-MRVPVSSYSA-N -1 3 231.259 0.733 20 0 BCADHM C[C@H](CNC(=O)c1cn[n-]n1)c1ccccn1 ZINC000617080722 411139845 /nfs/dbraw/zinc/13/98/45/411139845.db2.gz IXNWPKWIIJMCKY-MRVPVSSYSA-N -1 3 231.259 0.733 20 0 BCADHM O=S(=O)([N-][C@@H](CO)CCF)c1ccccn1 ZINC000651893787 411149296 /nfs/dbraw/zinc/14/92/96/411149296.db2.gz GOWAGMNIOIZFOI-MRVPVSSYSA-N -1 3 248.279 0.080 20 0 BCADHM O=S(=O)(CC1CC1)[N-]C[C@@H](O)C(F)(F)F ZINC000228543345 411184459 /nfs/dbraw/zinc/18/44/59/411184459.db2.gz NLEYYWSHJTXICW-ZCFIWIBFSA-N -1 3 247.238 0.239 20 0 BCADHM O=C(Cn1cncn1)Nc1ccccc1[O-] ZINC000656502134 411289475 /nfs/dbraw/zinc/28/94/75/411289475.db2.gz OZFRUZDEEXENAO-UHFFFAOYSA-N -1 3 218.216 0.622 20 0 BCADHM C[C@H](C(=O)[O-])C(=O)N(C)CCN1CCCCC1 ZINC000653335767 411329596 /nfs/dbraw/zinc/32/95/96/411329596.db2.gz WOOIOOZRGXWULN-JTQLQIEISA-N -1 3 242.319 0.651 20 0 BCADHM CN(CCN1CCCCC1)C(=O)CCC(=O)[O-] ZINC000653335603 411329999 /nfs/dbraw/zinc/32/99/99/411329999.db2.gz SIEJPCKKDATHIA-UHFFFAOYSA-N -1 3 242.319 0.796 20 0 BCADHM Cc1c(=O)[n-]cnc1NC[C@@]1(O)CCCOC1 ZINC000656700512 411325746 /nfs/dbraw/zinc/32/57/46/411325746.db2.gz PMTWEJVSMOWLPD-NSHDSACASA-N -1 3 239.275 0.444 20 0 BCADHM Cc1nccc(CN2CC3CC2(C(=O)[O-])C3)n1 ZINC000656759771 411355379 /nfs/dbraw/zinc/35/53/79/411355379.db2.gz FXNZSJFEDALWLJ-UHFFFAOYSA-N -1 3 233.271 0.834 20 0 BCADHM C[C@H](CCO)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000652960124 411369318 /nfs/dbraw/zinc/36/93/18/411369318.db2.gz UIUGYCYXLXYDSX-MRVPVSSYSA-N -1 3 239.271 0.941 20 0 BCADHM CN(C)CCn1[n-]c2c(c1=O)CCCC2 ZINC000054433575 411338331 /nfs/dbraw/zinc/33/83/31/411338331.db2.gz ZPKUIOAMTWCOKN-VIFPVBQESA-N -1 3 209.293 0.936 20 0 BCADHM CC1(CNC(=O)c2c[n-]nn2)CCOCC1 ZINC000227819054 168036171 /nfs/dbraw/zinc/03/61/71/168036171.db2.gz XUMZOOMVFWETHO-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM CC1(CNC(=O)c2cnn[n-]2)CCOCC1 ZINC000227819054 168036174 /nfs/dbraw/zinc/03/61/74/168036174.db2.gz XUMZOOMVFWETHO-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM CC1(CNC(=O)c2cn[n-]n2)CCOCC1 ZINC000227819054 168036179 /nfs/dbraw/zinc/03/61/79/168036179.db2.gz XUMZOOMVFWETHO-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM Cc1ncc(CN2CC3CC2(C(=O)[O-])C3)cn1 ZINC000656762025 411347356 /nfs/dbraw/zinc/34/73/56/411347356.db2.gz ZMONWGGNZDCRDS-UHFFFAOYSA-N -1 3 233.271 0.834 20 0 BCADHM O=C([O-])C12CC(C1)CN2C[C@H](O)C(F)(F)F ZINC000656761263 411347403 /nfs/dbraw/zinc/34/74/03/411347403.db2.gz QXOHRHCICLLRIL-PIJYJLRNSA-N -1 3 239.193 0.459 20 0 BCADHM CC1(O)CN(C(=O)c2csc(=O)[n-]2)C1 ZINC000328713045 168070266 /nfs/dbraw/zinc/07/02/66/168070266.db2.gz RWJPSTDLPILZKT-UHFFFAOYSA-N -1 3 214.246 0.056 20 0 BCADHM CC1=CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000329017845 168105990 /nfs/dbraw/zinc/10/59/90/168105990.db2.gz KTLUPFAXUXIYOC-QMMMGPOBSA-N -1 3 237.259 0.808 20 0 BCADHM C[C@@H](CNC(=O)C(=O)[O-])N1CCC(C)CC1 ZINC000309682223 168186990 /nfs/dbraw/zinc/18/69/90/168186990.db2.gz NMUOVKRRNBRCNS-VIFPVBQESA-N -1 3 228.292 0.308 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000330943482 168208907 /nfs/dbraw/zinc/20/89/07/168208907.db2.gz DMGBNIRTPLAGOB-SNVBAGLBSA-N -1 3 249.332 0.454 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)C(N)C(F)(F)F ZINC000656855927 411385478 /nfs/dbraw/zinc/38/54/78/411385478.db2.gz VFMLUXXZUSUVAQ-RFZPGFLSSA-N -1 3 242.197 0.198 20 0 BCADHM O=C(NC1CC2(CCC2)C1)c1c[n-]nn1 ZINC000652973215 411386953 /nfs/dbraw/zinc/38/69/53/411386953.db2.gz DOMQNUNOUUMFOG-UHFFFAOYSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(NC1CC2(CCC2)C1)c1cnn[n-]1 ZINC000652973215 411386955 /nfs/dbraw/zinc/38/69/55/411386955.db2.gz DOMQNUNOUUMFOG-UHFFFAOYSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(NC1CC2(CCC2)C1)c1cn[n-]n1 ZINC000652973215 411386958 /nfs/dbraw/zinc/38/69/58/411386958.db2.gz DOMQNUNOUUMFOG-UHFFFAOYSA-N -1 3 206.249 0.867 20 0 BCADHM CCC(C)(C)NC(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC000062134204 168290866 /nfs/dbraw/zinc/29/08/66/168290866.db2.gz MODGUMHTXIRXEB-VIFPVBQESA-N -1 3 242.319 0.698 20 0 BCADHM COC(=O)c1ccc(C(=O)Nc2n[nH]c(C)n2)[n-]1 ZINC000339921835 411393580 /nfs/dbraw/zinc/39/35/80/411393580.db2.gz GYZSCHHLSBGZDU-UHFFFAOYSA-N -1 3 249.230 0.480 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1ccn(C)n1)C1CC1 ZINC000657172866 411414149 /nfs/dbraw/zinc/41/41/49/411414149.db2.gz KEUZIYROUFCHTG-VIFPVBQESA-N -1 3 243.332 0.887 20 0 BCADHM Cc1n[nH]c(C(=O)NC(C)(C)CN(C)C)c1[O-] ZINC000654659077 411423905 /nfs/dbraw/zinc/42/39/05/411423905.db2.gz YLEOMILPNWZLCQ-UHFFFAOYSA-N -1 3 240.307 0.494 20 0 BCADHM Cc1cc([N-]C(=O)Cn2nc(C)oc2=O)on1 ZINC000657278701 411439252 /nfs/dbraw/zinc/43/92/52/411439252.db2.gz KMHHGTMXINPRDQ-UHFFFAOYSA-N -1 3 238.203 0.080 20 0 BCADHM C[C@H]1SCC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000307752945 411484520 /nfs/dbraw/zinc/48/45/20/411484520.db2.gz UFJYGXSCXIFGGY-RITPCOANSA-N -1 3 212.278 0.429 20 0 BCADHM C[C@H]1SCC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000307752945 411484522 /nfs/dbraw/zinc/48/45/22/411484522.db2.gz UFJYGXSCXIFGGY-RITPCOANSA-N -1 3 212.278 0.429 20 0 BCADHM C[C@H]1SCC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000307752945 411484525 /nfs/dbraw/zinc/48/45/25/411484525.db2.gz UFJYGXSCXIFGGY-RITPCOANSA-N -1 3 212.278 0.429 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@]2(C)CC2(C)C)c1 ZINC000660047566 411530941 /nfs/dbraw/zinc/53/09/41/411530941.db2.gz DEXPVMJXAUVZFQ-SNVBAGLBSA-N -1 3 243.332 0.887 20 0 BCADHM CCN1CN(C(=O)c2csc(=O)[n-]2)CC1=O ZINC000329923850 170026411 /nfs/dbraw/zinc/02/64/11/170026411.db2.gz ISENGTARMSJISJ-UHFFFAOYSA-N -1 3 241.272 0.111 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C2CC(C)(C)C2)n1 ZINC000660128673 411541995 /nfs/dbraw/zinc/54/19/95/411541995.db2.gz XTXJMHLLCQOTJB-UHFFFAOYSA-N -1 3 243.332 0.887 20 0 BCADHM CCNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000035137581 170063889 /nfs/dbraw/zinc/06/38/89/170063889.db2.gz JNOWUAAPUOYCQV-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM CCNC(=O)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000042209857 170094233 /nfs/dbraw/zinc/09/42/33/170094233.db2.gz AXJXSFAVZHIFRP-QMMMGPOBSA-N -1 3 236.271 0.647 20 0 BCADHM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000331182899 170094684 /nfs/dbraw/zinc/09/46/84/170094684.db2.gz XQMODZMFKNSLHV-ZETCQYMHSA-N -1 3 246.288 0.083 20 0 BCADHM CC[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000166899265 170136037 /nfs/dbraw/zinc/13/60/37/170136037.db2.gz INFTXCANQIDFIS-UHFFFAOYSA-N -1 3 247.272 0.673 20 0 BCADHM CCOC(=O)CC[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000131124159 170210696 /nfs/dbraw/zinc/21/06/96/170210696.db2.gz BMZUTBJWWRFXKU-SSDOTTSWSA-N -1 3 240.263 0.266 20 0 BCADHM CCOC(=O)CC[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000131124159 170210699 /nfs/dbraw/zinc/21/06/99/170210699.db2.gz BMZUTBJWWRFXKU-SSDOTTSWSA-N -1 3 240.263 0.266 20 0 BCADHM CCOC(=O)CC[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000131124159 170210701 /nfs/dbraw/zinc/21/07/01/170210701.db2.gz BMZUTBJWWRFXKU-SSDOTTSWSA-N -1 3 240.263 0.266 20 0 BCADHM CCOC(=O)CSc1ncc(C(=O)OC)[n-]1 ZINC000278761482 170229992 /nfs/dbraw/zinc/22/99/92/170229992.db2.gz XGMNZNMGUDQQHV-UHFFFAOYSA-N -1 3 244.272 0.852 20 0 BCADHM CN(CCCCCO)Cc1n[n-]c(=O)o1 ZINC000660848313 411655415 /nfs/dbraw/zinc/65/54/15/411655415.db2.gz GIEMLYPFHILYJR-UHFFFAOYSA-N -1 3 215.253 0.370 20 0 BCADHM COCC[C@@H](C)N(C)Cc1n[n-]c(=O)o1 ZINC000660848101 411657565 /nfs/dbraw/zinc/65/75/65/411657565.db2.gz MHEDDEYHBVZQAH-SSDOTTSWSA-N -1 3 215.253 0.632 20 0 BCADHM COc1cc(C)nc(C[N-]c2nnco2)c1 ZINC000336697305 411685773 /nfs/dbraw/zinc/68/57/73/411685773.db2.gz MHHPSKZSIBZBMD-UHFFFAOYSA-N -1 3 220.232 1.394 20 0 BCADHM COc1cc(C)nc([N-]c2ccn(CCO)n2)n1 ZINC000608085571 411685914 /nfs/dbraw/zinc/68/59/14/411685914.db2.gz BNQNDGUHTKXUEO-UHFFFAOYSA-N -1 3 249.274 0.726 20 0 BCADHM OCc1nnc([N-]Cc2cccc3nccn32)o1 ZINC000340690228 411692078 /nfs/dbraw/zinc/69/20/78/411692078.db2.gz ODAYIUIZFYLZGQ-UHFFFAOYSA-N -1 3 245.242 0.822 20 0 BCADHM CC[C@@H](C)n1nc(NC(=O)c2cnn[n-]2)cc1C ZINC000330697633 411728479 /nfs/dbraw/zinc/72/84/79/411728479.db2.gz VQJOEWHGZXUJKI-SSDOTTSWSA-N -1 3 248.290 1.533 20 0 BCADHM CC[C@@H](C)n1nc(NC(=O)c2c[n-]nn2)cc1C ZINC000330697633 411728483 /nfs/dbraw/zinc/72/84/83/411728483.db2.gz VQJOEWHGZXUJKI-SSDOTTSWSA-N -1 3 248.290 1.533 20 0 BCADHM CC[C@@H](C)n1nc(NC(=O)c2cn[n-]n2)cc1C ZINC000330697633 411728488 /nfs/dbraw/zinc/72/84/88/411728488.db2.gz VQJOEWHGZXUJKI-SSDOTTSWSA-N -1 3 248.290 1.533 20 0 BCADHM Cc1cnc(NCCCc2c[n-][nH]c2=O)nc1 ZINC000631362215 411738386 /nfs/dbraw/zinc/73/83/86/411738386.db2.gz QLWPIHYBTOPHDP-SECBINFHSA-N -1 3 233.275 0.709 20 0 BCADHM CC(C)(CNC(=O)c1c[n-]nn1)OCC1CC1 ZINC000665648991 411756528 /nfs/dbraw/zinc/75/65/28/411756528.db2.gz HCVBJESSIFXEBR-UHFFFAOYSA-N -1 3 238.291 0.740 20 0 BCADHM CC(C)(CNC(=O)c1cnn[n-]1)OCC1CC1 ZINC000665648991 411756530 /nfs/dbraw/zinc/75/65/30/411756530.db2.gz HCVBJESSIFXEBR-UHFFFAOYSA-N -1 3 238.291 0.740 20 0 BCADHM CC(C)(CNC(=O)c1cn[n-]n1)OCC1CC1 ZINC000665648991 411756534 /nfs/dbraw/zinc/75/65/34/411756534.db2.gz HCVBJESSIFXEBR-UHFFFAOYSA-N -1 3 238.291 0.740 20 0 BCADHM COc1ccnc(NCCc2c(C)[n-][nH]c2=O)n1 ZINC000524372477 411761834 /nfs/dbraw/zinc/76/18/34/411761834.db2.gz VNJSMYSEVWAWEI-MRVPVSSYSA-N -1 3 249.274 0.409 20 0 BCADHM CCc1cc(NCCCc2c[n-][nH]c2=O)ncn1 ZINC000631360628 411768826 /nfs/dbraw/zinc/76/88/26/411768826.db2.gz FWQBNXKBTGIXMQ-VIFPVBQESA-N -1 3 247.302 0.963 20 0 BCADHM Cc1oc(C(=O)[N-]c2ncn(C)n2)cc1CO ZINC000633193901 411818090 /nfs/dbraw/zinc/81/80/90/411818090.db2.gz TYLFNQPUEACTEJ-UHFFFAOYSA-N -1 3 236.231 0.461 20 0 BCADHM Cc1nonc1[N-]C(=O)c1occ2c1CCOC2 ZINC000367948073 411818405 /nfs/dbraw/zinc/81/84/05/411818405.db2.gz PKURTNZCNLALFU-UHFFFAOYSA-N -1 3 249.226 1.296 20 0 BCADHM Cn1c(NC(=O)c2nc[n-]n2)nnc1C1CC1 ZINC000617286549 411829088 /nfs/dbraw/zinc/82/90/88/411829088.db2.gz SQOLMRGMJRITGK-UHFFFAOYSA-N -1 3 233.235 0.063 20 0 BCADHM CC1(C)C[C@H]1CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000546182980 411887545 /nfs/dbraw/zinc/88/75/45/411887545.db2.gz WQZZZEHXJDUJED-LURJTMIESA-N -1 3 232.291 0.767 20 0 BCADHM CCC1(CN=c2nc3[nH][n-]cc-3c(N)n2)CC1 ZINC000544847584 411892377 /nfs/dbraw/zinc/89/23/77/411892377.db2.gz KDLVPQIKQJEBHV-UHFFFAOYSA-N -1 3 232.291 0.911 20 0 BCADHM C[C@@]1(CN=c2nc3[nH][n-]cc-3c(N)n2)CCOC1 ZINC000544845262 411917442 /nfs/dbraw/zinc/91/74/42/411917442.db2.gz XYVYYCRJVNVVTM-NSHDSACASA-N -1 3 248.290 0.147 20 0 BCADHM Nc1nc(=NCCCC2CC2)nc2[nH][n-]cc1-2 ZINC000544848019 411924999 /nfs/dbraw/zinc/92/49/99/411924999.db2.gz ZFGNUIHPBHEWGG-UHFFFAOYSA-N -1 3 232.291 0.911 20 0 BCADHM Nc1nc(=N[C@H]2CCC[C@H]2F)nc2[nH][n-]cc1-2 ZINC000338824764 411925533 /nfs/dbraw/zinc/92/55/33/411925533.db2.gz QHGNRQIXIGEPLH-RQJHMYQMSA-N -1 3 236.254 0.611 20 0 BCADHM C[C@H]1C[C@H](N=c2nc3[nH][n-]cc-3c(N)n2)CCO1 ZINC000354578655 411931551 /nfs/dbraw/zinc/93/15/51/411931551.db2.gz ZHNREGNOOTZTRQ-NKWVEPMBSA-N -1 3 248.290 0.288 20 0 BCADHM CC[C@@H](OC)C(=O)[N-]c1nncn1CC ZINC000330630827 170944570 /nfs/dbraw/zinc/94/45/70/170944570.db2.gz DORZIWAAZDIBJO-SSDOTTSWSA-N -1 3 212.253 0.662 20 0 BCADHM CCCN(CCC)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662202582 412024150 /nfs/dbraw/zinc/02/41/50/412024150.db2.gz ZXOOOJWBCGKVCP-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM CC[C@@H](C)N(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662204050 412024698 /nfs/dbraw/zinc/02/46/98/412024698.db2.gz SXMGKWFCIHFHMG-RKDXNWHRSA-N -1 3 228.292 0.402 20 0 BCADHM CC(C)[C@H](C)N(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662204714 412025590 /nfs/dbraw/zinc/02/55/90/412025590.db2.gz VPRKVQWEMAEGPE-UWVGGRQHSA-N -1 3 242.319 0.648 20 0 BCADHM CCC[C@H](C)N(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662205702 412025911 /nfs/dbraw/zinc/02/59/11/412025911.db2.gz ZGVHKBFPLAJWBS-UWVGGRQHSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H]1C[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000348183990 171121881 /nfs/dbraw/zinc/12/18/81/171121881.db2.gz NTJXPWYIRCFXFL-SVRRBLITSA-N -1 3 203.249 0.937 20 0 BCADHM CC[C@@](C)([N-]S(=O)(=O)CC1CC1)C(=O)OC ZINC000331786834 171175622 /nfs/dbraw/zinc/17/56/22/171175622.db2.gz OKGLEKXTBVLGSX-SNVBAGLBSA-N -1 3 249.332 0.658 20 0 BCADHM CC[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000307287192 171338533 /nfs/dbraw/zinc/33/85/33/171338533.db2.gz TZBPJAWFNQHGEW-YFKPBYRVSA-N -1 3 200.263 0.965 20 0 BCADHM CC[C@H](C)[C@H](C)NCc1nn(C)c(=O)[n-]1 ZINC000308941351 171389965 /nfs/dbraw/zinc/38/99/65/171389965.db2.gz MJHSAZZJCCTILG-YUMQZZPRSA-N -1 3 212.297 0.633 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)CN(CC)CC)C(=O)[O-] ZINC000236948243 171397931 /nfs/dbraw/zinc/39/79/31/171397931.db2.gz JGWJXPSSBOMEIF-ONGXEEELSA-N -1 3 244.335 0.944 20 0 BCADHM CC(=O)c1ccc(C(=O)NCCO)cc1[O-] ZINC000665095472 412091626 /nfs/dbraw/zinc/09/16/26/412091626.db2.gz MCQCEWMIQBWNMB-UHFFFAOYSA-N -1 3 223.228 0.317 20 0 BCADHM FC(F)(F)c1nnc(CNc2cnccn2)[n-]1 ZINC000359700297 412207963 /nfs/dbraw/zinc/20/79/63/412207963.db2.gz NRFFWJHJNVNOQM-UHFFFAOYSA-N -1 3 244.180 1.226 20 0 BCADHM FC(F)(F)c1nc(CNc2cnccn2)n[n-]1 ZINC000359700297 412207966 /nfs/dbraw/zinc/20/79/66/412207966.db2.gz NRFFWJHJNVNOQM-UHFFFAOYSA-N -1 3 244.180 1.226 20 0 BCADHM FC(F)(F)c1n[n-]c(CNc2cnccn2)n1 ZINC000359700297 412207968 /nfs/dbraw/zinc/20/79/68/412207968.db2.gz NRFFWJHJNVNOQM-UHFFFAOYSA-N -1 3 244.180 1.226 20 0 BCADHM Cn1cnnc1[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000519799484 412162318 /nfs/dbraw/zinc/16/23/18/412162318.db2.gz YKAODHFORJLOEF-UHFFFAOYSA-N -1 3 249.278 0.414 20 0 BCADHM Cc1[nH]nc(NC(=O)[N-]c2cnns2)c1C ZINC000558420480 412281220 /nfs/dbraw/zinc/28/12/20/412281220.db2.gz SSQNECMLPSDKBU-UHFFFAOYSA-N -1 3 238.276 1.522 20 0 BCADHM CNc1ccc(C(=O)Nc2ncccc2[O-])cn1 ZINC000354611908 412310778 /nfs/dbraw/zinc/31/07/78/412310778.db2.gz JXWRRPPRVKWERG-UHFFFAOYSA-N -1 3 244.254 1.476 20 0 BCADHM O=C(NCc1ncccc1[O-])Nc1ccon1 ZINC000346882402 412339789 /nfs/dbraw/zinc/33/97/89/412339789.db2.gz FNTSPOVRXOPSQW-UHFFFAOYSA-N -1 3 234.215 1.097 20 0 BCADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@H]1CCOC1 ZINC000647797430 412344067 /nfs/dbraw/zinc/34/40/67/412344067.db2.gz NAWIJSPTZFKTEW-ZETCQYMHSA-N -1 3 247.254 1.244 20 0 BCADHM N[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1F ZINC000662946027 412351316 /nfs/dbraw/zinc/35/13/16/412351316.db2.gz ZNTGTDACNPSUJP-HTQZYQBOSA-N -1 3 239.250 0.299 20 0 BCADHM O=C(Nc1ccc(Cl)cc1[O-])C1(O)CNC1 ZINC000662787045 412302063 /nfs/dbraw/zinc/30/20/63/412302063.db2.gz CRXSSFFGWUOIFB-UHFFFAOYSA-N -1 3 242.662 0.318 20 0 BCADHM Cc1cc(C(=O)[N-]c2nnc(C)n2C2CC2)on1 ZINC000329040332 412304849 /nfs/dbraw/zinc/30/48/49/412304849.db2.gz HYOHUQZFISMNHU-UHFFFAOYSA-N -1 3 247.258 1.470 20 0 BCADHM CCc1nnc(SCc2nc(=O)n(C)[n-]2)[nH]1 ZINC000329803794 172001155 /nfs/dbraw/zinc/00/11/55/172001155.db2.gz ZTPAJVPUHGEKHF-UHFFFAOYSA-N -1 3 240.292 0.081 20 0 BCADHM CCc1nc(SCc2nc(=O)n(C)[n-]2)n[nH]1 ZINC000329803794 172001158 /nfs/dbraw/zinc/00/11/58/172001158.db2.gz ZTPAJVPUHGEKHF-UHFFFAOYSA-N -1 3 240.292 0.081 20 0 BCADHM CCc1nn(C)cc1[N-]S(=O)(=O)N(C)CC ZINC000271350298 172042575 /nfs/dbraw/zinc/04/25/75/172042575.db2.gz FXDLANWSKYBPPS-UHFFFAOYSA-N -1 3 246.336 0.591 20 0 BCADHM CCc1nn(C)cc1[N-]S(C)(=O)=O ZINC000222859672 172043141 /nfs/dbraw/zinc/04/31/41/172043141.db2.gz YZNKPEIMSXSFMB-UHFFFAOYSA-N -1 3 203.267 0.354 20 0 BCADHM CCc1ocnc1C(=O)[N-]c1n[nH]c(C)n1 ZINC000265729048 172123503 /nfs/dbraw/zinc/12/35/03/172123503.db2.gz ALIPBUCPOBRDFF-UHFFFAOYSA-N -1 3 221.220 0.916 20 0 BCADHM CCc1ocnc1C(=O)[N-]c1nc[nH]n1 ZINC000265757973 172124481 /nfs/dbraw/zinc/12/44/81/172124481.db2.gz GFCZBKHYCRBMFJ-UHFFFAOYSA-N -1 3 207.193 0.607 20 0 BCADHM CCn1c(=O)[n-]nc1SC[C@H]1COCCO1 ZINC000329255919 172146333 /nfs/dbraw/zinc/14/63/33/172146333.db2.gz XIYOJGUAOGFPNU-SSDOTTSWSA-N -1 3 245.304 0.511 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H](O)CCSC ZINC000330632032 172240156 /nfs/dbraw/zinc/24/01/56/172240156.db2.gz HDMXIYXUZGKILS-SSDOTTSWSA-N -1 3 244.320 0.351 20 0 BCADHM CCn1nccc1NC(=O)c1nnc[n-]1 ZINC000358551912 172277018 /nfs/dbraw/zinc/27/70/18/172277018.db2.gz CNUUQQVKOOROOY-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CCn1nccc1NC(=O)c1nc[n-]n1 ZINC000358551912 172277020 /nfs/dbraw/zinc/27/70/20/172277020.db2.gz CNUUQQVKOOROOY-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CN(C)C(=O)CNC1(C(=O)[O-])CCCC1 ZINC000041794267 172369611 /nfs/dbraw/zinc/36/96/11/172369611.db2.gz FKBKFQDDEVSLRM-UHFFFAOYSA-N -1 3 214.265 0.062 20 0 BCADHM CN1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000128590428 173072012 /nfs/dbraw/zinc/07/20/12/173072012.db2.gz DDYQEVYLVIRXGA-UHFFFAOYSA-N -1 3 238.262 0.919 20 0 BCADHM CNC(=O)CC[N-]C(=O)C(F)(F)C(F)F ZINC000226617169 173256436 /nfs/dbraw/zinc/25/64/36/173256436.db2.gz ZSZIGNMSVZMVKF-UHFFFAOYSA-N -1 3 230.161 0.139 20 0 BCADHM CNC(=O)CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000037250606 173266207 /nfs/dbraw/zinc/26/62/07/173266207.db2.gz VFGMCZUZAIDTPD-UHFFFAOYSA-N -1 3 236.271 0.519 20 0 BCADHM CNC(=O)NCCC(=O)Nc1ccccc1[O-] ZINC000341239427 173290542 /nfs/dbraw/zinc/29/05/42/173290542.db2.gz YYMGEYQKUDHBCY-UHFFFAOYSA-N -1 3 237.259 0.650 20 0 BCADHM CNC(=O)[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000042350825 173294839 /nfs/dbraw/zinc/29/48/39/173294839.db2.gz JIBVMTUJGMFTIQ-MRVPVSSYSA-N -1 3 236.271 0.565 20 0 BCADHM CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000048924450 173309706 /nfs/dbraw/zinc/30/97/06/173309706.db2.gz HOACGMMBVRFKRK-UHFFFAOYSA-N -1 3 208.217 0.710 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)CC1CCCC1 ZINC000331091496 173606481 /nfs/dbraw/zinc/60/64/81/173606481.db2.gz IFCUYFJAKCWVHF-UHFFFAOYSA-N -1 3 235.305 0.269 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCN([C@H]2CCOC2)CC1 ZINC000662226954 487627895 /nfs/dbraw/zinc/62/78/95/487627895.db2.gz MPNIMDWUPHSGNJ-WDEREUQCSA-N -1 3 242.319 0.256 20 0 BCADHM COC1CN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000336247611 174033911 /nfs/dbraw/zinc/03/39/11/174033911.db2.gz KZJLHOIQEPWXML-UHFFFAOYSA-N -1 3 239.246 0.931 20 0 BCADHM COCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133069115 174052412 /nfs/dbraw/zinc/05/24/12/174052412.db2.gz MDDFXQZXWHAYEU-UHFFFAOYSA-N -1 3 213.208 0.794 20 0 BCADHM COCC(C)(C)CCCNC(=O)c1c[n-]nn1 ZINC000290433421 174068741 /nfs/dbraw/zinc/06/87/41/174068741.db2.gz KGOVGFVMQHPABQ-UHFFFAOYSA-N -1 3 240.307 0.987 20 0 BCADHM COCC(C)(C)CCCNC(=O)c1cnn[n-]1 ZINC000290433421 174068745 /nfs/dbraw/zinc/06/87/45/174068745.db2.gz KGOVGFVMQHPABQ-UHFFFAOYSA-N -1 3 240.307 0.987 20 0 BCADHM COCC(C)(C)CCCNC(=O)c1cn[n-]n1 ZINC000290433421 174068749 /nfs/dbraw/zinc/06/87/49/174068749.db2.gz KGOVGFVMQHPABQ-UHFFFAOYSA-N -1 3 240.307 0.987 20 0 BCADHM COCCC(=O)[N-]OCc1cccnc1 ZINC000152520895 174131874 /nfs/dbraw/zinc/13/18/74/174131874.db2.gz XOKMYICEWZCLKS-UHFFFAOYSA-N -1 3 210.233 0.666 20 0 BCADHM COCCCCn1cc(Cl)c(=O)[n-]c1=O ZINC000228713559 174209954 /nfs/dbraw/zinc/20/99/54/174209954.db2.gz OMAOUSLOXBBFRI-UHFFFAOYSA-N -1 3 232.667 0.617 20 0 BCADHM COCCCN(C)c1nc2nncc-2c(O)[n-]1 ZINC000274639060 174221002 /nfs/dbraw/zinc/22/10/02/174221002.db2.gz FAYVQGOLIWVXSG-UHFFFAOYSA-N -1 3 237.263 0.531 20 0 BCADHM COCC[N-]S(=O)(=O)c1ccco1 ZINC000188580898 174336902 /nfs/dbraw/zinc/33/69/02/174336902.db2.gz YFZDZMOUIDDIEZ-UHFFFAOYSA-N -1 3 205.235 0.204 20 0 BCADHM COCCOCCC(=O)Nc1ccncc1[O-] ZINC000358335815 174348018 /nfs/dbraw/zinc/34/80/18/174348018.db2.gz IXKPRQSXQKRPAJ-UHFFFAOYSA-N -1 3 240.259 0.201 20 0 BCADHM COCCS(=O)(=O)[N-]c1ccncc1F ZINC000180170423 174373705 /nfs/dbraw/zinc/37/37/05/174373705.db2.gz KBRNLJXDBLKJRT-UHFFFAOYSA-N -1 3 234.252 0.609 20 0 BCADHM COCCS(=O)(=O)[N-]c1cccc(O)c1 ZINC000042809652 174374096 /nfs/dbraw/zinc/37/40/96/174374096.db2.gz ZPVXMPCOGZZYIA-UHFFFAOYSA-N -1 3 231.273 0.780 20 0 BCADHM COc1ccc(C(=O)N2CCNCC2)c([O-])c1 ZINC000019481837 175057186 /nfs/dbraw/zinc/05/71/86/175057186.db2.gz PBNGSEOJYIFDGO-UHFFFAOYSA-N -1 3 236.271 0.446 20 0 BCADHM COc1ccc([O-])c(C(=O)NCC(C)(C)O)c1 ZINC000087030665 175158167 /nfs/dbraw/zinc/15/81/67/175158167.db2.gz LHVOYXXLRAQCCN-UHFFFAOYSA-N -1 3 239.271 0.902 20 0 BCADHM COc1ccc(S(=O)(=O)[N-]CCO)c(F)c1 ZINC000360234169 175174494 /nfs/dbraw/zinc/17/44/94/175174494.db2.gz MCRSNAIGCSBECQ-UHFFFAOYSA-N -1 3 249.263 0.105 20 0 BCADHM COc1cccc(C(=O)N(C)C[C@H](C)O)c1[O-] ZINC000051818105 175242894 /nfs/dbraw/zinc/24/28/94/175242894.db2.gz LAULMYWMCMCFFD-QMMMGPOBSA-N -1 3 239.271 0.854 20 0 BCADHM COc1cccc(C(=O)NC(C)(C)CO)c1[O-] ZINC000035608631 175244125 /nfs/dbraw/zinc/24/41/25/175244125.db2.gz YFBIQDFWLLSREE-UHFFFAOYSA-N -1 3 239.271 0.902 20 0 BCADHM COc1cccc(C(=O)NC[C@@H](C)O)c1[O-] ZINC000035108086 175245715 /nfs/dbraw/zinc/24/57/15/175245715.db2.gz DYYVQFHKQYUAQJ-SSDOTTSWSA-N -1 3 225.244 0.511 20 0 BCADHM COc1cncc(S(=O)(=O)[N-]CCF)c1 ZINC000282630867 175386815 /nfs/dbraw/zinc/38/68/15/175386815.db2.gz OCXFMTFSXKJURB-UHFFFAOYSA-N -1 3 234.252 0.338 20 0 BCADHM COc1nnc(NC(=O)c2cnccc2C)[n-]1 ZINC000352684463 175388734 /nfs/dbraw/zinc/38/87/34/175388734.db2.gz MHIWNSHUKHQDEC-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nc(NC(=O)c2cnccc2C)n[n-]1 ZINC000352684463 175388736 /nfs/dbraw/zinc/38/87/36/175388736.db2.gz MHIWNSHUKHQDEC-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1n[n-]c(NC(=O)c2cnccc2C)n1 ZINC000352684463 175388737 /nfs/dbraw/zinc/38/87/37/175388737.db2.gz MHIWNSHUKHQDEC-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nnc(NC(=O)CC2CCC2)[n-]1 ZINC000182993687 175393252 /nfs/dbraw/zinc/39/32/52/175393252.db2.gz YHYRWSOMUQIYAA-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1nc(NC(=O)CC2CCC2)n[n-]1 ZINC000182993687 175393254 /nfs/dbraw/zinc/39/32/54/175393254.db2.gz YHYRWSOMUQIYAA-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1n[n-]c(NC(=O)CC2CCC2)n1 ZINC000182993687 175393256 /nfs/dbraw/zinc/39/32/56/175393256.db2.gz YHYRWSOMUQIYAA-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1nnc(NC(=O)CCc2cncnc2)[n-]1 ZINC000294589478 175393832 /nfs/dbraw/zinc/39/38/32/175393832.db2.gz NYXVLKHHHBHJDR-UHFFFAOYSA-N -1 3 248.246 0.175 20 0 BCADHM COc1nc(NC(=O)CCc2cncnc2)n[n-]1 ZINC000294589478 175393833 /nfs/dbraw/zinc/39/38/33/175393833.db2.gz NYXVLKHHHBHJDR-UHFFFAOYSA-N -1 3 248.246 0.175 20 0 BCADHM COc1n[n-]c(NC(=O)CCc2cncnc2)n1 ZINC000294589478 175393834 /nfs/dbraw/zinc/39/38/34/175393834.db2.gz NYXVLKHHHBHJDR-UHFFFAOYSA-N -1 3 248.246 0.175 20 0 BCADHM COc1nnc(NC(=O)c2c(C)ccn2C)[n-]1 ZINC000190395229 175394318 /nfs/dbraw/zinc/39/43/18/175394318.db2.gz MJRWHSILARFTFC-UHFFFAOYSA-N -1 3 235.247 0.713 20 0 BCADHM COc1nc(NC(=O)c2c(C)ccn2C)n[n-]1 ZINC000190395229 175394319 /nfs/dbraw/zinc/39/43/19/175394319.db2.gz MJRWHSILARFTFC-UHFFFAOYSA-N -1 3 235.247 0.713 20 0 BCADHM COc1n[n-]c(NC(=O)c2c(C)ccn2C)n1 ZINC000190395229 175394320 /nfs/dbraw/zinc/39/43/20/175394320.db2.gz MJRWHSILARFTFC-UHFFFAOYSA-N -1 3 235.247 0.713 20 0 BCADHM COc1nnc(NC(=O)CCc2cnccn2)[n-]1 ZINC000281051368 175394669 /nfs/dbraw/zinc/39/46/69/175394669.db2.gz BMOWLIMZXYNKEV-UHFFFAOYSA-N -1 3 248.246 0.175 20 0 BCADHM COc1nc(NC(=O)CCc2cnccn2)n[n-]1 ZINC000281051368 175394671 /nfs/dbraw/zinc/39/46/71/175394671.db2.gz BMOWLIMZXYNKEV-UHFFFAOYSA-N -1 3 248.246 0.175 20 0 BCADHM COc1n[n-]c(NC(=O)CCc2cnccn2)n1 ZINC000281051368 175394673 /nfs/dbraw/zinc/39/46/73/175394673.db2.gz BMOWLIMZXYNKEV-UHFFFAOYSA-N -1 3 248.246 0.175 20 0 BCADHM COc1nnc(NC(=O)c2cc(C)[nH]n2)[n-]1 ZINC000179362337 175394969 /nfs/dbraw/zinc/39/49/69/175394969.db2.gz KGVQFRLVXODSKE-UHFFFAOYSA-N -1 3 222.208 0.097 20 0 BCADHM COc1nc(NC(=O)c2cc(C)[nH]n2)n[n-]1 ZINC000179362337 175394971 /nfs/dbraw/zinc/39/49/71/175394971.db2.gz KGVQFRLVXODSKE-UHFFFAOYSA-N -1 3 222.208 0.097 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(C)[nH]n2)n1 ZINC000179362337 175394973 /nfs/dbraw/zinc/39/49/73/175394973.db2.gz KGVQFRLVXODSKE-UHFFFAOYSA-N -1 3 222.208 0.097 20 0 BCADHM COc1nnc(NC(=O)CCc2ccccn2)[n-]1 ZINC000129406483 175395160 /nfs/dbraw/zinc/39/51/60/175395160.db2.gz FJRIAYAEFLAUQY-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM COc1nc(NC(=O)CCc2ccccn2)n[n-]1 ZINC000129406483 175395162 /nfs/dbraw/zinc/39/51/62/175395162.db2.gz FJRIAYAEFLAUQY-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM COc1n[n-]c(NC(=O)CCc2ccccn2)n1 ZINC000129406483 175395163 /nfs/dbraw/zinc/39/51/63/175395163.db2.gz FJRIAYAEFLAUQY-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM COc1nnc(NC(=O)c2ncoc2C)[n-]1 ZINC000271254876 175396205 /nfs/dbraw/zinc/39/62/05/175396205.db2.gz IGBBXLNCWMTZOB-UHFFFAOYSA-N -1 3 223.192 0.362 20 0 BCADHM COc1n[n-]c(NC(=O)c2ncoc2C)n1 ZINC000271254876 175396207 /nfs/dbraw/zinc/39/62/07/175396207.db2.gz IGBBXLNCWMTZOB-UHFFFAOYSA-N -1 3 223.192 0.362 20 0 BCADHM COc1nc(NC(=O)c2ncoc2C)n[n-]1 ZINC000271254876 175396209 /nfs/dbraw/zinc/39/62/09/175396209.db2.gz IGBBXLNCWMTZOB-UHFFFAOYSA-N -1 3 223.192 0.362 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1[C@@H]1C=CCCC1 ZINC000295417295 176043803 /nfs/dbraw/zinc/04/38/03/176043803.db2.gz TXBQEQZSPGFFOF-RKDXNWHRSA-N -1 3 244.316 0.502 20 0 BCADHM C[C@@H]1CC(=O)N[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000293567185 176049881 /nfs/dbraw/zinc/04/98/81/176049881.db2.gz VHSZZQPSABOPLB-YUMQZZPRSA-N -1 3 249.270 0.640 20 0 BCADHM C[C@@H]1CCCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000336318766 176065108 /nfs/dbraw/zinc/06/51/08/176065108.db2.gz CATHLNOYCIFIKJ-SECBINFHSA-N -1 3 224.308 0.730 20 0 BCADHM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000195174418 176183136 /nfs/dbraw/zinc/18/31/36/176183136.db2.gz SIXYUNDBLJIGRW-LDYMZIIASA-N -1 3 248.282 0.647 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@@H]1O ZINC000351848215 176261493 /nfs/dbraw/zinc/26/14/93/176261493.db2.gz ATZDMCINMNNHST-HQJQHLMTSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000104190649 176283961 /nfs/dbraw/zinc/28/39/61/176283961.db2.gz YCYMSPSOJCCUIK-BDAKNGLRSA-N -1 3 242.319 0.554 20 0 BCADHM C[C@@H]1CNCCN1C(=O)c1ccccc1[O-] ZINC000054370265 176326420 /nfs/dbraw/zinc/32/64/20/176326420.db2.gz NOCGQXLXALFYEA-SECBINFHSA-N -1 3 220.272 0.826 20 0 BCADHM C[C@@H]1C[C@@H]1CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000329950990 176391434 /nfs/dbraw/zinc/39/14/34/176391434.db2.gz MPCRDMJGBFTBMZ-IWSPIJDZSA-N -1 3 223.276 0.719 20 0 BCADHM C[C@@H]1C[C@@H]1CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329950987 176392388 /nfs/dbraw/zinc/39/23/88/176392388.db2.gz MPCRDMJGBFTBMZ-HLTSFMKQSA-N -1 3 223.276 0.719 20 0 BCADHM C[C@H](c1ccncc1)N(C)Cc1nc(=O)[n-][nH]1 ZINC000271750086 177050312 /nfs/dbraw/zinc/05/03/12/177050312.db2.gz YINCKHCARROFSW-MRVPVSSYSA-N -1 3 233.275 0.686 20 0 BCADHM C[C@H]1CC(NC(=O)c2ccc(O)cc2[O-])=NO1 ZINC000272973991 177065072 /nfs/dbraw/zinc/06/50/72/177065072.db2.gz LBJOGMCMGOHORA-LURJTMIESA-N -1 3 236.227 0.950 20 0 BCADHM C[C@H]1CCCN1C(=O)C(=O)[N-]c1cnns1 ZINC000192037070 177105495 /nfs/dbraw/zinc/10/54/95/177105495.db2.gz WLYQJNSXSKFBAF-LURJTMIESA-N -1 3 240.288 0.488 20 0 BCADHM C[C@H]1CCC[C@@]1(O)CN=c1ncnc2[nH][n-]cc1-2 ZINC000338810455 177128227 /nfs/dbraw/zinc/12/82/27/177128227.db2.gz LUXZABGKHYLUAC-QPUJVOFHSA-N -1 3 247.302 0.689 20 0 BCADHM C[C@@H]1CN(C(=O)c2cncc([O-])c2)C[C@H](C)N1C ZINC000122179256 177230780 /nfs/dbraw/zinc/23/07/80/177230780.db2.gz MCWSPPYETNUPJC-AOOOYVTPSA-N -1 3 249.314 0.952 20 0 BCADHM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cncc([O-])c1 ZINC000340007112 177231153 /nfs/dbraw/zinc/23/11/53/177231153.db2.gz VFKGEHUVGQTEAN-VHSXEESVSA-N -1 3 249.314 0.952 20 0 BCADHM C[C@H]1COCCN1C(=O)c1ccc(O)cc1[O-] ZINC000221303632 177290126 /nfs/dbraw/zinc/29/01/26/177290126.db2.gz WSXOYQCNTJTVIR-QMMMGPOBSA-N -1 3 237.255 0.959 20 0 BCADHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000300884743 177294969 /nfs/dbraw/zinc/29/49/69/177294969.db2.gz SNNGHQCABHAPFJ-YUMQZZPRSA-N -1 3 245.304 0.113 20 0 BCADHM C[C@H]1C[C@@H](C(=O)NCc2ncccc2[O-])CO1 ZINC000331022166 177308462 /nfs/dbraw/zinc/30/84/62/177308462.db2.gz QABZQEUDWJJYHX-DTWKUNHWSA-N -1 3 236.271 0.828 20 0 BCADHM C[C@H]1C[C@@H]1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000331970613 177347767 /nfs/dbraw/zinc/34/77/67/177347767.db2.gz NEBNRNQTBIUFBC-BQBZGAKWSA-N -1 3 236.275 0.386 20 0 BCADHM C[C@H]1C[C@H](C)N(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354597622 177359262 /nfs/dbraw/zinc/35/92/62/177359262.db2.gz QLNPVLKGSJPKRX-BQBZGAKWSA-N -1 3 232.291 0.952 20 0 BCADHM OC[C@H]1CC[C@H](N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000469032235 225035647 /nfs/dbraw/zinc/03/56/47/225035647.db2.gz TVSXJMPENGOVRX-KYZUINATSA-N -1 3 247.302 0.689 20 0 BCADHM COc1nnc(NC(=O)c2cccc(CO)c2)[n-]1 ZINC000486953154 225275670 /nfs/dbraw/zinc/27/56/70/225275670.db2.gz DDCGEMBJWKVPCF-UHFFFAOYSA-N -1 3 248.242 0.558 20 0 BCADHM COc1nc(NC(=O)c2cccc(CO)c2)n[n-]1 ZINC000486953154 225275679 /nfs/dbraw/zinc/27/56/79/225275679.db2.gz DDCGEMBJWKVPCF-UHFFFAOYSA-N -1 3 248.242 0.558 20 0 BCADHM COc1n[n-]c(NC(=O)c2cccc(CO)c2)n1 ZINC000486953154 225275683 /nfs/dbraw/zinc/27/56/83/225275683.db2.gz DDCGEMBJWKVPCF-UHFFFAOYSA-N -1 3 248.242 0.558 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)Nn1cnnc1 ZINC000492516824 226011122 /nfs/dbraw/zinc/01/11/22/226011122.db2.gz CNLZHCAYBQGMTA-OWOJBTEDSA-N -1 3 231.215 0.162 20 0 BCADHM O=C(/C=C/c1cnccn1)[N-]OCC(F)F ZINC000492606132 226025359 /nfs/dbraw/zinc/02/53/59/226025359.db2.gz VPAWMRHMPDWMAD-OWOJBTEDSA-N -1 3 229.186 0.803 20 0 BCADHM O=C(/C=C\c1cncc(F)c1)[N-]OCCO ZINC000492646203 226033105 /nfs/dbraw/zinc/03/31/05/226033105.db2.gz HHNVTMFHDSCIGX-UPHRSURJSA-N -1 3 226.207 0.274 20 0 BCADHM COc1nnc(NC(=O)C=Cc2c[nH]cn2)[n-]1 ZINC000492807135 226056825 /nfs/dbraw/zinc/05/68/25/226056825.db2.gz AVBKEJDFHXWAIS-IHWYPQMZSA-N -1 3 234.219 0.188 20 0 BCADHM COc1nc(NC(=O)C=Cc2c[nH]cn2)n[n-]1 ZINC000492807135 226056828 /nfs/dbraw/zinc/05/68/28/226056828.db2.gz AVBKEJDFHXWAIS-IHWYPQMZSA-N -1 3 234.219 0.188 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2c[nH]cn2)n1 ZINC000492807135 226056831 /nfs/dbraw/zinc/05/68/31/226056831.db2.gz AVBKEJDFHXWAIS-IHWYPQMZSA-N -1 3 234.219 0.188 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CC[C@H](O)C1 ZINC000492833318 226062893 /nfs/dbraw/zinc/06/28/93/226062893.db2.gz NRHZIHMYWVPNMF-YOLVWIGZSA-N -1 3 234.255 0.394 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]OC[C@@H]1CCOC1 ZINC000492871293 226072035 /nfs/dbraw/zinc/07/20/35/226072035.db2.gz XGEOHIVMYPWVDM-GPYPMJJRSA-N -1 3 237.259 0.507 20 0 BCADHM O=C(/C=C\c1cncs1)[N-]OCCCO ZINC000493119723 226131986 /nfs/dbraw/zinc/13/19/86/226131986.db2.gz HKTAXGNPSGGQOU-IHWYPQMZSA-N -1 3 228.273 0.587 20 0 BCADHM O=C(C=CC1CCCC1)Nc1nnn[n-]1 ZINC000493256321 226167144 /nfs/dbraw/zinc/16/71/44/226167144.db2.gz LGGWPAASBDDISV-AATRIKPKSA-N -1 3 207.237 0.885 20 0 BCADHM O=C(C=CC1CCCC1)Nc1nn[n-]n1 ZINC000493256321 226167147 /nfs/dbraw/zinc/16/71/47/226167147.db2.gz LGGWPAASBDDISV-AATRIKPKSA-N -1 3 207.237 0.885 20 0 BCADHM O=C(/C=C/C1CCCC1)Nc1nn[n-]n1 ZINC000493256321 226167151 /nfs/dbraw/zinc/16/71/51/226167151.db2.gz LGGWPAASBDDISV-AATRIKPKSA-N -1 3 207.237 0.885 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)/C=C\C1CCCC1 ZINC000493563475 226243579 /nfs/dbraw/zinc/24/35/79/226243579.db2.gz IJYJFHKWPHAALQ-WAYWQWQTSA-N -1 3 249.274 0.589 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)C=CC1CCCC1 ZINC000493563475 226243580 /nfs/dbraw/zinc/24/35/80/226243580.db2.gz IJYJFHKWPHAALQ-WAYWQWQTSA-N -1 3 249.274 0.589 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)C=CC1CCCC1 ZINC000493563475 226243581 /nfs/dbraw/zinc/24/35/81/226243581.db2.gz IJYJFHKWPHAALQ-WAYWQWQTSA-N -1 3 249.274 0.589 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NCCCCO ZINC000493771862 226253165 /nfs/dbraw/zinc/25/31/65/226253165.db2.gz OHDSBIMBSWVGPI-ARJAWSKDSA-N -1 3 236.271 0.689 20 0 BCADHM COc1nc(NC(=O)C=C[C@H]2CCOC2)n[n-]1 ZINC000493826915 226256125 /nfs/dbraw/zinc/25/61/25/226256125.db2.gz SCLOOXCACZGRLQ-AIYRYJHASA-N -1 3 238.247 0.345 20 0 BCADHM COc1nnc(NC(=O)C=C[C@H]2CCOC2)[n-]1 ZINC000493826915 226256126 /nfs/dbraw/zinc/25/61/26/226256126.db2.gz SCLOOXCACZGRLQ-AIYRYJHASA-N -1 3 238.247 0.345 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C/[C@H]2CCOC2)n1 ZINC000493826915 226256127 /nfs/dbraw/zinc/25/61/27/226256127.db2.gz SCLOOXCACZGRLQ-AIYRYJHASA-N -1 3 238.247 0.345 20 0 BCADHM Cc1nc([N-]C(=O)c2ncncc2Cl)n[nH]1 ZINC000426756159 487651951 /nfs/dbraw/zinc/65/19/51/487651951.db2.gz IIIORELKHJZQMW-UHFFFAOYSA-N -1 3 238.638 0.809 20 0 BCADHM O=C(NCCCO)c1cc(=O)[n-]c(C2CC2)n1 ZINC000557485371 322937952 /nfs/dbraw/zinc/93/79/52/322937952.db2.gz ITMRKQRSVOHJFS-UHFFFAOYSA-N -1 3 237.259 0.172 20 0 BCADHM CN(C)CCN(C)c1ccc(C(=O)[O-])cn1 ZINC000082542487 487669928 /nfs/dbraw/zinc/66/99/28/487669928.db2.gz SBEPFVBSTXNOSH-UHFFFAOYSA-N -1 3 223.276 0.778 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)Nc2ccncc2[O-])[C@@H](C)O1 ZINC000632169628 487673171 /nfs/dbraw/zinc/67/31/71/487673171.db2.gz ABEDBYUBNKZLDK-IWSPIJDZSA-N -1 3 236.271 0.961 20 0 BCADHM O=C(CNC(=O)c1ccc([O-])cc1)NC1CC1 ZINC000035206804 487674133 /nfs/dbraw/zinc/67/41/33/487674133.db2.gz HQRPTZKDTLUXCV-UHFFFAOYSA-N -1 3 234.255 0.401 20 0 BCADHM Cn1[n-]c(CN2CCC3(CCC3)CC2)nc1=O ZINC000671729120 487711335 /nfs/dbraw/zinc/71/13/35/487711335.db2.gz WTJXMKRPLGXLCZ-UHFFFAOYSA-N -1 3 236.319 0.875 20 0 BCADHM COC[C@@](C)(CO)NC(=O)c1ccccc1[O-] ZINC000681072510 487712780 /nfs/dbraw/zinc/71/27/80/487712780.db2.gz IAOSUTYJNRTUFM-GFCCVEGCSA-N -1 3 239.271 0.519 20 0 BCADHM CC[C@@H](C)[C@@H](C)C(=O)[N-]c1nnnn1C ZINC000904196513 584850540 /nfs/dbraw/zinc/85/05/40/584850540.db2.gz ZQTHLTHLBWTIFP-RNFRBKRXSA-N -1 3 211.269 0.831 20 0 BCADHM CCc1cnc(S(=O)(=O)Cc2ccno2)[n-]1 ZINC000675547360 487746991 /nfs/dbraw/zinc/74/69/91/487746991.db2.gz CFRUBLMIADDQMY-UHFFFAOYSA-N -1 3 241.272 0.934 20 0 BCADHM CCc1c[n-]c(S(=O)(=O)Cc2ccno2)n1 ZINC000675547360 487746995 /nfs/dbraw/zinc/74/69/95/487746995.db2.gz CFRUBLMIADDQMY-UHFFFAOYSA-N -1 3 241.272 0.934 20 0 BCADHM COc1cc(C(=O)[N-]c2cnoc2)nn1C ZINC000681252231 487760662 /nfs/dbraw/zinc/76/06/62/487760662.db2.gz FOGGSRJUXRMKST-UHFFFAOYSA-N -1 3 222.204 0.669 20 0 BCADHM CNc1nc(C)cc(C(=O)[N-]c2nonc2C)n1 ZINC000294150363 487773580 /nfs/dbraw/zinc/77/35/80/487773580.db2.gz BGCUJCDJUYVBQQ-UHFFFAOYSA-N -1 3 248.246 0.770 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]OCC(F)(F)F ZINC000766769757 585508431 /nfs/dbraw/zinc/50/84/31/585508431.db2.gz YXHJCQRURZPQTA-YFKPBYRVSA-N -1 3 243.181 0.796 20 0 BCADHM CN(C)C[C@H]1CCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000668012760 487796292 /nfs/dbraw/zinc/79/62/92/487796292.db2.gz KBAXXUGHOVAQKW-MRVPVSSYSA-N -1 3 238.291 0.282 20 0 BCADHM CCN(C)C(=O)C[N-]c1nnc(C(C)C)o1 ZINC000450458419 487799699 /nfs/dbraw/zinc/79/96/99/487799699.db2.gz URLQVIFSFIJUJP-UHFFFAOYSA-N -1 3 226.280 1.083 20 0 BCADHM CSCCO[N-]C(=O)C1=CCOCC1 ZINC000794192373 586034832 /nfs/dbraw/zinc/03/48/32/586034832.db2.gz MQCUOBJXVXJWTI-UHFFFAOYSA-N -1 3 217.290 0.744 20 0 BCADHM CCC[C@@H](O)CCNC(=O)c1c[n-]nn1 ZINC000832637627 587671726 /nfs/dbraw/zinc/67/17/26/587671726.db2.gz MRBVANNAGMZHJI-SSDOTTSWSA-N -1 3 212.253 0.086 20 0 BCADHM CCC[C@@H](O)CCNC(=O)c1cnn[n-]1 ZINC000832637627 587671728 /nfs/dbraw/zinc/67/17/28/587671728.db2.gz MRBVANNAGMZHJI-SSDOTTSWSA-N -1 3 212.253 0.086 20 0 BCADHM CCC[C@@H](O)CCNC(=O)c1cn[n-]n1 ZINC000832637627 587671730 /nfs/dbraw/zinc/67/17/30/587671730.db2.gz MRBVANNAGMZHJI-SSDOTTSWSA-N -1 3 212.253 0.086 20 0 BCADHM O=C([O-])NCCN1CCCC[C@@H]1CO ZINC000832641838 587671899 /nfs/dbraw/zinc/67/18/99/587671899.db2.gz LRJJWZHIOWAUKG-MRVPVSSYSA-N -1 3 202.254 0.101 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CC1CC1 ZINC000836902320 587842555 /nfs/dbraw/zinc/84/25/55/587842555.db2.gz ZJOVFYZPUBUGQP-VIFPVBQESA-N -1 3 201.266 0.851 20 0 BCADHM CC(C)=CCOC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845375498 588228327 /nfs/dbraw/zinc/22/83/27/588228327.db2.gz IUYUCSIEKSDXCT-MRVPVSSYSA-N -1 3 233.289 0.188 20 0 BCADHM CCCO[N-]C(=O)/C=C/c1ccncn1 ZINC000493234563 528599391 /nfs/dbraw/zinc/59/93/91/528599391.db2.gz PIFIKNARKZQEST-ONEGZZNKSA-N -1 3 207.233 0.948 20 0 BCADHM O=c1[n-]c(CN2CC[C@H]3CCC[C@@H]32)n[nH]1 ZINC000681709940 487845148 /nfs/dbraw/zinc/84/51/48/487845148.db2.gz MXGDNLJVYGXECH-SFYZADRCSA-N -1 3 208.265 0.885 20 0 BCADHM C[C@H](C(=O)[N-]O[C@H]1CCCCO1)N(C)C ZINC000874262113 590100195 /nfs/dbraw/zinc/10/01/95/590100195.db2.gz JOSGILSAFHCWGP-BDAKNGLRSA-N -1 3 216.281 0.511 20 0 BCADHM CCN(CC)C(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000037933176 597001865 /nfs/dbraw/zinc/00/18/65/597001865.db2.gz GNVRCDQNEFYOGJ-VIFPVBQESA-N -1 3 230.308 0.650 20 0 BCADHM O=S(=O)([N-]C1(CCO)CC1)c1cscn1 ZINC000564908812 322957185 /nfs/dbraw/zinc/95/71/85/322957185.db2.gz TWZWUABTHDVVSK-UHFFFAOYSA-N -1 3 248.329 0.336 20 0 BCADHM Cc1ccc(C(=O)NC2(C(N)=O)CCC2)c([O-])c1 ZINC000676682552 487891307 /nfs/dbraw/zinc/89/13/07/487891307.db2.gz QBNUOXOIBGKQNT-UHFFFAOYSA-N -1 3 248.282 0.838 20 0 BCADHM COC[C@H](OC)C(=O)Nc1ccccc1[O-] ZINC000666920846 487904300 /nfs/dbraw/zinc/90/43/00/487904300.db2.gz FTBQCYWELZKFKS-JTQLQIEISA-N -1 3 225.244 0.992 20 0 BCADHM O=C([O-])[C@@H]1COCCN1CC1CCCC1 ZINC000083876131 487956147 /nfs/dbraw/zinc/95/61/47/487956147.db2.gz SLRQGVWPGKTHGW-JTQLQIEISA-N -1 3 213.277 0.962 20 0 BCADHM CN(c1nc2nncc-2c(O)[n-]1)[C@H]1CCCOC1 ZINC000561356450 323000222 /nfs/dbraw/zinc/00/02/22/323000222.db2.gz OJUYJCNZFOMCIN-ZETCQYMHSA-N -1 3 249.274 0.674 20 0 BCADHM CN(c1nc2nncc-2c(O)[n-]1)[C@@H]1CCCOC1 ZINC000561356449 323000279 /nfs/dbraw/zinc/00/02/79/323000279.db2.gz OJUYJCNZFOMCIN-SSDOTTSWSA-N -1 3 249.274 0.674 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C[C@H]1C[C@H]1C ZINC000562698331 323028234 /nfs/dbraw/zinc/02/82/34/323028234.db2.gz FQPXYFRHRQSMOR-PHDIDXHHSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C[C@H]1C[C@H]1C ZINC000562698331 323028235 /nfs/dbraw/zinc/02/82/35/323028235.db2.gz FQPXYFRHRQSMOR-PHDIDXHHSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C[C@H]1C[C@H]1C ZINC000562698331 323028236 /nfs/dbraw/zinc/02/82/36/323028236.db2.gz FQPXYFRHRQSMOR-PHDIDXHHSA-N -1 3 237.263 0.149 20 0 BCADHM C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ncccc1[O-] ZINC000570556509 323062882 /nfs/dbraw/zinc/06/28/82/323062882.db2.gz MTPUEZNRXUSSDD-RKDXNWHRSA-N -1 3 235.287 0.544 20 0 BCADHM C[C@H]1NC(=O)CC[C@H]1NCc1ncccc1[O-] ZINC000570556509 323062883 /nfs/dbraw/zinc/06/28/83/323062883.db2.gz MTPUEZNRXUSSDD-RKDXNWHRSA-N -1 3 235.287 0.544 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000570673135 323066653 /nfs/dbraw/zinc/06/66/53/323066653.db2.gz WQPCMJBZLHMSQZ-KGFZYKRKSA-N -1 3 249.274 0.293 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000570673135 323066654 /nfs/dbraw/zinc/06/66/54/323066654.db2.gz WQPCMJBZLHMSQZ-KGFZYKRKSA-N -1 3 249.274 0.293 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000570673135 323066655 /nfs/dbraw/zinc/06/66/55/323066655.db2.gz WQPCMJBZLHMSQZ-KGFZYKRKSA-N -1 3 249.274 0.293 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCCN1CCC1 ZINC000570696315 323067656 /nfs/dbraw/zinc/06/76/56/323067656.db2.gz LNLAGSXABIVTSB-UHFFFAOYSA-N -1 3 235.287 0.152 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3C[C@H]4C[C@H]4C3)c1-2 ZINC000563018733 323080032 /nfs/dbraw/zinc/08/00/32/323080032.db2.gz MKBUAKLYDTVQGF-RNLVFQAGSA-N -1 3 215.260 0.937 20 0 BCADHM O=C(c1cncc([O-])c1)N1CC(n2ccnc2)C1 ZINC000531180198 323080837 /nfs/dbraw/zinc/08/08/37/323080837.db2.gz FGTGETZTSUNLBR-UHFFFAOYSA-N -1 3 244.254 0.681 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(C)CCC1 ZINC000531410201 323088854 /nfs/dbraw/zinc/08/88/54/323088854.db2.gz TZQUCPAUJQOWAS-VIFPVBQESA-N -1 3 237.303 0.805 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccn(C)c1 ZINC000531656665 323111134 /nfs/dbraw/zinc/11/11/34/323111134.db2.gz CFKYFCKOKSFXPA-SNVBAGLBSA-N -1 3 248.286 0.267 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@H]1CC12CC2 ZINC000571298173 323140746 /nfs/dbraw/zinc/14/07/46/323140746.db2.gz SRBZPICZAFRBIX-JTQLQIEISA-N -1 3 218.256 0.998 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CC2(C1)CCOC2 ZINC000571536239 323147449 /nfs/dbraw/zinc/14/74/49/323147449.db2.gz BCHWHLCYUPVAAR-UHFFFAOYSA-N -1 3 248.282 0.579 20 0 BCADHM COC(=O)CCCCCNC(=O)c1c[n-]nn1 ZINC000048889585 323155710 /nfs/dbraw/zinc/15/57/10/323155710.db2.gz SRNAWVGXTNWNJV-UHFFFAOYSA-N -1 3 240.263 0.268 20 0 BCADHM COC(=O)CCCCCNC(=O)c1cnn[n-]1 ZINC000048889585 323155711 /nfs/dbraw/zinc/15/57/11/323155711.db2.gz SRNAWVGXTNWNJV-UHFFFAOYSA-N -1 3 240.263 0.268 20 0 BCADHM COC(=O)CCCCCNC(=O)c1cn[n-]n1 ZINC000048889585 323155712 /nfs/dbraw/zinc/15/57/12/323155712.db2.gz SRNAWVGXTNWNJV-UHFFFAOYSA-N -1 3 240.263 0.268 20 0 BCADHM Cc1cnc(NC(=O)c2cnn[n-]2)s1 ZINC000048939473 323156131 /nfs/dbraw/zinc/15/61/31/323156131.db2.gz JTNLUFGKPVCATL-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1cnc(NC(=O)c2c[n-]nn2)s1 ZINC000048939473 323156132 /nfs/dbraw/zinc/15/61/32/323156132.db2.gz JTNLUFGKPVCATL-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM COc1ncccc1NC(=O)c1cnn[n-]1 ZINC000048936953 323156179 /nfs/dbraw/zinc/15/61/79/323156179.db2.gz KBOBNRSGXNGBLG-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1ncccc1NC(=O)c1c[n-]nn1 ZINC000048936953 323156180 /nfs/dbraw/zinc/15/61/80/323156180.db2.gz KBOBNRSGXNGBLG-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1ncccc1NC(=O)c1cn[n-]n1 ZINC000048936953 323156181 /nfs/dbraw/zinc/15/61/81/323156181.db2.gz KBOBNRSGXNGBLG-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COC[C@](C)(O)C(=O)Nc1ccccc1[O-] ZINC000534646397 323157325 /nfs/dbraw/zinc/15/73/25/323157325.db2.gz YIRGNKFOVAYEIN-NSHDSACASA-N -1 3 225.244 0.728 20 0 BCADHM CCOC(=O)NCC(=O)Nc1ncccc1[O-] ZINC000049086687 323158349 /nfs/dbraw/zinc/15/83/49/323158349.db2.gz BNKYFDZTVPHYCW-UHFFFAOYSA-N -1 3 239.231 0.472 20 0 BCADHM CS(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000112009724 323164712 /nfs/dbraw/zinc/16/47/12/323164712.db2.gz KMEIESNSHIFSSR-UHFFFAOYSA-N -1 3 232.236 0.296 20 0 BCADHM C[C@]1(O)CCN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000567208624 323176466 /nfs/dbraw/zinc/17/64/66/323176466.db2.gz BULIPXDHGBRYNI-LBPRGKRZSA-N -1 3 246.270 0.555 20 0 BCADHM C[C@]1(O)CCN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000567208624 323176467 /nfs/dbraw/zinc/17/64/67/323176467.db2.gz BULIPXDHGBRYNI-LBPRGKRZSA-N -1 3 246.270 0.555 20 0 BCADHM C[C@]1(O)CCN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000567208624 323176468 /nfs/dbraw/zinc/17/64/68/323176468.db2.gz BULIPXDHGBRYNI-LBPRGKRZSA-N -1 3 246.270 0.555 20 0 BCADHM COC[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000152373492 323179967 /nfs/dbraw/zinc/17/99/67/323179967.db2.gz SVRUUWNOVVLJNW-QMMMGPOBSA-N -1 3 245.304 0.113 20 0 BCADHM Cc1ccc([O-])c(CNCCN2CCCC2=O)n1 ZINC000405405938 323184389 /nfs/dbraw/zinc/18/43/89/323184389.db2.gz QEMURAOKNIEAJC-UHFFFAOYSA-N -1 3 249.314 0.808 20 0 BCADHM Cn1cc(C[S@](=O)c2ccc([O-])cc2)nn1 ZINC000535593450 323186545 /nfs/dbraw/zinc/18/65/45/323186545.db2.gz UNGRAMFXJSLJLI-INIZCTEOSA-N -1 3 237.284 0.829 20 0 BCADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCC(=O)N1 ZINC000535657320 323187641 /nfs/dbraw/zinc/18/76/41/323187641.db2.gz BGGIZKBPKJLBGN-ZETCQYMHSA-N -1 3 238.218 0.748 20 0 BCADHM CCn1c(=O)[n-]nc1SCc1nncn1C ZINC000536738695 323202498 /nfs/dbraw/zinc/20/24/98/323202498.db2.gz IUPBKHUWJSSWDX-UHFFFAOYSA-N -1 3 240.292 0.424 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CCCF)c1 ZINC000532260750 323212279 /nfs/dbraw/zinc/21/22/79/323212279.db2.gz ARBKNISKZANLEE-UHFFFAOYSA-N -1 3 235.284 0.541 20 0 BCADHM O=S(=O)([N-]C1(C2CC2)CC1)c1c[nH]cn1 ZINC000532367390 323257308 /nfs/dbraw/zinc/25/73/08/323257308.db2.gz IOTIDKPVPRTJSG-UHFFFAOYSA-N -1 3 227.289 0.631 20 0 BCADHM NC(=O)CCCNC(=O)c1ccccc1[O-] ZINC000037503053 323289541 /nfs/dbraw/zinc/28/95/41/323289541.db2.gz RAJULXFAUQILET-UHFFFAOYSA-N -1 3 222.244 0.388 20 0 BCADHM C[C@@]1(Br)C[C@@H]1C(=O)[N-]OCCO ZINC000529062657 324241395 /nfs/dbraw/zinc/24/13/95/324241395.db2.gz HYYRUCNCMARFCP-IYSWYEEDSA-N -1 3 238.081 0.200 20 0 BCADHM C[C@]1(Br)C[C@H]1C(=O)[N-]OCCO ZINC000529062656 324241347 /nfs/dbraw/zinc/24/13/47/324241347.db2.gz HYYRUCNCMARFCP-FSPLSTOPSA-N -1 3 238.081 0.200 20 0 BCADHM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cc(=O)[n-]cn1 ZINC000529790505 324399126 /nfs/dbraw/zinc/39/91/26/324399126.db2.gz FLDZBMARWHHHKK-JVXZTZIISA-N -1 3 249.270 0.480 20 0 BCADHM Cc1ncoc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000541456388 324959391 /nfs/dbraw/zinc/95/93/91/324959391.db2.gz HHYQVOUCZCIBDA-UHFFFAOYSA-N -1 3 248.242 0.717 20 0 BCADHM CCc1cccc(C(=O)N2CC(=O)N(C)C2)c1[O-] ZINC000542756773 325045237 /nfs/dbraw/zinc/04/52/37/325045237.db2.gz XMAOOMLLSVPELY-UHFFFAOYSA-N -1 3 248.282 0.826 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000543749656 325109591 /nfs/dbraw/zinc/10/95/91/325109591.db2.gz LNSZOXMXSGYIKR-LURJTMIESA-N -1 3 248.242 0.249 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000543749656 325109594 /nfs/dbraw/zinc/10/95/94/325109594.db2.gz LNSZOXMXSGYIKR-LURJTMIESA-N -1 3 248.242 0.249 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000543749656 325109596 /nfs/dbraw/zinc/10/95/96/325109596.db2.gz LNSZOXMXSGYIKR-LURJTMIESA-N -1 3 248.242 0.249 20 0 BCADHM O=c1[n-]c(CN[C@@H](CO)C2CCCCC2)n[nH]1 ZINC000543835966 325116528 /nfs/dbraw/zinc/11/65/28/325116528.db2.gz DRWKXUUJNOVMBS-VIFPVBQESA-N -1 3 240.307 0.541 20 0 BCADHM C[C@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)CCCO1 ZINC000544846706 325163659 /nfs/dbraw/zinc/16/36/59/325163659.db2.gz XQWARRRRJAVJAK-ZETCQYMHSA-N -1 3 248.290 0.332 20 0 BCADHM CC(C)c1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000545558587 325228204 /nfs/dbraw/zinc/22/82/04/325228204.db2.gz WMRNUVCYLPURFR-UHFFFAOYSA-N -1 3 224.220 0.245 20 0 BCADHM C[C@H]1C[N@@H+](Cc2ncccc2[O-])CC[C@@H]1O ZINC000564302998 325281843 /nfs/dbraw/zinc/28/18/43/325281843.db2.gz YGWSLTDHGPKDBL-ONGXEEELSA-N -1 3 222.288 0.990 20 0 BCADHM CC1(C)[C@@H]2CN(c3nc4[nH][n-]cc-4c(=N)n3)C[C@@H]21 ZINC000546884293 325315854 /nfs/dbraw/zinc/31/58/54/325315854.db2.gz XOZJUTXZRFPWTF-OCAPTIKFSA-N -1 3 244.302 0.809 20 0 BCADHM CCS(=O)(=O)[N-]Cc1nc([C@H]2C[C@@H]2C)no1 ZINC000547188704 325331347 /nfs/dbraw/zinc/33/13/47/325331347.db2.gz ZAXOSDILXXWLIY-BQBZGAKWSA-N -1 3 245.304 0.632 20 0 BCADHM C[C@H](NC(N)=O)C(=O)Nc1cccc([O-])c1F ZINC000547513062 325366779 /nfs/dbraw/zinc/36/67/79/325366779.db2.gz RLCNPIFTYBKNEC-YFKPBYRVSA-N -1 3 241.222 0.527 20 0 BCADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)C1COC1 ZINC000549605540 325510055 /nfs/dbraw/zinc/51/00/55/325510055.db2.gz RLEAIIGNTTXEFJ-JGVFFNPUSA-N -1 3 223.269 0.195 20 0 BCADHM CCCCN(C)CCNC(=O)[C@@H](C)C(=O)[O-] ZINC000566221087 326017207 /nfs/dbraw/zinc/01/72/07/326017207.db2.gz XFTMCHFOFSUZRY-SECBINFHSA-N -1 3 230.308 0.555 20 0 BCADHM COc1cc(CN(C)[C@@H](C)C(=O)[O-])ccn1 ZINC000566359490 326036953 /nfs/dbraw/zinc/03/69/53/326036953.db2.gz VFWHOYGELUFULG-QMMMGPOBSA-N -1 3 224.260 0.995 20 0 BCADHM CC(C)c1noc([N-]Cc2cn(C)nn2)n1 ZINC000309588436 326160230 /nfs/dbraw/zinc/16/02/30/326160230.db2.gz SZKZGWXBQMPLBS-UHFFFAOYSA-N -1 3 222.252 0.934 20 0 BCADHM CC1(C(=O)Nc2nnc(SCCO)[n-]2)CC1 ZINC000155273914 326190803 /nfs/dbraw/zinc/19/08/03/326190803.db2.gz KTINCQRFQSBUQG-UHFFFAOYSA-N -1 3 242.304 0.628 20 0 BCADHM CC1(C(=O)Nc2nc(SCCO)n[n-]2)CC1 ZINC000155273914 326190804 /nfs/dbraw/zinc/19/08/04/326190804.db2.gz KTINCQRFQSBUQG-UHFFFAOYSA-N -1 3 242.304 0.628 20 0 BCADHM CC1(C(=O)Nc2n[n-]c(SCCO)n2)CC1 ZINC000155273914 326190805 /nfs/dbraw/zinc/19/08/05/326190805.db2.gz KTINCQRFQSBUQG-UHFFFAOYSA-N -1 3 242.304 0.628 20 0 BCADHM COC(=O)NCCCC(=O)[N-]OCC(C)C ZINC000156590346 326236024 /nfs/dbraw/zinc/23/60/24/326236024.db2.gz IFFUNNPMZWYXQP-UHFFFAOYSA-N -1 3 232.280 0.826 20 0 BCADHM O=S(=O)([N-][C@H]1CC[C@@H](CO)C1)c1ccco1 ZINC000569259554 326398451 /nfs/dbraw/zinc/39/84/51/326398451.db2.gz DVDSSIJWCJTGBT-BDAKNGLRSA-N -1 3 245.300 0.719 20 0 BCADHM O=C([O-])c1coc(NCCN2CCCC2)n1 ZINC000165889161 326426837 /nfs/dbraw/zinc/42/68/37/326426837.db2.gz LBZCZXDNIVEZFW-UHFFFAOYSA-N -1 3 225.248 0.881 20 0 BCADHM OC[C@H](CC1CC1)N=c1ncnc2[nH][n-]cc1-2 ZINC000677236577 488003628 /nfs/dbraw/zinc/00/36/28/488003628.db2.gz GMABSLOKIJLDAN-QMMMGPOBSA-N -1 3 233.275 0.299 20 0 BCADHM CCC[C@@](C)(N)C(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000044625432 488029414 /nfs/dbraw/zinc/02/94/14/488029414.db2.gz VRSQDDOIWMEDSZ-LDYMZIIASA-N -1 3 230.308 0.826 20 0 BCADHM CNC(=O)CNC(=O)c1cccc(C)c1[O-] ZINC000037208146 488058651 /nfs/dbraw/zinc/05/86/51/488058651.db2.gz SRVYQMDKOPDKDB-UHFFFAOYSA-N -1 3 222.244 0.176 20 0 BCADHM COc1nnc(NC(=O)C=Cc2ccc[nH]2)[n-]1 ZINC000188684472 487541716 /nfs/dbraw/zinc/54/17/16/487541716.db2.gz QKIYGDKOUDNMBN-SNAWJCMRSA-N -1 3 233.231 0.793 20 0 BCADHM COc1nc(NC(=O)C=Cc2ccc[nH]2)n[n-]1 ZINC000188684472 487541721 /nfs/dbraw/zinc/54/17/21/487541721.db2.gz QKIYGDKOUDNMBN-SNAWJCMRSA-N -1 3 233.231 0.793 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2ccc[nH]2)n1 ZINC000188684472 487541725 /nfs/dbraw/zinc/54/17/25/487541725.db2.gz QKIYGDKOUDNMBN-SNAWJCMRSA-N -1 3 233.231 0.793 20 0 BCADHM Cc1cccc(C(=O)NC2COC2)c1[O-] ZINC000094710882 487553217 /nfs/dbraw/zinc/55/32/17/487553217.db2.gz MWHTYFMQDIUDKM-UHFFFAOYSA-N -1 3 207.229 0.829 20 0 BCADHM CN1CCC[C@H](C(=O)Nc2ncccc2[O-])C1=O ZINC000294910187 487475526 /nfs/dbraw/zinc/47/55/26/487475526.db2.gz CBFDGSWOONKYQD-MRVPVSSYSA-N -1 3 249.270 0.594 20 0 BCADHM C[C@H](O)[C@@H]1CCN(Cc2ncccc2[O-])C1 ZINC000685427006 487521080 /nfs/dbraw/zinc/52/10/80/487521080.db2.gz ZXMKCZIFYUDBGX-VHSXEESVSA-N -1 3 222.288 0.990 20 0 BCADHM C[C@H](CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)N(C)C ZINC000163999553 487787620 /nfs/dbraw/zinc/78/76/20/487787620.db2.gz VFUJACDZGFSCQO-BDAKNGLRSA-N -1 3 244.335 0.800 20 0 BCADHM CN(C)c1nc(C(=O)Nc2cnoc2)cc(=O)[n-]1 ZINC000683405688 488158426 /nfs/dbraw/zinc/15/84/26/488158426.db2.gz PHXKTOSYLJBTAV-UHFFFAOYSA-N -1 3 249.230 0.489 20 0 BCADHM CCCn1cc(C(=O)[N-]c2nncs2)nn1 ZINC000677996000 488171647 /nfs/dbraw/zinc/17/16/47/488171647.db2.gz YVNSEHWESAGHCT-UHFFFAOYSA-N -1 3 238.276 0.792 20 0 BCADHM CC(C)(C(N)=O)C(=O)Nc1cc(F)ccc1[O-] ZINC000683495679 488179321 /nfs/dbraw/zinc/17/93/21/488179321.db2.gz UVNNTJUYOQUSPW-UHFFFAOYSA-N -1 3 240.234 0.981 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](N)C1CCC1 ZINC000399095153 488228119 /nfs/dbraw/zinc/22/81/19/488228119.db2.gz VECTYPZTIVKCCH-BDAKNGLRSA-N -1 3 228.292 0.435 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](C)[C@H](O)C2)n1 ZINC000684094425 488265980 /nfs/dbraw/zinc/26/59/80/488265980.db2.gz QJRUHZGWCSIFSD-FKTZTGRPSA-N -1 3 237.303 0.864 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1CC1 ZINC000673544730 488295266 /nfs/dbraw/zinc/29/52/66/488295266.db2.gz HVIQPUNXDUZFJP-UHFFFAOYSA-N -1 3 209.249 0.169 20 0 BCADHM Cc1ncc(C(=O)NCCCc2cc(=O)[nH][n-]2)[nH]1 ZINC000673543710 488295549 /nfs/dbraw/zinc/29/55/49/488295549.db2.gz CLDVUFWYSVRRGS-UHFFFAOYSA-N -1 3 249.274 0.104 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccccn1 ZINC000673545457 488295663 /nfs/dbraw/zinc/29/56/63/488295663.db2.gz SSEPURZKIMFMNH-UHFFFAOYSA-N -1 3 246.270 0.468 20 0 BCADHM O=S(=O)([N-]CC1(CO)CC1)c1cccs1 ZINC000049462365 488295868 /nfs/dbraw/zinc/29/58/68/488295868.db2.gz NVLPYYJIQYKNJV-UHFFFAOYSA-N -1 3 247.341 0.799 20 0 BCADHM C[C@@H](C(=O)NCc1ncccc1[O-])N(C)C ZINC000684349201 488297853 /nfs/dbraw/zinc/29/78/53/488297853.db2.gz BWLHOGBCOYDCLP-QMMMGPOBSA-N -1 3 223.276 0.354 20 0 BCADHM O=C(NCc1ncccc1[O-])c1cnco1 ZINC000684350197 488298587 /nfs/dbraw/zinc/29/85/87/488298587.db2.gz HVRLALYOUCPJSL-UHFFFAOYSA-N -1 3 219.200 0.705 20 0 BCADHM O=C(Nc1cc[nH]n1)c1cccc2nn[n-]c21 ZINC000679641854 488361868 /nfs/dbraw/zinc/36/18/68/488361868.db2.gz SOZNMHRDZVKMBF-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1cc[nH]n1)c1cccc2[n-]nnc21 ZINC000679641854 488361869 /nfs/dbraw/zinc/36/18/69/488361869.db2.gz SOZNMHRDZVKMBF-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1cc[nH]n1)c1cccc2n[n-]nc21 ZINC000679641854 488361871 /nfs/dbraw/zinc/36/18/71/488361871.db2.gz SOZNMHRDZVKMBF-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM COC[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000679641949 488361957 /nfs/dbraw/zinc/36/19/57/488361957.db2.gz SLXQCEIVZGKEOR-ZETCQYMHSA-N -1 3 234.259 0.723 20 0 BCADHM COC[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000679641949 488361958 /nfs/dbraw/zinc/36/19/58/488361958.db2.gz SLXQCEIVZGKEOR-ZETCQYMHSA-N -1 3 234.259 0.723 20 0 BCADHM COC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000679641949 488361959 /nfs/dbraw/zinc/36/19/59/488361959.db2.gz SLXQCEIVZGKEOR-ZETCQYMHSA-N -1 3 234.259 0.723 20 0 BCADHM O=C(NCC1(CO)CCCCC1)c1c[n-]nn1 ZINC000123019119 490191803 /nfs/dbraw/zinc/19/18/03/490191803.db2.gz GARKSINLDICVLK-UHFFFAOYSA-N -1 3 238.291 0.477 20 0 BCADHM O=C(NCC1(CO)CCCCC1)c1cnn[n-]1 ZINC000123019119 490191808 /nfs/dbraw/zinc/19/18/08/490191808.db2.gz GARKSINLDICVLK-UHFFFAOYSA-N -1 3 238.291 0.477 20 0 BCADHM O=C(NCC1(CO)CCCCC1)c1cn[n-]n1 ZINC000123019119 490191812 /nfs/dbraw/zinc/19/18/12/490191812.db2.gz GARKSINLDICVLK-UHFFFAOYSA-N -1 3 238.291 0.477 20 0 BCADHM NC(=O)[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000652797334 490363431 /nfs/dbraw/zinc/36/34/31/490363431.db2.gz HFHFPMUYWPCNSE-OCAPTIKFSA-N -1 3 234.255 0.386 20 0 BCADHM C[C@@H]1CC=CC[C@H]1NC(=O)c1c[n-]nn1 ZINC000890771491 582552493 /nfs/dbraw/zinc/55/24/93/582552493.db2.gz RIPFAOMRJSJNJJ-HTQZYQBOSA-N -1 3 206.249 0.889 20 0 BCADHM C[C@@H]1CC=CC[C@H]1NC(=O)c1cnn[n-]1 ZINC000890771491 582552494 /nfs/dbraw/zinc/55/24/94/582552494.db2.gz RIPFAOMRJSJNJJ-HTQZYQBOSA-N -1 3 206.249 0.889 20 0 BCADHM C[C@@H]1CC=CC[C@H]1NC(=O)c1cn[n-]n1 ZINC000890771491 582552495 /nfs/dbraw/zinc/55/24/95/582552495.db2.gz RIPFAOMRJSJNJJ-HTQZYQBOSA-N -1 3 206.249 0.889 20 0 BCADHM COC(=O)N(C)CCCC(=O)[N-]OCC1CC1 ZINC000496284824 533882609 /nfs/dbraw/zinc/88/26/09/533882609.db2.gz PYXNACCXWOBVSP-UHFFFAOYSA-N -1 3 244.291 0.923 20 0 BCADHM COC(=O)N1CCC[C@H](C(=O)[N-]OC(C)C)C1 ZINC000496539273 533974902 /nfs/dbraw/zinc/97/49/02/533974902.db2.gz KGTMEXWHDARGML-VIFPVBQESA-N -1 3 244.291 0.921 20 0 BCADHM C[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)C[C@H](C)O ZINC000305222443 534072490 /nfs/dbraw/zinc/07/24/90/534072490.db2.gz WKAASNTUYYABHT-SFYZADRCSA-N -1 3 247.320 0.095 20 0 BCADHM COC(=O)NCCCC(=O)[N-]OCC(F)F ZINC000495351694 534099131 /nfs/dbraw/zinc/09/91/31/534099131.db2.gz HGYFTIDVPKWWQC-UHFFFAOYSA-N -1 3 240.206 0.436 20 0 BCADHM [O-]c1ccc(CN2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000892066612 582783316 /nfs/dbraw/zinc/78/33/16/582783316.db2.gz XEFJXFIDQWLNSN-PHIMTYICSA-N -1 3 227.235 0.069 20 0 BCADHM CC(=O)N[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000335934857 534530643 /nfs/dbraw/zinc/53/06/43/534530643.db2.gz QLPDVBVFOPBXPW-LURJTMIESA-N -1 3 240.234 0.994 20 0 BCADHM Cn1nccc1/C=C/C(=O)[N-]O[C@H]1CCOC1 ZINC000492537040 534842349 /nfs/dbraw/zinc/84/23/49/534842349.db2.gz NSFQVFFPJRKIJW-PBKGFPTLSA-N -1 3 237.259 0.270 20 0 BCADHM CC(C)(CO)NC(=O)/C=C\c1cncc([O-])c1 ZINC000493659197 527205909 /nfs/dbraw/zinc/20/59/09/527205909.db2.gz SRIMKPMQTPPXNM-ARJAWSKDSA-N -1 3 236.271 0.688 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000493702847 528294588 /nfs/dbraw/zinc/29/45/88/528294588.db2.gz BDPJANKQLHZLIW-UHFFFAOYSA-N -1 3 246.263 0.478 20 0 BCADHM CCN(CCO)C(=O)/C=C/c1cncc([O-])c1 ZINC000305815871 528519593 /nfs/dbraw/zinc/51/95/93/528519593.db2.gz ACODRJGMWFBYHO-ONEGZZNKSA-N -1 3 236.271 0.641 20 0 BCADHM CCCO[N-]C(=O)/C=C\c1cnc(OC)nc1 ZINC000493479812 528600823 /nfs/dbraw/zinc/60/08/23/528600823.db2.gz FBLBOWBHPCXDJB-PLNGDYQASA-N -1 3 237.259 0.956 20 0 BCADHM CCCO[N-]C(=O)[C@H]1CCCN(C(=O)OC)C1 ZINC000496663926 528600758 /nfs/dbraw/zinc/60/07/58/528600758.db2.gz SDYPADZPNFDWQH-VIFPVBQESA-N -1 3 244.291 0.923 20 0 BCADHM CC(C)[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)CCN1C ZINC000487979805 528750754 /nfs/dbraw/zinc/75/07/54/528750754.db2.gz JGKYSDRTTIWHBW-VIFPVBQESA-N -1 3 239.323 0.282 20 0 BCADHM CC[C@@H](C(=O)[O-])N1CCN(CC(F)F)CC1 ZINC000261579592 535438004 /nfs/dbraw/zinc/43/80/04/535438004.db2.gz MJGWNWLRJGEYED-QMMMGPOBSA-N -1 3 236.262 0.732 20 0 BCADHM CN(C(=O)c1ccccc1[O-])[C@H]1CCNC1=O ZINC000335311041 536068560 /nfs/dbraw/zinc/06/85/60/536068560.db2.gz BAPMUKWQTQSCHX-VIFPVBQESA-N -1 3 234.255 0.353 20 0 BCADHM CC(C)C(=O)NCCN(C)c1cc(=O)[n-]cn1 ZINC000893070330 583041440 /nfs/dbraw/zinc/04/14/40/583041440.db2.gz GPSVDQWHVWJMAY-UHFFFAOYSA-N -1 3 238.291 0.391 20 0 BCADHM O=C(CCOc1ccccc1)[N-]OCCO ZINC000111997865 583080927 /nfs/dbraw/zinc/08/09/27/583080927.db2.gz XCTWBAFTYXTFRT-UHFFFAOYSA-N -1 3 225.244 0.496 20 0 BCADHM CN(C(=O)[O-])C1CCN(CCOCCO)CC1 ZINC000737938439 583115421 /nfs/dbraw/zinc/11/54/21/583115421.db2.gz YLRBHTXJZMTVBI-UHFFFAOYSA-N -1 3 246.307 0.070 20 0 BCADHM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]1N)CC(=O)[O-] ZINC000853059723 588718108 /nfs/dbraw/zinc/71/81/08/588718108.db2.gz JGDWFRYXUFXHEA-AEJSXWLSSA-N -1 3 242.319 0.587 20 0 BCADHM C[C@@H](C(=O)[N-]OC1CCCC1)[C@@H]1CCC(=O)N1 ZINC000860602846 589109164 /nfs/dbraw/zinc/10/91/64/589109164.db2.gz YLSMVIJOIMMWKY-SCZZXKLOSA-N -1 3 240.303 0.892 20 0 BCADHM O=C([N-]OCC1CCC1)c1cnns1 ZINC000853869810 588766918 /nfs/dbraw/zinc/76/69/18/588766918.db2.gz CIUTWBGESOLIFC-UHFFFAOYSA-N -1 3 213.262 1.000 20 0 BCADHM CCC(F)(F)C(=O)[N-]CC(=O)NC1CC1 ZINC000854277018 588782530 /nfs/dbraw/zinc/78/25/30/588782530.db2.gz DJHVPQVBJAFBAY-UHFFFAOYSA-N -1 3 220.219 0.427 20 0 BCADHM CC(C)(C)n1nnc(C(=O)[N-]N2CCCC2)n1 ZINC000854331246 588784611 /nfs/dbraw/zinc/78/46/11/588784611.db2.gz RFVBUGSRNJCZMH-UHFFFAOYSA-N -1 3 238.295 0.169 20 0 BCADHM CC(C)[C@@H](O)C(=O)[N-]OC1CCN(C)CC1 ZINC000854357639 588784782 /nfs/dbraw/zinc/78/47/82/588784782.db2.gz JMYHIJYVZKQEEC-SNVBAGLBSA-N -1 3 230.308 0.145 20 0 BCADHM Cc1cccc(C(=O)N2CCCNC(=O)C2)c1[O-] ZINC000112210143 588786040 /nfs/dbraw/zinc/78/60/40/588786040.db2.gz FPRFUHMYAKFOJS-UHFFFAOYSA-N -1 3 248.282 0.663 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H]1C[C@H](C)OC1=O ZINC000854470814 588789153 /nfs/dbraw/zinc/78/91/53/588789153.db2.gz QZKMQZRRGREXQM-NTSWFWBYSA-N -1 3 221.203 0.852 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@]1(C)CCOC1=O ZINC000854529078 588790666 /nfs/dbraw/zinc/79/06/66/588790666.db2.gz CIOMZJFEJPADQX-QMMMGPOBSA-N -1 3 221.203 0.854 20 0 BCADHM CCc1cccc(C(=O)N[C@@H]2COC(=O)C2)c1[O-] ZINC000854555896 588794378 /nfs/dbraw/zinc/79/43/78/588794378.db2.gz ASLBOHRAZXWFDP-VIFPVBQESA-N -1 3 249.266 1.000 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000854603239 588796841 /nfs/dbraw/zinc/79/68/41/588796841.db2.gz UXYDGZWEVKIGBU-AXTSPUMRSA-N -1 3 213.277 0.973 20 0 BCADHM CN(C)CCO[N-]C(=O)CCc1ccon1 ZINC000854689408 588801666 /nfs/dbraw/zinc/80/16/66/588801666.db2.gz CNFGBAKEUFPBNZ-UHFFFAOYSA-N -1 3 227.264 0.217 20 0 BCADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCOC1 ZINC000854807266 588811709 /nfs/dbraw/zinc/81/17/09/588811709.db2.gz NZVDFQMLJAUVPX-UHFFFAOYSA-N -1 3 237.211 0.551 20 0 BCADHM CN(C)CCO[N-]C(=O)CCc1ccncn1 ZINC000854944915 588817383 /nfs/dbraw/zinc/81/73/83/588817383.db2.gz BNOCXOKUORRENX-UHFFFAOYSA-N -1 3 238.291 0.019 20 0 BCADHM CN(C)CCO[N-]C(=O)CCc1ncccn1 ZINC000854944986 588817643 /nfs/dbraw/zinc/81/76/43/588817643.db2.gz FUUVDAFNALPDDA-UHFFFAOYSA-N -1 3 238.291 0.019 20 0 BCADHM C[C@H](C(=O)[N-]OCCN(C)C)c1cnn(C)c1 ZINC000854945524 588818040 /nfs/dbraw/zinc/81/80/40/588818040.db2.gz LEUWUQVNQBADFS-VIFPVBQESA-N -1 3 240.307 0.133 20 0 BCADHM CN(C)CCO[N-]C(=O)C1(C)CCC(=O)CC1 ZINC000854946958 588818439 /nfs/dbraw/zinc/81/84/39/588818439.db2.gz BXGAAEODWCMXOM-UHFFFAOYSA-N -1 3 242.319 0.745 20 0 BCADHM Cn1c([N-]C(=O)C(F)F)nnc1C1CC1 ZINC000855253421 588826486 /nfs/dbraw/zinc/82/64/86/588826486.db2.gz JIBBKDVMJONCNX-UHFFFAOYSA-N -1 3 216.191 0.896 20 0 BCADHM CN(CCO)Cc1ccccc1C(=O)[O-] ZINC000011950120 582457779 /nfs/dbraw/zinc/45/77/79/582457779.db2.gz SVEBEQOZVNGDOW-UHFFFAOYSA-N -1 3 209.245 0.809 20 0 BCADHM COCOCCCN=c1ncnc2[nH][n-]cc1-2 ZINC000858606054 582468679 /nfs/dbraw/zinc/46/86/79/582468679.db2.gz CQPNMXMRTAVMCH-UHFFFAOYSA-N -1 3 237.263 0.149 20 0 BCADHM O=C([N-]N1CN=NC1=O)c1ccc2cncn2c1 ZINC000807186257 582489261 /nfs/dbraw/zinc/48/92/61/582489261.db2.gz KYBVBOWGKKNLQK-UHFFFAOYSA-N -1 3 244.214 0.015 20 0 BCADHM Cn1cnnc1[N-]C(=O)COCc1ccccn1 ZINC000807253488 582536761 /nfs/dbraw/zinc/53/67/61/582536761.db2.gz WYCNFVZYFCHTNI-UHFFFAOYSA-N -1 3 247.258 0.365 20 0 BCADHM CCn1nnnc1[N-]C(=O)/C=C/[C@@H]1CCOC1 ZINC000891339505 582667123 /nfs/dbraw/zinc/66/71/23/582667123.db2.gz DUVZVQCQPTWGIF-MPJRPATESA-N -1 3 237.263 0.224 20 0 BCADHM C[C@H]1CN(CCCC(=O)[O-])[C@@H](C)CO1 ZINC000223227664 582683047 /nfs/dbraw/zinc/68/30/47/582683047.db2.gz YJCMAWOIYIJNNG-IUCAKERBSA-N -1 3 201.266 0.960 20 0 BCADHM CCn1ncc(C)c1NC(=O)c1cnn[n-]1 ZINC000855752599 588847247 /nfs/dbraw/zinc/84/72/47/588847247.db2.gz SWXDTUGFZKNDOR-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM CCn1ncc(C)c1NC(=O)c1c[n-]nn1 ZINC000855752599 588847248 /nfs/dbraw/zinc/84/72/48/588847248.db2.gz SWXDTUGFZKNDOR-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM CCn1ncc(C)c1NC(=O)c1cn[n-]n1 ZINC000855752599 588847249 /nfs/dbraw/zinc/84/72/49/588847249.db2.gz SWXDTUGFZKNDOR-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM CN1CCN(Cc2ccc([O-])c(F)c2)CC1=O ZINC000892058974 582778719 /nfs/dbraw/zinc/77/87/19/582778719.db2.gz PSYOXMPPAOZMST-UHFFFAOYSA-N -1 3 238.262 0.805 20 0 BCADHM COC(=O)c1occc1C[N-]C(=O)C(F)F ZINC000855872290 588852384 /nfs/dbraw/zinc/85/23/84/588852384.db2.gz YPFWTTXAYQYUEX-UHFFFAOYSA-N -1 3 233.170 0.948 20 0 BCADHM CC(=O)[N-]OCC(=O)N1CCC(C)CC1 ZINC000119931028 582807757 /nfs/dbraw/zinc/80/77/57/582807757.db2.gz WQVKHRJSBZEMQD-UHFFFAOYSA-N -1 3 214.265 0.313 20 0 BCADHM CN(Cc1ccc([O-])c(F)c1)[C@H]1CCNC1=O ZINC000892241274 582812205 /nfs/dbraw/zinc/81/22/05/582812205.db2.gz KQGVQYLFLRCFSJ-JTQLQIEISA-N -1 3 238.262 0.852 20 0 BCADHM COCCCC(=O)[N-]OCCN1CCCC1=O ZINC000856038306 588858248 /nfs/dbraw/zinc/85/82/48/588858248.db2.gz BKUCCPWKEYIDRN-UHFFFAOYSA-N -1 3 244.291 0.083 20 0 BCADHM O=C(CCCF)[N-]OCCN1CCCC1=O ZINC000856043793 588858292 /nfs/dbraw/zinc/85/82/92/588858292.db2.gz JKZOSVLDQGJYQK-UHFFFAOYSA-N -1 3 232.255 0.406 20 0 BCADHM CC[C@@H](C)C(=O)[N-]OCCN1CCCC1=O ZINC000856038155 588858333 /nfs/dbraw/zinc/85/83/33/588858333.db2.gz VTGAJMGQMKMPRO-SECBINFHSA-N -1 3 228.292 0.703 20 0 BCADHM CC1(CC(=O)[N-]OCCN2CCCC2=O)CC1 ZINC000856043143 588858355 /nfs/dbraw/zinc/85/83/55/588858355.db2.gz MHAHMQBEQNAWSK-UHFFFAOYSA-N -1 3 240.303 0.847 20 0 BCADHM CC1(C(=O)[N-]OCCN2CCCC2=O)CC1 ZINC000856040819 588858357 /nfs/dbraw/zinc/85/83/57/588858357.db2.gz HEDYKLKBJOYVRI-UHFFFAOYSA-N -1 3 226.276 0.457 20 0 BCADHM C[C@H](O)C1(NC(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000856128900 588861850 /nfs/dbraw/zinc/86/18/50/588861850.db2.gz OSYKWDHUFYKZCY-HPOULIHZSA-N -1 3 248.282 0.830 20 0 BCADHM C[C@@H](O)C1(NC(=O)/C=C/c2cncc([O-])c2)CC1 ZINC000856128899 588861987 /nfs/dbraw/zinc/86/19/87/588861987.db2.gz OSYKWDHUFYKZCY-GKQMSVHHSA-N -1 3 248.282 0.830 20 0 BCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCC1CCC1 ZINC000856351353 588870192 /nfs/dbraw/zinc/87/01/92/588870192.db2.gz FEWRKKXQSQIFNE-BDAKNGLRSA-N -1 3 226.276 0.346 20 0 BCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OCC1CCC1 ZINC000856351356 588870334 /nfs/dbraw/zinc/87/03/34/588870334.db2.gz FEWRKKXQSQIFNE-RKDXNWHRSA-N -1 3 226.276 0.346 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1C[C@H](O)C1 ZINC000856395602 588871639 /nfs/dbraw/zinc/87/16/39/588871639.db2.gz UTVUFCIINUGRIP-QBNHYTBRSA-N -1 3 234.255 0.440 20 0 BCADHM CCC(=O)N1CC[C@@H](Nc2cc(=O)[n-]cn2)C1 ZINC000892928577 583011203 /nfs/dbraw/zinc/01/12/03/583011203.db2.gz JJYYSZGXEHZMGK-MRVPVSSYSA-N -1 3 236.275 0.605 20 0 BCADHM Cc1nc(N[C@@H](CO)c2cnn(C)c2)cc(=O)[n-]1 ZINC000892993633 583026025 /nfs/dbraw/zinc/02/60/25/583026025.db2.gz MIRRVXNGABPOLE-VIFPVBQESA-N -1 3 249.274 0.370 20 0 BCADHM [O-]c1cc(Cl)cc(CNC(CO)CO)c1 ZINC000893077017 583042973 /nfs/dbraw/zinc/04/29/73/583042973.db2.gz GSEBMNLFTORDEP-UHFFFAOYSA-N -1 3 231.679 0.488 20 0 BCADHM CCN1CCN(c2cc(=O)[n-]c(C)n2)CC1=O ZINC000893164181 583060998 /nfs/dbraw/zinc/06/09/98/583060998.db2.gz LFSIDHROTLQWHG-UHFFFAOYSA-N -1 3 236.275 0.159 20 0 BCADHM CCO[C@@H]1C[C@H](Nc2cc(=O)[n-]cn2)[C@@H]1OC ZINC000893179317 583064920 /nfs/dbraw/zinc/06/49/20/583064920.db2.gz ORGHRUILBBBWMO-RNSXUZJQSA-N -1 3 239.275 0.787 20 0 BCADHM CC[C@@]1(O)CCN(c2cc(=O)[n-]c(C)n2)C1 ZINC000893279835 583083513 /nfs/dbraw/zinc/08/35/13/583083513.db2.gz RZXVANCFJFVMHX-LLVKDONJSA-N -1 3 223.276 0.842 20 0 BCADHM [O-]c1cc(Br)cnc1CNCCO ZINC000893324232 583100974 /nfs/dbraw/zinc/10/09/74/583100974.db2.gz QCCMQZSSJWMBIB-UHFFFAOYSA-N -1 3 247.092 0.632 20 0 BCADHM CN(C)C(=O)[C@@H]1CCCN1CCCCC(=O)[O-] ZINC000737943786 583131634 /nfs/dbraw/zinc/13/16/34/583131634.db2.gz BKCINXBKNBWVPQ-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM COC[C@@H]1CN(c2cc(=O)[n-]cn2)C[C@@H](C)O1 ZINC000893389319 583134099 /nfs/dbraw/zinc/13/40/99/583134099.db2.gz UDLOGCCDMAALGC-BDAKNGLRSA-N -1 3 239.275 0.422 20 0 BCADHM C[C@H]1C(=O)CC[C@H]1CC(=O)[N-]OC(C)(C)CO ZINC000857285082 583136901 /nfs/dbraw/zinc/13/69/01/583136901.db2.gz XYUGDQLAGUOWSD-BDAKNGLRSA-N -1 3 243.303 0.810 20 0 BCADHM C[C@@H]1C(=O)CC[C@H]1CC(=O)[N-]OC(C)(C)CO ZINC000857285088 583136920 /nfs/dbraw/zinc/13/69/20/583136920.db2.gz XYUGDQLAGUOWSD-IUCAKERBSA-N -1 3 243.303 0.810 20 0 BCADHM [O-]C(=NOCCO)Nc1ccnc(F)c1F ZINC000856911224 588879593 /nfs/dbraw/zinc/87/95/93/588879593.db2.gz PLARXPRQEUVRKJ-UHFFFAOYSA-N -1 3 233.174 0.405 20 0 BCADHM O=C([N-]OCCO)Nc1ccnc(F)c1F ZINC000856911224 588879594 /nfs/dbraw/zinc/87/95/94/588879594.db2.gz PLARXPRQEUVRKJ-UHFFFAOYSA-N -1 3 233.174 0.405 20 0 BCADHM CO[C@H]1COCC[C@@H]1CNc1cc(=O)[n-]cn1 ZINC000894045179 583286366 /nfs/dbraw/zinc/28/63/66/583286366.db2.gz DDEHQIKUBNMXHA-BDAKNGLRSA-N -1 3 239.275 0.646 20 0 BCADHM CCCC[C@@](C)(F)C(=O)[N-]N1CN=NC1=O ZINC000857171714 588891272 /nfs/dbraw/zinc/89/12/72/588891272.db2.gz GHTQMSJBDFFTGD-SECBINFHSA-N -1 3 230.243 0.972 20 0 BCADHM O=C(N[C@H](CO)C1CC1)c1cc(F)c[n-]c1=O ZINC000857172922 588891490 /nfs/dbraw/zinc/89/14/90/588891490.db2.gz DWINJEDGKRUSIA-SECBINFHSA-N -1 3 240.234 0.427 20 0 BCADHM COC[C@]1(CO)CCN(c2cc(=O)[n-]cn2)C1 ZINC000894111282 583308979 /nfs/dbraw/zinc/30/89/79/583308979.db2.gz DAUHOVFEACIXSV-LLVKDONJSA-N -1 3 239.275 0.017 20 0 BCADHM CCNC(=S)NN=c1ncc(Cl)c[n-]1 ZINC000857201808 588892924 /nfs/dbraw/zinc/89/29/24/588892924.db2.gz DKQNTTAJEXOULZ-UHFFFAOYSA-N -1 3 231.712 0.941 20 0 BCADHM C[C@@H]1[C@@H](CO)CCCN1c1cc(=O)[n-]cn1 ZINC000894219822 583381433 /nfs/dbraw/zinc/38/14/33/583381433.db2.gz IBZFWXSEVOVRIJ-RKDXNWHRSA-N -1 3 223.276 0.779 20 0 BCADHM Cc1nc(N2CCO[C@H]([C@@H](C)O)C2)cc(=O)[n-]1 ZINC000894225541 583383590 /nfs/dbraw/zinc/38/35/90/583383590.db2.gz XUAZDTZAEFZHRK-APPZFPTMSA-N -1 3 239.275 0.077 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CC[C@H]1CCOC1 ZINC000857284656 588902907 /nfs/dbraw/zinc/90/29/07/588902907.db2.gz QBMBFYBXONIEAE-VIFPVBQESA-N -1 3 231.292 0.622 20 0 BCADHM CO[C@@H]1CC[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000879319893 583423541 /nfs/dbraw/zinc/42/35/41/583423541.db2.gz CJCSWLQTATVMSF-RKDXNWHRSA-N -1 3 240.307 0.108 20 0 BCADHM CO[C@@H](C)CC(=O)[N-]OC(C)(C)CO ZINC000857284883 588903504 /nfs/dbraw/zinc/90/35/04/588903504.db2.gz JYLRNHDJBBARRD-ZETCQYMHSA-N -1 3 205.254 0.230 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C[C@@H]1CCOC1 ZINC000857286398 588903824 /nfs/dbraw/zinc/90/38/24/588903824.db2.gz ZVLFHLZGQANNRM-VHSXEESVSA-N -1 3 231.292 0.478 20 0 BCADHM Cc1coc(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000894422224 583457815 /nfs/dbraw/zinc/45/78/15/583457815.db2.gz HOLQGMBPMPDTAI-JTQLQIEISA-N -1 3 249.270 0.324 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CC(C)(C)O ZINC000857285882 588904007 /nfs/dbraw/zinc/90/40/07/588904007.db2.gz MUTBCQPAXPLXBI-MRVPVSSYSA-N -1 3 219.281 0.212 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)c1cnns1 ZINC000857286481 588904137 /nfs/dbraw/zinc/90/41/37/588904137.db2.gz CGYGXJVERZMPLV-LURJTMIESA-N -1 3 231.277 0.216 20 0 BCADHM CO[C@@H](CNc1cc(=O)[n-]cn1)[C@@H]1CCOC1 ZINC000894482654 583469436 /nfs/dbraw/zinc/46/94/36/583469436.db2.gz DNPCTGPCMAWITR-BDAKNGLRSA-N -1 3 239.275 0.646 20 0 BCADHM O=c1cc(N2CCC3=C(CCC(=O)N3)C2)nc[n-]1 ZINC000894476222 583469765 /nfs/dbraw/zinc/46/97/65/583469765.db2.gz OATQCJSGJUZWFX-UHFFFAOYSA-N -1 3 246.270 0.556 20 0 BCADHM Cc1nc(N2CCc3nccnc3C2)cc(=O)[n-]1 ZINC000894618023 583495218 /nfs/dbraw/zinc/49/52/18/583495218.db2.gz UUOODASTGVLWOC-UHFFFAOYSA-N -1 3 243.270 0.843 20 0 BCADHM CCn1nncc1CNc1cc(=O)[n-]c(C)n1 ZINC000894698521 583510824 /nfs/dbraw/zinc/51/08/24/583510824.db2.gz AORQEUAQVRTVGU-UHFFFAOYSA-N -1 3 234.263 0.714 20 0 BCADHM Cc1nc(N2CC3(C2)CCCO3)cc(=O)[n-]1 ZINC000894731077 583513225 /nfs/dbraw/zinc/51/32/25/583513225.db2.gz NRGCXUGSZBIYAX-UHFFFAOYSA-N -1 3 221.260 0.860 20 0 BCADHM O=c1cc(NC[C@H](O)[C@H]2CCCO2)nc[n-]1 ZINC000894726841 583513642 /nfs/dbraw/zinc/51/36/42/583513642.db2.gz WKHAUZOTMPGQLJ-JGVFFNPUSA-N -1 3 225.248 0.134 20 0 BCADHM CON(C)C(=O)[C@@H](C)Nc1cc(=O)[n-]cn1 ZINC000894818966 583524757 /nfs/dbraw/zinc/52/47/57/583524757.db2.gz HRHYBTUZZHCUQF-ZCFIWIBFSA-N -1 3 226.236 0.002 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CC[C@@H]1CCOC1 ZINC000857285508 588903450 /nfs/dbraw/zinc/90/34/50/588903450.db2.gz DUXPBRVSOUUJGT-MNOVXSKESA-N -1 3 245.319 0.868 20 0 BCADHM C[C@H](O)CN1CCN(CCCCC(=O)[O-])CC1 ZINC000737701526 583582414 /nfs/dbraw/zinc/58/24/14/583582414.db2.gz DNUSLSGZLYZDCH-NSHDSACASA-N -1 3 244.335 0.240 20 0 BCADHM CC(C)O[C@]1(Cn2c([O-])coc2=O)CCOC1 ZINC000882276066 583603347 /nfs/dbraw/zinc/60/33/47/583603347.db2.gz AYLFCZBDZJCHAS-NSHDSACASA-N -1 3 243.259 0.549 20 0 BCADHM COC[C@@H]1CCCN1CCNC(=O)[O-] ZINC000142437118 583612016 /nfs/dbraw/zinc/61/20/16/583612016.db2.gz LTUDNQWRGGVHIC-QMMMGPOBSA-N -1 3 202.254 0.365 20 0 BCADHM Cc1nc(N2CCc3ncncc3C2)cc(=O)[n-]1 ZINC000895175368 583615405 /nfs/dbraw/zinc/61/54/05/583615405.db2.gz LPYFTWQZOAEFMF-UHFFFAOYSA-N -1 3 243.270 0.843 20 0 BCADHM O=c1cc(N[C@@H](CO)C[C@H]2CCCO2)nc[n-]1 ZINC000895203299 583624108 /nfs/dbraw/zinc/62/41/08/583624108.db2.gz WLHOTGYCXVLXOZ-RKDXNWHRSA-N -1 3 239.275 0.524 20 0 BCADHM O=C([N-]C1=NCCS1)[C@@H]1CCCOC1 ZINC000727704094 583741580 /nfs/dbraw/zinc/74/15/80/583741580.db2.gz DDJQCBZSJQUKJF-SSDOTTSWSA-N -1 3 214.290 0.632 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2C[C@H](C)CO2)[n-]1 ZINC000896001441 583760486 /nfs/dbraw/zinc/76/04/86/583760486.db2.gz YMXHMINNBCKYTE-NTSWFWBYSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2C[C@H](C)CO2)n1 ZINC000896001441 583760488 /nfs/dbraw/zinc/76/04/88/583760488.db2.gz YMXHMINNBCKYTE-NTSWFWBYSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nc(NC(=O)[C@H]2C[C@H](C)CO2)n[n-]1 ZINC000896001441 583760490 /nfs/dbraw/zinc/76/04/90/583760490.db2.gz YMXHMINNBCKYTE-NTSWFWBYSA-N -1 3 242.304 0.890 20 0 BCADHM Cc1cc(CCNc2cc(=O)[n-]cn2)nn1C ZINC000896024230 583762220 /nfs/dbraw/zinc/76/22/20/583762220.db2.gz UXMMHFHRINFTRU-UHFFFAOYSA-N -1 3 233.275 0.879 20 0 BCADHM CCC[C@H](O)CCN=c1ncnc2[nH][n-]cc1-2 ZINC000896192450 583782615 /nfs/dbraw/zinc/78/26/15/583782615.db2.gz WUBGXOYUVQFWSO-QMMMGPOBSA-N -1 3 235.291 0.689 20 0 BCADHM Cn1nnc2c1C[C@H](Nc1cc(=O)[n-]cn1)CC2 ZINC000896675366 583822378 /nfs/dbraw/zinc/82/23/78/583822378.db2.gz XFRIONWFFGGXMZ-SSDOTTSWSA-N -1 3 246.274 0.280 20 0 BCADHM Cc1n[nH]c(C)c1S(=O)(=O)[N-]CC(F)F ZINC000148015194 583823437 /nfs/dbraw/zinc/82/34/37/583823437.db2.gz KRSMVJNNLGYAIU-UHFFFAOYSA-N -1 3 239.247 0.570 20 0 BCADHM CO[N-]C(=O)CN[C@@H](C)[C@@H]1CC1(F)F ZINC000896924443 583857796 /nfs/dbraw/zinc/85/77/96/583857796.db2.gz MOIKHACKRZRFRE-WDSKDSINSA-N -1 3 208.208 0.297 20 0 BCADHM O=C(COCC(F)F)[N-]C1=NCCS1 ZINC000858170390 588936889 /nfs/dbraw/zinc/93/68/89/588936889.db2.gz JYOCKHUMYVUUQG-UHFFFAOYSA-N -1 3 224.232 0.487 20 0 BCADHM CO[N-]C(=O)CN[C@H](C)c1cnc(C)nc1C ZINC000896923744 583858569 /nfs/dbraw/zinc/85/85/69/583858569.db2.gz HQRBFBZQIMSSMI-SSDOTTSWSA-N -1 3 238.291 0.422 20 0 BCADHM CO[C@H]1CC[C@H]1N(C)c1nc2nncc-2c(O)[n-]1 ZINC000897148844 583884583 /nfs/dbraw/zinc/88/45/83/583884583.db2.gz JXDOAHCFDRISHW-SFYZADRCSA-N -1 3 249.274 0.672 20 0 BCADHM CC[C@@H](O)CN1CCC(N(C)C(=O)[O-])CC1 ZINC000737785397 583901038 /nfs/dbraw/zinc/90/10/38/583901038.db2.gz IDLNRZQXKWBYKI-SNVBAGLBSA-N -1 3 230.308 0.832 20 0 BCADHM CC1(C[N-]S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000866913030 583908418 /nfs/dbraw/zinc/90/84/18/583908418.db2.gz NDQXPENYGQNDCM-UHFFFAOYSA-N -1 3 240.350 0.349 20 0 BCADHM C[C@@H](Cn1cncn1)NCc1cncc([O-])c1 ZINC000897315104 583917816 /nfs/dbraw/zinc/91/78/16/583917816.db2.gz GQNUXXGXHVCLLU-VIFPVBQESA-N -1 3 233.275 0.557 20 0 BCADHM CC[C@@H](O)CN1CCC[C@@H](NC(=O)[O-])C1 ZINC000737787122 583920055 /nfs/dbraw/zinc/92/00/55/583920055.db2.gz RCLDELZORMJFLM-RKDXNWHRSA-N -1 3 216.281 0.489 20 0 BCADHM CC[C@H](O)CN1CCN(CCCC(=O)[O-])CC1 ZINC000737787377 583920472 /nfs/dbraw/zinc/92/04/72/583920472.db2.gz RWRFEVUEBRHTCD-NSHDSACASA-N -1 3 244.335 0.240 20 0 BCADHM CN1CCCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858312317 588944203 /nfs/dbraw/zinc/94/42/03/588944203.db2.gz UVMLUVIEXCEWOH-UHFFFAOYSA-N -1 3 242.710 0.978 20 0 BCADHM O=c1cc(N2CC[C@H](O)[C@H](F)C2)nc[n-]1 ZINC000897378112 583946793 /nfs/dbraw/zinc/94/67/93/583946793.db2.gz BIDRSKVAQXDTMG-RQJHMYQMSA-N -1 3 213.212 0.091 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@H]3COC[C@H]3C3CC3)c1-2 ZINC000897445755 583984852 /nfs/dbraw/zinc/98/48/52/583984852.db2.gz NEXQCPQPBPBMOA-UWVGGRQHSA-N -1 3 245.286 0.563 20 0 BCADHM COc1ccnc(CN2CC[C@@H](C(=O)[O-])C2)c1 ZINC000738142867 584010646 /nfs/dbraw/zinc/01/06/46/584010646.db2.gz PEMWJPFQKIUKPG-SECBINFHSA-N -1 3 236.271 0.997 20 0 BCADHM CC(=O)Oc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000729801642 584026070 /nfs/dbraw/zinc/02/60/70/584026070.db2.gz MNWZIJBPJQDZCQ-JTQLQIEISA-N -1 3 248.238 0.362 20 0 BCADHM CSCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205075 584091046 /nfs/dbraw/zinc/09/10/46/584091046.db2.gz JFUOEHAENSUHAJ-SSDOTTSWSA-N -1 3 241.316 0.794 20 0 BCADHM O=C(C1CC1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898208017 584091839 /nfs/dbraw/zinc/09/18/39/584091839.db2.gz WLWWJKCPQBNEOM-MRVPVSSYSA-N -1 3 221.260 0.841 20 0 BCADHM CO[C@H](C)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898210930 584092222 /nfs/dbraw/zinc/09/22/22/584092222.db2.gz KSKSOVUQKSODKW-SFYZADRCSA-N -1 3 239.275 0.466 20 0 BCADHM CN(C)C1CN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858462686 588956780 /nfs/dbraw/zinc/95/67/80/588956780.db2.gz OXXDJXGYNYGNSF-UHFFFAOYSA-N -1 3 228.683 0.586 20 0 BCADHM CN(C1CC1)S(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000669677905 584124474 /nfs/dbraw/zinc/12/44/74/584124474.db2.gz CWVPVXRJOHSSRH-UHFFFAOYSA-N -1 3 240.275 0.713 20 0 BCADHM C[C@H](CN(C)c1nccnc1F)c1nnn[n-]1 ZINC000858481545 588959429 /nfs/dbraw/zinc/95/94/29/588959429.db2.gz JGCHDBKAVKECKE-ZCFIWIBFSA-N -1 3 237.242 0.369 20 0 BCADHM C[C@H](CN(C)c1nccnc1F)c1nn[n-]n1 ZINC000858481545 588959430 /nfs/dbraw/zinc/95/94/30/588959430.db2.gz JGCHDBKAVKECKE-ZCFIWIBFSA-N -1 3 237.242 0.369 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc[nH]1 ZINC000898727973 584155888 /nfs/dbraw/zinc/15/58/88/584155888.db2.gz FSJPNZDERLVJEH-QMMMGPOBSA-N -1 3 234.259 0.257 20 0 BCADHM CC(C)(C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898731446 584155996 /nfs/dbraw/zinc/15/59/96/584155996.db2.gz OLRWWLQEAUPBKB-QMMMGPOBSA-N -1 3 225.292 0.661 20 0 BCADHM CCC(F)(F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898743966 584156035 /nfs/dbraw/zinc/15/60/35/584156035.db2.gz VXKAODMQRXGXRV-ZETCQYMHSA-N -1 3 247.245 0.660 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccccc1 ZINC000898729603 584156047 /nfs/dbraw/zinc/15/60/47/584156047.db2.gz ULLFYWSYXCGTOK-NSHDSACASA-N -1 3 245.282 0.928 20 0 BCADHM CC(C)[C@H](C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898733672 584156114 /nfs/dbraw/zinc/15/61/14/584156114.db2.gz TWFWUNMQKSZJJO-UWVGGRQHSA-N -1 3 239.319 0.907 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CC=CCC1 ZINC000898730345 584156152 /nfs/dbraw/zinc/15/61/52/584156152.db2.gz YRCFSAIQDWYAOC-QWRGUYRKSA-N -1 3 249.314 0.971 20 0 BCADHM CCCCC(=O)NCCCc1c[n-][nH]c1=O ZINC000898730312 584156175 /nfs/dbraw/zinc/15/61/75/584156175.db2.gz YNORPHRODVXRTM-SECBINFHSA-N -1 3 225.292 0.805 20 0 BCADHM O=C(CCCC(=O)C1CC1)[N-]OCCO ZINC000898939048 584166896 /nfs/dbraw/zinc/16/68/96/584166896.db2.gz GFKYYNYNURLMAP-UHFFFAOYSA-N -1 3 215.249 0.176 20 0 BCADHM O=C([N-]OCCO)[C@H]1CC12CCSCC2 ZINC000898939730 584167407 /nfs/dbraw/zinc/16/74/07/584167407.db2.gz VPIADPLGOUDIAU-MRVPVSSYSA-N -1 3 231.317 0.560 20 0 BCADHM C[C@H]1C(=O)N([N-]C(=O)CC(C)(F)F)C(=O)N1C ZINC000899035001 584172176 /nfs/dbraw/zinc/17/21/76/584172176.db2.gz HWOZMXRJQLALCL-YFKPBYRVSA-N -1 3 249.217 0.345 20 0 BCADHM COC[C@@H](C)[N-]c1nnc(-c2ncon2)o1 ZINC000899248659 584187999 /nfs/dbraw/zinc/18/79/99/584187999.db2.gz YNMSCGMUOQVVDK-RXMQYKEDSA-N -1 3 225.208 0.566 20 0 BCADHM C[C@@H](O)Cn1[n-]cc2c(=O)cccc-2c1=O ZINC000899352185 584199737 /nfs/dbraw/zinc/19/97/37/584199737.db2.gz ASQMPKMPDMJPJQ-SSDOTTSWSA-N -1 3 220.228 0.483 20 0 BCADHM C[C@@H](O)Cn1ncc2c([O-])cccc2c1=O ZINC000899352185 584199738 /nfs/dbraw/zinc/19/97/38/584199738.db2.gz ASQMPKMPDMJPJQ-SSDOTTSWSA-N -1 3 220.228 0.483 20 0 BCADHM Cc1[n-]n(-c2nc[nH]n2)c(=O)c1C(C)C ZINC000899351175 584203905 /nfs/dbraw/zinc/20/39/05/584203905.db2.gz BPFNPOITNCYSHI-SSDOTTSWSA-N -1 3 207.237 0.799 20 0 BCADHM CCc1cnc(S(=O)(=O)CCOC2CC2)[n-]1 ZINC000899482626 584218052 /nfs/dbraw/zinc/21/80/52/584218052.db2.gz IEVHPRFOQMGRRO-UHFFFAOYSA-N -1 3 244.316 0.925 20 0 BCADHM CCc1c[n-]c(S(=O)(=O)CCOC2CC2)n1 ZINC000899482626 584218054 /nfs/dbraw/zinc/21/80/54/584218054.db2.gz IEVHPRFOQMGRRO-UHFFFAOYSA-N -1 3 244.316 0.925 20 0 BCADHM C/C=C/[C@@H](O)C(=O)[N-]C1=NCCS1 ZINC000900006165 584264418 /nfs/dbraw/zinc/26/44/18/584264418.db2.gz QKNVTVFUOHDYKZ-YRFDSLTASA-N -1 3 200.263 0.142 20 0 BCADHM CC[C@H](O)[C@H](C)C(=O)[N-]C1=NCCS1 ZINC000900005826 584264431 /nfs/dbraw/zinc/26/44/31/584264431.db2.gz KLICURAFLLLCNF-BQBZGAKWSA-N -1 3 216.306 0.612 20 0 BCADHM O=C(c1cccc([N-]c2nn[nH]n2)c1)N1CCC1 ZINC000900008115 584265071 /nfs/dbraw/zinc/26/50/71/584265071.db2.gz ZMKTVGLNOLDGOD-UHFFFAOYSA-N -1 3 244.258 0.789 20 0 BCADHM CCn1cc(CNC2(C(=O)[O-])CC2)c(C)n1 ZINC000900022799 584267406 /nfs/dbraw/zinc/26/74/06/584267406.db2.gz MUSRHQVRIVJMAC-UHFFFAOYSA-N -1 3 223.276 0.918 20 0 BCADHM CCc1nc(C)c(CC(=O)[N-]OC)c(C)n1 ZINC000900105319 584275840 /nfs/dbraw/zinc/27/58/40/584275840.db2.gz UWNYPTNDFQRVRW-UHFFFAOYSA-N -1 3 223.276 0.876 20 0 BCADHM CC[C@@H](O)[C@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000900442716 584307954 /nfs/dbraw/zinc/30/79/54/584307954.db2.gz PCQMKLCPPJQGPW-NTSWFWBYSA-N -1 3 244.320 0.872 20 0 BCADHM CC[C@@H](O)[C@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000900442716 584307955 /nfs/dbraw/zinc/30/79/55/584307955.db2.gz PCQMKLCPPJQGPW-NTSWFWBYSA-N -1 3 244.320 0.872 20 0 BCADHM CC[C@@H](O)[C@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000900442716 584307956 /nfs/dbraw/zinc/30/79/56/584307956.db2.gz PCQMKLCPPJQGPW-NTSWFWBYSA-N -1 3 244.320 0.872 20 0 BCADHM CN(CC(=O)[O-])C(=O)[C@H](N)C1CCCCCC1 ZINC000900453763 584313089 /nfs/dbraw/zinc/31/30/89/584313089.db2.gz MMWXRQYKMVCPSJ-LLVKDONJSA-N -1 3 242.319 0.827 20 0 BCADHM CC[C@H](C(=O)NCc1cncc([O-])c1)[C@@H](C)O ZINC000900719419 584344638 /nfs/dbraw/zinc/34/46/38/584344638.db2.gz MQUSPLCVGLXKMJ-KCJUWKMLSA-N -1 3 238.287 0.810 20 0 BCADHM CC(C)NCC(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000901034686 584376086 /nfs/dbraw/zinc/37/60/86/584376086.db2.gz KVXCDZVNTFLOCI-UHFFFAOYSA-N -1 3 248.348 0.373 20 0 BCADHM NCCS(=O)(=O)[N-]C(=O)C[C@@H]1CC=CCC1 ZINC000901099463 584381175 /nfs/dbraw/zinc/38/11/75/584381175.db2.gz RSPBJANWWNJJME-SECBINFHSA-N -1 3 246.332 0.138 20 0 BCADHM NCCS(=O)(=O)[N-]C(=O)CC1CCCCC1 ZINC000901094209 584384036 /nfs/dbraw/zinc/38/40/36/584384036.db2.gz OOPCQOIBTWBGHP-UHFFFAOYSA-N -1 3 248.348 0.362 20 0 BCADHM NCCS(=O)(=O)[N-]C(=O)CCC1CCCC1 ZINC000901094072 584384137 /nfs/dbraw/zinc/38/41/37/584384137.db2.gz MHCSCVYXEDDWIH-UHFFFAOYSA-N -1 3 248.348 0.362 20 0 BCADHM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)CCN ZINC000901095860 584384851 /nfs/dbraw/zinc/38/48/51/584384851.db2.gz LTVMWJPQQMFAPR-MRVPVSSYSA-N -1 3 236.337 0.217 20 0 BCADHM Cc1cscc1C(=O)[N-]S(=O)(=O)CCN ZINC000901096341 584384959 /nfs/dbraw/zinc/38/49/59/584384959.db2.gz CQTJDBIMDJKNIY-UHFFFAOYSA-N -1 3 248.329 0.075 20 0 BCADHM COc1nc(NC(=O)CN(C)C2CCC2)n[n-]1 ZINC000901286868 584422080 /nfs/dbraw/zinc/42/20/80/584422080.db2.gz LAMKCBLYMKEWCD-UHFFFAOYSA-N -1 3 239.279 0.236 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)C(=O)CN(C)CC(C)(C)C ZINC000901450212 584448393 /nfs/dbraw/zinc/44/83/93/584448393.db2.gz MHNTYOCXOGYAQT-VIFPVBQESA-N -1 3 244.335 0.896 20 0 BCADHM CCO[C@H](C)Sc1n[n-]c(CO)n1 ZINC000901537874 584460699 /nfs/dbraw/zinc/46/06/99/584460699.db2.gz RHPNBPLQNBDHOA-YFKPBYRVSA-N -1 3 203.267 0.772 20 0 BCADHM O=C(NCCSCCc1nnn[n-]1)C1CC1 ZINC000901565243 584463687 /nfs/dbraw/zinc/46/36/87/584463687.db2.gz JRHRBBJHJVMIAX-UHFFFAOYSA-N -1 3 241.320 0.002 20 0 BCADHM O=C(NCCSCCc1nn[n-]n1)C1CC1 ZINC000901565243 584463689 /nfs/dbraw/zinc/46/36/89/584463689.db2.gz JRHRBBJHJVMIAX-UHFFFAOYSA-N -1 3 241.320 0.002 20 0 BCADHM COC1CC(C(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000858986482 588988353 /nfs/dbraw/zinc/98/83/53/588988353.db2.gz IHDWNCMWPYATJB-RTBKNWGFSA-N -1 3 229.276 0.986 20 0 BCADHM C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C(=O)[O-] ZINC000902022117 584514587 /nfs/dbraw/zinc/51/45/87/584514587.db2.gz LKDANZDTTOQJEM-VIFPVBQESA-N -1 3 244.335 0.801 20 0 BCADHM Cc1noc([N-]Cc2c3c(nn2C)CCOC3)n1 ZINC000902037981 584515070 /nfs/dbraw/zinc/51/50/70/584515070.db2.gz UYPCUOZBRQYQRB-UHFFFAOYSA-N -1 3 249.274 0.796 20 0 BCADHM CC[C@@H](C(=O)N(CC(=O)[O-])C1CCC1)N(C)C ZINC000902031030 584519125 /nfs/dbraw/zinc/51/91/25/584519125.db2.gz GVINPFTXCHYRPZ-JTQLQIEISA-N -1 3 242.319 0.792 20 0 BCADHM C[C@H](O)[C@H](O)CNCc1cc([O-])cc(Cl)c1 ZINC000902632515 584647934 /nfs/dbraw/zinc/64/79/34/584647934.db2.gz NXQSWMHGZYJMNU-WRWORJQWSA-N -1 3 245.706 0.877 20 0 BCADHM CC(C)[C@@H](C(=O)NC1CC(C(=O)[O-])C1)N(C)C ZINC000902652393 584651262 /nfs/dbraw/zinc/65/12/62/584651262.db2.gz BVHHDDTUHHZLRA-RTBKNWGFSA-N -1 3 242.319 0.552 20 0 BCADHM CC(C)[C@H](C(=O)NC1CC(C(=O)[O-])C1)N(C)C ZINC000902652394 584651489 /nfs/dbraw/zinc/65/14/89/584651489.db2.gz BVHHDDTUHHZLRA-UDNWOFFPSA-N -1 3 242.319 0.552 20 0 BCADHM Cc1nc(COC(=O)c2csc(=O)[n-]2)no1 ZINC000903246137 584738398 /nfs/dbraw/zinc/73/83/98/584738398.db2.gz RFMPCMKWVYTYON-UHFFFAOYSA-N -1 3 241.228 0.897 20 0 BCADHM Cc1cnccc1CN[C@]1(C(=O)[O-])CCOC1 ZINC000904009309 584837381 /nfs/dbraw/zinc/83/73/81/584837381.db2.gz DBIQGJQASMCVDZ-GFCCVEGCSA-N -1 3 236.271 0.723 20 0 BCADHM Cc1n[nH]cc1CN[C@@]1(C(=O)[O-])CCOC1 ZINC000904009942 584837550 /nfs/dbraw/zinc/83/75/50/584837550.db2.gz LOBRZUCZEPCJGO-JTQLQIEISA-N -1 3 225.248 0.051 20 0 BCADHM Cc1ncc(CNC2(C(=O)[O-])CCC2)n1C ZINC000904009770 584837602 /nfs/dbraw/zinc/83/76/02/584837602.db2.gz JDDAIBOGGMLHTB-UHFFFAOYSA-N -1 3 223.276 0.825 20 0 BCADHM CC(C)N1CCC[C@H]1C(=O)[N-]c1nnnn1C ZINC000904189219 584848391 /nfs/dbraw/zinc/84/83/91/584848391.db2.gz FKLOMBHSFDBDQO-QMMMGPOBSA-N -1 3 238.295 0.021 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1(C)CC(F)(F)C1 ZINC000904189968 584848603 /nfs/dbraw/zinc/84/86/03/584848603.db2.gz BOLYUOQBEYQSTL-UHFFFAOYSA-N -1 3 231.206 0.584 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000904190053 584848833 /nfs/dbraw/zinc/84/88/33/584848833.db2.gz CMWUGMPZOKUENM-RNFRBKRXSA-N -1 3 233.231 0.545 20 0 BCADHM CCC[C@@H](CC)C(=O)[N-]c1nnnn1C ZINC000904190022 584848941 /nfs/dbraw/zinc/84/89/41/584848941.db2.gz CEEQOHSEUIFGEK-SSDOTTSWSA-N -1 3 211.269 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@H]1CC=CCC1 ZINC000904189714 584849049 /nfs/dbraw/zinc/84/90/49/584849049.db2.gz XPMMVHQFDLKTJM-QMMMGPOBSA-N -1 3 221.264 0.895 20 0 BCADHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904191612 584849308 /nfs/dbraw/zinc/84/93/08/584849308.db2.gz UZFQZLANITYKGM-CWKFCGSDSA-N -1 3 221.264 0.441 20 0 BCADHM Cc1ccncc1CC(=O)[N-]c1nnnn1C ZINC000904192095 584849319 /nfs/dbraw/zinc/84/93/19/584849319.db2.gz ZQCKMYINQTVKAT-UHFFFAOYSA-N -1 3 232.247 0.095 20 0 BCADHM Cc1ccc(CC(=O)[N-]c2nnnn2C)o1 ZINC000904194314 584849648 /nfs/dbraw/zinc/84/96/48/584849648.db2.gz BJDLWOPDVOSXBN-UHFFFAOYSA-N -1 3 221.220 0.293 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000904193191 584849803 /nfs/dbraw/zinc/84/98/03/584849803.db2.gz CBIJITGZGDESMA-SECBINFHSA-N -1 3 247.233 0.628 20 0 BCADHM Cc1cncc(CCC(=O)[N-]c2nnnn2C)c1 ZINC000904193388 584849919 /nfs/dbraw/zinc/84/99/19/584849919.db2.gz HBJUQZDJZOYVAA-UHFFFAOYSA-N -1 3 246.274 0.485 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCCC1(C)C ZINC000904195123 584850150 /nfs/dbraw/zinc/85/01/50/584850150.db2.gz JSQZILMWIIBSAQ-ZETCQYMHSA-N -1 3 223.280 0.975 20 0 BCADHM COC1(C(=O)[N-]c2nnnn2C)CCCCC1 ZINC000904195384 584850163 /nfs/dbraw/zinc/85/01/63/584850163.db2.gz LYOFFOXQYWMCHJ-UHFFFAOYSA-N -1 3 239.279 0.498 20 0 BCADHM CC(C)[C@H]1C[C@H]1C(=O)[N-]c1nnnn1C ZINC000904194738 584850233 /nfs/dbraw/zinc/85/02/33/584850233.db2.gz DTCCXCKHFKGYLQ-RNFRBKRXSA-N -1 3 209.253 0.441 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1CCC(F)(F)CC1 ZINC000904194659 584850291 /nfs/dbraw/zinc/85/02/91/584850291.db2.gz JOAWCCJATQJFHT-UHFFFAOYSA-N -1 3 245.233 0.974 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@@H]1C=CCCC1 ZINC000904195704 584850354 /nfs/dbraw/zinc/85/03/54/584850354.db2.gz PFNPGDORHCFMAL-MRVPVSSYSA-N -1 3 221.264 0.895 20 0 BCADHM C[C@@H]1CC[C@H](CC(=O)[N-]c2nnnn2C)C1 ZINC000904194999 584850370 /nfs/dbraw/zinc/85/03/70/584850370.db2.gz PQPYKHJJLATHKG-SFYZADRCSA-N -1 3 223.280 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1CC(F)(F)C1 ZINC000904194861 584850409 /nfs/dbraw/zinc/85/04/09/584850409.db2.gz OGDUXDXGRSPPCR-UHFFFAOYSA-N -1 3 217.179 0.194 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H](F)Cc1ccccc1 ZINC000904196116 584850492 /nfs/dbraw/zinc/85/04/92/584850492.db2.gz SYWMGULODGABPO-SECBINFHSA-N -1 3 249.249 0.729 20 0 BCADHM CCS[C@@H](C(=O)[N-]c1nnnn1C)C(C)C ZINC000904199123 584851024 /nfs/dbraw/zinc/85/10/24/584851024.db2.gz GVTQGRHQQNBXPN-SSDOTTSWSA-N -1 3 243.336 0.926 20 0 BCADHM CCC[C@@H](C)CC(=O)[N-]c1nnnn1C ZINC000904200359 584851095 /nfs/dbraw/zinc/85/10/95/584851095.db2.gz SRXAHJZDFOALSI-SSDOTTSWSA-N -1 3 211.269 0.975 20 0 BCADHM CC(C)CO[C@@H](C)C(=O)[N-]c1nnnn1C ZINC000904199534 584851103 /nfs/dbraw/zinc/85/11/03/584851103.db2.gz LQTWXIWMNNVGKU-ZETCQYMHSA-N -1 3 227.268 0.210 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CCc2ccccc21 ZINC000904199072 584851129 /nfs/dbraw/zinc/85/11/29/584851129.db2.gz DZSYSIBUHYMVNS-JTQLQIEISA-N -1 3 243.270 0.879 20 0 BCADHM C[C@H]1CCC[C@H](C(=O)[N-]c2nnnn2C)C1 ZINC000904198995 584851151 /nfs/dbraw/zinc/85/11/51/584851151.db2.gz MIWCMDMEARUMDU-YUMQZZPRSA-N -1 3 223.280 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1CCSCC1 ZINC000904199279 584851170 /nfs/dbraw/zinc/85/11/70/584851170.db2.gz OLJBMHOBJQWBIG-UHFFFAOYSA-N -1 3 227.293 0.292 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000904199673 584851235 /nfs/dbraw/zinc/85/12/35/584851235.db2.gz RBZXPBFVKGXUGG-JIGDXULJSA-N -1 3 221.264 0.585 20 0 BCADHM Cc1ccc([C@@H](C)C(=O)[N-]c2nnnn2C)o1 ZINC000904199028 584851306 /nfs/dbraw/zinc/85/13/06/584851306.db2.gz MVSYMPHZSPHGOB-SSDOTTSWSA-N -1 3 235.247 0.854 20 0 BCADHM C[C@H](C(=O)[N-]c1nnnn1C)C(C)(C)C ZINC000904199413 584851311 /nfs/dbraw/zinc/85/13/11/584851311.db2.gz PWIZUBSRMMEYAK-ZCFIWIBFSA-N -1 3 211.269 0.831 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CC1(Cl)Cl ZINC000904203041 584851419 /nfs/dbraw/zinc/85/14/19/584851419.db2.gz BIQGHQDKKHNFII-VKHMYHEASA-N -1 3 236.062 0.342 20 0 BCADHM CC(C)COCCC(=O)[N-]c1nnnn1C ZINC000904204393 584852025 /nfs/dbraw/zinc/85/20/25/584852025.db2.gz JTHBIUITLGZXFS-UHFFFAOYSA-N -1 3 227.268 0.211 20 0 BCADHM CC(C)(C(=O)[N-]C1=NCCS1)c1c[nH]cn1 ZINC000788274576 584884605 /nfs/dbraw/zinc/88/46/05/584884605.db2.gz NYUWMLCNFBIARZ-UHFFFAOYSA-N -1 3 238.316 0.906 20 0 BCADHM CC(C)[C@H]1CCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000826735238 584895243 /nfs/dbraw/zinc/89/52/43/584895243.db2.gz BYFFSYAFZBSBQY-ZJUUUORDSA-N -1 3 242.319 0.554 20 0 BCADHM CCCCCCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000829558586 584907555 /nfs/dbraw/zinc/90/75/55/584907555.db2.gz ADGDFOKXLSYILG-SECBINFHSA-N -1 3 248.348 0.974 20 0 BCADHM COC(=O)/C(C)=C\CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000831052938 584908954 /nfs/dbraw/zinc/90/89/54/584908954.db2.gz FVQSONBAIQIVCT-TWLAMCEISA-N -1 3 241.287 0.902 20 0 BCADHM O=C([O-])NCCN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000832642047 584911839 /nfs/dbraw/zinc/91/18/39/584911839.db2.gz SYHFZJOLQNCKDE-ZYHUDNBSSA-N -1 3 242.319 0.881 20 0 BCADHM C[C@H]1CN(Cc2ccc(CO)o2)C[C@@H]1C(=O)[O-] ZINC000833630006 584912890 /nfs/dbraw/zinc/91/28/90/584912890.db2.gz OGHNCRSQLARRMN-KWQFWETISA-N -1 3 239.271 0.924 20 0 BCADHM C[C@H]1CN(Cc2ccc(CO)o2)C[C@H]1C(=O)[O-] ZINC000833630004 584912932 /nfs/dbraw/zinc/91/29/32/584912932.db2.gz OGHNCRSQLARRMN-GZMMTYOYSA-N -1 3 239.271 0.924 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@H]2CCCOC2)CC1 ZINC000808024611 584914401 /nfs/dbraw/zinc/91/44/01/584914401.db2.gz MNQVKEPPXJIKBA-JTQLQIEISA-N -1 3 242.319 0.555 20 0 BCADHM COCCN1CCC[C@@H]1CNC(=O)[O-] ZINC000737814928 584925974 /nfs/dbraw/zinc/92/59/74/584925974.db2.gz ZUZARGOSJYAINU-MRVPVSSYSA-N -1 3 202.254 0.365 20 0 BCADHM O=C(Cc1cccnc1)[N-]C1=NCCS1 ZINC000731868207 584930572 /nfs/dbraw/zinc/93/05/72/584930572.db2.gz REPHSZPYBTYOEV-UHFFFAOYSA-N -1 3 221.285 0.843 20 0 BCADHM CCC[C@H](C)CS(=O)(=O)[N-][C@H]1CCOC1=O ZINC000733311697 584946699 /nfs/dbraw/zinc/94/66/99/584946699.db2.gz OSXFXKSJOPXJIC-IUCAKERBSA-N -1 3 249.332 0.658 20 0 BCADHM C[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000736038594 584987227 /nfs/dbraw/zinc/98/72/27/584987227.db2.gz WCCVNUYLMCSECJ-LURJTMIESA-N -1 3 237.238 0.799 20 0 BCADHM C[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000736038594 584987228 /nfs/dbraw/zinc/98/72/28/584987228.db2.gz WCCVNUYLMCSECJ-LURJTMIESA-N -1 3 237.238 0.799 20 0 BCADHM C[C@H]1C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736235523 584993506 /nfs/dbraw/zinc/99/35/06/584993506.db2.gz GACOMKVJYUBULI-RCOVLWMOSA-N -1 3 244.258 0.400 20 0 BCADHM C[C@H]1C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736235523 584993507 /nfs/dbraw/zinc/99/35/07/584993507.db2.gz GACOMKVJYUBULI-RCOVLWMOSA-N -1 3 244.258 0.400 20 0 BCADHM CC(C)[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N(C)C ZINC000736346842 584998481 /nfs/dbraw/zinc/99/84/81/584998481.db2.gz AEJHYBKMUJTCPM-NXEZZACHSA-N -1 3 242.319 0.506 20 0 BCADHM CC(C)N(CC(=O)NCCC(=O)[O-])C1CCC1 ZINC000736458075 585003015 /nfs/dbraw/zinc/00/30/15/585003015.db2.gz XJZVNWFLFPNHRO-UHFFFAOYSA-N -1 3 242.319 0.840 20 0 BCADHM CC(C)N(CCC(=O)[O-])CN1CCOC1=S ZINC000736467847 585003686 /nfs/dbraw/zinc/00/36/86/585003686.db2.gz HOANQHYEWQDBQD-UHFFFAOYSA-N -1 3 246.332 0.746 20 0 BCADHM C[C@@H](CNC(=O)CCNC(=O)[O-])N(C)C1CC1 ZINC000736594825 585006634 /nfs/dbraw/zinc/00/66/34/585006634.db2.gz BNRICRSXZCOXCJ-QMMMGPOBSA-N -1 3 243.307 0.243 20 0 BCADHM CC(C)[C@H](C(=O)NC[C@H](C)C(=O)[O-])N(C)C ZINC000736593021 585006708 /nfs/dbraw/zinc/00/67/08/585006708.db2.gz MCJSTUHZMCQYHD-DTWKUNHWSA-N -1 3 230.308 0.410 20 0 BCADHM C[C@@H](CNC(=O)CN(C)C(=O)[O-])N(C)C1CC1 ZINC000736596035 585007009 /nfs/dbraw/zinc/00/70/09/585007009.db2.gz UFLAWLZREGVDBK-QMMMGPOBSA-N -1 3 243.307 0.195 20 0 BCADHM C[C@H]1C[C@H](C)CN(CC(=O)NCCC(=O)[O-])C1 ZINC000736751903 585011721 /nfs/dbraw/zinc/01/17/21/585011721.db2.gz YPIWSVBLZJFHCA-UWVGGRQHSA-N -1 3 242.319 0.555 20 0 BCADHM CN(CC(F)F)c1ccc(-c2nnn[n-]2)cn1 ZINC000736789334 585014434 /nfs/dbraw/zinc/01/44/34/585014434.db2.gz XOKHBMGRJGWKAJ-UHFFFAOYSA-N -1 3 240.217 0.963 20 0 BCADHM CN(CC(F)F)c1ccc(-c2nn[n-]n2)cn1 ZINC000736789334 585014435 /nfs/dbraw/zinc/01/44/35/585014435.db2.gz XOKHBMGRJGWKAJ-UHFFFAOYSA-N -1 3 240.217 0.963 20 0 BCADHM O=C([O-])CCNCc1cnc2cnccn12 ZINC000821524995 585016462 /nfs/dbraw/zinc/01/64/62/585016462.db2.gz KQZPZFHWWYIXMI-UHFFFAOYSA-N -1 3 220.232 0.294 20 0 BCADHM CC[C@@H]1CN(CCC(=O)[O-])CCN1CCOC ZINC000736943351 585019793 /nfs/dbraw/zinc/01/97/93/585019793.db2.gz LDWOURAXNUKILE-LLVKDONJSA-N -1 3 244.335 0.504 20 0 BCADHM CCCN(C)CC(=O)N(C)C(C)(C)C(=O)[O-] ZINC000737007467 585022253 /nfs/dbraw/zinc/02/22/53/585022253.db2.gz JEGRDNJQKOTZTC-UHFFFAOYSA-N -1 3 230.308 0.650 20 0 BCADHM CCN1CCCC[C@@H]1CNC(=O)CNC(=O)[O-] ZINC000737114734 585025947 /nfs/dbraw/zinc/02/59/47/585025947.db2.gz FHKBMYDTHTUMID-SECBINFHSA-N -1 3 243.307 0.245 20 0 BCADHM CCOCCN1CCN([C@H](C)C(=O)[O-])C[C@H]1C ZINC000737175697 585026857 /nfs/dbraw/zinc/02/68/57/585026857.db2.gz BLOYSRYYNIXVGV-GHMZBOCLSA-N -1 3 244.335 0.502 20 0 BCADHM CN(CCNC(=O)CCCNC(=O)[O-])C1CC1 ZINC000737442711 585032370 /nfs/dbraw/zinc/03/23/70/585032370.db2.gz IKCVWMGFKDSMHQ-UHFFFAOYSA-N -1 3 243.307 0.245 20 0 BCADHM CN1CCC[C@H](CNC(=O)CCNC(=O)[O-])C1 ZINC000737513991 585034540 /nfs/dbraw/zinc/03/45/40/585034540.db2.gz BASLHKWAFVOSCF-SECBINFHSA-N -1 3 243.307 0.102 20 0 BCADHM CN1CCC[C@H](NC(=O)CCCNC(=O)[O-])C1 ZINC000737521133 585034695 /nfs/dbraw/zinc/03/46/95/585034695.db2.gz NIEQBGICSDVNII-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM NC(=O)CCSc1ccc(-c2nnn[n-]2)cc1 ZINC000737748239 585038073 /nfs/dbraw/zinc/03/80/73/585038073.db2.gz QJEWPBWWKIJDRV-UHFFFAOYSA-N -1 3 249.299 0.834 20 0 BCADHM NC(=O)CCSc1ccc(-c2nn[n-]n2)cc1 ZINC000737748239 585038074 /nfs/dbraw/zinc/03/80/74/585038074.db2.gz QJEWPBWWKIJDRV-UHFFFAOYSA-N -1 3 249.299 0.834 20 0 BCADHM O=C(NC1CC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738023006 585040403 /nfs/dbraw/zinc/04/04/03/585040403.db2.gz UTQMGESWXBSBOH-UHFFFAOYSA-N -1 3 230.231 0.154 20 0 BCADHM O=C(NC1CC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738023006 585040404 /nfs/dbraw/zinc/04/04/04/585040404.db2.gz UTQMGESWXBSBOH-UHFFFAOYSA-N -1 3 230.231 0.154 20 0 BCADHM COC[C@@H](C)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788116659 585069730 /nfs/dbraw/zinc/06/97/30/585069730.db2.gz QVOXSKVDOMQBKA-VHSXEESVSA-N -1 3 231.292 0.743 20 0 BCADHM O=C(CCn1cncn1)NCc1cncc([O-])c1 ZINC000886282009 585117168 /nfs/dbraw/zinc/11/71/68/585117168.db2.gz SRCHHJMVRJRCBR-UHFFFAOYSA-N -1 3 247.258 0.085 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CC1CCOCC1 ZINC000788219924 585141776 /nfs/dbraw/zinc/14/17/76/585141776.db2.gz KZZAFQBMUONVAD-UHFFFAOYSA-N -1 3 231.292 0.622 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1CC12CCOCC2 ZINC000788223742 585142035 /nfs/dbraw/zinc/14/20/35/585142035.db2.gz OGWRLBSAJDRRHA-VIFPVBQESA-N -1 3 243.303 0.622 20 0 BCADHM CO[N-]C(=O)CCc1nc(CSC)no1 ZINC000746802265 585172732 /nfs/dbraw/zinc/17/27/32/585172732.db2.gz ZOEGMOCPNTZOER-UHFFFAOYSA-N -1 3 231.277 0.543 20 0 BCADHM CCCCn1nnnc1CO[N-]C(C)=O ZINC000747859744 585185204 /nfs/dbraw/zinc/18/52/04/585185204.db2.gz XUMPTLVHDULXOM-UHFFFAOYSA-N -1 3 213.241 0.041 20 0 BCADHM O=C(C[N-]S(=O)(=O)CC1CC1)OCC1CC1 ZINC000748058162 585186825 /nfs/dbraw/zinc/18/68/25/585186825.db2.gz DZEAJHAGDDKEHC-UHFFFAOYSA-N -1 3 247.316 0.269 20 0 BCADHM COCCO[N-]C(=O)CCC1CCOCC1 ZINC000748774381 585195454 /nfs/dbraw/zinc/19/54/54/585195454.db2.gz QTBMJINUXCSABK-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM COCCO[N-]C(=O)CC1(O)CCCC1 ZINC000748773129 585195626 /nfs/dbraw/zinc/19/56/26/585195626.db2.gz YPEWTWNJKPSHBN-UHFFFAOYSA-N -1 3 217.265 0.376 20 0 BCADHM COCCON=C([O-])Nc1ccc(OC)nc1 ZINC000749017164 585198273 /nfs/dbraw/zinc/19/82/73/585198273.db2.gz PSCNMQIRLBFSGR-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM COCCO[N-]C(=O)Nc1ccc(OC)nc1 ZINC000749017164 585198274 /nfs/dbraw/zinc/19/82/74/585198274.db2.gz PSCNMQIRLBFSGR-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM COCCON=C([O-])Nc1ccccn1 ZINC000749017188 585198356 /nfs/dbraw/zinc/19/83/56/585198356.db2.gz QYGDPXRSTVRHMR-UHFFFAOYSA-N -1 3 211.221 0.781 20 0 BCADHM COCCO[N-]C(=O)Nc1ccccn1 ZINC000749017188 585198357 /nfs/dbraw/zinc/19/83/57/585198357.db2.gz QYGDPXRSTVRHMR-UHFFFAOYSA-N -1 3 211.221 0.781 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC000750722563 585218647 /nfs/dbraw/zinc/21/86/47/585218647.db2.gz RJTRINLHQRQONU-MRVPVSSYSA-N -1 3 224.264 0.217 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCC(C)C ZINC000752881290 585251111 /nfs/dbraw/zinc/25/11/11/585251111.db2.gz MXAMEZBCASTKIV-QMMMGPOBSA-N -1 3 234.321 0.440 20 0 BCADHM CCn1c(SCC[S@](C)=O)n[n-]c1=O ZINC000752934431 585251506 /nfs/dbraw/zinc/25/15/06/585251506.db2.gz QKTHHYRIDHOAHU-AWEZNQCLSA-N -1 3 235.334 0.474 20 0 BCADHM CCO[C@@H](C)c1noc(CO[N-]C(C)=O)n1 ZINC000753119398 585253930 /nfs/dbraw/zinc/25/39/30/585253930.db2.gz ULNKKJJQCLPQDV-LURJTMIESA-N -1 3 229.236 0.735 20 0 BCADHM COCCCO[N-]C(=O)C1(CCOC)CC1 ZINC000805039623 585257273 /nfs/dbraw/zinc/25/72/73/585257273.db2.gz IEGRRZFJNLFLAG-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM COCCO[N-]C(=O)CC[C@]1(C)CCC(=O)N1 ZINC000753418145 585258394 /nfs/dbraw/zinc/25/83/94/585258394.db2.gz JWPVXOBQJIJIRM-NSHDSACASA-N -1 3 244.291 0.130 20 0 BCADHM Cc1ccc(O)c([N-]C(=O)c2cccc[n+]2[O-])n1 ZINC000753469416 585259232 /nfs/dbraw/zinc/25/92/32/585259232.db2.gz IPANLTMVEBVDQL-UHFFFAOYSA-N -1 3 245.238 0.981 20 0 BCADHM Cc1ccc([O-])c(NC(=O)c2cccc[n+]2[O-])n1 ZINC000753469416 585259233 /nfs/dbraw/zinc/25/92/33/585259233.db2.gz IPANLTMVEBVDQL-UHFFFAOYSA-N -1 3 245.238 0.981 20 0 BCADHM C[C@@]1(C(=O)[N-]C2=NCCS2)CCOC1 ZINC000754057503 585276698 /nfs/dbraw/zinc/27/66/98/585276698.db2.gz JRFCTRXUEBPUJB-SECBINFHSA-N -1 3 214.290 0.632 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CCC2CCC2)c1 ZINC000756196039 585315555 /nfs/dbraw/zinc/31/55/55/585315555.db2.gz CDHBHOMYSQJXGO-UHFFFAOYSA-N -1 3 243.332 0.889 20 0 BCADHM C[C@H](CO)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756532341 585320609 /nfs/dbraw/zinc/32/06/09/585320609.db2.gz UOTPWQMBTQGGSG-RXMQYKEDSA-N -1 3 236.243 0.732 20 0 BCADHM C[C@@H](O)C[N-]C(=O)C(F)(F)c1nccs1 ZINC000756530525 585320628 /nfs/dbraw/zinc/32/06/28/585320628.db2.gz NUFSHDHFMIOJBG-RXMQYKEDSA-N -1 3 236.243 0.732 20 0 BCADHM O=C(NC1=NCCS1)c1c([O-])cccc1O ZINC000756763537 585322951 /nfs/dbraw/zinc/32/29/51/585322951.db2.gz BEEHCVHVJCUXRY-UHFFFAOYSA-N -1 3 238.268 0.930 20 0 BCADHM NC(=O)CO[N-]C(=O)Cc1cccc(C2CC2)c1 ZINC000839719293 585338346 /nfs/dbraw/zinc/33/83/46/585338346.db2.gz XTWRLDWEQBZFSY-UHFFFAOYSA-N -1 3 248.282 0.640 20 0 BCADHM NC(=O)CON=C([O-])Nc1ccsc1 ZINC000757657690 585344061 /nfs/dbraw/zinc/34/40/61/585344061.db2.gz NJALJKVBYSOIQQ-UHFFFAOYSA-N -1 3 215.234 0.287 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccsc1 ZINC000757657690 585344062 /nfs/dbraw/zinc/34/40/62/585344062.db2.gz NJALJKVBYSOIQQ-UHFFFAOYSA-N -1 3 215.234 0.287 20 0 BCADHM Cc1cc([O-])ccc1C(=O)O[C@@H]1CCNC1=O ZINC000758531256 585357046 /nfs/dbraw/zinc/35/70/46/585357046.db2.gz LWASIGALXJAXCG-SNVBAGLBSA-N -1 3 235.239 0.746 20 0 BCADHM Cc1nc(=NC(=O)c2cc3occc3[n-]2)n(C)[nH]1 ZINC000758718539 585359107 /nfs/dbraw/zinc/35/91/07/585359107.db2.gz PVEBSGJDSPSAQF-UHFFFAOYSA-N -1 3 245.242 0.872 20 0 BCADHM O=C(CCCn1cncn1)[N-]OCC(F)F ZINC000759342070 585369181 /nfs/dbraw/zinc/36/91/81/585369181.db2.gz KMILXNNPNTZABO-UHFFFAOYSA-N -1 3 234.206 0.371 20 0 BCADHM COCCO[N-]C(=O)C1(CCOC)CCC1 ZINC000760708123 585395939 /nfs/dbraw/zinc/39/59/39/585395939.db2.gz WAQOLARNWBWPIQ-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3ccoc3)C[C@@H]12 ZINC000761215618 585412613 /nfs/dbraw/zinc/41/26/13/585412613.db2.gz HAVUPJZDMLDJFI-VIFPVBQESA-N -1 3 235.243 0.016 20 0 BCADHM CCN(CCOC)Cc1nc(C)cc(=O)[n-]1 ZINC000761861803 585421075 /nfs/dbraw/zinc/42/10/75/585421075.db2.gz XGNGHEOCVFULRW-UHFFFAOYSA-N -1 3 225.292 0.959 20 0 BCADHM O=C(OC[C@@H]1COC(=O)O1)c1cncc([O-])c1 ZINC000763969847 585457969 /nfs/dbraw/zinc/45/79/69/585457969.db2.gz FOLBMCCJUJABID-MRVPVSSYSA-N -1 3 239.183 0.479 20 0 BCADHM C/C=C\C[C@@H]([N-]S(C)(=O)=O)C(=O)OCC ZINC000765945112 585494356 /nfs/dbraw/zinc/49/43/56/585494356.db2.gz KDTQYCRCBJGOON-RZAAKKIOSA-N -1 3 235.305 0.434 20 0 BCADHM CC[C@H](C(=O)[N-]S(C)(=O)=O)N(CC)CC ZINC000765967490 585494888 /nfs/dbraw/zinc/49/48/88/585494888.db2.gz QTNHKWLPHZJITL-MRVPVSSYSA-N -1 3 236.337 0.183 20 0 BCADHM CO[N-]C(=O)Cc1ccccc1NC(C)=O ZINC000767511074 585521593 /nfs/dbraw/zinc/52/15/93/585521593.db2.gz MYTZAEQIGIDUOE-UHFFFAOYSA-N -1 3 222.244 0.865 20 0 BCADHM O=C([N-]N1CN=NC1=O)[C@H](F)c1ccccc1 ZINC000769653505 585561272 /nfs/dbraw/zinc/56/12/72/585561272.db2.gz KHNPKHJFYJRPTC-MRVPVSSYSA-N -1 3 236.206 0.765 20 0 BCADHM CO[N-]C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000770551624 585576453 /nfs/dbraw/zinc/57/64/53/585576453.db2.gz DZHUWTZGIPVFFF-SECBINFHSA-N -1 3 200.238 0.113 20 0 BCADHM Cn1cnnc1COC(=O)c1ccc([O-])cc1 ZINC000771867442 585602943 /nfs/dbraw/zinc/60/29/43/585602943.db2.gz ZPDWDLWZBUEKSK-UHFFFAOYSA-N -1 3 233.227 0.878 20 0 BCADHM CN(C)C(=O)COC(=O)c1c([O-])cccc1F ZINC000772593434 585618623 /nfs/dbraw/zinc/61/86/23/585618623.db2.gz OQJHYTIMCZVTTP-UHFFFAOYSA-N -1 3 241.218 0.776 20 0 BCADHM C[C@H](OC(=O)c1c([O-])cccc1F)C(N)=O ZINC000772581241 585618707 /nfs/dbraw/zinc/61/87/07/585618707.db2.gz RONYCJDCNQMVCC-YFKPBYRVSA-N -1 3 227.191 0.562 20 0 BCADHM CCOCCO[N-]C(=O)/C=C\c1cnn(C)c1 ZINC000772690807 585620970 /nfs/dbraw/zinc/62/09/70/585620970.db2.gz BXEIRKHKDHJXPF-PLNGDYQASA-N -1 3 239.275 0.518 20 0 BCADHM CCOCCO[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000772701110 585621061 /nfs/dbraw/zinc/62/10/61/585621061.db2.gz SRTLCXZAOYWIJL-UHFFFAOYSA-N -1 3 240.259 0.083 20 0 BCADHM COCCC(=O)[N-]OC1CCOCC1 ZINC000772709206 585621400 /nfs/dbraw/zinc/62/14/00/585621400.db2.gz ZHUPVOZAHBLGJS-UHFFFAOYSA-N -1 3 203.238 0.250 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]OC1CCOCC1 ZINC000772724688 585622338 /nfs/dbraw/zinc/62/23/38/585622338.db2.gz FQNLOWFHVVGSLM-JTQLQIEISA-N -1 3 228.292 0.307 20 0 BCADHM CON(C)CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000773167704 585632968 /nfs/dbraw/zinc/63/29/68/585632968.db2.gz UCCFWMOLVLKHAF-UHFFFAOYSA-N -1 3 249.274 0.181 20 0 BCADHM CCO[C@@H]1C[C@@H]1C(=O)[N-]OC1CCN(C)CC1 ZINC000773547246 585640138 /nfs/dbraw/zinc/64/01/38/585640138.db2.gz QGTIARBCCVDROS-WDEREUQCSA-N -1 3 242.319 0.553 20 0 BCADHM CN1CCC(O[N-]C(=O)COCC2CC2)CC1 ZINC000773542035 585640184 /nfs/dbraw/zinc/64/01/84/585640184.db2.gz ONAJAQWKXFJKMP-UHFFFAOYSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@H](CC(N)=O)C(=O)[N-]O[C@H]1CCCCO1 ZINC000773893530 585645797 /nfs/dbraw/zinc/64/57/97/585645797.db2.gz INRMGUGNRGJSIA-APPZFPTMSA-N -1 3 230.264 0.072 20 0 BCADHM CN1CC[C@@H](C(=O)[N-]OC2CCCC2)CC1=O ZINC000774868618 585668191 /nfs/dbraw/zinc/66/81/91/585668191.db2.gz WOONJNUJLOEZFV-SECBINFHSA-N -1 3 240.303 0.845 20 0 BCADHM CCOCCO[N-]C(=O)CN1[C@H](C)CC[C@H]1C ZINC000775236861 585673858 /nfs/dbraw/zinc/67/38/58/585673858.db2.gz YXLBZBAGDPFMGI-GHMZBOCLSA-N -1 3 244.335 0.944 20 0 BCADHM CC(C)N(C)CC(=O)[N-]OC1CCOCC1 ZINC000775244827 585674197 /nfs/dbraw/zinc/67/41/97/585674197.db2.gz FOCZQVYCALOFBT-UHFFFAOYSA-N -1 3 230.308 0.553 20 0 BCADHM O=C(CC1(O)CCCC1)[N-]OC1CCOCC1 ZINC000775246126 585674199 /nfs/dbraw/zinc/67/41/99/585674199.db2.gz MHQGNJKGCAWTTO-UHFFFAOYSA-N -1 3 243.303 0.908 20 0 BCADHM Cc1nc(COC(=O)c2n[n-]nc2C)no1 ZINC000805545807 585678755 /nfs/dbraw/zinc/67/87/55/585678755.db2.gz FIZYJPIMXSRKSD-UHFFFAOYSA-N -1 3 223.192 0.162 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1ccn(C)c(=O)c1 ZINC000805546538 585679106 /nfs/dbraw/zinc/67/91/06/585679106.db2.gz IVPQWGQBEVCQDS-UHFFFAOYSA-N -1 3 248.242 0.169 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCOCC(C)C ZINC000805546619 585679371 /nfs/dbraw/zinc/67/93/71/585679371.db2.gz KDLKWPOHRSCGNY-UHFFFAOYSA-N -1 3 227.264 0.943 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@H]1CC[C@H](C)O1 ZINC000805547910 585681484 /nfs/dbraw/zinc/68/14/84/585681484.db2.gz LKSWJZWIWBYEOZ-POYBYMJQSA-N -1 3 225.248 0.837 20 0 BCADHM COc1cc(COC(=O)c2n[n-]nc2C)ccn1 ZINC000805548290 585681835 /nfs/dbraw/zinc/68/18/35/585681835.db2.gz UZMMJFYCSRZSBO-UHFFFAOYSA-N -1 3 248.242 0.874 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1nccc(C)n1 ZINC000805548575 585681942 /nfs/dbraw/zinc/68/19/42/585681942.db2.gz ZNGQKJOYPQAULZ-UHFFFAOYSA-N -1 3 233.231 0.569 20 0 BCADHM CCOCCON=C([O-])Nc1cccnn1 ZINC000775670793 585682714 /nfs/dbraw/zinc/68/27/14/585682714.db2.gz WFGGEJCWFOUDIW-UHFFFAOYSA-N -1 3 226.236 0.566 20 0 BCADHM CCOCCO[N-]C(=O)Nc1cccnn1 ZINC000775670793 585682715 /nfs/dbraw/zinc/68/27/15/585682715.db2.gz WFGGEJCWFOUDIW-UHFFFAOYSA-N -1 3 226.236 0.566 20 0 BCADHM [O-]C(=NOC1CCOCC1)Nc1ccon1 ZINC000775706037 585683585 /nfs/dbraw/zinc/68/35/85/585683585.db2.gz LJIAAMUCLXHYMO-UHFFFAOYSA-N -1 3 227.220 0.907 20 0 BCADHM O=C([N-]OC1CCOCC1)Nc1ccon1 ZINC000775706037 585683586 /nfs/dbraw/zinc/68/35/86/585683586.db2.gz LJIAAMUCLXHYMO-UHFFFAOYSA-N -1 3 227.220 0.907 20 0 BCADHM O=C(Cc1[nH]nc2ccccc21)[N-]OCCO ZINC000776579377 585701081 /nfs/dbraw/zinc/70/10/81/585701081.db2.gz KVFZQCPKVNHEPH-UHFFFAOYSA-N -1 3 235.243 0.146 20 0 BCADHM O=C(Cc1cc(F)ccc1F)[N-]OCCO ZINC000776583776 585701455 /nfs/dbraw/zinc/70/14/55/585701455.db2.gz LIPPMHAANCSAOC-UHFFFAOYSA-N -1 3 231.198 0.547 20 0 BCADHM O=C(Cc1c[nH]c2ccccc12)[N-]OCCO ZINC000776583744 585701500 /nfs/dbraw/zinc/70/15/00/585701500.db2.gz DNWHRFPQPSJCFW-UHFFFAOYSA-N -1 3 234.255 0.751 20 0 BCADHM O=C(CCOc1ccccc1F)[N-]OCCO ZINC000776584381 585701539 /nfs/dbraw/zinc/70/15/39/585701539.db2.gz KMPUAAJSLRXNBV-UHFFFAOYSA-N -1 3 243.234 0.635 20 0 BCADHM O=C(CCc1ccc(F)cc1)[N-]OCCO ZINC000776583990 585701639 /nfs/dbraw/zinc/70/16/39/585701639.db2.gz IGKMQUIUYOQDDO-UHFFFAOYSA-N -1 3 227.235 0.798 20 0 BCADHM O=C([N-]OCCO)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000776584428 585701707 /nfs/dbraw/zinc/70/17/07/585701707.db2.gz MMFLZGBWWUZTNV-GHMZBOCLSA-N -1 3 239.246 0.969 20 0 BCADHM O=C(OCc1cccnc1)c1cnn[n-]1 ZINC000805603986 585730216 /nfs/dbraw/zinc/73/02/16/585730216.db2.gz ZMKVVFHQHGWEOZ-UHFFFAOYSA-N -1 3 204.189 0.557 20 0 BCADHM O=C(OCc1cccnc1)c1c[n-]nn1 ZINC000805603986 585730217 /nfs/dbraw/zinc/73/02/17/585730217.db2.gz ZMKVVFHQHGWEOZ-UHFFFAOYSA-N -1 3 204.189 0.557 20 0 BCADHM CC(C)n1ccc(COC(=O)c2cnn[n-]2)n1 ZINC000805604835 585731563 /nfs/dbraw/zinc/73/15/63/585731563.db2.gz AKFNENVVCKGREN-UHFFFAOYSA-N -1 3 235.247 0.939 20 0 BCADHM CC(C)n1ccc(COC(=O)c2c[n-]nn2)n1 ZINC000805604835 585731564 /nfs/dbraw/zinc/73/15/64/585731564.db2.gz AKFNENVVCKGREN-UHFFFAOYSA-N -1 3 235.247 0.939 20 0 BCADHM O=C(COC(=O)c1cnn[n-]1)c1ccc[nH]1 ZINC000805605168 585731576 /nfs/dbraw/zinc/73/15/76/585731576.db2.gz GAPMCTYIWOVRKY-UHFFFAOYSA-N -1 3 220.188 0.173 20 0 BCADHM O=C(COC(=O)c1c[n-]nn1)c1ccc[nH]1 ZINC000805605168 585731577 /nfs/dbraw/zinc/73/15/77/585731577.db2.gz GAPMCTYIWOVRKY-UHFFFAOYSA-N -1 3 220.188 0.173 20 0 BCADHM C[C@@H](OC(=O)c1cnn[n-]1)c1nc(C2CC2)no1 ZINC000805604848 585731666 /nfs/dbraw/zinc/73/16/66/585731666.db2.gz AWLXLGJHXJYUKH-RXMQYKEDSA-N -1 3 249.230 0.983 20 0 BCADHM C[C@@H](OC(=O)c1c[n-]nn1)c1nc(C2CC2)no1 ZINC000805604848 585731667 /nfs/dbraw/zinc/73/16/67/585731667.db2.gz AWLXLGJHXJYUKH-RXMQYKEDSA-N -1 3 249.230 0.983 20 0 BCADHM CC(C)(C)OCCOC(=O)c1cnn[n-]1 ZINC000805605229 585732057 /nfs/dbraw/zinc/73/20/57/585732057.db2.gz WXVPTASVHNXLNI-UHFFFAOYSA-N -1 3 213.237 0.777 20 0 BCADHM CC(C)(C)OCCOC(=O)c1c[n-]nn1 ZINC000805605229 585732058 /nfs/dbraw/zinc/73/20/58/585732058.db2.gz WXVPTASVHNXLNI-UHFFFAOYSA-N -1 3 213.237 0.777 20 0 BCADHM CCN(CC)C(=O)[C@H](C)OC(=O)c1cnn[n-]1 ZINC000805605916 585732664 /nfs/dbraw/zinc/73/26/64/585732664.db2.gz CLPWSBNYEGZRKV-ZETCQYMHSA-N -1 3 240.263 0.218 20 0 BCADHM CCN(CC)C(=O)[C@H](C)OC(=O)c1c[n-]nn1 ZINC000805605916 585732665 /nfs/dbraw/zinc/73/26/65/585732665.db2.gz CLPWSBNYEGZRKV-ZETCQYMHSA-N -1 3 240.263 0.218 20 0 BCADHM Cc1nnc(COC(=O)c2cnn[n-]2)n1C1CC1 ZINC000805606299 585732868 /nfs/dbraw/zinc/73/28/68/585732868.db2.gz HHZJINFYFVRXML-UHFFFAOYSA-N -1 3 248.246 0.397 20 0 BCADHM Cc1nnc(COC(=O)c2c[n-]nn2)n1C1CC1 ZINC000805606299 585732869 /nfs/dbraw/zinc/73/28/69/585732869.db2.gz HHZJINFYFVRXML-UHFFFAOYSA-N -1 3 248.246 0.397 20 0 BCADHM CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cnn[n-]1 ZINC000805607066 585734470 /nfs/dbraw/zinc/73/44/70/585734470.db2.gz GEBMTTUVYZZJPW-NKWVEPMBSA-N -1 3 240.263 0.265 20 0 BCADHM CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1c[n-]nn1 ZINC000805607066 585734471 /nfs/dbraw/zinc/73/44/71/585734471.db2.gz GEBMTTUVYZZJPW-NKWVEPMBSA-N -1 3 240.263 0.265 20 0 BCADHM O=C(OCCO[C@H]1CCCCO1)c1cnn[n-]1 ZINC000805607571 585734905 /nfs/dbraw/zinc/73/49/05/585734905.db2.gz YDVJQRXCADLLSC-VIFPVBQESA-N -1 3 241.247 0.505 20 0 BCADHM O=C(OCCO[C@H]1CCCCO1)c1c[n-]nn1 ZINC000805607571 585734906 /nfs/dbraw/zinc/73/49/06/585734906.db2.gz YDVJQRXCADLLSC-VIFPVBQESA-N -1 3 241.247 0.505 20 0 BCADHM C[C@H](OC(=O)c1cnn[n-]1)C(=O)NC(C)(C)C ZINC000805609243 585735900 /nfs/dbraw/zinc/73/59/00/585735900.db2.gz PFPXPTBNPNNPMS-LURJTMIESA-N -1 3 240.263 0.265 20 0 BCADHM C[C@H](OC(=O)c1c[n-]nn1)C(=O)NC(C)(C)C ZINC000805609243 585735901 /nfs/dbraw/zinc/73/59/01/585735901.db2.gz PFPXPTBNPNNPMS-LURJTMIESA-N -1 3 240.263 0.265 20 0 BCADHM CCC1(C(=O)Nc2n[n-]c(OC)n2)COC1 ZINC000778955942 585742656 /nfs/dbraw/zinc/74/26/56/585742656.db2.gz PFPWHGUCWIOXKD-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM CCC1(C(=O)Nc2nnc(OC)[n-]2)COC1 ZINC000778955942 585742657 /nfs/dbraw/zinc/74/26/57/585742657.db2.gz PFPWHGUCWIOXKD-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM CCC1(C(=O)Nc2nc(OC)n[n-]2)COC1 ZINC000778955942 585742658 /nfs/dbraw/zinc/74/26/58/585742658.db2.gz PFPWHGUCWIOXKD-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM COc1nc(NC(=O)COC2(C)CCC2)n[n-]1 ZINC000778956572 585742874 /nfs/dbraw/zinc/74/28/74/585742874.db2.gz YGLHJTVKWIVKPJ-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nnc(NC(=O)COC2(C)CCC2)[n-]1 ZINC000778956572 585742875 /nfs/dbraw/zinc/74/28/75/585742875.db2.gz YGLHJTVKWIVKPJ-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM COc1n[n-]c(NC(=O)COC2(C)CCC2)n1 ZINC000778956572 585742876 /nfs/dbraw/zinc/74/28/76/585742876.db2.gz YGLHJTVKWIVKPJ-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM CO[C@H](C(=O)[N-]c1nnnn1C)c1ccccc1 ZINC000779465884 585755473 /nfs/dbraw/zinc/75/54/73/585755473.db2.gz AEDBEZXOFHPHLE-VIFPVBQESA-N -1 3 247.258 0.536 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CC=CCC1 ZINC000779466231 585755528 /nfs/dbraw/zinc/75/55/28/585755528.db2.gz DOPVHVRRIOTYED-SSDOTTSWSA-N -1 3 207.237 0.505 20 0 BCADHM Cc1ccc(C(=O)C(=O)[N-]c2nnnn2C)cc1 ZINC000779467030 585755546 /nfs/dbraw/zinc/75/55/46/585755546.db2.gz KKSVUTIIYBOQEG-UHFFFAOYSA-N -1 3 245.242 0.340 20 0 BCADHM CCN1CCCC[C@@H]1CNC(=O)NCC(=O)[O-] ZINC000780567185 585781455 /nfs/dbraw/zinc/78/14/55/585781455.db2.gz AYSQSWGKZLDDRH-SECBINFHSA-N -1 3 243.307 0.245 20 0 BCADHM CCN1CCCC[C@H]1CNC(=O)NCC(=O)[O-] ZINC000780567186 585781562 /nfs/dbraw/zinc/78/15/62/585781562.db2.gz AYSQSWGKZLDDRH-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM CCCCN(C)CCNC(=O)N[C@@H](C)C(=O)[O-] ZINC000780573916 585781707 /nfs/dbraw/zinc/78/17/07/585781707.db2.gz WYNRTJGMROFBCN-VIFPVBQESA-N -1 3 245.323 0.491 20 0 BCADHM COCCO[N-]C(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000780857701 585785424 /nfs/dbraw/zinc/78/54/24/585785424.db2.gz OKTYQDACRBVIJZ-VHSXEESVSA-N -1 3 243.303 0.932 20 0 BCADHM CCOCCO[N-]C(=O)Cc1cnn(CC)c1 ZINC000781031297 585788832 /nfs/dbraw/zinc/78/88/32/585788832.db2.gz GWSHFBUWVXONKQ-UHFFFAOYSA-N -1 3 241.291 0.530 20 0 BCADHM O=C([O-])CNC(=O)CN1CCC2(CCCC2)C1 ZINC000781154246 585791660 /nfs/dbraw/zinc/79/16/60/585791660.db2.gz KRQPOEUMHLEYBU-UHFFFAOYSA-N -1 3 240.303 0.453 20 0 BCADHM Cc1cncc(C(=O)[N-]N2CN=NC2=O)c1 ZINC000782123057 585808014 /nfs/dbraw/zinc/80/80/14/585808014.db2.gz AOQAWSHMLQHSSJ-UHFFFAOYSA-N -1 3 219.204 0.071 20 0 BCADHM CO[C@H](C)COC(=O)c1cncc([O-])c1 ZINC000782334146 585815293 /nfs/dbraw/zinc/81/52/93/585815293.db2.gz FITZVEJHIXLRTP-SSDOTTSWSA-N -1 3 211.217 0.979 20 0 BCADHM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000782469195 585818766 /nfs/dbraw/zinc/81/87/66/585818766.db2.gz YNUHSPIHFCJVEB-SECBINFHSA-N -1 3 247.316 0.965 20 0 BCADHM COc1nc(NC(=O)[C@@H](F)C(C)C)n[n-]1 ZINC000784461089 585860802 /nfs/dbraw/zinc/86/08/02/585860802.db2.gz OZXDCKJCRQDSRB-YFKPBYRVSA-N -1 3 216.216 0.746 20 0 BCADHM COc1nnc(NC(=O)[C@@H](F)C(C)C)[n-]1 ZINC000784461089 585860803 /nfs/dbraw/zinc/86/08/03/585860803.db2.gz OZXDCKJCRQDSRB-YFKPBYRVSA-N -1 3 216.216 0.746 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](F)C(C)C)n1 ZINC000784461089 585860804 /nfs/dbraw/zinc/86/08/04/585860804.db2.gz OZXDCKJCRQDSRB-YFKPBYRVSA-N -1 3 216.216 0.746 20 0 BCADHM O=C(OCCC1(O)CC1)c1cncc([O-])c1 ZINC000785673343 585877733 /nfs/dbraw/zinc/87/77/33/585877733.db2.gz JNDUHKCUFGHDIZ-UHFFFAOYSA-N -1 3 223.228 0.859 20 0 BCADHM CO[N-]C(=O)Cc1ccccc1S(C)(=O)=O ZINC000785792907 585881374 /nfs/dbraw/zinc/88/13/74/585881374.db2.gz WSTSPJGTDFZNDG-UHFFFAOYSA-N -1 3 243.284 0.310 20 0 BCADHM NC(=O)COC(=O)c1cc([O-])ccc1Cl ZINC000785871013 585882075 /nfs/dbraw/zinc/88/20/75/585882075.db2.gz XEYYNOTYVMZZKR-UHFFFAOYSA-N -1 3 229.619 0.688 20 0 BCADHM CCc1cc([N-]C(=O)c2cnn(C)n2)no1 ZINC000786211695 585888750 /nfs/dbraw/zinc/88/87/50/585888750.db2.gz IKLKTJCVBDEYGF-UHFFFAOYSA-N -1 3 221.220 0.618 20 0 BCADHM C[C@H](O)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000786813023 585897571 /nfs/dbraw/zinc/89/75/71/585897571.db2.gz JHQRPMWLJJJQPX-LURJTMIESA-N -1 3 233.231 0.186 20 0 BCADHM C[C@H](O)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000786813023 585897572 /nfs/dbraw/zinc/89/75/72/585897572.db2.gz JHQRPMWLJJJQPX-LURJTMIESA-N -1 3 233.231 0.186 20 0 BCADHM C[C@H](O)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000786813023 585897573 /nfs/dbraw/zinc/89/75/73/585897573.db2.gz JHQRPMWLJJJQPX-LURJTMIESA-N -1 3 233.231 0.186 20 0 BCADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)[N-]OCCO ZINC000787291563 585905154 /nfs/dbraw/zinc/90/51/54/585905154.db2.gz BOTCRRVSYGKXHL-SSDOTTSWSA-N -1 3 241.291 0.560 20 0 BCADHM O=C(CCc1nccs1)[N-]OCCO ZINC000787290196 585905315 /nfs/dbraw/zinc/90/53/15/585905315.db2.gz CYVDYLZSPIZHDS-UHFFFAOYSA-N -1 3 216.262 0.116 20 0 BCADHM CC(C)COC(=O)[C@H](C)[N-]C(=O)C(F)F ZINC000787480728 585910162 /nfs/dbraw/zinc/91/01/62/585910162.db2.gz NTFNZINYNYFRBD-LURJTMIESA-N -1 3 223.219 0.955 20 0 BCADHM O=C([N-]Cc1noc(C2CC2)n1)C(F)F ZINC000787481792 585910202 /nfs/dbraw/zinc/91/02/02/585910202.db2.gz CJUCQQUWSUPREV-UHFFFAOYSA-N -1 3 217.175 0.828 20 0 BCADHM Cc1nnc(C[N-]C(=O)C(F)F)n1C1CC1 ZINC000787499032 585910736 /nfs/dbraw/zinc/91/07/36/585910736.db2.gz BWBPUODXSOLQOQ-UHFFFAOYSA-N -1 3 230.218 0.803 20 0 BCADHM CCCn1ccc(CNC(=O)c2c[n-]nn2)c1 ZINC000788169890 585918589 /nfs/dbraw/zinc/91/85/89/585918589.db2.gz CLBOXORURRESNE-UHFFFAOYSA-N -1 3 233.275 0.946 20 0 BCADHM CCCn1ccc(CNC(=O)c2cnn[n-]2)c1 ZINC000788169890 585918590 /nfs/dbraw/zinc/91/85/90/585918590.db2.gz CLBOXORURRESNE-UHFFFAOYSA-N -1 3 233.275 0.946 20 0 BCADHM CCCn1ccc(CNC(=O)c2cn[n-]n2)c1 ZINC000788169890 585918591 /nfs/dbraw/zinc/91/85/91/585918591.db2.gz CLBOXORURRESNE-UHFFFAOYSA-N -1 3 233.275 0.946 20 0 BCADHM CCO[N-]C(=O)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000788264583 585920295 /nfs/dbraw/zinc/92/02/95/585920295.db2.gz FOGALGAVUDLOFP-RQJHMYQMSA-N -1 3 223.294 0.123 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)C1=COCC1 ZINC000788275356 585920445 /nfs/dbraw/zinc/92/04/45/585920445.db2.gz VAPHNBDAMGJDFA-MRVPVSSYSA-N -1 3 213.233 0.375 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000788568906 585926979 /nfs/dbraw/zinc/92/69/79/585926979.db2.gz DTDVUJSJKFZWJX-VHSXEESVSA-N -1 3 231.292 0.622 20 0 BCADHM O=C(Cc1ccncc1)[N-]OC[C@@H]1CCOC1 ZINC000788569322 585927111 /nfs/dbraw/zinc/92/71/11/585927111.db2.gz GCIVPODTYHBGSN-LLVKDONJSA-N -1 3 236.271 0.708 20 0 BCADHM O=C(NOCCO)c1c[n-]nc1-c1ccoc1 ZINC000790037394 585956591 /nfs/dbraw/zinc/95/65/91/585956591.db2.gz SMOZNGDDTQENOI-UHFFFAOYSA-N -1 3 237.215 0.323 20 0 BCADHM O=C(NOCCO)c1cn[n-]c1-c1ccoc1 ZINC000790037394 585956592 /nfs/dbraw/zinc/95/65/92/585956592.db2.gz SMOZNGDDTQENOI-UHFFFAOYSA-N -1 3 237.215 0.323 20 0 BCADHM CCOC(=O)COC(=O)c1cccc2nn[n-]c21 ZINC000790074054 585957608 /nfs/dbraw/zinc/95/76/08/585957608.db2.gz DNBNHNNDFTWHFG-UHFFFAOYSA-N -1 3 249.226 0.678 20 0 BCADHM CCOC(=O)COC(=O)c1cccc2[n-]nnc21 ZINC000790074054 585957609 /nfs/dbraw/zinc/95/76/09/585957609.db2.gz DNBNHNNDFTWHFG-UHFFFAOYSA-N -1 3 249.226 0.678 20 0 BCADHM CCOC(=O)COC(=O)c1cccc2n[n-]nc21 ZINC000790074054 585957610 /nfs/dbraw/zinc/95/76/10/585957610.db2.gz DNBNHNNDFTWHFG-UHFFFAOYSA-N -1 3 249.226 0.678 20 0 BCADHM CO[N-]C(=O)CCOCC(F)(F)C(F)F ZINC000790263876 585962064 /nfs/dbraw/zinc/96/20/64/585962064.db2.gz QOABDOZWSZNSTK-UHFFFAOYSA-N -1 3 233.161 0.971 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](CO)C2CC2)n1 ZINC000790338234 585963803 /nfs/dbraw/zinc/96/38/03/585963803.db2.gz LEMDRWVALRCVLG-PSASIEDQSA-N -1 3 237.303 0.912 20 0 BCADHM Cn1ncc(C(=O)[N-]c2ncn(C(C)(C)C)n2)n1 ZINC000790944587 585970701 /nfs/dbraw/zinc/97/07/01/585970701.db2.gz FTCLVXVRPTVZOR-UHFFFAOYSA-N -1 3 249.278 0.414 20 0 BCADHM Cc1noc(CCC(=O)[N-]OCC(C)(C)O)n1 ZINC000791262406 585975768 /nfs/dbraw/zinc/97/57/68/585975768.db2.gz BHNUMTFUJJKUDC-UHFFFAOYSA-N -1 3 243.263 0.129 20 0 BCADHM Cc1nc[nH]c1CC(=O)[N-]OCc1cccnc1 ZINC000791393606 585980262 /nfs/dbraw/zinc/98/02/62/585980262.db2.gz WMYAWAJFQHDVJH-UHFFFAOYSA-N -1 3 246.270 0.904 20 0 BCADHM Cc1[nH]cnc1CC(=O)[N-]OCc1cccnc1 ZINC000791393606 585980263 /nfs/dbraw/zinc/98/02/63/585980263.db2.gz WMYAWAJFQHDVJH-UHFFFAOYSA-N -1 3 246.270 0.904 20 0 BCADHM C[C@H](O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000791856161 585989488 /nfs/dbraw/zinc/98/94/88/585989488.db2.gz JVFZATYPVXVRPL-LURJTMIESA-N -1 3 249.222 0.108 20 0 BCADHM CCc1csc(NC(=O)[N-]OCCO)n1 ZINC000792317173 585999590 /nfs/dbraw/zinc/99/95/90/585999590.db2.gz KZDPGRLBDRDEDI-UHFFFAOYSA-N -1 3 231.277 0.751 20 0 BCADHM CCc1cc(NC([O-])=NOCCO)n(C)n1 ZINC000792309153 585999570 /nfs/dbraw/zinc/99/95/70/585999570.db2.gz UPCHDBWYHURQKH-UHFFFAOYSA-N -1 3 228.252 0.028 20 0 BCADHM CCc1cc(NC(=O)[N-]OCCO)n(C)n1 ZINC000792309153 585999571 /nfs/dbraw/zinc/99/95/71/585999571.db2.gz UPCHDBWYHURQKH-UHFFFAOYSA-N -1 3 228.252 0.028 20 0 BCADHM CCc1csc(NC([O-])=NOCCO)n1 ZINC000792317173 585999589 /nfs/dbraw/zinc/99/95/89/585999589.db2.gz KZDPGRLBDRDEDI-UHFFFAOYSA-N -1 3 231.277 0.751 20 0 BCADHM COc1ccc(NC([O-])=NOCCO)nc1 ZINC000792360106 585999919 /nfs/dbraw/zinc/99/99/19/585999919.db2.gz QMOVICKOZIIFOA-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM COc1ccc(NC(=O)[N-]OCCO)nc1 ZINC000792360106 585999920 /nfs/dbraw/zinc/99/99/20/585999920.db2.gz QMOVICKOZIIFOA-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM COCCO[N-]C(=O)C1=CCOCC1 ZINC000793621041 586024332 /nfs/dbraw/zinc/02/43/32/586024332.db2.gz XYQFTEINJANQJC-UHFFFAOYSA-N -1 3 201.222 0.027 20 0 BCADHM O=C([N-]OCC(F)(F)F)C1=CCOCC1 ZINC000793680150 586024951 /nfs/dbraw/zinc/02/49/51/586024951.db2.gz LDEZPUAZFFXNJN-UHFFFAOYSA-N -1 3 225.166 0.943 20 0 BCADHM Cn1cncc1CCC(=O)[N-]OCC(F)F ZINC000793813448 586026893 /nfs/dbraw/zinc/02/68/93/586026893.db2.gz GRVLLBVRZIOACM-UHFFFAOYSA-N -1 3 233.218 0.666 20 0 BCADHM CCOCCO[N-]C(=O)CCc1cnccn1 ZINC000793845005 586027852 /nfs/dbraw/zinc/02/78/52/586027852.db2.gz SZPMOHUUIXCVAQ-UHFFFAOYSA-N -1 3 239.275 0.494 20 0 BCADHM CC[C@@H](C)CC[C@@H](O)CC(=O)[N-]OCCO ZINC000793857506 586027928 /nfs/dbraw/zinc/02/79/28/586027928.db2.gz VJRBZTJLZZIWCE-NXEZZACHSA-N -1 3 233.308 0.604 20 0 BCADHM CSCCO[N-]C(=O)C[C@H]1CCOC1 ZINC000794183502 586034544 /nfs/dbraw/zinc/03/45/44/586034544.db2.gz LKLDJKZSMIBSBM-MRVPVSSYSA-N -1 3 219.306 0.824 20 0 BCADHM CCn1ncnc1C[N-]C(=O)C(F)F ZINC000794234962 586035888 /nfs/dbraw/zinc/03/58/88/586035888.db2.gz KGOIKMJODRPZJY-UHFFFAOYSA-N -1 3 204.180 0.179 20 0 BCADHM [O-]C(=NOCCO)Nc1cc(Cl)ccn1 ZINC000794354662 586038496 /nfs/dbraw/zinc/03/84/96/586038496.db2.gz XJJLMWOKCKHNLA-UHFFFAOYSA-N -1 3 231.639 0.780 20 0 BCADHM O=C([N-]OCCO)Nc1cc(Cl)ccn1 ZINC000794354662 586038497 /nfs/dbraw/zinc/03/84/97/586038497.db2.gz XJJLMWOKCKHNLA-UHFFFAOYSA-N -1 3 231.639 0.780 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000794840948 586050530 /nfs/dbraw/zinc/05/05/30/586050530.db2.gz BGDFQSOXVDFMKU-NXEZZACHSA-N -1 3 242.319 0.949 20 0 BCADHM COCC(=O)COC(=O)c1c([O-])cccc1F ZINC000795595374 586087648 /nfs/dbraw/zinc/08/76/48/586087648.db2.gz QFXJQBQDVJZNIY-UHFFFAOYSA-N -1 3 242.202 0.904 20 0 BCADHM O=S(=O)([N-]CCF)c1cnn(CC2CC2)c1 ZINC000797843419 586132960 /nfs/dbraw/zinc/13/29/60/586132960.db2.gz CVNNBNOWBIUTTE-UHFFFAOYSA-N -1 3 247.295 0.541 20 0 BCADHM O=C(C[C@H]1CCC(F)(F)C1)[N-]OCCO ZINC000797992211 586135231 /nfs/dbraw/zinc/13/52/31/586135231.db2.gz PLHOVNATHMKORP-SSDOTTSWSA-N -1 3 223.219 0.852 20 0 BCADHM CCOC(=O)[C@H](CCOC)[N-]C(=O)C(F)F ZINC000799071640 586155443 /nfs/dbraw/zinc/15/54/43/586155443.db2.gz OHAGWVIRKMTEBK-LURJTMIESA-N -1 3 239.218 0.336 20 0 BCADHM Cc1cc(C(=O)OCc2nnn(C)n2)ccc1[O-] ZINC000799504754 586182567 /nfs/dbraw/zinc/18/25/67/586182567.db2.gz UDMSHJSSVUXXMQ-UHFFFAOYSA-N -1 3 248.242 0.581 20 0 BCADHM O=C(OCCCO)c1cc(F)cc2[n-]nnc21 ZINC000800262586 586206993 /nfs/dbraw/zinc/20/69/93/586206993.db2.gz LRWRSZWRSCPHPW-UHFFFAOYSA-N -1 3 239.206 0.636 20 0 BCADHM O=C(OCCCO)c1cc(F)cc2nn[n-]c21 ZINC000800262586 586206995 /nfs/dbraw/zinc/20/69/95/586206995.db2.gz LRWRSZWRSCPHPW-UHFFFAOYSA-N -1 3 239.206 0.636 20 0 BCADHM O=C(OCCCO)c1cc(F)cc2n[n-]nc21 ZINC000800262586 586206996 /nfs/dbraw/zinc/20/69/96/586206996.db2.gz LRWRSZWRSCPHPW-UHFFFAOYSA-N -1 3 239.206 0.636 20 0 BCADHM COCCOC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800261413 586207294 /nfs/dbraw/zinc/20/72/94/586207294.db2.gz SIHCNKAQXOAMAQ-UHFFFAOYSA-N -1 3 239.206 0.900 20 0 BCADHM COCCOC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800261413 586207296 /nfs/dbraw/zinc/20/72/96/586207296.db2.gz SIHCNKAQXOAMAQ-UHFFFAOYSA-N -1 3 239.206 0.900 20 0 BCADHM COCCOC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800261413 586207298 /nfs/dbraw/zinc/20/72/98/586207298.db2.gz SIHCNKAQXOAMAQ-UHFFFAOYSA-N -1 3 239.206 0.900 20 0 BCADHM Cc1c[nH]c(NC(=O)c2n[n-]nc2C)n1 ZINC000800693381 586227072 /nfs/dbraw/zinc/22/70/72/586227072.db2.gz OHNALDOFHSMEQZ-UHFFFAOYSA-N -1 3 206.209 0.397 20 0 BCADHM CCn1ncnc1COC(=O)c1cncc([O-])c1 ZINC000801262220 586251005 /nfs/dbraw/zinc/25/10/05/586251005.db2.gz ODKJTPKALYZNDH-UHFFFAOYSA-N -1 3 248.242 0.756 20 0 BCADHM CON(CC1CCOCC1)C(=O)c1cn[n-]n1 ZINC000801592495 586265151 /nfs/dbraw/zinc/26/51/51/586265151.db2.gz NIRBPMZYFJPEAG-UHFFFAOYSA-N -1 3 240.263 0.235 20 0 BCADHM COCCON=C([O-])Nc1nnc(OC)s1 ZINC000801747702 586270620 /nfs/dbraw/zinc/27/06/20/586270620.db2.gz XFHYZUYGTQJGRF-UHFFFAOYSA-N -1 3 248.264 0.246 20 0 BCADHM COCCO[N-]C(=O)Nc1nnc(OC)s1 ZINC000801747702 586270622 /nfs/dbraw/zinc/27/06/22/586270622.db2.gz XFHYZUYGTQJGRF-UHFFFAOYSA-N -1 3 248.264 0.246 20 0 BCADHM CC[C@H](C)CCC(=O)[N-]OCC(N)=O ZINC000803006053 586331134 /nfs/dbraw/zinc/33/11/34/586331134.db2.gz SRWRCGPGWRBEFV-ZETCQYMHSA-N -1 3 202.254 0.346 20 0 BCADHM O=C([N-]OCCO)[C@@H]1C[C@H]1c1ccccc1 ZINC000803120617 586335204 /nfs/dbraw/zinc/33/52/04/586335204.db2.gz QDVRMVBUOTVSNO-WDEREUQCSA-N -1 3 221.256 0.830 20 0 BCADHM CC(C)(C)[C@@H](O)C(=O)[N-]c1nncn1C1CC1 ZINC000803515815 586363723 /nfs/dbraw/zinc/36/37/23/586363723.db2.gz WHMYDUOFZFSYDY-QMMMGPOBSA-N -1 3 238.291 0.959 20 0 BCADHM O=C([N-]c1nncn1C1CC1)c1ncccn1 ZINC000803520076 586364047 /nfs/dbraw/zinc/36/40/47/586364047.db2.gz MWXJGTDCCFEXFC-UHFFFAOYSA-N -1 3 230.231 0.655 20 0 BCADHM COCCON=C([O-])Nc1ncc(OC)s1 ZINC000806513830 586413233 /nfs/dbraw/zinc/41/32/33/586413233.db2.gz PMWNCTPEYJISKL-UHFFFAOYSA-N -1 3 247.276 0.851 20 0 BCADHM COCCO[N-]C(=O)Nc1ncc(OC)s1 ZINC000806513830 586413236 /nfs/dbraw/zinc/41/32/36/586413236.db2.gz PMWNCTPEYJISKL-UHFFFAOYSA-N -1 3 247.276 0.851 20 0 BCADHM [O-]C(=NOCCO)Nc1cc2ccccn2n1 ZINC000806649518 586415688 /nfs/dbraw/zinc/41/56/88/586415688.db2.gz ILBAGIXRLUMDDN-UHFFFAOYSA-N -1 3 236.231 0.380 20 0 BCADHM O=C([N-]OCCO)Nc1cc2ccccn2n1 ZINC000806649518 586415690 /nfs/dbraw/zinc/41/56/90/586415690.db2.gz ILBAGIXRLUMDDN-UHFFFAOYSA-N -1 3 236.231 0.380 20 0 BCADHM CC(=O)CCC(=O)[N-]OC1CCN(C)CC1 ZINC000808024285 586459685 /nfs/dbraw/zinc/45/96/85/586459685.db2.gz GUTYWBNODHRVCW-UHFFFAOYSA-N -1 3 228.292 0.498 20 0 BCADHM O=C(O[C@H]1CNOC1)c1cc(-c2ccco2)n[n-]1 ZINC000808090925 586463518 /nfs/dbraw/zinc/46/35/18/586463518.db2.gz ZSQZDGACGPVSPE-ZETCQYMHSA-N -1 3 249.226 0.730 20 0 BCADHM O=C(O[C@H]1CNOC1)c1cc(-c2ccco2)[n-]n1 ZINC000808090925 586463519 /nfs/dbraw/zinc/46/35/19/586463519.db2.gz ZSQZDGACGPVSPE-ZETCQYMHSA-N -1 3 249.226 0.730 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1cc(C(N)=O)no1 ZINC000808464142 586473920 /nfs/dbraw/zinc/47/39/20/586473920.db2.gz DGQDSIFRDIELBH-UHFFFAOYSA-N -1 3 233.174 0.045 20 0 BCADHM CNC(=O)C1([N-]C(=O)C(C)(F)F)CCCC1 ZINC000808465977 586474817 /nfs/dbraw/zinc/47/48/17/586474817.db2.gz OAONYEXYIXETSQ-UHFFFAOYSA-N -1 3 234.246 0.817 20 0 BCADHM Cn1ncc(C[N-]C(=O)C(C)(F)F)n1 ZINC000808471815 586475388 /nfs/dbraw/zinc/47/53/88/586475388.db2.gz ZVGAULUZCZOQOQ-UHFFFAOYSA-N -1 3 204.180 0.087 20 0 BCADHM C[C@@H]1CCNC(=O)[C@@H]1[N-]C(=O)C(C)(F)F ZINC000808469981 586475652 /nfs/dbraw/zinc/47/56/52/586475652.db2.gz RIBHCMAKYRUUNG-PHDIDXHHSA-N -1 3 220.219 0.282 20 0 BCADHM CCCCCS(=O)(=O)[N-][C@]1(C)CCOC1=O ZINC000810102464 586534413 /nfs/dbraw/zinc/53/44/13/586534413.db2.gz HYWPKJMMUGPAGX-SNVBAGLBSA-N -1 3 249.332 0.802 20 0 BCADHM [O-]C(=NOCCO)Nc1ccn2ccnc2c1 ZINC000810228374 586537490 /nfs/dbraw/zinc/53/74/90/586537490.db2.gz SSCQOMNZCQISNH-UHFFFAOYSA-N -1 3 236.231 0.380 20 0 BCADHM O=C([N-]OCCO)Nc1ccn2ccnc2c1 ZINC000810228374 586537492 /nfs/dbraw/zinc/53/74/92/586537492.db2.gz SSCQOMNZCQISNH-UHFFFAOYSA-N -1 3 236.231 0.380 20 0 BCADHM COCCO[N-]C(=O)[C@H]1CCCSC1 ZINC000810478917 586539589 /nfs/dbraw/zinc/53/95/89/586539589.db2.gz DUDVAYPCKFUVPV-QMMMGPOBSA-N -1 3 219.306 0.824 20 0 BCADHM O=C([N-]N1CN=NC1=O)C1(F)CCCCC1 ZINC000810862494 586548806 /nfs/dbraw/zinc/54/88/06/586548806.db2.gz DLPIQDUVGRYZRU-UHFFFAOYSA-N -1 3 228.227 0.726 20 0 BCADHM COC(=O)CCCO[N-]C(=O)Cc1ccoc1 ZINC000811560376 586561223 /nfs/dbraw/zinc/56/12/23/586561223.db2.gz NZRSSEKOIAYUKS-UHFFFAOYSA-N -1 3 241.243 0.823 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C(C)C ZINC000811559560 586561344 /nfs/dbraw/zinc/56/13/44/586561344.db2.gz FLPNIASKHNPIQT-UHFFFAOYSA-N -1 3 203.238 0.643 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CC(C)(C)OC ZINC000811561976 586561470 /nfs/dbraw/zinc/56/14/70/586561470.db2.gz DPVNHORJLSKXTM-UHFFFAOYSA-N -1 3 247.291 0.803 20 0 BCADHM NC(=O)NCCCCC(=O)[N-]OC/C=C/Cl ZINC000812405526 586576199 /nfs/dbraw/zinc/57/61/99/586576199.db2.gz AXSIPCCOSRCLHG-HWKANZROSA-N -1 3 249.698 0.625 20 0 BCADHM O=C([N-]OC/C=C\Cl)[C@H]1CCC(=O)NC1 ZINC000812408361 586576431 /nfs/dbraw/zinc/57/64/31/586576431.db2.gz PUARZFLTLUQERZ-VUQFQFMISA-N -1 3 232.667 0.313 20 0 BCADHM O=C([N-]OC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000812791340 586585272 /nfs/dbraw/zinc/58/52/72/586585272.db2.gz SIZJZGQISVNLNR-SSDOTTSWSA-N -1 3 233.289 0.021 20 0 BCADHM NC(=O)CCCCC(=O)[N-]OC1CCC1 ZINC000812792193 586585504 /nfs/dbraw/zinc/58/55/04/586585504.db2.gz OWVRESVXVFSBGY-UHFFFAOYSA-N -1 3 214.265 0.632 20 0 BCADHM O=C(Cc1cncnc1)[N-]OC1CCC1 ZINC000812794217 586585900 /nfs/dbraw/zinc/58/59/00/586585900.db2.gz VGFOYECGHHATQV-UHFFFAOYSA-N -1 3 207.233 0.619 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]OCCOC(C)C ZINC000812806446 586586937 /nfs/dbraw/zinc/58/69/37/586586937.db2.gz CMQDYGSNQGDXKC-VIFPVBQESA-N -1 3 247.291 0.658 20 0 BCADHM CC(C)(C)C[C@H](O)CC(=O)[N-]OCCO ZINC000813525561 586602952 /nfs/dbraw/zinc/60/29/52/586602952.db2.gz WAQULLWUPHDAJY-MRVPVSSYSA-N -1 3 219.281 0.214 20 0 BCADHM COC(=O)c1cc(C(=O)O[C@H](C)C(C)=O)c[n-]1 ZINC000814530480 586623954 /nfs/dbraw/zinc/62/39/54/586623954.db2.gz VASUBKKYICXPNJ-SSDOTTSWSA-N -1 3 239.227 0.936 20 0 BCADHM COc1cnc(C(=O)[N-]c2ccon2)nc1 ZINC000815917482 586697232 /nfs/dbraw/zinc/69/72/32/586697232.db2.gz JXNVBEGERKCQDV-UHFFFAOYSA-N -1 3 220.188 0.726 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CCNC(=O)CC1 ZINC000816052596 586705741 /nfs/dbraw/zinc/70/57/41/586705741.db2.gz CNFDRPPIJOBZQX-MRVPVSSYSA-N -1 3 249.270 0.642 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Cc1ccoc1 ZINC000816382673 586721746 /nfs/dbraw/zinc/72/17/46/586721746.db2.gz VMHPBUDMYROEMO-UHFFFAOYSA-N -1 3 213.233 0.641 20 0 BCADHM CC=C(CC)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000816654875 586753572 /nfs/dbraw/zinc/75/35/72/586753572.db2.gz FERIGGIYVUUNGN-UTCJRWHESA-N -1 3 220.236 0.747 20 0 BCADHM COCC[C@H]([N-]C(=O)C(C)(F)F)C(=O)OC ZINC000816779277 586763698 /nfs/dbraw/zinc/76/36/98/586763698.db2.gz AUGXOKVIBHQYLR-LURJTMIESA-N -1 3 239.218 0.336 20 0 BCADHM O=C(C[C@@H]1CCC(=O)N1)Nc1ccccc1[O-] ZINC000816831574 586767015 /nfs/dbraw/zinc/76/70/15/586767015.db2.gz YGOVHINQRCNZEE-QMMMGPOBSA-N -1 3 234.255 0.999 20 0 BCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000816845666 586768472 /nfs/dbraw/zinc/76/84/72/586768472.db2.gz YNTUKFANRCVOIY-GHMZBOCLSA-N -1 3 248.282 0.746 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)CCCC(=O)NC ZINC000816979881 586775262 /nfs/dbraw/zinc/77/52/62/586775262.db2.gz ZDBNUJXMIHDSEN-SECBINFHSA-N -1 3 230.308 0.997 20 0 BCADHM CC(C)(O)CCC(=O)[N-]OCC1CC1 ZINC000817344921 586797569 /nfs/dbraw/zinc/79/75/69/586797569.db2.gz ZNPYXVAGNHKYBI-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM Cn1cc(C(=O)[N-]OCC2CC2)ccc1=O ZINC000817363010 586799097 /nfs/dbraw/zinc/79/90/97/586799097.db2.gz VAGJXSXFHVOWBG-UHFFFAOYSA-N -1 3 222.244 0.457 20 0 BCADHM C[C@]1(CCC(=O)[N-]OCC2CC2)CCC(=O)N1 ZINC000817358679 586799127 /nfs/dbraw/zinc/79/91/27/586799127.db2.gz YDCNJNVLOIDSHZ-GFCCVEGCSA-N -1 3 240.303 0.893 20 0 BCADHM CN1CC[C@H](C(=O)[N-]OCCC2CC2)CC1=O ZINC000817413403 586801764 /nfs/dbraw/zinc/80/17/64/586801764.db2.gz SJKLBDVYHOYAKD-JTQLQIEISA-N -1 3 240.303 0.703 20 0 BCADHM CC(C)(O)CC(=O)[N-]OCCC1CC1 ZINC000817429914 586804451 /nfs/dbraw/zinc/80/44/51/586804451.db2.gz MLBAHQCUEORJQF-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM C[C@H](CS(C)(=O)=O)C(=O)[N-]OCCC1CC1 ZINC000817425914 586804456 /nfs/dbraw/zinc/80/44/56/586804456.db2.gz OYGJBSPGLJZBMK-MRVPVSSYSA-N -1 3 249.332 0.515 20 0 BCADHM C[C@@H](CS(C)(=O)=O)C(=O)[N-]OCCC1CC1 ZINC000817425915 586804720 /nfs/dbraw/zinc/80/47/20/586804720.db2.gz OYGJBSPGLJZBMK-QMMMGPOBSA-N -1 3 249.332 0.515 20 0 BCADHM CC(C)N(C)C(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000817728018 586821642 /nfs/dbraw/zinc/82/16/42/586821642.db2.gz VFGZOAMLCVXWSZ-VIFPVBQESA-N -1 3 230.308 0.648 20 0 BCADHM CC(C)N(C)C(=O)[C@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000817727987 586821663 /nfs/dbraw/zinc/82/16/63/586821663.db2.gz QQAWMJNNBJCUOD-UWVGGRQHSA-N -1 3 242.319 0.648 20 0 BCADHM C[C@H](C(=O)[O-])N(C)Cc1cnc2ccnn2c1 ZINC000817779370 586827802 /nfs/dbraw/zinc/82/78/02/586827802.db2.gz LNIUSOISQZHZNX-MRVPVSSYSA-N -1 3 234.259 0.634 20 0 BCADHM CCC[C@@H](O)CNC(=O)c1ccc(N)cc1[O-] ZINC000817934815 586843286 /nfs/dbraw/zinc/84/32/86/586843286.db2.gz DARLIONCZAHLHN-SECBINFHSA-N -1 3 238.287 0.865 20 0 BCADHM N[C@H](C(=O)[N-]O[C@@H]1CCCCO1)C1CCC1 ZINC000817963403 586853888 /nfs/dbraw/zinc/85/38/88/586853888.db2.gz RYOINJYIWZRGTQ-ZJUUUORDSA-N -1 3 228.292 0.688 20 0 BCADHM N[C@@H](C(=O)[N-]O[C@H]1CCCCO1)C1CCC1 ZINC000817963401 586854286 /nfs/dbraw/zinc/85/42/86/586854286.db2.gz RYOINJYIWZRGTQ-VHSXEESVSA-N -1 3 228.292 0.688 20 0 BCADHM C[C@H](NC(=O)C1(N(C)C)CCC1)C(=O)[O-] ZINC000818025712 586865471 /nfs/dbraw/zinc/86/54/71/586865471.db2.gz VSXVGMORODYBSV-ZETCQYMHSA-N -1 3 214.265 0.060 20 0 BCADHM C[C@@H](N[C@@H]1CCCn2ncnc21)C(=O)[O-] ZINC000818046309 586866475 /nfs/dbraw/zinc/86/64/75/586866475.db2.gz RLOXKIFOJCCZIA-RNFRBKRXSA-N -1 3 210.237 0.176 20 0 BCADHM CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(=O)[O-] ZINC000818132188 586875982 /nfs/dbraw/zinc/87/59/82/586875982.db2.gz JWGGRZFJLGVGIF-HTQZYQBOSA-N -1 3 216.281 0.306 20 0 BCADHM CC[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N(C)C ZINC000818132315 586876252 /nfs/dbraw/zinc/87/62/52/586876252.db2.gz QSJBMYXHHDESBJ-BDAKNGLRSA-N -1 3 228.292 0.260 20 0 BCADHM CCN1C[C@H](C)[C@H](NC(=O)NCCC(=O)[O-])C1 ZINC000818207537 586879884 /nfs/dbraw/zinc/87/98/84/586879884.db2.gz JMVOZHVZEPICOQ-DTWKUNHWSA-N -1 3 243.307 0.101 20 0 BCADHM CN(C)C1(C(=O)N(C)CC(=O)[O-])CCC1 ZINC000818394684 586890452 /nfs/dbraw/zinc/89/04/52/586890452.db2.gz MMIRLYLHUQTHPM-UHFFFAOYSA-N -1 3 214.265 0.014 20 0 BCADHM COC(=O)/C(C)=C/CN1CC[C@H](C(=O)[O-])C1 ZINC000818500313 586895094 /nfs/dbraw/zinc/89/50/94/586895094.db2.gz AJXLZMXXJPHMCD-IPQKIJNHSA-N -1 3 227.260 0.512 20 0 BCADHM COc1nc(NC(=O)C=C[C@H]2CCCO2)n[n-]1 ZINC000819453892 586965447 /nfs/dbraw/zinc/96/54/47/586965447.db2.gz AWJBNDVGMUFKBJ-SMMXGFFBSA-N -1 3 238.247 0.487 20 0 BCADHM COc1nnc(NC(=O)C=C[C@H]2CCCO2)[n-]1 ZINC000819453892 586965448 /nfs/dbraw/zinc/96/54/48/586965448.db2.gz AWJBNDVGMUFKBJ-SMMXGFFBSA-N -1 3 238.247 0.487 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C/[C@H]2CCCO2)n1 ZINC000819453892 586965449 /nfs/dbraw/zinc/96/54/49/586965449.db2.gz AWJBNDVGMUFKBJ-SMMXGFFBSA-N -1 3 238.247 0.487 20 0 BCADHM CCOCCO[N-]C(=O)/C=C\[C@H]1CCCO1 ZINC000819502671 586970696 /nfs/dbraw/zinc/97/06/96/586970696.db2.gz XHOWPYKNCYSOFT-WWQCOOJYSA-N -1 3 229.276 0.806 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C[C@](C)(O)C1CC1 ZINC000819541512 586975437 /nfs/dbraw/zinc/97/54/37/586975437.db2.gz BWZGVYDTAQJJJB-NSHDSACASA-N -1 3 231.292 0.356 20 0 BCADHM CCC(=O)N[C@H](C)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819763232 586990829 /nfs/dbraw/zinc/99/08/29/586990829.db2.gz BNRPIKWJVQLUEI-RNFRBKRXSA-N -1 3 243.332 0.509 20 0 BCADHM C[C@@H](CC(N)=O)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819778603 586993272 /nfs/dbraw/zinc/99/32/72/586993272.db2.gz PSJURQSBCOQNQI-NTSWFWBYSA-N -1 3 229.305 0.105 20 0 BCADHM CC[C@@H](C(=O)[N-]C1=NC[C@@H](C)S1)C(=O)OC ZINC000819781714 586993811 /nfs/dbraw/zinc/99/38/11/586993811.db2.gz LUILJQYNPNEUCU-RQJHMYQMSA-N -1 3 244.316 0.793 20 0 BCADHM CC(C)(C)C=CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000819972424 587009459 /nfs/dbraw/zinc/00/94/59/587009459.db2.gz DHVCEBRVCSKLTN-SNAWJCMRSA-N -1 3 234.263 0.993 20 0 BCADHM CC(C)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820112323 587022591 /nfs/dbraw/zinc/02/25/91/587022591.db2.gz RIKQDIISVSUDMF-UHFFFAOYSA-N -1 3 248.290 0.686 20 0 BCADHM CC(C)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820112323 587022593 /nfs/dbraw/zinc/02/25/93/587022593.db2.gz RIKQDIISVSUDMF-UHFFFAOYSA-N -1 3 248.290 0.686 20 0 BCADHM C[C@H]1CCN(CC(=O)NCC(=O)[O-])C[C@H]1C ZINC000820238051 587037662 /nfs/dbraw/zinc/03/76/62/587037662.db2.gz IQVBYFSAZLTYHA-DTWKUNHWSA-N -1 3 228.292 0.165 20 0 BCADHM C[C@H](CCO)CNc1ncccc1-c1nnn[n-]1 ZINC000820248935 587038367 /nfs/dbraw/zinc/03/83/67/587038367.db2.gz PMKZPMVFCITZMD-MRVPVSSYSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@H](CCO)CNc1ncccc1-c1nn[n-]n1 ZINC000820248935 587038368 /nfs/dbraw/zinc/03/83/68/587038368.db2.gz PMKZPMVFCITZMD-MRVPVSSYSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@@H](CO)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820280345 587040227 /nfs/dbraw/zinc/04/02/27/587040227.db2.gz DSFHKLLUIWEUGN-JGVFFNPUSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](CO)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820280345 587040229 /nfs/dbraw/zinc/04/02/29/587040229.db2.gz DSFHKLLUIWEUGN-JGVFFNPUSA-N -1 3 248.290 0.691 20 0 BCADHM CCc1cc(CN[C@@H](C)CC(=O)[O-])[nH]n1 ZINC000820474367 587050591 /nfs/dbraw/zinc/05/05/91/587050591.db2.gz SORGKYJAJLJMFV-ZETCQYMHSA-N -1 3 211.265 0.925 20 0 BCADHM C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000820481713 587050989 /nfs/dbraw/zinc/05/09/89/587050989.db2.gz YYAGPHWVPYVNPK-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000820481713 587050990 /nfs/dbraw/zinc/05/09/90/587050990.db2.gz YYAGPHWVPYVNPK-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM CCO[N-]C(=O)CCc1ocnc1C(=O)OC ZINC000820517263 587052208 /nfs/dbraw/zinc/05/22/08/587052208.db2.gz CVKCPGFHFXIGRR-UHFFFAOYSA-N -1 3 242.231 0.462 20 0 BCADHM CCO[N-]C(=O)CC1CCN(OC)CC1 ZINC000820518147 587052263 /nfs/dbraw/zinc/05/22/63/587052263.db2.gz TVXDUTYFRNQUQE-UHFFFAOYSA-N -1 3 216.281 0.718 20 0 BCADHM CN(C)C(=O)N1CCN(CC(=O)[O-])C(C)(C)C1 ZINC000820530440 587052822 /nfs/dbraw/zinc/05/28/22/587052822.db2.gz LIHKDSYRWQNDGZ-UHFFFAOYSA-N -1 3 243.307 0.149 20 0 BCADHM CC1(C)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820602020 587058123 /nfs/dbraw/zinc/05/81/23/587058123.db2.gz YNWIGSDSRCEKTR-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CC1(C)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820602020 587058125 /nfs/dbraw/zinc/05/81/25/587058125.db2.gz YNWIGSDSRCEKTR-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CN1CCC[C@H](N2CCC(C(=O)[O-])CC2)C1=O ZINC000820620135 587059446 /nfs/dbraw/zinc/05/94/46/587059446.db2.gz GSHXUXVCSRZHNE-JTQLQIEISA-N -1 3 240.303 0.404 20 0 BCADHM CN1CCC[C@@H](N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC000820620159 587059539 /nfs/dbraw/zinc/05/95/39/587059539.db2.gz HUSXITOSDFQTMC-RKDXNWHRSA-N -1 3 226.276 0.014 20 0 BCADHM COC(=O)[C@H](C1CC1)N1CC[C@@H](C(=O)[O-])C1 ZINC000820653186 587062388 /nfs/dbraw/zinc/06/23/88/587062388.db2.gz AKVDTCQTSPMVMA-BDAKNGLRSA-N -1 3 227.260 0.345 20 0 BCADHM COC(=O)[C@@H](C1CC1)N1CC[C@@H](C(=O)[O-])C1 ZINC000820653189 587062678 /nfs/dbraw/zinc/06/26/78/587062678.db2.gz AKVDTCQTSPMVMA-RKDXNWHRSA-N -1 3 227.260 0.345 20 0 BCADHM CO[C@H](COC(=O)c1cnn[n-]1)C1CC1 ZINC000820660305 587063551 /nfs/dbraw/zinc/06/35/51/587063551.db2.gz QWLHPAIACMKWGW-MRVPVSSYSA-N -1 3 211.221 0.387 20 0 BCADHM CO[C@H](COC(=O)c1c[n-]nn1)C1CC1 ZINC000820660305 587063553 /nfs/dbraw/zinc/06/35/53/587063553.db2.gz QWLHPAIACMKWGW-MRVPVSSYSA-N -1 3 211.221 0.387 20 0 BCADHM C[C@H]1C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820676937 587065920 /nfs/dbraw/zinc/06/59/20/587065920.db2.gz PQEPIDDZTXEGKO-FSPLSTOPSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@H]1C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820676937 587065922 /nfs/dbraw/zinc/06/59/22/587065922.db2.gz PQEPIDDZTXEGKO-FSPLSTOPSA-N -1 3 232.247 0.333 20 0 BCADHM CC(=O)[N-]O[C@@H](C(=O)N(C)C)C(C)C ZINC000820705393 587067575 /nfs/dbraw/zinc/06/75/75/587067575.db2.gz BXKRENWCJZALQY-MRVPVSSYSA-N -1 3 202.254 0.167 20 0 BCADHM CS(C)(=O)=NS(=O)(=O)[N-]C1CCCC1 ZINC000820749399 587070100 /nfs/dbraw/zinc/07/01/00/587070100.db2.gz ZJEIHLSBIACVJF-UHFFFAOYSA-N -1 3 240.350 0.491 20 0 BCADHM COc1ccc(CN(C)[C@H](C)C(=O)[O-])nc1 ZINC000820832522 587075289 /nfs/dbraw/zinc/07/52/89/587075289.db2.gz RRMONBMQAUUHOR-MRVPVSSYSA-N -1 3 224.260 0.995 20 0 BCADHM COc1ccccc1[C@H](CO)NCC(=O)[O-] ZINC000820876461 587079156 /nfs/dbraw/zinc/07/91/56/587079156.db2.gz LZKBYQZAIYEZRJ-VIFPVBQESA-N -1 3 225.244 0.403 20 0 BCADHM COc1ccccc1[C@@H](CO)NCC(=O)[O-] ZINC000820876459 587079367 /nfs/dbraw/zinc/07/93/67/587079367.db2.gz LZKBYQZAIYEZRJ-SECBINFHSA-N -1 3 225.244 0.403 20 0 BCADHM CC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820909571 587081452 /nfs/dbraw/zinc/08/14/52/587081452.db2.gz WYVXMTYMLCEODL-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM CC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820909571 587081454 /nfs/dbraw/zinc/08/14/54/587081454.db2.gz WYVXMTYMLCEODL-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM CC[C@H](CO)NCc1ccc(-c2nnn[n-]2)o1 ZINC000820908902 587081572 /nfs/dbraw/zinc/08/15/72/587081572.db2.gz REBFBRRBCHBIKX-SSDOTTSWSA-N -1 3 237.263 0.320 20 0 BCADHM CC[C@H](CO)NCc1ccc(-c2nn[n-]n2)o1 ZINC000820908902 587081573 /nfs/dbraw/zinc/08/15/73/587081573.db2.gz REBFBRRBCHBIKX-SSDOTTSWSA-N -1 3 237.263 0.320 20 0 BCADHM CC[C@@H](O)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820932615 587082505 /nfs/dbraw/zinc/08/25/05/587082505.db2.gz PNLLXMLXCGZHNH-SECBINFHSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@H](O)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820932615 587082508 /nfs/dbraw/zinc/08/25/08/587082508.db2.gz PNLLXMLXCGZHNH-SECBINFHSA-N -1 3 248.290 0.835 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@@]1(C)C=CCC1 ZINC000820996077 587086734 /nfs/dbraw/zinc/08/67/34/587086734.db2.gz CMGSEUDJIALJFY-NSHDSACASA-N -1 3 212.293 0.952 20 0 BCADHM CCCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821071445 587093540 /nfs/dbraw/zinc/09/35/40/587093540.db2.gz FGYTXPAUYXGTFX-UHFFFAOYSA-N -1 3 234.263 0.725 20 0 BCADHM CCCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821071445 587093542 /nfs/dbraw/zinc/09/35/42/587093542.db2.gz FGYTXPAUYXGTFX-UHFFFAOYSA-N -1 3 234.263 0.725 20 0 BCADHM CCN(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821159931 587099283 /nfs/dbraw/zinc/09/92/83/587099283.db2.gz DQHYPVAMQBYFMT-UHFFFAOYSA-N -1 3 245.286 0.888 20 0 BCADHM CCN(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821159931 587099284 /nfs/dbraw/zinc/09/92/84/587099284.db2.gz DQHYPVAMQBYFMT-UHFFFAOYSA-N -1 3 245.286 0.888 20 0 BCADHM Cc1nc2n(n1)CCC[C@H]2N[C@H](C)CC(=O)[O-] ZINC000821181371 587100205 /nfs/dbraw/zinc/10/02/05/587100205.db2.gz DPIQLCIPLWFENV-VXNVDRBHSA-N -1 3 238.291 0.874 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1nncn1C ZINC000821388147 587115534 /nfs/dbraw/zinc/11/55/34/587115534.db2.gz GBYMTQAVGLGIJS-UHFFFAOYSA-N -1 3 218.207 0.477 20 0 BCADHM CO[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821697903 587134469 /nfs/dbraw/zinc/13/44/69/587134469.db2.gz WPMJQGHLTOJBCM-VIFPVBQESA-N -1 3 246.274 0.487 20 0 BCADHM CO[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821697903 587134470 /nfs/dbraw/zinc/13/44/70/587134470.db2.gz WPMJQGHLTOJBCM-VIFPVBQESA-N -1 3 246.274 0.487 20 0 BCADHM COC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821682612 587134834 /nfs/dbraw/zinc/13/48/34/587134834.db2.gz JVCOANPBRZIVQX-SSDOTTSWSA-N -1 3 234.263 0.709 20 0 BCADHM COC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821682612 587134835 /nfs/dbraw/zinc/13/48/35/587134835.db2.gz JVCOANPBRZIVQX-SSDOTTSWSA-N -1 3 234.263 0.709 20 0 BCADHM CN(CC(=O)[N-]OCCO)CC(C)(C)C ZINC000822062964 587151141 /nfs/dbraw/zinc/15/11/41/587151141.db2.gz XNURSVFMXWOBSX-UHFFFAOYSA-N -1 3 218.297 0.004 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(NCC(C)(C)O)n1 ZINC000822214941 587158386 /nfs/dbraw/zinc/15/83/86/587158386.db2.gz FHFQODWFJSZIJW-UHFFFAOYSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(NCC(C)(C)O)n1 ZINC000822214941 587158388 /nfs/dbraw/zinc/15/83/88/587158388.db2.gz FHFQODWFJSZIJW-UHFFFAOYSA-N -1 3 248.290 0.753 20 0 BCADHM CCCC[C@](C)(F)C(=O)NN1CC(=O)[N-]C1=O ZINC000822325659 587162659 /nfs/dbraw/zinc/16/26/59/587162659.db2.gz DDXJAVNXGCUKGG-JTQLQIEISA-N -1 3 245.254 0.488 20 0 BCADHM Cc1cn(Cc2ncnn2C)cc1-c1nnn[n-]1 ZINC000822389289 587165322 /nfs/dbraw/zinc/16/53/22/587165322.db2.gz RAJHQLPSHFVHNB-UHFFFAOYSA-N -1 3 244.262 0.153 20 0 BCADHM Cc1cn(Cc2ncnn2C)cc1-c1nn[n-]n1 ZINC000822389289 587165323 /nfs/dbraw/zinc/16/53/23/587165323.db2.gz RAJHQLPSHFVHNB-UHFFFAOYSA-N -1 3 244.262 0.153 20 0 BCADHM CC(C)(O)CO[N-]C(=O)c1c(F)cncc1F ZINC000822495370 587171731 /nfs/dbraw/zinc/17/17/31/587171731.db2.gz WCFPQYZVHAKWBY-UHFFFAOYSA-N -1 3 246.213 0.792 20 0 BCADHM COC(OC)C(=O)NCc1ncccc1[O-] ZINC000822578811 587175836 /nfs/dbraw/zinc/17/58/36/587175836.db2.gz QGHREFXKXFIBKQ-UHFFFAOYSA-N -1 3 226.232 0.022 20 0 BCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC1CCC1 ZINC000822631935 587178320 /nfs/dbraw/zinc/17/83/20/587178320.db2.gz MHPRSERNDXQMTE-UHFFFAOYSA-N -1 3 246.274 0.488 20 0 BCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC1CCC1 ZINC000822631935 587178322 /nfs/dbraw/zinc/17/83/22/587178322.db2.gz MHPRSERNDXQMTE-UHFFFAOYSA-N -1 3 246.274 0.488 20 0 BCADHM FC(F)CNc1ncccc1-c1nnn[n-]1 ZINC000822732875 587183091 /nfs/dbraw/zinc/18/30/91/587183091.db2.gz NJBFRBINOBCTPT-UHFFFAOYSA-N -1 3 226.190 0.939 20 0 BCADHM FC(F)CNc1ncccc1-c1nn[n-]n1 ZINC000822732875 587183092 /nfs/dbraw/zinc/18/30/92/587183092.db2.gz NJBFRBINOBCTPT-UHFFFAOYSA-N -1 3 226.190 0.939 20 0 BCADHM FC(F)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000822733352 587183248 /nfs/dbraw/zinc/18/32/48/587183248.db2.gz ZDMCLYJTEZEHLI-UHFFFAOYSA-N -1 3 226.190 0.939 20 0 BCADHM FC(F)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000822733352 587183250 /nfs/dbraw/zinc/18/32/50/587183250.db2.gz ZDMCLYJTEZEHLI-UHFFFAOYSA-N -1 3 226.190 0.939 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1CC[C@@H]1C(=O)OC ZINC000822914148 587192453 /nfs/dbraw/zinc/19/24/53/587192453.db2.gz RBTZRGLEMMTZBJ-BDAKNGLRSA-N -1 3 245.275 0.270 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)C1=CCS(=O)(=O)C1 ZINC000823100512 587202719 /nfs/dbraw/zinc/20/27/19/587202719.db2.gz DRRFTLCBYQHLJO-MRVPVSSYSA-N -1 3 247.316 0.435 20 0 BCADHM CCc1n[n-]c(Cl)c1C(=O)O[C@H](C)C(N)=O ZINC000860223571 589090074 /nfs/dbraw/zinc/09/00/74/589090074.db2.gz BKJJDOBPOBMUMB-SCSAIBSYSA-N -1 3 245.666 0.656 20 0 BCADHM CCc1[n-]nc(Cl)c1C(=O)O[C@H](C)C(N)=O ZINC000860223571 589090076 /nfs/dbraw/zinc/09/00/76/589090076.db2.gz BKJJDOBPOBMUMB-SCSAIBSYSA-N -1 3 245.666 0.656 20 0 BCADHM O=C([N-]OCCC1CC1)C1=CCS(=O)(=O)C1 ZINC000823145554 587205093 /nfs/dbraw/zinc/20/50/93/587205093.db2.gz PWPLPWLEPKURIN-UHFFFAOYSA-N -1 3 245.300 0.189 20 0 BCADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OC(C)C ZINC000823301863 587214724 /nfs/dbraw/zinc/21/47/24/587214724.db2.gz JCFXPCQBOFPFJO-JGVFFNPUSA-N -1 3 215.249 0.642 20 0 BCADHM O=C(C[C@H]1CCCS1(=O)=O)[N-]OC1CCC1 ZINC000823303329 587214726 /nfs/dbraw/zinc/21/47/26/587214726.db2.gz YNIKUKCEEGWDCW-SECBINFHSA-N -1 3 247.316 0.554 20 0 BCADHM CC[C@@](C)(O)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000823304894 587215628 /nfs/dbraw/zinc/21/56/28/587215628.db2.gz AWARTQURXWSMOR-IMTBSYHQSA-N -1 3 216.306 0.755 20 0 BCADHM O=C(Nc1cnoc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823375646 587218313 /nfs/dbraw/zinc/21/83/13/587218313.db2.gz CVNJUBJRWVCQOM-UHFFFAOYSA-N -1 3 245.202 0.435 20 0 BCADHM O=C(Nc1cnoc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823375646 587218315 /nfs/dbraw/zinc/21/83/15/587218315.db2.gz CVNJUBJRWVCQOM-UHFFFAOYSA-N -1 3 245.202 0.435 20 0 BCADHM O=C(OCCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000823405757 587219998 /nfs/dbraw/zinc/21/99/98/587219998.db2.gz UOIRBJXHQXGJOH-UHFFFAOYSA-N -1 3 234.215 0.016 20 0 BCADHM O=C(OCCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000823405757 587219999 /nfs/dbraw/zinc/21/99/99/587219999.db2.gz UOIRBJXHQXGJOH-UHFFFAOYSA-N -1 3 234.215 0.016 20 0 BCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC1 ZINC000823459931 587223857 /nfs/dbraw/zinc/22/38/57/587223857.db2.gz DOUREWCDIYQZLV-UHFFFAOYSA-N -1 3 218.220 0.041 20 0 BCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC1 ZINC000823459931 587223859 /nfs/dbraw/zinc/22/38/59/587223859.db2.gz DOUREWCDIYQZLV-UHFFFAOYSA-N -1 3 218.220 0.041 20 0 BCADHM O[C@@H](CN1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681283 587236015 /nfs/dbraw/zinc/23/60/15/587236015.db2.gz CZFMDBAPPRRQDY-NSHDSACASA-N -1 3 245.286 0.606 20 0 BCADHM OCC1(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823715587 587237522 /nfs/dbraw/zinc/23/75/22/587237522.db2.gz VLMCODMSRMRHGK-UHFFFAOYSA-N -1 3 246.274 0.446 20 0 BCADHM OCC1(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823715587 587237524 /nfs/dbraw/zinc/23/75/24/587237524.db2.gz VLMCODMSRMRHGK-UHFFFAOYSA-N -1 3 246.274 0.446 20 0 BCADHM OCCN(c1ncccc1-c1nnn[n-]1)C1CC1 ZINC000823722073 587238045 /nfs/dbraw/zinc/23/80/45/587238045.db2.gz KOMLEILMSMXTEP-UHFFFAOYSA-N -1 3 246.274 0.223 20 0 BCADHM OCCN(c1ncccc1-c1nn[n-]n1)C1CC1 ZINC000823722073 587238048 /nfs/dbraw/zinc/23/80/48/587238048.db2.gz KOMLEILMSMXTEP-UHFFFAOYSA-N -1 3 246.274 0.223 20 0 BCADHM c1cc(-c2nnn[n-]2)ncc1NC[C@@H]1CCCO1 ZINC000823748234 587238878 /nfs/dbraw/zinc/23/88/78/587238878.db2.gz RPCCWHNTDOUAOR-VIFPVBQESA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(-c2nn[n-]n2)ncc1NC[C@@H]1CCCO1 ZINC000823748234 587238879 /nfs/dbraw/zinc/23/88/79/587238879.db2.gz RPCCWHNTDOUAOR-VIFPVBQESA-N -1 3 246.274 0.853 20 0 BCADHM CCn1cc(C(=O)[N-]c2conc2C)nn1 ZINC000823752431 587239261 /nfs/dbraw/zinc/23/92/61/587239261.db2.gz LOUPKZITAIKMKX-UHFFFAOYSA-N -1 3 221.220 0.847 20 0 BCADHM CC(C)(O)CCN1CCCN(C(=O)[O-])CC1 ZINC000824035376 587250473 /nfs/dbraw/zinc/25/04/73/587250473.db2.gz PKTFTKCMIZLPLC-UHFFFAOYSA-N -1 3 230.308 0.833 20 0 BCADHM CC(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824249903 587262947 /nfs/dbraw/zinc/26/29/47/587262947.db2.gz WSJPVXXWMNJUHO-UHFFFAOYSA-N -1 3 248.290 0.971 20 0 BCADHM CC(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824249903 587262948 /nfs/dbraw/zinc/26/29/48/587262948.db2.gz WSJPVXXWMNJUHO-UHFFFAOYSA-N -1 3 248.290 0.971 20 0 BCADHM CC(C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824284844 587264471 /nfs/dbraw/zinc/26/44/71/587264471.db2.gz OVDJRCBMYGKZBN-UHFFFAOYSA-N -1 3 234.263 0.675 20 0 BCADHM CC(C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824284844 587264472 /nfs/dbraw/zinc/26/44/72/587264472.db2.gz OVDJRCBMYGKZBN-UHFFFAOYSA-N -1 3 234.263 0.675 20 0 BCADHM CC(C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824284640 587264541 /nfs/dbraw/zinc/26/45/41/587264541.db2.gz KWOHKBDFLAPFQV-UHFFFAOYSA-N -1 3 234.263 0.675 20 0 BCADHM CC(C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824284640 587264542 /nfs/dbraw/zinc/26/45/42/587264542.db2.gz KWOHKBDFLAPFQV-UHFFFAOYSA-N -1 3 234.263 0.675 20 0 BCADHM CC(C)N(C)CC(=O)NCC(C)(C)NC(=O)[O-] ZINC000824330266 587266395 /nfs/dbraw/zinc/26/63/95/587266395.db2.gz XEZIBKFLIQDXMH-UHFFFAOYSA-N -1 3 245.323 0.489 20 0 BCADHM CC(C)OC(=O)CCN(C)[C@H](C)CNC(=O)[O-] ZINC000824387613 587268514 /nfs/dbraw/zinc/26/85/14/587268514.db2.gz GCTJQZPEVNRPGM-SECBINFHSA-N -1 3 246.307 0.916 20 0 BCADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000824507172 587272508 /nfs/dbraw/zinc/27/25/08/587272508.db2.gz VECGWZVQHCQBKM-LURJTMIESA-N -1 3 246.274 0.723 20 0 BCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000824507172 587272509 /nfs/dbraw/zinc/27/25/09/587272509.db2.gz VECGWZVQHCQBKM-LURJTMIESA-N -1 3 246.274 0.723 20 0 BCADHM C[C@H](O)C(C)(C)Nc1ncccc1-c1nnn[n-]1 ZINC000824679751 587282284 /nfs/dbraw/zinc/28/22/84/587282284.db2.gz VQEJMMAEQMGZQR-ZETCQYMHSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](O)C(C)(C)Nc1ncccc1-c1nn[n-]n1 ZINC000824679751 587282286 /nfs/dbraw/zinc/28/22/86/587282286.db2.gz VQEJMMAEQMGZQR-ZETCQYMHSA-N -1 3 248.290 0.833 20 0 BCADHM O=C(CN1CCCC1)[N-]OCC1CCC1 ZINC000824736746 587284878 /nfs/dbraw/zinc/28/48/78/587284878.db2.gz XLGZFUQUHIHSBG-UHFFFAOYSA-N -1 3 212.293 0.930 20 0 BCADHM CSc1nnc(NC(=O)[C@@H](O)C2CC2)[n-]1 ZINC000824783787 587287137 /nfs/dbraw/zinc/28/71/37/587287137.db2.gz XRYGUNGZMNDXEQ-YFKPBYRVSA-N -1 3 228.277 0.236 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H](O)C2CC2)n1 ZINC000824783787 587287138 /nfs/dbraw/zinc/28/71/38/587287138.db2.gz XRYGUNGZMNDXEQ-YFKPBYRVSA-N -1 3 228.277 0.236 20 0 BCADHM CSc1nc(NC(=O)[C@@H](O)C2CC2)n[n-]1 ZINC000824783787 587287139 /nfs/dbraw/zinc/28/71/39/587287139.db2.gz XRYGUNGZMNDXEQ-YFKPBYRVSA-N -1 3 228.277 0.236 20 0 BCADHM C[C@H](CN(C)C(=O)[O-])C(=O)N(C)CCN(C)C ZINC000824825682 587289370 /nfs/dbraw/zinc/28/93/70/587289370.db2.gz UPHSRZSWWXACMJ-SECBINFHSA-N -1 3 245.323 0.252 20 0 BCADHM CC1(CNc2cnccc2-c2nnn[n-]2)COC1 ZINC000824828856 587289587 /nfs/dbraw/zinc/28/95/87/587289587.db2.gz ABJXTEARJUWDKI-UHFFFAOYSA-N -1 3 246.274 0.710 20 0 BCADHM CC1(CNc2cnccc2-c2nn[n-]n2)COC1 ZINC000824828856 587289588 /nfs/dbraw/zinc/28/95/88/587289588.db2.gz ABJXTEARJUWDKI-UHFFFAOYSA-N -1 3 246.274 0.710 20 0 BCADHM [O-]C(=NOCCO)Nc1cc(F)ccn1 ZINC000824850303 587290333 /nfs/dbraw/zinc/29/03/33/587290333.db2.gz KYJFGTJIXVYUSO-UHFFFAOYSA-N -1 3 215.184 0.266 20 0 BCADHM O=C([N-]OCCO)Nc1cc(F)ccn1 ZINC000824850303 587290334 /nfs/dbraw/zinc/29/03/34/587290334.db2.gz KYJFGTJIXVYUSO-UHFFFAOYSA-N -1 3 215.184 0.266 20 0 BCADHM C[C@H]1C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824897837 587292653 /nfs/dbraw/zinc/29/26/53/587292653.db2.gz BPFTVOYEMSHKGA-NKWVEPMBSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@H]1C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824897837 587292657 /nfs/dbraw/zinc/29/26/57/587292657.db2.gz BPFTVOYEMSHKGA-NKWVEPMBSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC000824945219 587294171 /nfs/dbraw/zinc/29/41/71/587294171.db2.gz ALFVFFLXRSNXDU-ZETCQYMHSA-N -1 3 246.274 0.677 20 0 BCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC000824945219 587294172 /nfs/dbraw/zinc/29/41/72/587294172.db2.gz ALFVFFLXRSNXDU-ZETCQYMHSA-N -1 3 246.274 0.677 20 0 BCADHM CCn1ccc(NC([O-])=NOC(C)(C)CO)n1 ZINC000824955750 587294414 /nfs/dbraw/zinc/29/44/14/587294414.db2.gz BCJQZIUIKOILHH-UHFFFAOYSA-N -1 3 242.279 0.727 20 0 BCADHM CCn1ccc(NC(=O)[N-]OC(C)(C)CO)n1 ZINC000824955750 587294415 /nfs/dbraw/zinc/29/44/15/587294415.db2.gz BCJQZIUIKOILHH-UHFFFAOYSA-N -1 3 242.279 0.727 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1O ZINC000824992231 587297626 /nfs/dbraw/zinc/29/76/26/587297626.db2.gz KXNIHGYHJNWBHI-KWQFWETISA-N -1 3 245.286 0.684 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1O ZINC000824992231 587297627 /nfs/dbraw/zinc/29/76/27/587297627.db2.gz KXNIHGYHJNWBHI-KWQFWETISA-N -1 3 245.286 0.684 20 0 BCADHM C[C@@H]1OCC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC000825021764 587299135 /nfs/dbraw/zinc/29/91/35/587299135.db2.gz UHQKIUARAJYMAA-IONNQARKSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@@H]1OCC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC000825021764 587299136 /nfs/dbraw/zinc/29/91/36/587299136.db2.gz UHQKIUARAJYMAA-IONNQARKSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@H]1OCC[C@@H]1Nc1cnccc1-c1nnn[n-]1 ZINC000825021443 587299294 /nfs/dbraw/zinc/29/92/94/587299294.db2.gz QRLGGUVHVFTCCD-APPZFPTMSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@H]1OCC[C@@H]1Nc1cnccc1-c1nn[n-]n1 ZINC000825021443 587299296 /nfs/dbraw/zinc/29/92/96/587299296.db2.gz QRLGGUVHVFTCCD-APPZFPTMSA-N -1 3 246.274 0.851 20 0 BCADHM C/C=C\COC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825028562 587299644 /nfs/dbraw/zinc/29/96/44/587299644.db2.gz JCEQLXBYCYOASS-IHWYPQMZSA-N -1 3 233.231 0.928 20 0 BCADHM C/C=C\COC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825028562 587299645 /nfs/dbraw/zinc/29/96/45/587299645.db2.gz JCEQLXBYCYOASS-IHWYPQMZSA-N -1 3 233.231 0.928 20 0 BCADHM CCCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825291244 587313262 /nfs/dbraw/zinc/31/32/62/587313262.db2.gz PFMGCBXGLUJBOG-UHFFFAOYSA-N -1 3 234.263 0.725 20 0 BCADHM CCCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825291244 587313263 /nfs/dbraw/zinc/31/32/63/587313263.db2.gz PFMGCBXGLUJBOG-UHFFFAOYSA-N -1 3 234.263 0.725 20 0 BCADHM CCCCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825291245 587313356 /nfs/dbraw/zinc/31/33/56/587313356.db2.gz PFWYGVSGJCQZAP-UHFFFAOYSA-N -1 3 234.263 0.725 20 0 BCADHM CCCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825291245 587313358 /nfs/dbraw/zinc/31/33/58/587313358.db2.gz PFWYGVSGJCQZAP-UHFFFAOYSA-N -1 3 234.263 0.725 20 0 BCADHM CCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825465594 587320588 /nfs/dbraw/zinc/32/05/88/587320588.db2.gz NVTZSZMNODGSHY-SECBINFHSA-N -1 3 247.258 0.036 20 0 BCADHM CCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825465594 587320590 /nfs/dbraw/zinc/32/05/90/587320590.db2.gz NVTZSZMNODGSHY-SECBINFHSA-N -1 3 247.258 0.036 20 0 BCADHM C[C@H](O)C1CCN(CCNC(=O)[O-])CC1 ZINC000825514474 587322534 /nfs/dbraw/zinc/32/25/34/587322534.db2.gz HBLIWYYLHYLNFA-QMMMGPOBSA-N -1 3 216.281 0.347 20 0 BCADHM CCOCCN(C)c1ncccc1-c1nnn[n-]1 ZINC000825593783 587326743 /nfs/dbraw/zinc/32/67/43/587326743.db2.gz DTQFWQAAOOTPQI-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM CCOCCN(C)c1ncccc1-c1nn[n-]n1 ZINC000825593783 587326744 /nfs/dbraw/zinc/32/67/44/587326744.db2.gz DTQFWQAAOOTPQI-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM CN(C)C1CN(c2ncccc2-c2nnn[n-]2)C1 ZINC000825856564 587341712 /nfs/dbraw/zinc/34/17/12/587341712.db2.gz XCBILSXKSWAZRM-UHFFFAOYSA-N -1 3 245.290 0.012 20 0 BCADHM CN(C)C1CN(c2ncccc2-c2nn[n-]n2)C1 ZINC000825856564 587341714 /nfs/dbraw/zinc/34/17/14/587341714.db2.gz XCBILSXKSWAZRM-UHFFFAOYSA-N -1 3 245.290 0.012 20 0 BCADHM CC(=O)N[C@H]1CCCN(C/C=C(\C)C(=O)[O-])C1 ZINC000825871657 587342987 /nfs/dbraw/zinc/34/29/87/587342987.db2.gz USMAYEXOJMZRLX-NKLKJHRZSA-N -1 3 240.303 0.618 20 0 BCADHM COC1CN(c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000826146826 587351217 /nfs/dbraw/zinc/35/12/17/587351217.db2.gz FHZHLBKZYMLMGE-UHFFFAOYSA-N -1 3 246.274 0.405 20 0 BCADHM COC1CN(c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000826146826 587351218 /nfs/dbraw/zinc/35/12/18/587351218.db2.gz FHZHLBKZYMLMGE-UHFFFAOYSA-N -1 3 246.274 0.405 20 0 BCADHM CONC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826166619 587351449 /nfs/dbraw/zinc/35/14/49/587351449.db2.gz SYAVMVSRZVPQGM-UHFFFAOYSA-N -1 3 233.231 0.466 20 0 BCADHM CONC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826166619 587351450 /nfs/dbraw/zinc/35/14/50/587351450.db2.gz SYAVMVSRZVPQGM-UHFFFAOYSA-N -1 3 233.231 0.466 20 0 BCADHM CO[C@H]1CCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000826166631 587351758 /nfs/dbraw/zinc/35/17/58/587351758.db2.gz UFNUMWLLCATVPR-QMMMGPOBSA-N -1 3 246.274 0.487 20 0 BCADHM CO[C@H]1CCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000826166631 587351759 /nfs/dbraw/zinc/35/17/59/587351759.db2.gz UFNUMWLLCATVPR-QMMMGPOBSA-N -1 3 246.274 0.487 20 0 BCADHM CON(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826166684 587351860 /nfs/dbraw/zinc/35/18/60/587351860.db2.gz WKFUQRQTZAULIS-UHFFFAOYSA-N -1 3 240.654 0.913 20 0 BCADHM CON(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826166684 587351861 /nfs/dbraw/zinc/35/18/61/587351861.db2.gz WKFUQRQTZAULIS-UHFFFAOYSA-N -1 3 240.654 0.913 20 0 BCADHM Cc1ccnc(N[C@@H](C)CCO)c1-c1nnn[n-]1 ZINC000826311785 587352109 /nfs/dbraw/zinc/35/21/09/587352109.db2.gz NJFWHNKQTIXPMU-QMMMGPOBSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccnc(N[C@@H](C)CCO)c1-c1nn[n-]n1 ZINC000826311785 587352110 /nfs/dbraw/zinc/35/21/10/587352110.db2.gz NJFWHNKQTIXPMU-QMMMGPOBSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccnc(N[C@H](C)CCO)c1-c1nnn[n-]1 ZINC000826311784 587352155 /nfs/dbraw/zinc/35/21/55/587352155.db2.gz NJFWHNKQTIXPMU-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccnc(N[C@H](C)CCO)c1-c1nn[n-]n1 ZINC000826311784 587352156 /nfs/dbraw/zinc/35/21/56/587352156.db2.gz NJFWHNKQTIXPMU-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1nnc(N2CC(F)C2)c(-c2nnn[n-]2)c1C ZINC000826336330 587352303 /nfs/dbraw/zinc/35/23/03/587352303.db2.gz USKZUKWAXKMXMH-UHFFFAOYSA-N -1 3 249.253 0.432 20 0 BCADHM Cc1nnc(N2CC(F)C2)c(-c2nn[n-]n2)c1C ZINC000826336330 587352304 /nfs/dbraw/zinc/35/23/04/587352304.db2.gz USKZUKWAXKMXMH-UHFFFAOYSA-N -1 3 249.253 0.432 20 0 BCADHM Cn1nccc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826366538 587352631 /nfs/dbraw/zinc/35/26/31/587352631.db2.gz MXDAOUIEHNCOEC-UHFFFAOYSA-N -1 3 229.247 0.450 20 0 BCADHM Cn1nccc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826366538 587352632 /nfs/dbraw/zinc/35/26/32/587352632.db2.gz MXDAOUIEHNCOEC-UHFFFAOYSA-N -1 3 229.247 0.450 20 0 BCADHM O[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826510640 587352883 /nfs/dbraw/zinc/35/28/83/587352883.db2.gz BVTJPKNIXKSOIE-ZETCQYMHSA-N -1 3 235.247 0.026 20 0 BCADHM O[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826510640 587352884 /nfs/dbraw/zinc/35/28/84/587352884.db2.gz BVTJPKNIXKSOIE-ZETCQYMHSA-N -1 3 235.247 0.026 20 0 BCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC1 ZINC000826469110 587352892 /nfs/dbraw/zinc/35/28/92/587352892.db2.gz UYVYAUJPLCDPNW-UHFFFAOYSA-N -1 3 218.220 0.041 20 0 BCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC1 ZINC000826469110 587352893 /nfs/dbraw/zinc/35/28/93/587352893.db2.gz UYVYAUJPLCDPNW-UHFFFAOYSA-N -1 3 218.220 0.041 20 0 BCADHM O=C(NCC(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826433124 587353003 /nfs/dbraw/zinc/35/30/03/587353003.db2.gz VQZWWQABVRNOFX-UHFFFAOYSA-N -1 3 242.189 0.190 20 0 BCADHM O=C(NCC(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826433124 587353004 /nfs/dbraw/zinc/35/30/04/587353004.db2.gz VQZWWQABVRNOFX-UHFFFAOYSA-N -1 3 242.189 0.190 20 0 BCADHM O[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826507766 587353096 /nfs/dbraw/zinc/35/30/96/587353096.db2.gz WDXOKIFHOPFVOG-QMMMGPOBSA-N -1 3 249.274 0.416 20 0 BCADHM O[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826507766 587353097 /nfs/dbraw/zinc/35/30/97/587353097.db2.gz WDXOKIFHOPFVOG-QMMMGPOBSA-N -1 3 249.274 0.416 20 0 BCADHM O=C(NCCC1CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826436476 587353250 /nfs/dbraw/zinc/35/32/50/587353250.db2.gz VDSFGEDXGQWBII-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM O=C(NCCC1CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826436476 587353251 /nfs/dbraw/zinc/35/32/51/587353251.db2.gz VDSFGEDXGQWBII-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM O=C(OCCCF)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826463359 587353367 /nfs/dbraw/zinc/35/33/67/587353367.db2.gz CABLIWIGGIDVJW-UHFFFAOYSA-N -1 3 239.210 0.711 20 0 BCADHM c1cc(-c2nnn[n-]2)c(N2CCCOCC2)cn1 ZINC000826512771 587353512 /nfs/dbraw/zinc/35/35/12/587353512.db2.gz NAIKBLIVBFZQBP-UHFFFAOYSA-N -1 3 246.274 0.488 20 0 BCADHM c1cc(-c2nn[n-]n2)c(N2CCCOCC2)cn1 ZINC000826512771 587353513 /nfs/dbraw/zinc/35/35/13/587353513.db2.gz NAIKBLIVBFZQBP-UHFFFAOYSA-N -1 3 246.274 0.488 20 0 BCADHM c1cc(-c2nnn[n-]2)c(N[C@H]2CCCOC2)cn1 ZINC000826512517 587353614 /nfs/dbraw/zinc/35/36/14/587353614.db2.gz DGQHCTGFKUHISZ-QMMMGPOBSA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(-c2nn[n-]n2)c(N[C@H]2CCCOC2)cn1 ZINC000826512517 587353615 /nfs/dbraw/zinc/35/36/15/587353615.db2.gz DGQHCTGFKUHISZ-QMMMGPOBSA-N -1 3 246.274 0.853 20 0 BCADHM CC[C@@H](O)CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000826625251 587356942 /nfs/dbraw/zinc/35/69/42/587356942.db2.gz CIBULSVYQHTGEM-DTWKUNHWSA-N -1 3 216.281 0.441 20 0 BCADHM CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000827030714 587368499 /nfs/dbraw/zinc/36/84/99/587368499.db2.gz ZYMDGRUKVBSPCU-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM CCN(CCNCc1ccnn1C)C(=O)[O-] ZINC000827150165 587371381 /nfs/dbraw/zinc/37/13/81/587371381.db2.gz AGQYJDYVSYGKQW-UHFFFAOYSA-N -1 3 226.280 0.510 20 0 BCADHM CCN1C[C@H](NC(=O)CN(C)C(=O)[O-])[C@@H](C)C1 ZINC000827198321 587372659 /nfs/dbraw/zinc/37/26/59/587372659.db2.gz HGDQJLXCGCLHBR-IUCAKERBSA-N -1 3 243.307 0.053 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000827255857 587374279 /nfs/dbraw/zinc/37/42/79/587374279.db2.gz HDZFNSOCENHEPZ-NXEZZACHSA-N -1 3 242.319 0.650 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N1CC[C@@H](N(C)C)C1 ZINC000827256555 587374370 /nfs/dbraw/zinc/37/43/70/587374370.db2.gz JAGHDBKIQNTFBG-DTWKUNHWSA-N -1 3 228.292 0.260 20 0 BCADHM CC(C)[C@H](CN(C)C)NC(=O)[C@H](C)CC(=O)[O-] ZINC000827271044 587374812 /nfs/dbraw/zinc/37/48/12/587374812.db2.gz FSCVOAXDKQZJFJ-ZJUUUORDSA-N -1 3 244.335 0.800 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)NC[C@H](C)N(C)C ZINC000827283372 587375222 /nfs/dbraw/zinc/37/52/22/587375222.db2.gz VMDVLNXJXCMIOG-YUMQZZPRSA-N -1 3 216.281 0.164 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)NC[C@H]1CCCN1C ZINC000827291157 587375410 /nfs/dbraw/zinc/37/54/10/587375410.db2.gz IQDUZEGDVKNTCZ-RKDXNWHRSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)NC[C@@H]1CCCN1C ZINC000827291154 587375571 /nfs/dbraw/zinc/37/55/71/587375571.db2.gz IQDUZEGDVKNTCZ-BDAKNGLRSA-N -1 3 228.292 0.308 20 0 BCADHM CCOC[C@@H](C)NC1CN(C(=O)[O-])C1 ZINC000827387581 587379249 /nfs/dbraw/zinc/37/92/49/587379249.db2.gz DTELZHKRJDIQHN-SSDOTTSWSA-N -1 3 202.254 0.363 20 0 BCADHM CC(C)N(C)C(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000827442258 587381798 /nfs/dbraw/zinc/38/17/98/587381798.db2.gz HJWSQTQLTPWUBS-ZJUUUORDSA-N -1 3 244.335 0.894 20 0 BCADHM CN(C)C(=O)CCN1CCC[C@@H]1CNC(=O)[O-] ZINC000827953080 587412966 /nfs/dbraw/zinc/41/29/66/587412966.db2.gz DBOHBTLDGDUMJP-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM CN(C)CCN(C)C(=O)C(C)(C)CNC(=O)[O-] ZINC000828024701 587416928 /nfs/dbraw/zinc/41/69/28/587416928.db2.gz SZIWUVQLEVVRSE-UHFFFAOYSA-N -1 3 245.323 0.300 20 0 BCADHM CN(CCCF)CCN1CCN(C(=O)[O-])CC1 ZINC000828285858 587431915 /nfs/dbraw/zinc/43/19/15/587431915.db2.gz WBZXTQMONXXEKH-UHFFFAOYSA-N -1 3 247.314 0.573 20 0 BCADHM C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C(=O)[O-] ZINC000828326041 587435023 /nfs/dbraw/zinc/43/50/23/587435023.db2.gz LCXIFOUPAZTOOL-OPRDCNLKSA-N -1 3 240.303 0.260 20 0 BCADHM C[C@H]1CCC[C@@]1(C)C(=O)[N-]OCC(N)=O ZINC000828414876 587441070 /nfs/dbraw/zinc/44/10/70/587441070.db2.gz AWYCVNKAJBTYOX-OIBJUYFYSA-N -1 3 214.265 0.346 20 0 BCADHM C[C@H]1CN(CN2CCOC2=S)C[C@H]1C(=O)[O-] ZINC000828457290 587443380 /nfs/dbraw/zinc/44/33/80/587443380.db2.gz SIFOTPKKBAXHPW-JGVFFNPUSA-N -1 3 244.316 0.214 20 0 BCADHM CC[C@H](C(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1)N(C)C ZINC000828586909 587451533 /nfs/dbraw/zinc/45/15/33/587451533.db2.gz LDBJUBIPESXYHK-LPEHRKFASA-N -1 3 242.319 0.506 20 0 BCADHM COC(=O)[C@H](C)CN(CCNC(=O)[O-])C1CC1 ZINC000828600843 587452648 /nfs/dbraw/zinc/45/26/48/587452648.db2.gz LLFQHSNZOBSHGC-MRVPVSSYSA-N -1 3 244.291 0.528 20 0 BCADHM CC[C@@H](C(=O)[O-])N1CCN(CCCCO)CC1 ZINC000828603535 587452727 /nfs/dbraw/zinc/45/27/27/587452727.db2.gz LGLCQUFKBVQACL-NSHDSACASA-N -1 3 244.335 0.240 20 0 BCADHM COC(=O)CCN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000828671256 587456329 /nfs/dbraw/zinc/45/63/29/587456329.db2.gz RWRUFDNRKLFXBJ-QMMMGPOBSA-N -1 3 230.264 0.234 20 0 BCADHM COC(=O)CCN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828671254 587456345 /nfs/dbraw/zinc/45/63/45/587456345.db2.gz RWRUFDNRKLFXBJ-MRVPVSSYSA-N -1 3 230.264 0.234 20 0 BCADHM COC(=O)CCN1CCC[C@@H]1CNC(=O)[O-] ZINC000828674265 587456523 /nfs/dbraw/zinc/45/65/23/587456523.db2.gz AFXAZXAQSNBSFI-MRVPVSSYSA-N -1 3 230.264 0.282 20 0 BCADHM CC[C@@](C)(CC(=O)[O-])NCc1cnnn1C ZINC000828665615 587456542 /nfs/dbraw/zinc/45/65/42/587456542.db2.gz VHMAHSZLPUHLSB-JTQLQIEISA-N -1 3 226.280 0.548 20 0 BCADHM COC(=O)CCN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828676142 587457089 /nfs/dbraw/zinc/45/70/89/587457089.db2.gz VQALVCFZCRAWMS-MRVPVSSYSA-N -1 3 230.264 0.234 20 0 BCADHM O=C(Nc1ccn(CCF)n1)c1cnn[n-]1 ZINC000828846327 587465940 /nfs/dbraw/zinc/46/59/40/587465940.db2.gz VHIIXQJARXNKBE-UHFFFAOYSA-N -1 3 224.199 0.223 20 0 BCADHM O=C(Nc1ccn(CCF)n1)c1c[n-]nn1 ZINC000828846327 587465941 /nfs/dbraw/zinc/46/59/41/587465941.db2.gz VHIIXQJARXNKBE-UHFFFAOYSA-N -1 3 224.199 0.223 20 0 BCADHM O=C(Nc1ccn(CCF)n1)c1cn[n-]n1 ZINC000828846327 587465943 /nfs/dbraw/zinc/46/59/43/587465943.db2.gz VHIIXQJARXNKBE-UHFFFAOYSA-N -1 3 224.199 0.223 20 0 BCADHM COC[C@H](C)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828897185 587469296 /nfs/dbraw/zinc/46/92/96/587469296.db2.gz PVFYMBBOZRJGRO-DTWKUNHWSA-N -1 3 216.281 0.705 20 0 BCADHM COC[C@H](C)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000828896556 587469542 /nfs/dbraw/zinc/46/95/42/587469542.db2.gz KLWONBPWDWBYNS-DTWKUNHWSA-N -1 3 216.281 0.753 20 0 BCADHM COCCOC[C@H]1CCN(CCNC(=O)[O-])C1 ZINC000829002714 587478845 /nfs/dbraw/zinc/47/88/45/587478845.db2.gz XMQIENPQOHQABJ-JTQLQIEISA-N -1 3 246.307 0.239 20 0 BCADHM COCCOCCN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000829002003 587479040 /nfs/dbraw/zinc/47/90/40/587479040.db2.gz KAKOYNLQRPKBAK-SNVBAGLBSA-N -1 3 246.307 0.334 20 0 BCADHM CCCCN(C)CCNC(=O)[C@@H](C)CC(=O)[O-] ZINC000829380759 587494714 /nfs/dbraw/zinc/49/47/14/587494714.db2.gz BTSJUPNKOUGNOG-JTQLQIEISA-N -1 3 244.335 0.945 20 0 BCADHM CC[C@H](C)CN1C(C)=C([O-])N(C)S1(=O)=O ZINC000829558893 587503230 /nfs/dbraw/zinc/50/32/30/587503230.db2.gz CWKQWEBKRSAMGO-YUMQZZPRSA-N -1 3 234.321 0.440 20 0 BCADHM CCN(CC(=O)[O-])Cc1cc(=O)c(OC)co1 ZINC000829635334 587507199 /nfs/dbraw/zinc/50/71/99/587507199.db2.gz BYVAMMLQJSRGMR-UHFFFAOYSA-N -1 3 241.243 0.555 20 0 BCADHM CCOc1nnc(NC(=O)CN2CCCC2)[n-]1 ZINC000830399743 587549144 /nfs/dbraw/zinc/54/91/44/587549144.db2.gz KUKVUHCYWLMSFL-UHFFFAOYSA-N -1 3 239.279 0.238 20 0 BCADHM CCOc1nc(NC(=O)CN2CCCC2)n[n-]1 ZINC000830399743 587549145 /nfs/dbraw/zinc/54/91/45/587549145.db2.gz KUKVUHCYWLMSFL-UHFFFAOYSA-N -1 3 239.279 0.238 20 0 BCADHM CCOc1n[n-]c(NC(=O)CN2CCCC2)n1 ZINC000830399743 587549148 /nfs/dbraw/zinc/54/91/48/587549148.db2.gz KUKVUHCYWLMSFL-UHFFFAOYSA-N -1 3 239.279 0.238 20 0 BCADHM CCOc1nnc(NC(=O)c2ccn(C)c2)[n-]1 ZINC000830400294 587549232 /nfs/dbraw/zinc/54/92/32/587549232.db2.gz TXUXQJJRPXFSQP-UHFFFAOYSA-N -1 3 235.247 0.794 20 0 BCADHM CCOc1nc(NC(=O)c2ccn(C)c2)n[n-]1 ZINC000830400294 587549234 /nfs/dbraw/zinc/54/92/34/587549234.db2.gz TXUXQJJRPXFSQP-UHFFFAOYSA-N -1 3 235.247 0.794 20 0 BCADHM CCOc1n[n-]c(NC(=O)c2ccn(C)c2)n1 ZINC000830400294 587549237 /nfs/dbraw/zinc/54/92/37/587549237.db2.gz TXUXQJJRPXFSQP-UHFFFAOYSA-N -1 3 235.247 0.794 20 0 BCADHM CCOc1nnc(NC(=O)C2=COCC2)[n-]1 ZINC000830397469 587549311 /nfs/dbraw/zinc/54/93/11/587549311.db2.gz XTRQKKBFONKSGJ-UHFFFAOYSA-N -1 3 224.220 0.446 20 0 BCADHM CCOc1nc(NC(=O)C2=COCC2)n[n-]1 ZINC000830397469 587549312 /nfs/dbraw/zinc/54/93/12/587549312.db2.gz XTRQKKBFONKSGJ-UHFFFAOYSA-N -1 3 224.220 0.446 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2=COCC2)n1 ZINC000830397469 587549313 /nfs/dbraw/zinc/54/93/13/587549313.db2.gz XTRQKKBFONKSGJ-UHFFFAOYSA-N -1 3 224.220 0.446 20 0 BCADHM CCOc1nc(NC(=O)C2(CC)COC2)n[n-]1 ZINC000830399483 587549727 /nfs/dbraw/zinc/54/97/27/587549727.db2.gz IUEULWUFKDUPBV-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1nnc(NC(=O)C2(CC)COC2)[n-]1 ZINC000830399483 587549729 /nfs/dbraw/zinc/54/97/29/587549729.db2.gz IUEULWUFKDUPBV-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2(CC)COC2)n1 ZINC000830399483 587549730 /nfs/dbraw/zinc/54/97/30/587549730.db2.gz IUEULWUFKDUPBV-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM O=C([N-][C@H]1C[C@@H](O)C1)C(F)(F)C(F)F ZINC000830555349 587558176 /nfs/dbraw/zinc/55/81/76/587558176.db2.gz VLHCLHHDZJXQPN-ZXZARUISSA-N -1 3 215.146 0.526 20 0 BCADHM Cc1nn(C)cc1[C@@H](C)NCCN(C)C(=O)[O-] ZINC000830864591 587574634 /nfs/dbraw/zinc/57/46/34/587574634.db2.gz HJYFTQFHRZIYAH-MRVPVSSYSA-N -1 3 240.307 0.989 20 0 BCADHM Cn1nccc1CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000831058379 587584159 /nfs/dbraw/zinc/58/41/59/587584159.db2.gz GEZJVPACTYFGBD-MRVPVSSYSA-N -1 3 224.264 0.262 20 0 BCADHM COC(=O)/C(C)=C/CN1CCC[C@H](C(=O)[O-])C1 ZINC000831053782 587584356 /nfs/dbraw/zinc/58/43/56/587584356.db2.gz UUSODPHOBPVZOS-CYNRKNSPSA-N -1 3 241.287 0.902 20 0 BCADHM COC(=O)/C(C)=C\CN1CCC[C@@H](C(=O)[O-])C1 ZINC000831053783 587584394 /nfs/dbraw/zinc/58/43/94/587584394.db2.gz UUSODPHOBPVZOS-HYHWUIIZSA-N -1 3 241.287 0.902 20 0 BCADHM C[C@H](O)CCN(C)C(=O)c1ccc(N)cc1[O-] ZINC000831230595 587593181 /nfs/dbraw/zinc/59/31/81/587593181.db2.gz ZRDZFDFBRAEABF-QMMMGPOBSA-N -1 3 238.287 0.817 20 0 BCADHM CCCON=C([O-])Nc1cnn(CCOC)c1 ZINC000831330512 587598993 /nfs/dbraw/zinc/59/89/93/587598993.db2.gz FDLGBIANOIAABE-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM CCCO[N-]C(=O)Nc1cnn(CCOC)c1 ZINC000831330512 587598994 /nfs/dbraw/zinc/59/89/94/587598994.db2.gz FDLGBIANOIAABE-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM CC[C@@H](C[C@@H](C)O)NC(=O)c1cc(=O)[n-]cn1 ZINC000831334789 587599468 /nfs/dbraw/zinc/59/94/68/587599468.db2.gz PRFMWCZLNYIWAD-SFYZADRCSA-N -1 3 239.275 0.462 20 0 BCADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCNC1=O ZINC000831395441 587603060 /nfs/dbraw/zinc/60/30/60/587603060.db2.gz VGYDTKYAVVRMEX-ZCFIWIBFSA-N -1 3 238.218 0.606 20 0 BCADHM CCOC(=O)[C@@H](CO)[N-]C(=O)C(F)(F)CC ZINC000831519495 587615841 /nfs/dbraw/zinc/61/58/41/587615841.db2.gz NLWVTENFPWLJOO-ZCFIWIBFSA-N -1 3 239.218 0.072 20 0 BCADHM CCCON=C([O-])Nc1nc(C)no1 ZINC000831622110 587624807 /nfs/dbraw/zinc/62/48/07/587624807.db2.gz WENINZPGRUHUPM-UHFFFAOYSA-N -1 3 200.198 0.841 20 0 BCADHM CCCO[N-]C(=O)Nc1nc(C)no1 ZINC000831622110 587624809 /nfs/dbraw/zinc/62/48/09/587624809.db2.gz WENINZPGRUHUPM-UHFFFAOYSA-N -1 3 200.198 0.841 20 0 BCADHM NC(=O)CO[N-]C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000831651651 587626272 /nfs/dbraw/zinc/62/62/72/587626272.db2.gz IHTQXEHDZRBBKI-IUCAKERBSA-N -1 3 240.303 0.736 20 0 BCADHM CON(C)C(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000831836779 587633745 /nfs/dbraw/zinc/63/37/45/587633745.db2.gz NCCRGISXMOXDHC-VIFPVBQESA-N -1 3 244.291 0.335 20 0 BCADHM O=C([O-])N1CC[C@@H](NC[C@H](O)c2ccco2)C1 ZINC000831953385 587638325 /nfs/dbraw/zinc/63/83/25/587638325.db2.gz IUOHHHDBGXFLLD-BDAKNGLRSA-N -1 3 240.259 0.655 20 0 BCADHM COCCCOCCC(=O)[N-]OCC(F)F ZINC000832185661 587649417 /nfs/dbraw/zinc/64/94/17/587649417.db2.gz KFKXEOTXWXZGJT-UHFFFAOYSA-N -1 3 241.234 0.743 20 0 BCADHM O=C([O-])N[C@H]1CCN(CCCCCCO)C1 ZINC000832386853 587657352 /nfs/dbraw/zinc/65/73/52/587657352.db2.gz PGCDSHHFURPPLX-JTQLQIEISA-N -1 3 230.308 0.881 20 0 BCADHM O=C([O-])NC[C@H]1CCCN1CCCCO ZINC000832572366 587667452 /nfs/dbraw/zinc/66/74/52/587667452.db2.gz BPVUZQCQLJBIGE-SECBINFHSA-N -1 3 216.281 0.491 20 0 BCADHM Cn1cc(C(=O)C[N-]C(=O)C(C)(F)F)cn1 ZINC000832602524 587668753 /nfs/dbraw/zinc/66/87/53/587668753.db2.gz JOOVERSDYYYUEU-UHFFFAOYSA-N -1 3 231.202 0.374 20 0 BCADHM O=C([O-])NCCN1CCS[C@H]2COCC[C@H]21 ZINC000832641693 587672089 /nfs/dbraw/zinc/67/20/89/587672089.db2.gz FXKZVQUBHPWDAR-BDAKNGLRSA-N -1 3 246.332 0.460 20 0 BCADHM O=C([O-])NCCN1CCC(C2OCCO2)CC1 ZINC000832641907 587672297 /nfs/dbraw/zinc/67/22/97/587672297.db2.gz NMQDKISDPSHCID-UHFFFAOYSA-N -1 3 244.291 0.339 20 0 BCADHM O=C([O-])NCCN1CCS[C@H]2COCC[C@@H]21 ZINC000832641695 587672526 /nfs/dbraw/zinc/67/25/26/587672526.db2.gz FXKZVQUBHPWDAR-IUCAKERBSA-N -1 3 246.332 0.460 20 0 BCADHM Cc1ncc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)cn1 ZINC000833008617 587697292 /nfs/dbraw/zinc/69/72/92/587697292.db2.gz MODOEKIXPUWRDZ-KCJUWKMLSA-N -1 3 235.287 0.938 20 0 BCADHM O=C([O-])[C@@]1(F)CCN(C[C@H]2CCCOC2)C1 ZINC000833174912 587700715 /nfs/dbraw/zinc/70/07/15/587700715.db2.gz KOYGDDUJIYBQQA-MWLCHTKSSA-N -1 3 231.267 0.912 20 0 BCADHM O=C([O-])[C@@]1(F)CCN(CC2(O)CCC2)C1 ZINC000833174595 587701096 /nfs/dbraw/zinc/70/10/96/587701096.db2.gz HPMXQFXDWYCCLE-SNVBAGLBSA-N -1 3 217.240 0.400 20 0 BCADHM C/C(=C\CN1CCc2cn[nH]c2C1)C(=O)[O-] ZINC000833381386 587712010 /nfs/dbraw/zinc/71/20/10/587712010.db2.gz APHDGECXJBRBFB-KRXBUXKQSA-N -1 3 221.260 0.799 20 0 BCADHM C/C(=C\CN(C)CCNC(=O)C(C)C)C(=O)[O-] ZINC000833383463 587712238 /nfs/dbraw/zinc/71/22/38/587712238.db2.gz NVPMCVHQECKWQP-BJMVGYQFSA-N -1 3 242.319 0.721 20 0 BCADHM CC(C)N(CCC(=O)[O-])Cn1cnnc1 ZINC000833498695 587717716 /nfs/dbraw/zinc/71/77/16/587717716.db2.gz VDKPCCAYUBJRIO-UHFFFAOYSA-N -1 3 212.253 0.421 20 0 BCADHM C[C@H](O)[C@H]1CCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833530526 587719184 /nfs/dbraw/zinc/71/91/84/587719184.db2.gz VJBAXOIOYSEYON-WPRPVWTQSA-N -1 3 238.287 0.916 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN2CC[C@H](O)C2)O1 ZINC000833577001 587720992 /nfs/dbraw/zinc/72/09/92/587720992.db2.gz DSAFZZGDWMVCLQ-IUCAKERBSA-N -1 3 227.260 0.201 20 0 BCADHM C[C@@]1(O)CCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833572177 587721100 /nfs/dbraw/zinc/72/11/00/587721100.db2.gz RKIASVWASAJOLT-LLVKDONJSA-N -1 3 224.260 0.670 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2C[C@H](O)[C@@H](C)C2)O1 ZINC000833585508 587721504 /nfs/dbraw/zinc/72/15/04/587721504.db2.gz XMUNACALWKTJGL-NMLBEHRDSA-N -1 3 241.287 0.447 20 0 BCADHM C[C@H]1CC[C@@H](NCc2cn(CC(=O)[O-])nn2)C1 ZINC000833603417 587723168 /nfs/dbraw/zinc/72/31/68/587723168.db2.gz KXBBCZNANBEKJS-DTWKUNHWSA-N -1 3 238.291 0.641 20 0 BCADHM C[C@@H]1CN(CC2OCCO2)C[C@@H]1C(=O)[O-] ZINC000833625092 587724692 /nfs/dbraw/zinc/72/46/92/587724692.db2.gz WDJNTUROMHFGRZ-SFYZADRCSA-N -1 3 215.249 0.012 20 0 BCADHM C[C@@H]1CN(CCC(=O)[O-])CCN1CCF ZINC000833629430 587724755 /nfs/dbraw/zinc/72/47/55/587724755.db2.gz WDWCPFPNRHITLW-SECBINFHSA-N -1 3 218.272 0.437 20 0 BCADHM C[C@H]1CN(CC2OCCO2)C[C@@H]1C(=O)[O-] ZINC000833625093 587725049 /nfs/dbraw/zinc/72/50/49/587725049.db2.gz WDJNTUROMHFGRZ-YUMQZZPRSA-N -1 3 215.249 0.012 20 0 BCADHM NC(=O)c1ccc(CN[C@@H](C(=O)[O-])C2CC2)o1 ZINC000833762104 587730763 /nfs/dbraw/zinc/73/07/63/587730763.db2.gz DOYDQSSAYNHESY-SECBINFHSA-N -1 3 238.243 0.331 20 0 BCADHM O=C([O-])c1cc(CN2CCc3cn[nH]c3C2)c[nH]1 ZINC000833778622 587731269 /nfs/dbraw/zinc/73/12/69/587731269.db2.gz CXFXBXJVMSVKTB-UHFFFAOYSA-N -1 3 246.270 0.994 20 0 BCADHM COCC1(N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833881896 587738264 /nfs/dbraw/zinc/73/82/64/587738264.db2.gz JVUNSUGOFVOUDL-QMMMGPOBSA-N -1 3 214.265 0.507 20 0 BCADHM Cn1nccc1CNC[C@H](NC(=O)[O-])C1CC1 ZINC000833963294 587740398 /nfs/dbraw/zinc/74/03/98/587740398.db2.gz LPODHRXNZSKMMG-JTQLQIEISA-N -1 3 238.291 0.556 20 0 BCADHM O=C([O-])N(CCNC1CSC1)C1CC1 ZINC000834062207 587743483 /nfs/dbraw/zinc/74/34/83/587743483.db2.gz HFGMMHOLNXZSCM-UHFFFAOYSA-N -1 3 216.306 0.834 20 0 BCADHM O=C([O-])N1CC(CNCc2cn[nH]c2)C1 ZINC000834068728 587743974 /nfs/dbraw/zinc/74/39/74/587743974.db2.gz ISPQIIWRFISMQR-UHFFFAOYSA-N -1 3 210.237 0.109 20 0 BCADHM O=C([O-])N1CC[C@@H](CNCc2ncc[nH]2)C1 ZINC000834078516 587744449 /nfs/dbraw/zinc/74/44/49/587744449.db2.gz QUMNGVGDXBJLDT-QMMMGPOBSA-N -1 3 224.264 0.499 20 0 BCADHM O=C([O-])N1CC[C@@H](N(CCCO)C2CC2)C1 ZINC000834084468 587744618 /nfs/dbraw/zinc/74/46/18/587744618.db2.gz UCHMSLJXNJLNMP-SNVBAGLBSA-N -1 3 228.292 0.586 20 0 BCADHM O=C([O-])N1CC[C@@H](N(CCO)C2CC2)C1 ZINC000834084549 587744929 /nfs/dbraw/zinc/74/49/29/587744929.db2.gz VFPGKEYMFAESBF-SECBINFHSA-N -1 3 214.265 0.195 20 0 BCADHM O=C([O-])N1CCCN(CC2(O)CCCC2)CC1 ZINC000834110851 587746294 /nfs/dbraw/zinc/74/62/94/587746294.db2.gz WFKDFYPTYDLLFZ-UHFFFAOYSA-N -1 3 242.319 0.977 20 0 BCADHM O=C(CC1CSC1)[N-]OC1CCOCC1 ZINC000867492243 587748542 /nfs/dbraw/zinc/74/85/42/587748542.db2.gz ACLNHWSZUXNVIJ-UHFFFAOYSA-N -1 3 231.317 0.966 20 0 BCADHM O=C(CCCF)[N-]OC[C@@H]1CCOC1 ZINC000834294159 587750547 /nfs/dbraw/zinc/75/05/47/587750547.db2.gz ITIKNDQRXGOZAW-MRVPVSSYSA-N -1 3 205.229 0.820 20 0 BCADHM CN(C)C1(C(=O)[N-]OCC(C)(C)O)CCC1 ZINC000834621448 587761215 /nfs/dbraw/zinc/76/12/15/587761215.db2.gz FIOFXDYWKAEAGE-UHFFFAOYSA-N -1 3 230.308 0.289 20 0 BCADHM Cc1nc[nH]c1CC(=O)[N-]OCC(C)(C)O ZINC000834621375 587761305 /nfs/dbraw/zinc/76/13/05/587761305.db2.gz CSTSQUMLWCBSPG-UHFFFAOYSA-N -1 3 227.264 0.079 20 0 BCADHM Cc1[nH]cnc1CC(=O)[N-]OCC(C)(C)O ZINC000834621375 587761306 /nfs/dbraw/zinc/76/13/06/587761306.db2.gz CSTSQUMLWCBSPG-UHFFFAOYSA-N -1 3 227.264 0.079 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C[C@@H]1CCCC[C@H]1O ZINC000834622116 587761402 /nfs/dbraw/zinc/76/14/02/587761402.db2.gz PJFKLKJMMBGYOA-VHSXEESVSA-N -1 3 245.319 0.746 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1cnccn1 ZINC000834621898 587761421 /nfs/dbraw/zinc/76/14/21/587761421.db2.gz LZLASUOLHOVGLN-UHFFFAOYSA-N -1 3 239.275 0.228 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCCn1cccn1 ZINC000834624842 587761630 /nfs/dbraw/zinc/76/16/30/587761630.db2.gz PMHJYCZJAULIJR-UHFFFAOYSA-N -1 3 241.291 0.482 20 0 BCADHM O=CN1CCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000834781174 587766898 /nfs/dbraw/zinc/76/68/98/587766898.db2.gz CLBKMQOHVLAEGO-JTQLQIEISA-N -1 3 249.270 0.024 20 0 BCADHM CC[C@H](C(=O)[N-]OC(C)(C)CO)N(C)C ZINC000836804501 587837922 /nfs/dbraw/zinc/83/79/22/587837922.db2.gz ATMLVTVAJJHNAS-MRVPVSSYSA-N -1 3 218.297 0.145 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C[C@@H]1CCCC[C@H]1O ZINC000836805186 587837952 /nfs/dbraw/zinc/83/79/52/587837952.db2.gz DBBOPKUBQVAWDT-VHSXEESVSA-N -1 3 245.319 0.746 20 0 BCADHM COCCC(C)(C)C(=O)[N-]OC(C)(C)CO ZINC000836805125 587838013 /nfs/dbraw/zinc/83/80/13/587838013.db2.gz APFZSLJDASDRNR-UHFFFAOYSA-N -1 3 233.308 0.868 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1CCCN1C1CC1 ZINC000836806431 587838331 /nfs/dbraw/zinc/83/83/31/587838331.db2.gz VIFRAQZYXUJBBK-SNVBAGLBSA-N -1 3 242.319 0.432 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C[C@@](C)(O)C1CC1 ZINC000836894313 587841953 /nfs/dbraw/zinc/84/19/53/587841953.db2.gz PYNNYOKIQITQDZ-ZYHUDNBSSA-N -1 3 245.319 0.602 20 0 BCADHM COCCCC(=O)[N-]O[C@H](CO)C(C)C ZINC000836899442 587842449 /nfs/dbraw/zinc/84/24/49/587842449.db2.gz HWEINIFVRNWKDF-SECBINFHSA-N -1 3 219.281 0.478 20 0 BCADHM CCO[C@@H]1COC[C@H]1[N-]C(=O)C(F)F ZINC000837092106 587853001 /nfs/dbraw/zinc/85/30/01/587853001.db2.gz HEGFYRKFXGMTQG-PHDIDXHHSA-N -1 3 209.192 0.172 20 0 BCADHM CC(C)CCCCC(=O)[N-]OCC(N)=O ZINC000837511449 587878697 /nfs/dbraw/zinc/87/86/97/587878697.db2.gz QPNGEHKSPLSCFB-UHFFFAOYSA-N -1 3 216.281 0.736 20 0 BCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)CC(C)(C)C)C(=O)O1 ZINC000841526456 587957586 /nfs/dbraw/zinc/95/75/86/587957586.db2.gz YKBVWLCSWMENJG-HTQZYQBOSA-N -1 3 249.332 0.656 20 0 BCADHM C[C@H]1C[C@H]([N-]S(=O)(=O)CCC2CC2)C(=O)O1 ZINC000841521843 587957615 /nfs/dbraw/zinc/95/76/15/587957615.db2.gz GNLATDXFDSOJFN-CBAPKCEASA-N -1 3 247.316 0.410 20 0 BCADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)CC(C)(C)C)C(=O)O1 ZINC000841526457 587957677 /nfs/dbraw/zinc/95/76/77/587957677.db2.gz YKBVWLCSWMENJG-JGVFFNPUSA-N -1 3 249.332 0.656 20 0 BCADHM CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)CC1CC1 ZINC000841533115 587958009 /nfs/dbraw/zinc/95/80/09/587958009.db2.gz BUISCSGRLCIOAQ-MRVPVSSYSA-N -1 3 247.316 0.267 20 0 BCADHM CON(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104822588 588041321 /nfs/dbraw/zinc/04/13/21/588041321.db2.gz GZVOGQOUBYXKDY-UHFFFAOYSA-N -1 3 234.211 0.204 20 0 BCADHM C[C@@](O)(c1nc(-c2cc(=O)[n-]cn2)no1)C1CC1 ZINC000843027092 588075193 /nfs/dbraw/zinc/07/51/93/588075193.db2.gz VLZPKMVDUMVESG-NSHDSACASA-N -1 3 248.242 0.850 20 0 BCADHM CC(C)(O)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000843027022 588075510 /nfs/dbraw/zinc/07/55/10/588075510.db2.gz UBOZVBMVQNWXOK-UHFFFAOYSA-N -1 3 222.204 0.460 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2ccc(N)cc2[O-])CO1 ZINC000843514108 588118115 /nfs/dbraw/zinc/11/81/15/588118115.db2.gz SMQJBCBNQNWQNZ-APPZFPTMSA-N -1 3 236.271 0.882 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2ccc(N)cc2[O-])CO1 ZINC000843514112 588118231 /nfs/dbraw/zinc/11/82/31/588118231.db2.gz SMQJBCBNQNWQNZ-VXNVDRBHSA-N -1 3 236.271 0.882 20 0 BCADHM O=C([N-]OCC(F)(F)F)[C@@H]1CCC(=O)C1 ZINC000843828509 588143334 /nfs/dbraw/zinc/14/33/34/588143334.db2.gz UUWMIKSTBRWMPP-RXMQYKEDSA-N -1 3 225.166 0.966 20 0 BCADHM COc1nc(NC(=O)C2(F)CC2)n[n-]1 ZINC000843844939 588144048 /nfs/dbraw/zinc/14/40/48/588144048.db2.gz BFKCSNAVQOATKW-UHFFFAOYSA-N -1 3 200.173 0.254 20 0 BCADHM COc1nnc(NC(=O)C2(F)CC2)[n-]1 ZINC000843844939 588144050 /nfs/dbraw/zinc/14/40/50/588144050.db2.gz BFKCSNAVQOATKW-UHFFFAOYSA-N -1 3 200.173 0.254 20 0 BCADHM COc1n[n-]c(NC(=O)C2(F)CC2)n1 ZINC000843844939 588144051 /nfs/dbraw/zinc/14/40/51/588144051.db2.gz BFKCSNAVQOATKW-UHFFFAOYSA-N -1 3 200.173 0.254 20 0 BCADHM O=C([N-]OCC(F)F)[C@@H]1CCC(=O)C1 ZINC000843855022 588145393 /nfs/dbraw/zinc/14/53/93/588145393.db2.gz ZQULFBKTWQOHRB-RXMQYKEDSA-N -1 3 207.176 0.669 20 0 BCADHM O=C(NCc1ncccc1[O-])C1(F)CC1 ZINC000843873552 588146885 /nfs/dbraw/zinc/14/68/85/588146885.db2.gz PJRHBNSMQZWNHP-UHFFFAOYSA-N -1 3 210.208 0.906 20 0 BCADHM CCCO[N-]C(=O)CCC(=O)N1CCOCC1 ZINC000844079767 588161208 /nfs/dbraw/zinc/16/12/08/588161208.db2.gz KNEUBYDPCLDLDH-UHFFFAOYSA-N -1 3 244.291 0.083 20 0 BCADHM CCCO[N-]C(=O)CCSc1nnnn1C ZINC000844083580 588162859 /nfs/dbraw/zinc/16/28/59/588162859.db2.gz OPAKWYREQZOECH-UHFFFAOYSA-N -1 3 245.308 0.150 20 0 BCADHM CCCO[N-]C(=O)CCCC(=O)NC ZINC000844084904 588163160 /nfs/dbraw/zinc/16/31/60/588163160.db2.gz DOZOPTJSKRTHHQ-UHFFFAOYSA-N -1 3 202.254 0.361 20 0 BCADHM CCCO[N-]C(=O)C[C@](C)(O)C1CC1 ZINC000844086515 588164448 /nfs/dbraw/zinc/16/44/48/588164448.db2.gz RSELYCDJIFSEKC-JTQLQIEISA-N -1 3 201.266 0.995 20 0 BCADHM O=C([N-]OCC(F)F)[C@@H]1CCc2cncn2C1 ZINC000844137828 588170021 /nfs/dbraw/zinc/17/00/21/588170021.db2.gz AVOZYLFMRMZKLW-SSDOTTSWSA-N -1 3 245.229 0.758 20 0 BCADHM COC(=O)CCCO[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC000844143025 588170311 /nfs/dbraw/zinc/17/03/11/588170311.db2.gz JBRABEVBHZBWNB-MRVPVSSYSA-N -1 3 243.259 0.357 20 0 BCADHM CCn1c(=O)[n-]nc1S[C@H]1CCOC1=O ZINC000844261608 588177674 /nfs/dbraw/zinc/17/76/74/588177674.db2.gz HCHWXGLJOBASAL-YFKPBYRVSA-N -1 3 229.261 0.411 20 0 BCADHM O=C([N-][C@@H]1C[C@@H]2CCCCN2C1=O)C(F)F ZINC000844558928 588202291 /nfs/dbraw/zinc/20/22/91/588202291.db2.gz DLUKTZKZTKJVAF-NKWVEPMBSA-N -1 3 232.230 0.521 20 0 BCADHM CC(C)C[C@@H](NC(=O)[C@]1(F)CCNC1)C(=O)[O-] ZINC000844932296 588219540 /nfs/dbraw/zinc/21/95/40/588219540.db2.gz RZLHMALIHMPOOM-KCJUWKMLSA-N -1 3 246.282 0.304 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)[C@]1(F)CCNC1)C(=O)[O-] ZINC000844932551 588219569 /nfs/dbraw/zinc/21/95/69/588219569.db2.gz JLFSXPPJQHDYBM-LAEOZQHASA-N -1 3 246.282 0.304 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)[C@@]1(F)CCNC1)C(=O)[O-] ZINC000844932550 588219608 /nfs/dbraw/zinc/21/96/08/588219608.db2.gz JLFSXPPJQHDYBM-DKCNOQQISA-N -1 3 246.282 0.304 20 0 BCADHM O=C(OCc1cc2n(n1)CCCC2)c1cnn[n-]1 ZINC000845166611 588222917 /nfs/dbraw/zinc/22/29/17/588222917.db2.gz OLZJNPYOTKOUQQ-UHFFFAOYSA-N -1 3 247.258 0.695 20 0 BCADHM O=C(OCc1cc2n(n1)CCCC2)c1c[n-]nn1 ZINC000845166611 588222918 /nfs/dbraw/zinc/22/29/18/588222918.db2.gz OLZJNPYOTKOUQQ-UHFFFAOYSA-N -1 3 247.258 0.695 20 0 BCADHM O=C(OCCC1CC1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845371396 588228369 /nfs/dbraw/zinc/22/83/69/588228369.db2.gz DNPPLBIJYSCTLP-MRVPVSSYSA-N -1 3 233.289 0.021 20 0 BCADHM CC/C=C/CCOC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845376212 588228410 /nfs/dbraw/zinc/22/84/10/588228410.db2.gz QMPLRQFGZQZNRD-NWALNABHSA-N -1 3 247.316 0.578 20 0 BCADHM CC(C)CCOC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845369683 588228497 /nfs/dbraw/zinc/22/84/97/588228497.db2.gz SMOCYRYLTAQCDE-QMMMGPOBSA-N -1 3 235.305 0.267 20 0 BCADHM C[C@@H]1CC[C@@H](OC(=O)[C@H]2CCS(=O)(=O)[N-]2)C1 ZINC000845376534 588228503 /nfs/dbraw/zinc/22/85/03/588228503.db2.gz RKZOFCKYCFYMEE-IWSPIJDZSA-N -1 3 247.316 0.410 20 0 BCADHM C[C@H](COC(=O)[C@@H]1CCS(=O)(=O)[N-]1)C1CC1 ZINC000845544355 588232868 /nfs/dbraw/zinc/23/28/68/588232868.db2.gz BADJRGIBTTYVNI-APPZFPTMSA-N -1 3 247.316 0.267 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2COCO2)o1 ZINC000867397402 588246546 /nfs/dbraw/zinc/24/65/46/588246546.db2.gz KQXANESBQHLWSC-MRVPVSSYSA-N -1 3 247.272 0.239 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc(F)nc1C ZINC000846084963 588255892 /nfs/dbraw/zinc/25/58/92/588255892.db2.gz GMVSFESPUDVHLI-UHFFFAOYSA-N -1 3 241.266 0.686 20 0 BCADHM COCCCO[N-]C(=O)/C=C(\C)COC ZINC000846141194 588258362 /nfs/dbraw/zinc/25/83/62/588258362.db2.gz FVYYIEQLRFXHMF-VQHVLOKHSA-N -1 3 217.265 0.663 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C[C@H]1CCCO1 ZINC000846240228 588262150 /nfs/dbraw/zinc/26/21/50/588262150.db2.gz WZTZJSFYRGBRTN-MRVPVSSYSA-N -1 3 217.265 0.374 20 0 BCADHM CN1C(=O)N=CC1C(=O)[N-]OCC(F)F ZINC000867409396 588263202 /nfs/dbraw/zinc/26/32/02/588263202.db2.gz USGAIMIHHYIPCA-UHFFFAOYSA-N -1 3 221.163 0.052 20 0 BCADHM O=S(=O)([N-]C(CF)CF)N1CCCCC1 ZINC000885420980 588298115 /nfs/dbraw/zinc/29/81/15/588298115.db2.gz PYGFWWSGCHMBKR-UHFFFAOYSA-N -1 3 242.291 0.614 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)C[C@@H](C)OC ZINC000847019588 588302245 /nfs/dbraw/zinc/30/22/45/588302245.db2.gz VUOFCFZKZLVKQT-ZCFIWIBFSA-N -1 3 241.247 0.560 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)C[C@@H](C)OC ZINC000847019588 588302246 /nfs/dbraw/zinc/30/22/46/588302246.db2.gz VUOFCFZKZLVKQT-ZCFIWIBFSA-N -1 3 241.247 0.560 20 0 BCADHM O=CN1CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000847372661 588311716 /nfs/dbraw/zinc/31/17/16/588311716.db2.gz TVOFPLQAZGITBS-UHFFFAOYSA-N -1 3 248.282 0.697 20 0 BCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000847588356 588317992 /nfs/dbraw/zinc/31/79/92/588317992.db2.gz MIBQLMJCPVQKAJ-UHNVWZDZSA-N -1 3 240.181 0.108 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]OCC(F)(F)F)C1 ZINC000847589260 588318015 /nfs/dbraw/zinc/31/80/15/588318015.db2.gz XSEXMEQDMDAHBX-ZETCQYMHSA-N -1 3 240.225 0.938 20 0 BCADHM CCOCCO[N-]C(=O)C1NC(=O)N=C1C ZINC000847754341 588328895 /nfs/dbraw/zinc/32/88/95/588328895.db2.gz SQFIPEJDWDSAIS-UHFFFAOYSA-N -1 3 229.236 0.122 20 0 BCADHM C/C(=C\c1ccco1)C(=O)[N-]OCCO ZINC000847756696 588328999 /nfs/dbraw/zinc/32/89/99/588328999.db2.gz LSIPWGCJTQRERC-BQYQJAHWSA-N -1 3 211.217 0.723 20 0 BCADHM CCOCCO[N-]C(=O)CN1CC[C@@H](C)C1 ZINC000847754268 588329088 /nfs/dbraw/zinc/32/90/88/588329088.db2.gz QNUGBWHKQSINIP-SNVBAGLBSA-N -1 3 230.308 0.413 20 0 BCADHM O=C(O[C@H]1CNOC1)c1c([O-])cccc1F ZINC000848058604 588351464 /nfs/dbraw/zinc/35/14/64/588351464.db2.gz HDMZDCHXXBZGMM-LURJTMIESA-N -1 3 227.191 0.592 20 0 BCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)[N-]OCCC1CC1 ZINC000848129217 588359331 /nfs/dbraw/zinc/35/93/31/588359331.db2.gz PGNGSNKXKHZKRY-IUCAKERBSA-N -1 3 226.276 0.346 20 0 BCADHM COC(=O)C[C@@H](C)CC(=O)[N-]OC(C)(C)CO ZINC000848162515 588362542 /nfs/dbraw/zinc/36/25/42/588362542.db2.gz OMIRFTJGBQYMAA-QMMMGPOBSA-N -1 3 247.291 0.394 20 0 BCADHM CC1=NC(=O)NC1C(=O)[N-]O[C@H](CO)C(C)C ZINC000848196736 588365285 /nfs/dbraw/zinc/36/52/85/588365285.db2.gz QCMGDRXWVQVWMP-SSDOTTSWSA-N -1 3 243.263 0.102 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@]1(F)CCNC1 ZINC000849366354 588476104 /nfs/dbraw/zinc/47/61/04/588476104.db2.gz SRLIRTYNVKPZBT-XVKPBYJWSA-N -1 3 232.255 0.010 20 0 BCADHM Cc1nc(S(=O)(=O)[N-][C@@H]2C=CCC2)cn1C ZINC000849430290 588478627 /nfs/dbraw/zinc/47/86/27/588478627.db2.gz LHSWISKXKRORIV-SECBINFHSA-N -1 3 241.316 0.725 20 0 BCADHM CC(C)[C@@H](C)OC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000849659392 588484789 /nfs/dbraw/zinc/48/47/89/588484789.db2.gz HFJKPTZFLQLLES-SFYZADRCSA-N -1 3 242.275 0.562 20 0 BCADHM CC1(C)C[C@H](OC(=O)c2cnn[n-]2)CO1 ZINC000849776547 588496925 /nfs/dbraw/zinc/49/69/25/588496925.db2.gz MCKJGXGJGLGGTK-LURJTMIESA-N -1 3 211.221 0.529 20 0 BCADHM CC1(C)C[C@H](OC(=O)c2c[n-]nn2)CO1 ZINC000849776547 588496927 /nfs/dbraw/zinc/49/69/27/588496927.db2.gz MCKJGXGJGLGGTK-LURJTMIESA-N -1 3 211.221 0.529 20 0 BCADHM COc1cc(NC([O-])=NOCC(C)(C)O)[nH]n1 ZINC000861381517 589162294 /nfs/dbraw/zinc/16/22/94/589162294.db2.gz NVOHVKGIWUIFEY-UHFFFAOYSA-N -1 3 244.251 0.242 20 0 BCADHM COc1cc(NC(=O)[N-]OCC(C)(C)O)[nH]n1 ZINC000861381517 589162295 /nfs/dbraw/zinc/16/22/95/589162295.db2.gz NVOHVKGIWUIFEY-UHFFFAOYSA-N -1 3 244.251 0.242 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@@H]1COC(=O)C1 ZINC000861784495 589178172 /nfs/dbraw/zinc/17/81/72/589178172.db2.gz BCUBCPIGKHIHRG-QMMMGPOBSA-N -1 3 235.239 0.746 20 0 BCADHM C[C@H](C(=O)[N-]OCCC1CC1)[C@@H]1CCC(=O)N1 ZINC000861823242 589179589 /nfs/dbraw/zinc/17/95/89/589179589.db2.gz HCJLEFUIDXJMIO-WPRPVWTQSA-N -1 3 240.303 0.749 20 0 BCADHM CCC[C@@H](OCC)C(=O)[N-]OCCN(C)C ZINC000861858478 589180642 /nfs/dbraw/zinc/18/06/42/589180642.db2.gz SSTNIBDLWXYSQP-SNVBAGLBSA-N -1 3 232.324 0.801 20 0 BCADHM O=C(NC[C@@H]1COCO1)c1ccc2n[n-]nc2c1 ZINC000861966607 589185328 /nfs/dbraw/zinc/18/53/28/589185328.db2.gz SGOKIJXRIGFJBJ-MRVPVSSYSA-N -1 3 248.242 0.061 20 0 BCADHM Cc1cc(C(=O)NC[C@@H]2COCO2)ccc1[O-] ZINC000861975891 589187746 /nfs/dbraw/zinc/18/77/46/589187746.db2.gz VFWCYRKOLNVUAD-SNVBAGLBSA-N -1 3 237.255 0.803 20 0 BCADHM O=C(COCC(F)(F)F)[N-]N1CCOC1=O ZINC000862698330 589233131 /nfs/dbraw/zinc/23/31/31/589233131.db2.gz NLLDQIIYTUUIFH-UHFFFAOYSA-N -1 3 242.153 0.049 20 0 BCADHM O=C([N-]N1CCOC1=O)C1(C(F)(F)F)CC1 ZINC000862699625 589233557 /nfs/dbraw/zinc/23/35/57/589233557.db2.gz KWLMXAZIIBFERH-UHFFFAOYSA-N -1 3 238.165 0.812 20 0 BCADHM O=C([N-]N1CCOC1=O)[C@H]1CC1(F)F ZINC000862704723 589235066 /nfs/dbraw/zinc/23/50/66/589235066.db2.gz AKWRZDMIMVLNNF-SCSAIBSYSA-N -1 3 206.148 0.125 20 0 BCADHM O=C([N-][C@@H]1Cc2ccccc2NC1=O)C(F)F ZINC000862996900 589250780 /nfs/dbraw/zinc/25/07/80/589250780.db2.gz OYNNVRFXAZDQBV-MRVPVSSYSA-N -1 3 240.209 0.931 20 0 BCADHM CC(=O)[N-]OCCOC1CCOCC1 ZINC000863456185 589289514 /nfs/dbraw/zinc/28/95/14/589289514.db2.gz JQNVUFAPYQFJKC-UHFFFAOYSA-N -1 3 203.238 0.250 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H](C)C(=O)N(C)OC ZINC000863711816 589312495 /nfs/dbraw/zinc/31/24/95/589312495.db2.gz LCNDXDKGAWNYLE-ZCFIWIBFSA-N -1 3 238.234 0.556 20 0 BCADHM CN(CC(=O)[N-]OC[C@H]1CCOC1)C1CCC1 ZINC000863909157 589325211 /nfs/dbraw/zinc/32/52/11/589325211.db2.gz QRMVKYUZHJZKMX-JTQLQIEISA-N -1 3 242.319 0.555 20 0 BCADHM CN(CC(=O)[N-]OC[C@@H]1CCOC1)C1CCC1 ZINC000863909158 589325372 /nfs/dbraw/zinc/32/53/72/589325372.db2.gz QRMVKYUZHJZKMX-SNVBAGLBSA-N -1 3 242.319 0.555 20 0 BCADHM CC(C)OCCO[N-]C(=O)CCc1cn[nH]c1 ZINC000863919412 589326097 /nfs/dbraw/zinc/32/60/97/589326097.db2.gz ZBTUOTRTFUPJHH-UHFFFAOYSA-N -1 3 241.291 0.815 20 0 BCADHM COC(=O)c1cc([N-]C(=O)C(F)F)on1 ZINC000863947021 589328847 /nfs/dbraw/zinc/32/88/47/589328847.db2.gz IBNZVLJWMJOEIF-UHFFFAOYSA-N -1 3 220.131 0.665 20 0 BCADHM COCc1nnc([N-][C@@H](C)COC)o1 ZINC000863980766 589332341 /nfs/dbraw/zinc/33/23/41/589332341.db2.gz PIJKLEUYVXDETA-LURJTMIESA-N -1 3 201.226 0.663 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CC[C@@H]1C(=O)NOCC ZINC000864688762 589389852 /nfs/dbraw/zinc/38/98/52/589389852.db2.gz HAPQZQAGGXGJBR-OCAPTIKFSA-N -1 3 230.264 0.148 20 0 BCADHM CCO[N-]C(=O)[C@H]1CC[C@H]1C(=O)NOCC ZINC000864688762 589389854 /nfs/dbraw/zinc/38/98/54/589389854.db2.gz HAPQZQAGGXGJBR-OCAPTIKFSA-N -1 3 230.264 0.148 20 0 BCADHM CCO[C@@H]1COCC[C@@H]1CC(=O)[N-]OC ZINC000864749044 589392789 /nfs/dbraw/zinc/39/27/89/589392789.db2.gz UGHJAXOKWVINPF-RKDXNWHRSA-N -1 3 217.265 0.496 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCCC1CC1 ZINC000865367261 589427071 /nfs/dbraw/zinc/42/70/71/589427071.db2.gz SSEMODZDANUJIR-MRVPVSSYSA-N -1 3 246.332 0.584 20 0 BCADHM CC(F)(F)C(=O)[N-]CC(=O)N=S(C)(C)=O ZINC000866062138 589474318 /nfs/dbraw/zinc/47/43/18/589474318.db2.gz VQPPZKFONVBCAG-UHFFFAOYSA-N -1 3 242.247 0.012 20 0 BCADHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C(C)(C)C ZINC000866377939 589488917 /nfs/dbraw/zinc/48/89/17/589488917.db2.gz KXONRUZFVXBFBL-ZDUSSCGKSA-N -1 3 242.366 0.737 20 0 BCADHM C=C=CC[N-]S(=O)(=O)c1c(C)noc1C ZINC000867468628 589521763 /nfs/dbraw/zinc/52/17/63/589521763.db2.gz MEORCULLVXSSJN-UHFFFAOYSA-N -1 3 228.273 0.911 20 0 BCADHM CCOC1CC2(C[C@H]2C(=O)[N-]OCCO)C1 ZINC000867496299 589522667 /nfs/dbraw/zinc/52/26/67/589522667.db2.gz HCRPDCVFPHFIRB-YUCVTWSNSA-N -1 3 229.276 0.232 20 0 BCADHM C/C=C/C[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000867566003 589526042 /nfs/dbraw/zinc/52/60/42/589526042.db2.gz ZSCAUSKLIWLGOO-DIECRNLCSA-N -1 3 240.350 0.515 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCC(=O)O2)n1 ZINC000867898847 589539070 /nfs/dbraw/zinc/53/90/70/589539070.db2.gz SCPYHKZOGZUNOX-MRVPVSSYSA-N -1 3 236.227 0.740 20 0 BCADHM CSCCO[N-]C(=O)C1C=NC(=O)N1C ZINC000867925736 589539827 /nfs/dbraw/zinc/53/98/27/589539827.db2.gz GUEOPKDHPULSOS-UHFFFAOYSA-N -1 3 231.277 0.150 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@]12C[C@H]1CCCC2 ZINC000868427632 589557800 /nfs/dbraw/zinc/55/78/00/589557800.db2.gz HGXWRBJLQSFRGH-RDDDGLTNSA-N -1 3 246.274 0.971 20 0 BCADHM CCc1cccc(C(=O)N[C@H]2CCOC2=O)c1[O-] ZINC000869095302 589588052 /nfs/dbraw/zinc/58/80/52/589588052.db2.gz LEFMBXHOHKMWGF-JTQLQIEISA-N -1 3 249.266 1.000 20 0 BCADHM CN1C(=O)N=CC1C(=O)[N-]OCC1CCC1 ZINC000869305269 589597354 /nfs/dbraw/zinc/59/73/54/589597354.db2.gz FPQXOTBWCKVICA-UHFFFAOYSA-N -1 3 225.248 0.587 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1nccnc1C ZINC000869504911 589610191 /nfs/dbraw/zinc/61/01/91/589610191.db2.gz IYBCPOCWLBQXLG-UHFFFAOYSA-N -1 3 233.231 0.569 20 0 BCADHM O=C(OCCO)c1cn[n-]c1[C@@H]1CCCO1 ZINC000869900919 589636862 /nfs/dbraw/zinc/63/68/62/589636862.db2.gz IFJSLAKAJAIXDI-QMMMGPOBSA-N -1 3 226.232 0.410 20 0 BCADHM O=C(OCCO)c1c[n-]nc1[C@@H]1CCCO1 ZINC000869900919 589636863 /nfs/dbraw/zinc/63/68/63/589636863.db2.gz IFJSLAKAJAIXDI-QMMMGPOBSA-N -1 3 226.232 0.410 20 0 BCADHM C[C@@H](O)COC(=O)c1cn[n-]c1[C@H]1CCCO1 ZINC000869898408 589636937 /nfs/dbraw/zinc/63/69/37/589636937.db2.gz GXBVBZNDTNUHRL-VXNVDRBHSA-N -1 3 240.259 0.799 20 0 BCADHM C[C@@H](O)COC(=O)c1c[n-]nc1[C@H]1CCCO1 ZINC000869898408 589636938 /nfs/dbraw/zinc/63/69/38/589636938.db2.gz GXBVBZNDTNUHRL-VXNVDRBHSA-N -1 3 240.259 0.799 20 0 BCADHM CC(=O)[N-]OCc1ccc2oc(=O)n(C)c2c1 ZINC000871729712 589799964 /nfs/dbraw/zinc/79/99/64/589799964.db2.gz ZDCDYRGIDUXLCR-UHFFFAOYSA-N -1 3 236.227 0.699 20 0 BCADHM CCOC([O-])=NOCCc1ccnn1C ZINC000871757547 589806766 /nfs/dbraw/zinc/80/67/66/589806766.db2.gz FDECESGLJNSVCZ-UHFFFAOYSA-N -1 3 213.237 0.640 20 0 BCADHM CCOC(=O)[N-]OCCc1ccnn1C ZINC000871757547 589806768 /nfs/dbraw/zinc/80/67/68/589806768.db2.gz FDECESGLJNSVCZ-UHFFFAOYSA-N -1 3 213.237 0.640 20 0 BCADHM Cc1cnc(Cn2c([O-])c(C)oc2=O)o1 ZINC000871780350 589815804 /nfs/dbraw/zinc/81/58/04/589815804.db2.gz DMSPLHMNSZLXDE-LURJTMIESA-N -1 3 210.189 0.850 20 0 BCADHM CC[C@@H](C)NC(=O)Cn1c([O-])c(C)oc1=O ZINC000871781402 589816634 /nfs/dbraw/zinc/81/66/34/589816634.db2.gz DLUKUASLRLLRDH-RNFRBKRXSA-N -1 3 228.248 0.268 20 0 BCADHM Cc1oc(=O)n(CC(=O)NC(C)(C)C)c1[O-] ZINC000871781917 589816697 /nfs/dbraw/zinc/81/66/97/589816697.db2.gz JOIKLUJLKPAVMB-LURJTMIESA-N -1 3 228.248 0.268 20 0 BCADHM Cc1oc(=O)n(CC(=O)c2cccn2C)c1[O-] ZINC000871782454 589817084 /nfs/dbraw/zinc/81/70/84/589817084.db2.gz PQTLSNGOESWLCK-SSDOTTSWSA-N -1 3 236.227 0.575 20 0 BCADHM Cc1[n-]n(CC(C)(C)CO)c(=O)c1F ZINC000871958299 589844272 /nfs/dbraw/zinc/84/42/72/589844272.db2.gz BUDWTHISEUEEIY-SSDOTTSWSA-N -1 3 202.229 0.561 20 0 BCADHM C[C@H]1CCc2[n-]n(CCS(C)(=O)=O)c(=O)c21 ZINC000871950335 589840102 /nfs/dbraw/zinc/84/01/02/589840102.db2.gz AJAAMYUUXCUZSB-IONNQARKSA-N -1 3 244.316 0.275 20 0 BCADHM Cc1[n-]n([C@@H]2CCCOC2)c(=O)c1F ZINC000871957585 589843517 /nfs/dbraw/zinc/84/35/17/589843517.db2.gz IIBMKTALOWTYIU-SFYZADRCSA-N -1 3 200.213 0.722 20 0 BCADHM Cc1nc(Cl)cc(N2[N-]C(=O)CCC2=O)n1 ZINC000871955778 589843784 /nfs/dbraw/zinc/84/37/84/589843784.db2.gz DYXKDXZNYIKPNF-UHFFFAOYSA-N -1 3 240.650 0.596 20 0 BCADHM C[C@@H](N[C@@H]1COC[C@@H]1O)c1cccc([O-])c1F ZINC000872092034 589868473 /nfs/dbraw/zinc/86/84/73/589868473.db2.gz MHSYIIMLHCEVQP-ZOFUNIGCSA-N -1 3 241.262 0.942 20 0 BCADHM Cc1cc(=O)[n-]c(CN2C[C@@H]3COC[C@@H]3C2)n1 ZINC000872320293 589911674 /nfs/dbraw/zinc/91/16/74/589911674.db2.gz QBKPNVXAFJAQOA-AOOOYVTPSA-N -1 3 235.287 0.569 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CCC[C@@H](O)C1 ZINC000872386955 589929856 /nfs/dbraw/zinc/92/98/56/589929856.db2.gz AFJZHGHKJJGCAY-ZCFIWIBFSA-N -1 3 229.667 0.797 20 0 BCADHM C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872429777 589939138 /nfs/dbraw/zinc/93/91/38/589939138.db2.gz JTKJGKQEDFFQSO-LBPRGKRZSA-N -1 3 228.339 0.347 20 0 BCADHM COC1CN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872452326 589940438 /nfs/dbraw/zinc/94/04/38/589940438.db2.gz JUVWRDTZOGGOAE-UHFFFAOYSA-N -1 3 215.640 0.671 20 0 BCADHM CN1CC[C@H](Nc2cc(Cl)n[n-]c2=O)C1=O ZINC000872460239 589940920 /nfs/dbraw/zinc/94/09/20/589940920.db2.gz AKXFHSLIZAFPNH-YFKPBYRVSA-N -1 3 242.666 0.478 20 0 BCADHM COCCN(CCO)c1cc(Cl)n[n-]c1=O ZINC000872470759 589942729 /nfs/dbraw/zinc/94/27/29/589942729.db2.gz DBSYKGBMPJDWIN-UHFFFAOYSA-N -1 3 247.682 0.281 20 0 BCADHM O=c1[n-]nc(Cl)cc1NCCN1CCC1 ZINC000872490840 589944431 /nfs/dbraw/zinc/94/44/31/589944431.db2.gz LWVIAXSZYIAUKR-UHFFFAOYSA-N -1 3 228.683 0.953 20 0 BCADHM COC[C@H](O)CCNc1cc(Cl)n[n-]c1=O ZINC000872497622 589944720 /nfs/dbraw/zinc/94/47/20/589944720.db2.gz MHKLWVNDKSEACT-ZCFIWIBFSA-N -1 3 247.682 0.645 20 0 BCADHM CN1CN(c2cc(Cl)n[n-]c2=O)CC1=O ZINC000872502152 589945063 /nfs/dbraw/zinc/94/50/63/589945063.db2.gz ARWWIPHKBGTFHN-UHFFFAOYSA-N -1 3 228.639 0.072 20 0 BCADHM COC[C@@H](CNc1cc(Cl)n[n-]c1=O)OC ZINC000872505772 589945234 /nfs/dbraw/zinc/94/52/34/589945234.db2.gz AWDGMKROSDQJHS-ZCFIWIBFSA-N -1 3 247.682 0.909 20 0 BCADHM C[C@@H]1C[C@H](O)CN1c1cc(Cl)n[n-]c1=O ZINC000872519677 589946956 /nfs/dbraw/zinc/94/69/56/589946956.db2.gz LPDZFNNWQIDPGT-RITPCOANSA-N -1 3 229.667 0.795 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1c1cc(Cl)n[n-]c1=O ZINC000872519543 589947197 /nfs/dbraw/zinc/94/71/97/589947197.db2.gz LPDZFNNWQIDPGT-PHDIDXHHSA-N -1 3 229.667 0.795 20 0 BCADHM COCC1(O)CN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872561269 589951000 /nfs/dbraw/zinc/95/10/00/589951000.db2.gz QKPHPSHLCWFTJA-UHFFFAOYSA-N -1 3 245.666 0.033 20 0 BCADHM CNC(=O)C[C@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872564291 589952069 /nfs/dbraw/zinc/95/20/69/589952069.db2.gz SAOAFNNNAGSFGN-YFKPBYRVSA-N -1 3 244.682 0.772 20 0 BCADHM CNC(=O)NCCNc1cc(Cl)n[n-]c1=O ZINC000872572536 589953243 /nfs/dbraw/zinc/95/32/43/589953243.db2.gz MOXGXMUAXBAYPK-UHFFFAOYSA-N -1 3 245.670 0.177 20 0 BCADHM CO[C@@](C)(CO)CNc1cc(Cl)n[n-]c1=O ZINC000872589836 589954922 /nfs/dbraw/zinc/95/49/22/589954922.db2.gz YQBYRDNRPPZGQG-SECBINFHSA-N -1 3 247.682 0.645 20 0 BCADHM O=c1[n-]nc(Cl)cc1NCC=CCO ZINC000872596304 589954968 /nfs/dbraw/zinc/95/49/68/589954968.db2.gz DICIEMIJENBDFG-UPHRSURJSA-N -1 3 215.640 0.796 20 0 BCADHM C[C@@H](N)CNc1cc(Cl)[n-]c(=O)n1 ZINC000872775829 589968476 /nfs/dbraw/zinc/96/84/76/589968476.db2.gz USXSQIQZTWSWAB-SCSAIBSYSA-N -1 3 202.645 0.595 20 0 BCADHM Cc1cccc(C(=O)NCC[S@@](C)=O)c1[O-] ZINC000124288069 589973412 /nfs/dbraw/zinc/97/34/12/589973412.db2.gz BEUPBVFMJLKHGD-INIZCTEOSA-N -1 3 241.312 0.809 20 0 BCADHM Cc1ccc(C(=O)NCC[S@@](C)=O)c([O-])c1 ZINC000124284905 589973658 /nfs/dbraw/zinc/97/36/58/589973658.db2.gz MZIKWKNRMAJXMP-INIZCTEOSA-N -1 3 241.312 0.809 20 0 BCADHM COC(=O)[C@]1(F)CCN([C@H](C(=O)[O-])C2CC2)C1 ZINC000873643351 590066241 /nfs/dbraw/zinc/06/62/41/590066241.db2.gz HYBUGTJIDGCXFK-KWQFWETISA-N -1 3 245.250 0.437 20 0 BCADHM Cn1cc(CN2CCC[C@@H]2C(=O)[O-])cn1 ZINC000020315638 590097640 /nfs/dbraw/zinc/09/76/40/590097640.db2.gz NEVKRJCKDYEUQP-SECBINFHSA-N -1 3 209.249 0.469 20 0 BCADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ncccn1 ZINC000888695349 590185213 /nfs/dbraw/zinc/18/52/13/590185213.db2.gz XSRPZPNLUCTFCD-QMMMGPOBSA-N -1 3 238.247 0.566 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)Nc1ncccn1 ZINC000888695349 590185214 /nfs/dbraw/zinc/18/52/14/590185214.db2.gz XSRPZPNLUCTFCD-QMMMGPOBSA-N -1 3 238.247 0.566 20 0 BCADHM CCO[N-]C(=O)[C@H](N)Cc1cccc(OC)c1 ZINC000876706347 590232287 /nfs/dbraw/zinc/23/22/87/590232287.db2.gz OMVMRHFWPIRDTH-LLVKDONJSA-N -1 3 238.287 0.633 20 0 BCADHM CCO[N-]C(=O)CN[C@H](C)[C@@H]1CC1(F)F ZINC000877614040 590373616 /nfs/dbraw/zinc/37/36/16/590373616.db2.gz UDFMEKKWRDEFHW-RQJHMYQMSA-N -1 3 222.235 0.687 20 0 BCADHM CCO[N-]C(=O)CNCc1ccns1 ZINC000877613514 590373849 /nfs/dbraw/zinc/37/38/49/590373849.db2.gz KZBUNMGOCNURSB-UHFFFAOYSA-N -1 3 215.278 0.300 20 0 BCADHM c1cc(-c2nn[n-]n2)ccc1OCC1OCCO1 ZINC000095233325 598912357 /nfs/dbraw/zinc/91/23/57/598912357.db2.gz VAMJCAPHBCBJHT-UHFFFAOYSA-N -1 3 248.242 0.618 20 0 BCADHM O=C(COC1CC1)Nc1ncccc1[O-] ZINC000877981723 590464899 /nfs/dbraw/zinc/46/48/99/590464899.db2.gz WVIGFUUTBRKINK-UHFFFAOYSA-N -1 3 208.217 0.905 20 0 BCADHM C=C/C=C\CCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000878319718 590545612 /nfs/dbraw/zinc/54/56/12/590545612.db2.gz ZPYROSOOFVZKPD-XOULXFPDSA-N -1 3 235.287 0.355 20 0 BCADHM Cc1ncc([N-]C(=O)c2nnn(C)n2)s1 ZINC000879277628 590727683 /nfs/dbraw/zinc/72/76/83/590727683.db2.gz GCWXUEBMRVBTFG-UHFFFAOYSA-N -1 3 224.249 0.227 20 0 BCADHM CC1(C)CC[C@H](CC(=O)[N-]OCC(N)=O)OC1 ZINC000879379967 590757322 /nfs/dbraw/zinc/75/73/22/590757322.db2.gz INCUYYZBQQOMGG-MRVPVSSYSA-N -1 3 244.291 0.115 20 0 BCADHM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CCO)C1 ZINC000879766117 590865959 /nfs/dbraw/zinc/86/59/59/590865959.db2.gz UUWGCMBSPABFMP-MRVPVSSYSA-N -1 3 240.225 0.122 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CN1CCCC1 ZINC000888816236 591048159 /nfs/dbraw/zinc/04/81/59/591048159.db2.gz CCVNJJOLJOBNOQ-UHFFFAOYSA-N -1 3 244.291 0.083 20 0 BCADHM CC[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCOC1 ZINC000880470607 591051480 /nfs/dbraw/zinc/05/14/80/591051480.db2.gz PHUAHNJUACDLNT-BDAKNGLRSA-N -1 3 240.307 0.805 20 0 BCADHM O=C(CC1CC1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880516368 591083295 /nfs/dbraw/zinc/08/32/95/591083295.db2.gz SFAOGGUPTGYHAG-UHFFFAOYSA-N -1 3 239.300 0.887 20 0 BCADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)C1CC1 ZINC000880516236 591083664 /nfs/dbraw/zinc/08/36/64/591083664.db2.gz GSZSPOPEPRJPJL-UHFFFAOYSA-N -1 3 225.273 0.497 20 0 BCADHM Cn1cc(Cl)c(NC([O-])=NOCCO)n1 ZINC000881176512 591167202 /nfs/dbraw/zinc/16/72/02/591167202.db2.gz DJFJNNBJMAGBET-UHFFFAOYSA-N -1 3 234.643 0.119 20 0 BCADHM Cn1cc(Cl)c(NC(=O)[N-]OCCO)n1 ZINC000881176512 591167204 /nfs/dbraw/zinc/16/72/04/591167204.db2.gz DJFJNNBJMAGBET-UHFFFAOYSA-N -1 3 234.643 0.119 20 0 BCADHM COCCON=C([O-])Nc1cc(OC)nn1C ZINC000881243624 591175793 /nfs/dbraw/zinc/17/57/93/591175793.db2.gz BFUKAKUDCOZGQV-UHFFFAOYSA-N -1 3 244.251 0.128 20 0 BCADHM COCCO[N-]C(=O)Nc1cc(OC)nn1C ZINC000881243624 591175795 /nfs/dbraw/zinc/17/57/95/591175795.db2.gz BFUKAKUDCOZGQV-UHFFFAOYSA-N -1 3 244.251 0.128 20 0 BCADHM Cc1nn(C)cc1CN1CC[C@@H](C(=O)[O-])C1 ZINC000128982705 591200289 /nfs/dbraw/zinc/20/02/89/591200289.db2.gz RMBCLTJXFBLZSE-SECBINFHSA-N -1 3 223.276 0.635 20 0 BCADHM O=C(NC[C@@H]1C=CCC1)c1cc(=O)[n-]cn1 ZINC000881500519 591223454 /nfs/dbraw/zinc/22/34/54/591223454.db2.gz KXFHBPKIBGTYBH-MRVPVSSYSA-N -1 3 219.244 0.878 20 0 BCADHM CO[C@H]1C[C@H](CNC(=O)c2cc(=O)[n-]cn2)C1 ZINC000881579665 591247924 /nfs/dbraw/zinc/24/79/24/591247924.db2.gz PBRTYCIGGGYTCJ-ZKCHVHJHSA-N -1 3 237.259 0.337 20 0 BCADHM OC1(CCSCCc2nnn[n-]2)CC1 ZINC000882189941 591313391 /nfs/dbraw/zinc/31/33/91/591313391.db2.gz VIBRIPQINUFKER-UHFFFAOYSA-N -1 3 214.294 0.390 20 0 BCADHM OC1(CCSCCc2nn[n-]n2)CC1 ZINC000882189941 591313393 /nfs/dbraw/zinc/31/33/93/591313393.db2.gz VIBRIPQINUFKER-UHFFFAOYSA-N -1 3 214.294 0.390 20 0 BCADHM Cc1conc1CSCCc1nnn[n-]1 ZINC000882190774 591313954 /nfs/dbraw/zinc/31/39/54/591313954.db2.gz NLNBUBUUCNZTTK-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM Cc1conc1CSCCc1nn[n-]n1 ZINC000882190774 591313957 /nfs/dbraw/zinc/31/39/57/591313957.db2.gz NLNBUBUUCNZTTK-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM CC(=O)O[C@H](C)SCCc1nnn[n-]1 ZINC000882191096 591314520 /nfs/dbraw/zinc/31/45/20/591314520.db2.gz WMGRERRVIZZJDR-LURJTMIESA-N -1 3 216.266 0.385 20 0 BCADHM CC(=O)O[C@H](C)SCCc1nn[n-]n1 ZINC000882191096 591314525 /nfs/dbraw/zinc/31/45/25/591314525.db2.gz WMGRERRVIZZJDR-LURJTMIESA-N -1 3 216.266 0.385 20 0 BCADHM O=C1CC[C@@H](CSCCc2nnn[n-]2)O1 ZINC000882191022 591314594 /nfs/dbraw/zinc/31/45/94/591314594.db2.gz URCSRULMTAQELH-LURJTMIESA-N -1 3 228.277 0.181 20 0 BCADHM O=C1CC[C@@H](CSCCc2nn[n-]n2)O1 ZINC000882191022 591314597 /nfs/dbraw/zinc/31/45/97/591314597.db2.gz URCSRULMTAQELH-LURJTMIESA-N -1 3 228.277 0.181 20 0 BCADHM CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)C1CCC1 ZINC000882248300 591321145 /nfs/dbraw/zinc/32/11/45/591321145.db2.gz HTNZPOAIPWCPJD-MRVPVSSYSA-N -1 3 247.316 0.410 20 0 BCADHM CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)C1CCC1 ZINC000882248301 591321482 /nfs/dbraw/zinc/32/14/82/591321482.db2.gz HTNZPOAIPWCPJD-QMMMGPOBSA-N -1 3 247.316 0.410 20 0 BCADHM Cn1c(Cl)cnc1Cn1c([O-])coc1=O ZINC000882271912 591323221 /nfs/dbraw/zinc/32/32/21/591323221.db2.gz HNQKXCNFMLMAOH-UHFFFAOYSA-N -1 3 229.623 0.552 20 0 BCADHM CCCCCCNC(=O)Cn1c([O-])coc1=O ZINC000882273451 591324178 /nfs/dbraw/zinc/32/41/78/591324178.db2.gz ODQFADBOGLCYLQ-UHFFFAOYSA-N -1 3 242.275 0.662 20 0 BCADHM O=C(Cn1c([O-])coc1=O)N1CCCCCC1 ZINC000882272897 591324242 /nfs/dbraw/zinc/32/42/42/591324242.db2.gz ZECWUTHAHQDLOR-UHFFFAOYSA-N -1 3 240.259 0.368 20 0 BCADHM Cc1ccnc(Cn2c([O-])coc2=O)c1 ZINC000882275841 591324563 /nfs/dbraw/zinc/32/45/63/591324563.db2.gz CJQGPSFIOGHWCO-UHFFFAOYSA-N -1 3 206.201 0.869 20 0 BCADHM COc1nnc(NC(=O)C=Cc2cnn(C)c2)[n-]1 ZINC000129583029 591330426 /nfs/dbraw/zinc/33/04/26/591330426.db2.gz DQPNPTZNLUJFOQ-ONEGZZNKSA-N -1 3 248.246 0.199 20 0 BCADHM COc1nc(NC(=O)C=Cc2cnn(C)c2)n[n-]1 ZINC000129583029 591330429 /nfs/dbraw/zinc/33/04/29/591330429.db2.gz DQPNPTZNLUJFOQ-ONEGZZNKSA-N -1 3 248.246 0.199 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2cnn(C)c2)n1 ZINC000129583029 591330431 /nfs/dbraw/zinc/33/04/31/591330431.db2.gz DQPNPTZNLUJFOQ-ONEGZZNKSA-N -1 3 248.246 0.199 20 0 BCADHM O=Cc1cnc(NCCCc2c[n-][nH]c2=O)nc1 ZINC000882618771 591400551 /nfs/dbraw/zinc/40/05/51/591400551.db2.gz MDJDBDUJNWBUTE-SECBINFHSA-N -1 3 247.258 0.213 20 0 BCADHM Oc1[n-]c(N2CC[C@@H](CF)C2)nc2nncc1-2 ZINC000882842561 591453507 /nfs/dbraw/zinc/45/35/07/591453507.db2.gz ZMHDKYQBKCHXFC-LURJTMIESA-N -1 3 237.238 0.854 20 0 BCADHM CCOC([O-])=NOCCN1CCOC1=O ZINC000882995376 591498672 /nfs/dbraw/zinc/49/86/72/591498672.db2.gz VFXYHAJCCKXFND-UHFFFAOYSA-N -1 3 218.209 0.116 20 0 BCADHM CCOC(=O)[N-]OCCN1CCOC1=O ZINC000882995376 591498674 /nfs/dbraw/zinc/49/86/74/591498674.db2.gz VFXYHAJCCKXFND-UHFFFAOYSA-N -1 3 218.209 0.116 20 0 BCADHM CC(C)[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000735734563 598971609 /nfs/dbraw/zinc/97/16/09/598971609.db2.gz NULCGWGDGGXWDJ-VIFPVBQESA-N -1 3 248.290 0.691 20 0 BCADHM CC(C)[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000735734563 598971611 /nfs/dbraw/zinc/97/16/11/598971611.db2.gz NULCGWGDGGXWDJ-VIFPVBQESA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](CO)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095154976 598971747 /nfs/dbraw/zinc/97/17/47/598971747.db2.gz VWRQUFOXZYDNBJ-JGVFFNPUSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](CO)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095154976 598971749 /nfs/dbraw/zinc/97/17/49/598971749.db2.gz VWRQUFOXZYDNBJ-JGVFFNPUSA-N -1 3 248.290 0.691 20 0 BCADHM CC(C)[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000735734562 598971848 /nfs/dbraw/zinc/97/18/48/598971848.db2.gz NULCGWGDGGXWDJ-SECBINFHSA-N -1 3 248.290 0.691 20 0 BCADHM CC(C)[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000735734562 598971850 /nfs/dbraw/zinc/97/18/50/598971850.db2.gz NULCGWGDGGXWDJ-SECBINFHSA-N -1 3 248.290 0.691 20 0 BCADHM CCN1CCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000214374546 591554409 /nfs/dbraw/zinc/55/44/09/591554409.db2.gz GLDQQLYOLWFCPR-UHFFFAOYSA-N -1 3 249.314 0.752 20 0 BCADHM CC[C@H](CCO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095162739 598973239 /nfs/dbraw/zinc/97/32/39/598973239.db2.gz FEYWJLPAJJQNSO-SECBINFHSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@H](CCO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095162739 598973241 /nfs/dbraw/zinc/97/32/41/598973241.db2.gz FEYWJLPAJJQNSO-SECBINFHSA-N -1 3 248.290 0.835 20 0 BCADHM C/C(=C\CN1CCN(C)[C@@H](C)C1)C(=O)[O-] ZINC000214569042 591635749 /nfs/dbraw/zinc/63/57/49/591635749.db2.gz WXJGVWOGMHTNJW-LLGDCAAFSA-N -1 3 212.293 0.653 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CO[C@@H](C)C2)[n-]1 ZINC000132968765 591751192 /nfs/dbraw/zinc/75/11/92/591751192.db2.gz PZABVGQTQOVOPI-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CO[C@@H](C)C2)n[n-]1 ZINC000132968765 591751195 /nfs/dbraw/zinc/75/11/95/591751195.db2.gz PZABVGQTQOVOPI-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CO[C@@H](C)C2)n1 ZINC000132968765 591751196 /nfs/dbraw/zinc/75/11/96/591751196.db2.gz PZABVGQTQOVOPI-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM C/C(=C/CN(CC(N)=O)C1CCCC1)C(=O)[O-] ZINC000214749026 591781809 /nfs/dbraw/zinc/78/18/09/591781809.db2.gz IHXCZSZVTSHLDD-TWGQIWQCSA-N -1 3 240.303 0.747 20 0 BCADHM COc1nn(C)cc1C(=O)[N-]OC/C=C\Cl ZINC000883970619 591786321 /nfs/dbraw/zinc/78/63/21/591786321.db2.gz YMLHNNDEIIPYMA-ARJAWSKDSA-N -1 3 245.666 0.843 20 0 BCADHM COCCO[N-]C(=O)C[C@@H]1CCCO1 ZINC000133750887 591853547 /nfs/dbraw/zinc/85/35/47/591853547.db2.gz WKKPNNAEIYLCGD-QMMMGPOBSA-N -1 3 203.238 0.250 20 0 BCADHM N[C@H](CC1CC1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000884175326 591866256 /nfs/dbraw/zinc/86/62/56/591866256.db2.gz PRCWHIBSNXTUPW-NXEZZACHSA-N -1 3 228.292 0.688 20 0 BCADHM O=C(OC[C@H]1CC[C@H](C2CC2)O1)c1cnn[n-]1 ZINC000884507389 591959665 /nfs/dbraw/zinc/95/96/65/591959665.db2.gz BPRHADPIQIQEAZ-PSASIEDQSA-N -1 3 237.259 0.919 20 0 BCADHM O=C(OC[C@H]1CC[C@H](C2CC2)O1)c1c[n-]nn1 ZINC000884507389 591959668 /nfs/dbraw/zinc/95/96/68/591959668.db2.gz BPRHADPIQIQEAZ-PSASIEDQSA-N -1 3 237.259 0.919 20 0 BCADHM CCn1cc(CCOC(=O)c2cnn[n-]2)cn1 ZINC000884507845 591960274 /nfs/dbraw/zinc/96/02/74/591960274.db2.gz NVNZEANLEYUNPH-UHFFFAOYSA-N -1 3 235.247 0.421 20 0 BCADHM CCn1cc(CCOC(=O)c2c[n-]nn2)cn1 ZINC000884507845 591960276 /nfs/dbraw/zinc/96/02/76/591960276.db2.gz NVNZEANLEYUNPH-UHFFFAOYSA-N -1 3 235.247 0.421 20 0 BCADHM COc1ccc(NC([O-])=NOCC(N)=O)cc1 ZINC000135739279 592044005 /nfs/dbraw/zinc/04/40/05/592044005.db2.gz JDMUEIKISPYRQA-UHFFFAOYSA-N -1 3 239.231 0.234 20 0 BCADHM COc1ccc(NC(=O)[N-]OCC(N)=O)cc1 ZINC000135739279 592044008 /nfs/dbraw/zinc/04/40/08/592044008.db2.gz JDMUEIKISPYRQA-UHFFFAOYSA-N -1 3 239.231 0.234 20 0 BCADHM C[C@@H](CF)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000885414213 592076798 /nfs/dbraw/zinc/07/67/98/592076798.db2.gz UNJYAUXHBSAHON-LURJTMIESA-N -1 3 236.243 0.857 20 0 BCADHM Cc1n[nH]cc1S(=O)(=O)[N-]C(CF)CF ZINC000885418179 592077228 /nfs/dbraw/zinc/07/72/28/592077228.db2.gz LXWAKKTXWKKSMY-UHFFFAOYSA-N -1 3 239.247 0.304 20 0 BCADHM C[C@H]1CCN(S(=O)(=O)[N-]C(CF)CF)C1 ZINC000885416640 592077139 /nfs/dbraw/zinc/07/71/39/592077139.db2.gz IUPSBAAWXZFTPE-ZETCQYMHSA-N -1 3 242.291 0.470 20 0 BCADHM CC(C)CS(=O)(=O)[N-]C(CF)CF ZINC000885418564 592077317 /nfs/dbraw/zinc/07/73/17/592077317.db2.gz XXNJACPVHLOIIR-UHFFFAOYSA-N -1 3 215.265 0.869 20 0 BCADHM CCN(CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC000217796861 592149613 /nfs/dbraw/zinc/14/96/13/592149613.db2.gz XOJZCXODFABTMC-ZJUUUORDSA-N -1 3 240.303 0.308 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)C[C@@H]1C[C@@]12CCOC2 ZINC000886251608 592187246 /nfs/dbraw/zinc/18/72/46/592187246.db2.gz GWMMYLDQFRBUOR-GZMMTYOYSA-N -1 3 239.275 0.634 20 0 BCADHM C[C@@H]1CO[C@@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886271581 592192687 /nfs/dbraw/zinc/19/26/87/592192687.db2.gz NRCPUPBMTQYRHO-GZMMTYOYSA-N -1 3 236.271 0.828 20 0 BCADHM COC1(C(=O)NCc2cncc([O-])c2)CC1 ZINC000886272738 592192874 /nfs/dbraw/zinc/19/28/74/592192874.db2.gz AOWOSKKIKDAICX-UHFFFAOYSA-N -1 3 222.244 0.582 20 0 BCADHM Cn1ccc(CC(=O)NCc2cncc([O-])c2)n1 ZINC000886273292 592193268 /nfs/dbraw/zinc/19/32/68/592193268.db2.gz SXXHNNHDCLQPLR-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM CC[C@H](C(=O)NCc1cncc([O-])c1)N(C)C ZINC000886273138 592193388 /nfs/dbraw/zinc/19/33/88/592193388.db2.gz NFJLFAYIZREEKZ-LLVKDONJSA-N -1 3 237.303 0.744 20 0 BCADHM Cc1ccnn1CC(=O)NCc1cncc([O-])c1 ZINC000886273367 592193711 /nfs/dbraw/zinc/19/37/11/592193711.db2.gz WCBFSPOPOZPLAD-UHFFFAOYSA-N -1 3 246.270 0.609 20 0 BCADHM C[C@@H](C(=O)NCc1cncc([O-])c1)N(C)C ZINC000886273392 592194145 /nfs/dbraw/zinc/19/41/45/592194145.db2.gz WUETVFQFMRKOPL-QMMMGPOBSA-N -1 3 223.276 0.354 20 0 BCADHM O=C(/C=C/[C@H]1CCOC1)NCc1cncc([O-])c1 ZINC000886275066 592194565 /nfs/dbraw/zinc/19/45/65/592194565.db2.gz MJDMYGACAVSEHK-YOLVWIGZSA-N -1 3 248.282 0.996 20 0 BCADHM C[C@@H]1OCC[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886277885 592196146 /nfs/dbraw/zinc/19/61/46/592196146.db2.gz FYXJMBGUPHEVGC-GZMMTYOYSA-N -1 3 236.271 0.828 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H]1CCCCO1 ZINC000886277913 592196158 /nfs/dbraw/zinc/19/61/58/592196158.db2.gz GYLONCXNPIEFTP-LLVKDONJSA-N -1 3 236.271 0.973 20 0 BCADHM Cn1cncc1CC(=O)NCc1cncc([O-])c1 ZINC000886276422 592196360 /nfs/dbraw/zinc/19/63/60/592196360.db2.gz IRBSSIUXYJXSGV-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM C[C@H]1OCC[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886277886 592196430 /nfs/dbraw/zinc/19/64/30/592196430.db2.gz FYXJMBGUPHEVGC-KCJUWKMLSA-N -1 3 236.271 0.828 20 0 BCADHM C[C@@H]1C[C@H](C(=O)NCc2cncc([O-])c2)CO1 ZINC000886276854 592196552 /nfs/dbraw/zinc/19/65/52/592196552.db2.gz XKTVFXCRGJXBDZ-SCZZXKLOSA-N -1 3 236.271 0.828 20 0 BCADHM CN1CCCC[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886277915 592196632 /nfs/dbraw/zinc/19/66/32/592196632.db2.gz GZRQUGHEOKKEMS-LBPRGKRZSA-N -1 3 249.314 0.888 20 0 BCADHM CCCOCC(=O)NCc1cncc([O-])c1 ZINC000886279700 592198017 /nfs/dbraw/zinc/19/80/17/592198017.db2.gz HOTQMZSRAZFHIM-UHFFFAOYSA-N -1 3 224.260 0.830 20 0 BCADHM CC(C)OCC(=O)NCc1cncc([O-])c1 ZINC000886280018 592198040 /nfs/dbraw/zinc/19/80/40/592198040.db2.gz ROUIMKHLQGXJRN-UHFFFAOYSA-N -1 3 224.260 0.828 20 0 BCADHM O=C(N[C@H]1C[C@H](CO)C1)c1cc(F)c[n-]c1=O ZINC000886882962 592383056 /nfs/dbraw/zinc/38/30/56/592383056.db2.gz LVIPVJWICHOKAC-FKQCQYRASA-N -1 3 240.234 0.427 20 0 BCADHM N[C@H](CC1CC1)C(=O)N(CC(=O)[O-])C1CCC1 ZINC000887398031 592502311 /nfs/dbraw/zinc/50/23/11/592502311.db2.gz MKSWDQBBOROTMP-SNVBAGLBSA-N -1 3 240.303 0.580 20 0 BCADHM CC(C)C[C@H](NC(=O)[C@H](N)CC1CC1)C(=O)[O-] ZINC000302704168 592552419 /nfs/dbraw/zinc/55/24/19/592552419.db2.gz WMIPXGSIQMDYBH-ZJUUUORDSA-N -1 3 242.319 0.729 20 0 BCADHM COC(=O)[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC000888050032 592569073 /nfs/dbraw/zinc/56/90/73/592569073.db2.gz PUOSREFNVLLASG-SECBINFHSA-N -1 3 235.239 0.780 20 0 BCADHM C[C@@H](Cc1cccnc1)NC(=O)c1c[n-]nn1 ZINC000889659651 592639976 /nfs/dbraw/zinc/63/99/76/592639976.db2.gz KKRVQJGUCQEOCQ-QMMMGPOBSA-N -1 3 231.259 0.561 20 0 BCADHM C[C@@H](Cc1cccnc1)NC(=O)c1cnn[n-]1 ZINC000889659651 592639978 /nfs/dbraw/zinc/63/99/78/592639978.db2.gz KKRVQJGUCQEOCQ-QMMMGPOBSA-N -1 3 231.259 0.561 20 0 BCADHM C[C@@H](Cc1cccnc1)NC(=O)c1cn[n-]n1 ZINC000889659651 592639980 /nfs/dbraw/zinc/63/99/80/592639980.db2.gz KKRVQJGUCQEOCQ-QMMMGPOBSA-N -1 3 231.259 0.561 20 0 BCADHM CC(C)Oc1cnccc1NC(=O)c1cnn[n-]1 ZINC000889947887 592663558 /nfs/dbraw/zinc/66/35/58/592663558.db2.gz CGISVGKHOHCBJB-UHFFFAOYSA-N -1 3 247.258 0.661 20 0 BCADHM CC(C)Oc1cnccc1NC(=O)c1c[n-]nn1 ZINC000889947887 592663559 /nfs/dbraw/zinc/66/35/59/592663559.db2.gz CGISVGKHOHCBJB-UHFFFAOYSA-N -1 3 247.258 0.661 20 0 BCADHM CC(C)Oc1cnccc1NC(=O)c1cn[n-]n1 ZINC000889947887 592663560 /nfs/dbraw/zinc/66/35/60/592663560.db2.gz CGISVGKHOHCBJB-UHFFFAOYSA-N -1 3 247.258 0.661 20 0 BCADHM CCc1cc(C(=O)[N-]c2nncn2C)no1 ZINC000889965950 592664511 /nfs/dbraw/zinc/66/45/11/592664511.db2.gz RWOKLSMIEWPIRJ-UHFFFAOYSA-N -1 3 221.220 0.618 20 0 BCADHM C[C@H]1CO[C@H](C(=O)[N-]c2nncn2C)C1 ZINC000889964506 592664599 /nfs/dbraw/zinc/66/45/99/592664599.db2.gz HVCOGLDJIMNNGV-RQJHMYQMSA-N -1 3 210.237 0.179 20 0 BCADHM Cn1cnc(CNC(=O)Cc2cncc([O-])c2)c1 ZINC000890106514 592681895 /nfs/dbraw/zinc/68/18/95/592681895.db2.gz BDWGGSVHDQTYEF-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM C[C@H](CN(C)[C@@H](C)C(=O)[O-])CS(C)(=O)=O ZINC000381039354 596977417 /nfs/dbraw/zinc/97/74/17/596977417.db2.gz DIXLRUMLKFRIMR-SFYZADRCSA-N -1 3 237.321 0.072 20 0 BCADHM CC[C@H](C)NC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000037933144 597001565 /nfs/dbraw/zinc/00/15/65/597001565.db2.gz MOHGHCIIQVTKTD-DTWKUNHWSA-N -1 3 230.308 0.696 20 0 BCADHM CC[C@H](C)NC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000037933146 597001939 /nfs/dbraw/zinc/00/19/39/597001939.db2.gz MOHGHCIIQVTKTD-IUCAKERBSA-N -1 3 230.308 0.696 20 0 BCADHM CC(C)[C@@H](C(=O)N(C)CCC(=O)[O-])N(C)C ZINC000309714543 597008823 /nfs/dbraw/zinc/00/88/23/597008823.db2.gz YICIAPDWXKWOGC-JTQLQIEISA-N -1 3 230.308 0.506 20 0 BCADHM CCCNC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000037933137 597002941 /nfs/dbraw/zinc/00/29/41/597002941.db2.gz DYLLGEVODRYXHM-MRVPVSSYSA-N -1 3 216.281 0.308 20 0 BCADHM C[C@H](C(=O)NC1CC1)N(C)CCC(=O)[O-] ZINC000037933158 597003006 /nfs/dbraw/zinc/00/30/06/597003006.db2.gz XRKWZVDGTGYFGB-SSDOTTSWSA-N -1 3 214.265 0.060 20 0 BCADHM COc1c(CN[C@H](C)C(=O)[O-])c(C)nn1C ZINC000166654229 597013898 /nfs/dbraw/zinc/01/38/98/597013898.db2.gz NASOKERTPSNHEF-SSDOTTSWSA-N -1 3 227.264 0.300 20 0 BCADHM Cc1ccc([O-])c(C[NH2+][C@@H](C)C(=O)[O-])n1 ZINC000085972939 597304680 /nfs/dbraw/zinc/30/46/80/597304680.db2.gz ATTYFYJWRHWAJC-ZETCQYMHSA-N -1 3 210.233 0.658 20 0 BCADHM O=C([O-])c1ccc(CN2CCNC(=O)CC2)cc1 ZINC000062101231 597345144 /nfs/dbraw/zinc/34/51/44/597345144.db2.gz UZIHUKZUAXLAFD-UHFFFAOYSA-N -1 3 248.282 0.707 20 0 BCADHM O=C([O-])[C@@H]1CN(CC2(O)CCCC2)CCO1 ZINC000083587448 597350595 /nfs/dbraw/zinc/35/05/95/597350595.db2.gz PKFOPLLZPTUUOW-VIFPVBQESA-N -1 3 229.276 0.077 20 0 BCADHM CCN(CC)CC(=O)NCCCC(=O)[O-] ZINC000389970251 597361324 /nfs/dbraw/zinc/36/13/24/597361324.db2.gz ZODRQVNWTRSUCV-UHFFFAOYSA-N -1 3 216.281 0.309 20 0 BCADHM CN(CCO)c1ccc(-c2nn[n-]n2)cc1F ZINC000095314614 607302011 /nfs/dbraw/zinc/30/20/11/607302011.db2.gz MVLWMJORUDETRF-UHFFFAOYSA-N -1 3 237.238 0.434 20 0 BCADHM CCN(CC)CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000390151365 597497473 /nfs/dbraw/zinc/49/74/73/597497473.db2.gz UJURSECKFMECKD-SECBINFHSA-N -1 3 228.292 0.261 20 0 BCADHM NC(=O)[C@@H]1CCCCN1CCCCC(=O)[O-] ZINC000042405351 597767696 /nfs/dbraw/zinc/76/76/96/597767696.db2.gz DTCXLQHWPWNSBZ-VIFPVBQESA-N -1 3 228.292 0.581 20 0 BCADHM C[C@@H]1OCCN(CCCC(=O)[O-])[C@H]1C ZINC000308539963 597789974 /nfs/dbraw/zinc/78/99/74/597789974.db2.gz UJNXLYHSLLGQNR-IUCAKERBSA-N -1 3 201.266 0.960 20 0 BCADHM O=C([O-])CCCN1CCC2(C1)OCCO2 ZINC000308861323 597794836 /nfs/dbraw/zinc/79/48/36/597794836.db2.gz RNGDFIQDTIZEDQ-UHFFFAOYSA-N -1 3 215.249 0.300 20 0 BCADHM C[C@@H]1CC(=O)NCCN1CCCCC(=O)[O-] ZINC000707288670 597801852 /nfs/dbraw/zinc/80/18/52/597801852.db2.gz AMJXPQMFMRPIGD-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM CN(CCCC(=O)[O-])C[C@H](O)C(F)(F)F ZINC000082681330 597806550 /nfs/dbraw/zinc/80/65/50/597806550.db2.gz LUAHNSYCCWYIIT-LURJTMIESA-N -1 3 229.198 0.706 20 0 BCADHM Cn1ncnc1CNC1CCC(C(=O)[O-])CC1 ZINC000088580734 598107979 /nfs/dbraw/zinc/10/79/79/598107979.db2.gz MNOUFPIOBJIMRD-UHFFFAOYSA-N -1 3 238.291 0.548 20 0 BCADHM C[C@@H](NCCCC(=O)[O-])c1nccn1C ZINC000070007776 598180133 /nfs/dbraw/zinc/18/01/33/598180133.db2.gz DQJNPWOCRUBXBC-MRVPVSSYSA-N -1 3 211.265 0.936 20 0 BCADHM CC(C)[C@@H](NCc1nnnn1C1CC1)C(=O)[O-] ZINC000035406502 598189083 /nfs/dbraw/zinc/18/90/83/598189083.db2.gz NZYCTUIMQFAGIV-SECBINFHSA-N -1 3 239.279 0.207 20 0 BCADHM CC(C)[C@H](NCc1cn(C)nn1)C(=O)[O-] ZINC000054861005 598193279 /nfs/dbraw/zinc/19/32/79/598193279.db2.gz AJOGAXHRKGTUFP-QMMMGPOBSA-N -1 3 212.253 0.014 20 0 BCADHM CC(C)C[C@@H](NCc1cn(C)nn1)C(=O)[O-] ZINC000054861011 598208952 /nfs/dbraw/zinc/20/89/52/598208952.db2.gz NZYBOYPWOHYWQF-SECBINFHSA-N -1 3 226.280 0.404 20 0 BCADHM OCCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000095152343 598234271 /nfs/dbraw/zinc/23/42/71/598234271.db2.gz FNKCNWSUNADDAL-UHFFFAOYSA-N -1 3 237.238 0.800 20 0 BCADHM CCOC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000095175303 598480378 /nfs/dbraw/zinc/48/03/78/598480378.db2.gz UUNRNBQVRCGKLI-UHFFFAOYSA-N -1 3 219.204 0.438 20 0 BCADHM CCOC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000095175303 598480379 /nfs/dbraw/zinc/48/03/79/598480379.db2.gz UUNRNBQVRCGKLI-UHFFFAOYSA-N -1 3 219.204 0.438 20 0 BCADHM C[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC000095155060 598627836 /nfs/dbraw/zinc/62/78/36/598627836.db2.gz QCKPXOPGEURXPI-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM C[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC000095155060 598627837 /nfs/dbraw/zinc/62/78/37/598627837.db2.gz QCKPXOPGEURXPI-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM C[C@H](CCO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735987396 599528435 /nfs/dbraw/zinc/52/84/35/599528435.db2.gz UOYHVOTVKISEQZ-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](CCO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735987396 599528436 /nfs/dbraw/zinc/52/84/36/599528436.db2.gz UOYHVOTVKISEQZ-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM CNC(=O)[C@@H]1CCCCN1CCC(=O)[O-] ZINC000042423077 599799981 /nfs/dbraw/zinc/79/99/81/599799981.db2.gz FGIAOQNMCUAJIW-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM CCN(CC)CC(=O)NCCSCC(=O)[O-] ZINC000737085518 599888447 /nfs/dbraw/zinc/88/84/47/599888447.db2.gz NJXCMLJRUKPGBC-UHFFFAOYSA-N -1 3 248.348 0.262 20 0 BCADHM CC[C@@H](C(N)=O)N1CCC(CC(=O)[O-])CC1 ZINC000086573344 599993341 /nfs/dbraw/zinc/99/33/41/599993341.db2.gz QCBWEDKDNTXOIA-VIFPVBQESA-N -1 3 228.292 0.437 20 0 BCADHM CC(C)N(CCC(=O)[O-])CC(=O)N1CCC1 ZINC000037474367 600220299 /nfs/dbraw/zinc/22/02/99/600220299.db2.gz FXFVPOAULQZEJU-UHFFFAOYSA-N -1 3 228.292 0.404 20 0 BCADHM NC(=O)[C@H]1CCCCN1CCCC(=O)[O-] ZINC000042405369 600223699 /nfs/dbraw/zinc/22/36/99/600223699.db2.gz XZYDZLOGQCYXHB-MRVPVSSYSA-N -1 3 214.265 0.191 20 0 BCADHM Cc1ncc(CN(C)C[C@@H](C)C(=O)[O-])cn1 ZINC000738883222 600363712 /nfs/dbraw/zinc/36/37/12/600363712.db2.gz GPHMPGWNRRQCND-MRVPVSSYSA-N -1 3 223.276 0.938 20 0 BCADHM CCCNC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000250381938 600371586 /nfs/dbraw/zinc/37/15/86/600371586.db2.gz GEONJWIMSKVCDJ-IUCAKERBSA-N -1 3 230.308 0.554 20 0 BCADHM C[C@H](CN(C)[C@H](C)C(=O)NC1CC1)C(=O)[O-] ZINC000251082190 600373513 /nfs/dbraw/zinc/37/35/13/600373513.db2.gz ICNBZCUUDKMMPP-HTQZYQBOSA-N -1 3 228.292 0.306 20 0 BCADHM CCN(CC(=O)NCC(=O)[O-])C1CCC1 ZINC000381494967 600469986 /nfs/dbraw/zinc/46/99/86/600469986.db2.gz NVMSASXDRUIWTK-UHFFFAOYSA-N -1 3 214.265 0.062 20 0 BCADHM O=C([O-])[C@H]1CN(CC2CCOCC2)CCO1 ZINC000052174538 600539956 /nfs/dbraw/zinc/53/99/56/600539956.db2.gz HRKCHDTZSAPWDC-SNVBAGLBSA-N -1 3 229.276 0.198 20 0 BCADHM COc1cccc(CN2CC[C@H](C(=O)[O-])C2)n1 ZINC000070094182 600540036 /nfs/dbraw/zinc/54/00/36/600540036.db2.gz OZLBBOKUHXJPJK-VIFPVBQESA-N -1 3 236.271 0.997 20 0 BCADHM C[C@H]1CCCN1CC(=O)NCCC(=O)[O-] ZINC000393622541 600681001 /nfs/dbraw/zinc/68/10/01/600681001.db2.gz UXYWQTFKFVHFHR-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM CN(CCCC(=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000381274548 600718982 /nfs/dbraw/zinc/71/89/82/600718982.db2.gz WPBOXZMLGIQUPZ-SECBINFHSA-N -1 3 249.332 0.218 20 0 BCADHM CCCN(C)CC(=O)NC(C)(C)CC(=O)[O-] ZINC000737007027 600790039 /nfs/dbraw/zinc/79/00/39/600790039.db2.gz AMDWATDITAPPEW-UHFFFAOYSA-N -1 3 230.308 0.698 20 0 BCADHM OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000095233333 607468821 /nfs/dbraw/zinc/46/88/21/607468821.db2.gz HAZMRTKFVYUCRC-UHFFFAOYSA-N -1 3 220.232 0.628 20 0 BCADHM O=C(CN1CCC[C@H](C(=O)[O-])C1)NC1CC1 ZINC000032015185 600844412 /nfs/dbraw/zinc/84/44/12/600844412.db2.gz KDSGSTQFTXKFEJ-QMMMGPOBSA-N -1 3 226.276 0.062 20 0 BCADHM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@H]1CCCN(C)C1 ZINC000053244703 600872186 /nfs/dbraw/zinc/87/21/86/600872186.db2.gz GTPZGEKJHQBOMO-AEJSXWLSSA-N -1 3 240.303 0.260 20 0 BCADHM C[C@H](O)CN(C)Cc1ccc(C(=O)[O-])o1 ZINC000051821474 600978900 /nfs/dbraw/zinc/97/89/00/600978900.db2.gz WNPNDMYJCPKHTK-ZETCQYMHSA-N -1 3 213.233 0.790 20 0 BCADHM C[C@H](c1cccnc1)N1CCN(CC(=O)[O-])CC1 ZINC000086731263 600955951 /nfs/dbraw/zinc/95/59/51/600955951.db2.gz ZPPPYRYKZDOWSA-LLVKDONJSA-N -1 3 249.314 0.845 20 0 BCADHM C/C(=C/CN(CC(N)=O)CC(C)C)C(=O)[O-] ZINC000084002853 601048834 /nfs/dbraw/zinc/04/88/34/601048834.db2.gz ZGVWNOLCMWMYGI-WTKPLQERSA-N -1 3 228.292 0.461 20 0 BCADHM Cn1ccnc1CN[C@](C)(C(=O)[O-])C1CC1 ZINC000686008301 601171346 /nfs/dbraw/zinc/17/13/46/601171346.db2.gz VKBHWPQKFXMDLZ-NSHDSACASA-N -1 3 223.276 0.763 20 0 BCADHM C[C@]1(O)CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000235760122 601182640 /nfs/dbraw/zinc/18/26/40/601182640.db2.gz MGEZYERTHZVGKG-NSHDSACASA-N -1 3 225.244 0.935 20 0 BCADHM C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C(=O)[O-] ZINC000235339465 601507011 /nfs/dbraw/zinc/50/70/11/601507011.db2.gz FTDQBPQFTFDELB-PSASIEDQSA-N -1 3 240.303 0.165 20 0 BCADHM C[C@H]1CN(CC(=O)NCC2CC2)C[C@H]1C(=O)[O-] ZINC000251637349 601507289 /nfs/dbraw/zinc/50/72/89/601507289.db2.gz FTDQBPQFTFDELB-WCBMZHEXSA-N -1 3 240.303 0.165 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H]1C ZINC000381204682 601538104 /nfs/dbraw/zinc/53/81/04/601538104.db2.gz FXCOHHYZWFWDPO-HTQZYQBOSA-N -1 3 214.265 0.060 20 0 BCADHM CS(=O)(=O)CCCCN1CCC[C@H]1C(=O)[O-] ZINC000705565469 601863081 /nfs/dbraw/zinc/86/30/81/601863081.db2.gz LUAJHGUTWBCBFA-VIFPVBQESA-N -1 3 249.332 0.360 20 0 BCADHM Cn1cnnc1CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000395809547 601874021 /nfs/dbraw/zinc/87/40/21/601874021.db2.gz KIQPHLFPHZNUQM-QMMMGPOBSA-N -1 3 226.280 0.404 20 0 BCADHM Cn1ccnc1N1CCN(CCC(=O)[O-])CC1 ZINC000050605112 601932649 /nfs/dbraw/zinc/93/26/49/601932649.db2.gz MXFCZQBNNPHYPB-UHFFFAOYSA-N -1 3 238.291 0.017 20 0 BCADHM C[C@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738602189 602043278 /nfs/dbraw/zinc/04/32/78/602043278.db2.gz MMHDOXADZYTNAS-RKDXNWHRSA-N -1 3 243.307 0.053 20 0 BCADHM NC(=O)c1cccc(CNCCNC(=O)[O-])c1 ZINC000740335347 602048315 /nfs/dbraw/zinc/04/83/15/602048315.db2.gz NSMMWKCLLDQJIZ-UHFFFAOYSA-N -1 3 237.259 0.143 20 0 BCADHM Cn1cc(CNCCN(C(=O)[O-])C2CC2)cn1 ZINC000740289443 602056571 /nfs/dbraw/zinc/05/65/71/602056571.db2.gz JBZCFFVMAWMGKD-UHFFFAOYSA-N -1 3 238.291 0.652 20 0 BCADHM CC(C)N(C)CC(=O)NC(C)(C)CNC(=O)[O-] ZINC000738836169 602303711 /nfs/dbraw/zinc/30/37/11/602303711.db2.gz VTERSMVGLUJZPS-UHFFFAOYSA-N -1 3 245.323 0.489 20 0 BCADHM Cc1n[nH]cc1CNC(C)(C)CNC(=O)[O-] ZINC000740208728 602318449 /nfs/dbraw/zinc/31/84/49/602318449.db2.gz QAMRUJFJQUGPCY-UHFFFAOYSA-N -1 3 226.280 0.854 20 0 BCADHM CCN(CCNC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000739422021 602472903 /nfs/dbraw/zinc/47/29/03/602472903.db2.gz WUPRDZXQVUQNDK-UHFFFAOYSA-N -1 3 245.323 0.443 20 0 BCADHM CC[C@H](C(N)=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739215315 602543110 /nfs/dbraw/zinc/54/31/10/602543110.db2.gz XWIHWPMSSCGFOF-RKDXNWHRSA-N -1 3 243.307 0.182 20 0 BCADHM C[C@H](CNC(=O)[O-])N(C)CCN1CCCC1=O ZINC000738940508 602560236 /nfs/dbraw/zinc/56/02/36/602560236.db2.gz JYFAPXYYTANJIB-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739348185 602593777 /nfs/dbraw/zinc/59/37/77/602593777.db2.gz HAOHVAVYEUZULV-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM Cn1cncc1CNC[C@@H]1CCCN1C(=O)[O-] ZINC000740296479 602593984 /nfs/dbraw/zinc/59/39/84/602593984.db2.gz WLUMZWDOTFUUDN-VIFPVBQESA-N -1 3 238.291 0.652 20 0 BCADHM Cn1ccnc1CNC1CCN(C(=O)[O-])CC1 ZINC000740295764 602648057 /nfs/dbraw/zinc/64/80/57/602648057.db2.gz OGUBLSMVLPHREO-UHFFFAOYSA-N -1 3 238.291 0.652 20 0 BCADHM CCN(CCCNCc1ncc[nH]1)C(=O)[O-] ZINC000739420525 602680886 /nfs/dbraw/zinc/68/08/86/602680886.db2.gz FDZCHDXDHPCHGL-UHFFFAOYSA-N -1 3 226.280 0.889 20 0 BCADHM CC(C)[C@@H](CNCc1cn[nH]c1)NC(=O)[O-] ZINC000738794887 602791786 /nfs/dbraw/zinc/79/17/86/602791786.db2.gz SPRKQCYVYUUQOS-SECBINFHSA-N -1 3 226.280 0.792 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1CC(=O)NCCNC(=O)[O-] ZINC000739089957 602973563 /nfs/dbraw/zinc/97/35/63/602973563.db2.gz MLXNMMJELKXDSD-RKDXNWHRSA-N -1 3 243.307 0.243 20 0 BCADHM Cn1cc(CN[C@@H](CNC(=O)[O-])C2CC2)cn1 ZINC000740290156 603071472 /nfs/dbraw/zinc/07/14/72/603071472.db2.gz MVOVSQKDDIYTJH-JTQLQIEISA-N -1 3 238.291 0.556 20 0 BCADHM CN(CCNC(=O)[O-])C[C@H]1CCCO1 ZINC000739697182 603083250 /nfs/dbraw/zinc/08/32/50/603083250.db2.gz IMQQTSFIFXBFJU-MRVPVSSYSA-N -1 3 202.254 0.365 20 0 BCADHM C[C@H]1CN(C[C@@H]2CCOC2)CCN1C(=O)[O-] ZINC000739181055 603366285 /nfs/dbraw/zinc/36/62/85/603366285.db2.gz QVOXMNNUNFONLH-UWVGGRQHSA-N -1 3 228.292 0.707 20 0 BCADHM Cc1cc(N2CC[C@@H](NC(=O)[O-])C2)nc(N)n1 ZINC000740076681 604349290 /nfs/dbraw/zinc/34/92/90/604349290.db2.gz BFEHJNBEJYAIHT-SSDOTTSWSA-N -1 3 237.263 0.214 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CCn2cccn2)C1 ZINC000740594757 604368190 /nfs/dbraw/zinc/36/81/90/604368190.db2.gz BVPVUJUBNJMXAT-SECBINFHSA-N -1 3 224.264 0.225 20 0 BCADHM CC(C)OCCN1CC[C@@H](NC(=O)[O-])C1 ZINC000738857060 604369116 /nfs/dbraw/zinc/36/91/16/604369116.db2.gz BKFWKLHMNVLEFR-SECBINFHSA-N -1 3 216.281 0.753 20 0 BCADHM NC(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC000041760154 604479962 /nfs/dbraw/zinc/47/99/62/604479962.db2.gz YGTKUGVSYRDYCV-UHFFFAOYSA-N -1 3 214.265 0.239 20 0 BCADHM CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738836174 604484773 /nfs/dbraw/zinc/48/47/73/604484773.db2.gz VVNWLYPBAACGJJ-SECBINFHSA-N -1 3 243.307 0.195 20 0 BCADHM CN1CCC[C@@H]1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000257738608 604583641 /nfs/dbraw/zinc/58/36/41/604583641.db2.gz XPWRQFLXDSXVJP-VHSXEESVSA-N -1 3 240.303 0.546 20 0 BCADHM O=C([O-])CCN1CCOC2(CCOCC2)C1 ZINC000390133340 604680618 /nfs/dbraw/zinc/68/06/18/604680618.db2.gz KUOMBINCNAMLDH-UHFFFAOYSA-N -1 3 229.276 0.343 20 0 BCADHM O=C([O-])C[C@@H]1CN(C[C@H]2CCCOC2)CCO1 ZINC000091298781 604778063 /nfs/dbraw/zinc/77/80/63/604778063.db2.gz CUWCRZXNAAOFFM-GHMZBOCLSA-N -1 3 243.303 0.589 20 0 BCADHM O=C([O-])C[C@H]1CN(C[C@H]2CCCOC2)CCO1 ZINC000250994484 604778040 /nfs/dbraw/zinc/77/80/40/604778040.db2.gz CUWCRZXNAAOFFM-MNOVXSKESA-N -1 3 243.303 0.589 20 0 BCADHM C[C@H](CN(C)[C@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000251142211 604963588 /nfs/dbraw/zinc/96/35/88/604963588.db2.gz WMLYNPXSXLWNLC-HTQZYQBOSA-N -1 3 216.281 0.116 20 0 BCADHM CC(C)CNC(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000042163601 604966417 /nfs/dbraw/zinc/96/64/17/604966417.db2.gz HVKSAUTVPQCBMN-JTQLQIEISA-N -1 3 242.319 0.698 20 0 BCADHM CC[S@@](=O)CCNCc1ccoc1C(=O)[O-] ZINC000234091405 605093132 /nfs/dbraw/zinc/09/31/32/605093132.db2.gz PMYVKVKBLQVUTG-MRXNPFEDSA-N -1 3 245.300 0.836 20 0 BCADHM CCC[C@H](C(=O)NCCC(=O)[O-])N(C)C ZINC000820304775 605145138 /nfs/dbraw/zinc/14/51/38/605145138.db2.gz XRFPBTWPDRQHJU-MRVPVSSYSA-N -1 3 216.281 0.308 20 0 BCADHM C[C@@H]1C[C@@H](CN2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC000257637780 605476863 /nfs/dbraw/zinc/47/68/63/605476863.db2.gz AEQHMBANZMPPCY-OUAUKWLOSA-N -1 3 243.303 0.587 20 0 BCADHM O=C([O-])N[C@H]1CCN(CCn2cccn2)C1 ZINC000740594758 605911132 /nfs/dbraw/zinc/91/11/32/605911132.db2.gz BVPVUJUBNJMXAT-VIFPVBQESA-N -1 3 224.264 0.225 20 0 BCADHM C[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC000095155057 606060732 /nfs/dbraw/zinc/06/07/32/606060732.db2.gz QCKPXOPGEURXPI-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM C[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC000095155057 606060738 /nfs/dbraw/zinc/06/07/38/606060738.db2.gz QCKPXOPGEURXPI-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM CC[C@@](C)(CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095259107 606175312 /nfs/dbraw/zinc/17/53/12/606175312.db2.gz PISUISHVINYSGQ-NSHDSACASA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@](C)(CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095259107 606175313 /nfs/dbraw/zinc/17/53/13/606175313.db2.gz PISUISHVINYSGQ-NSHDSACASA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@](C)(CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095259108 606175370 /nfs/dbraw/zinc/17/53/70/606175370.db2.gz PISUISHVINYSGQ-LLVKDONJSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@](C)(CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095259108 606175371 /nfs/dbraw/zinc/17/53/71/606175371.db2.gz PISUISHVINYSGQ-LLVKDONJSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820628978 606243869 /nfs/dbraw/zinc/24/38/69/606243869.db2.gz ROTAQFTUOZPUAH-LLVKDONJSA-N -1 3 246.274 0.223 20 0 BCADHM C[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820628978 606243871 /nfs/dbraw/zinc/24/38/71/606243871.db2.gz ROTAQFTUOZPUAH-LLVKDONJSA-N -1 3 246.274 0.223 20 0 BCADHM C/C=C/COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000095161463 606382141 /nfs/dbraw/zinc/38/21/41/606382141.db2.gz HWAXPBBTIZQEGA-ONEGZZNKSA-N -1 3 247.258 0.938 20 0 BCADHM C/C=C/COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000095161463 606382143 /nfs/dbraw/zinc/38/21/43/606382143.db2.gz HWAXPBBTIZQEGA-ONEGZZNKSA-N -1 3 247.258 0.938 20 0 BCADHM CN(C)C(=O)CNc1cccc(-c2nnn[n-]2)c1 ZINC000095293380 606659591 /nfs/dbraw/zinc/65/95/91/606659591.db2.gz SSKRJNKUCCKGGY-UHFFFAOYSA-N -1 3 246.274 0.367 20 0 BCADHM CN(C)C(=O)CNc1cccc(-c2nn[n-]n2)c1 ZINC000095293380 606659592 /nfs/dbraw/zinc/65/95/92/606659592.db2.gz SSKRJNKUCCKGGY-UHFFFAOYSA-N -1 3 246.274 0.367 20 0 BCADHM OCCNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000095339050 607124749 /nfs/dbraw/zinc/12/47/49/607124749.db2.gz JMTQIBUSJNLFLD-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM C[C@H](CO)COc1ccccc1-c1nnn[n-]1 ZINC000824441691 608259705 /nfs/dbraw/zinc/25/97/05/608259705.db2.gz RDQWGCMIBVLVBC-MRVPVSSYSA-N -1 3 234.259 0.874 20 0 BCADHM C[C@H](CO)COc1ccccc1-c1nn[n-]n1 ZINC000824441691 608259707 /nfs/dbraw/zinc/25/97/07/608259707.db2.gz RDQWGCMIBVLVBC-MRVPVSSYSA-N -1 3 234.259 0.874 20 0 BCADHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H](C)CO)n1 ZINC000095331462 608380807 /nfs/dbraw/zinc/38/08/07/608380807.db2.gz ALPJWURJTMJRNB-QMMMGPOBSA-N -1 3 248.290 0.671 20 0 BCADHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H](C)CO)n1 ZINC000095331462 608380809 /nfs/dbraw/zinc/38/08/09/608380809.db2.gz ALPJWURJTMJRNB-QMMMGPOBSA-N -1 3 248.290 0.671 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](C)O)n1 ZINC000095340170 608552060 /nfs/dbraw/zinc/55/20/60/608552060.db2.gz GFCBOIBOQOQKDK-SSDOTTSWSA-N -1 3 234.263 0.363 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H](C)O)n1 ZINC000095340170 608552061 /nfs/dbraw/zinc/55/20/61/608552061.db2.gz GFCBOIBOQOQKDK-SSDOTTSWSA-N -1 3 234.263 0.363 20 0 BCADHM COC(=O)CCCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000857285924 634421059 /nfs/dbraw/zinc/42/10/59/634421059.db2.gz NSFRIRAUZVDEOM-VIFPVBQESA-N -1 3 247.291 0.394 20 0 BCADHM Cc1nc(N[C@H](C)c2ncnn2C)cc(=O)[n-]1 ZINC000893433948 634466753 /nfs/dbraw/zinc/46/67/53/634466753.db2.gz OIWODJXSSNMSCJ-ZCFIWIBFSA-N -1 3 234.263 0.792 20 0 BCADHM CS[C@@H](C)CCC(=O)[N-]OCCO ZINC000308315106 631279412 /nfs/dbraw/zinc/27/94/12/631279412.db2.gz WDDSDUOQOZGAKW-ZETCQYMHSA-N -1 3 207.295 0.558 20 0 BCADHM CC(C)n1nnc(NC([O-])=NOC2CCC2)n1 ZINC000933459726 631381216 /nfs/dbraw/zinc/38/12/16/631381216.db2.gz QDIAGJMUKDKTGG-UHFFFAOYSA-N -1 3 240.267 0.860 20 0 BCADHM CC(C)n1nnc(NC(=O)[N-]OC2CCC2)n1 ZINC000933459726 631381218 /nfs/dbraw/zinc/38/12/18/631381218.db2.gz QDIAGJMUKDKTGG-UHFFFAOYSA-N -1 3 240.267 0.860 20 0 BCADHM CO[N-]C(=O)CN[C@H](C)c1ccccn1 ZINC000308937960 631743378 /nfs/dbraw/zinc/74/33/78/631743378.db2.gz LJXVDZYZSNGVSM-MRVPVSSYSA-N -1 3 209.249 0.410 20 0 BCADHM O=c1cc(N2CCC[C@@H]2CCO)nc[n-]1 ZINC000308906392 632133252 /nfs/dbraw/zinc/13/32/52/632133252.db2.gz VNQZNLGCTHJRLW-MRVPVSSYSA-N -1 3 209.249 0.533 20 0 BCADHM C[C@@H]1C[C@H](Nc2cc(=O)[n-]cn2)CCO1 ZINC000235384077 632681560 /nfs/dbraw/zinc/68/15/60/632681560.db2.gz OYDMGAHTPSOLMG-HTQZYQBOSA-N -1 3 209.249 0.749 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CCSC2)[n-]1 ZINC000162057160 633020100 /nfs/dbraw/zinc/02/01/00/633020100.db2.gz CKHHDXUSHUKCPL-LURJTMIESA-N -1 3 242.304 0.895 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CCSC2)n[n-]1 ZINC000162057160 633020104 /nfs/dbraw/zinc/02/01/04/633020104.db2.gz CKHHDXUSHUKCPL-LURJTMIESA-N -1 3 242.304 0.895 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CCSC2)n1 ZINC000162057160 633020109 /nfs/dbraw/zinc/02/01/09/633020109.db2.gz CKHHDXUSHUKCPL-LURJTMIESA-N -1 3 242.304 0.895 20 0 BCADHM Cc1nc(N(C)[C@@H](C)CCO)cc(=O)[n-]1 ZINC000894407235 635893351 /nfs/dbraw/zinc/89/33/51/635893351.db2.gz SGRNMIMNZSYEQA-ZETCQYMHSA-N -1 3 211.265 0.698 20 0 BCADHM C[C@@]12COC[C@@H]1CN(c1cc(=O)[n-]cn1)C2 ZINC000894563797 635909668 /nfs/dbraw/zinc/90/96/68/635909668.db2.gz LPSSZDPZCXOIQO-GZMMTYOYSA-N -1 3 221.260 0.655 20 0 BCADHM Cc1nc(N2C[C@H]3COC[C@]3(C)C2)cc(=O)[n-]1 ZINC000894563590 635910834 /nfs/dbraw/zinc/91/08/34/635910834.db2.gz JCQBNUNKTFQOFR-CABZTGNLSA-N -1 3 235.287 0.963 20 0 BCADHM Cc1nc(N2C[C@@H]3COC[C@]3(C)C2)cc(=O)[n-]1 ZINC000894563592 635911640 /nfs/dbraw/zinc/91/16/40/635911640.db2.gz JCQBNUNKTFQOFR-SKDRFNHKSA-N -1 3 235.287 0.963 20 0 BCADHM Cc1cnc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c([O-])c1 ZINC000928434939 635930264 /nfs/dbraw/zinc/93/02/64/635930264.db2.gz FNGINMXMWHSHEJ-VHSXEESVSA-N -1 3 249.314 0.918 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@H](N)CC1CC1 ZINC000304391028 635941544 /nfs/dbraw/zinc/94/15/44/635941544.db2.gz SZAOXVMSICMFKU-SECBINFHSA-N -1 3 228.292 0.437 20 0 BCADHM CC(C)[C@@H](C(=O)N[C@H](C)CCC(=O)[O-])N(C)C ZINC000909447760 636063615 /nfs/dbraw/zinc/06/36/15/636063615.db2.gz AJMCLASSNIHFCN-KOLCDFICSA-N -1 3 244.335 0.942 20 0 BCADHM COC(=O)/C(C)=C/CNc1cc(=O)[n-]cn1 ZINC000895514174 636154121 /nfs/dbraw/zinc/15/41/21/636154121.db2.gz SWNNCCVEWGPDGL-XVNBXDOJSA-N -1 3 223.232 0.713 20 0 BCADHM Cc1nc(N2CCN(C)C(=O)[C@@H]2C)cc(=O)[n-]1 ZINC000893273161 634035278 /nfs/dbraw/zinc/03/52/78/634035278.db2.gz HNNDRLVLBHHYTR-ZETCQYMHSA-N -1 3 236.275 0.158 20 0 BCADHM Cc1n[nH]cc1CCCNc1cc(=O)[n-]cn1 ZINC000162694065 634283449 /nfs/dbraw/zinc/28/34/49/634283449.db2.gz VTVYFJKYANXRNG-UHFFFAOYSA-N -1 3 233.275 0.846 20 0 BCADHM CC[C@@H](C(=O)N[C@](C)(C(=O)[O-])C1CC1)N(C)C ZINC000909325901 634304861 /nfs/dbraw/zinc/30/48/61/634304861.db2.gz UKEDSFNXSKBHDL-CABZTGNLSA-N -1 3 242.319 0.696 20 0 BCADHM CC[C@H](C(=O)N[C@](C)(C(=O)[O-])C1CC1)N(C)C ZINC000909327222 634312200 /nfs/dbraw/zinc/31/22/00/634312200.db2.gz UKEDSFNXSKBHDL-SKDRFNHKSA-N -1 3 242.319 0.696 20 0 BCADHM Cc1nc(N2CC(F)(F)C[C@@H]2CO)cc(=O)[n-]1 ZINC000893364642 634318439 /nfs/dbraw/zinc/31/84/39/634318439.db2.gz ZGNBOYUNKDABBK-SSDOTTSWSA-N -1 3 245.229 0.697 20 0 BCADHM CCCN(CC(=O)N(C)C)c1cc(=O)[n-]cn1 ZINC000162833820 635141004 /nfs/dbraw/zinc/14/10/04/635141004.db2.gz ICBLMOMUCDQBEB-UHFFFAOYSA-N -1 3 238.291 0.075 20 0 BCADHM CN(C(=O)C(C)(C)C(=O)[O-])[C@H]1CCCN(C)C1 ZINC000215093872 635187514 /nfs/dbraw/zinc/18/75/14/635187514.db2.gz MQOPOGWUVITTAF-VIFPVBQESA-N -1 3 242.319 0.650 20 0 BCADHM Cc1cc(N(C)C[C@@H](C)c2nnn[n-]2)nc(C)n1 ZINC000095331634 635294969 /nfs/dbraw/zinc/29/49/69/635294969.db2.gz UQOSGGPJNNAXKY-SSDOTTSWSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1cc(N(C)C[C@@H](C)c2nn[n-]n2)nc(C)n1 ZINC000095331634 635294979 /nfs/dbraw/zinc/29/49/79/635294979.db2.gz UQOSGGPJNNAXKY-SSDOTTSWSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1cc(N(C)C[C@H](C)c2nnn[n-]2)nc(C)n1 ZINC000095331635 635296356 /nfs/dbraw/zinc/29/63/56/635296356.db2.gz UQOSGGPJNNAXKY-ZETCQYMHSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1cc(N(C)C[C@H](C)c2nn[n-]n2)nc(C)n1 ZINC000095331635 635296362 /nfs/dbraw/zinc/29/63/62/635296362.db2.gz UQOSGGPJNNAXKY-ZETCQYMHSA-N -1 3 247.306 0.846 20 0 BCADHM COCCONC(=O)c1c([O-])cccc1O ZINC000220251607 635303095 /nfs/dbraw/zinc/30/30/95/635303095.db2.gz AVHJGZAVKSQZSU-UHFFFAOYSA-N -1 3 227.216 0.406 20 0 BCADHM O=C(CCc1ncc[nH]1)[N-]OCc1ccccn1 ZINC000909542725 636237105 /nfs/dbraw/zinc/23/71/05/636237105.db2.gz XZPZAZJZQVGXBD-UHFFFAOYSA-N -1 3 246.270 0.985 20 0 BCADHM CC(C)[C@H](C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])N(C)C ZINC000909650552 636371789 /nfs/dbraw/zinc/37/17/89/636371789.db2.gz ILIFRYMSUSBFJZ-OPRDCNLKSA-N -1 3 244.335 0.798 20 0 BCADHM CC(C)[C@@H](C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])N(C)C ZINC000909650548 636372155 /nfs/dbraw/zinc/37/21/55/636372155.db2.gz ILIFRYMSUSBFJZ-GUBZILKMSA-N -1 3 244.335 0.798 20 0 BCADHM CC(C)[C@@H](C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])N(C)C ZINC000909650547 636372529 /nfs/dbraw/zinc/37/25/29/636372529.db2.gz ILIFRYMSUSBFJZ-BBBLOLIVSA-N -1 3 244.335 0.798 20 0 BCADHM O[C@@H](CCN=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000897387364 636570447 /nfs/dbraw/zinc/57/04/47/636570447.db2.gz RLNAHKASMMRPNL-VIFPVBQESA-N -1 3 233.275 0.299 20 0 BCADHM COc1cccc([O-])c1C(=O)N1CCOCN1 ZINC000928945897 636602650 /nfs/dbraw/zinc/60/26/50/636602650.db2.gz AJLXYBPLNZFRCN-UHFFFAOYSA-N -1 3 238.243 0.335 20 0 BCADHM CCn1cnc(CNC2(C(=O)[O-])CCC2)c1 ZINC000900031953 637168158 /nfs/dbraw/zinc/16/81/58/637168158.db2.gz DIHYCEQGXPTGAL-UHFFFAOYSA-N -1 3 223.276 1.000 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)C(C)C)n1 ZINC000905251060 637711165 /nfs/dbraw/zinc/71/11/65/637711165.db2.gz ZHGLOSNARGWEMY-UHFFFAOYSA-N -1 3 203.267 0.549 20 0 BCADHM CCc1nnc(S(=O)(=O)C(C)C)[n-]1 ZINC000905251060 637711167 /nfs/dbraw/zinc/71/11/67/637711167.db2.gz ZHGLOSNARGWEMY-UHFFFAOYSA-N -1 3 203.267 0.549 20 0 BCADHM O=C([N-]OCC(F)F)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907382134 638367416 /nfs/dbraw/zinc/36/74/16/638367416.db2.gz SEBZMZAXAFUWFI-FOPMIJGASA-N -1 3 219.187 0.524 20 0 BCADHM O=C(CCF)NCc1nc(C(F)(F)F)n[n-]1 ZINC000907495099 638393060 /nfs/dbraw/zinc/39/30/60/638393060.db2.gz ASXDBCYNOFOGAU-UHFFFAOYSA-N -1 3 240.160 0.799 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@]1(C)C[C@H](O)CN1C ZINC000908349418 638659402 /nfs/dbraw/zinc/65/94/02/638659402.db2.gz SEDVQSYEMXYGRL-NHCYSSNCSA-N -1 3 244.335 0.535 20 0 BCADHM Cc1[n-]nc(Cl)c1C(=O)NOC(C)(C)CO ZINC000908568380 639019478 /nfs/dbraw/zinc/01/94/78/639019478.db2.gz AIIJQRVTWXNYLY-UHFFFAOYSA-N -1 3 247.682 0.804 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000908568623 639019506 /nfs/dbraw/zinc/01/95/06/639019506.db2.gz FMWSBSFGRUJAAK-FTLITQJKSA-N -1 3 227.260 0.030 20 0 BCADHM CN(CC(=O)N(CC(=O)[O-])C1CC1)C1CCC1 ZINC000908893211 639089539 /nfs/dbraw/zinc/08/95/39/639089539.db2.gz MSTPGLFAOVRORI-UHFFFAOYSA-N -1 3 240.303 0.546 20 0 BCADHM O=C(NCCF)c1cc2c(cc1[O-])OCO2 ZINC000437700427 639097927 /nfs/dbraw/zinc/09/79/27/639097927.db2.gz SRAOGBMZACTRLX-UHFFFAOYSA-N -1 3 227.191 0.820 20 0 BCADHM CC(C)N1CCC[C@H]1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000908986500 639115313 /nfs/dbraw/zinc/11/53/13/639115313.db2.gz DHNXEBPVHJIOPR-ZJUUUORDSA-N -1 3 242.319 0.791 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CC1COC1 ZINC000909054874 639133351 /nfs/dbraw/zinc/13/33/51/639133351.db2.gz SGFOFYRFHASQOD-VIFPVBQESA-N -1 3 217.265 0.088 20 0 BCADHM CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000909717895 639211924 /nfs/dbraw/zinc/21/19/24/639211924.db2.gz TXLYGXNHDHCCJR-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM CCC[C@H](CNC(=O)[C@@H](CC)N(C)C)C(=O)[O-] ZINC000909813002 639228689 /nfs/dbraw/zinc/22/86/89/639228689.db2.gz HSBPRMAOISSQRZ-NXEZZACHSA-N -1 3 244.335 0.944 20 0 BCADHM CCC[C@H](CNC(=O)CN(CC)CC)C(=O)[O-] ZINC000909814587 639231418 /nfs/dbraw/zinc/23/14/18/639231418.db2.gz PCJCOEFIHJPUGB-SNVBAGLBSA-N -1 3 244.335 0.945 20 0 BCADHM CCN(CC)CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000909991417 639302096 /nfs/dbraw/zinc/30/20/96/639302096.db2.gz ZJXKPLAOYFJUMT-AOOOYVTPSA-N -1 3 242.319 0.650 20 0 BCADHM COCC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC000910041828 639347470 /nfs/dbraw/zinc/34/74/70/639347470.db2.gz VTSNTYZHTBKCPM-UHFFFAOYSA-N -1 3 247.258 0.375 20 0 BCADHM COCC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC000910041828 639347471 /nfs/dbraw/zinc/34/74/71/639347471.db2.gz VTSNTYZHTBKCPM-UHFFFAOYSA-N -1 3 247.258 0.375 20 0 BCADHM C[C@H]1[C@@H](C(=O)[O-])CCN1c1ccnc(CO)c1 ZINC000910316669 639411818 /nfs/dbraw/zinc/41/18/18/639411818.db2.gz UPGZUYWYRXFFOA-KWQFWETISA-N -1 3 236.271 0.873 20 0 BCADHM O=C(C=C1CCC1)NCCCc1c[n-][nH]c1=O ZINC000912470067 640087310 /nfs/dbraw/zinc/08/73/10/640087310.db2.gz GYAXCPIDWKZPPO-JTQLQIEISA-N -1 3 235.287 0.725 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CCC[C@@H](C)O)C2 ZINC000931313560 640148975 /nfs/dbraw/zinc/14/89/75/640148975.db2.gz LOTQFQFJQWUYOX-MRVPVSSYSA-N -1 3 237.303 0.967 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CC[S@](C)=O)C2 ZINC000931313749 640151825 /nfs/dbraw/zinc/15/18/25/640151825.db2.gz OHMNMGJPXHAZNC-INIZCTEOSA-N -1 3 241.316 0.185 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cnn(C)c1)C2 ZINC000931318848 640154631 /nfs/dbraw/zinc/15/46/31/640154631.db2.gz VMZHZIRKKWPVFB-UHFFFAOYSA-N -1 3 245.286 0.740 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)COC1CC1)C2 ZINC000913294269 640349135 /nfs/dbraw/zinc/34/91/35/640349135.db2.gz JZLNYVSQHCKUCP-UHFFFAOYSA-N -1 3 249.270 0.512 20 0 BCADHM CC(C)n1nnc([N-]C(=O)c2nccs2)n1 ZINC000913485648 640374803 /nfs/dbraw/zinc/37/48/03/640374803.db2.gz BLUQUZZPWQQMJB-UHFFFAOYSA-N -1 3 238.276 0.963 20 0 BCADHM CC(C)C(=O)N[N-]C(=O)c1cc(C2CC2)[nH]n1 ZINC000045144646 640508658 /nfs/dbraw/zinc/50/86/58/640508658.db2.gz KDESLXFGNNINKV-UHFFFAOYSA-N -1 3 236.275 0.704 20 0 BCADHM O=c1cc(NCC2(CCO)CC2)nc[n-]1 ZINC000156833990 640513765 /nfs/dbraw/zinc/51/37/65/640513765.db2.gz LHIGNMBTYIIDNG-UHFFFAOYSA-N -1 3 209.249 0.344 20 0 BCADHM O=c1cc(N[C@@H]2CCCC[C@H]2O)nc[n-]1 ZINC000165252837 640550675 /nfs/dbraw/zinc/55/06/75/640550675.db2.gz JBSFZJONVPWGRX-HTQZYQBOSA-N -1 3 209.249 0.485 20 0 BCADHM C[C@H]1COC[C@@H]1NCc1cc(=O)n2[n-]ccc2n1 ZINC000932489753 640554420 /nfs/dbraw/zinc/55/44/20/640554420.db2.gz SDYHMIICIIJAHR-WPRPVWTQSA-N -1 3 248.286 0.147 20 0 BCADHM Cc1nc(N[C@H](C)C[S@](C)=O)cc(=O)[n-]1 ZINC000165329943 640562619 /nfs/dbraw/zinc/56/26/19/640562619.db2.gz UIKBCFVJRLXQAP-NPMWZIQKSA-N -1 3 229.305 0.670 20 0 BCADHM Cc1nc(N2CCO[C@@H](C)C2)cc(=O)[n-]1 ZINC000165375785 640564497 /nfs/dbraw/zinc/56/44/97/640564497.db2.gz IWKXOPBNDRIMEW-ZETCQYMHSA-N -1 3 209.249 0.716 20 0 BCADHM Cc1nc(N2CCC(O)CC2)cc(=O)[n-]1 ZINC000165370964 640564874 /nfs/dbraw/zinc/56/48/74/640564874.db2.gz SWTWDFAOSBVVPJ-UHFFFAOYSA-N -1 3 209.249 0.452 20 0 BCADHM CCN(CC(=O)NC)c1cc(=O)[n-]c(C)n1 ZINC000165389483 640569042 /nfs/dbraw/zinc/56/90/42/640569042.db2.gz ZAVVGIRHFDFNTI-UHFFFAOYSA-N -1 3 224.264 0.063 20 0 BCADHM Cc1nc(N2CC[C@@H](CO)C2)cc(=O)[n-]1 ZINC000165434102 640579227 /nfs/dbraw/zinc/57/92/27/640579227.db2.gz IZQYBBDPDQGPQN-MRVPVSSYSA-N -1 3 209.249 0.309 20 0 BCADHM CC1(C(=O)[N-]OCC(N)=O)CCCCC1 ZINC000157280459 640662030 /nfs/dbraw/zinc/66/20/30/640662030.db2.gz LEIQACZWMKWIQA-UHFFFAOYSA-N -1 3 214.265 0.490 20 0 BCADHM COc1cc[n-]c(=NNC(=S)NC(C)C)n1 ZINC000046103620 640698037 /nfs/dbraw/zinc/69/80/37/640698037.db2.gz JJOFNHSYOMUVFY-UHFFFAOYSA-N -1 3 241.320 0.685 20 0 BCADHM C=CCNC(=S)NN=c1nc(OC)cc[n-]1 ZINC000046103644 640698075 /nfs/dbraw/zinc/69/80/75/640698075.db2.gz JALKZGNZXCTWLQ-UHFFFAOYSA-N -1 3 239.304 0.462 20 0 BCADHM CN(CC1(O)CCCC1)c1cc(=O)[n-]cn1 ZINC000167196877 640706592 /nfs/dbraw/zinc/70/65/92/640706592.db2.gz FQYPZXNMDONKRA-UHFFFAOYSA-N -1 3 223.276 0.511 20 0 BCADHM CCCN1CC(NC(=O)c2cnc[n-]c2=O)C1 ZINC001030497365 640884089 /nfs/dbraw/zinc/88/40/89/640884089.db2.gz FJXJUTBFXPMNLD-UHFFFAOYSA-N -1 3 236.275 0.006 20 0 BCADHM O=C(NC1CN(CC2CC2)C1)c1cnc[n-]c1=O ZINC001030497328 640884787 /nfs/dbraw/zinc/88/47/87/640884787.db2.gz CCWGXUAIITUGIX-UHFFFAOYSA-N -1 3 248.286 0.006 20 0 BCADHM CCOc1nnc(NC(=O)Cn2cccn2)[n-]1 ZINC000228789748 640895170 /nfs/dbraw/zinc/89/51/70/640895170.db2.gz YSYCMQPRAWWKTJ-UHFFFAOYSA-N -1 3 236.235 0.039 20 0 BCADHM CCOc1nc(NC(=O)Cn2cccn2)n[n-]1 ZINC000228789748 640895173 /nfs/dbraw/zinc/89/51/73/640895173.db2.gz YSYCMQPRAWWKTJ-UHFFFAOYSA-N -1 3 236.235 0.039 20 0 BCADHM CCOc1n[n-]c(NC(=O)Cn2cccn2)n1 ZINC000228789748 640895177 /nfs/dbraw/zinc/89/51/77/640895177.db2.gz YSYCMQPRAWWKTJ-UHFFFAOYSA-N -1 3 236.235 0.039 20 0 BCADHM CSC[C@@](C)(O)CNc1cc(=O)[n-]cn1 ZINC000230151531 641032281 /nfs/dbraw/zinc/03/22/81/641032281.db2.gz XRBKKUZXXZZKMC-VIFPVBQESA-N -1 3 229.305 0.296 20 0 BCADHM C[C@H](C[S@@](C)=O)[N-]C(=O)C(F)(F)C(F)F ZINC000230181662 641035288 /nfs/dbraw/zinc/03/52/88/641035288.db2.gz QTGDXWOXMXYOTI-ZTEZBTDTSA-N -1 3 249.229 0.770 20 0 BCADHM CO[C@@H]1CN(c2cc(=O)[n-]cn2)CC[C@@H]1C ZINC000230377179 641051092 /nfs/dbraw/zinc/05/10/92/641051092.db2.gz HHDHQTNHEDAQAH-DTWKUNHWSA-N -1 3 223.276 0.631 20 0 BCADHM Cc1nc(NCCc2ccnn2C)cc(=O)[n-]1 ZINC000230790125 641096108 /nfs/dbraw/zinc/09/61/08/641096108.db2.gz OBZSBSLMLLFHEQ-UHFFFAOYSA-N -1 3 233.275 0.879 20 0 BCADHM COCCO[N-]C(=O)CC(C)(C)OC ZINC000230940087 641118451 /nfs/dbraw/zinc/11/84/51/641118451.db2.gz YNNWXBQZCPQFNF-UHFFFAOYSA-N -1 3 205.254 0.496 20 0 BCADHM C[C@@H]1CSCCCN1Cc1nc(=O)n(C)[n-]1 ZINC000934302759 641123090 /nfs/dbraw/zinc/12/30/90/641123090.db2.gz GJDOACSQCUQNBS-MRVPVSSYSA-N -1 3 242.348 0.436 20 0 BCADHM CC(C)[C@H](CCO)Nc1cc(=O)[n-]cn1 ZINC000231087089 641134256 /nfs/dbraw/zinc/13/42/56/641134256.db2.gz GFAGHHBZHIINKM-QMMMGPOBSA-N -1 3 211.265 0.589 20 0 BCADHM CNC(=O)CN(C)Cc1ccc([O-])c(F)c1 ZINC000232449638 641273312 /nfs/dbraw/zinc/27/33/12/641273312.db2.gz UWAYIKHKPMBJCO-UHFFFAOYSA-N -1 3 226.251 0.709 20 0 BCADHM CCCN(C)CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000730284997 641365346 /nfs/dbraw/zinc/36/53/46/641365346.db2.gz XMBGBOIWLZGQEL-LLVKDONJSA-N -1 3 230.308 0.903 20 0 BCADHM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)[N-]OCCO ZINC000935457484 641412342 /nfs/dbraw/zinc/41/23/42/641412342.db2.gz XNWBGHWQKDPASE-UWVGGRQHSA-N -1 3 229.276 0.374 20 0 BCADHM O=C(C[C@@H]1CC[C@H](C2CC2)O1)[N-]OCCO ZINC000935457485 641412837 /nfs/dbraw/zinc/41/28/37/641412837.db2.gz XNWBGHWQKDPASE-VHSXEESVSA-N -1 3 229.276 0.374 20 0 BCADHM COCCCO[N-]C(=O)CC1(C)COC1 ZINC000935965939 641508152 /nfs/dbraw/zinc/50/81/52/641508152.db2.gz JQZXEBSJALLVTB-UHFFFAOYSA-N -1 3 217.265 0.497 20 0 BCADHM CCO[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000159326456 641677769 /nfs/dbraw/zinc/67/77/69/641677769.db2.gz JYCTWWDKBZFHQM-QMMMGPOBSA-N -1 3 218.322 0.491 20 0 BCADHM O=C(CC[C@H]1CCOC1)[N-]OC[C@@H]1CCOC1 ZINC000189257277 641796664 /nfs/dbraw/zinc/79/66/64/641796664.db2.gz ZJUCXFIERRSHPV-WDEREUQCSA-N -1 3 243.303 0.887 20 0 BCADHM CC(C)(CO)CSCCc1nnn[n-]1 ZINC000917858728 642134478 /nfs/dbraw/zinc/13/44/78/642134478.db2.gz KDSSKFITPJXGRR-UHFFFAOYSA-N -1 3 216.310 0.494 20 0 BCADHM CC(C)(CO)CSCCc1nn[n-]n1 ZINC000917858728 642134482 /nfs/dbraw/zinc/13/44/82/642134482.db2.gz KDSSKFITPJXGRR-UHFFFAOYSA-N -1 3 216.310 0.494 20 0 BCADHM CC(=O)OCCSCCc1nnn[n-]1 ZINC000917859069 642137088 /nfs/dbraw/zinc/13/70/88/642137088.db2.gz NABUFHIJBXIVCB-UHFFFAOYSA-N -1 3 216.266 0.039 20 0 BCADHM CC(=O)OCCSCCc1nn[n-]n1 ZINC000917859069 642137099 /nfs/dbraw/zinc/13/70/99/642137099.db2.gz NABUFHIJBXIVCB-UHFFFAOYSA-N -1 3 216.266 0.039 20 0 BCADHM CSCCC(=O)[N-]OCC(C)(C)O ZINC000308202981 642495272 /nfs/dbraw/zinc/49/52/72/642495272.db2.gz ANMKORXUHDYCNQ-UHFFFAOYSA-N -1 3 207.295 0.558 20 0 BCADHM CN1CC[C@H]1C[N-]S(=O)(=O)c1cscn1 ZINC000921411896 642612313 /nfs/dbraw/zinc/61/23/13/642612313.db2.gz BAYLXCFECSHBEB-ZETCQYMHSA-N -1 3 247.345 0.126 20 0 BCADHM CN1CC[C@H]1C[N-]S(=O)(=O)c1ccco1 ZINC000921413147 642612846 /nfs/dbraw/zinc/61/28/46/642612846.db2.gz FIQHTHALVFTFSD-QMMMGPOBSA-N -1 3 230.289 0.262 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H]1COC[C@@H]1C ZINC000921498537 642925518 /nfs/dbraw/zinc/92/55/18/642925518.db2.gz ILIQRMLPJQRGIN-XPUUQOCRSA-N -1 3 246.288 0.296 20 0 BCADHM CCONC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000070273649 643010907 /nfs/dbraw/zinc/01/09/07/643010907.db2.gz YDQPKQJLENOHRV-UHFFFAOYSA-N -1 3 239.275 0.387 20 0 BCADHM O=S(=O)(CCC1CC1)[N-]N=c1nccc[nH]1 ZINC000092261140 643115498 /nfs/dbraw/zinc/11/54/98/643115498.db2.gz CKUSANLYTLADAH-UHFFFAOYSA-N -1 3 242.304 0.523 20 0 BCADHM CCOCCO[N-]C(=O)CC[C@H]1CCOC1 ZINC000184776290 643234129 /nfs/dbraw/zinc/23/41/29/643234129.db2.gz JYLMGEVVFNHXTG-JTQLQIEISA-N -1 3 231.292 0.887 20 0 BCADHM CCOCCO[N-]C(=O)C1(CCOC)CC1 ZINC000184816537 643240290 /nfs/dbraw/zinc/24/02/90/643240290.db2.gz WFDAGOVYMJLJAO-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM CCOCCO[N-]C(=O)CC1CCOCC1 ZINC000184822190 643243370 /nfs/dbraw/zinc/24/33/70/643243370.db2.gz SNSCZDFOXKDJKA-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM C#CCCNC(=O)NN=c1cccn[n-]1 ZINC000077665261 643268502 /nfs/dbraw/zinc/26/85/02/643268502.db2.gz WNIVFBGVHMLLNK-UHFFFAOYSA-N -1 3 205.221 0.126 20 0 BCADHM N#CC1(NC(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000094150816 643338371 /nfs/dbraw/zinc/33/83/71/643338371.db2.gz QTVUWRJGXLOHDG-UHFFFAOYSA-N -1 3 246.222 0.907 20 0 BCADHM COCCO[N-]C(=O)Cc1cnn2ccccc12 ZINC000843814372 643378849 /nfs/dbraw/zinc/37/88/49/643378849.db2.gz JNRCLODTCVYBNB-UHFFFAOYSA-N -1 3 249.270 0.571 20 0 BCADHM NC(=O)CO[N-]C(=O)c1c(F)ccc(F)c1F ZINC000186054514 643432983 /nfs/dbraw/zinc/43/29/83/643432983.db2.gz TXYSPPGVVFZOBD-UHFFFAOYSA-N -1 3 248.160 0.251 20 0 BCADHM CCO[N-]C(=O)[C@H]1CNCc2ccccc21 ZINC000083643669 643603101 /nfs/dbraw/zinc/60/31/01/643603101.db2.gz NDMGERNCPFBCOD-NSHDSACASA-N -1 3 220.272 0.941 20 0 BCADHM CCO[N-]C(=O)CNCc1ccoc1C ZINC000846085195 643634106 /nfs/dbraw/zinc/63/41/06/643634106.db2.gz XMVLOHWETKOQOF-UHFFFAOYSA-N -1 3 212.249 0.745 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CC=C[C@@H]1CO ZINC000922275039 643945847 /nfs/dbraw/zinc/94/58/47/643945847.db2.gz RKUMLXLNLDBEGV-MRVPVSSYSA-N -1 3 235.239 0.471 20 0 BCADHM CC[C@H](C)[C@@H](OC(=O)c1cnn[n-]1)C(=O)OC ZINC000922731109 644081028 /nfs/dbraw/zinc/08/10/28/644081028.db2.gz LJHFRCNABKTYKL-POYBYMJQSA-N -1 3 241.247 0.549 20 0 BCADHM CC[C@H](C)[C@@H](OC(=O)c1c[n-]nn1)C(=O)OC ZINC000922731109 644081031 /nfs/dbraw/zinc/08/10/31/644081031.db2.gz LJHFRCNABKTYKL-POYBYMJQSA-N -1 3 241.247 0.549 20 0 BCADHM CO[N-]C(=O)CNCc1cc(OC)ccc1F ZINC000922828641 644104627 /nfs/dbraw/zinc/10/46/27/644104627.db2.gz ZGSLOMRSHXJVIH-UHFFFAOYSA-N -1 3 242.250 0.602 20 0 BCADHM CO[N-]C(=O)CNCc1scnc1C ZINC000922830269 644114766 /nfs/dbraw/zinc/11/47/66/644114766.db2.gz KULGJJVMCNEEFH-UHFFFAOYSA-N -1 3 215.278 0.219 20 0 BCADHM CO[N-]C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000086436910 644132036 /nfs/dbraw/zinc/13/20/36/644132036.db2.gz OMNAABWGHIZSAY-JTQLQIEISA-N -1 3 233.271 0.715 20 0 BCADHM O=C([O-])CN1CCOc2ccccc2[C@H]1CO ZINC000923275063 644308843 /nfs/dbraw/zinc/30/88/43/644308843.db2.gz YKKVZHXJJFGMNT-SNVBAGLBSA-N -1 3 237.255 0.499 20 0 BCADHM O=C(N[C@]12C[C@H]1COC2)c1cccc2n[n-]nc21 ZINC000923360863 644386306 /nfs/dbraw/zinc/38/63/06/644386306.db2.gz FWSFWKSWLBMODF-MADCSZMMSA-N -1 3 244.254 0.477 20 0 BCADHM COC(=O)[C@H](C)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923528109 644485163 /nfs/dbraw/zinc/48/51/63/644485163.db2.gz ALFDMAZFNPWHQK-UJNFCWOMSA-N -1 3 241.287 0.591 20 0 BCADHM CCc1ccc(CC(=O)[N-]OCC(N)=O)cc1 ZINC000089462557 644550867 /nfs/dbraw/zinc/55/08/67/644550867.db2.gz KXRVJTMWCNQVRG-UHFFFAOYSA-N -1 3 236.271 0.325 20 0 BCADHM CC(C)(C(=O)[N-]OCC(N)=O)C1CCCC1 ZINC000089462497 644551937 /nfs/dbraw/zinc/55/19/37/644551937.db2.gz OAKNWERIWGBMSE-UHFFFAOYSA-N -1 3 228.292 0.736 20 0 BCADHM O=C(Cc1cccnc1)[N-]OCC(F)F ZINC000759336877 644639431 /nfs/dbraw/zinc/63/94/31/644639431.db2.gz ZBPJASCLBPGCAM-UHFFFAOYSA-N -1 3 216.187 0.937 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]OCC(F)F ZINC000760151238 644646818 /nfs/dbraw/zinc/64/68/18/644646818.db2.gz PZWWIMNAFWEOKI-LURJTMIESA-N -1 3 211.208 0.850 20 0 BCADHM CC[C@H](OC(=O)c1cncc([O-])c1)C(=O)OC ZINC000762825771 644651656 /nfs/dbraw/zinc/65/16/56/644651656.db2.gz ZIAGJHFFGDCCJP-VIFPVBQESA-N -1 3 239.227 0.896 20 0 BCADHM O=C(Nc1cc(Cl)[nH]n1)c1cn[n-]n1 ZINC000765031676 644659332 /nfs/dbraw/zinc/65/93/32/644659332.db2.gz YRMAOQGYRMUNQK-UHFFFAOYSA-N -1 3 212.600 0.434 20 0 BCADHM O=C(O[C@@H]1CCCNC1=O)c1cncc([O-])c1 ZINC000767344832 644674132 /nfs/dbraw/zinc/67/41/32/644674132.db2.gz GWBTVICDAZUYIS-SECBINFHSA-N -1 3 236.227 0.223 20 0 BCADHM CS(=O)(=O)CCCC(=O)[N-]OC1CCCC1 ZINC000774867207 644699010 /nfs/dbraw/zinc/69/90/10/644699010.db2.gz FPPNEMDCLVWTGC-UHFFFAOYSA-N -1 3 249.332 0.802 20 0 BCADHM CC1(C)CN(c2cc(=O)[n-]cn2)CC[C@@H]1O ZINC000304479344 644908608 /nfs/dbraw/zinc/90/86/08/644908608.db2.gz BPKRRNKOMSIOEZ-QMMMGPOBSA-N -1 3 223.276 0.779 20 0 BCADHM CC[C@@H](C(=O)[N-]OCC1CC1)N(C)C ZINC000817368666 644976938 /nfs/dbraw/zinc/97/69/38/644976938.db2.gz YFCXNNKXXMRAIZ-VIFPVBQESA-N -1 3 200.282 0.784 20 0 BCADHM CC[C@H](C(=O)[N-]OCC1CC1)N(C)C ZINC000817368665 644977317 /nfs/dbraw/zinc/97/73/17/644977317.db2.gz YFCXNNKXXMRAIZ-SECBINFHSA-N -1 3 200.282 0.784 20 0 BCADHM NC(=O)NCCCCC(=O)[N-]OCC1CC1 ZINC000817372983 644977981 /nfs/dbraw/zinc/97/79/81/644977981.db2.gz QQKYXVQJEAHLOI-UHFFFAOYSA-N -1 3 229.280 0.283 20 0 BCADHM C[C@@]1(NC(=O)c2ccc(N)cc2[O-])CCOC1 ZINC000817984356 644994606 /nfs/dbraw/zinc/99/46/06/644994606.db2.gz QYRHAOWDOOQDSA-GFCCVEGCSA-N -1 3 236.271 0.883 20 0 BCADHM C[C@H](F)CC[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867308134 645255597 /nfs/dbraw/zinc/25/55/97/645255597.db2.gz FKUVFISJCOFFFS-LURJTMIESA-N -1 3 246.329 0.297 20 0 BCADHM COC/C(C)=C\C(=O)NCc1ncccc1[O-] ZINC000846053988 645393385 /nfs/dbraw/zinc/39/33/85/645393385.db2.gz ZURXBBIGMSXJOC-TWGQIWQCSA-N -1 3 236.271 0.996 20 0 BCADHM Cc1nonc1CC(=O)NCc1ncccc1[O-] ZINC000846051343 645394110 /nfs/dbraw/zinc/39/41/10/645394110.db2.gz CPMPYMLMUSXFHP-UHFFFAOYSA-N -1 3 248.242 0.338 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc2c(n1)CCC2 ZINC000846091330 645400538 /nfs/dbraw/zinc/40/05/38/645400538.db2.gz LDADEJWOYACLQF-UHFFFAOYSA-N -1 3 249.314 0.728 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc(C)o1 ZINC000846091820 645401533 /nfs/dbraw/zinc/40/15/33/645401533.db2.gz WRYXYBDEZLMALT-UHFFFAOYSA-N -1 3 212.249 0.745 20 0 BCADHM CC(C)[S@@](C)(=O)=NC(=O)c1nc[n-]n1 ZINC000926061407 646569212 /nfs/dbraw/zinc/56/92/12/646569212.db2.gz UJZJHLRBUXTSEN-CQSZACIVSA-N -1 3 216.266 0.451 20 0 BCADHM CC(F)(F)C(=O)[N-]CC(F)(F)CN ZINC000382239464 711665428 /nfs/dbraw/zinc/66/54/28/711665428.db2.gz RICJQUWJNFBXEA-UHFFFAOYSA-N -1 3 202.151 0.352 20 0 BCADHM COC[C@@H](CN1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC000721856790 711791595 /nfs/dbraw/zinc/79/15/95/711791595.db2.gz AEQOUQBQRVDKHA-MNOVXSKESA-N -1 3 245.319 0.690 20 0 BCADHM CCOc1nnc(NC(=O)[C@@]2(C)CCCO2)[n-]1 ZINC000228777874 711836612 /nfs/dbraw/zinc/83/66/12/711836612.db2.gz WVTWZIZGEKVUIV-SNVBAGLBSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1nc(NC(=O)[C@@]2(C)CCCO2)n[n-]1 ZINC000228777874 711836613 /nfs/dbraw/zinc/83/66/13/711836613.db2.gz WVTWZIZGEKVUIV-SNVBAGLBSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@]2(C)CCCO2)n1 ZINC000228777874 711836615 /nfs/dbraw/zinc/83/66/15/711836615.db2.gz WVTWZIZGEKVUIV-SNVBAGLBSA-N -1 3 240.263 0.711 20 0 BCADHM C[C@H]1CCN(c2cc(=O)[n-]cn2)C[C@@H]1CO ZINC000700418797 711993040 /nfs/dbraw/zinc/99/30/40/711993040.db2.gz NTTRMTLBESLGIP-DTWKUNHWSA-N -1 3 223.276 0.637 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2CC(OC)C2)n1 ZINC000703293151 712070900 /nfs/dbraw/zinc/07/09/00/712070900.db2.gz LEQZQRAKZAVWMB-UHFFFAOYSA-N -1 3 240.263 0.567 20 0 BCADHM CN1CCC[C@H](Nc2cc(=O)[n-]cn2)C1=O ZINC000704385353 712105721 /nfs/dbraw/zinc/10/57/21/712105721.db2.gz GQMVEGMUELIDIM-ZETCQYMHSA-N -1 3 222.248 0.215 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H](CO)[C@@H](C)O ZINC000706552099 712150173 /nfs/dbraw/zinc/15/01/73/712150173.db2.gz BWHKCGRJGNJDQO-RKDXNWHRSA-N -1 3 239.271 0.172 20 0 BCADHM O=c1cc(N2CC[C@@]3(CCOC3)C2)nc[n-]1 ZINC000707348287 712168204 /nfs/dbraw/zinc/16/82/04/712168204.db2.gz ZSFIXGJNGSUDTJ-LLVKDONJSA-N -1 3 221.260 0.799 20 0 BCADHM CCN1CC[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000710183684 712247714 /nfs/dbraw/zinc/24/77/14/712247714.db2.gz HKTBFANHOOOTNN-ZCFIWIBFSA-N -1 3 210.199 0.759 20 0 BCADHM CO[C@H]1CN(CCOC2CC2)[C@](C)(C(=O)[O-])C1 ZINC000711750914 712323929 /nfs/dbraw/zinc/32/39/29/712323929.db2.gz BWMGPZPNDIQLIG-PWSUYJOCSA-N -1 3 243.303 0.729 20 0 BCADHM CO[C@@H](C)CC(=O)[N-]OCCSC ZINC000379398428 712382665 /nfs/dbraw/zinc/38/26/65/712382665.db2.gz FQPIGFXGHKROMR-ZETCQYMHSA-N -1 3 207.295 0.822 20 0 BCADHM CC(C)Cc1nc(=NCC[S@@](C)=O)s[n-]1 ZINC000380170358 712705610 /nfs/dbraw/zinc/70/56/10/712705610.db2.gz DKUQILQNJAENBX-OAHLLOKOSA-N -1 3 247.389 0.949 20 0 BCADHM CC(=O)N1CCC[C@@H](C(=O)[N-]OC(C)C)C1 ZINC000382158308 710800844 /nfs/dbraw/zinc/80/08/44/710800844.db2.gz HCGLFOCYJGSVQU-SNVBAGLBSA-N -1 3 228.292 0.701 20 0 BCADHM Cc1nnsc1CNc1cc(=O)[n-]cn1 ZINC000384202770 710823613 /nfs/dbraw/zinc/82/36/13/710823613.db2.gz BFHCRROKMBPOCN-UHFFFAOYSA-N -1 3 223.261 0.954 20 0 BCADHM Cc1nc(N[C@@H]2CCNC(=O)CC2)cc(=O)[n-]1 ZINC000396681224 710906871 /nfs/dbraw/zinc/90/68/71/710906871.db2.gz WPUDLTJTVORISS-QMMMGPOBSA-N -1 3 236.275 0.571 20 0 BCADHM O=C([O-])c1cncnc1N[C@H]1CCN(C2CC2)C1 ZINC000384549402 710916226 /nfs/dbraw/zinc/91/62/26/710916226.db2.gz NVZCBBWTHPOZFO-QMMMGPOBSA-N -1 3 248.286 0.823 20 0 BCADHM C[S@](=O)C1(CNc2cc(=O)[n-]cn2)CCC1 ZINC000393704331 711170586 /nfs/dbraw/zinc/17/05/86/711170586.db2.gz MQGDDMQVBHLCSE-INIZCTEOSA-N -1 3 241.316 0.895 20 0 BCADHM C[C@H]1C[C@@H](CO)CN(c2cc(=O)[n-]cn2)C1 ZINC000398631173 711412995 /nfs/dbraw/zinc/41/29/95/711412995.db2.gz PFFWWFJMVFGDGS-DTWKUNHWSA-N -1 3 223.276 0.637 20 0 BCADHM Cc1nc(N2C[C@H](C)C[C@H](CO)C2)cc(=O)[n-]1 ZINC000398737260 711414836 /nfs/dbraw/zinc/41/48/36/711414836.db2.gz VARATPRPKIZICC-SCZZXKLOSA-N -1 3 237.303 0.945 20 0 BCADHM CS(=O)(=O)CCNC(=O)c1ccccc1[O-] ZINC000037506370 711481247 /nfs/dbraw/zinc/48/12/47/711481247.db2.gz CKVULENWJGBXLD-UHFFFAOYSA-N -1 3 243.284 0.167 20 0 BCADHM O=c1cc(N2CC[C@@H]3OCC[C@@H]3C2)nc[n-]1 ZINC000724828534 711616879 /nfs/dbraw/zinc/61/68/79/711616879.db2.gz DFXPCJQLGKLIGZ-BDAKNGLRSA-N -1 3 221.260 0.797 20 0 BCADHM Cc1nc(N2C[C@H](CO)OC[C@@H]2C)cc(=O)[n-]1 ZINC000164633731 711682532 /nfs/dbraw/zinc/68/25/32/711682532.db2.gz LUOJVDSPEGCFTQ-IONNQARKSA-N -1 3 239.275 0.077 20 0 BCADHM Cc1[n-]nc(Cl)c1C(=O)NOCCO ZINC000907483726 711815813 /nfs/dbraw/zinc/81/58/13/711815813.db2.gz BGFRFOPSYNURKE-UHFFFAOYSA-N -1 3 219.628 0.025 20 0 BCADHM CC(C)(C(=O)Nc1nnn[n-]1)N1CCCCC1 ZINC000906730319 711814144 /nfs/dbraw/zinc/81/41/44/711814144.db2.gz NCBLBUBQMBGXEC-UHFFFAOYSA-N -1 3 238.295 0.403 20 0 BCADHM CC(C)(C(=O)Nc1nn[n-]n1)N1CCCCC1 ZINC000906730319 711814145 /nfs/dbraw/zinc/81/41/45/711814145.db2.gz NCBLBUBQMBGXEC-UHFFFAOYSA-N -1 3 238.295 0.403 20 0 BCADHM CN(c1nc(C(=O)[O-])co1)[C@@H]1CCCN(C)C1 ZINC000228310545 711834514 /nfs/dbraw/zinc/83/45/14/711834514.db2.gz POWCUZGROVNGCO-MRVPVSSYSA-N -1 3 239.275 0.903 20 0 BCADHM O=C(c1ncccc1[O-])N1CC[C@@H](N2CCC2)C1 ZINC000702302913 712044375 /nfs/dbraw/zinc/04/43/75/712044375.db2.gz VTJGULOCMKPKKL-SNVBAGLBSA-N -1 3 247.298 0.707 20 0 BCADHM CO[N-]C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000702426768 712052203 /nfs/dbraw/zinc/05/22/03/712052203.db2.gz QSBINCLNRWZKNG-LLVKDONJSA-N -1 3 237.303 0.123 20 0 BCADHM CC[C@@H](C)C[C@H](N)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000703174214 712067499 /nfs/dbraw/zinc/06/74/99/712067499.db2.gz OXRHBASDHOKKRK-KYXWUPHJSA-N -1 3 242.319 0.729 20 0 BCADHM CCOc1nnc(NC(=O)C2CC(OC)C2)[n-]1 ZINC000703293151 712070896 /nfs/dbraw/zinc/07/08/96/712070896.db2.gz LEQZQRAKZAVWMB-UHFFFAOYSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)C2CC(OC)C2)n[n-]1 ZINC000703293151 712070898 /nfs/dbraw/zinc/07/08/98/712070898.db2.gz LEQZQRAKZAVWMB-UHFFFAOYSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CC23CC3)[n-]1 ZINC000705175927 712125766 /nfs/dbraw/zinc/12/57/66/712125766.db2.gz CIQPTXDSJISOPL-LURJTMIESA-N -1 3 222.248 0.942 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CC23CC3)n[n-]1 ZINC000705175927 712125767 /nfs/dbraw/zinc/12/57/67/712125767.db2.gz CIQPTXDSJISOPL-LURJTMIESA-N -1 3 222.248 0.942 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CC23CC3)n1 ZINC000705175927 712125768 /nfs/dbraw/zinc/12/57/68/712125768.db2.gz CIQPTXDSJISOPL-LURJTMIESA-N -1 3 222.248 0.942 20 0 BCADHM CN1CC[C@@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC000712284359 712394007 /nfs/dbraw/zinc/39/40/07/712394007.db2.gz NKNMQZLXZDPLSU-MRVPVSSYSA-N -1 3 236.271 0.532 20 0 BCADHM CCO[N-]C(=O)C[C@H](C)CC(=O)OC ZINC000809560703 712584474 /nfs/dbraw/zinc/58/44/74/712584474.db2.gz PYRGENAMWMZYAT-ZETCQYMHSA-N -1 3 203.238 0.643 20 0 BCADHM COCCN(C)C(=O)c1ccc(N)cc1[O-] ZINC000827474231 712593444 /nfs/dbraw/zinc/59/34/44/712593444.db2.gz VZWLKOWDOAGKOR-UHFFFAOYSA-N -1 3 224.260 0.693 20 0 BCADHM O=C([N-]C/C=C\CO)C(F)(F)C(F)F ZINC000717518584 712660152 /nfs/dbraw/zinc/66/01/52/712660152.db2.gz TYFSYWNASVYUHM-UPHRSURJSA-N -1 3 215.146 0.552 20 0 BCADHM Cc1nnc(CNc2cc(=O)[n-]cn2)o1 ZINC000718899581 712787487 /nfs/dbraw/zinc/78/74/87/712787487.db2.gz UBJNTQOKLSBWCC-UHFFFAOYSA-N -1 3 207.193 0.486 20 0 BCADHM C[C@H]1[C@@H](Nc2nc(C(=O)[O-])co2)CCN1C ZINC000719475556 712808235 /nfs/dbraw/zinc/80/82/35/712808235.db2.gz RGYKTCPLBYUBJS-BQBZGAKWSA-N -1 3 225.248 0.877 20 0 BCADHM CCC(CC)(CCO)NCc1nc(=O)n(C)[n-]1 ZINC000338378913 168321489 /nfs/dbraw/zinc/32/14/89/168321489.db2.gz WFPXEYKJWHTXDD-UHFFFAOYSA-N -1 3 242.323 0.139 20 0 BCADHM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000389881436 398146393 /nfs/dbraw/zinc/14/63/93/398146393.db2.gz OLRKSPRSOXSZIU-NKWVEPMBSA-N -1 3 247.345 0.582 20 0 BCADHM O=C(N[C@@H]1CCCOCC1)c1c[n-]nn1 ZINC000308826718 136216735 /nfs/dbraw/zinc/21/67/35/136216735.db2.gz IBXQRZZGQOQOIC-SSDOTTSWSA-N -1 3 210.237 0.104 20 0 BCADHM O=C(N[C@@H]1CCCOCC1)c1cnn[n-]1 ZINC000308826718 136216736 /nfs/dbraw/zinc/21/67/36/136216736.db2.gz IBXQRZZGQOQOIC-SSDOTTSWSA-N -1 3 210.237 0.104 20 0 BCADHM O=C(N[C@@H]1CCCOCC1)c1cn[n-]n1 ZINC000308826718 136216737 /nfs/dbraw/zinc/21/67/37/136216737.db2.gz IBXQRZZGQOQOIC-SSDOTTSWSA-N -1 3 210.237 0.104 20 0 BCADHM O=C(N[C@H]1CCCOCC1)c1c[n-]nn1 ZINC000308826720 136216772 /nfs/dbraw/zinc/21/67/72/136216772.db2.gz IBXQRZZGQOQOIC-ZETCQYMHSA-N -1 3 210.237 0.104 20 0 BCADHM O=C(N[C@H]1CCCOCC1)c1cnn[n-]1 ZINC000308826720 136216773 /nfs/dbraw/zinc/21/67/73/136216773.db2.gz IBXQRZZGQOQOIC-ZETCQYMHSA-N -1 3 210.237 0.104 20 0 BCADHM O=C(N[C@H]1CCCOCC1)c1cn[n-]n1 ZINC000308826720 136216774 /nfs/dbraw/zinc/21/67/74/136216774.db2.gz IBXQRZZGQOQOIC-ZETCQYMHSA-N -1 3 210.237 0.104 20 0 BCADHM C[C@@H]1C[C@H](N(C)C(=O)C(=O)[O-])CCN1C ZINC000336748666 398199183 /nfs/dbraw/zinc/19/91/83/398199183.db2.gz DMAKOPALXFPAEQ-HTQZYQBOSA-N -1 3 214.265 0.012 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCSCC1 ZINC000561161478 322996353 /nfs/dbraw/zinc/99/63/53/322996353.db2.gz DWJPGLAUPVVGAU-UHFFFAOYSA-N -1 3 238.312 0.905 20 0 BCADHM Cc1cc(NC(=O)[N-]c2ncnn2C)n[nH]1 ZINC000192285551 178141888 /nfs/dbraw/zinc/14/18/88/178141888.db2.gz NSCRFOGAZDZUBN-UHFFFAOYSA-N -1 3 221.224 0.491 20 0 BCADHM Cc1cc(NC(=O)c2cnn[n-]2)nn1C ZINC000300760566 178149054 /nfs/dbraw/zinc/14/90/54/178149054.db2.gz JVFASDOFUAELRE-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM Cc1cc(NC(=O)c2c[n-]nn2)nn1C ZINC000300760566 178149056 /nfs/dbraw/zinc/14/90/56/178149056.db2.gz JVFASDOFUAELRE-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM Cc1cc(NC(=O)c2cn[n-]n2)nn1C ZINC000300760566 178149058 /nfs/dbraw/zinc/14/90/58/178149058.db2.gz JVFASDOFUAELRE-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N(C)C[C@H](C)O)n1 ZINC000248743009 178202280 /nfs/dbraw/zinc/20/22/80/178202280.db2.gz MLFCMTDKFAJUOC-IUCAKERBSA-N -1 3 225.292 0.864 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N(C)C[C@@H](C)O)n1 ZINC000192602021 178202451 /nfs/dbraw/zinc/20/24/51/178202451.db2.gz MLFCMTDKFAJUOC-BDAKNGLRSA-N -1 3 225.292 0.864 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)SC[C@@H](O)CO)n1 ZINC000121791305 178202764 /nfs/dbraw/zinc/20/27/64/178202764.db2.gz QXOYAVSPVKEHNZ-YUMQZZPRSA-N -1 3 244.316 0.638 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2nc[nH]n2)n1 ZINC000192616153 178202892 /nfs/dbraw/zinc/20/28/92/178202892.db2.gz KPBCINUNFRARKW-MRVPVSSYSA-N -1 3 248.290 0.802 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2nnc[nH]2)n1 ZINC000192616153 178202895 /nfs/dbraw/zinc/20/28/95/178202895.db2.gz KPBCINUNFRARKW-MRVPVSSYSA-N -1 3 248.290 0.802 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](CO)C2)n1 ZINC000192600034 178203346 /nfs/dbraw/zinc/20/33/46/178203346.db2.gz SQAOVUJQLWDXQU-ZJUUUORDSA-N -1 3 237.303 0.866 20 0 BCADHM COc1nc(NC(=O)Cc2cscn2)n[n-]1 ZINC000613194924 398235767 /nfs/dbraw/zinc/23/57/67/398235767.db2.gz AKHZMCKMTBYIRF-UHFFFAOYSA-N -1 3 239.260 0.451 20 0 BCADHM COc1nnc(NC(=O)Cc2cscn2)[n-]1 ZINC000613194924 398235769 /nfs/dbraw/zinc/23/57/69/398235769.db2.gz AKHZMCKMTBYIRF-UHFFFAOYSA-N -1 3 239.260 0.451 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2cscn2)n1 ZINC000613194924 398235771 /nfs/dbraw/zinc/23/57/71/398235771.db2.gz AKHZMCKMTBYIRF-UHFFFAOYSA-N -1 3 239.260 0.451 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCCn2cnnc2)c1 ZINC000381271102 398249865 /nfs/dbraw/zinc/24/98/65/398249865.db2.gz HUTDCJUCNPNSCD-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM CN1C[C@@H](C(=O)Nc2ncccc2[O-])CC1=O ZINC000192765323 398250192 /nfs/dbraw/zinc/25/01/92/398250192.db2.gz SEKRTFKUQGVFDL-ZETCQYMHSA-N -1 3 235.243 0.204 20 0 BCADHM CC[C@H](COC)NC(=O)c1cc(=O)[n-]cn1 ZINC000625748163 398252977 /nfs/dbraw/zinc/25/29/77/398252977.db2.gz VSHCRYZHTKOZIV-SSDOTTSWSA-N -1 3 225.248 0.337 20 0 BCADHM Cc1nn(C)cc1CNCc1cnc(C)[n-]c1=O ZINC000344357113 136231636 /nfs/dbraw/zinc/23/16/36/136231636.db2.gz MWTRROYNTSMZTR-UHFFFAOYSA-N -1 3 247.302 0.822 20 0 BCADHM CCCCN(C)CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000649461969 398263352 /nfs/dbraw/zinc/26/33/52/398263352.db2.gz UVKCGCGUVHINOK-NXEZZACHSA-N -1 3 242.319 0.555 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1O)c1cccc2nn[n-]c21 ZINC000188563972 346822393 /nfs/dbraw/zinc/82/23/93/346822393.db2.gz JUMPDCRQDMWKHX-PSASIEDQSA-N -1 3 246.270 0.601 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1O)c1cccc2[n-]nnc21 ZINC000188563972 346822397 /nfs/dbraw/zinc/82/23/97/346822397.db2.gz JUMPDCRQDMWKHX-PSASIEDQSA-N -1 3 246.270 0.601 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1O)c1cccc2n[n-]nc21 ZINC000188563972 346822401 /nfs/dbraw/zinc/82/24/01/346822401.db2.gz JUMPDCRQDMWKHX-PSASIEDQSA-N -1 3 246.270 0.601 20 0 BCADHM Cc1ccc(C(=O)N2CCNC(=O)[C@H]2C)c([O-])c1 ZINC000104433467 178391690 /nfs/dbraw/zinc/39/16/90/178391690.db2.gz CCZFPWDNHCGKNA-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM CC[C@@](C)(CO)NC(=O)c1cccc2nn[n-]c21 ZINC000188644315 346827678 /nfs/dbraw/zinc/82/76/78/346827678.db2.gz DBUJKEVVUSIOQP-LBPRGKRZSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@](C)(CO)NC(=O)c1cccc2[n-]nnc21 ZINC000188644315 346827681 /nfs/dbraw/zinc/82/76/81/346827681.db2.gz DBUJKEVVUSIOQP-LBPRGKRZSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@](C)(CO)NC(=O)c1cccc2n[n-]nc21 ZINC000188644315 346827685 /nfs/dbraw/zinc/82/76/85/346827685.db2.gz DBUJKEVVUSIOQP-LBPRGKRZSA-N -1 3 248.286 0.849 20 0 BCADHM Cc1ccc(C(=O)N2CC[C@@H](O)C2)c([O-])c1 ZINC000061704627 178396240 /nfs/dbraw/zinc/39/62/40/178396240.db2.gz WIDJISCMKAIWCE-SECBINFHSA-N -1 3 221.256 0.907 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H]2CC[C@H]2O)n1 ZINC000378774231 346831447 /nfs/dbraw/zinc/83/14/47/346831447.db2.gz HBQXDHSRNRPICA-PSASIEDQSA-N -1 3 208.261 0.709 20 0 BCADHM O=C(CNC(=O)c1cccc2nn[n-]c21)C1CC1 ZINC000188687672 346832611 /nfs/dbraw/zinc/83/26/11/346832611.db2.gz GRVDEWBWIYTOEE-UHFFFAOYSA-N -1 3 244.254 0.667 20 0 BCADHM O=C(CNC(=O)c1cccc2[n-]nnc21)C1CC1 ZINC000188687672 346832614 /nfs/dbraw/zinc/83/26/14/346832614.db2.gz GRVDEWBWIYTOEE-UHFFFAOYSA-N -1 3 244.254 0.667 20 0 BCADHM O=C(CNC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC000188687672 346832618 /nfs/dbraw/zinc/83/26/18/346832618.db2.gz GRVDEWBWIYTOEE-UHFFFAOYSA-N -1 3 244.254 0.667 20 0 BCADHM C[C@H]1CN(C)CCN1Cc1ncccc1[O-] ZINC000561950877 323009132 /nfs/dbraw/zinc/00/91/32/323009132.db2.gz YQHCYFRALMXGRV-JTQLQIEISA-N -1 3 221.304 0.923 20 0 BCADHM OCC1(CCN=c2ncnc3[nH][n-]cc2-3)CCC1 ZINC000649478790 398276191 /nfs/dbraw/zinc/27/61/91/398276191.db2.gz QALVRPIEVSMPRE-UHFFFAOYSA-N -1 3 247.302 0.691 20 0 BCADHM CCN(C)CCNC(=O)c1cncc([O-])c1 ZINC000082651029 398277100 /nfs/dbraw/zinc/27/71/00/398277100.db2.gz CMHYTFQZUKVLIJ-UHFFFAOYSA-N -1 3 223.276 0.469 20 0 BCADHM C[C@@H](N(C)CC(=O)NCC(=O)[O-])C(C)(C)C ZINC000650517298 398277662 /nfs/dbraw/zinc/27/76/62/398277662.db2.gz FKYCWNFUXOQPMV-MRVPVSSYSA-N -1 3 230.308 0.554 20 0 BCADHM CN(Cc1ncccc1[O-])CC1CC(O)C1 ZINC000583961557 342759956 /nfs/dbraw/zinc/75/99/56/342759956.db2.gz GDBKVJISXNSLCD-UHFFFAOYSA-N -1 3 222.288 0.990 20 0 BCADHM Cc1cc(C[N-]S(=O)(=O)[C@H]2CCOC2)no1 ZINC000605318811 342750676 /nfs/dbraw/zinc/75/06/76/342750676.db2.gz VUQRVFUZTITHSZ-VIFPVBQESA-N -1 3 246.288 0.191 20 0 BCADHM CC(C)(C)[C@H](N)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000040483268 538971553 /nfs/dbraw/zinc/97/15/53/538971553.db2.gz VEVKVILTUCKEGV-SNVBAGLBSA-N -1 3 242.319 0.683 20 0 BCADHM O=C(NCC1COC1)c1cc(F)c[n-]c1=O ZINC000630026044 361904443 /nfs/dbraw/zinc/90/44/43/361904443.db2.gz CYTDYQCOQBZXMY-UHFFFAOYSA-N -1 3 226.207 0.303 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3CO[C@H](C4CC4)C3)c1-2 ZINC000624672958 342816800 /nfs/dbraw/zinc/81/68/00/342816800.db2.gz BXKSGOGVKPBFIE-WPRPVWTQSA-N -1 3 245.286 0.706 20 0 BCADHM O=C(N[C@H]1CCOC1)c1cccc2nn[n-]c21 ZINC000188623885 538979193 /nfs/dbraw/zinc/97/91/93/538979193.db2.gz IIHAVHGURPWYBU-ZETCQYMHSA-N -1 3 232.243 0.477 20 0 BCADHM O=C(N[C@H]1CCOC1)c1cccc2[n-]nnc21 ZINC000188623885 538979194 /nfs/dbraw/zinc/97/91/94/538979194.db2.gz IIHAVHGURPWYBU-ZETCQYMHSA-N -1 3 232.243 0.477 20 0 BCADHM O=C(N[C@H]1CCOC1)c1cccc2n[n-]nc21 ZINC000188623885 538979196 /nfs/dbraw/zinc/97/91/96/538979196.db2.gz IIHAVHGURPWYBU-ZETCQYMHSA-N -1 3 232.243 0.477 20 0 BCADHM CCCCOCCNC(=O)c1cc(=O)[n-]cn1 ZINC000624717309 342821448 /nfs/dbraw/zinc/82/14/48/342821448.db2.gz NQYKPUXAFYDGNE-UHFFFAOYSA-N -1 3 239.275 0.729 20 0 BCADHM CCN(C)CCN=c1[n-]nc(C2CC2)o1 ZINC000379980603 538983399 /nfs/dbraw/zinc/98/33/99/538983399.db2.gz HBRNKCGFALPWNX-UHFFFAOYSA-N -1 3 210.281 0.733 20 0 BCADHM CC(C)(C)c1nnc(S(=O)(=O)CCCO)[n-]1 ZINC000195174737 539010117 /nfs/dbraw/zinc/01/01/17/539010117.db2.gz NGTUSXAFHQQVJW-UHFFFAOYSA-N -1 3 247.320 0.258 20 0 BCADHM CC(C)(C)c1n[n-]c(S(=O)(=O)CCCO)n1 ZINC000195174737 539010119 /nfs/dbraw/zinc/01/01/19/539010119.db2.gz NGTUSXAFHQQVJW-UHFFFAOYSA-N -1 3 247.320 0.258 20 0 BCADHM Cc1ccc(C(=O)NCc2cn(C)nn2)c([O-])c1 ZINC000390000479 539019794 /nfs/dbraw/zinc/01/97/94/539019794.db2.gz SMYKFAMESFHDOZ-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM C[C@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000625038556 342844789 /nfs/dbraw/zinc/84/47/89/342844789.db2.gz BAOSIPSNSSWQKX-ZETCQYMHSA-N -1 3 207.233 0.664 20 0 BCADHM Cc1ccc([O-])c(CN2CC(=O)N(C3CC3)C2)n1 ZINC000333175298 398316684 /nfs/dbraw/zinc/31/66/84/398316684.db2.gz LHOBHWBWSYEIFJ-UHFFFAOYSA-N -1 3 247.298 0.860 20 0 BCADHM COCC(C)(C)NC(=O)c1cc(=O)[n-]cn1 ZINC000625161338 342897752 /nfs/dbraw/zinc/89/77/52/342897752.db2.gz SBCUKHUMILQSCA-UHFFFAOYSA-N -1 3 225.248 0.337 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC(n2cccn2)C1 ZINC000625191340 342906122 /nfs/dbraw/zinc/90/61/22/342906122.db2.gz ZLKJCJPVKQQPGS-UHFFFAOYSA-N -1 3 245.242 0.076 20 0 BCADHM CC[C@@H](N)C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000233890860 342913236 /nfs/dbraw/zinc/91/32/36/342913236.db2.gz VXYJXKTVXMJXQQ-YIZRAAEISA-N -1 3 228.292 0.435 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCOC[C@H]2C)[n-]1 ZINC000192842966 398323959 /nfs/dbraw/zinc/32/39/59/398323959.db2.gz PEFBSPLJSPGVQO-RNFRBKRXSA-N -1 3 240.263 0.424 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCOC[C@H]2C)n[n-]1 ZINC000192842966 398323961 /nfs/dbraw/zinc/32/39/61/398323961.db2.gz PEFBSPLJSPGVQO-RNFRBKRXSA-N -1 3 240.263 0.424 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCOC[C@H]2C)n1 ZINC000192842966 398323962 /nfs/dbraw/zinc/32/39/62/398323962.db2.gz PEFBSPLJSPGVQO-RNFRBKRXSA-N -1 3 240.263 0.424 20 0 BCADHM C[C@H]1CC[C@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC000351651282 136249484 /nfs/dbraw/zinc/24/94/84/136249484.db2.gz QRZBICDREMEOCQ-IUCAKERBSA-N -1 3 240.307 0.493 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)CC1CCC1 ZINC000357206747 398338990 /nfs/dbraw/zinc/33/89/90/398338990.db2.gz ZEOLGNADFHCCED-ZETCQYMHSA-N -1 3 235.305 0.267 20 0 BCADHM Cc1ccc([O-])c(CN(C)[C@H]2CCNC2=O)n1 ZINC000355198924 398331892 /nfs/dbraw/zinc/33/18/92/398331892.db2.gz OKQKXCHVWVZIQL-JTQLQIEISA-N -1 3 235.287 0.416 20 0 BCADHM CN(C)CCn1[n-]c([C@@H]2CCOC2)cc1=O ZINC000634590429 342937487 /nfs/dbraw/zinc/93/74/87/342937487.db2.gz ZRHKITDLGVSEOJ-SECBINFHSA-N -1 3 225.292 0.173 20 0 BCADHM CN(C)CCn1[n-]c2c(c1=O)C(C)(C)OC2 ZINC000634590433 342937676 /nfs/dbraw/zinc/93/76/76/342937676.db2.gz ZUCQDOCUPFOHMH-VIFPVBQESA-N -1 3 225.292 0.171 20 0 BCADHM Cc1ccc(C(=O)NCCn2cncn2)c([O-])c1 ZINC000263812496 398342888 /nfs/dbraw/zinc/34/28/88/398342888.db2.gz RGJUIGUCSNFFRI-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM O=C(NCC1(O)CCCC1)c1cc(=O)[n-]cn1 ZINC000625587746 344017774 /nfs/dbraw/zinc/01/77/74/344017774.db2.gz ZYGOSGPMSXUSQQ-UHFFFAOYSA-N -1 3 237.259 0.217 20 0 BCADHM COc1nc(NC(=O)[C@@H](OC)C(C)C)n[n-]1 ZINC000353792332 187209335 /nfs/dbraw/zinc/20/93/35/187209335.db2.gz UDDRRQTWRCPYFV-LURJTMIESA-N -1 3 228.252 0.423 20 0 BCADHM COc1nnc(NC(=O)[C@@H](OC)C(C)C)[n-]1 ZINC000353792332 187209337 /nfs/dbraw/zinc/20/93/37/187209337.db2.gz UDDRRQTWRCPYFV-LURJTMIESA-N -1 3 228.252 0.423 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](OC)C(C)C)n1 ZINC000353792332 187209338 /nfs/dbraw/zinc/20/93/38/187209338.db2.gz UDDRRQTWRCPYFV-LURJTMIESA-N -1 3 228.252 0.423 20 0 BCADHM C[C@@H]1CCc2c(=O)n(-c3nc[nH]n3)[n-]c21 ZINC000634608107 343003662 /nfs/dbraw/zinc/00/36/62/343003662.db2.gz RJACNEQDGOJVCT-RITPCOANSA-N -1 3 205.221 0.553 20 0 BCADHM C[C@H]1CCc2c(=O)n(-c3nc[nH]n3)[n-]c21 ZINC000634608108 343003770 /nfs/dbraw/zinc/00/37/70/343003770.db2.gz RJACNEQDGOJVCT-WDSKDSINSA-N -1 3 205.221 0.553 20 0 BCADHM CCCN(C)CC(=O)N[C@H](CC)C(=O)[O-] ZINC000308838552 259340554 /nfs/dbraw/zinc/34/05/54/259340554.db2.gz JFMLBONAKQSKQC-MRVPVSSYSA-N -1 3 216.281 0.308 20 0 BCADHM CC[C@@H](O)Cn1ncc2cc([O-])ccc2c1=O ZINC000634627470 343033018 /nfs/dbraw/zinc/03/30/18/343033018.db2.gz DACMCMIUTJBDFG-SECBINFHSA-N -1 3 234.255 0.873 20 0 BCADHM C[C@H]1CCCN(C(=O)CNC2CC2)[C@@H]1C(=O)[O-] ZINC000235629249 343054829 /nfs/dbraw/zinc/05/48/29/343054829.db2.gz BUMYECMOUAEVLA-KWQFWETISA-N -1 3 240.303 0.450 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)C1CCCCC1 ZINC000038137583 343083734 /nfs/dbraw/zinc/08/37/34/343083734.db2.gz FOQLEAUCJIVYMI-UHFFFAOYSA-N -1 3 235.305 0.412 20 0 BCADHM CC[C@@](C)(CNC(=O)c1c[n-]nn1)OC ZINC000323108273 259347369 /nfs/dbraw/zinc/34/73/69/259347369.db2.gz DWESACMKRHAQIL-VIFPVBQESA-N -1 3 212.253 0.350 20 0 BCADHM CC[C@@](C)(CNC(=O)c1cnn[n-]1)OC ZINC000323108273 259347370 /nfs/dbraw/zinc/34/73/70/259347370.db2.gz DWESACMKRHAQIL-VIFPVBQESA-N -1 3 212.253 0.350 20 0 BCADHM CC[C@@](C)(CNC(=O)c1cn[n-]n1)OC ZINC000323108273 259347371 /nfs/dbraw/zinc/34/73/71/259347371.db2.gz DWESACMKRHAQIL-VIFPVBQESA-N -1 3 212.253 0.350 20 0 BCADHM O=C([O-])c1cnccc1NC[C@H](O)C1CC1 ZINC000236522048 343101458 /nfs/dbraw/zinc/10/14/58/343101458.db2.gz MYELGKGIRGPSHQ-JTQLQIEISA-N -1 3 222.244 0.963 20 0 BCADHM Cn1ccc(CNC2(C(=O)[O-])CCC2)n1 ZINC000123971221 343166345 /nfs/dbraw/zinc/16/63/45/343166345.db2.gz JLMWAUIQYKTRQG-UHFFFAOYSA-N -1 3 209.249 0.517 20 0 BCADHM CCN1CCN(c2ccncc2C(=O)[O-])CC1 ZINC000125919534 343168010 /nfs/dbraw/zinc/16/80/10/343168010.db2.gz JEWXWABNJDOQED-UHFFFAOYSA-N -1 3 235.287 0.922 20 0 BCADHM O=C([O-])c1cnccc1N1CCC[C@@H](CO)C1 ZINC000125969976 343168327 /nfs/dbraw/zinc/16/83/27/343168327.db2.gz RHSPXJCHPGZGCW-SECBINFHSA-N -1 3 236.271 0.989 20 0 BCADHM C[C@@H](O)CNC(=O)c1ccc(O)cc1[O-] ZINC000035205444 343289792 /nfs/dbraw/zinc/28/97/92/343289792.db2.gz ZBVIUJXWACILTA-ZCFIWIBFSA-N -1 3 211.217 0.208 20 0 BCADHM CS(=O)(=O)[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000070263291 343318215 /nfs/dbraw/zinc/31/82/15/343318215.db2.gz SZOWKIABNJOGGZ-SECBINFHSA-N -1 3 245.304 0.434 20 0 BCADHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069949074 343294997 /nfs/dbraw/zinc/29/49/97/343294997.db2.gz JSDMXRQRYVUPPC-ZETCQYMHSA-N -1 3 229.305 0.877 20 0 BCADHM C[C@@H]1CSCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335694097 136326104 /nfs/dbraw/zinc/32/61/04/136326104.db2.gz ITMSUTRHFOASAO-QMMMGPOBSA-N -1 3 242.348 0.293 20 0 BCADHM Cc1nnc(CNC(=O)c2cccc([O-])c2)n1C ZINC000082282539 343438449 /nfs/dbraw/zinc/43/84/49/343438449.db2.gz LCPGMIZVWHRDAB-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM Cn1c(=O)[n-]nc1SC[C@@H]1CCCO1 ZINC000335899935 136359974 /nfs/dbraw/zinc/35/99/74/136359974.db2.gz DTBUVHCHMLJYJJ-LURJTMIESA-N -1 3 215.278 0.792 20 0 BCADHM CC(C)CN(CC(=O)[O-])C[C@@H](O)C(F)(F)F ZINC000082681357 343460242 /nfs/dbraw/zinc/46/02/42/343460242.db2.gz QEOIVLCSUAALSV-SSDOTTSWSA-N -1 3 243.225 0.952 20 0 BCADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)C2COC2)o1 ZINC000330219571 537786657 /nfs/dbraw/zinc/78/66/57/537786657.db2.gz PPAAQDYUIACLIN-SSDOTTSWSA-N -1 3 246.288 0.362 20 0 BCADHM CCOCCN1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000634694669 343621611 /nfs/dbraw/zinc/62/16/11/343621611.db2.gz JQTSEWIJCIPJPF-GXSJLCMTSA-N -1 3 231.292 0.587 20 0 BCADHM COC[C@@H](NC(=O)c1c[n-]nn1)C(C)C ZINC000083811218 343674081 /nfs/dbraw/zinc/67/40/81/343674081.db2.gz DWZUSBFJTJKHTR-MRVPVSSYSA-N -1 3 212.253 0.206 20 0 BCADHM COC[C@@H](NC(=O)c1cnn[n-]1)C(C)C ZINC000083811218 343674083 /nfs/dbraw/zinc/67/40/83/343674083.db2.gz DWZUSBFJTJKHTR-MRVPVSSYSA-N -1 3 212.253 0.206 20 0 BCADHM COC[C@@H](NC(=O)c1cn[n-]n1)C(C)C ZINC000083811218 343674085 /nfs/dbraw/zinc/67/40/85/343674085.db2.gz DWZUSBFJTJKHTR-MRVPVSSYSA-N -1 3 212.253 0.206 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@H]1CCCO1 ZINC000584180484 343770453 /nfs/dbraw/zinc/77/04/53/343770453.db2.gz PMSKCYHWVLOJTB-ZCFIWIBFSA-N -1 3 239.231 0.314 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@H]1CCCO1 ZINC000584180484 343770454 /nfs/dbraw/zinc/77/04/54/343770454.db2.gz PMSKCYHWVLOJTB-ZCFIWIBFSA-N -1 3 239.231 0.314 20 0 BCADHM O=C(N[C@H]1CCCC[C@@H]1O)c1cc(=O)[n-]cn1 ZINC000626199969 346986050 /nfs/dbraw/zinc/98/60/50/346986050.db2.gz YCCGGWCYYITPSE-CBAPKCEASA-N -1 3 237.259 0.216 20 0 BCADHM C/C=C(\CC)C(=O)Nc1[n-]nnc1C(=O)NC ZINC000297725485 187352411 /nfs/dbraw/zinc/35/24/11/187352411.db2.gz LVUQFPWYOPWUBK-GQCTYLIASA-N -1 3 237.263 0.459 20 0 BCADHM CC=C(CC)C(=O)Nc1nn[n-]c1C(=O)NC ZINC000297725485 187352413 /nfs/dbraw/zinc/35/24/13/187352413.db2.gz LVUQFPWYOPWUBK-GQCTYLIASA-N -1 3 237.263 0.459 20 0 BCADHM CC=C(CC)C(=O)Nc1n[n-]nc1C(=O)NC ZINC000297725485 187352414 /nfs/dbraw/zinc/35/24/14/187352414.db2.gz LVUQFPWYOPWUBK-GQCTYLIASA-N -1 3 237.263 0.459 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCC2(COC2)C1 ZINC000620289896 343894776 /nfs/dbraw/zinc/89/47/76/343894776.db2.gz DKBAACNGMYSYMM-UHFFFAOYSA-N -1 3 249.266 0.960 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCC(=O)N1 ZINC000628113282 343965228 /nfs/dbraw/zinc/96/52/28/343965228.db2.gz UEXJSSJHAYMSCO-VIFPVBQESA-N -1 3 248.282 0.709 20 0 BCADHM C[C@@H](O)C[C@H](C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000625762764 344064183 /nfs/dbraw/zinc/06/41/83/344064183.db2.gz FRZSJOZWMQOTEY-JGVFFNPUSA-N -1 3 239.275 0.319 20 0 BCADHM C[C@@H]1CCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000641241478 362301328 /nfs/dbraw/zinc/30/13/28/362301328.db2.gz DSBDIACXZXSKDW-SECBINFHSA-N -1 3 248.282 0.743 20 0 BCADHM CC1(C)[C@@H](CNC(=O)c2c[n-]nn2)C1(F)F ZINC000619395226 344104384 /nfs/dbraw/zinc/10/43/84/344104384.db2.gz AGJWVYLKVLUTRO-ZCFIWIBFSA-N -1 3 230.218 0.826 20 0 BCADHM CC1(C)[C@@H](CNC(=O)c2cnn[n-]2)C1(F)F ZINC000619395226 344104386 /nfs/dbraw/zinc/10/43/86/344104386.db2.gz AGJWVYLKVLUTRO-ZCFIWIBFSA-N -1 3 230.218 0.826 20 0 BCADHM CC1(C)[C@@H](CNC(=O)c2cn[n-]n2)C1(F)F ZINC000619395226 344104389 /nfs/dbraw/zinc/10/43/89/344104389.db2.gz AGJWVYLKVLUTRO-ZCFIWIBFSA-N -1 3 230.218 0.826 20 0 BCADHM CC1(C)[C@@H]2CN(C(=O)c3cc(=O)[n-]cn3)C[C@@H]21 ZINC000625834317 344088622 /nfs/dbraw/zinc/08/86/22/344088622.db2.gz YQVNJBDCNHMCPH-OCAPTIKFSA-N -1 3 233.271 0.910 20 0 BCADHM CS[C@H](C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000588875809 344196544 /nfs/dbraw/zinc/19/65/44/344196544.db2.gz GHKMGYXYDWOCCP-SSDOTTSWSA-N -1 3 243.332 0.510 20 0 BCADHM CS[C@@H](C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000588875811 344196757 /nfs/dbraw/zinc/19/67/57/344196757.db2.gz GHKMGYXYDWOCCP-ZETCQYMHSA-N -1 3 243.332 0.510 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)C2CC2)CCCC1 ZINC000408223550 344259717 /nfs/dbraw/zinc/25/97/17/344259717.db2.gz UQECVCQTKBGMEZ-UHFFFAOYSA-N -1 3 247.316 0.554 20 0 BCADHM CSC1(C(=O)[N-]c2nnc3[nH]cnn23)CC1 ZINC000590378018 347050501 /nfs/dbraw/zinc/05/05/01/347050501.db2.gz VUGGXWFPURYTMS-UHFFFAOYSA-N -1 3 238.276 0.287 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCc1cc[nH]n1 ZINC000622307898 344490312 /nfs/dbraw/zinc/49/03/12/344490312.db2.gz OXSCRSUOXKHQPZ-UHFFFAOYSA-N -1 3 232.243 0.369 20 0 BCADHM CO[C@H](CNC(=O)c1cc(=O)[n-]cn1)C(C)C ZINC000625949020 344583192 /nfs/dbraw/zinc/58/31/92/344583192.db2.gz KZIVUFWBWTWBEE-SECBINFHSA-N -1 3 239.275 0.583 20 0 BCADHM CO[C@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000625991398 344658062 /nfs/dbraw/zinc/65/80/62/344658062.db2.gz STWXBOALRWDTRY-ZETCQYMHSA-N -1 3 223.232 0.043 20 0 BCADHM CN(C[C@H]1CCOC1)C(=O)c1cc(=O)[n-]cn1 ZINC000625998520 344660761 /nfs/dbraw/zinc/66/07/61/344660761.db2.gz MPIRHPWRVVIIBU-MRVPVSSYSA-N -1 3 237.259 0.291 20 0 BCADHM Cc1nnc([C@H](C)NC(=O)c2cc(=O)[n-]cn2)o1 ZINC000626090933 344733109 /nfs/dbraw/zinc/73/31/09/344733109.db2.gz ZEIDWTBGUSQFPX-YFKPBYRVSA-N -1 3 249.230 0.365 20 0 BCADHM CC[C@H]1CN(c2ccncc2C(=O)[O-])C[C@@H]1O ZINC000400473013 344734081 /nfs/dbraw/zinc/73/40/81/344734081.db2.gz YRMGVLRKWGVLHU-KWQFWETISA-N -1 3 236.271 0.987 20 0 BCADHM CN(C[C@@H](O)C1CC1)C(=O)c1cc(=O)[n-]cn1 ZINC000626054914 344703640 /nfs/dbraw/zinc/70/36/40/344703640.db2.gz MVJDVFZTYNHJCM-SECBINFHSA-N -1 3 237.259 0.025 20 0 BCADHM C[C@]1(c2nc(-c3cc(=O)[n-]cn3)no2)CCOC1 ZINC000351377744 344749255 /nfs/dbraw/zinc/74/92/55/344749255.db2.gz VGIQFXUAAMTDPO-NSHDSACASA-N -1 3 248.242 0.910 20 0 BCADHM O=C(CSCCc1nnn[n-]1)CC1CC1 ZINC000603339781 349916769 /nfs/dbraw/zinc/91/67/69/349916769.db2.gz FDNHTCCJNFBXCR-UHFFFAOYSA-N -1 3 226.305 0.845 20 0 BCADHM O=C(CSCCc1nn[n-]n1)CC1CC1 ZINC000603339781 349916772 /nfs/dbraw/zinc/91/67/72/349916772.db2.gz FDNHTCCJNFBXCR-UHFFFAOYSA-N -1 3 226.305 0.845 20 0 BCADHM FC(F)COCCSCCc1nnn[n-]1 ZINC000603341795 349919365 /nfs/dbraw/zinc/91/93/65/349919365.db2.gz RFMXORQFZLWTGL-UHFFFAOYSA-N -1 3 238.263 0.757 20 0 BCADHM FC(F)COCCSCCc1nn[n-]n1 ZINC000603341795 349919367 /nfs/dbraw/zinc/91/93/67/349919367.db2.gz RFMXORQFZLWTGL-UHFFFAOYSA-N -1 3 238.263 0.757 20 0 BCADHM C[C@@H](O)CCCSCCc1nnn[n-]1 ZINC000603341912 349918554 /nfs/dbraw/zinc/91/85/54/349918554.db2.gz SZRAMXALPKPWSK-SSDOTTSWSA-N -1 3 216.310 0.636 20 0 BCADHM C[C@@H](O)CCCSCCc1nn[n-]n1 ZINC000603341912 349918556 /nfs/dbraw/zinc/91/85/56/349918556.db2.gz SZRAMXALPKPWSK-SSDOTTSWSA-N -1 3 216.310 0.636 20 0 BCADHM CC(C)[C@@H](O)CSCCc1nnn[n-]1 ZINC000603341207 349919194 /nfs/dbraw/zinc/91/91/94/349919194.db2.gz MEMLSGQDEPIZML-ZETCQYMHSA-N -1 3 216.310 0.492 20 0 BCADHM CC(C)[C@@H](O)CSCCc1nn[n-]n1 ZINC000603341207 349919198 /nfs/dbraw/zinc/91/91/98/349919198.db2.gz MEMLSGQDEPIZML-ZETCQYMHSA-N -1 3 216.310 0.492 20 0 BCADHM C(Cc1nnn[n-]1)S[C@@H]1CCOC1 ZINC000603342310 349919799 /nfs/dbraw/zinc/91/97/99/349919799.db2.gz XIDKZYWCQAWHTA-ZCFIWIBFSA-N -1 3 200.267 0.264 20 0 BCADHM C(Cc1nn[n-]n1)S[C@@H]1CCOC1 ZINC000603342310 349919805 /nfs/dbraw/zinc/91/98/05/349919805.db2.gz XIDKZYWCQAWHTA-ZCFIWIBFSA-N -1 3 200.267 0.264 20 0 BCADHM CC[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000077607115 344823162 /nfs/dbraw/zinc/82/31/62/344823162.db2.gz QJWWDGKRKSEVBD-UHFFFAOYSA-N -1 3 249.313 0.833 20 0 BCADHM NC(=O)c1csc([N-]C(=O)c2cocn2)n1 ZINC000135727995 344871287 /nfs/dbraw/zinc/87/12/87/344871287.db2.gz AXEABKRVIFQIOB-UHFFFAOYSA-N -1 3 238.228 0.482 20 0 BCADHM CN(C)c1nc(C(=O)N2CCCC2)cc(=O)[n-]1 ZINC000408242429 344877580 /nfs/dbraw/zinc/87/75/80/344877580.db2.gz UMDFDGLOYXZBOK-UHFFFAOYSA-N -1 3 236.275 0.484 20 0 BCADHM CCn1nccc1CNC(=O)c1cc(=O)[n-]cn1 ZINC000628169262 344882841 /nfs/dbraw/zinc/88/28/41/344882841.db2.gz WVUITVPUPRCMLM-UHFFFAOYSA-N -1 3 247.258 0.329 20 0 BCADHM CC(C)C[C@@H](C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000120317055 187295046 /nfs/dbraw/zinc/29/50/46/187295046.db2.gz BBGLGFLNGKSZMI-SFYZADRCSA-N -1 3 241.291 0.135 20 0 BCADHM CCC(CC)(CO)CNC(=O)c1c[n-]nn1 ZINC000153739479 344962756 /nfs/dbraw/zinc/96/27/56/344962756.db2.gz YHVLCRJBIUGTJO-UHFFFAOYSA-N -1 3 226.280 0.333 20 0 BCADHM CCC(CC)(CO)CNC(=O)c1cnn[n-]1 ZINC000153739479 344962758 /nfs/dbraw/zinc/96/27/58/344962758.db2.gz YHVLCRJBIUGTJO-UHFFFAOYSA-N -1 3 226.280 0.333 20 0 BCADHM CCC(CC)(CO)CNC(=O)c1cn[n-]n1 ZINC000153739479 344962760 /nfs/dbraw/zinc/96/27/60/344962760.db2.gz YHVLCRJBIUGTJO-UHFFFAOYSA-N -1 3 226.280 0.333 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H](C)C(N)=O)c1 ZINC000035149308 178786825 /nfs/dbraw/zinc/78/68/25/178786825.db2.gz MOHLTTZAZMZZFT-SSDOTTSWSA-N -1 3 222.244 0.304 20 0 BCADHM Cc1ccc([O-])c(CNC2(CO)CC2)n1 ZINC000120382724 178794892 /nfs/dbraw/zinc/79/48/92/178794892.db2.gz XHHFAXHPBKMJMS-UHFFFAOYSA-N -1 3 208.261 0.710 20 0 BCADHM C[C@H]1C[C@@H](O)CN1C(=O)Cc1cncc([O-])c1 ZINC000574823540 345038083 /nfs/dbraw/zinc/03/80/83/345038083.db2.gz UNYFFEMMEVMSQZ-GZMMTYOYSA-N -1 3 236.271 0.311 20 0 BCADHM COCCN1CCN([C@@H](C(=O)[O-])C2CC2)CC1 ZINC000635015768 345220378 /nfs/dbraw/zinc/22/03/78/345220378.db2.gz IMPPRYXRMHHADE-LLVKDONJSA-N -1 3 242.319 0.114 20 0 BCADHM C[C@H](C(=O)[O-])N1CCO[C@H](C(F)F)CC1 ZINC000635018381 345222269 /nfs/dbraw/zinc/22/22/69/345222269.db2.gz GQUNHKWLWITMDD-RQJHMYQMSA-N -1 3 223.219 0.816 20 0 BCADHM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCC(=O)[O-] ZINC000574891645 345263484 /nfs/dbraw/zinc/26/34/84/345263484.db2.gz JWSUVXSLDSDPEJ-YWVKMMECSA-N -1 3 241.287 0.735 20 0 BCADHM Cc1noc(CSCCc2nnn[n-]2)n1 ZINC000603336949 349927175 /nfs/dbraw/zinc/92/71/75/349927175.db2.gz DXHAATLJOKSODM-UHFFFAOYSA-N -1 3 226.265 0.367 20 0 BCADHM Cc1noc(CSCCc2nn[n-]n2)n1 ZINC000603336949 349927179 /nfs/dbraw/zinc/92/71/79/349927179.db2.gz DXHAATLJOKSODM-UHFFFAOYSA-N -1 3 226.265 0.367 20 0 BCADHM C(Cc1nnn[n-]1)SC[C@@H]1CCCOC1 ZINC000603337247 349927819 /nfs/dbraw/zinc/92/78/19/349927819.db2.gz DFQNTOFBTKIJLM-MRVPVSSYSA-N -1 3 228.321 0.902 20 0 BCADHM C(Cc1nn[n-]n1)SC[C@@H]1CCCOC1 ZINC000603337247 349927823 /nfs/dbraw/zinc/92/78/23/349927823.db2.gz DFQNTOFBTKIJLM-MRVPVSSYSA-N -1 3 228.321 0.902 20 0 BCADHM COCCCSCCc1nnn[n-]1 ZINC000603337698 349928518 /nfs/dbraw/zinc/92/85/18/349928518.db2.gz CINQJEHBQYKXRB-UHFFFAOYSA-N -1 3 202.283 0.512 20 0 BCADHM COCCCSCCc1nn[n-]n1 ZINC000603337698 349928520 /nfs/dbraw/zinc/92/85/20/349928520.db2.gz CINQJEHBQYKXRB-UHFFFAOYSA-N -1 3 202.283 0.512 20 0 BCADHM CCNC(=O)CNCc1cc([O-])cc(F)c1 ZINC000159591919 345444627 /nfs/dbraw/zinc/44/46/27/345444627.db2.gz UUTJDNQXCCQAKK-UHFFFAOYSA-N -1 3 226.251 0.757 20 0 BCADHM CC(C)OC[C@@H](O)CSCCc1nnn[n-]1 ZINC000603337133 349928190 /nfs/dbraw/zinc/92/81/90/349928190.db2.gz BHVLGTBCNIXCKZ-MRVPVSSYSA-N -1 3 246.336 0.261 20 0 BCADHM CC(C)OC[C@@H](O)CSCCc1nn[n-]n1 ZINC000603337133 349928192 /nfs/dbraw/zinc/92/81/92/349928192.db2.gz BHVLGTBCNIXCKZ-MRVPVSSYSA-N -1 3 246.336 0.261 20 0 BCADHM CCCNC(=O)[C@@H](C)SCCc1nnn[n-]1 ZINC000603338817 349929405 /nfs/dbraw/zinc/92/94/05/349929405.db2.gz NDXHLZPVHYZUDA-SSDOTTSWSA-N -1 3 243.336 0.390 20 0 BCADHM CCCNC(=O)[C@@H](C)SCCc1nn[n-]n1 ZINC000603338817 349929408 /nfs/dbraw/zinc/92/94/08/349929408.db2.gz NDXHLZPVHYZUDA-SSDOTTSWSA-N -1 3 243.336 0.390 20 0 BCADHM O=C(CSCCc1nnn[n-]1)C1CC1 ZINC000603339323 349929448 /nfs/dbraw/zinc/92/94/48/349929448.db2.gz NLTHQDWUPKERHM-UHFFFAOYSA-N -1 3 212.278 0.455 20 0 BCADHM O=C(CSCCc1nn[n-]n1)C1CC1 ZINC000603339323 349929450 /nfs/dbraw/zinc/92/94/50/349929450.db2.gz NLTHQDWUPKERHM-UHFFFAOYSA-N -1 3 212.278 0.455 20 0 BCADHM C[C@@H](NC(=O)c1csc(=O)[n-]1)C(C)(C)O ZINC000684286803 488286820 /nfs/dbraw/zinc/28/68/20/488286820.db2.gz LOPFYBVKGOIZFM-RXMQYKEDSA-N -1 3 230.289 0.738 20 0 BCADHM O=C(Nc1ncccc1[O-])c1csnn1 ZINC000082269569 345499880 /nfs/dbraw/zinc/49/98/80/345499880.db2.gz FPOHKWCURWURNA-UHFFFAOYSA-N -1 3 222.229 0.891 20 0 BCADHM c1n[nH]cc1CSCCc1nnn[n-]1 ZINC000603339193 349929153 /nfs/dbraw/zinc/92/91/53/349929153.db2.gz CGGQPPFOHINHLA-UHFFFAOYSA-N -1 3 210.266 0.399 20 0 BCADHM c1n[nH]cc1CSCCc1nn[n-]n1 ZINC000603339193 349929157 /nfs/dbraw/zinc/92/91/57/349929157.db2.gz CGGQPPFOHINHLA-UHFFFAOYSA-N -1 3 210.266 0.399 20 0 BCADHM CC(C)(CCO)CNC(=O)c1cc(=O)[n-]cn1 ZINC000626130568 345577266 /nfs/dbraw/zinc/57/72/66/345577266.db2.gz WZYJMDKLSQBPSJ-UHFFFAOYSA-N -1 3 239.275 0.321 20 0 BCADHM Cn1cnc([N-]C(=O)c2ncccc2F)n1 ZINC000622617072 345546185 /nfs/dbraw/zinc/54/61/85/345546185.db2.gz UWXZPGWXHATFEX-UHFFFAOYSA-N -1 3 221.195 0.602 20 0 BCADHM CC(C)N(Cc1n[nH]c(=O)[n-]1)C1CCC1 ZINC000091622553 345601004 /nfs/dbraw/zinc/60/10/04/345601004.db2.gz BWYNUCURBJAEKY-UHFFFAOYSA-N -1 3 210.281 0.861 20 0 BCADHM O=c1[n-]c(CN(CCO)C2CCCCC2)n[nH]1 ZINC000091632279 345602413 /nfs/dbraw/zinc/60/24/13/345602413.db2.gz PQMOEMRTALGBJT-UHFFFAOYSA-N -1 3 240.307 0.225 20 0 BCADHM NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000091683186 345603296 /nfs/dbraw/zinc/60/32/96/345603296.db2.gz KVDDBHMKHSJSEQ-SCZZXKLOSA-N -1 3 248.282 0.776 20 0 BCADHM CCc1nsc([N-][C@H](COC)C(N)=O)n1 ZINC000092689285 345636324 /nfs/dbraw/zinc/63/63/24/345636324.db2.gz IPAYDXKGNSOBHT-RXMQYKEDSA-N -1 3 230.293 0.013 20 0 BCADHM CN(CCCOC(=O)[N-]C(N)=O)CC(F)F ZINC000093172044 345657904 /nfs/dbraw/zinc/65/79/04/345657904.db2.gz JUXSAGYFTXRNEO-UHFFFAOYSA-N -1 3 239.222 0.378 20 0 BCADHM COC[C@H](C)[N-]S(=O)(=O)c1cscn1 ZINC000641696534 362609619 /nfs/dbraw/zinc/60/96/19/362609619.db2.gz UQGHIEKEEZQLAY-LURJTMIESA-N -1 3 236.318 0.456 20 0 BCADHM C[C@H]([N-]S(=O)(=O)CC1CC1)C(F)F ZINC000641701721 362611447 /nfs/dbraw/zinc/61/14/47/362611447.db2.gz JKRYLYMISGQJDV-YFKPBYRVSA-N -1 3 213.249 0.969 20 0 BCADHM CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)[O-] ZINC000336734707 187308846 /nfs/dbraw/zinc/30/88/46/187308846.db2.gz HLDGSLBXOYPUDG-QMMMGPOBSA-N -1 3 228.292 0.308 20 0 BCADHM COCCN(CCO)Cc1nc(C)ccc1[O-] ZINC000093005641 345654429 /nfs/dbraw/zinc/65/44/29/345654429.db2.gz JBJRGAVHIDDPFA-UHFFFAOYSA-N -1 3 240.303 0.536 20 0 BCADHM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)N)c1 ZINC000116051012 345676968 /nfs/dbraw/zinc/67/69/68/345676968.db2.gz OMVOYNUUSMKGHH-LURJTMIESA-N -1 3 238.243 0.465 20 0 BCADHM Cc1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)n[nH]1 ZINC000095210260 345683032 /nfs/dbraw/zinc/68/30/32/345683032.db2.gz URTKATJLBCGALT-LURJTMIESA-N -1 3 249.278 0.107 20 0 BCADHM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)[nH]n1 ZINC000095210260 345683033 /nfs/dbraw/zinc/68/30/33/345683033.db2.gz URTKATJLBCGALT-LURJTMIESA-N -1 3 249.278 0.107 20 0 BCADHM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)n[nH]1 ZINC000095210260 345683035 /nfs/dbraw/zinc/68/30/35/345683035.db2.gz URTKATJLBCGALT-LURJTMIESA-N -1 3 249.278 0.107 20 0 BCADHM FC(F)(F)Cn1ccnc1Cc1nnn[n-]1 ZINC000095251608 345684889 /nfs/dbraw/zinc/68/48/89/345684889.db2.gz UJZHXLWNWSENHJ-UHFFFAOYSA-N -1 3 232.169 0.549 20 0 BCADHM Cc1cccc(S(=O)(=O)[N-][C@H](C)CO)c1F ZINC000181305781 187309389 /nfs/dbraw/zinc/30/93/89/187309389.db2.gz XTXTWGNOUGFYOX-MRVPVSSYSA-N -1 3 247.291 0.793 20 0 BCADHM CCNC(=O)CC(=O)Nc1ccccc1[O-] ZINC000142810123 345701695 /nfs/dbraw/zinc/70/16/95/345701695.db2.gz QCXXLQZKCRCSJG-UHFFFAOYSA-N -1 3 222.244 0.857 20 0 BCADHM NC(=O)c1cccc(CNC2(C(=O)[O-])CC2)c1 ZINC000203647600 345731528 /nfs/dbraw/zinc/73/15/28/345731528.db2.gz YKHDCQHEHPQYNB-UHFFFAOYSA-N -1 3 234.255 0.492 20 0 BCADHM C[C@]1(CNC(=O)c2cccc([O-])c2)CCC(=O)N1 ZINC000622678673 345797547 /nfs/dbraw/zinc/79/75/47/345797547.db2.gz AANJRCBTXIMVMW-CYBMUJFWSA-N -1 3 248.282 0.791 20 0 BCADHM COCC1(NC(=O)c2cc(=O)[n-]cn2)CC1 ZINC000626156242 345871310 /nfs/dbraw/zinc/87/13/10/345871310.db2.gz HZIYLHPUJZMQLH-UHFFFAOYSA-N -1 3 223.232 0.091 20 0 BCADHM CC(C)C[C@H](NC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000185320011 187362697 /nfs/dbraw/zinc/36/26/97/187362697.db2.gz CXXLYJGIIJJTBV-JTQLQIEISA-N -1 3 244.335 0.942 20 0 BCADHM C[C@H](O)C(C)(C)NC(=O)c1cc(F)c[n-]c1=O ZINC000635754010 346050634 /nfs/dbraw/zinc/05/06/34/346050634.db2.gz QLODSKPNHZDEGM-LURJTMIESA-N -1 3 242.250 0.816 20 0 BCADHM C[C@@H](N)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000095203027 346030280 /nfs/dbraw/zinc/03/02/80/346030280.db2.gz QIOMHEAAJJHNBP-SSDOTTSWSA-N -1 3 246.274 0.076 20 0 BCADHM CC[C@@](C)(CO)NC(=O)c1cc(F)c[n-]c1=O ZINC000635739841 346041069 /nfs/dbraw/zinc/04/10/69/346041069.db2.gz MCDFVQSSRIKXHJ-NSHDSACASA-N -1 3 242.250 0.817 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)c1 ZINC000331897997 187365350 /nfs/dbraw/zinc/36/53/50/187365350.db2.gz JJTMEXHMUSVXPA-BDAKNGLRSA-N -1 3 243.332 0.837 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCOC1 ZINC000635983669 346137363 /nfs/dbraw/zinc/13/73/63/346137363.db2.gz OLZCOOBGIYYTJH-UHFFFAOYSA-N -1 3 212.180 0.356 20 0 BCADHM Cc1cccc(C(=O)NCc2nc[nH]n2)c1[O-] ZINC000037920293 179020191 /nfs/dbraw/zinc/02/01/91/179020191.db2.gz SMJDWZWXDBKRLY-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM Cc1cccc(C)c1NC([O-])=NOCC(N)=O ZINC000180606009 179041039 /nfs/dbraw/zinc/04/10/39/179041039.db2.gz SCJGWARHOQYKEL-UHFFFAOYSA-N -1 3 237.259 0.842 20 0 BCADHM Cc1cccc(C)c1NC(=O)[N-]OCC(N)=O ZINC000180606009 179041042 /nfs/dbraw/zinc/04/10/42/179041042.db2.gz SCJGWARHOQYKEL-UHFFFAOYSA-N -1 3 237.259 0.842 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)C2 ZINC000636283041 346376631 /nfs/dbraw/zinc/37/66/31/346376631.db2.gz XWVCHFRBMPRVRB-UHFFFAOYSA-N -1 3 219.244 0.743 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H]1C[C@H]1C)C2 ZINC000636281839 346377721 /nfs/dbraw/zinc/37/77/21/346377721.db2.gz FUHUMECQRBLIHB-SVRRBLITSA-N -1 3 233.271 0.989 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ncc[nH]1)C2 ZINC000636285943 346379014 /nfs/dbraw/zinc/37/90/14/346379014.db2.gz HHIJKFOFSIJKIM-UHFFFAOYSA-N -1 3 245.242 0.370 20 0 BCADHM O=C(N=c1cc[nH]cc1)c1cc(F)cnc1[O-] ZINC000636343431 346403539 /nfs/dbraw/zinc/40/35/39/346403539.db2.gz ACDRAOLQKLSOQX-UHFFFAOYSA-N -1 3 233.202 0.996 20 0 BCADHM CC(C)OC1CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000636323620 346395974 /nfs/dbraw/zinc/39/59/74/346395974.db2.gz OSBYYCPAIZQTAG-UHFFFAOYSA-N -1 3 237.259 0.432 20 0 BCADHM CC(C)N(Cc1nc(=O)n(C)[n-]1)[C@H]1CCOC1 ZINC000580609632 365811015 /nfs/dbraw/zinc/81/10/15/365811015.db2.gz QIUYGMCCPFNCKH-VIFPVBQESA-N -1 3 240.307 0.108 20 0 BCADHM C[C@@H]1CCC(C)(C)N1CC(=O)NCC(=O)[O-] ZINC000641793562 362735715 /nfs/dbraw/zinc/73/57/15/362735715.db2.gz LHOKJUAIANYANA-MRVPVSSYSA-N -1 3 228.292 0.450 20 0 BCADHM CCCCO[C@H](C)C(=O)[N-]c1nncn1C ZINC000162995656 346544339 /nfs/dbraw/zinc/54/43/39/346544339.db2.gz ANOYCLJBMRXKJZ-MRVPVSSYSA-N -1 3 226.280 0.959 20 0 BCADHM CN1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000103599554 346579182 /nfs/dbraw/zinc/57/91/82/346579182.db2.gz LOIVZKRVEBGPHN-UHFFFAOYSA-N -1 3 245.290 0.014 20 0 BCADHM CN1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000103599554 346579183 /nfs/dbraw/zinc/57/91/83/346579183.db2.gz LOIVZKRVEBGPHN-UHFFFAOYSA-N -1 3 245.290 0.014 20 0 BCADHM C[C@H](C[S@](C)=O)N(C)Cc1ncccc1[O-] ZINC000589174680 346672718 /nfs/dbraw/zinc/67/27/18/346672718.db2.gz NTKHMEGADUJDAO-ABKXIKBNSA-N -1 3 242.344 0.986 20 0 BCADHM O=C(NCCOCCF)c1csc(=O)[n-]1 ZINC000621091997 346686688 /nfs/dbraw/zinc/68/66/88/346686688.db2.gz ZEFCMAWLKMOBSU-UHFFFAOYSA-N -1 3 234.252 0.565 20 0 BCADHM C[C@H]1CN(C(=O)c2c([O-])cccc2O)C[C@H]1O ZINC000387855198 347111315 /nfs/dbraw/zinc/11/13/15/347111315.db2.gz KBQSOLMJISFNLW-OIBJUYFYSA-N -1 3 237.255 0.551 20 0 BCADHM CC[C@](C)(O)CNC(=O)c1cccc2nn[n-]c21 ZINC000188228513 346795810 /nfs/dbraw/zinc/79/58/10/346795810.db2.gz JSFGOVLOGSITSN-LBPRGKRZSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@](C)(O)CNC(=O)c1cccc2[n-]nnc21 ZINC000188228513 346795812 /nfs/dbraw/zinc/79/58/12/346795812.db2.gz JSFGOVLOGSITSN-LBPRGKRZSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@](C)(O)CNC(=O)c1cccc2n[n-]nc21 ZINC000188228513 346795815 /nfs/dbraw/zinc/79/58/15/346795815.db2.gz JSFGOVLOGSITSN-LBPRGKRZSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@](C)(O)CNC(=O)c1cccc2nn[n-]c21 ZINC000188228532 346795885 /nfs/dbraw/zinc/79/58/85/346795885.db2.gz JSFGOVLOGSITSN-GFCCVEGCSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@](C)(O)CNC(=O)c1cccc2[n-]nnc21 ZINC000188228532 346795887 /nfs/dbraw/zinc/79/58/87/346795887.db2.gz JSFGOVLOGSITSN-GFCCVEGCSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@](C)(O)CNC(=O)c1cccc2n[n-]nc21 ZINC000188228532 346795889 /nfs/dbraw/zinc/79/58/89/346795889.db2.gz JSFGOVLOGSITSN-GFCCVEGCSA-N -1 3 248.286 0.849 20 0 BCADHM COCCS(=O)(=O)[N-]C(C)(C)C(F)F ZINC000684597346 488330638 /nfs/dbraw/zinc/33/06/38/488330638.db2.gz JKCCWCVKKATNKT-UHFFFAOYSA-N -1 3 231.264 0.596 20 0 BCADHM CC[C@@H](O)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000618402269 347238154 /nfs/dbraw/zinc/23/81/54/347238154.db2.gz XHDAQTWYMDOZQG-MRVPVSSYSA-N -1 3 249.270 0.769 20 0 BCADHM COCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000082271697 347323424 /nfs/dbraw/zinc/32/34/24/347323424.db2.gz KVHYJSPBPLIFIL-UHFFFAOYSA-N -1 3 220.232 0.334 20 0 BCADHM COC(=O)CNC(=O)c1cccc([O-])c1 ZINC000019837655 347362461 /nfs/dbraw/zinc/36/24/61/347362461.db2.gz AJZHXYFINHWTPN-UHFFFAOYSA-N -1 3 209.201 0.295 20 0 BCADHM COCC(COC)NCc1nc(C)ccc1[O-] ZINC000388418859 347396289 /nfs/dbraw/zinc/39/62/89/347396289.db2.gz GQWMEGFMJCMUNT-UHFFFAOYSA-N -1 3 240.303 0.847 20 0 BCADHM CS[C@@H](C)CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000590553052 347470922 /nfs/dbraw/zinc/47/09/22/347470922.db2.gz SZHGJMSIRMNFKW-YFKPBYRVSA-N -1 3 240.292 0.533 20 0 BCADHM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)CC1CC1 ZINC000590764064 347529289 /nfs/dbraw/zinc/52/92/89/347529289.db2.gz KCNWDECZKXAHQP-QMMMGPOBSA-N -1 3 249.332 0.656 20 0 BCADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCNC2=O)c1 ZINC000616961286 347536004 /nfs/dbraw/zinc/53/60/04/347536004.db2.gz UQZAKJBNVXDQFE-JTQLQIEISA-N -1 3 248.282 0.573 20 0 BCADHM CC[C@@H](C)N(CC)C(=O)CN1CC(=O)[N-]C1=O ZINC000616981987 347563986 /nfs/dbraw/zinc/56/39/86/347563986.db2.gz NEZSSRQZKNUVLC-MRVPVSSYSA-N -1 3 241.291 0.185 20 0 BCADHM Cc1ccccc1NC(=O)CN1CC(=O)[N-]C1=O ZINC000070079132 179298400 /nfs/dbraw/zinc/29/84/00/179298400.db2.gz VZLRCRRTEVGNMR-UHFFFAOYSA-N -1 3 247.254 0.485 20 0 BCADHM CCN(C)CCNC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000577377639 365933805 /nfs/dbraw/zinc/93/38/05/365933805.db2.gz SISAHSPEBBOZBH-VIFPVBQESA-N -1 3 230.308 0.411 20 0 BCADHM CSCCCN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000593755741 347943527 /nfs/dbraw/zinc/94/35/27/347943527.db2.gz MCDHIUGEJOIDGF-RKDXNWHRSA-N -1 3 233.333 0.913 20 0 BCADHM CSCCNC(=O)Cc1cncc([O-])c1 ZINC000594421861 348050564 /nfs/dbraw/zinc/05/05/64/348050564.db2.gz UUPXNQLGWIUIJU-UHFFFAOYSA-N -1 3 226.301 0.809 20 0 BCADHM O=S(=O)([N-]CCC1(F)CCC1)c1c[nH]cn1 ZINC000563720599 323175621 /nfs/dbraw/zinc/17/56/21/323175621.db2.gz BJMMAMUUTBBCEE-UHFFFAOYSA-N -1 3 247.295 0.970 20 0 BCADHM CC1(CN2CCO[C@@H](C(=O)[O-])C2)CCC1 ZINC000307373035 323178696 /nfs/dbraw/zinc/17/86/96/323178696.db2.gz VWLSEGBZZCCJNO-SECBINFHSA-N -1 3 213.277 0.962 20 0 BCADHM Cc1cccnc1C(F)(F)C(=O)[N-]CC(N)=O ZINC000195329320 179366265 /nfs/dbraw/zinc/36/62/65/179366265.db2.gz XZVIPDQPFRQXBN-UHFFFAOYSA-N -1 3 243.213 0.083 20 0 BCADHM C[C@@H](O)CN(C)c1ccncc1C(=O)[O-] ZINC000088109853 362903438 /nfs/dbraw/zinc/90/34/38/362903438.db2.gz PJRVNCPJNPSQNW-SSDOTTSWSA-N -1 3 210.233 0.597 20 0 BCADHM CCC1(O)CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000089648090 362917221 /nfs/dbraw/zinc/91/72/21/362917221.db2.gz ONKYUXUNWGHVIC-UHFFFAOYSA-N -1 3 237.255 0.695 20 0 BCADHM CCOC(=O)c1cc(-c2cnnn2C)n[n-]1 ZINC000596646653 348604335 /nfs/dbraw/zinc/60/43/35/348604335.db2.gz VCTHZQVDHGJYEK-UHFFFAOYSA-N -1 3 221.220 0.382 20 0 BCADHM CCOC(=O)c1cc(-c2cnnn2C)[n-]n1 ZINC000596646653 348604337 /nfs/dbraw/zinc/60/43/37/348604337.db2.gz VCTHZQVDHGJYEK-UHFFFAOYSA-N -1 3 221.220 0.382 20 0 BCADHM COC[C@@H](NC(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000626235488 348799455 /nfs/dbraw/zinc/79/94/55/348799455.db2.gz LFKUQIXQLKSERB-SECBINFHSA-N -1 3 237.259 0.337 20 0 BCADHM O=C([O-])c1ccc(NCCN2CCCC2)nn1 ZINC000054134773 348892309 /nfs/dbraw/zinc/89/23/09/348892309.db2.gz LXYABWXTRLYCRN-UHFFFAOYSA-N -1 3 236.275 0.683 20 0 BCADHM CCOC(=O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000598665911 349013520 /nfs/dbraw/zinc/01/35/20/349013520.db2.gz SVYCMYHCMJQEBL-UHFFFAOYSA-N -1 3 242.206 0.219 20 0 BCADHM CSCCCNC(=O)c1cc(=O)[n-]cn1 ZINC000599532885 349211159 /nfs/dbraw/zinc/21/11/59/349211159.db2.gz AZCBIFMPTFPQMR-UHFFFAOYSA-N -1 3 227.289 0.665 20 0 BCADHM COCCN(CCC(F)(F)F)CC(=O)[O-] ZINC000070914605 350073930 /nfs/dbraw/zinc/07/39/30/350073930.db2.gz LFSQQSALIXUQIC-UHFFFAOYSA-N -1 3 229.198 0.972 20 0 BCADHM Cc1nc(S(=O)(=O)[N-][C@H](C)C2CC2)cn1C ZINC000170731371 180028374 /nfs/dbraw/zinc/02/83/74/180028374.db2.gz AADUKLVRTIUIIN-SSDOTTSWSA-N -1 3 243.332 0.805 20 0 BCADHM Cc1nc(NC(=O)c2nc[n-]n2)cs1 ZINC000358476736 180014594 /nfs/dbraw/zinc/01/45/94/180014594.db2.gz YIYFNTBIHHOKRV-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]CC2CCC2)cn1C ZINC000066099002 180029273 /nfs/dbraw/zinc/02/92/73/180029273.db2.gz BPPWPHUPTFHRFR-UHFFFAOYSA-N -1 3 243.332 0.807 20 0 BCADHM Cc1cc(C)n(CCCNC(=O)c2c[n-]nn2)n1 ZINC000132590245 191034077 /nfs/dbraw/zinc/03/40/77/191034077.db2.gz DLHQZKIOOBEZPK-UHFFFAOYSA-N -1 3 248.290 0.438 20 0 BCADHM Cc1cc(C)n(CCCNC(=O)c2cnn[n-]2)n1 ZINC000132590245 191034079 /nfs/dbraw/zinc/03/40/79/191034079.db2.gz DLHQZKIOOBEZPK-UHFFFAOYSA-N -1 3 248.290 0.438 20 0 BCADHM Cc1cc(C)n(CCCNC(=O)c2cn[n-]n2)n1 ZINC000132590245 191034082 /nfs/dbraw/zinc/03/40/82/191034082.db2.gz DLHQZKIOOBEZPK-UHFFFAOYSA-N -1 3 248.290 0.438 20 0 BCADHM COC(C)(C)CC(=O)Nc1ccncc1[O-] ZINC000426962369 191050354 /nfs/dbraw/zinc/05/03/54/191050354.db2.gz CIQAJWSRLGKTOF-UHFFFAOYSA-N -1 3 224.260 0.963 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000427728996 191090255 /nfs/dbraw/zinc/09/02/55/191090255.db2.gz TZNRLLQBJFRBLE-VHSXEESVSA-N -1 3 242.319 0.840 20 0 BCADHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]CCF ZINC000280831646 180347675 /nfs/dbraw/zinc/34/76/75/180347675.db2.gz WICQJFCRJKALLK-UHFFFAOYSA-N -1 3 235.284 0.285 20 0 BCADHM C[C@@H](O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000035234216 358456611 /nfs/dbraw/zinc/45/66/11/358456611.db2.gz OKKYCDKXQIVGCY-MRVPVSSYSA-N -1 3 246.266 0.639 20 0 BCADHM Cc1nn(C)c(C)c1CNC(=O)c1c[n-]nn1 ZINC000091326700 180340429 /nfs/dbraw/zinc/34/04/29/180340429.db2.gz SBQFOEKETDNCDY-UHFFFAOYSA-N -1 3 234.263 0.085 20 0 BCADHM Cc1nn(C)c(C)c1CNC(=O)c1cnn[n-]1 ZINC000091326700 180340430 /nfs/dbraw/zinc/34/04/30/180340430.db2.gz SBQFOEKETDNCDY-UHFFFAOYSA-N -1 3 234.263 0.085 20 0 BCADHM Cc1nn(C)c(C)c1CNC(=O)c1cn[n-]n1 ZINC000091326700 180340433 /nfs/dbraw/zinc/34/04/33/180340433.db2.gz SBQFOEKETDNCDY-UHFFFAOYSA-N -1 3 234.263 0.085 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1C[C@H](C)CCN1 ZINC000127053984 490534556 /nfs/dbraw/zinc/53/45/56/490534556.db2.gz WWEXTZZXFQRRKN-OPRDCNLKSA-N -1 3 242.319 0.696 20 0 BCADHM O=S(=O)([N-]Cc1ccncc1)c1c[nH]cn1 ZINC000069947977 350462323 /nfs/dbraw/zinc/46/23/23/350462323.db2.gz HXKHNAWRUMQCSP-UHFFFAOYSA-N -1 3 238.272 0.283 20 0 BCADHM Cn1ncnc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000162971164 350484364 /nfs/dbraw/zinc/48/43/64/350484364.db2.gz NPJQONVLZFZHLR-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM CNC(=O)CCN(C)C(=O)c1cccc([O-])c1 ZINC000227613734 350504156 /nfs/dbraw/zinc/50/41/56/350504156.db2.gz XAAZKCHYVAWMAL-UHFFFAOYSA-N -1 3 236.271 0.600 20 0 BCADHM CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000577493097 365968318 /nfs/dbraw/zinc/96/83/18/365968318.db2.gz SPIISQMRHHOTQD-ZJUUUORDSA-N -1 3 242.319 0.839 20 0 BCADHM CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000577493096 365968392 /nfs/dbraw/zinc/96/83/92/365968392.db2.gz SPIISQMRHHOTQD-NXEZZACHSA-N -1 3 242.319 0.839 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)CCC1CC1)C(=O)OC ZINC000336647287 350564433 /nfs/dbraw/zinc/56/44/33/350564433.db2.gz FONIONOILORJAS-SECBINFHSA-N -1 3 249.332 0.658 20 0 BCADHM CN(Cc1ccon1)Cc1cc(=O)c([O-])co1 ZINC000606901938 350626674 /nfs/dbraw/zinc/62/66/74/350626674.db2.gz DUVFOIIKTRLBGE-UHFFFAOYSA-N -1 3 236.227 0.965 20 0 BCADHM Nc1nc(C2CC2)ncc1-c1nnn[n-]1 ZINC000095217131 350656695 /nfs/dbraw/zinc/65/66/95/350656695.db2.gz ZRWWLVOYNMDDPN-UHFFFAOYSA-N -1 3 203.209 0.116 20 0 BCADHM Nc1nc(C2CC2)ncc1-c1nn[n-]n1 ZINC000095217131 350656697 /nfs/dbraw/zinc/65/66/97/350656697.db2.gz ZRWWLVOYNMDDPN-UHFFFAOYSA-N -1 3 203.209 0.116 20 0 BCADHM O=C(Nc1ccncc1[O-])C12CC(C1)C2 ZINC000626291165 350892920 /nfs/dbraw/zinc/89/29/20/350892920.db2.gz WQJPWMLKAFTSFW-UHFFFAOYSA-N -1 3 204.229 0.948 20 0 BCADHM C[C@@H](O)C(C)(C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626324936 350964639 /nfs/dbraw/zinc/96/46/39/350964639.db2.gz ZCAGXVFSGDHWCH-ZCFIWIBFSA-N -1 3 225.248 0.071 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCc1ncn(C)n1 ZINC000626331474 350980307 /nfs/dbraw/zinc/98/03/07/350980307.db2.gz HUPPAQSLZPUVPO-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N(CCCO)C1CC1 ZINC000626306367 350950739 /nfs/dbraw/zinc/95/07/39/350950739.db2.gz DIUARWKLKDZHBA-UHFFFAOYSA-N -1 3 237.259 0.169 20 0 BCADHM C[C@H](C(=O)[O-])N1CCCC2(C1)OCCO2 ZINC000129276312 351018820 /nfs/dbraw/zinc/01/88/20/351018820.db2.gz SRHFKIWPAFEEEM-MRVPVSSYSA-N -1 3 215.249 0.298 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CNC(=O)C2)c1 ZINC000398336405 351037161 /nfs/dbraw/zinc/03/71/61/351037161.db2.gz KRILGMYHODYCNJ-VIFPVBQESA-N -1 3 248.282 0.567 20 0 BCADHM CC(C)C[C@H](NC(=O)[C@@H](C)NC1CC1)C(=O)[O-] ZINC000382936549 351062741 /nfs/dbraw/zinc/06/27/41/351062741.db2.gz HKMKEHTYJSNJJJ-SCZZXKLOSA-N -1 3 242.319 0.742 20 0 BCADHM COC1(CNC(=O)c2cc(=O)[n-]cn2)CCC1 ZINC000626399594 351128349 /nfs/dbraw/zinc/12/83/49/351128349.db2.gz NYNYRRBHFVJODX-UHFFFAOYSA-N -1 3 237.259 0.481 20 0 BCADHM COC[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C(C)C ZINC000083400494 351232637 /nfs/dbraw/zinc/23/26/37/351232637.db2.gz FMILRUXQZROIFA-QMMMGPOBSA-N -1 3 247.320 0.359 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@@H]1CCCO1 ZINC000631637356 351340837 /nfs/dbraw/zinc/34/08/37/351340837.db2.gz UKJIFDDIKXMROP-QMMMGPOBSA-N -1 3 246.288 0.440 20 0 BCADHM COC1CCN(C(=O)c2cc(=O)[n-]cn2)CC1 ZINC000623615622 363055877 /nfs/dbraw/zinc/05/58/77/363055877.db2.gz MBNNUFIJNSTLAE-UHFFFAOYSA-N -1 3 237.259 0.433 20 0 BCADHM Nc1n[nH]c(SCc2cc(=O)c([O-])co2)n1 ZINC000037022200 358466775 /nfs/dbraw/zinc/46/67/75/358466775.db2.gz IHBVFGBVHNWDTF-UHFFFAOYSA-N -1 3 240.244 0.338 20 0 BCADHM CC(C)[C@H](CO)[N-]S(=O)(=O)c1ccccn1 ZINC000340080816 351882805 /nfs/dbraw/zinc/88/28/05/351882805.db2.gz LEKHFBXRVFDCTR-VIFPVBQESA-N -1 3 244.316 0.377 20 0 BCADHM CCc1cnc(C[N-]S(=O)(=O)C2COC2)o1 ZINC000281618289 351900331 /nfs/dbraw/zinc/90/03/31/351900331.db2.gz ZTIWJIQDSFLHAX-UHFFFAOYSA-N -1 3 246.288 0.055 20 0 BCADHM Cn1cc(S(=O)(=O)[N-]CCCCF)cn1 ZINC000360244514 180663712 /nfs/dbraw/zinc/66/37/12/180663712.db2.gz CAQXJQQOTFCSNF-UHFFFAOYSA-N -1 3 235.284 0.448 20 0 BCADHM CC[C@@H](OC)C(=O)[N-]c1nncn1C1CC1 ZINC000285953121 352067317 /nfs/dbraw/zinc/06/73/17/352067317.db2.gz VOSFMIAWNQVZJU-MRVPVSSYSA-N -1 3 224.264 0.977 20 0 BCADHM C[C@@H]1NCCN(C(=O)c2cc(=O)[n-]cn2)[C@H]1C ZINC000638206669 352069303 /nfs/dbraw/zinc/06/93/03/352069303.db2.gz MUWSNPFNFGUBNZ-YUMQZZPRSA-N -1 3 236.275 0.005 20 0 BCADHM C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000638206666 352069320 /nfs/dbraw/zinc/06/93/20/352069320.db2.gz MUWSNPFNFGUBNZ-JGVFFNPUSA-N -1 3 236.275 0.005 20 0 BCADHM O=C(C[C@@H]1CC(=O)N1)Nc1ccc([O-])cc1F ZINC000613329885 363110357 /nfs/dbraw/zinc/11/03/57/363110357.db2.gz BTFKTUAYSBCMSJ-LURJTMIESA-N -1 3 238.218 0.748 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCC(=O)N(C)C)c1 ZINC000037207206 358470640 /nfs/dbraw/zinc/47/06/40/358470640.db2.gz ASMKMXJWIUPAKF-UHFFFAOYSA-N -1 3 236.271 0.519 20 0 BCADHM CC(C)(C)[C@@H](CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626415466 352369981 /nfs/dbraw/zinc/36/99/81/352369981.db2.gz COXGZLXAVNQGCN-MRVPVSSYSA-N -1 3 239.275 0.319 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1ccncc1 ZINC000278608933 187688342 /nfs/dbraw/zinc/68/83/42/187688342.db2.gz LPQSSUSNGPBKRO-UHFFFAOYSA-N -1 3 238.287 0.833 20 0 BCADHM CCCCS(=O)(=O)[N-]Cc1nc(CC)no1 ZINC000340584091 352487504 /nfs/dbraw/zinc/48/75/04/352487504.db2.gz WYWKBINXIJLTEE-UHFFFAOYSA-N -1 3 247.320 0.852 20 0 BCADHM CCN(Cc1nc(=O)n(C)[n-]1)C1CCCC1 ZINC000341991527 352736835 /nfs/dbraw/zinc/73/68/35/352736835.db2.gz OFDJPJJONMRXJK-UHFFFAOYSA-N -1 3 224.308 0.873 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC2(O)CCC2)o1 ZINC000334238783 352857949 /nfs/dbraw/zinc/85/79/49/352857949.db2.gz KEKSJICTTIHUBB-UHFFFAOYSA-N -1 3 245.300 0.781 20 0 BCADHM CC(C)[C@@](C)([N-]C(=O)C(F)F)C(N)=O ZINC000287700587 187921267 /nfs/dbraw/zinc/92/12/67/187921267.db2.gz DZXDIBLCVHHRPV-MRVPVSSYSA-N -1 3 208.208 0.268 20 0 BCADHM CC(=O)N1CC(C(=O)Nc2ncccc2[O-])C1 ZINC000187874929 188001317 /nfs/dbraw/zinc/00/13/17/188001317.db2.gz MOGOGNNAHOZORB-UHFFFAOYSA-N -1 3 235.243 0.204 20 0 BCADHM C[C@H](C[C@H](C)O)NC(=O)c1cc(=O)[n-]cn1 ZINC000626421981 353106287 /nfs/dbraw/zinc/10/62/87/353106287.db2.gz QSQXSTLPHPGPHZ-RQJHMYQMSA-N -1 3 225.248 0.071 20 0 BCADHM C[C@@H]1C[C@H](C)CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000334414172 353096905 /nfs/dbraw/zinc/09/69/05/353096905.db2.gz MGCGGQTZINEAHU-DTORHVGOSA-N -1 3 224.308 0.586 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CC[C@@H](C)F)c1 ZINC000339036517 188018623 /nfs/dbraw/zinc/01/86/23/188018623.db2.gz UTKOYOPLYHSBTL-MRVPVSSYSA-N -1 3 249.311 0.929 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C2=COCCO2)n1 ZINC000273477401 188027430 /nfs/dbraw/zinc/02/74/30/188027430.db2.gz KNINJSZGWNWLRH-UHFFFAOYSA-N -1 3 236.227 0.922 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Cc1cccnc1 ZINC000278559416 188031082 /nfs/dbraw/zinc/03/10/82/188031082.db2.gz HSSVVTPFLHKNON-UHFFFAOYSA-N -1 3 224.260 0.443 20 0 BCADHM [O-]c1ccc(F)c(CNCCO)c1F ZINC000293579505 188037455 /nfs/dbraw/zinc/03/74/55/188037455.db2.gz JQYLPADWLSLPJV-UHFFFAOYSA-N -1 3 203.188 0.752 20 0 BCADHM CC(=O)NCC(=O)Nc1c(C)cccc1[O-] ZINC000336480314 188057032 /nfs/dbraw/zinc/05/70/32/188057032.db2.gz FBNVXCLTKKTCQV-UHFFFAOYSA-N -1 3 222.244 0.775 20 0 BCADHM O=C(C[C@@H]1CC(=O)N1)Nc1ncccc1[O-] ZINC000613425620 363208749 /nfs/dbraw/zinc/20/87/49/363208749.db2.gz COSAVHZFKQZDHK-LURJTMIESA-N -1 3 221.216 0.004 20 0 BCADHM CCc1nc([N-]C(=O)c2cncc(OC)n2)n[nH]1 ZINC000357662518 188239999 /nfs/dbraw/zinc/23/99/99/188239999.db2.gz WBFYJJNUPXPXDR-UHFFFAOYSA-N -1 3 248.246 0.418 20 0 BCADHM C/C=C/C[C@H]([N-]S(C)(=O)=O)C(=O)OCC ZINC000332466001 188275785 /nfs/dbraw/zinc/27/57/85/188275785.db2.gz KDTQYCRCBJGOON-JQTRYQTASA-N -1 3 235.305 0.434 20 0 BCADHM Cc1ccc([O-])c(CNCCNC(=O)C2CC2)n1 ZINC000134333694 188259080 /nfs/dbraw/zinc/25/90/80/188259080.db2.gz MKWVQPYLZJWLBQ-UHFFFAOYSA-N -1 3 249.314 0.711 20 0 BCADHM O=C(Nc1nc(C2CC2)c[nH]1)c1nc[n-]n1 ZINC000289345007 188389534 /nfs/dbraw/zinc/38/95/34/188389534.db2.gz KVJRUCMOYQJNLY-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM Cc1nc(C)c(CCC(=O)NCC2CC2)c(=O)[n-]1 ZINC000193227539 353577674 /nfs/dbraw/zinc/57/76/74/353577674.db2.gz UMFZOGIUVNCZFP-UHFFFAOYSA-N -1 3 249.314 0.846 20 0 BCADHM CN(C(=O)c1cccc([O-])c1)[C@H]1CCNC1=O ZINC000334538982 353926306 /nfs/dbraw/zinc/92/63/06/353926306.db2.gz ZNAVWGKMLRWIRL-JTQLQIEISA-N -1 3 234.255 0.353 20 0 BCADHM Cc1ncc(CNC(=O)NCC(F)F)c(=O)[n-]1 ZINC000343898789 354053185 /nfs/dbraw/zinc/05/31/85/354053185.db2.gz YGPXSVKFAJHKDE-UHFFFAOYSA-N -1 3 246.217 0.555 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCC[C@H]2C[C@H]21 ZINC000627137160 363355192 /nfs/dbraw/zinc/35/51/92/363355192.db2.gz RLLCFAMRHYWZPB-IONNQARKSA-N -1 3 219.244 0.807 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2CCCN(C)C2=O)n1 ZINC000344603387 354324119 /nfs/dbraw/zinc/32/41/19/354324119.db2.gz PANCZYXPPTZGSL-JTQLQIEISA-N -1 3 249.314 0.806 20 0 BCADHM CCOCCN1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000332404065 134004819 /nfs/dbraw/zinc/00/48/19/134004819.db2.gz LESLODJYWIPJEV-VIFPVBQESA-N -1 3 239.323 0.401 20 0 BCADHM NC(=O)NCC(=O)Nc1ccc([O-])cc1F ZINC000345019530 354397120 /nfs/dbraw/zinc/39/71/20/354397120.db2.gz NIWTZXSTOAPGQG-UHFFFAOYSA-N -1 3 227.195 0.138 20 0 BCADHM CCc1cc(C(=O)N2CC(=O)N(C)C2)ccc1[O-] ZINC000334641211 354397143 /nfs/dbraw/zinc/39/71/43/354397143.db2.gz PFHCWHKVKYQVNG-UHFFFAOYSA-N -1 3 248.282 0.826 20 0 BCADHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@H](O)C2)on1 ZINC000074313567 354602140 /nfs/dbraw/zinc/60/21/40/354602140.db2.gz HWVISHWAYOHEPF-IUCAKERBSA-N -1 3 239.275 0.377 20 0 BCADHM C[C@@]1(CNC(=O)c2ccccc2[O-])CCC(=O)N1 ZINC000334755458 354576998 /nfs/dbraw/zinc/57/69/98/354576998.db2.gz NYJLVIMYLGVFSG-ZDUSSCGKSA-N -1 3 248.282 0.791 20 0 BCADHM O=S(=O)([N-][C@H]1CCOC1)c1cncc(F)c1 ZINC000345361280 354632419 /nfs/dbraw/zinc/63/24/19/354632419.db2.gz YGLFAAKUGJDZRS-QMMMGPOBSA-N -1 3 246.263 0.288 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)CC2CC2)CC1 ZINC000345550644 354710958 /nfs/dbraw/zinc/71/09/58/354710958.db2.gz YDUNERODFSVTKH-UHFFFAOYSA-N -1 3 233.289 0.021 20 0 BCADHM C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000335140496 354844350 /nfs/dbraw/zinc/84/43/50/354844350.db2.gz SRONCUYDKWWMBY-ZETCQYMHSA-N -1 3 229.305 0.689 20 0 BCADHM C[C@@H]1C[C@H](CN=c2ncnc3[nH][n-]cc2-3)[C@H](C)O1 ZINC000413526013 191392313 /nfs/dbraw/zinc/39/23/13/191392313.db2.gz AXTRCDCHUUYSOD-HRDYMLBCSA-N -1 3 247.302 0.952 20 0 BCADHM CC[C@@H](N=c1ncnc2[nH][n-]cc1-2)[C@@H](O)C(C)C ZINC000413545346 191394848 /nfs/dbraw/zinc/39/48/48/191394848.db2.gz QYLMGSYQXAJMDL-ZJUUUORDSA-N -1 3 249.318 0.934 20 0 BCADHM CCn1c(=O)[n-]nc1S[C@@H]1CCCNC1=O ZINC000335789828 355440797 /nfs/dbraw/zinc/44/07/97/355440797.db2.gz ZTMQPCHUVBHIJH-ZCFIWIBFSA-N -1 3 242.304 0.374 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)NCc1ncccc1[O-] ZINC000335801056 355494359 /nfs/dbraw/zinc/49/43/59/355494359.db2.gz WSXVJSAZDOVXNI-HTQZYQBOSA-N -1 3 221.260 0.995 20 0 BCADHM Cn1[n-]c(CN2CC[C@@H](C(C)(C)C)C2)nc1=O ZINC000335811053 355496272 /nfs/dbraw/zinc/49/62/72/355496272.db2.gz QOMKBXFVJHHUMT-SECBINFHSA-N -1 3 238.335 0.976 20 0 BCADHM CN(CC(C)(C)O)C(=O)c1csc(=O)[n-]1 ZINC000350125332 355609038 /nfs/dbraw/zinc/60/90/38/355609038.db2.gz OFKGINAPIRMHLE-UHFFFAOYSA-N -1 3 230.289 0.692 20 0 BCADHM Cc1cnccc1NC([O-])=C(N)C(F)(F)F ZINC000335869946 355636001 /nfs/dbraw/zinc/63/60/01/355636001.db2.gz FUIAJQFEHINUBG-ZETCQYMHSA-N -1 3 233.193 0.640 20 0 BCADHM CC1CN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000334398240 535289261 /nfs/dbraw/zinc/28/92/61/535289261.db2.gz DGRBDJYGCNZENB-UHFFFAOYSA-N -1 3 248.282 0.600 20 0 BCADHM NC(=O)CO[N-]C(=O)C1=CCCCCC1 ZINC000132013224 181238513 /nfs/dbraw/zinc/23/85/13/181238513.db2.gz VRPJMXKJSPCHSX-UHFFFAOYSA-N -1 3 212.249 0.410 20 0 BCADHM C/C=C\C[C@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000351563902 356018812 /nfs/dbraw/zinc/01/88/12/356018812.db2.gz PPCQWZMPFIINOT-YAJNLLPGSA-N -1 3 233.275 0.465 20 0 BCADHM C/C=C/C[C@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000351563901 356018886 /nfs/dbraw/zinc/01/88/86/356018886.db2.gz PPCQWZMPFIINOT-UFUPEUMYSA-N -1 3 233.275 0.465 20 0 BCADHM CC1(C)CN(C(=O)c2csc(=O)[n-]2)C[C@H]1O ZINC000329974492 356154224 /nfs/dbraw/zinc/15/42/24/356154224.db2.gz XKHMEKHWBLMSEL-SSDOTTSWSA-N -1 3 242.300 0.692 20 0 BCADHM NC(=O)NCCC(=O)Nc1cc(F)ccc1[O-] ZINC000342162113 181258204 /nfs/dbraw/zinc/25/82/04/181258204.db2.gz NLRKBFILGKKEFK-UHFFFAOYSA-N -1 3 241.222 0.528 20 0 BCADHM NC(=O)[N-]C(=O)OCCCSc1ncc[nH]1 ZINC000269349802 181255765 /nfs/dbraw/zinc/25/57/65/181255765.db2.gz JDNPLTZRSUTPOS-UHFFFAOYSA-N -1 3 244.276 0.697 20 0 BCADHM CC[C@@H](C)CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000617637056 356232999 /nfs/dbraw/zinc/23/29/99/356232999.db2.gz MTPGIHPGJCJOOH-MRVPVSSYSA-N -1 3 241.291 0.091 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](O)C2)n1 ZINC000192573372 356206072 /nfs/dbraw/zinc/20/60/72/356206072.db2.gz PRQNHDYHIULWHL-RKDXNWHRSA-N -1 3 223.276 0.618 20 0 BCADHM CC[C@H](C)CCNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000617638338 356241218 /nfs/dbraw/zinc/24/12/18/356241218.db2.gz LOQKCRDFYIBMEL-YUMQZZPRSA-N -1 3 241.291 0.137 20 0 BCADHM NC(=O)[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000042406707 181267370 /nfs/dbraw/zinc/26/73/70/181267370.db2.gz FFGSEUWZXNJNNQ-NSHDSACASA-N -1 3 248.282 0.872 20 0 BCADHM CCNCC[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000420411259 192239353 /nfs/dbraw/zinc/23/93/53/192239353.db2.gz BIAUEIZEEQCJFR-ZCFIWIBFSA-N -1 3 248.270 0.466 20 0 BCADHM CCn1nncc1C(=O)NCc1ncccc1[O-] ZINC000352210906 134107836 /nfs/dbraw/zinc/10/78/36/134107836.db2.gz IKYJGOMYBPIIJW-UHFFFAOYSA-N -1 3 247.258 0.329 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)[C@H]2C[C@@H]2C)n1 ZINC000609835537 356481313 /nfs/dbraw/zinc/48/13/13/356481313.db2.gz GIOMHMWZVSREMK-WDSKDSINSA-N -1 3 238.247 0.115 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)[C@H]2C[C@@H]2C)[n-]1 ZINC000609835537 356481315 /nfs/dbraw/zinc/48/13/15/356481315.db2.gz GIOMHMWZVSREMK-WDSKDSINSA-N -1 3 238.247 0.115 20 0 BCADHM COC(=O)Cc1nc(NC(=O)[C@H]2C[C@@H]2C)n[n-]1 ZINC000609835537 356481318 /nfs/dbraw/zinc/48/13/18/356481318.db2.gz GIOMHMWZVSREMK-WDSKDSINSA-N -1 3 238.247 0.115 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)C1CCCC1 ZINC000291411232 181286137 /nfs/dbraw/zinc/28/61/37/181286137.db2.gz GJTVWBBOJRUVFN-UHFFFAOYSA-N -1 3 223.236 0.032 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)C1CCCC1 ZINC000291411232 181286138 /nfs/dbraw/zinc/28/61/38/181286138.db2.gz GJTVWBBOJRUVFN-UHFFFAOYSA-N -1 3 223.236 0.032 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)C1CCCC1 ZINC000291411232 181286139 /nfs/dbraw/zinc/28/61/39/181286139.db2.gz GJTVWBBOJRUVFN-UHFFFAOYSA-N -1 3 223.236 0.032 20 0 BCADHM CC(C)n1cc(NC(=O)c2nc[n-]n2)cn1 ZINC000087444045 366290320 /nfs/dbraw/zinc/29/03/20/366290320.db2.gz UYRVLCRUIKHQON-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM COCc1noc(-c2ccc(C(=O)OC)[n-]2)n1 ZINC000350526082 366290472 /nfs/dbraw/zinc/29/04/72/366290472.db2.gz LFPCSDVHDJQCNJ-UHFFFAOYSA-N -1 3 237.215 0.998 20 0 BCADHM CO[C@@H](C(=O)[N-]c1nncn1C)C1CCC1 ZINC000613537721 363479364 /nfs/dbraw/zinc/47/93/64/363479364.db2.gz IOOJOXLECDQMKF-MRVPVSSYSA-N -1 3 224.264 0.569 20 0 BCADHM Cc1nnc([C@H](C)NC(=O)c2cc(=O)[n-]cn2)[nH]1 ZINC000627203086 363499694 /nfs/dbraw/zinc/49/96/94/363499694.db2.gz CVIJECWFAZKKRM-YFKPBYRVSA-N -1 3 248.246 0.100 20 0 BCADHM C[C@@H](CO)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000450299445 202123852 /nfs/dbraw/zinc/12/38/52/202123852.db2.gz CWXMODJSUGJKCN-QMMMGPOBSA-N -1 3 241.262 0.913 20 0 BCADHM COC(=O)c1[nH]c(C)cc1[N-]S(C)(=O)=O ZINC000609910028 356651190 /nfs/dbraw/zinc/65/11/90/356651190.db2.gz FNJVQYUAEYBRKW-UHFFFAOYSA-N -1 3 232.261 0.481 20 0 BCADHM C[C@@H](C1CC1)N(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC000091539100 491099313 /nfs/dbraw/zinc/09/93/13/491099313.db2.gz HLLJYEUCKBWZQK-ZETCQYMHSA-N -1 3 222.292 0.861 20 0 BCADHM O=C(NCC[C@H]1CCCO1)c1c[n-]nn1 ZINC000088342113 356663308 /nfs/dbraw/zinc/66/33/08/356663308.db2.gz RBVKZBAPZJOYGL-SSDOTTSWSA-N -1 3 210.237 0.104 20 0 BCADHM O=C(NCC[C@H]1CCCO1)c1cnn[n-]1 ZINC000088342113 356663312 /nfs/dbraw/zinc/66/33/12/356663312.db2.gz RBVKZBAPZJOYGL-SSDOTTSWSA-N -1 3 210.237 0.104 20 0 BCADHM O=C(NCC[C@H]1CCCO1)c1cn[n-]n1 ZINC000088342113 356663315 /nfs/dbraw/zinc/66/33/15/356663315.db2.gz RBVKZBAPZJOYGL-SSDOTTSWSA-N -1 3 210.237 0.104 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC(C(F)(F)F)C1 ZINC000623329113 356665451 /nfs/dbraw/zinc/66/54/51/356665451.db2.gz PLHFORXUSOYTAE-UHFFFAOYSA-N -1 3 247.176 0.817 20 0 BCADHM Cn1cc(C[S@@](=O)c2cccc([O-])c2)nn1 ZINC000542689170 325041298 /nfs/dbraw/zinc/04/12/98/325041298.db2.gz QMQBGOYZADQYQE-MRXNPFEDSA-N -1 3 237.284 0.829 20 0 BCADHM C[C@@H]1CC[C@@H](C(=O)[N-]c2nncn2C)O1 ZINC000163080603 202172717 /nfs/dbraw/zinc/17/27/17/202172717.db2.gz CLNBFBOIICMREX-RQJHMYQMSA-N -1 3 210.237 0.321 20 0 BCADHM CC(C)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000623369119 356871983 /nfs/dbraw/zinc/87/19/83/356871983.db2.gz OYLVVUGTIDHKNA-UHFFFAOYSA-N -1 3 209.249 0.958 20 0 BCADHM C[C@H](CC(C)(C)O)NC(=O)c1c[n-]nn1 ZINC000385162507 356912928 /nfs/dbraw/zinc/91/29/28/356912928.db2.gz LJKBKUGAPLRDKN-ZCFIWIBFSA-N -1 3 212.253 0.084 20 0 BCADHM C[C@H](CC(C)(C)O)NC(=O)c1cnn[n-]1 ZINC000385162507 356912932 /nfs/dbraw/zinc/91/29/32/356912932.db2.gz LJKBKUGAPLRDKN-ZCFIWIBFSA-N -1 3 212.253 0.084 20 0 BCADHM C[C@H](CC(C)(C)O)NC(=O)c1cn[n-]n1 ZINC000385162507 356912934 /nfs/dbraw/zinc/91/29/34/356912934.db2.gz LJKBKUGAPLRDKN-ZCFIWIBFSA-N -1 3 212.253 0.084 20 0 BCADHM CCO[C@H](C(=O)[N-]c1nncn1C)C1CC1 ZINC000626466130 356999348 /nfs/dbraw/zinc/99/93/48/356999348.db2.gz KFKQSWNBTVYZIA-QMMMGPOBSA-N -1 3 224.264 0.569 20 0 BCADHM CCO[C@@H](C(=O)[N-]c1nncn1C)C(C)C ZINC000626465987 356999450 /nfs/dbraw/zinc/99/94/50/356999450.db2.gz DKOCJUXWXUZOOY-MRVPVSSYSA-N -1 3 226.280 0.815 20 0 BCADHM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000626523398 357175315 /nfs/dbraw/zinc/17/53/15/357175315.db2.gz XFZRHQRTHRTYMW-YUMQZZPRSA-N -1 3 237.259 0.071 20 0 BCADHM O=C(CCc1c[nH]cn1)NCc1ncccc1[O-] ZINC000357472554 538829141 /nfs/dbraw/zinc/82/91/41/538829141.db2.gz RMZKINMWWUIBLP-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM O=C(CCc1cnc[nH]1)NCc1ncccc1[O-] ZINC000357472554 538829147 /nfs/dbraw/zinc/82/91/47/538829147.db2.gz RMZKINMWWUIBLP-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM N[C@@H](C(=O)NCc1ncccc1[O-])C1CCC1 ZINC000582962016 357439071 /nfs/dbraw/zinc/43/90/71/357439071.db2.gz ANWVEKFVHSAEIR-LLVKDONJSA-N -1 3 235.287 0.531 20 0 BCADHM CC(C)([N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000230615235 357541013 /nfs/dbraw/zinc/54/10/13/357541013.db2.gz KZNDCPLMGNGDRB-UHFFFAOYSA-N -1 3 229.305 0.877 20 0 BCADHM O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1c[n-]nn1 ZINC000189323319 357632757 /nfs/dbraw/zinc/63/27/57/357632757.db2.gz YQFLLMDRZCJJSR-ZXFLCMHBSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cnn[n-]1 ZINC000189323319 357632759 /nfs/dbraw/zinc/63/27/59/357632759.db2.gz YQFLLMDRZCJJSR-ZXFLCMHBSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cn[n-]n1 ZINC000189323319 357632764 /nfs/dbraw/zinc/63/27/64/357632764.db2.gz YQFLLMDRZCJJSR-ZXFLCMHBSA-N -1 3 222.248 0.102 20 0 BCADHM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1c[nH]cn1 ZINC000397832720 357720345 /nfs/dbraw/zinc/72/03/45/357720345.db2.gz RYWWZMSOUWJAJW-RNLVFQAGSA-N -1 3 227.289 0.487 20 0 BCADHM CCCC[C@H](NC(=O)[C@H](N)C1CCC1)C(=O)[O-] ZINC000399127202 357896904 /nfs/dbraw/zinc/89/69/04/357896904.db2.gz LADVMCAAKLEJPA-VHSXEESVSA-N -1 3 242.319 0.873 20 0 BCADHM CC(C)=CC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335378630 535371295 /nfs/dbraw/zinc/37/12/95/535371295.db2.gz IWJULBDVYKREAP-UHFFFAOYSA-N -1 3 229.305 0.665 20 0 BCADHM O=C([O-])c1cnccc1N1CCn2cncc2C1 ZINC000583324715 357905594 /nfs/dbraw/zinc/90/55/94/357905594.db2.gz IBQYJRREBXZNDN-UHFFFAOYSA-N -1 3 244.254 0.997 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000180165275 366387209 /nfs/dbraw/zinc/38/72/09/366387209.db2.gz LNSZOXMXSGYIKR-ZCFIWIBFSA-N -1 3 248.242 0.249 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000180165275 366387211 /nfs/dbraw/zinc/38/72/11/366387211.db2.gz LNSZOXMXSGYIKR-ZCFIWIBFSA-N -1 3 248.242 0.249 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000180165275 366387214 /nfs/dbraw/zinc/38/72/14/366387214.db2.gz LNSZOXMXSGYIKR-ZCFIWIBFSA-N -1 3 248.242 0.249 20 0 BCADHM C[C@H](CO)[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000180176740 366388671 /nfs/dbraw/zinc/38/86/71/366388671.db2.gz NFEPEOAFQQOZJH-SFYZADRCSA-N -1 3 248.286 0.705 20 0 BCADHM C[C@H](CO)[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000180176740 366388678 /nfs/dbraw/zinc/38/86/78/366388678.db2.gz NFEPEOAFQQOZJH-SFYZADRCSA-N -1 3 248.286 0.705 20 0 BCADHM C[C@H](CO)[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000180176740 366388683 /nfs/dbraw/zinc/38/86/83/366388683.db2.gz NFEPEOAFQQOZJH-SFYZADRCSA-N -1 3 248.286 0.705 20 0 BCADHM C[C@@H](CO)[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000180176723 366389585 /nfs/dbraw/zinc/38/95/85/366389585.db2.gz NFEPEOAFQQOZJH-YUMQZZPRSA-N -1 3 248.286 0.705 20 0 BCADHM C[C@@H](CO)[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000180176723 366389590 /nfs/dbraw/zinc/38/95/90/366389590.db2.gz NFEPEOAFQQOZJH-YUMQZZPRSA-N -1 3 248.286 0.705 20 0 BCADHM C[C@@H](CO)[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000180176723 366389594 /nfs/dbraw/zinc/38/95/94/366389594.db2.gz NFEPEOAFQQOZJH-YUMQZZPRSA-N -1 3 248.286 0.705 20 0 BCADHM C[C@@H](C[S@@](C)=O)Nc1ccncc1C(=O)[O-] ZINC000229012222 358344341 /nfs/dbraw/zinc/34/43/41/358344341.db2.gz KMHTYXZDAGFHNC-HYORBCNSSA-N -1 3 242.300 0.959 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CCSC1)c1c[nH]cn1 ZINC000228601970 358381731 /nfs/dbraw/zinc/38/17/31/358381731.db2.gz HGYBEXNXEZMKSR-ZETCQYMHSA-N -1 3 247.345 0.441 20 0 BCADHM O=S(=O)([N-]CC[C@@H]1CCOC1)c1c[nH]cn1 ZINC000230140706 358394782 /nfs/dbraw/zinc/39/47/82/358394782.db2.gz CXACWNQQYCUIEJ-MRVPVSSYSA-N -1 3 245.304 0.115 20 0 BCADHM Cc1cc([N-]C(=O)Cn2ccnc2)on1 ZINC000048412601 358634104 /nfs/dbraw/zinc/63/41/04/358634104.db2.gz BLDMXGMONTZKLY-UHFFFAOYSA-N -1 3 206.205 0.818 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)C[C@H]2CCCO2)n1 ZINC000175633255 134286946 /nfs/dbraw/zinc/28/69/46/134286946.db2.gz DAIYFRBEUJCIOX-SSDOTTSWSA-N -1 3 245.304 0.320 20 0 BCADHM CCc1nnc(S(=O)(=O)C[C@H]2CCCO2)[n-]1 ZINC000175633255 134286947 /nfs/dbraw/zinc/28/69/47/134286947.db2.gz DAIYFRBEUJCIOX-SSDOTTSWSA-N -1 3 245.304 0.320 20 0 BCADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)CCO1 ZINC000219866114 134292100 /nfs/dbraw/zinc/29/21/00/134292100.db2.gz GIKVTBGVKFMUKW-JGVFFNPUSA-N -1 3 245.304 0.256 20 0 BCADHM O=C(NCc1ccc(O)cc1)c1c[n-]nn1 ZINC000136143679 358865241 /nfs/dbraw/zinc/86/52/41/358865241.db2.gz WYACSRSTQSXCPX-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM O=C(NCc1ccc(O)cc1)c1cnn[n-]1 ZINC000136143679 358865243 /nfs/dbraw/zinc/86/52/43/358865243.db2.gz WYACSRSTQSXCPX-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM O=C(NCc1ccc(O)cc1)c1cn[n-]n1 ZINC000136143679 358865246 /nfs/dbraw/zinc/86/52/46/358865246.db2.gz WYACSRSTQSXCPX-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM NC(=O)CCCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351369918 366518434 /nfs/dbraw/zinc/51/84/34/366518434.db2.gz LXYIDAJTTBFGQG-UHFFFAOYSA-N -1 3 249.230 0.040 20 0 BCADHM C[C@@]1(c2nc(-c3cc(=O)[n-]cn3)no2)CCOC1 ZINC000351377742 366519609 /nfs/dbraw/zinc/51/96/09/366519609.db2.gz VGIQFXUAAMTDPO-LLVKDONJSA-N -1 3 248.242 0.910 20 0 BCADHM CC(=O)CN(C(=O)c1cc(=O)[n-]cn1)C(C)C ZINC000633218883 358896555 /nfs/dbraw/zinc/89/65/55/358896555.db2.gz IGSHVZSXGFLNLZ-UHFFFAOYSA-N -1 3 237.259 0.622 20 0 BCADHM O=S(=O)([N-]C[C@H]1CCCOC1)c1c[nH]cn1 ZINC000069948753 359036373 /nfs/dbraw/zinc/03/63/73/359036373.db2.gz ZDRHYMSHJYCMIK-MRVPVSSYSA-N -1 3 245.304 0.115 20 0 BCADHM O=S(=O)([N-]CCc1ccco1)c1c[nH]cn1 ZINC000069948756 359036625 /nfs/dbraw/zinc/03/66/25/359036625.db2.gz YIYGDXXMQABHFT-UHFFFAOYSA-N -1 3 241.272 0.524 20 0 BCADHM COC(=O)c1cc(C(=O)[N-]c2cc[nH]n2)on1 ZINC000611487102 359377667 /nfs/dbraw/zinc/37/76/67/359377667.db2.gz XZCFSUCSRSLWRU-UHFFFAOYSA-N -1 3 236.187 0.437 20 0 BCADHM CC1(C)CN(C(=O)c2cc(=O)[n-]cn2)C[C@H]1O ZINC000626714895 359528598 /nfs/dbraw/zinc/52/85/98/359528598.db2.gz NFWYOFOZLBQKRI-MRVPVSSYSA-N -1 3 237.259 0.025 20 0 BCADHM CO[C@@H]([C@@H](C)N=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000450865149 202293479 /nfs/dbraw/zinc/29/34/79/202293479.db2.gz WGBYHILKEKHYTB-XCBNKYQSSA-N -1 3 247.302 0.952 20 0 BCADHM CO[C@H]([C@H](C)N=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000450865148 202293579 /nfs/dbraw/zinc/29/35/79/202293579.db2.gz WGBYHILKEKHYTB-OIBJUYFYSA-N -1 3 247.302 0.952 20 0 BCADHM CO[C@H]([C@@H](C)N=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000450865147 202293806 /nfs/dbraw/zinc/29/38/06/202293806.db2.gz WGBYHILKEKHYTB-GMSGAONNSA-N -1 3 247.302 0.952 20 0 BCADHM COc1cccc(C(=O)NCC(C)(C)O)c1[O-] ZINC000087030694 359895072 /nfs/dbraw/zinc/89/50/72/359895072.db2.gz ASVLTMAUMYHCAT-UHFFFAOYSA-N -1 3 239.271 0.902 20 0 BCADHM CC[C@@H](CO)[N@H+](C)Cc1ncccc1[O-] ZINC000578714299 366629198 /nfs/dbraw/zinc/62/91/98/366629198.db2.gz OVAZFJAZZPKPSO-VIFPVBQESA-N -1 3 210.277 0.990 20 0 BCADHM CC[C@@H](CO)N(C)Cc1ncccc1[O-] ZINC000578714299 366629204 /nfs/dbraw/zinc/62/92/04/366629204.db2.gz OVAZFJAZZPKPSO-VIFPVBQESA-N -1 3 210.277 0.990 20 0 BCADHM CC(C)n1nccc1NC(=O)c1cnn[n-]1 ZINC000088342103 359948874 /nfs/dbraw/zinc/94/88/74/359948874.db2.gz RKJVWDHRPXUKOQ-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM CC(C)n1nccc1NC(=O)c1c[n-]nn1 ZINC000088342103 359948875 /nfs/dbraw/zinc/94/88/75/359948875.db2.gz RKJVWDHRPXUKOQ-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM CC(C)n1nccc1NC(=O)c1cn[n-]n1 ZINC000088342103 359948877 /nfs/dbraw/zinc/94/88/77/359948877.db2.gz RKJVWDHRPXUKOQ-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM CC(=O)C[C@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000612793371 360060001 /nfs/dbraw/zinc/06/00/01/360060001.db2.gz ISWVQXWLGYHESW-QMMMGPOBSA-N -1 3 236.271 0.814 20 0 BCADHM CC[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC000092617133 360184595 /nfs/dbraw/zinc/18/45/95/360184595.db2.gz OOCZVNKGVHZOJI-QMMMGPOBSA-N -1 3 210.281 0.863 20 0 BCADHM O=C(C[C@@H]1CC(=O)N1)Nc1cc(F)ccc1[O-] ZINC000613029328 360276529 /nfs/dbraw/zinc/27/65/29/360276529.db2.gz ZHILBBLYMFEQNU-ZETCQYMHSA-N -1 3 238.218 0.748 20 0 BCADHM CC[C@](C)(CO)NC(=O)Cc1cncc([O-])c1 ZINC000613030508 360277576 /nfs/dbraw/zinc/27/75/76/360277576.db2.gz KPBBXIXKSAVKDA-GFCCVEGCSA-N -1 3 238.287 0.607 20 0 BCADHM NC(=O)c1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000095039283 360332368 /nfs/dbraw/zinc/33/23/68/360332368.db2.gz LBULTBBEKHRQBC-UHFFFAOYSA-N -1 3 231.215 0.156 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H](O)C2CC2)n1 ZINC000614163473 363727871 /nfs/dbraw/zinc/72/78/71/363727871.db2.gz BNJJYUSQQBVTFV-VIFPVBQESA-N -1 3 222.244 0.805 20 0 BCADHM O=C(NCCCOC(F)F)c1cc(=O)[n-]cn1 ZINC000626940791 360525024 /nfs/dbraw/zinc/52/50/24/360525024.db2.gz UWFKTDQKFIWUPZ-UHFFFAOYSA-N -1 3 247.201 0.541 20 0 BCADHM NC(=O)[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000628781078 360646521 /nfs/dbraw/zinc/64/65/21/360646521.db2.gz HFHFPMUYWPCNSE-ZKCHVHJHSA-N -1 3 234.255 0.386 20 0 BCADHM NC(=O)c1cccc(CN(CC(=O)[O-])C2CC2)c1 ZINC000037598029 181303995 /nfs/dbraw/zinc/30/39/95/181303995.db2.gz YBUJDPHGODCIIG-UHFFFAOYSA-N -1 3 248.282 0.835 20 0 BCADHM COc1nc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)n[n-]1 ZINC000613195936 360708844 /nfs/dbraw/zinc/70/88/44/360708844.db2.gz LAHXBNHEOIXLBP-ZMONIFLSSA-N -1 3 222.248 0.798 20 0 BCADHM COc1nnc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[n-]1 ZINC000613195936 360708845 /nfs/dbraw/zinc/70/88/45/360708845.db2.gz LAHXBNHEOIXLBP-ZMONIFLSSA-N -1 3 222.248 0.798 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)n1 ZINC000613195936 360708846 /nfs/dbraw/zinc/70/88/46/360708846.db2.gz LAHXBNHEOIXLBP-ZMONIFLSSA-N -1 3 222.248 0.798 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)[C@H](C)O1 ZINC000634033702 360779488 /nfs/dbraw/zinc/77/94/88/360779488.db2.gz OHGKKCSNXQLVFM-CSMHCCOUSA-N -1 3 237.259 0.478 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)[C@H](C)O1 ZINC000634033703 360779505 /nfs/dbraw/zinc/77/95/05/360779505.db2.gz OHGKKCSNXQLVFM-GJMOJQLCSA-N -1 3 237.259 0.478 20 0 BCADHM C[C@H]1C[C@H](NC(=O)Cc2cncc([O-])c2)CO1 ZINC000575002092 361288433 /nfs/dbraw/zinc/28/84/33/361288433.db2.gz XFJOHPXOFUICRM-WPRPVWTQSA-N -1 3 236.271 0.623 20 0 BCADHM O=c1cc(CN2C[C@@H]3C[C@]3(O)C2)nc(C2CC2)[n-]1 ZINC000640486163 361270987 /nfs/dbraw/zinc/27/09/87/361270987.db2.gz KTODQQOIXWMCFG-ZANVPECISA-N -1 3 247.298 0.626 20 0 BCADHM CC(=O)c1ccc(C(=O)N2CCNCC2)cc1[O-] ZINC000579116455 366714948 /nfs/dbraw/zinc/71/49/48/366714948.db2.gz VEYGORAEBYMXGD-UHFFFAOYSA-N -1 3 248.282 0.640 20 0 BCADHM NC1(C(=O)Nc2ncccc2[O-])CCC1 ZINC000129430834 181329684 /nfs/dbraw/zinc/32/96/84/181329684.db2.gz UHAPHAANBXOEFS-UHFFFAOYSA-N -1 3 207.233 0.607 20 0 BCADHM COCc1cc(=O)n(CCN2CCCCC2)[n-]1 ZINC000614190247 363750553 /nfs/dbraw/zinc/75/05/53/363750553.db2.gz VNDRCONEBSEZIH-UHFFFAOYSA-N -1 3 239.319 0.707 20 0 BCADHM CCOC[C@H](C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000428664037 201031917 /nfs/dbraw/zinc/03/19/17/201031917.db2.gz HZGTVNRUXCFBJL-QMMMGPOBSA-N -1 3 239.275 0.645 20 0 BCADHM CC[C@@H](CO)N(C)C(=O)c1cc(F)c[n-]c1=O ZINC000622072367 370693403 /nfs/dbraw/zinc/69/34/03/370693403.db2.gz PGZFICGEAUYBPQ-QMMMGPOBSA-N -1 3 242.250 0.769 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCO[C@@H]2C[C@@H]21 ZINC000622063986 370687938 /nfs/dbraw/zinc/68/79/38/370687938.db2.gz UQWLDUVUGXZHDE-DTWKUNHWSA-N -1 3 238.218 0.540 20 0 BCADHM O=C([N-]c1cnns1)C(=O)NC1CCCC1 ZINC000429672574 201124614 /nfs/dbraw/zinc/12/46/14/201124614.db2.gz OROARXHERTYJBO-UHFFFAOYSA-N -1 3 240.288 0.535 20 0 BCADHM O=C([N-]c1cnns1)C(=O)NCC1CCC1 ZINC000429665042 201124621 /nfs/dbraw/zinc/12/46/21/201124621.db2.gz YKOKWPDQQBVCSE-UHFFFAOYSA-N -1 3 240.288 0.393 20 0 BCADHM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1ccccn1 ZINC000632630175 361425823 /nfs/dbraw/zinc/42/58/23/361425823.db2.gz HEPWGSCYUFQFKY-JGVFFNPUSA-N -1 3 212.274 0.768 20 0 BCADHM CC1=CCCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000435589385 201277661 /nfs/dbraw/zinc/27/76/61/201277661.db2.gz PVPTUJANDAJYLD-UHFFFAOYSA-N -1 3 230.275 0.873 20 0 BCADHM CCN(C[C@H](C)O)C(=O)c1ccc(O)cc1[O-] ZINC000436857597 201338109 /nfs/dbraw/zinc/33/81/09/201338109.db2.gz QMAGVEXCBNIXOB-QMMMGPOBSA-N -1 3 239.271 0.941 20 0 BCADHM Cc1nc(NC(=O)C(=O)c2ccc([O-])cc2)n[nH]1 ZINC000436910407 201340942 /nfs/dbraw/zinc/34/09/42/201340942.db2.gz NVCPIRONGKCAIP-UHFFFAOYSA-N -1 3 246.226 0.640 20 0 BCADHM Cc1nnc(NC(=O)C(=O)c2ccc([O-])cc2)[nH]1 ZINC000436910407 201340945 /nfs/dbraw/zinc/34/09/45/201340945.db2.gz NVCPIRONGKCAIP-UHFFFAOYSA-N -1 3 246.226 0.640 20 0 BCADHM O=C(c1ccccc1[O-])N1CCn2ncnc2C1 ZINC000436929759 201341981 /nfs/dbraw/zinc/34/19/81/201341981.db2.gz VUJHVZYGXIQYIL-UHFFFAOYSA-N -1 3 244.254 0.640 20 0 BCADHM CN(CCCO)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000614460780 363824501 /nfs/dbraw/zinc/82/45/01/363824501.db2.gz MTYRRHPPYQUMAB-UHFFFAOYSA-N -1 3 249.270 0.723 20 0 BCADHM CCn1cnnc1[N-]C(=O)C(C)(C)n1cccn1 ZINC000614582123 363894426 /nfs/dbraw/zinc/89/44/26/363894426.db2.gz DEAWABKJSWVIGJ-UHFFFAOYSA-N -1 3 248.290 0.868 20 0 BCADHM COC[C@H](OC)C(=O)[N-]c1nncn1C1CC1 ZINC000614582621 363895415 /nfs/dbraw/zinc/89/54/15/363895415.db2.gz PCQFNHPIZLEBLJ-QMMMGPOBSA-N -1 3 240.263 0.213 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614915435 364074989 /nfs/dbraw/zinc/07/49/89/364074989.db2.gz ORFSMTJMPSTLJH-VXNVDRBHSA-N -1 3 223.276 0.415 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614915411 364075333 /nfs/dbraw/zinc/07/53/33/364075333.db2.gz ORFSMTJMPSTLJH-CBAPKCEASA-N -1 3 223.276 0.415 20 0 BCADHM CCCC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630222056 364026234 /nfs/dbraw/zinc/02/62/34/364026234.db2.gz JPHNWURJCYXXHI-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM Cc1n[nH]cc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614922550 364092231 /nfs/dbraw/zinc/09/22/31/364092231.db2.gz PPNRPMCHUHAJRZ-UHFFFAOYSA-N -1 3 249.274 0.104 20 0 BCADHM C[C@@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)[C@@H](C)O1 ZINC000630386231 364099881 /nfs/dbraw/zinc/09/98/81/364099881.db2.gz TXSCZFIXUFRNIC-BHNWBGBOSA-N -1 3 233.275 0.704 20 0 BCADHM C[C@@H]1[C@H](O)CCN1C(=O)c1cc(F)c[n-]c1=O ZINC000622094045 370704976 /nfs/dbraw/zinc/70/49/76/370704976.db2.gz AJJMURXQBJJORK-HZGVNTEJSA-N -1 3 240.234 0.522 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cc(F)c[n-]c2=O)CO1 ZINC000622123202 370723671 /nfs/dbraw/zinc/72/36/71/370723671.db2.gz DUPLGXULSYONPI-SVRRBLITSA-N -1 3 240.234 0.834 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cc(F)c[n-]c2=O)CO1 ZINC000622123203 370723702 /nfs/dbraw/zinc/72/37/02/370723702.db2.gz DUPLGXULSYONPI-XPUUQOCRSA-N -1 3 240.234 0.834 20 0 BCADHM CCN[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000630570761 364265880 /nfs/dbraw/zinc/26/58/80/364265880.db2.gz FFOPSDPTAFGYPF-CIUDSAMLSA-N -1 3 230.308 0.600 20 0 BCADHM CCC1(C(=O)[N-]c2nnc3[nH]cnn23)CCC1 ZINC000614991104 364277048 /nfs/dbraw/zinc/27/70/48/364277048.db2.gz MXKDONYYXILQKP-UHFFFAOYSA-N -1 3 234.263 0.971 20 0 BCADHM COC[C@@H](C)CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000614990433 364278538 /nfs/dbraw/zinc/27/85/38/364278538.db2.gz BVQXYICVOJBAEF-LURJTMIESA-N -1 3 238.251 0.064 20 0 BCADHM C[C@@]1(C(=O)[N-]c2nnc3[nH]cnn23)CC1(F)F ZINC000614996673 364309623 /nfs/dbraw/zinc/30/96/23/364309623.db2.gz NDSRDYXMYSWLJB-ZETCQYMHSA-N -1 3 242.189 0.436 20 0 BCADHM C[C@@H](C(=O)[N-]c1nnc2[nH]cnn12)C1CCC1 ZINC000614997477 364313172 /nfs/dbraw/zinc/31/31/72/364313172.db2.gz XBVOAVCDVNFSJP-ZCFIWIBFSA-N -1 3 234.263 0.827 20 0 BCADHM CN(C(=O)c1ncccc1[O-])C1CCN(C)CC1 ZINC000037760550 364602761 /nfs/dbraw/zinc/60/27/61/364602761.db2.gz QPWOZFAVAFFHOP-UHFFFAOYSA-N -1 3 249.314 0.953 20 0 BCADHM Cc1[n-][nH]c(=O)c1NC(=O)CN1CC[C@H](C)C1 ZINC000615220286 364639067 /nfs/dbraw/zinc/63/90/67/364639067.db2.gz UYVNSGXOLQFZNV-ZETCQYMHSA-N -1 3 238.291 0.704 20 0 BCADHM Cc1[n-][nH]c(=O)c1NC(=O)CN1CC[C@@H](C)C1 ZINC000615220283 364639093 /nfs/dbraw/zinc/63/90/93/364639093.db2.gz UYVNSGXOLQFZNV-SSDOTTSWSA-N -1 3 238.291 0.704 20 0 BCADHM CN(C)CCNC(=O)c1c([O-])cc(F)cc1F ZINC000093900838 541374996 /nfs/dbraw/zinc/37/49/96/541374996.db2.gz DRZWDFIUUXRPQD-UHFFFAOYSA-N -1 3 244.241 0.962 20 0 BCADHM C[C@H]1OCCN(CC2(C(=O)[O-])CC2)[C@@H]1C ZINC000573733924 364904818 /nfs/dbraw/zinc/90/48/18/364904818.db2.gz NJSUPHSONIXYDH-RKDXNWHRSA-N -1 3 213.277 0.960 20 0 BCADHM C[C@@H]1OCCN(CC2(C(=O)[O-])CC2)[C@H]1C ZINC000573733923 364904858 /nfs/dbraw/zinc/90/48/58/364904858.db2.gz NJSUPHSONIXYDH-IUCAKERBSA-N -1 3 213.277 0.960 20 0 BCADHM NC(=O)CC1CCN(Cc2ncccc2[O-])CC1 ZINC000573881988 364939041 /nfs/dbraw/zinc/93/90/41/364939041.db2.gz AKVGTHAFAHJCLB-UHFFFAOYSA-N -1 3 249.314 0.875 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)[O-] ZINC000574259929 365020040 /nfs/dbraw/zinc/02/00/40/365020040.db2.gz FIUYRHJGSAXOOB-GUBZILKMSA-N -1 3 241.287 0.877 20 0 BCADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccn2)CO1 ZINC000574317541 365034564 /nfs/dbraw/zinc/03/45/64/365034564.db2.gz WTDPIVHUAAEGBX-DTWKUNHWSA-N -1 3 242.300 0.537 20 0 BCADHM O=C(c1cccc([O-])c1)N1CCn2nncc2C1 ZINC000574822512 365153256 /nfs/dbraw/zinc/15/32/56/365153256.db2.gz JMZJVKGAHLVUBL-UHFFFAOYSA-N -1 3 244.254 0.640 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCSC1 ZINC000575329378 365292130 /nfs/dbraw/zinc/29/21/30/365292130.db2.gz HJGLZXAPAYSWBV-SECBINFHSA-N -1 3 238.312 0.951 20 0 BCADHM CC(=O)N[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174872043 365519160 /nfs/dbraw/zinc/51/91/60/365519160.db2.gz KLIRQLPMGGZZTQ-ZCFIWIBFSA-N -1 3 240.234 0.994 20 0 BCADHM COCCNC(=O)c1cccc2nn[n-]c21 ZINC000182667406 366929025 /nfs/dbraw/zinc/92/90/25/366929025.db2.gz IDFOJOZMBLPJHL-UHFFFAOYSA-N -1 3 220.232 0.334 20 0 BCADHM COCCNC(=O)c1cccc2[n-]nnc21 ZINC000182667406 366929028 /nfs/dbraw/zinc/92/90/28/366929028.db2.gz IDFOJOZMBLPJHL-UHFFFAOYSA-N -1 3 220.232 0.334 20 0 BCADHM COCCNC(=O)c1cccc2n[n-]nc21 ZINC000182667406 366929030 /nfs/dbraw/zinc/92/90/30/366929030.db2.gz IDFOJOZMBLPJHL-UHFFFAOYSA-N -1 3 220.232 0.334 20 0 BCADHM Cn1ccc(NC(=O)c2cccc3nn[n-]c32)n1 ZINC000182681978 366930938 /nfs/dbraw/zinc/93/09/38/366930938.db2.gz WQQRPCBWRIFWHB-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM Cn1ccc(NC(=O)c2cccc3[n-]nnc32)n1 ZINC000182681978 366930941 /nfs/dbraw/zinc/93/09/41/366930941.db2.gz WQQRPCBWRIFWHB-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM Cn1ccc(NC(=O)c2cccc3n[n-]nc32)n1 ZINC000182681978 366930946 /nfs/dbraw/zinc/93/09/46/366930946.db2.gz WQQRPCBWRIFWHB-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM COc1cc(C(=O)[N-]c2ccn(C)n2)on1 ZINC000183406457 367020746 /nfs/dbraw/zinc/02/07/46/367020746.db2.gz MAHDOAKWCQGRNL-UHFFFAOYSA-N -1 3 222.204 0.669 20 0 BCADHM COCC[C@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000581142529 367277181 /nfs/dbraw/zinc/27/71/81/367277181.db2.gz NPJUPGHJSMOPJO-VIFPVBQESA-N -1 3 238.287 0.871 20 0 BCADHM CCc1cc(C[N-]S(=O)(=O)C2COC2)on1 ZINC000581047857 367244464 /nfs/dbraw/zinc/24/44/64/367244464.db2.gz JJXJQGMNIWBJNU-UHFFFAOYSA-N -1 3 246.288 0.055 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1ncccn1 ZINC000381454725 367407244 /nfs/dbraw/zinc/40/72/44/367407244.db2.gz HXQWDVJYRACHIN-QMMMGPOBSA-N -1 3 219.248 0.401 20 0 BCADHM O=C(NCCn1cncn1)c1c([O-])cccc1O ZINC000381280367 367373421 /nfs/dbraw/zinc/37/34/21/367373421.db2.gz KUUJRLAQBXNARC-UHFFFAOYSA-N -1 3 248.242 0.119 20 0 BCADHM CCc1ncc(CN=c2ncnc3[nH][n-]cc2-3)o1 ZINC000581925068 367939668 /nfs/dbraw/zinc/93/96/68/367939668.db2.gz DZMWWACDGUGXTD-UHFFFAOYSA-N -1 3 244.258 0.889 20 0 BCADHM CN(C)C(=O)C1(NCc2ncccc2[O-])CC1 ZINC000581952025 368018012 /nfs/dbraw/zinc/01/80/12/368018012.db2.gz WIFWGGXJTRELSQ-UHFFFAOYSA-N -1 3 235.287 0.498 20 0 BCADHM Cn1cc(NC(=O)c2nc[n-]n2)c(C2CC2)n1 ZINC000581977452 368033909 /nfs/dbraw/zinc/03/39/09/368033909.db2.gz IINDXEBBLADBJP-UHFFFAOYSA-N -1 3 232.247 0.668 20 0 BCADHM CO[C@@H]1COC[C@@H]1NCc1ncccc1[O-] ZINC000566841700 326086712 /nfs/dbraw/zinc/08/67/12/326086712.db2.gz UOOPWSKHVITKRB-GXSJLCMTSA-N -1 3 224.260 0.291 20 0 BCADHM CCO[C@@H](C)C(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000058819084 368522622 /nfs/dbraw/zinc/52/26/22/368522622.db2.gz FMNWQIGSZYEQFD-VIFPVBQESA-N -1 3 238.291 0.962 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]Cc2ccoc2)c1 ZINC000069115462 368746760 /nfs/dbraw/zinc/74/67/60/368746760.db2.gz JWVFHXILGASLLR-UHFFFAOYSA-N -1 3 241.272 0.492 20 0 BCADHM CC[C@H]1CN([C@H](C(=O)[O-])C2CC2)CCO1 ZINC000084093511 368848715 /nfs/dbraw/zinc/84/87/15/368848715.db2.gz IHBGSAISUXDKDV-UWVGGRQHSA-N -1 3 213.277 0.960 20 0 BCADHM CN(C)CC(C)(C)NC(=O)c1cc(=O)[nH][n-]1 ZINC000616188586 369020623 /nfs/dbraw/zinc/02/06/23/369020623.db2.gz YHIFHSZINKOLRB-UHFFFAOYSA-N -1 3 226.280 0.185 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)CSC)[n-]1 ZINC000619449717 369368665 /nfs/dbraw/zinc/36/86/65/369368665.db2.gz RZWMLEKJWAVDFZ-UHFFFAOYSA-N -1 3 243.288 0.888 20 0 BCADHM CCOC(=O)c1nc(NC(=O)CSC)c[n-]1 ZINC000619449717 369368669 /nfs/dbraw/zinc/36/86/69/369368669.db2.gz RZWMLEKJWAVDFZ-UHFFFAOYSA-N -1 3 243.288 0.888 20 0 BCADHM CCC[C@@H](OC)C(=O)[N-]c1nncn1C ZINC000622512271 370974452 /nfs/dbraw/zinc/97/44/52/370974452.db2.gz BQGJQYKXFUIEFH-SSDOTTSWSA-N -1 3 212.253 0.569 20 0 BCADHM Cn1cnnc1[N-]C(=O)c1ncccc1F ZINC000622512379 370974856 /nfs/dbraw/zinc/97/48/56/370974856.db2.gz HAQXOFCVULAAQP-UHFFFAOYSA-N -1 3 221.195 0.602 20 0 BCADHM C[C@@H](O)C1(NC(=O)Cc2cncc([O-])c2)CC1 ZINC000620061852 369694685 /nfs/dbraw/zinc/69/46/85/369694685.db2.gz XXXWWTRXCZIIBE-MRVPVSSYSA-N -1 3 236.271 0.359 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@H](O)C2)c1 ZINC000620869635 370021093 /nfs/dbraw/zinc/02/10/93/370021093.db2.gz LJKLUMHOAYFKAR-KYZUINATSA-N -1 3 221.256 0.954 20 0 BCADHM COc1ccc([O-])c(C(=O)N[C@H]2C[C@H](O)C2)c1 ZINC000620869075 370021196 /nfs/dbraw/zinc/02/11/96/370021196.db2.gz BPAKMKVGSZPKPA-ZKCHVHJHSA-N -1 3 237.255 0.654 20 0 BCADHM Cc1cccc(C(=O)N[C@H]2C[C@H](O)C2)c1[O-] ZINC000620869046 370021200 /nfs/dbraw/zinc/02/12/00/370021200.db2.gz BENSPTSBUSYDLW-KYZUINATSA-N -1 3 221.256 0.954 20 0 BCADHM Cc1ccc(CCNC(=O)c2c[n-]nn2)cn1 ZINC000111032700 370049813 /nfs/dbraw/zinc/04/98/13/370049813.db2.gz DRCQFOOBCXGRAI-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM Cc1ccc(CCNC(=O)c2cnn[n-]2)cn1 ZINC000111032700 370049814 /nfs/dbraw/zinc/04/98/14/370049814.db2.gz DRCQFOOBCXGRAI-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM Cc1ccc(CCNC(=O)c2cn[n-]n2)cn1 ZINC000111032700 370049815 /nfs/dbraw/zinc/04/98/15/370049815.db2.gz DRCQFOOBCXGRAI-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM CC(C)[C@H]1CN(C(=O)c2cc(=O)[nH][n-]2)CCN1 ZINC000621151719 370124344 /nfs/dbraw/zinc/12/43/44/370124344.db2.gz GZUSROPZRMRLKU-SECBINFHSA-N -1 3 238.291 0.185 20 0 BCADHM C[C@@H](O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621531892 370380985 /nfs/dbraw/zinc/38/09/85/370380985.db2.gz LKHYSUIVYCSGMW-RXMQYKEDSA-N -1 3 214.196 0.037 20 0 BCADHM C[C@@H](CCCO)NC(=O)c1cc(F)c[n-]c1=O ZINC000621916765 370598316 /nfs/dbraw/zinc/59/83/16/370598316.db2.gz YFKSFHGELRATQM-ZETCQYMHSA-N -1 3 242.250 0.817 20 0 BCADHM C[C@@H](CCO)NC(=O)c1cc(F)c[n-]c1=O ZINC000621916210 370598543 /nfs/dbraw/zinc/59/85/43/370598543.db2.gz BLXSNZLSKVIXPB-LURJTMIESA-N -1 3 228.223 0.427 20 0 BCADHM C[C@H](CCO)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621923095 370601666 /nfs/dbraw/zinc/60/16/66/370601666.db2.gz BREZQSHRTCVGJO-SSDOTTSWSA-N -1 3 242.250 0.675 20 0 BCADHM O=C(NCC1(O)CCC1)c1cc(F)c[n-]c1=O ZINC000621885558 370580341 /nfs/dbraw/zinc/58/03/41/370580341.db2.gz UANBOLHDQKGAGN-UHFFFAOYSA-N -1 3 240.234 0.571 20 0 BCADHM CO[C@@H](C)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621968015 370626447 /nfs/dbraw/zinc/62/64/47/370626447.db2.gz UUWZISUFTCKRLS-LURJTMIESA-N -1 3 228.223 0.691 20 0 BCADHM Cc1cc(C[N-]S(=O)(=O)c2c[nH]cn2)no1 ZINC000069948896 370997547 /nfs/dbraw/zinc/99/75/47/370997547.db2.gz QMPVYRVTFPLOOJ-UHFFFAOYSA-N -1 3 242.260 0.185 20 0 BCADHM Cc1nccn1CC(=O)NCc1ncccc1[O-] ZINC000622570379 371000608 /nfs/dbraw/zinc/00/06/08/371000608.db2.gz BURABOMCQRHJTG-UHFFFAOYSA-N -1 3 246.270 0.609 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(F)c[n-]c2=O)C[C@@H]1O ZINC000621940024 370610869 /nfs/dbraw/zinc/61/08/69/370610869.db2.gz YVHHBAUZTCCZKI-MUWHJKNJSA-N -1 3 240.234 0.379 20 0 BCADHM C[C@H](N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095203016 371260136 /nfs/dbraw/zinc/26/01/36/371260136.db2.gz RLWSUOCNMAYEMH-LURJTMIESA-N -1 3 232.247 0.152 20 0 BCADHM C[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000125100232 371284241 /nfs/dbraw/zinc/28/42/41/371284241.db2.gz QXGOGNCOOMEHGC-ZETCQYMHSA-N -1 3 229.305 0.734 20 0 BCADHM CCC1CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000627709991 371869774 /nfs/dbraw/zinc/86/97/74/371869774.db2.gz YWBNZLXEQFRFIF-UHFFFAOYSA-N -1 3 207.233 0.664 20 0 BCADHM C[C@H]1SCC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627976492 372171453 /nfs/dbraw/zinc/17/14/53/372171453.db2.gz WWMZBHODWYWCAF-RNFRBKRXSA-N -1 3 239.300 0.806 20 0 BCADHM Oc1[n-]c(N2C[C@H]3CC[C@@H](C2)O3)nc2nncc1-2 ZINC000631488210 372391226 /nfs/dbraw/zinc/39/12/26/372391226.db2.gz QZSOGEBWZNMJJE-KNVOCYPGSA-N -1 3 247.258 0.426 20 0 BCADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1nncn1C ZINC000631814853 372589768 /nfs/dbraw/zinc/58/97/68/372589768.db2.gz SENPFGXROUPDJN-MRVPVSSYSA-N -1 3 246.336 0.672 20 0 BCADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631746085 372546666 /nfs/dbraw/zinc/54/66/66/372546666.db2.gz BOJTXQGBYUMQDZ-NTSWFWBYSA-N -1 3 248.329 0.783 20 0 BCADHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1nncn1C ZINC000631906372 372692124 /nfs/dbraw/zinc/69/21/24/372692124.db2.gz KPORXEDMRWVTMV-HTQZYQBOSA-N -1 3 244.320 0.282 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CC1(O)CCC1 ZINC000632003964 372720037 /nfs/dbraw/zinc/72/00/37/372720037.db2.gz UAFCWBNBKZWSCI-UHFFFAOYSA-N -1 3 246.288 0.176 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@@H](O)C1CC1 ZINC000632007171 372723475 /nfs/dbraw/zinc/72/34/75/372723475.db2.gz BQWMAPLOFCGPIJ-MRVPVSSYSA-N -1 3 246.288 0.032 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000632103972 372759500 /nfs/dbraw/zinc/75/95/00/372759500.db2.gz ZYQFTZVVKGWTLP-UHFFFAOYSA-N -1 3 242.304 0.036 20 0 BCADHM O=c1[nH]cc(S(=O)(=O)[N-]CCCF)s1 ZINC000632117979 372766765 /nfs/dbraw/zinc/76/67/65/372766765.db2.gz BMGAZKKLFFTZRR-UHFFFAOYSA-N -1 3 240.281 0.487 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1nncn1C)C1CCC1 ZINC000632145153 372781056 /nfs/dbraw/zinc/78/10/56/372781056.db2.gz WYQDDWRJVWUYDH-ZETCQYMHSA-N -1 3 244.320 0.282 20 0 BCADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC1CCCCC1 ZINC000046729299 182023735 /nfs/dbraw/zinc/02/37/35/182023735.db2.gz PHPJWWXRVCNRNT-QMMMGPOBSA-N -1 3 239.275 0.033 20 0 BCADHM O=c1[nH]cc(S(=O)(=O)[N-]C2CCC2)s1 ZINC000632431554 372936523 /nfs/dbraw/zinc/93/65/23/372936523.db2.gz KDPZPALWLUIUNR-UHFFFAOYSA-N -1 3 234.302 0.680 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2)o1 ZINC000632430728 372937220 /nfs/dbraw/zinc/93/72/20/372937220.db2.gz UYSDDPMGRXQYMZ-OCAPTIKFSA-N -1 3 231.273 0.390 20 0 BCADHM O=C(C[C@H]1COCCN1)Nc1ccccc1[O-] ZINC000129266369 182030861 /nfs/dbraw/zinc/03/08/61/182030861.db2.gz COGRUGSXTIWQHS-VIFPVBQESA-N -1 3 236.271 0.709 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000632568559 373008730 /nfs/dbraw/zinc/00/87/30/373008730.db2.gz JQYYMOKWXXTIQM-UHFFFAOYSA-N -1 3 242.304 0.204 20 0 BCADHM C/C=C/C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632599239 373025881 /nfs/dbraw/zinc/02/58/81/373025881.db2.gz MLOCMXMARMTINR-NSCUHMNNSA-N -1 3 234.302 0.703 20 0 BCADHM C/C=C\C[N-]S(=O)(=O)c1conc1C ZINC000632599222 373026303 /nfs/dbraw/zinc/02/63/03/373026303.db2.gz MFRPPONWHIXJPT-ARJAWSKDSA-N -1 3 216.262 0.837 20 0 BCADHM CC(C)(F)C[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000632608847 373029138 /nfs/dbraw/zinc/02/91/38/373029138.db2.gz IUCFYFOTDLUNPP-MRVPVSSYSA-N -1 3 239.312 0.833 20 0 BCADHM CC(C)(F)C[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000632608848 373029575 /nfs/dbraw/zinc/02/95/75/373029575.db2.gz IUCFYFOTDLUNPP-QMMMGPOBSA-N -1 3 239.312 0.833 20 0 BCADHM CC1([N-]S(=O)(=O)c2cncc(F)c2)COC1 ZINC000632665528 373058903 /nfs/dbraw/zinc/05/89/03/373058903.db2.gz VJQZZPZSLHGNRW-UHFFFAOYSA-N -1 3 246.263 0.288 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C)COC1 ZINC000632665428 373059240 /nfs/dbraw/zinc/05/92/40/373059240.db2.gz QAGDCYMKANFWAH-UHFFFAOYSA-N -1 3 246.288 0.359 20 0 BCADHM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000632630739 373043959 /nfs/dbraw/zinc/04/39/59/373043959.db2.gz PNRUBHGFPOEPKV-NKWVEPMBSA-N -1 3 201.247 0.966 20 0 BCADHM O=C(Cc1cncnc1)NCc1ncccc1[O-] ZINC000356109118 182059783 /nfs/dbraw/zinc/05/97/83/182059783.db2.gz QDUVTJHAJCCNPX-UHFFFAOYSA-N -1 3 244.254 0.436 20 0 BCADHM CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1nncn1C ZINC000632633940 373045640 /nfs/dbraw/zinc/04/56/40/373045640.db2.gz HBYGCLWYHIHPOF-HTQZYQBOSA-N -1 3 244.320 0.282 20 0 BCADHM CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000632634887 373047606 /nfs/dbraw/zinc/04/76/06/373047606.db2.gz YDHUJOOEDYPSMJ-RKDXNWHRSA-N -1 3 243.332 0.887 20 0 BCADHM O=C([N-]C1=NCCS1)C1(O)CCC1 ZINC000274618767 182093767 /nfs/dbraw/zinc/09/37/67/182093767.db2.gz SWSJXNTZIBWNOQ-UHFFFAOYSA-N -1 3 200.263 0.120 20 0 BCADHM Cc1nocc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000633179713 373328210 /nfs/dbraw/zinc/32/82/10/373328210.db2.gz GXPKZYZZDZDLMJ-UHFFFAOYSA-N -1 3 221.220 0.672 20 0 BCADHM CCC(CC)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633522724 373582793 /nfs/dbraw/zinc/58/27/93/373582793.db2.gz ZRSYARVSOVXRKZ-UHFFFAOYSA-N -1 3 239.275 0.940 20 0 BCADHM CC[C@H](C)CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521258 373582923 /nfs/dbraw/zinc/58/29/23/373582923.db2.gz OCIHRNLZBCASBY-ZETCQYMHSA-N -1 3 239.275 0.940 20 0 BCADHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)[C@H]1C[C@@H]1C1CC1 ZINC000633521430 373583158 /nfs/dbraw/zinc/58/31/58/373583158.db2.gz QRYJCMGHASPONT-BDAKNGLRSA-N -1 3 249.270 0.550 20 0 BCADHM CCC(C)(C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521999 373583911 /nfs/dbraw/zinc/58/39/11/373583911.db2.gz QTIIJQANGZRXRB-UHFFFAOYSA-N -1 3 239.275 0.940 20 0 BCADHM O=C(NCCCCCO)c1ccc2n[n-]nc2c1 ZINC000170224511 182161519 /nfs/dbraw/zinc/16/15/19/182161519.db2.gz XNXSKVVVPKSSCI-UHFFFAOYSA-N -1 3 248.286 0.850 20 0 BCADHM O=C(NCCCOCCO)c1cccc([O-])c1 ZINC000227689186 182174121 /nfs/dbraw/zinc/17/41/21/182174121.db2.gz QUWDZRPEUCLDSE-UHFFFAOYSA-N -1 3 239.271 0.521 20 0 BCADHM O=C(NCCc1ccc(O)cc1)c1c[n-]nn1 ZINC000108881449 182203146 /nfs/dbraw/zinc/20/31/46/182203146.db2.gz VCPVQSXRHTVBNS-UHFFFAOYSA-N -1 3 232.243 0.483 20 0 BCADHM O=C(NCCc1ccc(O)cc1)c1cnn[n-]1 ZINC000108881449 182203148 /nfs/dbraw/zinc/20/31/48/182203148.db2.gz VCPVQSXRHTVBNS-UHFFFAOYSA-N -1 3 232.243 0.483 20 0 BCADHM O=C(NCCc1ccc(O)cc1)c1cn[n-]n1 ZINC000108881449 182203151 /nfs/dbraw/zinc/20/31/51/182203151.db2.gz VCPVQSXRHTVBNS-UHFFFAOYSA-N -1 3 232.243 0.483 20 0 BCADHM CC1(NC(=O)c2ccc3n[n-]nc3c2)COC1 ZINC000634187215 373994144 /nfs/dbraw/zinc/99/41/44/373994144.db2.gz RFHMHMQWSAVKET-UHFFFAOYSA-N -1 3 232.243 0.477 20 0 BCADHM O=C(NC[C@H]1CCCCO1)c1c[n-]nn1 ZINC000049224558 182236750 /nfs/dbraw/zinc/23/67/50/182236750.db2.gz NQXIATMXMPAXJX-SSDOTTSWSA-N -1 3 210.237 0.104 20 0 BCADHM O=C(NC[C@H]1CCCCO1)c1cnn[n-]1 ZINC000049224558 182236751 /nfs/dbraw/zinc/23/67/51/182236751.db2.gz NQXIATMXMPAXJX-SSDOTTSWSA-N -1 3 210.237 0.104 20 0 BCADHM O=C(NC[C@H]1CCCCO1)c1cn[n-]n1 ZINC000049224558 182236752 /nfs/dbraw/zinc/23/67/52/182236752.db2.gz NQXIATMXMPAXJX-SSDOTTSWSA-N -1 3 210.237 0.104 20 0 BCADHM O=C(NC[C@H]1CCCC[C@H]1O)c1c[n-]nn1 ZINC000083119429 182238060 /nfs/dbraw/zinc/23/80/60/182238060.db2.gz ISWKVAONMCJDHO-VXNVDRBHSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@H]1CCCC[C@H]1O)c1cnn[n-]1 ZINC000083119429 182238061 /nfs/dbraw/zinc/23/80/61/182238061.db2.gz ISWKVAONMCJDHO-VXNVDRBHSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@H]1CCCC[C@H]1O)c1cn[n-]n1 ZINC000083119429 182238062 /nfs/dbraw/zinc/23/80/62/182238062.db2.gz ISWKVAONMCJDHO-VXNVDRBHSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@@H]1CCCO1 ZINC000331031526 182273639 /nfs/dbraw/zinc/27/36/39/182273639.db2.gz ZWRMCNHKMBBBGP-JTQLQIEISA-N -1 3 222.244 0.582 20 0 BCADHM O=C(NCc1ncccc1[O-])C1CCOCC1 ZINC000331022561 182274076 /nfs/dbraw/zinc/27/40/76/182274076.db2.gz QKGQOHKZZOMMGG-UHFFFAOYSA-N -1 3 236.271 0.830 20 0 BCADHM O=C(NCc1cnn2ccccc12)c1c[n-]nn1 ZINC000342189624 182271126 /nfs/dbraw/zinc/27/11/26/182271126.db2.gz ZRCQDZGBDDECDD-UHFFFAOYSA-N -1 3 242.242 0.382 20 0 BCADHM O=C(NCc1cnn2ccccc12)c1cnn[n-]1 ZINC000342189624 182271128 /nfs/dbraw/zinc/27/11/28/182271128.db2.gz ZRCQDZGBDDECDD-UHFFFAOYSA-N -1 3 242.242 0.382 20 0 BCADHM O=C(NCc1cnn2ccccc12)c1cn[n-]n1 ZINC000342189624 182271129 /nfs/dbraw/zinc/27/11/29/182271129.db2.gz ZRCQDZGBDDECDD-UHFFFAOYSA-N -1 3 242.242 0.382 20 0 BCADHM NC(=O)CC1(CNC(=O)c2ccccc2[O-])CC1 ZINC000421612291 206026005 /nfs/dbraw/zinc/02/60/05/206026005.db2.gz VUBAWJJOIXROSY-UHFFFAOYSA-N -1 3 248.282 0.778 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1O)c1c([O-])cccc1O ZINC000132168532 182300709 /nfs/dbraw/zinc/30/07/09/182300709.db2.gz ALFFYVCALZRIMI-HTQZYQBOSA-N -1 3 237.255 0.741 20 0 BCADHM CCN1C[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC000459467361 206128476 /nfs/dbraw/zinc/12/84/76/206128476.db2.gz RTBZIQVXGUTOCA-DTORHVGOSA-N -1 3 239.323 0.425 20 0 BCADHM O=C(N[C@]1(CO)CCOC1)c1ccccc1[O-] ZINC000182926099 182346949 /nfs/dbraw/zinc/34/69/49/182346949.db2.gz AVHLUYDOEIDKFU-LBPRGKRZSA-N -1 3 237.255 0.273 20 0 BCADHM O=C(Nc1cccc2c1OCCO2)c1nc[n-]n1 ZINC000340444358 182373269 /nfs/dbraw/zinc/37/32/69/182373269.db2.gz KWQNLDOFCFKBBN-UHFFFAOYSA-N -1 3 246.226 0.828 20 0 BCADHM O=C(Nc1cn[nH]c1)c1ccc2n[n-]nc2c1 ZINC000035237673 182392048 /nfs/dbraw/zinc/39/20/48/182392048.db2.gz BQOLYUVPOGDVSM-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@@H]1CSCN1 ZINC000070203940 182381242 /nfs/dbraw/zinc/38/12/42/182381242.db2.gz IJOJXUIEGPXIBJ-QMMMGPOBSA-N -1 3 224.285 0.993 20 0 BCADHM O=C(Nc1nnc(SCCO)[n-]1)C(F)F ZINC000290390986 182398403 /nfs/dbraw/zinc/39/84/03/182398403.db2.gz CQDUNFJNXVOFJU-UHFFFAOYSA-N -1 3 238.219 0.093 20 0 BCADHM O=C(Nc1nc(SCCO)n[n-]1)C(F)F ZINC000290390986 182398406 /nfs/dbraw/zinc/39/84/06/182398406.db2.gz CQDUNFJNXVOFJU-UHFFFAOYSA-N -1 3 238.219 0.093 20 0 BCADHM O=C(Nc1n[n-]c(SCCO)n1)C(F)F ZINC000290390986 182398407 /nfs/dbraw/zinc/39/84/07/182398407.db2.gz CQDUNFJNXVOFJU-UHFFFAOYSA-N -1 3 238.219 0.093 20 0 BCADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1CO ZINC000044382466 182672274 /nfs/dbraw/zinc/67/22/74/182672274.db2.gz PIMQAYFQQMRQOQ-JTQLQIEISA-N -1 3 221.256 0.989 20 0 BCADHM O=c1nc(CS[C@H]2CCCOC2)[nH][n-]1 ZINC000272500487 183009198 /nfs/dbraw/zinc/00/91/98/183009198.db2.gz UGQCGPUCINWZIA-LURJTMIESA-N -1 3 215.278 0.510 20 0 BCADHM O=c1nc([C@H]2CCCN(Cc3c[nH]cn3)C2)[nH][n-]1 ZINC000289356430 183009996 /nfs/dbraw/zinc/00/99/96/183009996.db2.gz GUVNEGIRBKEZEE-QMMMGPOBSA-N -1 3 248.290 0.201 20 0 BCADHM O=c1nc([C@H]2CCCN(Cc3cnc[nH]3)C2)[nH][n-]1 ZINC000289356430 183009999 /nfs/dbraw/zinc/00/99/99/183009999.db2.gz GUVNEGIRBKEZEE-QMMMGPOBSA-N -1 3 248.290 0.201 20 0 BCADHM Oc1[n-]c(NC[C@H]2CCCO2)nc2nncc1-2 ZINC000106461823 183010027 /nfs/dbraw/zinc/01/00/27/183010027.db2.gz RNVRFIWOLMCWKD-ZCFIWIBFSA-N -1 3 235.247 0.237 20 0 BCADHM O=c1nc(CN[C@H](CCO)c2ccccc2)[nH][n-]1 ZINC000271659191 183010483 /nfs/dbraw/zinc/01/04/83/183010483.db2.gz KUGRYDDRCQGNFU-SNVBAGLBSA-N -1 3 248.286 0.311 20 0 BCADHM O=c1[n-]c(CN[C@H]2CCC[C@H]2CCO)n[nH]1 ZINC000336672858 183093374 /nfs/dbraw/zinc/09/33/74/183093374.db2.gz JHQVGXFHNAUBLK-YUMQZZPRSA-N -1 3 226.280 0.151 20 0 BCADHM O=c1[n-]c(CN[C@@H]2CCC[C@@H]2CCO)n[nH]1 ZINC000336672853 183099249 /nfs/dbraw/zinc/09/92/49/183099249.db2.gz JHQVGXFHNAUBLK-HTQZYQBOSA-N -1 3 226.280 0.151 20 0 BCADHM O=c1[n-]nc(CN2CCC[C@@](F)(CO)C2)s1 ZINC000367858484 183158012 /nfs/dbraw/zinc/15/80/12/183158012.db2.gz SGLAPKQYTVVSDN-VIFPVBQESA-N -1 3 247.295 0.540 20 0 BCADHM CCCN(C)S(=O)(=O)[N-]CC(F)F ZINC000121146313 169083245 /nfs/dbraw/zinc/08/32/45/169083245.db2.gz BVVDJULNHLZOBY-UHFFFAOYSA-N -1 3 216.253 0.428 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000161214453 169097844 /nfs/dbraw/zinc/09/78/44/169097844.db2.gz RRWKNXZYVXAYSQ-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM [O-]c1ccc(F)c(CN2C[C@@H](O)[C@H](O)C2)c1F ZINC000294713369 183273936 /nfs/dbraw/zinc/27/39/36/183273936.db2.gz OVRLKLZNXNQAQE-NXEZZACHSA-N -1 3 245.225 0.208 20 0 BCADHM [O-]c1cc(F)cc(CN2CCOC[C@@H](O)C2)c1 ZINC000294753048 183258447 /nfs/dbraw/zinc/25/84/47/183258447.db2.gz IKWGGQKSBZODRY-LBPRGKRZSA-N -1 3 241.262 0.724 20 0 BCADHM O=c1[n-]c(CN2CC[C@H](O)C23CCCC3)n[nH]1 ZINC000333464157 183306480 /nfs/dbraw/zinc/30/64/80/183306480.db2.gz QCVLXAHALJUGHI-QMMMGPOBSA-N -1 3 238.291 0.390 20 0 BCADHM CCCNC(=O)CNC(=O)c1ccccc1[O-] ZINC000035206791 169226119 /nfs/dbraw/zinc/22/61/19/169226119.db2.gz LISYGZRNYDDEMM-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM CCCNC(=O)C1(NCC(=O)[O-])CCCCC1 ZINC000236818245 169213454 /nfs/dbraw/zinc/21/34/54/169213454.db2.gz SAWQSQWNSAXAPH-UHFFFAOYSA-N -1 3 242.319 0.890 20 0 BCADHM c1cc2c(cc1-c1nnn[n-]1)OCCO2 ZINC000041212456 183367211 /nfs/dbraw/zinc/36/72/11/183367211.db2.gz CVXSLAVBSKNRLC-UHFFFAOYSA-N -1 3 204.189 0.638 20 0 BCADHM c1cc2c(cc1-c1nn[n-]n1)OCCO2 ZINC000041212456 183367212 /nfs/dbraw/zinc/36/72/12/183367212.db2.gz CVXSLAVBSKNRLC-UHFFFAOYSA-N -1 3 204.189 0.638 20 0 BCADHM CCCNC(=O)[C@H](C)N1CCC[C@H](C(=O)[O-])C1 ZINC000035084084 169246053 /nfs/dbraw/zinc/24/60/53/169246053.db2.gz AYFAJGRCCDRVHH-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM CCC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000050253359 169273468 /nfs/dbraw/zinc/27/34/68/169273468.db2.gz HMUBVQGBJAITKT-UHFFFAOYSA-N -1 3 217.294 0.417 20 0 BCADHM CCCS(=O)(=O)[N-]CC(=O)OC(C)(C)C ZINC000115588319 169331785 /nfs/dbraw/zinc/33/17/85/169331785.db2.gz QNNFXQUCXSABBT-UHFFFAOYSA-N -1 3 237.321 0.658 20 0 BCADHM CCCS(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F ZINC000332487583 169332654 /nfs/dbraw/zinc/33/26/54/169332654.db2.gz PYLVSPUIPRGQMG-LURJTMIESA-N -1 3 249.254 0.629 20 0 BCADHM CCC[C@@H](CC)NC(=O)CN1CC(=O)[N-]C1=O ZINC000111584924 169376061 /nfs/dbraw/zinc/37/60/61/169376061.db2.gz OVGBDHRTXRLUHP-MRVPVSSYSA-N -1 3 241.291 0.233 20 0 BCADHM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000313091240 383870542 /nfs/dbraw/zinc/87/05/42/383870542.db2.gz AQAWRGKJQPXSIR-JGVFFNPUSA-N -1 3 247.320 0.238 20 0 BCADHM CC(C)(O)CC[N-]S(=O)(=O)c1ccccn1 ZINC000358539116 383872404 /nfs/dbraw/zinc/87/24/04/383872404.db2.gz BLZHNGAODOBRLV-UHFFFAOYSA-N -1 3 244.316 0.521 20 0 BCADHM Cc1ccc(C(=O)N[C@@H](C)C(N)=O)c([O-])c1 ZINC000035149297 383833910 /nfs/dbraw/zinc/83/39/10/383833910.db2.gz PNTHVVMVUVSBAR-ZETCQYMHSA-N -1 3 222.244 0.304 20 0 BCADHM Cc1ccc(C(=O)NCCC(N)=O)c([O-])c1 ZINC000036747598 383910913 /nfs/dbraw/zinc/91/09/13/383910913.db2.gz QFIPFHPDCXXZLC-UHFFFAOYSA-N -1 3 222.244 0.306 20 0 BCADHM O=C(NCCOC1CCCC1)c1c[n-]nn1 ZINC000088346538 383894628 /nfs/dbraw/zinc/89/46/28/383894628.db2.gz NEIKQJRPSJWYSM-UHFFFAOYSA-N -1 3 224.264 0.494 20 0 BCADHM O=C(NCCOC1CCCC1)c1cnn[n-]1 ZINC000088346538 383894634 /nfs/dbraw/zinc/89/46/34/383894634.db2.gz NEIKQJRPSJWYSM-UHFFFAOYSA-N -1 3 224.264 0.494 20 0 BCADHM O=C(NCCOC1CCCC1)c1cn[n-]n1 ZINC000088346538 383894640 /nfs/dbraw/zinc/89/46/40/383894640.db2.gz NEIKQJRPSJWYSM-UHFFFAOYSA-N -1 3 224.264 0.494 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1c[n-]nn1 ZINC000518521761 383979224 /nfs/dbraw/zinc/97/92/24/383979224.db2.gz YUYVBEKGOKNCNF-JGVFFNPUSA-N -1 3 206.249 0.723 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cnn[n-]1 ZINC000518521761 383979227 /nfs/dbraw/zinc/97/92/27/383979227.db2.gz YUYVBEKGOKNCNF-JGVFFNPUSA-N -1 3 206.249 0.723 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cn[n-]n1 ZINC000518521761 383979234 /nfs/dbraw/zinc/97/92/34/383979234.db2.gz YUYVBEKGOKNCNF-JGVFFNPUSA-N -1 3 206.249 0.723 20 0 BCADHM [O-]c1cccnc1CN1CCC(CO)CC1 ZINC000558401248 383984514 /nfs/dbraw/zinc/98/45/14/383984514.db2.gz HUMUWKSGGAQELA-UHFFFAOYSA-N -1 3 222.288 0.992 20 0 BCADHM CCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000068974137 384025479 /nfs/dbraw/zinc/02/54/79/384025479.db2.gz DDRXCSBNRMMMNB-UHFFFAOYSA-N -1 3 231.259 0.893 20 0 BCADHM CCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000068974137 384025489 /nfs/dbraw/zinc/02/54/89/384025489.db2.gz DDRXCSBNRMMMNB-UHFFFAOYSA-N -1 3 231.259 0.893 20 0 BCADHM CS(=O)(=O)CCNC(=O)c1cccc([O-])c1 ZINC000037751015 384005661 /nfs/dbraw/zinc/00/56/61/384005661.db2.gz UBEJVDOOUWYVOL-UHFFFAOYSA-N -1 3 243.284 0.167 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC(=O)NC2)c1 ZINC000070162144 384083561 /nfs/dbraw/zinc/08/35/61/384083561.db2.gz GWUSOMJCCLAVKW-VIFPVBQESA-N -1 3 248.282 0.709 20 0 BCADHM C[C@H](O)CNC(=O)c1c([O-])cccc1O ZINC000092107825 384117072 /nfs/dbraw/zinc/11/70/72/384117072.db2.gz XSQMEESQKJRIHU-LURJTMIESA-N -1 3 211.217 0.208 20 0 BCADHM COc1nc(NC(=O)C[C@@H]2C[C@@H]2C)n[n-]1 ZINC000518651500 384149539 /nfs/dbraw/zinc/14/95/39/384149539.db2.gz LDXZLMMLGOYEOF-WDSKDSINSA-N -1 3 210.237 0.798 20 0 BCADHM COc1nnc(NC(=O)C[C@@H]2C[C@@H]2C)[n-]1 ZINC000518651500 384149549 /nfs/dbraw/zinc/14/95/49/384149549.db2.gz LDXZLMMLGOYEOF-WDSKDSINSA-N -1 3 210.237 0.798 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@@H]2C[C@@H]2C)n1 ZINC000518651500 384149553 /nfs/dbraw/zinc/14/95/53/384149553.db2.gz LDXZLMMLGOYEOF-WDSKDSINSA-N -1 3 210.237 0.798 20 0 BCADHM COC[C@H](O)CNC(=O)c1ccc(C)cc1[O-] ZINC000071263838 384157309 /nfs/dbraw/zinc/15/73/09/384157309.db2.gz CUPHYANFVWDPDC-SECBINFHSA-N -1 3 239.271 0.438 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)CC(C)(C)C ZINC000080192345 384163221 /nfs/dbraw/zinc/16/32/21/384163221.db2.gz RHYCLSADCXCMAM-SSDOTTSWSA-N -1 3 237.321 0.513 20 0 BCADHM CN1C[C@@H](NC(=O)c2cccc([O-])c2)CC1=O ZINC000082282519 384219212 /nfs/dbraw/zinc/21/92/12/384219212.db2.gz GAGOUYOHDWWUDH-VIFPVBQESA-N -1 3 234.255 0.353 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1O)c1ccc(O)cc1[O-] ZINC000163685014 384247129 /nfs/dbraw/zinc/24/71/29/384247129.db2.gz HWSWWWNTUPJTLO-UWVGGRQHSA-N -1 3 237.255 0.741 20 0 BCADHM C[C@@H]([N-]S(C)(=O)=O)c1nc(C(C)(C)C)no1 ZINC000174039919 384294686 /nfs/dbraw/zinc/29/46/86/384294686.db2.gz DMZBRDBJOHVNOA-ZCFIWIBFSA-N -1 3 247.320 0.977 20 0 BCADHM O=C(Nc1cnc(CC2CC2)nc1)c1nc[n-]n1 ZINC000560769173 384343632 /nfs/dbraw/zinc/34/36/32/384343632.db2.gz RCUJFXGDTGYXLF-UHFFFAOYSA-N -1 3 244.258 0.800 20 0 BCADHM CC[C@@H](CO)NC(=O)c1cccc([O-])c1 ZINC000035102486 384396580 /nfs/dbraw/zinc/39/65/80/384396580.db2.gz STUGBWUUTIXYNP-VIFPVBQESA-N -1 3 209.245 0.893 20 0 BCADHM C[C@H](CO)NC(=O)c1ccc(O)cc1[O-] ZINC000035205526 384403482 /nfs/dbraw/zinc/40/34/82/384403482.db2.gz HCEJSBMKIOYQAW-ZCFIWIBFSA-N -1 3 211.217 0.208 20 0 BCADHM CC[C@H](CO)[N-]S(=O)(=O)c1cccs1 ZINC000035188457 384403650 /nfs/dbraw/zinc/40/36/50/384403650.db2.gz IRZHFPMGJXXWLM-SSDOTTSWSA-N -1 3 235.330 0.797 20 0 BCADHM C[C@@H](C(=O)Nc1ccccc1[O-])S(C)(=O)=O ZINC000045877228 384411347 /nfs/dbraw/zinc/41/13/47/384411347.db2.gz POXISYHMQRSXTC-ZETCQYMHSA-N -1 3 243.284 0.764 20 0 BCADHM CCC[C@H]([N-]S(=O)(=O)CC1CC1)C(=O)OC ZINC000560934383 384413580 /nfs/dbraw/zinc/41/35/80/384413580.db2.gz LYWKCAFLGMRKDP-VIFPVBQESA-N -1 3 249.332 0.658 20 0 BCADHM CCN(CCCO)C(=O)c1ccc2n[n-]nc2c1 ZINC000160463608 384415403 /nfs/dbraw/zinc/41/54/03/384415403.db2.gz ABCRYZLYKBJXSW-UHFFFAOYSA-N -1 3 248.286 0.802 20 0 BCADHM COc1nnc(NC(=O)C=Cc2ccnn2C)[n-]1 ZINC000255324224 384482285 /nfs/dbraw/zinc/48/22/85/384482285.db2.gz IHJUQGGNLXUEFS-ARJAWSKDSA-N -1 3 248.246 0.199 20 0 BCADHM COc1nc(NC(=O)C=Cc2ccnn2C)n[n-]1 ZINC000255324224 384482294 /nfs/dbraw/zinc/48/22/94/384482294.db2.gz IHJUQGGNLXUEFS-ARJAWSKDSA-N -1 3 248.246 0.199 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2ccnn2C)n1 ZINC000255324224 384482298 /nfs/dbraw/zinc/48/22/98/384482298.db2.gz IHJUQGGNLXUEFS-ARJAWSKDSA-N -1 3 248.246 0.199 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cccnc1 ZINC000176049347 384534691 /nfs/dbraw/zinc/53/46/91/384534691.db2.gz AFPHGASERNXSCD-UHFFFAOYSA-N -1 3 246.226 0.844 20 0 BCADHM Cc1cc(C(=O)NOCC(C)C)[n-]c(=O)n1 ZINC000122938594 384523932 /nfs/dbraw/zinc/52/39/32/384523932.db2.gz YBITTXUQHPHOGI-UHFFFAOYSA-N -1 3 225.248 0.808 20 0 BCADHM Cc1ccc(C(=O)NCCO)c([O-])c1C ZINC000097465140 384524797 /nfs/dbraw/zinc/52/47/97/384524797.db2.gz QEPYWRLIPHXYAG-UHFFFAOYSA-N -1 3 209.245 0.731 20 0 BCADHM C[C@@H](O)CCN(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000123323523 384551331 /nfs/dbraw/zinc/55/13/31/384551331.db2.gz KUIUCCZGOYHHDN-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM CC[C@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(C)C ZINC000049450717 384537833 /nfs/dbraw/zinc/53/78/33/384537833.db2.gz AKZZZKACDOFSLH-YUMQZZPRSA-N -1 3 241.291 0.135 20 0 BCADHM CC(C)N(C)CC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000517935864 384581843 /nfs/dbraw/zinc/58/18/43/384581843.db2.gz FZIXVRHCLQBOGI-VIFPVBQESA-N -1 3 242.319 0.791 20 0 BCADHM O=C([N-]c1nnc2n1CCCC2)c1cocn1 ZINC000162497412 384632799 /nfs/dbraw/zinc/63/27/99/384632799.db2.gz VIHCQZQAALSHKJ-UHFFFAOYSA-N -1 3 233.231 0.855 20 0 BCADHM CN(CCN(C)C1CC1)C(=O)c1ncccc1[O-] ZINC000184501615 384612103 /nfs/dbraw/zinc/61/21/03/384612103.db2.gz DVZPIJPDHSWIAQ-UHFFFAOYSA-N -1 3 249.314 0.953 20 0 BCADHM CC(C)(CC(N)=O)NC(=O)c1ccccc1[O-] ZINC000184560206 384619510 /nfs/dbraw/zinc/61/95/10/384619510.db2.gz NTGRORCANCFYDZ-UHFFFAOYSA-N -1 3 236.271 0.776 20 0 BCADHM CC[C@H](O)CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000124634150 384663951 /nfs/dbraw/zinc/66/39/51/384663951.db2.gz UAPCKYGNIFWQEG-VIFPVBQESA-N -1 3 248.286 0.849 20 0 BCADHM COCC[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000151642217 384668047 /nfs/dbraw/zinc/66/80/47/384668047.db2.gz ABRPWWDRBYAMDO-UHFFFAOYSA-N -1 3 247.320 0.389 20 0 BCADHM Cc1ocnc1CNC(=O)Cc1cncc([O-])c1 ZINC000561309880 384641726 /nfs/dbraw/zinc/64/17/26/384641726.db2.gz ZDSBCAZHHYHADO-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM COc1cc(C(=O)NCCC(N)=O)ccc1[O-] ZINC000082286246 384660731 /nfs/dbraw/zinc/66/07/31/384660731.db2.gz HZLIUYCPUNXTJB-UHFFFAOYSA-N -1 3 238.243 0.006 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCN(Cc2cccnc2)CC1 ZINC000051659497 384677726 /nfs/dbraw/zinc/67/77/26/384677726.db2.gz NEDSTVHUQJCOJL-NSHDSACASA-N -1 3 249.314 0.672 20 0 BCADHM Cc1ccc([O-])c(CNCCS(C)(=O)=O)n1 ZINC000082424857 384682935 /nfs/dbraw/zinc/68/29/35/384682935.db2.gz AJGUUDDXIICLNE-UHFFFAOYSA-N -1 3 244.316 0.230 20 0 BCADHM CC[C@H]1CN(C)CCN1C(=O)c1cncc([O-])c1 ZINC000580114277 384684877 /nfs/dbraw/zinc/68/48/77/384684877.db2.gz PYPVVVRKEXSQAQ-NSHDSACASA-N -1 3 249.314 0.953 20 0 BCADHM CN(C)C[C@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000111740055 384704028 /nfs/dbraw/zinc/70/40/28/384704028.db2.gz KIHKBVFKUYJENH-LLVKDONJSA-N -1 3 249.314 0.953 20 0 BCADHM COc1ncccc1C(=O)[N-]N1CCCCC1=O ZINC000102641829 384718457 /nfs/dbraw/zinc/71/84/57/384718457.db2.gz ZFXRYVDMOGNMMJ-UHFFFAOYSA-N -1 3 249.270 0.748 20 0 BCADHM CCC[C@H](C)N(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000052518604 384736346 /nfs/dbraw/zinc/73/63/46/384736346.db2.gz JFTDTRXPWOUMTQ-YUMQZZPRSA-N -1 3 241.291 0.232 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)CC1CCC1 ZINC000225907539 384739084 /nfs/dbraw/zinc/73/90/84/384739084.db2.gz BGZYLVYLPCOBOG-UHFFFAOYSA-N -1 3 242.319 0.651 20 0 BCADHM CC(C)[C@H](C)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225908697 384745211 /nfs/dbraw/zinc/74/52/11/384745211.db2.gz SCCZXBQYISANTO-JTQLQIEISA-N -1 3 244.335 0.753 20 0 BCADHM CN(Cc1cc(=O)n2[n-]ccc2n1)C1CC1 ZINC000108852751 384754644 /nfs/dbraw/zinc/75/46/44/384754644.db2.gz DDDMDYBXDXQPLH-UHFFFAOYSA-N -1 3 218.260 0.617 20 0 BCADHM COC(C)(C)C[C@H](C)NC(=O)c1c[n-]nn1 ZINC000174146822 384759333 /nfs/dbraw/zinc/75/93/33/384759333.db2.gz QSXGEVSMVZIVII-ZETCQYMHSA-N -1 3 226.280 0.738 20 0 BCADHM COC(C)(C)C[C@H](C)NC(=O)c1cnn[n-]1 ZINC000174146822 384759341 /nfs/dbraw/zinc/75/93/41/384759341.db2.gz QSXGEVSMVZIVII-ZETCQYMHSA-N -1 3 226.280 0.738 20 0 BCADHM COC(C)(C)C[C@H](C)NC(=O)c1cn[n-]n1 ZINC000174146822 384759348 /nfs/dbraw/zinc/75/93/48/384759348.db2.gz QSXGEVSMVZIVII-ZETCQYMHSA-N -1 3 226.280 0.738 20 0 BCADHM CCN(C)CCNC(=O)c1ncccc1[O-] ZINC000054108744 384823492 /nfs/dbraw/zinc/82/34/92/384823492.db2.gz ZVEHHAHEWHAFNE-UHFFFAOYSA-N -1 3 223.276 0.469 20 0 BCADHM CCOCCC(=O)Nc1[n-]cnc1C(=O)OC ZINC000559238936 384837997 /nfs/dbraw/zinc/83/79/97/384837997.db2.gz LMPYGFQQUNZSOI-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM CCOCCC(=O)Nc1nc[n-]c1C(=O)OC ZINC000559238936 384838002 /nfs/dbraw/zinc/83/80/02/384838002.db2.gz LMPYGFQQUNZSOI-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM O=C([O-])CNC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000647369119 384835454 /nfs/dbraw/zinc/83/54/54/384835454.db2.gz KIAQJDUQZLFORH-UWVGGRQHSA-N -1 3 240.303 0.452 20 0 BCADHM O=C(c1ccccc1[O-])N1CCO[C@@H](CO)C1 ZINC000126366749 384795177 /nfs/dbraw/zinc/79/51/77/384795177.db2.gz CFGPYOWBGKIKSQ-SECBINFHSA-N -1 3 237.255 0.226 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H](C)OC ZINC000559233833 384808179 /nfs/dbraw/zinc/80/81/79/384808179.db2.gz GGSSEVXPKAWWJB-RXMQYKEDSA-N -1 3 227.220 0.170 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H](C)OC ZINC000559233833 384808187 /nfs/dbraw/zinc/80/81/87/384808187.db2.gz GGSSEVXPKAWWJB-RXMQYKEDSA-N -1 3 227.220 0.170 20 0 BCADHM C[C@@]1(CNC(=O)c2c[n-]nn2)CCCS1 ZINC000087620694 384815088 /nfs/dbraw/zinc/81/50/88/384815088.db2.gz BUNKECHZYIDJAP-VIFPVBQESA-N -1 3 226.305 0.820 20 0 BCADHM C[C@@]1(CNC(=O)c2cnn[n-]2)CCCS1 ZINC000087620694 384815096 /nfs/dbraw/zinc/81/50/96/384815096.db2.gz BUNKECHZYIDJAP-VIFPVBQESA-N -1 3 226.305 0.820 20 0 BCADHM C[C@@]1(CNC(=O)c2cn[n-]n2)CCCS1 ZINC000087620694 384815102 /nfs/dbraw/zinc/81/51/02/384815102.db2.gz BUNKECHZYIDJAP-VIFPVBQESA-N -1 3 226.305 0.820 20 0 BCADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1c[n-]nn1 ZINC000334714331 384880288 /nfs/dbraw/zinc/88/02/88/384880288.db2.gz NDZIBUFLPYZEQQ-WCBMZHEXSA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cnn[n-]1 ZINC000334714331 384880299 /nfs/dbraw/zinc/88/02/99/384880299.db2.gz NDZIBUFLPYZEQQ-WCBMZHEXSA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cn[n-]n1 ZINC000334714331 384880308 /nfs/dbraw/zinc/88/03/08/384880308.db2.gz NDZIBUFLPYZEQQ-WCBMZHEXSA-N -1 3 208.265 0.969 20 0 BCADHM O=c1[n-]c(SCCCO)nc2[nH]ncc21 ZINC000127386115 384890070 /nfs/dbraw/zinc/89/00/70/384890070.db2.gz AIEDECRPEQQQOX-UHFFFAOYSA-N -1 3 226.261 0.121 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104896653 384849516 /nfs/dbraw/zinc/84/95/16/384849516.db2.gz LEAUQXISBCPHOI-LHLIQPBNSA-N -1 3 244.250 0.708 20 0 BCADHM O=c1[n-]c(=O)n(CC2CC2)cc1Cl ZINC000085632965 384955751 /nfs/dbraw/zinc/95/57/51/384955751.db2.gz PUQPPUZLMKJDAK-UHFFFAOYSA-N -1 3 200.625 0.600 20 0 BCADHM CCCCN(C)c1nc2nncc-2c(O)[n-]1 ZINC000106461927 384915978 /nfs/dbraw/zinc/91/59/78/384915978.db2.gz RVPNMBVFGMSRMN-UHFFFAOYSA-N -1 3 221.264 0.883 20 0 BCADHM CCOC(=O)N[C@H]1CCCN([C@@H](C)C(=O)[O-])C1 ZINC000497300418 384946591 /nfs/dbraw/zinc/94/65/91/384946591.db2.gz WBPKIQBKMQHBBP-IUCAKERBSA-N -1 3 244.291 0.670 20 0 BCADHM C[C@H](C[S@@](C)=O)NC(=O)c1cccc([O-])c1 ZINC000164357470 384968472 /nfs/dbraw/zinc/96/84/72/384968472.db2.gz OEPQUXWMTPKWAX-BCTVWOGZSA-N -1 3 241.312 0.889 20 0 BCADHM COC(=O)[C@H](Sc1n[n-]c(CO)n1)C1CC1 ZINC000555865516 384976180 /nfs/dbraw/zinc/97/61/80/384976180.db2.gz FGKHXDMJBLCOSK-SSDOTTSWSA-N -1 3 243.288 0.341 20 0 BCADHM COC(=O)[C@H](C)NCc1nc(C)ccc1[O-] ZINC000085972493 384976253 /nfs/dbraw/zinc/97/62/53/384976253.db2.gz DPDLGEZYWDKCGS-QMMMGPOBSA-N -1 3 224.260 0.747 20 0 BCADHM CNC(=O)c1ccc(CO[N-]C(C)=O)cc1 ZINC000187813233 384984526 /nfs/dbraw/zinc/98/45/26/384984526.db2.gz OALFITKOHXLSHL-UHFFFAOYSA-N -1 3 222.244 0.614 20 0 BCADHM CN1C[C@H]2CCN(C(=O)c3cncc([O-])c3)[C@@H]2C1 ZINC000646912034 385064852 /nfs/dbraw/zinc/06/48/52/385064852.db2.gz LUBCZELICLDUSD-BXKDBHETSA-N -1 3 247.298 0.563 20 0 BCADHM CC(=O)NCCC[N-]S(=O)(=O)c1ccco1 ZINC000188587907 385068210 /nfs/dbraw/zinc/06/82/10/385068210.db2.gz KSKPITWCGPZWMA-UHFFFAOYSA-N -1 3 246.288 0.084 20 0 BCADHM COC[C@@H](C)C[N-]S(=O)(=O)c1ccco1 ZINC000188635671 385071400 /nfs/dbraw/zinc/07/14/00/385071400.db2.gz LTYSOUWAYKHUMU-QMMMGPOBSA-N -1 3 233.289 0.840 20 0 BCADHM CC[C@](C)(O)C[N-]S(=O)(=O)c1ccco1 ZINC000188709763 385082635 /nfs/dbraw/zinc/08/26/35/385082635.db2.gz PVSHSPZMCQPBAH-VIFPVBQESA-N -1 3 233.289 0.719 20 0 BCADHM CCc1ccc(C(=O)NOCC(N)=O)c([O-])c1 ZINC000189092331 385124906 /nfs/dbraw/zinc/12/49/06/385124906.db2.gz NTBOUEOLFQTCNX-UHFFFAOYSA-N -1 3 238.243 0.101 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2C)[n-]c(=O)n1 ZINC000129826771 385189968 /nfs/dbraw/zinc/18/99/68/385189968.db2.gz QFNJSBZORBLBLP-HTQZYQBOSA-N -1 3 237.259 0.398 20 0 BCADHM CCc1cc(=O)[n-]c(CN(CCO)C(C)C)n1 ZINC000176908904 385156613 /nfs/dbraw/zinc/15/66/13/385156613.db2.gz BTIZEBXQBDHZJI-UHFFFAOYSA-N -1 3 239.319 0.947 20 0 BCADHM O=C([O-])[C@H]1CCN(Cc2ccncc2)C1 ZINC000062134260 385160602 /nfs/dbraw/zinc/16/06/02/385160602.db2.gz OEHFSQFRCHJFNZ-JTQLQIEISA-N -1 3 206.245 0.988 20 0 BCADHM CN(C)CC[N-]S(=O)(=O)c1ccccc1F ZINC000007612655 385217230 /nfs/dbraw/zinc/21/72/30/385217230.db2.gz BIPZTKITHWTSRU-UHFFFAOYSA-N -1 3 246.307 0.666 20 0 BCADHM O=C([N-]c1nncs1)c1cc2ncccn2n1 ZINC000643920103 385223673 /nfs/dbraw/zinc/22/36/73/385223673.db2.gz OVXUUPZZJUSZRC-UHFFFAOYSA-N -1 3 246.255 0.833 20 0 BCADHM CC(C)c1nn(C)cc1[N-]S(=O)(=O)N(C)C ZINC000279892251 385224060 /nfs/dbraw/zinc/22/40/60/385224060.db2.gz ADFXVTSBMSWBMW-UHFFFAOYSA-N -1 3 246.336 0.762 20 0 BCADHM Cc1nc(C(=O)[N-]c2ncn(C)n2)co1 ZINC000647079420 385240051 /nfs/dbraw/zinc/24/00/51/385240051.db2.gz BIQSZJXFXMLTRQ-UHFFFAOYSA-N -1 3 207.193 0.364 20 0 BCADHM CO[C@@H](C)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000308949775 385312017 /nfs/dbraw/zinc/31/20/17/385312017.db2.gz UPCWKUDQBIBMAX-ZETCQYMHSA-N -1 3 233.293 0.113 20 0 BCADHM CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)C(=O)[O-] ZINC000647140416 385262410 /nfs/dbraw/zinc/26/24/10/385262410.db2.gz DFOJIBOVJUZTLB-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM CCOC[C@@H](NC(=O)c1c[n-]nn1)C(C)C ZINC000190926126 385270283 /nfs/dbraw/zinc/27/02/83/385270283.db2.gz ZAYYHGULDDKFKO-SECBINFHSA-N -1 3 226.280 0.596 20 0 BCADHM CCOC[C@@H](NC(=O)c1cnn[n-]1)C(C)C ZINC000190926126 385270297 /nfs/dbraw/zinc/27/02/97/385270297.db2.gz ZAYYHGULDDKFKO-SECBINFHSA-N -1 3 226.280 0.596 20 0 BCADHM CCOC[C@@H](NC(=O)c1cn[n-]n1)C(C)C ZINC000190926126 385270303 /nfs/dbraw/zinc/27/03/03/385270303.db2.gz ZAYYHGULDDKFKO-SECBINFHSA-N -1 3 226.280 0.596 20 0 BCADHM CCCCN(C)S(=O)(=O)[N-]c1cnn(C)c1 ZINC000158041444 385330699 /nfs/dbraw/zinc/33/06/99/385330699.db2.gz VLCJFCSFZSSYLZ-UHFFFAOYSA-N -1 3 246.336 0.809 20 0 BCADHM COC(=O)CN(C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192529158 385361437 /nfs/dbraw/zinc/36/14/37/385361437.db2.gz GRAKHOCOUHAVAY-MRVPVSSYSA-N -1 3 239.275 0.656 20 0 BCADHM O=S(=O)([N-]CCF)c1ccc(Cl)nc1 ZINC000280751372 385367516 /nfs/dbraw/zinc/36/75/16/385367516.db2.gz MLXWTUPWGHEAFU-UHFFFAOYSA-N -1 3 238.671 0.983 20 0 BCADHM N[C@H](C(=O)[N-]CC(F)(F)F)C(F)(F)F ZINC000309014099 385369813 /nfs/dbraw/zinc/36/98/13/385369813.db2.gz SZBYAPSAJBLRQM-UWTATZPHSA-N -1 3 224.104 0.555 20 0 BCADHM NC(C(=O)[N-]CC(F)(F)F)C(F)(F)F ZINC000309014099 385369815 /nfs/dbraw/zinc/36/98/15/385369815.db2.gz SZBYAPSAJBLRQM-UWTATZPHSA-N -1 3 224.104 0.555 20 0 BCADHM Cn1cc(CNC(=O)c2ccc(O)cc2[O-])cn1 ZINC000179449776 385375468 /nfs/dbraw/zinc/37/54/68/385375468.db2.gz SMSQQMQBVHXQCL-UHFFFAOYSA-N -1 3 247.254 0.761 20 0 BCADHM O=C(/C=C/c1ccncc1)[N-]O[C@@H]1CCOC1 ZINC000492426448 385376681 /nfs/dbraw/zinc/37/66/81/385376681.db2.gz NFUDNESZQPWNLI-FMBMQGQPSA-N -1 3 234.255 0.932 20 0 BCADHM C[C@H](O)CS(=O)(=O)c1cccc([O-])c1 ZINC000193173052 385386765 /nfs/dbraw/zinc/38/67/65/385386765.db2.gz DHGWMZCMXRNSTL-ZETCQYMHSA-N -1 3 216.258 0.547 20 0 BCADHM C[C@H]([N-]C(=O)C(C)(Cl)Cl)C(=O)N(C)C ZINC000191811777 385326976 /nfs/dbraw/zinc/32/69/76/385326976.db2.gz QDNSBHNVESDWTR-YFKPBYRVSA-N -1 3 241.118 0.773 20 0 BCADHM Cn1cc(NC([O-])=NO[C@@H]2CCCCO2)cn1 ZINC000155608108 385399749 /nfs/dbraw/zinc/39/97/49/385399749.db2.gz JFXDSWIVUHTFIB-SECBINFHSA-N -1 3 240.263 1.000 20 0 BCADHM Cn1cc(NC(=O)[N-]O[C@@H]2CCCCO2)cn1 ZINC000155608108 385399750 /nfs/dbraw/zinc/39/97/50/385399750.db2.gz JFXDSWIVUHTFIB-SECBINFHSA-N -1 3 240.263 1.000 20 0 BCADHM CN(CCCO)C(=O)c1ccccc1[O-] ZINC000282012679 385477194 /nfs/dbraw/zinc/47/71/94/385477194.db2.gz SUPUWGZENWZPKE-UHFFFAOYSA-N -1 3 209.245 0.847 20 0 BCADHM COCCn1cc([N-]S(=O)(=O)C2CC2)cn1 ZINC000171336131 385477769 /nfs/dbraw/zinc/47/77/69/385477769.db2.gz VFMLOPMAUNIZNW-UHFFFAOYSA-N -1 3 245.304 0.434 20 0 BCADHM CC[C@@H](C)[C@H](C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000179611259 385478302 /nfs/dbraw/zinc/47/83/02/385478302.db2.gz AUFNCLYOMPDGLN-CSMHCCOUSA-N -1 3 241.291 0.135 20 0 BCADHM Cc1cc(C(=O)N2CCC[C@@H]2C(N)=O)ccc1[O-] ZINC000206672651 385494219 /nfs/dbraw/zinc/49/42/19/385494219.db2.gz CUIKCQYGQYUCAR-SNVBAGLBSA-N -1 3 248.282 0.791 20 0 BCADHM O=S(=O)([N-]Cc1ccccn1)c1ccccn1 ZINC000012472898 385495374 /nfs/dbraw/zinc/49/53/74/385495374.db2.gz FIMBACCQNCEWEO-UHFFFAOYSA-N -1 3 249.295 0.955 20 0 BCADHM C[C@H](O)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000493420747 385574010 /nfs/dbraw/zinc/57/40/10/385574010.db2.gz OGZPGDFDOMHPOF-SGJFDWMWSA-N -1 3 222.244 0.297 20 0 BCADHM CCCc1nsc([N-][C@@H](CO)C(=O)NC)n1 ZINC000309438092 385582054 /nfs/dbraw/zinc/58/20/54/385582054.db2.gz HVRJECYGTALRGL-LURJTMIESA-N -1 3 244.320 0.009 20 0 BCADHM C[C@H](CN=c1nn[n-]n1C)N1CCC[C@H](C)C1 ZINC000593991546 385592242 /nfs/dbraw/zinc/59/22/42/385592242.db2.gz ZGSHTJWPWPOYTM-VHSXEESVSA-N -1 3 238.339 0.164 20 0 BCADHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccccn1 ZINC000340077447 385641557 /nfs/dbraw/zinc/64/15/57/385641557.db2.gz GSEUVGLNOQZPEU-SECBINFHSA-N -1 3 244.316 0.785 20 0 BCADHM Cn1cnc(C[N-]C(=O)C(C)(Cl)Cl)n1 ZINC000182348053 385660029 /nfs/dbraw/zinc/66/00/29/385660029.db2.gz QFLPQRVAWXLQJR-UHFFFAOYSA-N -1 3 237.090 0.625 20 0 BCADHM C[C@@H]1CN(Cc2nc3c(cnn3C)c(=O)[n-]2)[C@H]1C ZINC000645218072 385679505 /nfs/dbraw/zinc/67/95/05/385679505.db2.gz BJGJEJJTPVJJFT-SFYZADRCSA-N -1 3 247.302 0.909 20 0 BCADHM CCO[C@@H]1C[C@H]1C(=O)Nc1nnc(OC)[n-]1 ZINC000182997908 385727971 /nfs/dbraw/zinc/72/79/71/385727971.db2.gz KLGPDTHWWFUWOY-PHDIDXHHSA-N -1 3 226.236 0.177 20 0 BCADHM CCO[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(OC)n1 ZINC000182997908 385727976 /nfs/dbraw/zinc/72/79/76/385727976.db2.gz KLGPDTHWWFUWOY-PHDIDXHHSA-N -1 3 226.236 0.177 20 0 BCADHM CCO[C@@H]1C[C@H]1C(=O)Nc1nc(OC)n[n-]1 ZINC000182997908 385727982 /nfs/dbraw/zinc/72/79/82/385727982.db2.gz KLGPDTHWWFUWOY-PHDIDXHHSA-N -1 3 226.236 0.177 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CCCC(=O)N1 ZINC000270634552 385724225 /nfs/dbraw/zinc/72/42/25/385724225.db2.gz WIQAWWCFSGWBMT-SSDOTTSWSA-N -1 3 235.243 0.394 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1cnccn1 ZINC000493729805 533147986 /nfs/dbraw/zinc/14/79/86/533147986.db2.gz UQCSSUPOGBIAAK-NSCUHMNNSA-N -1 3 223.232 0.184 20 0 BCADHM CCON=C([O-])Nc1nc(CC)no1 ZINC000294232494 385825983 /nfs/dbraw/zinc/82/59/83/385825983.db2.gz OAJKBTMZAQAIJV-UHFFFAOYSA-N -1 3 200.198 0.705 20 0 BCADHM CCO[N-]C(=O)Nc1nc(CC)no1 ZINC000294232494 385825985 /nfs/dbraw/zinc/82/59/85/385825985.db2.gz OAJKBTMZAQAIJV-UHFFFAOYSA-N -1 3 200.198 0.705 20 0 BCADHM CCON=C([O-])Nc1ncncc1OC ZINC000294269624 385831120 /nfs/dbraw/zinc/83/11/20/385831120.db2.gz RQXCDDUKBNIIHD-UHFFFAOYSA-N -1 3 212.209 0.558 20 0 BCADHM CCO[N-]C(=O)Nc1ncncc1OC ZINC000294269624 385831122 /nfs/dbraw/zinc/83/11/22/385831122.db2.gz RQXCDDUKBNIIHD-UHFFFAOYSA-N -1 3 212.209 0.558 20 0 BCADHM NC(=O)CCCNC(=O)c1ccc(O)cc1[O-] ZINC000221963028 385831427 /nfs/dbraw/zinc/83/14/27/385831427.db2.gz MMKPEAHVMCXOPQ-UHFFFAOYSA-N -1 3 238.243 0.093 20 0 BCADHM CO[N-]C(=O)C[C@@H]1COc2ccccc2O1 ZINC000294388994 385844769 /nfs/dbraw/zinc/84/47/69/385844769.db2.gz JYYMRIQHKOBDOD-MRVPVSSYSA-N -1 3 223.228 0.894 20 0 BCADHM COCCO[N-]C(=O)/C=C\c1ccn(C)c1 ZINC000493685584 533146788 /nfs/dbraw/zinc/14/67/88/533146788.db2.gz FEUTUVZCVOJLOD-ARJAWSKDSA-N -1 3 224.260 0.733 20 0 BCADHM COCCO[N-]C(=O)/C=C\c1ccncn1 ZINC000493094519 533147013 /nfs/dbraw/zinc/14/70/13/533147013.db2.gz RCVBNJYJYLGEPY-IHWYPQMZSA-N -1 3 223.232 0.184 20 0 BCADHM CCC[C@H]([N-]S(=O)(=O)c1ccco1)C(N)=O ZINC000285244585 385908332 /nfs/dbraw/zinc/90/83/32/385908332.db2.gz BXVSFNVZPOIAHU-ZETCQYMHSA-N -1 3 246.288 0.212 20 0 BCADHM CCN(CCO)C(=O)c1ccc([O-])c(OC)c1 ZINC000272642451 385920531 /nfs/dbraw/zinc/92/05/31/385920531.db2.gz XYMLOUYQEVCKGU-UHFFFAOYSA-N -1 3 239.271 0.855 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)C2(CO)CC2)n1 ZINC000285408465 385925864 /nfs/dbraw/zinc/92/58/64/385925864.db2.gz FQSLMIYJJXLSGZ-UHFFFAOYSA-N -1 3 237.303 0.701 20 0 BCADHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000342100463 385926302 /nfs/dbraw/zinc/92/63/02/385926302.db2.gz OQKMTUZYBDEIET-HTQZYQBOSA-N -1 3 233.289 0.981 20 0 BCADHM Cn1cnnc1C[N-]C(=O)C(C)(Cl)Cl ZINC000272019932 385867443 /nfs/dbraw/zinc/86/74/43/385867443.db2.gz NECYUKDXSCTHEH-UHFFFAOYSA-N -1 3 237.090 0.625 20 0 BCADHM CSc1nnc(NC(=O)[C@H](O)C(C)C)[n-]1 ZINC000285904287 385977449 /nfs/dbraw/zinc/97/74/49/385977449.db2.gz HBVHEXBMQIOYAG-RXMQYKEDSA-N -1 3 230.293 0.482 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H](O)C(C)C)n1 ZINC000285904287 385977454 /nfs/dbraw/zinc/97/74/54/385977454.db2.gz HBVHEXBMQIOYAG-RXMQYKEDSA-N -1 3 230.293 0.482 20 0 BCADHM CSc1nc(NC(=O)[C@H](O)C(C)C)n[n-]1 ZINC000285904287 385977457 /nfs/dbraw/zinc/97/74/57/385977457.db2.gz HBVHEXBMQIOYAG-RXMQYKEDSA-N -1 3 230.293 0.482 20 0 BCADHM CCN1CCN(C(=O)c2ccccc2[O-])CC1=O ZINC000273236253 385982448 /nfs/dbraw/zinc/98/24/48/385982448.db2.gz AQBJHNVGPBTUNE-UHFFFAOYSA-N -1 3 248.282 0.697 20 0 BCADHM CNS(=O)(=O)[N-][C@H](COC)c1ccco1 ZINC000286002400 385985931 /nfs/dbraw/zinc/98/59/31/385985931.db2.gz NSQKWVADIFKCBI-SSDOTTSWSA-N -1 3 234.277 0.021 20 0 BCADHM CCCC(=O)NCc1cnc(C)[n-]c1=O ZINC000345088123 385991593 /nfs/dbraw/zinc/99/15/93/385991593.db2.gz COIDYVTWXHRGAL-UHFFFAOYSA-N -1 3 209.249 0.907 20 0 BCADHM O=C([N-]n1cnnc1)C(F)(F)C1(O)CCCC1 ZINC000285673680 385953787 /nfs/dbraw/zinc/95/37/87/385953787.db2.gz POHZSRFYQQNLFY-UHFFFAOYSA-N -1 3 246.217 0.289 20 0 BCADHM CO[C@@H]1CC[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000189155102 385957850 /nfs/dbraw/zinc/95/78/50/385957850.db2.gz OPLQZBDXBHCLDX-NKWVEPMBSA-N -1 3 210.237 0.102 20 0 BCADHM CO[C@@H]1CC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000189155102 385957855 /nfs/dbraw/zinc/95/78/55/385957855.db2.gz OPLQZBDXBHCLDX-NKWVEPMBSA-N -1 3 210.237 0.102 20 0 BCADHM CO[C@@H]1CC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000189155102 385957860 /nfs/dbraw/zinc/95/78/60/385957860.db2.gz OPLQZBDXBHCLDX-NKWVEPMBSA-N -1 3 210.237 0.102 20 0 BCADHM COC(=O)CCNC(=O)c1c([O-])cccc1O ZINC000220219100 385961107 /nfs/dbraw/zinc/96/11/07/385961107.db2.gz DJFUQMXCRBSHGU-UHFFFAOYSA-N -1 3 239.227 0.391 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)C1COC1)c1cncs1 ZINC000338424806 385999293 /nfs/dbraw/zinc/99/92/93/385999293.db2.gz MZAGFKZSJORHHF-ZCFIWIBFSA-N -1 3 248.329 0.522 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1ccoc1)C(=O)OC ZINC000286179138 386005684 /nfs/dbraw/zinc/00/56/84/386005684.db2.gz ZEOTYTYSCIBJOO-QMMMGPOBSA-N -1 3 247.272 0.510 20 0 BCADHM CCO[N-]C(=O)Nc1cncc(C(=O)OC)c1 ZINC000273654265 386021594 /nfs/dbraw/zinc/02/15/94/386021594.db2.gz BIYSDDVTCZXXGM-UHFFFAOYSA-N -1 3 239.231 0.941 20 0 BCADHM Cc1ncc(CNC(=O)c2cn(C)cn2)c(=O)[n-]1 ZINC000345131588 386035229 /nfs/dbraw/zinc/03/52/29/386035229.db2.gz RWLFZCSDONEDQV-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM COC(=O)N[C@@H](C)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000496984061 386046108 /nfs/dbraw/zinc/04/61/08/386046108.db2.gz GUSXFBWLDGFLJD-RITPCOANSA-N -1 3 245.304 0.338 20 0 BCADHM CS[C@H](C)C(=O)NCc1cnc(C)[n-]c1=O ZINC000345106544 385996756 /nfs/dbraw/zinc/99/67/56/385996756.db2.gz XBLGJTGYOADPSI-ZCFIWIBFSA-N -1 3 241.316 0.858 20 0 BCADHM COC[C@@H](CO)NC(=O)c1ccc(C)cc1[O-] ZINC000234846546 386105706 /nfs/dbraw/zinc/10/57/06/386105706.db2.gz TVHFMTKTBJQTFD-SECBINFHSA-N -1 3 239.271 0.438 20 0 BCADHM COC[C@@H](CO)NC(=O)c1cccc([O-])c1 ZINC000234851937 386108798 /nfs/dbraw/zinc/10/87/98/386108798.db2.gz YXOUMVPITJSSNC-SECBINFHSA-N -1 3 225.244 0.129 20 0 BCADHM COC[C@@H](CO)NCc1cc([O-])cc(F)c1 ZINC000234867842 386109993 /nfs/dbraw/zinc/10/99/93/386109993.db2.gz RBOIAZIBLBPMRN-SNVBAGLBSA-N -1 3 229.251 0.628 20 0 BCADHM C[C@H](O)CCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000425439502 386064624 /nfs/dbraw/zinc/06/46/24/386064624.db2.gz AOARENQSPNGVFQ-DTWKUNHWSA-N -1 3 240.307 0.461 20 0 BCADHM C[C@@H](O)CCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000425439506 386065174 /nfs/dbraw/zinc/06/51/74/386065174.db2.gz AOARENQSPNGVFQ-RKDXNWHRSA-N -1 3 240.307 0.461 20 0 BCADHM C[C@H](O)CCN1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000425446718 386078174 /nfs/dbraw/zinc/07/81/74/386078174.db2.gz QFNKRZWODKBTDT-IUCAKERBSA-N -1 3 239.323 0.135 20 0 BCADHM C[C@@H](O)CCN1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000425446719 386079771 /nfs/dbraw/zinc/07/97/71/386079771.db2.gz QFNKRZWODKBTDT-RKDXNWHRSA-N -1 3 239.323 0.135 20 0 BCADHM C[C@H]1OCCC[C@@H]1C(=O)Nc1ccncc1[O-] ZINC000408331510 386098948 /nfs/dbraw/zinc/09/89/48/386098948.db2.gz NVCQQEUXLZMMPZ-BDAKNGLRSA-N -1 3 236.271 0.963 20 0 BCADHM CCC[C@H](O)CNc1nc2nncc-2c(O)[n-]1 ZINC000274703396 386140123 /nfs/dbraw/zinc/14/01/23/386140123.db2.gz VIYULAKJTYCBDH-LURJTMIESA-N -1 3 237.263 0.631 20 0 BCADHM CC[C@H](N=c1ncnc2[nH][n-]cc1-2)C(C)(C)O ZINC000338793457 386141736 /nfs/dbraw/zinc/14/17/36/386141736.db2.gz VCKCTJDQOSSLMD-QMMMGPOBSA-N -1 3 235.291 0.688 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)[C@H]1CCCOC1 ZINC000355568876 386208383 /nfs/dbraw/zinc/20/83/83/386208383.db2.gz SIAKUQWSGHYHMY-BDAKNGLRSA-N -1 3 247.302 0.953 20 0 BCADHM O=C(NCC(F)F)C(=O)Nc1ccccc1[O-] ZINC000347024461 386217101 /nfs/dbraw/zinc/21/71/01/386217101.db2.gz DOCWOLBDRXWODP-UHFFFAOYSA-N -1 3 244.197 0.712 20 0 BCADHM C[C@H](F)CC[N-]S(=O)(=O)c1cnn(C)c1 ZINC000339035321 386217294 /nfs/dbraw/zinc/21/72/94/386217294.db2.gz VXXJBYAQCIPSFD-ZETCQYMHSA-N -1 3 235.284 0.447 20 0 BCADHM C[C@H](F)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000339031814 386217780 /nfs/dbraw/zinc/21/77/80/386217780.db2.gz IHBOAPYCLBNYSC-LURJTMIESA-N -1 3 221.257 0.436 20 0 BCADHM CC(C)(C)[C@@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000275533720 386219389 /nfs/dbraw/zinc/21/93/89/386219389.db2.gz XRTQCHGYFCMFCO-QMMMGPOBSA-N -1 3 247.316 0.965 20 0 BCADHM Cn1nccc1C[N-]C(=O)C(C)(F)F ZINC000288630725 386223114 /nfs/dbraw/zinc/22/31/14/386223114.db2.gz SPFQRESMHYDBQQ-UHFFFAOYSA-N -1 3 203.192 0.692 20 0 BCADHM CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1c[n-]nn1 ZINC000275646066 386227326 /nfs/dbraw/zinc/22/73/26/386227326.db2.gz NCZQWBYTEHRIFU-PSASIEDQSA-N -1 3 238.291 0.596 20 0 BCADHM CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC000275646066 386227330 /nfs/dbraw/zinc/22/73/30/386227330.db2.gz NCZQWBYTEHRIFU-PSASIEDQSA-N -1 3 238.291 0.596 20 0 BCADHM CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn[n-]n1 ZINC000275646066 386227334 /nfs/dbraw/zinc/22/73/34/386227334.db2.gz NCZQWBYTEHRIFU-PSASIEDQSA-N -1 3 238.291 0.596 20 0 BCADHM CC[C@H](O)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000339200297 386292350 /nfs/dbraw/zinc/29/23/50/386292350.db2.gz LOQQBEYIUSBFPW-IUCAKERBSA-N -1 3 240.307 0.461 20 0 BCADHM C[C@@H](O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000276349826 386307310 /nfs/dbraw/zinc/30/73/10/386307310.db2.gz KERARYRCWJOVTL-ZCFIWIBFSA-N -1 3 213.208 0.528 20 0 BCADHM Cn1ccnc1C[N-]C(=O)C(C)(F)F ZINC000289108991 386262554 /nfs/dbraw/zinc/26/25/54/386262554.db2.gz DVCIQFFPDJHGQM-UHFFFAOYSA-N -1 3 203.192 0.692 20 0 BCADHM CO[C@@H](C)CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000276018777 386263229 /nfs/dbraw/zinc/26/32/29/386263229.db2.gz RVUOTZDGHFKSFF-ZETCQYMHSA-N -1 3 225.248 0.255 20 0 BCADHM CSc1nnc(NC(=O)c2c[nH]c(C)n2)[n-]1 ZINC000264815691 386270044 /nfs/dbraw/zinc/27/00/44/386270044.db2.gz GPXNHBJNRVGKOZ-UHFFFAOYSA-N -1 3 238.276 0.810 20 0 BCADHM CSc1n[n-]c(NC(=O)c2c[nH]c(C)n2)n1 ZINC000264815691 386270051 /nfs/dbraw/zinc/27/00/51/386270051.db2.gz GPXNHBJNRVGKOZ-UHFFFAOYSA-N -1 3 238.276 0.810 20 0 BCADHM CSc1nc(NC(=O)c2c[nH]c(C)n2)n[n-]1 ZINC000264815691 386270059 /nfs/dbraw/zinc/27/00/59/386270059.db2.gz GPXNHBJNRVGKOZ-UHFFFAOYSA-N -1 3 238.276 0.810 20 0 BCADHM CCC=C(C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297663740 386272520 /nfs/dbraw/zinc/27/25/20/386272520.db2.gz FWKDGZHWRUEKQT-SNAWJCMRSA-N -1 3 223.236 0.198 20 0 BCADHM CC/C=C(\C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297663740 386272525 /nfs/dbraw/zinc/27/25/25/386272525.db2.gz FWKDGZHWRUEKQT-SNAWJCMRSA-N -1 3 223.236 0.198 20 0 BCADHM CCC=C(C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297663740 386272529 /nfs/dbraw/zinc/27/25/29/386272529.db2.gz FWKDGZHWRUEKQT-SNAWJCMRSA-N -1 3 223.236 0.198 20 0 BCADHM CCCS(=O)(=O)[N-][C@H](CC1CC1)C(=O)OC ZINC000416596156 386345352 /nfs/dbraw/zinc/34/53/52/386345352.db2.gz XWRGQZWWXYSFEE-SECBINFHSA-N -1 3 249.332 0.658 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](OC)C2)n1 ZINC000336692770 386366138 /nfs/dbraw/zinc/36/61/38/386366138.db2.gz ISVDJFIRPYBKGD-SNVBAGLBSA-N -1 3 237.303 0.965 20 0 BCADHM O=S(=O)([N-]C[C@H]1CC[C@H](O)C1)c1ccco1 ZINC000276749321 386372276 /nfs/dbraw/zinc/37/22/76/386372276.db2.gz SQWYWWBRXNSLQA-IUCAKERBSA-N -1 3 245.300 0.719 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)C=C(C)C)n1 ZINC000265430483 386336916 /nfs/dbraw/zinc/33/69/16/386336916.db2.gz IHSWRCVFBLAAMA-UHFFFAOYSA-N -1 3 238.247 0.425 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)C=C(C)C)[n-]1 ZINC000265430483 386336921 /nfs/dbraw/zinc/33/69/21/386336921.db2.gz IHSWRCVFBLAAMA-UHFFFAOYSA-N -1 3 238.247 0.425 20 0 BCADHM COC(=O)Cc1nc(NC(=O)C=C(C)C)n[n-]1 ZINC000265430483 386336927 /nfs/dbraw/zinc/33/69/27/386336927.db2.gz IHSWRCVFBLAAMA-UHFFFAOYSA-N -1 3 238.247 0.425 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)C2CCC2)n1 ZINC000265440689 386339467 /nfs/dbraw/zinc/33/94/67/386339467.db2.gz KVOLVQJQFJDDMY-UHFFFAOYSA-N -1 3 238.247 0.259 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)C2CCC2)[n-]1 ZINC000265440689 386339471 /nfs/dbraw/zinc/33/94/71/386339471.db2.gz KVOLVQJQFJDDMY-UHFFFAOYSA-N -1 3 238.247 0.259 20 0 BCADHM COC(=O)Cc1nc(NC(=O)C2CCC2)n[n-]1 ZINC000265440689 386339476 /nfs/dbraw/zinc/33/94/76/386339476.db2.gz KVOLVQJQFJDDMY-UHFFFAOYSA-N -1 3 238.247 0.259 20 0 BCADHM Cc1cc(C(=O)N(C)CC(N)=O)ccc1[O-] ZINC000227018839 386445832 /nfs/dbraw/zinc/44/58/32/386445832.db2.gz NSRDAKDTUDKPBY-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM CCN(C(=O)c1cn(C)c(=O)[n-]c1=O)C(C)C ZINC000298876455 386393579 /nfs/dbraw/zinc/39/35/79/386393579.db2.gz XWMDRWDRIVEGKH-UHFFFAOYSA-N -1 3 239.275 0.356 20 0 BCADHM CC(C)CCNC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000266149393 386402479 /nfs/dbraw/zinc/40/24/79/386402479.db2.gz BOFOKUKVFFDRHB-UHFFFAOYSA-N -1 3 240.263 0.246 20 0 BCADHM O=S(=O)([N-]C1CCOCC1)c1cscn1 ZINC000645482302 386411313 /nfs/dbraw/zinc/41/13/13/386411313.db2.gz NFSROSDAVRSAOI-UHFFFAOYSA-N -1 3 248.329 0.600 20 0 BCADHM C[C@@H](O)CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000277295829 386424015 /nfs/dbraw/zinc/42/40/15/386424015.db2.gz DEDIQCBJCBWAJH-RXMQYKEDSA-N -1 3 238.222 0.208 20 0 BCADHM C[C@@H](O)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000277295829 386424019 /nfs/dbraw/zinc/42/40/19/386424019.db2.gz DEDIQCBJCBWAJH-RXMQYKEDSA-N -1 3 238.222 0.208 20 0 BCADHM C[C@@H](O)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000277295829 386424023 /nfs/dbraw/zinc/42/40/23/386424023.db2.gz DEDIQCBJCBWAJH-RXMQYKEDSA-N -1 3 238.222 0.208 20 0 BCADHM CN(C)C1CN(C(=O)c2c([O-])cccc2F)C1 ZINC000274791045 386424691 /nfs/dbraw/zinc/42/46/91/386424691.db2.gz LLLXYRIBFVKLDJ-UHFFFAOYSA-N -1 3 238.262 0.917 20 0 BCADHM C[C@H](O)CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000277295833 386425927 /nfs/dbraw/zinc/42/59/27/386425927.db2.gz DEDIQCBJCBWAJH-YFKPBYRVSA-N -1 3 238.222 0.208 20 0 BCADHM C[C@H](O)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000277295833 386425930 /nfs/dbraw/zinc/42/59/30/386425930.db2.gz DEDIQCBJCBWAJH-YFKPBYRVSA-N -1 3 238.222 0.208 20 0 BCADHM C[C@H](O)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000277295833 386425935 /nfs/dbraw/zinc/42/59/35/386425935.db2.gz DEDIQCBJCBWAJH-YFKPBYRVSA-N -1 3 238.222 0.208 20 0 BCADHM CCc1ccc(C(=O)NC2(C(N)=O)CC2)c([O-])c1 ZINC000188341051 386427220 /nfs/dbraw/zinc/42/72/20/386427220.db2.gz OXAXYZFWRQMEQG-UHFFFAOYSA-N -1 3 248.282 0.702 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@H]2CCSC2)c1 ZINC000266346121 386429049 /nfs/dbraw/zinc/42/90/49/386429049.db2.gz WHTSPPGGYUIPNK-ZETCQYMHSA-N -1 3 247.345 0.204 20 0 BCADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335453722 386528424 /nfs/dbraw/zinc/52/84/24/386528424.db2.gz WAOWHVOVAAPTNU-JGVFFNPUSA-N -1 3 229.305 0.354 20 0 BCADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335453724 386528552 /nfs/dbraw/zinc/52/85/52/386528552.db2.gz WAOWHVOVAAPTNU-YUMQZZPRSA-N -1 3 229.305 0.354 20 0 BCADHM CCc1cc(=O)[n-]c(CN(CC)[C@@H](C)CO)n1 ZINC000339628420 386494715 /nfs/dbraw/zinc/49/47/15/386494715.db2.gz PPDVXXWKMHVMOD-VIFPVBQESA-N -1 3 239.319 0.947 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC[C@H](O)C1 ZINC000061704325 386529670 /nfs/dbraw/zinc/52/96/70/386529670.db2.gz QZIOXWLGKFUAEA-JTQLQIEISA-N -1 3 207.229 0.599 20 0 BCADHM COC[C@@H](C)N(C)C(=O)Cc1cncc([O-])c1 ZINC000519619746 386508618 /nfs/dbraw/zinc/50/86/18/386508618.db2.gz VWGRCNJPUJEQFR-SECBINFHSA-N -1 3 238.287 0.823 20 0 BCADHM COC(=O)[C@H](C)C[N-]C(=O)C(F)(F)C(F)F ZINC000267239446 386516759 /nfs/dbraw/zinc/51/67/59/386516759.db2.gz ILUBPDNTWNLQPQ-SCSAIBSYSA-N -1 3 245.172 0.812 20 0 BCADHM O=C(NCc1cccnc1)c1c[n-]nn1 ZINC000048888980 386454530 /nfs/dbraw/zinc/45/45/30/386454530.db2.gz WYMKSCFPXGGCNC-UHFFFAOYSA-N -1 3 203.205 0.130 20 0 BCADHM O=C(NCc1cccnc1)c1cnn[n-]1 ZINC000048888980 386454536 /nfs/dbraw/zinc/45/45/36/386454536.db2.gz WYMKSCFPXGGCNC-UHFFFAOYSA-N -1 3 203.205 0.130 20 0 BCADHM O=C(NCc1cccnc1)c1cn[n-]n1 ZINC000048888980 386454541 /nfs/dbraw/zinc/45/45/41/386454541.db2.gz WYMKSCFPXGGCNC-UHFFFAOYSA-N -1 3 203.205 0.130 20 0 BCADHM CC[S@](=O)CC(=O)Nc1ncccc1[O-] ZINC000278729207 386575809 /nfs/dbraw/zinc/57/58/09/386575809.db2.gz UBYDCWIGHQNQLP-HNNXBMFYSA-N -1 3 228.273 0.494 20 0 BCADHM CCN(CC)S(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000337027912 386579493 /nfs/dbraw/zinc/57/94/93/386579493.db2.gz BRHFFKDFFNJURN-UHFFFAOYSA-N -1 3 242.291 0.960 20 0 BCADHM Cn1cc(CC(=O)[N-]OC/C=C/Cl)cn1 ZINC000291754344 386579801 /nfs/dbraw/zinc/57/98/01/386579801.db2.gz HFSKUARMBMUZJP-NSCUHMNNSA-N -1 3 229.667 0.763 20 0 BCADHM C[C@@H]1C[C@H](C(=O)Nc2ccncc2[O-])CO1 ZINC000408423180 386570916 /nfs/dbraw/zinc/57/09/16/386570916.db2.gz WVBHQWVFMXBUBN-SFYZADRCSA-N -1 3 222.244 0.573 20 0 BCADHM O=C(N[C@H]1CCC[C@H](F)C1)c1c[n-]nn1 ZINC000335507739 386641362 /nfs/dbraw/zinc/64/13/62/386641362.db2.gz AKYLUSVOWUKFDO-BQBZGAKWSA-N -1 3 212.228 0.815 20 0 BCADHM O=C(N[C@H]1CCC[C@H](F)C1)c1cnn[n-]1 ZINC000335507739 386641365 /nfs/dbraw/zinc/64/13/65/386641365.db2.gz AKYLUSVOWUKFDO-BQBZGAKWSA-N -1 3 212.228 0.815 20 0 BCADHM O=C(N[C@H]1CCC[C@H](F)C1)c1cn[n-]n1 ZINC000335507739 386641369 /nfs/dbraw/zinc/64/13/69/386641369.db2.gz AKYLUSVOWUKFDO-BQBZGAKWSA-N -1 3 212.228 0.815 20 0 BCADHM Cc1ncc(CNC(=O)N[C@@H]2CC23CC3)c(=O)[n-]1 ZINC000644974939 386649297 /nfs/dbraw/zinc/64/92/97/386649297.db2.gz RTCIIUBFINBVJR-SECBINFHSA-N -1 3 248.286 0.842 20 0 BCADHM CC[C@@H](C)C[C@@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000645356110 386656254 /nfs/dbraw/zinc/65/62/54/386656254.db2.gz RNZIVCVXBHWBAE-BDAKNGLRSA-N -1 3 249.318 0.935 20 0 BCADHM N=c1nc(N(CCO)C2CCC2)nc2[nH][n-]cc1-2 ZINC000525877470 386669355 /nfs/dbraw/zinc/66/93/55/386669355.db2.gz KYZBFJNUDILJDH-UHFFFAOYSA-N -1 3 248.290 0.068 20 0 BCADHM C[C@@]1(NC(=O)c2cccc([O-])c2)CCOC1=O ZINC000292449908 386673418 /nfs/dbraw/zinc/67/34/18/386673418.db2.gz KSBFUPNIDHZCIW-GFCCVEGCSA-N -1 3 235.239 0.828 20 0 BCADHM O=C(N[C@@H]1CC[C@H]1O)c1ccccc1[O-] ZINC000335519654 386657355 /nfs/dbraw/zinc/65/73/55/386657355.db2.gz NCAGJHRGWDUCTB-PSASIEDQSA-N -1 3 207.229 0.645 20 0 BCADHM Cc1ccc([O-])c(CNCC(F)(F)CN)n1 ZINC000414927466 386683438 /nfs/dbraw/zinc/68/34/38/386683438.db2.gz LGUYTGMLRIHVAG-UHFFFAOYSA-N -1 3 231.246 0.779 20 0 BCADHM Cc1c(CC(=O)[N-]OCC(C)C)cnn1C ZINC000292554099 386687813 /nfs/dbraw/zinc/68/78/13/386687813.db2.gz REEGAFUEZAKRDK-UHFFFAOYSA-N -1 3 225.292 0.975 20 0 BCADHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335469598 386688814 /nfs/dbraw/zinc/68/88/14/386688814.db2.gz IWEGMPCLPGOYJN-RKDXNWHRSA-N -1 3 243.332 0.887 20 0 BCADHM CO[C@H](CNc1nc2nncc-2c(O)[n-]1)C1CC1 ZINC000292652310 386703243 /nfs/dbraw/zinc/70/32/43/386703243.db2.gz BUEBTDBFHCBMDZ-MRVPVSSYSA-N -1 3 249.274 0.895 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C[C@H]2CC2(C)C)n1 ZINC000335483444 386712320 /nfs/dbraw/zinc/71/23/20/386712320.db2.gz FWIYFLRYZNEFIS-MRVPVSSYSA-N -1 3 243.332 0.745 20 0 BCADHM CO[C@H](C(=O)[N-]c1nncn1C)C1CC1 ZINC000279893950 386751033 /nfs/dbraw/zinc/75/10/33/386751033.db2.gz DFCMPQKAPLDTBB-ZETCQYMHSA-N -1 3 210.237 0.179 20 0 BCADHM O=C(C[C@@H]1CCCC(=O)N1)Nc1ccncc1[O-] ZINC000348531929 386752410 /nfs/dbraw/zinc/75/24/10/386752410.db2.gz NXBXSUWQANMBPY-QMMMGPOBSA-N -1 3 249.270 0.206 20 0 BCADHM CCOC(=O)[C@@H](C)Sc1n[n-]c(CO)n1 ZINC000527055172 386766455 /nfs/dbraw/zinc/76/64/55/386766455.db2.gz ILHGXTZMIMYABV-RXMQYKEDSA-N -1 3 231.277 0.341 20 0 BCADHM C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000340858999 386789840 /nfs/dbraw/zinc/78/98/40/386789840.db2.gz ZYMIJHMTXNWQRD-DTWKUNHWSA-N -1 3 244.316 0.519 20 0 BCADHM CSCCO[N-]C(=O)[C@@H]1C[C@@H]1c1nnc[nH]1 ZINC000366539990 386776039 /nfs/dbraw/zinc/77/60/39/386776039.db2.gz MECUZIGNTOCWDT-NKWVEPMBSA-N -1 3 242.304 0.319 20 0 BCADHM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1ccco1 ZINC000344825260 386784131 /nfs/dbraw/zinc/78/41/31/386784131.db2.gz JKIYFQCTXITLKP-SECBINFHSA-N -1 3 247.316 0.822 20 0 BCADHM CSCCO[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000280154211 386785224 /nfs/dbraw/zinc/78/52/24/386785224.db2.gz YBDOGVLZPMVINX-UHFFFAOYSA-N -1 3 242.300 0.410 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CCC2(C)CC2)c1 ZINC000280461810 386816451 /nfs/dbraw/zinc/81/64/51/386816451.db2.gz MERXOSIJXSIGOE-UHFFFAOYSA-N -1 3 243.332 0.889 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1CCC[C@H]1CCO ZINC000329950897 386816332 /nfs/dbraw/zinc/81/63/32/386816332.db2.gz CKIOQVFETZRSBU-ZETCQYMHSA-N -1 3 242.300 0.836 20 0 BCADHM C[C@H]1CN(C)CCN1C(=O)c1csc(=O)[n-]1 ZINC000329955332 386817168 /nfs/dbraw/zinc/81/71/68/386817168.db2.gz OXPXOSKIEVNWPS-ZETCQYMHSA-N -1 3 241.316 0.625 20 0 BCADHM CC[C@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@H]1O ZINC000329981314 386819383 /nfs/dbraw/zinc/81/93/83/386819383.db2.gz NACFHUPVRVRKES-POYBYMJQSA-N -1 3 242.300 0.692 20 0 BCADHM O=S(=O)(CCC1CC1)[N-]Cc1ccno1 ZINC000329781986 386803498 /nfs/dbraw/zinc/80/34/98/386803498.db2.gz NOSFTTRUBYXAEK-UHFFFAOYSA-N -1 3 230.289 0.894 20 0 BCADHM CN(Cc1n[nH]c(=O)[n-]1)C1CCC(CO)CC1 ZINC000340905520 386807621 /nfs/dbraw/zinc/80/76/21/386807621.db2.gz YWTAABVQPPRNDI-UHFFFAOYSA-N -1 3 240.307 0.493 20 0 BCADHM CN(C[C@H]1CCOC1)c1nc2nncc-2c(O)[n-]1 ZINC000330095477 386829712 /nfs/dbraw/zinc/82/97/12/386829712.db2.gz VOAPFTUROORZPS-SSDOTTSWSA-N -1 3 249.274 0.531 20 0 BCADHM COC[C@@H](O)CNCc1c(F)ccc([O-])c1F ZINC000293603358 386845644 /nfs/dbraw/zinc/84/56/44/386845644.db2.gz LIAVSQVLEWISCZ-ZETCQYMHSA-N -1 3 247.241 0.767 20 0 BCADHM COC[C@H](O)CNCc1c(F)ccc([O-])c1F ZINC000293603353 386846056 /nfs/dbraw/zinc/84/60/56/386846056.db2.gz LIAVSQVLEWISCZ-SSDOTTSWSA-N -1 3 247.241 0.767 20 0 BCADHM COC1(C)CN(C(=O)c2csc(=O)[n-]2)C1 ZINC000335755747 386882001 /nfs/dbraw/zinc/88/20/01/386882001.db2.gz SWRQMZLECQNNDZ-UHFFFAOYSA-N -1 3 228.273 0.710 20 0 BCADHM CN1C(=O)CC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000330779051 386883155 /nfs/dbraw/zinc/88/31/55/386883155.db2.gz VUXBEVXLDCLTEC-VIFPVBQESA-N -1 3 249.270 0.024 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C2CC2)o1 ZINC000331700291 386883933 /nfs/dbraw/zinc/88/39/33/386883933.db2.gz VYUCSWBZALLZOF-VIFPVBQESA-N -1 3 245.300 0.637 20 0 BCADHM O=C(CCc1ncc[nH]1)[N-]OCC1CC1 ZINC000293833779 386887410 /nfs/dbraw/zinc/88/74/10/386887410.db2.gz SSYOVHKUABOJHL-UHFFFAOYSA-N -1 3 209.249 0.800 20 0 BCADHM CO[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1(C)C ZINC000331740797 386889208 /nfs/dbraw/zinc/88/92/08/386889208.db2.gz ANSVUSCXCLRMFE-RNFRBKRXSA-N -1 3 226.280 0.413 20 0 BCADHM O=C(/C=C/c1ccncn1)[N-]OCC1CC1 ZINC000293842892 386889755 /nfs/dbraw/zinc/88/97/55/386889755.db2.gz UHGTVKGZUJGVHY-ONEGZZNKSA-N -1 3 219.244 0.948 20 0 BCADHM COC(=O)c1ccnc(NC(=O)c2cnn[n-]2)c1 ZINC000358240425 386918033 /nfs/dbraw/zinc/91/80/33/386918033.db2.gz MEZCDXNOFWHPKA-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM COC(=O)c1ccnc(NC(=O)c2c[n-]nn2)c1 ZINC000358240425 386918039 /nfs/dbraw/zinc/91/80/39/386918039.db2.gz MEZCDXNOFWHPKA-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM COC(=O)c1ccnc(NC(=O)c2cn[n-]n2)c1 ZINC000358240425 386918042 /nfs/dbraw/zinc/91/80/42/386918042.db2.gz MEZCDXNOFWHPKA-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM COC1(C)CN(c2nc3nncc-3c(O)[n-]2)C1 ZINC000330316611 386925835 /nfs/dbraw/zinc/92/58/35/386925835.db2.gz QBCISYVOHBOSFV-UHFFFAOYSA-N -1 3 235.247 0.284 20 0 BCADHM COC[C@H](C)N(C)C(=O)c1csc(=O)[n-]1 ZINC000330955407 386927699 /nfs/dbraw/zinc/92/76/99/386927699.db2.gz BLFXFSKPXQQQKZ-LURJTMIESA-N -1 3 230.289 0.956 20 0 BCADHM CO[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000331028537 386935812 /nfs/dbraw/zinc/93/58/12/386935812.db2.gz WXEBWYIJFCECIF-SSDOTTSWSA-N -1 3 210.233 0.438 20 0 BCADHM CCS(=O)(=O)[N-][C@@H](CC(F)F)C(=O)OC ZINC000341719223 386955667 /nfs/dbraw/zinc/95/56/67/386955667.db2.gz RZUKTAFGXYMBEH-YFKPBYRVSA-N -1 3 245.247 0.123 20 0 BCADHM Cn1nnnc1C[S@](=O)c1ccc([O-])cc1 ZINC000341745780 386958518 /nfs/dbraw/zinc/95/85/18/386958518.db2.gz ZAPYBURUXLMFDD-INIZCTEOSA-N -1 3 238.272 0.224 20 0 BCADHM Cc1[nH]nc2ncc(NC(=O)c3nc[n-]n3)cc12 ZINC000341796739 386964327 /nfs/dbraw/zinc/96/43/27/386964327.db2.gz PLMKNJPPBGWSGI-UHFFFAOYSA-N -1 3 243.230 0.637 20 0 BCADHM CO[C@@H](C)C[N-]S(=O)(=O)Cc1ccon1 ZINC000331275120 386994391 /nfs/dbraw/zinc/99/43/91/386994391.db2.gz NKTSUONNEMYMNV-ZETCQYMHSA-N -1 3 234.277 0.129 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@H]1CCCC(=O)N1 ZINC000333495446 387038938 /nfs/dbraw/zinc/03/89/38/387038938.db2.gz NHBNFQSLUSPMJA-MRVPVSSYSA-N -1 3 249.270 0.072 20 0 BCADHM C[C@@H](O)C[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000334060745 387053204 /nfs/dbraw/zinc/05/32/04/387053204.db2.gz YIECAJUKAWQNGL-PHDIDXHHSA-N -1 3 230.289 0.738 20 0 BCADHM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1c[n-]nn1 ZINC000334090332 387056923 /nfs/dbraw/zinc/05/69/23/387056923.db2.gz NLDUISVDRNMEKO-XCBNKYQSSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cnn[n-]1 ZINC000334090332 387056928 /nfs/dbraw/zinc/05/69/28/387056928.db2.gz NLDUISVDRNMEKO-XCBNKYQSSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cn[n-]n1 ZINC000334090332 387056933 /nfs/dbraw/zinc/05/69/33/387056933.db2.gz NLDUISVDRNMEKO-XCBNKYQSSA-N -1 3 226.280 0.332 20 0 BCADHM C[C@@H](O)C[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000228189258 387070250 /nfs/dbraw/zinc/07/02/50/387070250.db2.gz KVDKTLXPBOLBNM-JGVFFNPUSA-N -1 3 248.286 0.847 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@H](O)C1CCCCC1 ZINC000188847236 387098216 /nfs/dbraw/zinc/09/82/16/387098216.db2.gz RELXBSFHYDVVQZ-SECBINFHSA-N -1 3 238.291 0.695 20 0 BCADHM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C1CC1 ZINC000069533780 387117711 /nfs/dbraw/zinc/11/77/11/387117711.db2.gz GRILHFOYDJCFCR-SECBINFHSA-N -1 3 249.314 1.000 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ncnn1C ZINC000352458067 387223412 /nfs/dbraw/zinc/22/34/12/387223412.db2.gz ZMHDBPRMPZFMCP-ZCFIWIBFSA-N -1 3 244.262 0.028 20 0 BCADHM C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000230139492 387233377 /nfs/dbraw/zinc/23/33/77/387233377.db2.gz MITVWTXDMAVEGK-CBAPKCEASA-N -1 3 245.304 0.256 20 0 BCADHM CCO[C@H](C)c1nccn1Cc1nnn[n-]1 ZINC000360567336 387310593 /nfs/dbraw/zinc/31/05/93/387310593.db2.gz DVSCANQFSRIZPG-SSDOTTSWSA-N -1 3 222.252 0.542 20 0 BCADHM CCO[C@H](C)c1nccn1Cc1nn[n-]n1 ZINC000360567336 387310595 /nfs/dbraw/zinc/31/05/95/387310595.db2.gz DVSCANQFSRIZPG-SSDOTTSWSA-N -1 3 222.252 0.542 20 0 BCADHM Cc1ccc(NC(=O)[C@@H](C)NC(N)=O)c([O-])c1 ZINC000301385025 387257261 /nfs/dbraw/zinc/25/72/61/387257261.db2.gz LFGJGVKSCFMWRV-SSDOTTSWSA-N -1 3 237.259 0.696 20 0 BCADHM Cc1n[nH]cc1C(=O)NCc1ncccc1[O-] ZINC000352514758 387284237 /nfs/dbraw/zinc/28/42/37/387284237.db2.gz CERQFGGCTSLORP-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@@H]1CCCC(=O)N1 ZINC000352516887 387286284 /nfs/dbraw/zinc/28/62/84/387286284.db2.gz NHBNFQSLUSPMJA-QMMMGPOBSA-N -1 3 249.270 0.072 20 0 BCADHM Cn1cc(C(=O)NCC2(C)CC2)c(=O)[n-]c1=O ZINC000336481013 387309346 /nfs/dbraw/zinc/30/93/46/387309346.db2.gz KYYWCYQRHLEQFI-UHFFFAOYSA-N -1 3 237.259 0.016 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-][C@H](C)COC)c1 ZINC000354305345 387358342 /nfs/dbraw/zinc/35/83/42/387358342.db2.gz QJKCFBWSGBNWLT-MRVPVSSYSA-N -1 3 247.320 0.216 20 0 BCADHM O=C([N-]c1nncs1)c1cnn2ncccc12 ZINC000361338438 387441207 /nfs/dbraw/zinc/44/12/07/387441207.db2.gz FAMSLOKJXPBJBR-UHFFFAOYSA-N -1 3 246.255 0.833 20 0 BCADHM CNCC(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000423738737 387405778 /nfs/dbraw/zinc/40/57/78/387405778.db2.gz GRHCBWUGCYYGKC-UHFFFAOYSA-N -1 3 238.243 0.337 20 0 BCADHM O=S(=O)([N-]C1(CCO)CC1)c1ccco1 ZINC000431601837 387420953 /nfs/dbraw/zinc/42/09/53/387420953.db2.gz UZZAIYKZDGHBJD-UHFFFAOYSA-N -1 3 231.273 0.473 20 0 BCADHM NC(=O)[C@H]1CCCCN1Cc1ncccc1[O-] ZINC000516347480 387500290 /nfs/dbraw/zinc/50/02/90/387500290.db2.gz YHUIYIVTLRMQHW-SNVBAGLBSA-N -1 3 235.287 0.627 20 0 BCADHM O=C([O-])C[C@H]1CN(CC2CCC2)CCO1 ZINC000085617985 387502101 /nfs/dbraw/zinc/50/21/01/387502101.db2.gz PYVMLSLPDBMPKD-JTQLQIEISA-N -1 3 213.277 0.962 20 0 BCADHM NC(=O)C1(C(=O)NCc2ncccc2[O-])CCC1 ZINC000527191873 387522762 /nfs/dbraw/zinc/52/27/62/387522762.db2.gz CGUWKANGXUMYSV-UHFFFAOYSA-N -1 3 249.270 0.059 20 0 BCADHM O=c1[n-]nc(CN2CCO[C@@H]3CCC[C@H]32)s1 ZINC000375357095 387531326 /nfs/dbraw/zinc/53/13/26/387531326.db2.gz TXSDNEBFBZRXQI-HTQZYQBOSA-N -1 3 241.316 0.997 20 0 BCADHM O=C(COC(F)F)NCc1ncccc1[O-] ZINC000355432684 387538399 /nfs/dbraw/zinc/53/83/99/387538399.db2.gz FFUWBZOQSJKRIV-UHFFFAOYSA-N -1 3 232.186 0.643 20 0 BCADHM Cc1cc(C)c(CNC(=O)c2c[n-]nn2)cn1 ZINC000397119596 387541271 /nfs/dbraw/zinc/54/12/71/387541271.db2.gz ZQZCVFSJYQVYPH-UHFFFAOYSA-N -1 3 231.259 0.747 20 0 BCADHM Cc1cc(C)c(CNC(=O)c2cnn[n-]2)cn1 ZINC000397119596 387541275 /nfs/dbraw/zinc/54/12/75/387541275.db2.gz ZQZCVFSJYQVYPH-UHFFFAOYSA-N -1 3 231.259 0.747 20 0 BCADHM Cc1cc(C)c(CNC(=O)c2cn[n-]n2)cn1 ZINC000397119596 387541277 /nfs/dbraw/zinc/54/12/77/387541277.db2.gz ZQZCVFSJYQVYPH-UHFFFAOYSA-N -1 3 231.259 0.747 20 0 BCADHM CCN(CCC1CC1)Cc1nc(=O)n(C)[n-]1 ZINC000355036486 387467543 /nfs/dbraw/zinc/46/75/43/387467543.db2.gz JNLFCOUQQSXNIN-UHFFFAOYSA-N -1 3 224.308 0.730 20 0 BCADHM Cc1cnc(C(=O)N2CC(N(C)C)C2)c([O-])c1 ZINC000361497762 387470923 /nfs/dbraw/zinc/47/09/23/387470923.db2.gz ZHCQDVCQISTCEY-UHFFFAOYSA-N -1 3 235.287 0.482 20 0 BCADHM C[C@@H](CCCO)[N-]S(=O)(=O)c1ccccn1 ZINC000305699436 387628710 /nfs/dbraw/zinc/62/87/10/387628710.db2.gz PCKCBYQSFADFEY-VIFPVBQESA-N -1 3 244.316 0.521 20 0 BCADHM CCc1cc(C(=O)NCC(N)=O)ccc1[O-] ZINC000362491839 387618135 /nfs/dbraw/zinc/61/81/35/387618135.db2.gz GLRZTOXCNRBYHE-UHFFFAOYSA-N -1 3 222.244 0.170 20 0 BCADHM C[C@H](CCO)[N-]S(=O)(=O)c1ccccn1 ZINC000305636910 387622078 /nfs/dbraw/zinc/62/20/78/387622078.db2.gz BBCLCISFNQECBW-MRVPVSSYSA-N -1 3 230.289 0.131 20 0 BCADHM CCNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000035149877 387554325 /nfs/dbraw/zinc/55/43/25/387554325.db2.gz YGRJSGGKZPXQNV-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM COc1ccc([O-])c(C(=O)NCCCO)c1 ZINC000035205305 387562601 /nfs/dbraw/zinc/56/26/01/387562601.db2.gz XALLQHXVPNPGIG-UHFFFAOYSA-N -1 3 225.244 0.513 20 0 BCADHM Cn1cnc([N-]C(=O)c2cncs2)n1 ZINC000356443287 387659405 /nfs/dbraw/zinc/65/94/05/387659405.db2.gz LURXLAXCWILTGF-UHFFFAOYSA-N -1 3 209.234 0.524 20 0 BCADHM Cc1cc(C(=O)NCC[C@@H](C)F)[n-]c(=O)n1 ZINC000356650964 387685884 /nfs/dbraw/zinc/68/58/84/387685884.db2.gz LDIBYWJYSCZKCQ-ZCFIWIBFSA-N -1 3 227.239 0.969 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@H]1CCOC1 ZINC000126560127 387689434 /nfs/dbraw/zinc/68/94/34/387689434.db2.gz JOAMZSOKLITDAO-SFYZADRCSA-N -1 3 245.304 0.113 20 0 BCADHM Cn1cnc(CCNC(=O)c2cccc([O-])c2)n1 ZINC000128265763 387742911 /nfs/dbraw/zinc/74/29/11/387742911.db2.gz XSNIZHPXXGQIAR-UHFFFAOYSA-N -1 3 246.270 0.493 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H]2C(=O)NCC[C@H]2C)n1 ZINC000441338494 387746200 /nfs/dbraw/zinc/74/62/00/387746200.db2.gz FMFTUVPQOSMXSU-PELKAZGASA-N -1 3 249.314 0.710 20 0 BCADHM Cc1nc(C(=O)[N-]c2nc[nH]n2)c(C)o1 ZINC000431328206 387699583 /nfs/dbraw/zinc/69/95/83/387699583.db2.gz LRTAQOXUQACJAM-UHFFFAOYSA-N -1 3 207.193 0.662 20 0 BCADHM CC(C)n1cc(C(=O)[N-]c2nncs2)nn1 ZINC000431338487 387703105 /nfs/dbraw/zinc/70/31/05/387703105.db2.gz SWJFGSKCKJIVCX-UHFFFAOYSA-N -1 3 238.276 0.963 20 0 BCADHM COCc1nn(Cc2ncccc2[O-])c(=O)o1 ZINC000521462330 387755682 /nfs/dbraw/zinc/75/56/82/387755682.db2.gz FUPBDCICTQQSID-UHFFFAOYSA-N -1 3 237.215 0.132 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)C1CCC1 ZINC000645631370 387911779 /nfs/dbraw/zinc/91/17/79/387911779.db2.gz QNBXEMKLIVMCBQ-MRVPVSSYSA-N -1 3 243.332 0.887 20 0 BCADHM O=S(=O)([N-][C@H]1CCOC1)c1cscn1 ZINC000645628436 387912630 /nfs/dbraw/zinc/91/26/30/387912630.db2.gz UYGKKDQNCJOIQL-LURJTMIESA-N -1 3 234.302 0.210 20 0 BCADHM C[C@@]1(O)CCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000177361244 387917504 /nfs/dbraw/zinc/91/75/04/387917504.db2.gz QVZCQPFELBSCOK-GFCCVEGCSA-N -1 3 246.270 0.555 20 0 BCADHM CN(C(=O)c1cccc2[n-]nnc21)[C@H]1CCOC1 ZINC000527107188 387934826 /nfs/dbraw/zinc/93/48/26/387934826.db2.gz FYZHUUBTYNSREX-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM CN(C(=O)c1cccc2nn[n-]c21)[C@H]1CCOC1 ZINC000527107188 387934830 /nfs/dbraw/zinc/93/48/30/387934830.db2.gz FYZHUUBTYNSREX-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM CN(C(=O)c1cccc2n[n-]nc21)[C@H]1CCOC1 ZINC000527107188 387934836 /nfs/dbraw/zinc/93/48/36/387934836.db2.gz FYZHUUBTYNSREX-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM CC1(CNC(=O)c2cccc3nn[n-]c32)COC1 ZINC000527107559 387934954 /nfs/dbraw/zinc/93/49/54/387934954.db2.gz XTGUEDWNMWWEDZ-UHFFFAOYSA-N -1 3 246.270 0.724 20 0 BCADHM CC1(CNC(=O)c2cccc3[n-]nnc32)COC1 ZINC000527107559 387934956 /nfs/dbraw/zinc/93/49/56/387934956.db2.gz XTGUEDWNMWWEDZ-UHFFFAOYSA-N -1 3 246.270 0.724 20 0 BCADHM CC1(CNC(=O)c2cccc3n[n-]nc32)COC1 ZINC000527107559 387934959 /nfs/dbraw/zinc/93/49/59/387934959.db2.gz XTGUEDWNMWWEDZ-UHFFFAOYSA-N -1 3 246.270 0.724 20 0 BCADHM C[C@@](O)(C[N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000445754392 387963589 /nfs/dbraw/zinc/96/35/89/387963589.db2.gz YWWKKYMQEWDFOP-SNVBAGLBSA-N -1 3 245.300 0.719 20 0 BCADHM CCc1cc(CN=c2ncnc3[nH][n-]cc2-3)on1 ZINC000533112500 387973414 /nfs/dbraw/zinc/97/34/14/387973414.db2.gz RPNAIUZJQXYKER-UHFFFAOYSA-N -1 3 244.258 0.889 20 0 BCADHM O=C(NCCc1cccc(F)c1)c1c[n-]nn1 ZINC000108286355 388024940 /nfs/dbraw/zinc/02/49/40/388024940.db2.gz WCKJAQDAWRWHSR-UHFFFAOYSA-N -1 3 234.234 0.916 20 0 BCADHM O=C(NCCc1cccc(F)c1)c1cnn[n-]1 ZINC000108286355 388024943 /nfs/dbraw/zinc/02/49/43/388024943.db2.gz WCKJAQDAWRWHSR-UHFFFAOYSA-N -1 3 234.234 0.916 20 0 BCADHM O=C(NCCc1cccc(F)c1)c1cn[n-]n1 ZINC000108286355 388024947 /nfs/dbraw/zinc/02/49/47/388024947.db2.gz WCKJAQDAWRWHSR-UHFFFAOYSA-N -1 3 234.234 0.916 20 0 BCADHM C[C@@H](CO)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000159542947 388020207 /nfs/dbraw/zinc/02/02/07/388020207.db2.gz JTXRFVAVLQYRPT-ZETCQYMHSA-N -1 3 225.244 0.551 20 0 BCADHM COc1cccc(CCNC(=O)c2c[n-]nn2)n1 ZINC000440665502 388065343 /nfs/dbraw/zinc/06/53/43/388065343.db2.gz GEHYJRZVKRUGFQ-UHFFFAOYSA-N -1 3 247.258 0.181 20 0 BCADHM COc1cccc(CCNC(=O)c2cnn[n-]2)n1 ZINC000440665502 388065346 /nfs/dbraw/zinc/06/53/46/388065346.db2.gz GEHYJRZVKRUGFQ-UHFFFAOYSA-N -1 3 247.258 0.181 20 0 BCADHM COc1cccc(CCNC(=O)c2cn[n-]n2)n1 ZINC000440665502 388065350 /nfs/dbraw/zinc/06/53/50/388065350.db2.gz GEHYJRZVKRUGFQ-UHFFFAOYSA-N -1 3 247.258 0.181 20 0 BCADHM COCCOCC(=O)Nc1nc(C)ccc1[O-] ZINC000447635271 388084465 /nfs/dbraw/zinc/08/44/65/388084465.db2.gz YLDJHJCRCVIPHO-UHFFFAOYSA-N -1 3 240.259 0.697 20 0 BCADHM CC[C@@H](C)N1CCO[C@H](CC(=O)[O-])C1 ZINC000082382161 388092485 /nfs/dbraw/zinc/09/24/85/388092485.db2.gz GFNVRJHYZGYAAC-RKDXNWHRSA-N -1 3 201.266 0.960 20 0 BCADHM COCCCCCNC(=O)c1c[n-]nn1 ZINC000195080569 388096905 /nfs/dbraw/zinc/09/69/05/388096905.db2.gz ODNBTWQWJPLQGA-UHFFFAOYSA-N -1 3 212.253 0.351 20 0 BCADHM COCCCCCNC(=O)c1cnn[n-]1 ZINC000195080569 388096906 /nfs/dbraw/zinc/09/69/06/388096906.db2.gz ODNBTWQWJPLQGA-UHFFFAOYSA-N -1 3 212.253 0.351 20 0 BCADHM COCCCCCNC(=O)c1cn[n-]n1 ZINC000195080569 388096908 /nfs/dbraw/zinc/09/69/08/388096908.db2.gz ODNBTWQWJPLQGA-UHFFFAOYSA-N -1 3 212.253 0.351 20 0 BCADHM C[C@@H]1CN[C@@H](C)CN1C(=O)c1ncccc1[O-] ZINC000086467832 388102638 /nfs/dbraw/zinc/10/26/38/388102638.db2.gz GYFFFLSZGNBWLR-DTWKUNHWSA-N -1 3 235.287 0.610 20 0 BCADHM O=S(=O)([N-]CC1(C2CC2)CC1)c1c[nH]cn1 ZINC000160114539 388046782 /nfs/dbraw/zinc/04/67/82/388046782.db2.gz RFXJJEXRBNYSGK-UHFFFAOYSA-N -1 3 241.316 0.878 20 0 BCADHM COCCCCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646265143 388173320 /nfs/dbraw/zinc/17/33/20/388173320.db2.gz NGILYLSJRCSMLX-UHFFFAOYSA-N -1 3 238.251 0.208 20 0 BCADHM O=C(CCc1ccco1)[N-]c1nnc2[nH]cnn12 ZINC000646267074 388174063 /nfs/dbraw/zinc/17/40/63/388174063.db2.gz AHIQJDGZTIXWJB-UHFFFAOYSA-N -1 3 246.230 0.617 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2COC[C@@H]2O)ccc1[O-] ZINC000323313876 388257750 /nfs/dbraw/zinc/25/77/50/388257750.db2.gz UMCIWDBMZUYMIC-KOLCDFICSA-N -1 3 237.255 0.190 20 0 BCADHM Cc1ccc([O-])c(CN2CC(=O)N[C@@H](C)C2)n1 ZINC000449525245 388224480 /nfs/dbraw/zinc/22/44/80/388224480.db2.gz QWSMXECSFIFKMF-VIFPVBQESA-N -1 3 235.287 0.416 20 0 BCADHM C[C@H](C[S@@](C)=O)NC(=O)c1ccccc1[O-] ZINC000164339582 388232109 /nfs/dbraw/zinc/23/21/09/388232109.db2.gz GUBWCTOANVQADG-BCTVWOGZSA-N -1 3 241.312 0.889 20 0 BCADHM CCO[C@@H]1CCC[C@H]1NC(=O)c1c[n-]nn1 ZINC000456925990 388233675 /nfs/dbraw/zinc/23/36/75/388233675.db2.gz LOQVDAJOGMKSJT-VXNVDRBHSA-N -1 3 224.264 0.492 20 0 BCADHM CCO[C@@H]1CCC[C@H]1NC(=O)c1cnn[n-]1 ZINC000456925990 388233679 /nfs/dbraw/zinc/23/36/79/388233679.db2.gz LOQVDAJOGMKSJT-VXNVDRBHSA-N -1 3 224.264 0.492 20 0 BCADHM CCO[C@@H]1CCC[C@H]1NC(=O)c1cn[n-]n1 ZINC000456925990 388233681 /nfs/dbraw/zinc/23/36/81/388233681.db2.gz LOQVDAJOGMKSJT-VXNVDRBHSA-N -1 3 224.264 0.492 20 0 BCADHM C=CC(=O)NCCC(=O)NCc1ncccc1[O-] ZINC000490561641 388240629 /nfs/dbraw/zinc/24/06/29/388240629.db2.gz VAPHSXYQTAZJTF-UHFFFAOYSA-N -1 3 249.270 0.096 20 0 BCADHM COC(=O)NC(C)(C)C(=O)[N-]C1=NCCS1 ZINC000491328608 388286033 /nfs/dbraw/zinc/28/60/33/388286033.db2.gz DASFWNCXHVCDCD-UHFFFAOYSA-N -1 3 245.304 0.340 20 0 BCADHM COCCCS(=O)(=O)[N-][C@H](C)C(C)(F)F ZINC000451686235 388289633 /nfs/dbraw/zinc/28/96/33/388289633.db2.gz DWXGOMRFABJAQV-SSDOTTSWSA-N -1 3 245.291 0.986 20 0 BCADHM COc1nc(NC(=O)C[C@@H]2C[C@H]2C)n[n-]1 ZINC000518651499 256583937 /nfs/dbraw/zinc/58/39/37/256583937.db2.gz LDXZLMMLGOYEOF-RITPCOANSA-N -1 3 210.237 0.798 20 0 BCADHM COc1nnc(NC(=O)C[C@@H]2C[C@H]2C)[n-]1 ZINC000518651499 256583939 /nfs/dbraw/zinc/58/39/39/256583939.db2.gz LDXZLMMLGOYEOF-RITPCOANSA-N -1 3 210.237 0.798 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@@H]2C[C@H]2C)n1 ZINC000518651499 256583940 /nfs/dbraw/zinc/58/39/40/256583940.db2.gz LDXZLMMLGOYEOF-RITPCOANSA-N -1 3 210.237 0.798 20 0 BCADHM Cc1ccncc1/C=C\C(=O)[N-]OCCO ZINC000492031763 388332048 /nfs/dbraw/zinc/33/20/48/388332048.db2.gz NECCGVLSASSAFC-IHWYPQMZSA-N -1 3 222.244 0.443 20 0 BCADHM COc1ccc(/C=C/C(=O)[N-]OCCO)cc1 ZINC000492036601 388332351 /nfs/dbraw/zinc/33/23/51/388332351.db2.gz ZMNDOZZXWZCZMK-QPJJXVBHSA-N -1 3 237.255 0.749 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1C(=O)/C=C\c1cncc([O-])c1 ZINC000492050621 388332947 /nfs/dbraw/zinc/33/29/47/388332947.db2.gz VFJJLFJMGJCGFF-FSZPXCJPSA-N -1 3 248.282 0.782 20 0 BCADHM CO[C@H](C)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000491963128 388329890 /nfs/dbraw/zinc/32/98/90/388329890.db2.gz KWBIWMZQXIHJSS-ZBJFTSOASA-N -1 3 236.271 0.952 20 0 BCADHM Cc1ccc(/C=C/C(=O)[N-]OCCO)cn1 ZINC000491972449 388330303 /nfs/dbraw/zinc/33/03/03/388330303.db2.gz LOUSEFJXFNHKGJ-SNAWJCMRSA-N -1 3 222.244 0.443 20 0 BCADHM O=C(/C=C\c1ccnc(Cl)c1)[N-]OCCO ZINC000491991855 388331000 /nfs/dbraw/zinc/33/10/00/388331000.db2.gz PDNVKKOMFJYXIF-UPHRSURJSA-N -1 3 242.662 0.788 20 0 BCADHM CN(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000071140104 388268624 /nfs/dbraw/zinc/26/86/24/388268624.db2.gz XMQLCCJTWOTWRA-SECBINFHSA-N -1 3 235.287 0.563 20 0 BCADHM O=C(/C=C/c1ccc[nH]1)[N-]O[C@H]1CCOC1 ZINC000492004752 388331081 /nfs/dbraw/zinc/33/10/81/388331081.db2.gz TUHGYQOPXXNBSY-FSIBCCDJSA-N -1 3 222.244 0.865 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCC(O)CC1 ZINC000492341952 388342203 /nfs/dbraw/zinc/34/22/03/388342203.db2.gz OTTRSZSALJSGRC-UPHRSURJSA-N -1 3 248.282 0.784 20 0 BCADHM NC(=O)CO[N-]C(=O)/C=C\c1ccc(F)cc1 ZINC000492345381 388342211 /nfs/dbraw/zinc/34/22/11/388342211.db2.gz CVJOOEHDKIJUTL-UTCJRWHESA-N -1 3 238.218 0.372 20 0 BCADHM CCN(CC(=O)Nc1c(C)[n-][nH]c1=O)C1CC1 ZINC000646412973 388353058 /nfs/dbraw/zinc/35/30/58/388353058.db2.gz LCUPHGJTEXHGCQ-UHFFFAOYSA-N -1 3 238.291 0.847 20 0 BCADHM CS[C@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000524397158 388357871 /nfs/dbraw/zinc/35/78/71/388357871.db2.gz KLPIOKBBLRCMGH-HTQZYQBOSA-N -1 3 243.332 0.366 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC(C)C ZINC000524397636 388358426 /nfs/dbraw/zinc/35/84/26/388358426.db2.gz CYDNWUYYEMCKBE-VIFPVBQESA-N -1 3 225.292 0.661 20 0 BCADHM C[C@H](NC1CC1)C(=O)Nc1ncccc1[O-] ZINC000294685390 388403667 /nfs/dbraw/zinc/40/36/67/388403667.db2.gz FMSNPUARPHAKJH-ZETCQYMHSA-N -1 3 221.260 0.866 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@@H]2C[C@@H]21 ZINC000646747300 388455279 /nfs/dbraw/zinc/45/52/79/388455279.db2.gz OITSOSQCIJYLQP-GXSJLCMTSA-N -1 3 235.239 0.711 20 0 BCADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ncn(C)n1 ZINC000649228796 388463644 /nfs/dbraw/zinc/46/36/44/388463644.db2.gz AIRQAZHMHVUQCC-UHFFFAOYSA-N -1 3 248.290 0.644 20 0 BCADHM NC(=O)c1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000108453294 388464297 /nfs/dbraw/zinc/46/42/97/388464297.db2.gz NJOCHCYAYAWONN-UHFFFAOYSA-N -1 3 231.215 0.156 20 0 BCADHM NC(=O)c1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC000108453294 388464300 /nfs/dbraw/zinc/46/43/00/388464300.db2.gz NJOCHCYAYAWONN-UHFFFAOYSA-N -1 3 231.215 0.156 20 0 BCADHM NC(=O)c1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000108453294 388464301 /nfs/dbraw/zinc/46/43/01/388464301.db2.gz NJOCHCYAYAWONN-UHFFFAOYSA-N -1 3 231.215 0.156 20 0 BCADHM O=C(Nc1ccc2c[nH]nc2c1)c1cnn[n-]1 ZINC000108453496 388464495 /nfs/dbraw/zinc/46/44/95/388464495.db2.gz KKLWYRFTKXDGOP-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1ccc2c[nH]nc2c1)c1c[n-]nn1 ZINC000108453496 388464499 /nfs/dbraw/zinc/46/44/99/388464499.db2.gz KKLWYRFTKXDGOP-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1ccc2c[nH]nc2c1)c1cn[n-]n1 ZINC000108453496 388464502 /nfs/dbraw/zinc/46/45/02/388464502.db2.gz KKLWYRFTKXDGOP-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(NCCc1ccc(F)cc1)c1c[n-]nn1 ZINC000108285417 388464942 /nfs/dbraw/zinc/46/49/42/388464942.db2.gz RLZBRWRNLDBITL-UHFFFAOYSA-N -1 3 234.234 0.916 20 0 BCADHM O=C(NCCc1ccc(F)cc1)c1cnn[n-]1 ZINC000108285417 388464945 /nfs/dbraw/zinc/46/49/45/388464945.db2.gz RLZBRWRNLDBITL-UHFFFAOYSA-N -1 3 234.234 0.916 20 0 BCADHM O=C(NCCc1ccc(F)cc1)c1cn[n-]n1 ZINC000108285417 388464947 /nfs/dbraw/zinc/46/49/47/388464947.db2.gz RLZBRWRNLDBITL-UHFFFAOYSA-N -1 3 234.234 0.916 20 0 BCADHM CN(CCNc1nc(C(=O)[O-])co1)C1CC1 ZINC000165891063 388412133 /nfs/dbraw/zinc/41/21/33/388412133.db2.gz YSVSEHBIXYKHAX-UHFFFAOYSA-N -1 3 225.248 0.879 20 0 BCADHM O=C([O-])CCN(CCO)Cc1ccccc1 ZINC000040173543 388412692 /nfs/dbraw/zinc/41/26/92/388412692.db2.gz PURWRJDONKZLRE-UHFFFAOYSA-N -1 3 223.272 0.956 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@H]2COC[C@H]2O)c1 ZINC000296894893 388426062 /nfs/dbraw/zinc/42/60/62/388426062.db2.gz JZKUCUHPMFNFLK-MWLCHTKSSA-N -1 3 237.255 0.190 20 0 BCADHM C[C@@H](NCC(=O)Nc1nnn[n-]1)C(C)(C)C ZINC000573255147 388436210 /nfs/dbraw/zinc/43/62/10/388436210.db2.gz MONZZBCDHCCQDI-ZCFIWIBFSA-N -1 3 226.284 0.162 20 0 BCADHM CC[C@]1(O)CCN(c2nc3nncc-3c(O)[n-]2)C1 ZINC000548616407 388548226 /nfs/dbraw/zinc/54/82/26/388548226.db2.gz MEWNTDWHSATPCN-NSHDSACASA-N -1 3 249.274 0.410 20 0 BCADHM COc1nc(NC(=O)C2(CF)CCC2)n[n-]1 ZINC000516972382 388516758 /nfs/dbraw/zinc/51/67/58/388516758.db2.gz BRROPFXQURUHAS-UHFFFAOYSA-N -1 3 228.227 0.892 20 0 BCADHM COc1nnc(NC(=O)C2(CF)CCC2)[n-]1 ZINC000516972382 388516762 /nfs/dbraw/zinc/51/67/62/388516762.db2.gz BRROPFXQURUHAS-UHFFFAOYSA-N -1 3 228.227 0.892 20 0 BCADHM COc1n[n-]c(NC(=O)C2(CF)CCC2)n1 ZINC000516972382 388516766 /nfs/dbraw/zinc/51/67/66/388516766.db2.gz BRROPFXQURUHAS-UHFFFAOYSA-N -1 3 228.227 0.892 20 0 BCADHM C[C@@H](CO)N(C)C(=O)c1cccc([O-])c1 ZINC000136121743 388523801 /nfs/dbraw/zinc/52/38/01/388523801.db2.gz IWLKCSUNLKQVDL-QMMMGPOBSA-N -1 3 209.245 0.845 20 0 BCADHM O=C(NCc1cccnn1)c1c([O-])cccc1O ZINC000219294735 388589969 /nfs/dbraw/zinc/58/99/69/388589969.db2.gz VNYCTEOUDNBCPV-UHFFFAOYSA-N -1 3 245.238 0.818 20 0 BCADHM O=C(NCC12CC(C1)CO2)c1cc(=O)[n-]cn1 ZINC000529870201 388594460 /nfs/dbraw/zinc/59/44/60/388594460.db2.gz WHZDHKPOIIQDEM-UHFFFAOYSA-N -1 3 235.243 0.091 20 0 BCADHM O=S(=O)([N-][C@H]1CCC[C@H]1F)C1COC1 ZINC000549989652 388596700 /nfs/dbraw/zinc/59/67/00/388596700.db2.gz RLEAIIGNTTXEFJ-SFYZADRCSA-N -1 3 223.269 0.195 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)C1CCC1 ZINC000550085204 388598301 /nfs/dbraw/zinc/59/83/01/388598301.db2.gz HUSVFFLRGWTQKO-UHFFFAOYSA-N -1 3 223.232 0.935 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)C1CCC1 ZINC000550085204 388598303 /nfs/dbraw/zinc/59/83/03/388598303.db2.gz HUSVFFLRGWTQKO-UHFFFAOYSA-N -1 3 223.232 0.935 20 0 BCADHM C[C@@H]1CCN(CCNC(=O)c2cncc([O-])c2)C1 ZINC000550273085 388604345 /nfs/dbraw/zinc/60/43/45/388604345.db2.gz HTCXGQDEJPMFJZ-SNVBAGLBSA-N -1 3 249.314 0.859 20 0 BCADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)C1CC1)C(=O)OC ZINC000360609556 388557912 /nfs/dbraw/zinc/55/79/12/388557912.db2.gz DQFSYGMUXGEIFQ-CBAPKCEASA-N -1 3 249.332 0.656 20 0 BCADHM [O-]c1cccnc1CN(CCO)CC1CC1 ZINC000520891694 388558951 /nfs/dbraw/zinc/55/89/51/388558951.db2.gz RVGWJZHPWXNBIR-UHFFFAOYSA-N -1 3 222.288 0.992 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)C(N)C(F)(F)F ZINC000521052358 388561197 /nfs/dbraw/zinc/56/11/97/388561197.db2.gz SKBDSCLTMWYBOF-ZCFIWIBFSA-N -1 3 242.197 0.199 20 0 BCADHM O=C([O-])C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000364024382 388564214 /nfs/dbraw/zinc/56/42/14/388564214.db2.gz YPRZBYMETJTCQO-JTQLQIEISA-N -1 3 240.303 0.548 20 0 BCADHM CC(=O)[N-]O[C@@H]1CCN(C2CCCCC2)C1=O ZINC000530159795 388616649 /nfs/dbraw/zinc/61/66/49/388616649.db2.gz JWRCJIAAIORUOS-LLVKDONJSA-N -1 3 240.303 0.988 20 0 BCADHM Cc1cnc(SCCc2c[nH]nn2)[n-]c1=O ZINC000522015704 388674831 /nfs/dbraw/zinc/67/48/31/388674831.db2.gz ZWNMYVBMLIFFDR-UHFFFAOYSA-N -1 3 237.288 0.944 20 0 BCADHM C[C@H](NCc1n[nH]c(=O)[n-]1)C1CCOCC1 ZINC000328601327 388645748 /nfs/dbraw/zinc/64/57/48/388645748.db2.gz FGRRZQQMQAGIPB-ZETCQYMHSA-N -1 3 226.280 0.415 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccoc1 ZINC000522254442 388735678 /nfs/dbraw/zinc/73/56/78/388735678.db2.gz CQHXJDBZILJMTE-VIFPVBQESA-N -1 3 235.243 0.521 20 0 BCADHM Cc1cc(C(=O)N[C@H](C)CC(N)=O)ccc1[O-] ZINC000227033788 388737746 /nfs/dbraw/zinc/73/77/46/388737746.db2.gz FYDOOWRMKFMGFG-MRVPVSSYSA-N -1 3 236.271 0.694 20 0 BCADHM CN(Cc1n[nH]c(=O)[n-]1)CC1CCOCC1 ZINC000539246228 388751576 /nfs/dbraw/zinc/75/15/76/388751576.db2.gz RILLIVDTODXBTK-UHFFFAOYSA-N -1 3 226.280 0.369 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CCCS1)c1c[nH]cn1 ZINC000087475828 388707304 /nfs/dbraw/zinc/70/73/04/388707304.db2.gz HQLKGSVNXXMVEY-ZETCQYMHSA-N -1 3 247.345 0.584 20 0 BCADHM CCOc1ncccc1CNC(=O)c1c[n-]nn1 ZINC000194158889 388725166 /nfs/dbraw/zinc/72/51/66/388725166.db2.gz NRSZCRGGTBUSAF-UHFFFAOYSA-N -1 3 247.258 0.528 20 0 BCADHM CCOc1ncccc1CNC(=O)c1cnn[n-]1 ZINC000194158889 388725169 /nfs/dbraw/zinc/72/51/69/388725169.db2.gz NRSZCRGGTBUSAF-UHFFFAOYSA-N -1 3 247.258 0.528 20 0 BCADHM CCOc1ncccc1CNC(=O)c1cn[n-]n1 ZINC000194158889 388725171 /nfs/dbraw/zinc/72/51/71/388725171.db2.gz NRSZCRGGTBUSAF-UHFFFAOYSA-N -1 3 247.258 0.528 20 0 BCADHM CSCCC(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225911713 388729591 /nfs/dbraw/zinc/72/95/91/388729591.db2.gz BNHPKZWADAOESE-UHFFFAOYSA-N -1 3 248.348 0.214 20 0 BCADHM O=C(NCc1nnc[nH]1)c1ccc([O-])cc1F ZINC000229785934 388799402 /nfs/dbraw/zinc/79/94/02/388799402.db2.gz HCEHTYCIFRAWKJ-UHFFFAOYSA-N -1 3 236.206 0.579 20 0 BCADHM C[C@H]1CN(c2ccncc2C(=O)[O-])CC[C@H]1O ZINC000253172498 388807069 /nfs/dbraw/zinc/80/70/69/388807069.db2.gz BLKAGTIDWHUCIW-GZMMTYOYSA-N -1 3 236.271 0.987 20 0 BCADHM CCC[C@H](O)CN1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000564218928 388761929 /nfs/dbraw/zinc/76/19/29/388761929.db2.gz NIMWNUFFKFHQPJ-IVZWLZJFSA-N -1 3 231.292 0.321 20 0 BCADHM CCc1ncncc1C(=O)Nc1nnc(OC)[n-]1 ZINC000540914223 388826483 /nfs/dbraw/zinc/82/64/83/388826483.db2.gz MYYYVNNRPBPVQJ-UHFFFAOYSA-N -1 3 248.246 0.418 20 0 BCADHM CCc1ncncc1C(=O)Nc1n[n-]c(OC)n1 ZINC000540914223 388826485 /nfs/dbraw/zinc/82/64/85/388826485.db2.gz MYYYVNNRPBPVQJ-UHFFFAOYSA-N -1 3 248.246 0.418 20 0 BCADHM CCc1ncncc1C(=O)Nc1nc(OC)n[n-]1 ZINC000540914223 388826486 /nfs/dbraw/zinc/82/64/86/388826486.db2.gz MYYYVNNRPBPVQJ-UHFFFAOYSA-N -1 3 248.246 0.418 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CC=CCC1 ZINC000523688361 388853082 /nfs/dbraw/zinc/85/30/82/388853082.db2.gz SMJZJIMPCPHJTB-MNOVXSKESA-N -1 3 249.314 0.971 20 0 BCADHM Cn1cncc1CCN=c1ncnc2[nH][n-]cc1-2 ZINC000541579179 388858280 /nfs/dbraw/zinc/85/82/80/388858280.db2.gz YQLMSXLYCZGXPA-UHFFFAOYSA-N -1 3 243.274 0.115 20 0 BCADHM O=C(NCc1ncc[nH]1)c1cccc2nn[n-]c21 ZINC000541891894 388873698 /nfs/dbraw/zinc/87/36/98/388873698.db2.gz PCGMLKSINBOWFU-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM O=C(NCc1ncc[nH]1)c1cccc2[n-]nnc21 ZINC000541891894 388873702 /nfs/dbraw/zinc/87/37/02/388873702.db2.gz PCGMLKSINBOWFU-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM O=C(NCc1ncc[nH]1)c1cccc2n[n-]nc21 ZINC000541891894 388873704 /nfs/dbraw/zinc/87/37/04/388873704.db2.gz PCGMLKSINBOWFU-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM C[C@H]1C(=O)N(C)CN1C(=O)c1csc(=O)[n-]1 ZINC000649158478 388883764 /nfs/dbraw/zinc/88/37/64/388883764.db2.gz UFJKHHRLYDHHGA-YFKPBYRVSA-N -1 3 241.272 0.109 20 0 BCADHM O=C([O-])c1cnccc1NCCC1CC(O)C1 ZINC000564800542 388890254 /nfs/dbraw/zinc/89/02/54/388890254.db2.gz KFYTYONFEZFYKO-UHFFFAOYSA-N -1 3 236.271 0.775 20 0 BCADHM CNC(=O)CCCN(C)Cc1ncccc1[O-] ZINC000565682087 388961360 /nfs/dbraw/zinc/96/13/60/388961360.db2.gz AQDJZKVETWPRFZ-UHFFFAOYSA-N -1 3 237.303 0.745 20 0 BCADHM [O-]c1cccnc1CN1CCC[C@@H](CO)C1 ZINC000565590799 388955278 /nfs/dbraw/zinc/95/52/78/388955278.db2.gz GQHXTOIWKJQNAF-SNVBAGLBSA-N -1 3 222.288 0.992 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H]2CC(=O)N(C)C2)n1 ZINC000264025592 388991968 /nfs/dbraw/zinc/99/19/68/388991968.db2.gz BCAGFFPEFDGOKX-SECBINFHSA-N -1 3 235.287 0.416 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2CC(=O)N(C)C2)n1 ZINC000264025593 388992151 /nfs/dbraw/zinc/99/21/51/388992151.db2.gz BCAGFFPEFDGOKX-VIFPVBQESA-N -1 3 235.287 0.416 20 0 BCADHM O=C(c1cncc([O-])c1)N1CCc2n[nH]cc2C1 ZINC000264895651 388992746 /nfs/dbraw/zinc/99/27/46/388992746.db2.gz WGBYDEOGKBAHOS-UHFFFAOYSA-N -1 3 244.254 0.709 20 0 BCADHM Cc1nncn1CCNC(=O)c1cccc([O-])c1 ZINC000272711584 389033682 /nfs/dbraw/zinc/03/36/82/389033682.db2.gz DWSAARYXEFPJKG-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM CC[C@H]1CN(c2nc3nncc-3c(O)[n-]2)CCO1 ZINC000274674150 132203513 /nfs/dbraw/zinc/20/35/13/132203513.db2.gz MDYZVZXJDGQQHM-ZETCQYMHSA-N -1 3 249.274 0.674 20 0 BCADHM CC1CCN(c2nc3nncc-3c(O)[n-]2)CC1 ZINC000106462050 132267286 /nfs/dbraw/zinc/26/72/86/132267286.db2.gz CIDKYHNIAYLEDF-UHFFFAOYSA-N -1 3 233.275 0.883 20 0 BCADHM CC(=O)N1CC(NC(=O)c2ccc([O-])c(C)c2)C1 ZINC000335968434 134028957 /nfs/dbraw/zinc/02/89/57/134028957.db2.gz PEFBBPOLFQBLJB-UHFFFAOYSA-N -1 3 248.282 0.661 20 0 BCADHM O=C(NCC1(C(F)F)CC1)c1c[n-]nn1 ZINC000352140666 134081924 /nfs/dbraw/zinc/08/19/24/134081924.db2.gz MRKYQCXJCUFOCN-UHFFFAOYSA-N -1 3 216.191 0.580 20 0 BCADHM O=C(NCC1(C(F)F)CC1)c1cnn[n-]1 ZINC000352140666 134081925 /nfs/dbraw/zinc/08/19/25/134081925.db2.gz MRKYQCXJCUFOCN-UHFFFAOYSA-N -1 3 216.191 0.580 20 0 BCADHM O=C(NCC1(C(F)F)CC1)c1cn[n-]n1 ZINC000352140666 134081926 /nfs/dbraw/zinc/08/19/26/134081926.db2.gz MRKYQCXJCUFOCN-UHFFFAOYSA-N -1 3 216.191 0.580 20 0 BCADHM Cn1[n-]c(CN2C[C@@H]3CCC[C@@H]3C2)nc1=O ZINC000336627687 134152116 /nfs/dbraw/zinc/15/21/16/134152116.db2.gz WVQLTZYBDFJDNR-DTORHVGOSA-N -1 3 222.292 0.340 20 0 BCADHM O=C(NCC(F)F)c1ccc2n[n-]nc2c1 ZINC000174573691 134282954 /nfs/dbraw/zinc/28/29/54/134282954.db2.gz RVPYUDQFFOXDKD-UHFFFAOYSA-N -1 3 226.186 0.953 20 0 BCADHM COc1nnc(NC(=O)c2c[nH]c(C)cc2=O)[n-]1 ZINC000226559877 134366274 /nfs/dbraw/zinc/36/62/74/134366274.db2.gz DTHMMLLFMKDZAQ-UHFFFAOYSA-N -1 3 249.230 0.062 20 0 BCADHM COc1nc(NC(=O)c2c[nH]c(C)cc2=O)n[n-]1 ZINC000226559877 134366275 /nfs/dbraw/zinc/36/62/75/134366275.db2.gz DTHMMLLFMKDZAQ-UHFFFAOYSA-N -1 3 249.230 0.062 20 0 BCADHM COc1n[n-]c(NC(=O)c2c[nH]c(C)cc2=O)n1 ZINC000226559877 134366276 /nfs/dbraw/zinc/36/62/76/134366276.db2.gz DTHMMLLFMKDZAQ-UHFFFAOYSA-N -1 3 249.230 0.062 20 0 BCADHM CCC1(C[N-]S(=O)(=O)c2c[nH]cn2)CC1 ZINC000226824477 134369994 /nfs/dbraw/zinc/36/99/94/134369994.db2.gz JQLWDZUJMNVLQE-UHFFFAOYSA-N -1 3 229.305 0.878 20 0 BCADHM COC1(C[N-]S(=O)(=O)c2c[nH]cn2)CCC1 ZINC000227310215 134377675 /nfs/dbraw/zinc/37/76/75/134377675.db2.gz BZQMZHCDUSEKJD-UHFFFAOYSA-N -1 3 245.304 0.257 20 0 BCADHM CCN(CC)CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000159908636 134793929 /nfs/dbraw/zinc/79/39/29/134793929.db2.gz IWHFDVJWBZLEGV-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM CC[C@H](C(=O)N(C)CC(=O)[O-])N(CC)CC ZINC000261595770 135235746 /nfs/dbraw/zinc/23/57/46/135235746.db2.gz YLDRLVPAXRAODH-SECBINFHSA-N -1 3 230.308 0.650 20 0 BCADHM COC(=O)[C@H]([N-]S(=O)(=O)CC(C)C)C1CC1 ZINC000342291044 135256501 /nfs/dbraw/zinc/25/65/01/135256501.db2.gz LIEZDKXNRZQRPY-SECBINFHSA-N -1 3 249.332 0.513 20 0 BCADHM CC(C)[C@@H]1CCCN1CC(=O)NCC(=O)[O-] ZINC000262196018 135285232 /nfs/dbraw/zinc/28/52/32/135285232.db2.gz HIDRORNJWLUPRI-VIFPVBQESA-N -1 3 228.292 0.308 20 0 BCADHM CC[C@H]1C[C@@H](C)CN1CC(=O)NCC(=O)[O-] ZINC000262239862 135287040 /nfs/dbraw/zinc/28/70/40/135287040.db2.gz OMMOHOQSBNDUGW-BDAKNGLRSA-N -1 3 228.292 0.308 20 0 BCADHM CCC[C@H]1CCCN(CC(=O)NCC(=O)[O-])C1 ZINC000262253389 135287880 /nfs/dbraw/zinc/28/78/80/135287880.db2.gz QXQDSKLUUDOYHQ-JTQLQIEISA-N -1 3 242.319 0.699 20 0 BCADHM C[C@H]1CCCN(CC(=O)NCC(=O)[O-])[C@H]1C ZINC000262208330 135289700 /nfs/dbraw/zinc/28/97/00/135289700.db2.gz JHMNDULQKDQACE-IUCAKERBSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCC(=O)[O-] ZINC000262744859 135316669 /nfs/dbraw/zinc/31/66/69/135316669.db2.gz KBMSTZNQSHIJND-NXEZZACHSA-N -1 3 242.319 0.840 20 0 BCADHM COC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000334278223 135333205 /nfs/dbraw/zinc/33/32/05/135333205.db2.gz DUACXZWQBGNLSN-GFCCVEGCSA-N -1 3 248.238 0.528 20 0 BCADHM C[C@@H]1CC[C@@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000334405703 135393765 /nfs/dbraw/zinc/39/37/65/135393765.db2.gz QDLDSNNUBXQLOA-SVRRBLITSA-N -1 3 237.259 0.014 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@H]2CCC2(C)C)n1 ZINC000335387569 136089211 /nfs/dbraw/zinc/08/92/11/136089211.db2.gz HAPUOTPLMXWOIG-QMMMGPOBSA-N -1 3 243.332 0.887 20 0 BCADHM CCN(CC)CCNS(=O)(=O)c1ncc[n-]1 ZINC000309253035 397854669 /nfs/dbraw/zinc/85/46/69/397854669.db2.gz NOMJETZFRUTMEG-UHFFFAOYSA-N -1 3 246.336 0.030 20 0 BCADHM CC(=O)N1CC[C@H](C(=O)Nc2ccncc2[O-])C1 ZINC000408163406 397957567 /nfs/dbraw/zinc/95/75/67/397957567.db2.gz DLNAARLOZIJIEM-VIFPVBQESA-N -1 3 249.270 0.016 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@@H]1CCC(C)(C)O1 ZINC000278267205 398037206 /nfs/dbraw/zinc/03/72/06/398037206.db2.gz ALWFYSVRROVEAF-ZETCQYMHSA-N -1 3 224.264 0.711 20 0 BCADHM CCN(Cc1nc(C)ccc1[O-])[C@H]1CCNC1=O ZINC000281835610 398065274 /nfs/dbraw/zinc/06/52/74/398065274.db2.gz SJWMMFBZSWJVFF-NSHDSACASA-N -1 3 249.314 0.806 20 0 BCADHM Cn1ncnc1CNCc1ccc([O-])c(F)c1 ZINC000389308749 398069920 /nfs/dbraw/zinc/06/99/20/398069920.db2.gz PZHDYEFKOYJSRO-UHFFFAOYSA-N -1 3 236.250 0.950 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2COC(=O)N2)n1 ZINC000283270922 398070868 /nfs/dbraw/zinc/07/08/68/398070868.db2.gz NIMWAOLMNVCCII-ZCFIWIBFSA-N -1 3 237.215 0.143 20 0 BCADHM O=C(NCCc1nccs1)c1c[n-]nn1 ZINC000050772598 398119710 /nfs/dbraw/zinc/11/97/10/398119710.db2.gz RRKVOGQRXIZHBH-UHFFFAOYSA-N -1 3 223.261 0.234 20 0 BCADHM O=C(NCCc1nccs1)c1cnn[n-]1 ZINC000050772598 398119715 /nfs/dbraw/zinc/11/97/15/398119715.db2.gz RRKVOGQRXIZHBH-UHFFFAOYSA-N -1 3 223.261 0.234 20 0 BCADHM O=C(NCCc1nccs1)c1cn[n-]n1 ZINC000050772598 398119717 /nfs/dbraw/zinc/11/97/17/398119717.db2.gz RRKVOGQRXIZHBH-UHFFFAOYSA-N -1 3 223.261 0.234 20 0 BCADHM CC(C)NC(=O)C[N-]S(=O)(=O)c1ccco1 ZINC000188572902 167057532 /nfs/dbraw/zinc/05/75/32/167057532.db2.gz UEXQWLMCQYNMCJ-UHFFFAOYSA-N -1 3 246.288 0.083 20 0 BCADHM CC(C)NS(=O)(=O)[N-]CC(F)F ZINC000308130728 167125734 /nfs/dbraw/zinc/12/57/34/167125734.db2.gz XGGLZLJNKJBGBB-UHFFFAOYSA-N -1 3 202.226 0.084 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000530896990 322898028 /nfs/dbraw/zinc/89/80/28/322898028.db2.gz GWBFQAFCBYCXGA-ZNSHCXBVSA-N -1 3 249.314 0.661 20 0 BCADHM CCOc1nc(C(=O)Nc2ccncc2[O-])co1 ZINC000680370644 487575905 /nfs/dbraw/zinc/57/59/05/487575905.db2.gz JCFIEVVFCYGGGS-UHFFFAOYSA-N -1 3 249.226 0.848 20 0 BCADHM C[S@](=O)CCCNC(=O)c1ccccc1[O-] ZINC000109917058 322907157 /nfs/dbraw/zinc/90/71/57/322907157.db2.gz ZUESDSWVENJCNN-MRXNPFEDSA-N -1 3 241.312 0.891 20 0 BCADHM CC(C)[C@H]([N-]S(C)(=O)=O)[C@H](O)C(F)(F)F ZINC000670855263 487594133 /nfs/dbraw/zinc/59/41/33/487594133.db2.gz HJCKQUYMBVHVTH-WDSKDSINSA-N -1 3 249.254 0.483 20 0 BCADHM Cc1cc(Sc2n[n-]c(CO)n2)nc(C)n1 ZINC000530352120 487595798 /nfs/dbraw/zinc/59/57/98/487595798.db2.gz IAINFQQKEITOHM-UHFFFAOYSA-N -1 3 237.288 0.855 20 0 BCADHM c1cnc(SCCc2nnn[n-]2)nc1 ZINC000095187773 487601366 /nfs/dbraw/zinc/60/13/66/487601366.db2.gz IVKQZDROBAQETB-UHFFFAOYSA-N -1 3 208.250 0.325 20 0 BCADHM c1cnc(SCCc2nn[n-]n2)nc1 ZINC000095187773 487601369 /nfs/dbraw/zinc/60/13/69/487601369.db2.gz IVKQZDROBAQETB-UHFFFAOYSA-N -1 3 208.250 0.325 20 0 BCADHM Cc1cnc(CCNC(=O)c2c[n-]nn2)c(C)c1 ZINC000655250427 409752480 /nfs/dbraw/zinc/75/24/80/409752480.db2.gz SZOZDAMISCQKAW-UHFFFAOYSA-N -1 3 245.286 0.789 20 0 BCADHM Cc1cnc(CCNC(=O)c2cnn[n-]2)c(C)c1 ZINC000655250427 409752489 /nfs/dbraw/zinc/75/24/89/409752489.db2.gz SZOZDAMISCQKAW-UHFFFAOYSA-N -1 3 245.286 0.789 20 0 BCADHM Cc1cnc(CCNC(=O)c2cn[n-]n2)c(C)c1 ZINC000655250427 409752500 /nfs/dbraw/zinc/75/25/00/409752500.db2.gz SZOZDAMISCQKAW-UHFFFAOYSA-N -1 3 245.286 0.789 20 0 BCADHM O=C(C[C@@H]1NCc2ccccc21)Nc1nnn[n-]1 ZINC000662437521 409718047 /nfs/dbraw/zinc/71/80/47/409718047.db2.gz RYMONYSFSIBTAV-VIFPVBQESA-N -1 3 244.258 0.373 20 0 BCADHM O=C(C[C@@H]1NCc2ccccc21)Nc1nn[n-]n1 ZINC000662437521 409718056 /nfs/dbraw/zinc/71/80/56/409718056.db2.gz RYMONYSFSIBTAV-VIFPVBQESA-N -1 3 244.258 0.373 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)CC1(C)COC1 ZINC000660844588 409843100 /nfs/dbraw/zinc/84/31/00/409843100.db2.gz QBSWVMRDQQVKLU-UHFFFAOYSA-N -1 3 213.237 0.244 20 0 BCADHM CC[C@@H](NC(=O)c1c[n-]nn1)[C@H]1CCCCO1 ZINC000655344830 409919917 /nfs/dbraw/zinc/91/99/17/409919917.db2.gz NVVXJCBAMWZAOT-PSASIEDQSA-N -1 3 238.291 0.882 20 0 BCADHM CC[C@@H](NC(=O)c1cnn[n-]1)[C@H]1CCCCO1 ZINC000655344830 409919924 /nfs/dbraw/zinc/91/99/24/409919924.db2.gz NVVXJCBAMWZAOT-PSASIEDQSA-N -1 3 238.291 0.882 20 0 BCADHM CC[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CCCCO1 ZINC000655344830 409919930 /nfs/dbraw/zinc/91/99/30/409919930.db2.gz NVVXJCBAMWZAOT-PSASIEDQSA-N -1 3 238.291 0.882 20 0 BCADHM C[C@@H](Cc1ccccn1)NC(=O)c1c[n-]nn1 ZINC000655309548 409884727 /nfs/dbraw/zinc/88/47/27/409884727.db2.gz QUSNAGSSEWTKQR-QMMMGPOBSA-N -1 3 231.259 0.561 20 0 BCADHM C[C@@H](Cc1ccccn1)NC(=O)c1cnn[n-]1 ZINC000655309548 409884732 /nfs/dbraw/zinc/88/47/32/409884732.db2.gz QUSNAGSSEWTKQR-QMMMGPOBSA-N -1 3 231.259 0.561 20 0 BCADHM C[C@@H](Cc1ccccn1)NC(=O)c1cn[n-]n1 ZINC000655309548 409884740 /nfs/dbraw/zinc/88/47/40/409884740.db2.gz QUSNAGSSEWTKQR-QMMMGPOBSA-N -1 3 231.259 0.561 20 0 BCADHM CC(C)(C)CN(CC(=O)[O-])C(=O)CNC1CC1 ZINC000663282238 410095904 /nfs/dbraw/zinc/09/59/04/410095904.db2.gz WMCAUMAUENFVJH-UHFFFAOYSA-N -1 3 242.319 0.698 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCC[C@@H](O)C1 ZINC000655385908 410192229 /nfs/dbraw/zinc/19/22/29/410192229.db2.gz DRZWODSYDANIDD-SNVBAGLBSA-N -1 3 236.271 0.313 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@H]1CCOC1 ZINC000655393618 410197447 /nfs/dbraw/zinc/19/74/47/410197447.db2.gz NMBMWXKTRRIGGL-VIFPVBQESA-N -1 3 222.244 0.235 20 0 BCADHM C[C@@H]1CN(C(=O)Cc2cncc([O-])c2)C[C@@H]1O ZINC000655393794 410198343 /nfs/dbraw/zinc/19/83/43/410198343.db2.gz WPXILKMKIJYURZ-KCJUWKMLSA-N -1 3 236.271 0.169 20 0 BCADHM CC(C)(C)n1cnc([N-]C(=O)c2nc[nH]n2)n1 ZINC000541527708 410844859 /nfs/dbraw/zinc/84/48/59/410844859.db2.gz HKMXXLOUUHYRTC-UHFFFAOYSA-N -1 3 235.251 0.404 20 0 BCADHM CC(C)OC(=O)CCCNC(=O)c1c[n-]nn1 ZINC000185191879 167154436 /nfs/dbraw/zinc/15/44/36/167154436.db2.gz ZIQFEVOBSPFVQV-UHFFFAOYSA-N -1 3 240.263 0.266 20 0 BCADHM CC(C)OC(=O)CCCNC(=O)c1cnn[n-]1 ZINC000185191879 167154437 /nfs/dbraw/zinc/15/44/37/167154437.db2.gz ZIQFEVOBSPFVQV-UHFFFAOYSA-N -1 3 240.263 0.266 20 0 BCADHM CC(C)OC(=O)CCCNC(=O)c1cn[n-]n1 ZINC000185191879 167154441 /nfs/dbraw/zinc/15/44/41/167154441.db2.gz ZIQFEVOBSPFVQV-UHFFFAOYSA-N -1 3 240.263 0.266 20 0 BCADHM CC(C)C[C@H](NC(=O)[C@H](N)C1CCC1)C(=O)[O-] ZINC000399149579 411019209 /nfs/dbraw/zinc/01/92/09/411019209.db2.gz YLFWSSFRQIMDQW-VHSXEESVSA-N -1 3 242.319 0.729 20 0 BCADHM COC(=O)c1ccc(C[N-]c2nnco2)o1 ZINC000336767594 411167953 /nfs/dbraw/zinc/16/79/53/411167953.db2.gz PSIJDRJBENWSKN-UHFFFAOYSA-N -1 3 223.188 1.061 20 0 BCADHM O=C(NC1COCCOC1)c1ccccc1[O-] ZINC000310556823 411242504 /nfs/dbraw/zinc/24/25/04/411242504.db2.gz IOIYEAJQBWMVFE-UHFFFAOYSA-N -1 3 237.255 0.537 20 0 BCADHM C[C@@H]1C[C@@H](Nc2ccncc2C(=O)[O-])CO1 ZINC000401926763 411175017 /nfs/dbraw/zinc/17/50/17/411175017.db2.gz IJNLQQJXPWQEBD-HTQZYQBOSA-N -1 3 222.244 0.791 20 0 BCADHM CC[C@@H]1CN(C[C@@](C)(O)C(=O)[O-])[C@H](CC)CO1 ZINC000403904010 411181709 /nfs/dbraw/zinc/18/17/09/411181709.db2.gz WHXIXQHPQRZNFL-CKYFFXLPSA-N -1 3 245.319 0.711 20 0 BCADHM O=S(=O)(CC1CC1)[N-]C[C@H](O)C(F)(F)F ZINC000228543352 411184443 /nfs/dbraw/zinc/18/44/43/411184443.db2.gz NLEYYWSHJTXICW-LURJTMIESA-N -1 3 247.238 0.239 20 0 BCADHM COc1cccc(S(=O)(=O)[N-]CCO)c1F ZINC000655516115 411185242 /nfs/dbraw/zinc/18/52/42/411185242.db2.gz UXWCGCLXFWUEDH-UHFFFAOYSA-N -1 3 249.263 0.105 20 0 BCADHM COc1ccc(C(=O)[N-]c2nc(C)n(C)n2)o1 ZINC000653844861 411197779 /nfs/dbraw/zinc/19/77/79/411197779.db2.gz IZLNSTAAIYYLNH-UHFFFAOYSA-N -1 3 236.231 0.977 20 0 BCADHM CC[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCCO1 ZINC000653875686 411205940 /nfs/dbraw/zinc/20/59/40/411205940.db2.gz YIFROCNYFJAFEH-DTWKUNHWSA-N -1 3 240.307 0.948 20 0 BCADHM O=S(=O)([N-]CCOCCF)c1ccco1 ZINC000660173995 411280628 /nfs/dbraw/zinc/28/06/28/411280628.db2.gz JMAJNKXMJFLOOY-UHFFFAOYSA-N -1 3 237.252 0.544 20 0 BCADHM O=S(=O)([N-]C1CC(CO)C1)c1ccco1 ZINC000660145888 411260703 /nfs/dbraw/zinc/26/07/03/411260703.db2.gz FOHUJXFDHBVKRN-UHFFFAOYSA-N -1 3 231.273 0.329 20 0 BCADHM C[C@@H]1CN(CC2CCC2)C[C@H](C(=O)[O-])O1 ZINC000652508919 411261183 /nfs/dbraw/zinc/26/11/83/411261183.db2.gz NWDDPGVQPCSLFE-PSASIEDQSA-N -1 3 213.277 0.960 20 0 BCADHM CC/C=C/CNC(=O)N=c1cc(OC)n(C)[n-]1 ZINC000652952199 411352248 /nfs/dbraw/zinc/35/22/48/411352248.db2.gz KIMPWOBUGYSXPK-AATRIKPKSA-N -1 3 238.291 0.938 20 0 BCADHM CC[C@@H]1CN(C[C@](C)(O)C(=O)[O-])[C@H](CC)CO1 ZINC000403904198 411365308 /nfs/dbraw/zinc/36/53/08/411365308.db2.gz WHXIXQHPQRZNFL-FOGDFJRCSA-N -1 3 245.319 0.711 20 0 BCADHM O=C([O-])C12CC(C1)CN2CCO[C@@H]1CC1(F)F ZINC000656761049 411344568 /nfs/dbraw/zinc/34/45/68/411344568.db2.gz LEPZVPHGHBYVRE-CCNFQMFXSA-N -1 3 247.241 0.960 20 0 BCADHM CCS(=O)(=O)[N-]c1ccc2c(n1)OCCO2 ZINC000656741526 411344894 /nfs/dbraw/zinc/34/48/94/411344894.db2.gz PTQSGSYGYANTEW-UHFFFAOYSA-N -1 3 244.272 0.614 20 0 BCADHM CC1(F)CC([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000336304082 168052513 /nfs/dbraw/zinc/05/25/13/168052513.db2.gz OTGRRYTWXGXWAM-UHFFFAOYSA-N -1 3 233.268 0.579 20 0 BCADHM C[C@H]1CCCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662200371 411376295 /nfs/dbraw/zinc/37/62/95/411376295.db2.gz HUKWIZNVUXMECG-UWVGGRQHSA-N -1 3 240.303 0.546 20 0 BCADHM CCC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331099648 168234360 /nfs/dbraw/zinc/23/43/60/168234360.db2.gz ASRICDJTDBCLCQ-UHFFFAOYSA-N -1 3 222.170 0.850 20 0 BCADHM CCC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331099648 168234361 /nfs/dbraw/zinc/23/43/61/168234361.db2.gz ASRICDJTDBCLCQ-UHFFFAOYSA-N -1 3 222.170 0.850 20 0 BCADHM CCC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331099648 168234362 /nfs/dbraw/zinc/23/43/62/168234362.db2.gz ASRICDJTDBCLCQ-UHFFFAOYSA-N -1 3 222.170 0.850 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)C(N)C(F)(F)F ZINC000656855929 411385279 /nfs/dbraw/zinc/38/52/79/411385279.db2.gz VFMLUXXZUSUVAQ-WHFBIAKZSA-N -1 3 242.197 0.198 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)C(N)C(F)(F)F ZINC000656855926 411385960 /nfs/dbraw/zinc/38/59/60/411385960.db2.gz VFMLUXXZUSUVAQ-CRCLSJGQSA-N -1 3 242.197 0.198 20 0 BCADHM CCC(C)(C)N(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000265465285 168283729 /nfs/dbraw/zinc/28/37/29/168283729.db2.gz CTPMZLFGBQKMQX-UHFFFAOYSA-N -1 3 241.291 0.185 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-]C/C=C\CO)s1 ZINC000657085720 411404143 /nfs/dbraw/zinc/40/41/43/411404143.db2.gz WEHOEMVSQFOGPH-IHWYPQMZSA-N -1 3 248.329 0.278 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]C/C=C\CO ZINC000657086678 411404480 /nfs/dbraw/zinc/40/44/80/411404480.db2.gz TVDJOXCPZHNVEI-ARJAWSKDSA-N -1 3 246.288 0.118 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CCC(C)(C)F)c1 ZINC000657141751 411409789 /nfs/dbraw/zinc/40/97/89/411409789.db2.gz ONDJYHKVNZIQLI-UHFFFAOYSA-N -1 3 249.311 0.837 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC[C@H](OC)C2)n1 ZINC000268205468 411421809 /nfs/dbraw/zinc/42/18/09/411421809.db2.gz ISVDJFIRPYBKGD-JTQLQIEISA-N -1 3 237.303 0.965 20 0 BCADHM Cc1csc(S(=O)(=O)[N-]C2(CO)CC2)c1 ZINC000659934509 411503074 /nfs/dbraw/zinc/50/30/74/411503074.db2.gz CGHUKTSBGPBCIV-UHFFFAOYSA-N -1 3 247.341 0.860 20 0 BCADHM CC[C@H](C(=O)NC[C@H](C)C(=O)[O-])N(CC)CC ZINC000655559986 411507675 /nfs/dbraw/zinc/50/76/75/411507675.db2.gz GSQCKQLNCISRNC-VHSXEESVSA-N -1 3 244.335 0.944 20 0 BCADHM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000335876657 170012918 /nfs/dbraw/zinc/01/29/18/170012918.db2.gz WKFPIOUOWADZCS-SECBINFHSA-N -1 3 244.316 0.652 20 0 BCADHM CCNC(=O)CNC(=O)c1ccc(C)cc1[O-] ZINC000035141151 170063815 /nfs/dbraw/zinc/06/38/15/170063815.db2.gz SPIKGWCAXKTGLB-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM CCNC(=O)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000041998444 170087186 /nfs/dbraw/zinc/08/71/86/170087186.db2.gz UBPIFIUCMGCZDD-MRVPVSSYSA-N -1 3 236.271 0.647 20 0 BCADHM CCOC(=O)C1(C(=O)[N-]C2=NCCS2)CC1 ZINC000266808901 170188828 /nfs/dbraw/zinc/18/88/28/170188828.db2.gz IFDCRQQPJVEBJA-UHFFFAOYSA-N -1 3 242.300 0.549 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)CC1CCC1 ZINC000120908757 170226280 /nfs/dbraw/zinc/22/62/80/170226280.db2.gz KWFPIAFKDMYDCN-UHFFFAOYSA-N -1 3 235.305 0.269 20 0 BCADHM CCOC(=O)c1cnc([N-]C(=O)C(F)F)n1C ZINC000290746925 170301736 /nfs/dbraw/zinc/30/17/36/170301736.db2.gz NGYNTNBWWCFGAI-UHFFFAOYSA-N -1 3 247.201 0.800 20 0 BCADHM CCOC1CN(C(=O)c2csc(=O)[n-]2)C1 ZINC000329340128 170336313 /nfs/dbraw/zinc/33/63/13/170336313.db2.gz RITPMXPMSCTPAY-UHFFFAOYSA-N -1 3 228.273 0.710 20 0 BCADHM CCOCCCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000121714220 170369873 /nfs/dbraw/zinc/36/98/73/170369873.db2.gz JWVYQCJJXPKGGB-UHFFFAOYSA-N -1 3 247.320 0.505 20 0 BCADHM CCO[N-]C(=O)Cc1ccc(C(N)=O)cc1 ZINC000277081134 170461690 /nfs/dbraw/zinc/46/16/90/170461690.db2.gz FTAJCJQZITWJLP-UHFFFAOYSA-N -1 3 222.244 0.396 20 0 BCADHM CN(CCCn1ccnc1)Cc1n[n-]c(=O)o1 ZINC000660847453 411658146 /nfs/dbraw/zinc/65/81/46/411658146.db2.gz QPRVDEGPULXITN-UHFFFAOYSA-N -1 3 237.263 0.494 20 0 BCADHM CO[C@H](C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647798637 411674343 /nfs/dbraw/zinc/67/43/43/411674343.db2.gz LRVCCAPBRCJIHM-ZCFIWIBFSA-N -1 3 235.243 1.242 20 0 BCADHM O=c1[nH][n-]cc1CCCNc1ncc(F)cn1 ZINC000631361903 411675662 /nfs/dbraw/zinc/67/56/62/411675662.db2.gz NRDXLCIGVBZLSS-SSDOTTSWSA-N -1 3 237.238 0.540 20 0 BCADHM OC[C@H]1C=C[C@@H]([N-]c2nnc(C(F)F)o2)C1 ZINC000329212269 411690063 /nfs/dbraw/zinc/69/00/63/411690063.db2.gz ZUBUPKOFMQURLL-NTSWFWBYSA-N -1 3 231.202 1.356 20 0 BCADHM Cc1ccc([O-])c(CN2CCOC3(CNC3)C2)n1 ZINC000663511189 411691570 /nfs/dbraw/zinc/69/15/70/411691570.db2.gz BHHVWQWVWQKPMF-UHFFFAOYSA-N -1 3 249.314 0.270 20 0 BCADHM COCc1nnc(Sc2cnccn2)[n-]1 ZINC000663718956 411731890 /nfs/dbraw/zinc/73/18/90/411731890.db2.gz IKMGJNGXORMUNY-UHFFFAOYSA-N -1 3 223.261 0.892 20 0 BCADHM COCc1nc(Sc2cnccn2)n[n-]1 ZINC000663718956 411731893 /nfs/dbraw/zinc/73/18/93/411731893.db2.gz IKMGJNGXORMUNY-UHFFFAOYSA-N -1 3 223.261 0.892 20 0 BCADHM Cc1cnc(C)nc1NCc1cnc(C)[n-]c1=O ZINC000563427099 411738853 /nfs/dbraw/zinc/73/88/53/411738853.db2.gz QSGLTLXGRFBPRS-UHFFFAOYSA-N -1 3 245.286 1.510 20 0 BCADHM COc1ccccc1[C@@H](CO)[N-]c1nnc(C)o1 ZINC000553100522 411762696 /nfs/dbraw/zinc/76/26/96/411762696.db2.gz KZEBLHNOQKTDKL-SNVBAGLBSA-N -1 3 249.270 1.532 20 0 BCADHM CCc1cc(NCCCc2c[n-][nH]c2=O)ncn1 ZINC000631360626 411768440 /nfs/dbraw/zinc/76/84/40/411768440.db2.gz FWQBNXKBTGIXMQ-SECBINFHSA-N -1 3 247.302 0.963 20 0 BCADHM C[C@H](O)CCSc1nc2nncc-2c(O)[n-]1 ZINC000663944163 411784423 /nfs/dbraw/zinc/78/44/23/411784423.db2.gz CFSWMHCJPPHQOG-YFKPBYRVSA-N -1 3 240.288 0.922 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1cc(C)no1 ZINC000330636988 411815063 /nfs/dbraw/zinc/81/50/63/411815063.db2.gz NQQBJOLXXWOOEC-UHFFFAOYSA-N -1 3 221.220 0.847 20 0 BCADHM CCn1ncnc1C[N-]c1nnc(C2CC2)o1 ZINC000343071975 411825176 /nfs/dbraw/zinc/82/51/76/411825176.db2.gz RLLDWIXDEZSRFV-UHFFFAOYSA-N -1 3 234.263 1.171 20 0 BCADHM CC[C@H](N=c1nc2[nH][n-]cc-2c(N)n1)C(C)C ZINC000354506913 411886791 /nfs/dbraw/zinc/88/67/91/411886791.db2.gz LNZLUOPOORLAHU-QMMMGPOBSA-N -1 3 234.307 1.155 20 0 BCADHM CC(F)(F)CCN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000450549761 411888364 /nfs/dbraw/zinc/88/83/64/411888364.db2.gz ANQBGZJWBANITO-UHFFFAOYSA-N -1 3 242.233 0.766 20 0 BCADHM CO[C@@H]1CCC[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000574841823 411897103 /nfs/dbraw/zinc/89/71/03/411897103.db2.gz XQDJOSPFERKPLA-HTQZYQBOSA-N -1 3 248.290 0.288 20 0 BCADHM C[C@@H]1CC[C@@H](CN=c2nc3[nH][n-]cc-3c(N)n2)O1 ZINC000583130806 411907728 /nfs/dbraw/zinc/90/77/28/411907728.db2.gz DONRKZSHQAWCSA-RQJHMYQMSA-N -1 3 248.290 0.288 20 0 BCADHM Nc1nc(=NC(C2CC2)C2CC2)nc2[nH][n-]cc1-2 ZINC000546898877 411921754 /nfs/dbraw/zinc/92/17/54/411921754.db2.gz AJGKJSJLFIOHDN-UHFFFAOYSA-N -1 3 244.302 0.909 20 0 BCADHM Nc1nc(=N[C@H]2CC=CCC2)nc2[nH][n-]cc1-2 ZINC000545475129 411924511 /nfs/dbraw/zinc/92/45/11/411924511.db2.gz VRJFCARAUQNGQJ-ZETCQYMHSA-N -1 3 230.275 0.829 20 0 BCADHM Nc1nc(=NC[C@@H]2CC=CCC2)nc2[nH][n-]cc1-2 ZINC000354522746 411925220 /nfs/dbraw/zinc/92/52/20/411925220.db2.gz ONEQITVIQDYRKL-MRVPVSSYSA-N -1 3 244.302 1.077 20 0 BCADHM C[C@H]1CC[C@H](CN=c2nc3[nH][n-]cc-3c(N)n2)O1 ZINC000583130804 411930609 /nfs/dbraw/zinc/93/06/09/411930609.db2.gz DONRKZSHQAWCSA-NKWVEPMBSA-N -1 3 248.290 0.288 20 0 BCADHM CC(C)[C@@]1(C)C[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000572491403 411878542 /nfs/dbraw/zinc/87/85/42/411878542.db2.gz VHWRRZWLJRFDIX-PRHODGIISA-N -1 3 246.318 1.155 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000662169548 412017952 /nfs/dbraw/zinc/01/79/52/412017952.db2.gz ZXVCUVAOENCBPJ-IYSWYEEDSA-N -1 3 249.274 0.291 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000662169548 412017954 /nfs/dbraw/zinc/01/79/54/412017954.db2.gz ZXVCUVAOENCBPJ-IYSWYEEDSA-N -1 3 249.274 0.291 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000662169548 412017956 /nfs/dbraw/zinc/01/79/56/412017956.db2.gz ZXVCUVAOENCBPJ-IYSWYEEDSA-N -1 3 249.274 0.291 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000662169547 412018071 /nfs/dbraw/zinc/01/80/71/412018071.db2.gz ZXVCUVAOENCBPJ-FSPLSTOPSA-N -1 3 249.274 0.291 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000662169547 412018074 /nfs/dbraw/zinc/01/80/74/412018074.db2.gz ZXVCUVAOENCBPJ-FSPLSTOPSA-N -1 3 249.274 0.291 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000662169547 412018078 /nfs/dbraw/zinc/01/80/78/412018078.db2.gz ZXVCUVAOENCBPJ-FSPLSTOPSA-N -1 3 249.274 0.291 20 0 BCADHM Nc1nnc(CNC(=O)c2cccc([O-])c2)o1 ZINC000552155707 411958631 /nfs/dbraw/zinc/95/86/31/411958631.db2.gz ARDSDQKUMJAPHI-UHFFFAOYSA-N -1 3 234.215 0.287 20 0 BCADHM CN(CC(C)(C)C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662201076 412024447 /nfs/dbraw/zinc/02/44/47/412024447.db2.gz FXTZCSGBEHQEDN-SECBINFHSA-N -1 3 242.319 0.650 20 0 BCADHM CC(C)CN(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662203887 412024750 /nfs/dbraw/zinc/02/47/50/412024750.db2.gz SABVGVFVXWCWMR-SECBINFHSA-N -1 3 228.292 0.260 20 0 BCADHM CCN(CC1CC1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662203948 412024951 /nfs/dbraw/zinc/02/49/51/412024951.db2.gz FVNQCWRGZXLGAC-SNVBAGLBSA-N -1 3 240.303 0.404 20 0 BCADHM CC[C@@H]1CCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662201353 412025275 /nfs/dbraw/zinc/02/52/75/412025275.db2.gz IARJSHIZJPAAFD-ZJUUUORDSA-N -1 3 240.303 0.546 20 0 BCADHM CC1(C)CCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662204421 412026362 /nfs/dbraw/zinc/02/63/62/412026362.db2.gz HJEUAVQHKGPPFL-SECBINFHSA-N -1 3 240.303 0.404 20 0 BCADHM CN(CC(=O)NCC(=O)[O-])C[C@H]1CC1(C)C ZINC000662236895 412035596 /nfs/dbraw/zinc/03/55/96/412035596.db2.gz UXXNUWBYJHCLPU-MRVPVSSYSA-N -1 3 228.292 0.165 20 0 BCADHM C[C@H]1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662201497 412022703 /nfs/dbraw/zinc/02/27/03/412022703.db2.gz TVBUIQPXXMNTJL-VHSXEESVSA-N -1 3 240.303 0.404 20 0 BCADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000280489733 171142151 /nfs/dbraw/zinc/14/21/51/171142151.db2.gz AXAQLCSPQCIRJS-RKDXNWHRSA-N -1 3 243.332 0.805 20 0 BCADHM CC[C@@](C)(O)CNC(=O)c1c([O-])cccc1O ZINC000220246139 171181406 /nfs/dbraw/zinc/18/14/06/171181406.db2.gz GFVGPDDMQZDXND-GFCCVEGCSA-N -1 3 239.271 0.989 20 0 BCADHM CC[C@@](C)(O)CNc1nc2nncc-2c(O)[n-]1 ZINC000274648672 171186061 /nfs/dbraw/zinc/18/60/61/171186061.db2.gz GTTSBHLSLYCDFZ-SNVBAGLBSA-N -1 3 237.263 0.631 20 0 BCADHM CC[C@H](C(=O)[N-]OCc1cccnc1)N(C)C ZINC000153269527 171230824 /nfs/dbraw/zinc/23/08/24/171230824.db2.gz VCMREHVUBJKNBY-LLVKDONJSA-N -1 3 237.303 0.970 20 0 BCADHM CC[C@H](C)C(=O)Nc1[n-]nnc1C(=O)NC ZINC000297714053 171254816 /nfs/dbraw/zinc/25/48/16/171254816.db2.gz LCFIUAPTJFWMPR-YFKPBYRVSA-N -1 3 225.252 0.149 20 0 BCADHM CC[C@H](C)C(=O)Nc1nn[n-]c1C(=O)NC ZINC000297714053 171254817 /nfs/dbraw/zinc/25/48/17/171254817.db2.gz LCFIUAPTJFWMPR-YFKPBYRVSA-N -1 3 225.252 0.149 20 0 BCADHM CC[C@H](C)C(=O)Nc1n[n-]nc1C(=O)NC ZINC000297714053 171254819 /nfs/dbraw/zinc/25/48/19/171254819.db2.gz LCFIUAPTJFWMPR-YFKPBYRVSA-N -1 3 225.252 0.149 20 0 BCADHM CC[C@H](C)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000336353919 171318354 /nfs/dbraw/zinc/31/83/54/171318354.db2.gz XIUKZVTYAGLEEF-JGVFFNPUSA-N -1 3 211.265 0.021 20 0 BCADHM Cn1ccnc1NC(=O)c1cccc([O-])c1 ZINC000082282502 412140994 /nfs/dbraw/zinc/14/09/94/412140994.db2.gz UCGLLLWTEWIBJY-UHFFFAOYSA-N -1 3 217.228 1.378 20 0 BCADHM Cn1cnc([N-]C(=O)c2ccsn2)n1 ZINC000622617139 412159150 /nfs/dbraw/zinc/15/91/50/412159150.db2.gz XHCNBJAWAIFJCA-UHFFFAOYSA-N -1 3 209.234 0.524 20 0 BCADHM Cn1cnc([N-]C(=O)c2nc3c(s2)CCC3)n1 ZINC000569330991 412159246 /nfs/dbraw/zinc/15/92/46/412159246.db2.gz PDDDYMOPLFJYDL-UHFFFAOYSA-N -1 3 249.299 1.013 20 0 BCADHM CC[C@H](OC)C(=O)NCc1ncccc1[O-] ZINC000352501113 171585875 /nfs/dbraw/zinc/58/58/75/171585875.db2.gz MNGWAQJJDKASCQ-JTQLQIEISA-N -1 3 224.260 0.828 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1ccnc(C)n1 ZINC000525705643 412334310 /nfs/dbraw/zinc/33/43/10/412334310.db2.gz FBWPZLYVCZXYJA-SECBINFHSA-N -1 3 233.275 0.709 20 0 BCADHM CCC(C)(C)c1nnc([N-]CC(=O)N(C)C)o1 ZINC000641263219 412336616 /nfs/dbraw/zinc/33/66/16/412336616.db2.gz JNCFBPZCYAGUOF-UHFFFAOYSA-N -1 3 240.307 1.257 20 0 BCADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@H]1C[C@@H](O)C1 ZINC000635950403 412344324 /nfs/dbraw/zinc/34/43/24/412344324.db2.gz PHRYNCWNGBVUSE-FKQCQYRASA-N -1 3 247.254 0.978 20 0 BCADHM CCC[C@@H](O)[C@@H](CO)[N-]c1nnc(C(C)C)o1 ZINC000413497404 412364157 /nfs/dbraw/zinc/36/41/57/412364157.db2.gz FZKAAAVOEGPZAL-RKDXNWHRSA-N -1 3 243.307 1.127 20 0 BCADHM CCC[C@H](O)[C@@H](CO)[N-]c1nnc(C2CC2)o1 ZINC000413493265 412365322 /nfs/dbraw/zinc/36/53/22/412365322.db2.gz LJMVGEVAYNDTQN-BDAKNGLRSA-N -1 3 241.291 0.881 20 0 BCADHM CC(C)(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662752132 412291994 /nfs/dbraw/zinc/29/19/94/412291994.db2.gz HKQJIUSUICOWAH-UHFFFAOYSA-N -1 3 238.291 0.303 20 0 BCADHM CC(C)(C)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662752132 412291998 /nfs/dbraw/zinc/29/19/98/412291998.db2.gz HKQJIUSUICOWAH-UHFFFAOYSA-N -1 3 238.291 0.303 20 0 BCADHM Cc1cc(C(=O)[N-]c2nncs2)ns1 ZINC000435637164 412304437 /nfs/dbraw/zinc/30/44/37/412304437.db2.gz MNVRFQGIBVOJII-UHFFFAOYSA-N -1 3 226.286 1.555 20 0 BCADHM c1nnc([N-]Cc2cnc3n2CCC3)o1 ZINC000663255150 412402261 /nfs/dbraw/zinc/40/22/61/412402261.db2.gz BLWIYZNNMYPRBF-UHFFFAOYSA-N -1 3 205.221 0.824 20 0 BCADHM C[C@@H](N)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000663282127 412409055 /nfs/dbraw/zinc/40/90/55/412409055.db2.gz SCJCHJRWSRTJGC-SSDOTTSWSA-N -1 3 216.281 0.293 20 0 BCADHM CCc1nnc(C[N-]S(C)(=O)=O)s1 ZINC000336657147 172051727 /nfs/dbraw/zinc/05/17/27/172051727.db2.gz RAGNMJFNLSAKDT-UHFFFAOYSA-N -1 3 221.307 0.150 20 0 BCADHM CCc1nnc([N-]C(=O)c2cnn(C)n2)s1 ZINC000283973772 172059220 /nfs/dbraw/zinc/05/92/20/172059220.db2.gz OPPLUEVMDNGLMX-UHFFFAOYSA-N -1 3 238.276 0.481 20 0 BCADHM CCc1noc(C(C)(C)[N-]S(C)(=O)=O)n1 ZINC000355543959 172074345 /nfs/dbraw/zinc/07/43/45/172074345.db2.gz HGEWFLAIFGVYFN-UHFFFAOYSA-N -1 3 233.293 0.416 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]CC(F)F)cn1 ZINC000267662207 172191360 /nfs/dbraw/zinc/19/13/60/172191360.db2.gz BMJHTQFNWSCHSA-UHFFFAOYSA-N -1 3 239.247 0.446 20 0 BCADHM CCn1cnnc1[N-]C(=O)C1(O)CCC1 ZINC000285898347 172238845 /nfs/dbraw/zinc/23/88/45/172238845.db2.gz RVNFHKCVRYVYTP-UHFFFAOYSA-N -1 3 210.237 0.152 20 0 BCADHM CN(C)C(=O)C[N-]c1noc(C(C)(C)C)n1 ZINC000302117956 172372616 /nfs/dbraw/zinc/37/26/16/172372616.db2.gz DRWIRKALLXOKNC-UHFFFAOYSA-N -1 3 226.280 0.867 20 0 BCADHM CN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccco1 ZINC000276911778 173033917 /nfs/dbraw/zinc/03/39/17/173033917.db2.gz NQYYNFVRJLMILP-SECBINFHSA-N -1 3 244.316 0.652 20 0 BCADHM CN1CC[C@@H](C(=O)Nc2ncccc2[O-])CC1=O ZINC000044335125 173109997 /nfs/dbraw/zinc/10/99/97/173109997.db2.gz VZXAZVMWCFYKOO-MRVPVSSYSA-N -1 3 249.270 0.594 20 0 BCADHM CN1CC[C@@H]([N-]C(=O)C(C)(Cl)Cl)C1=O ZINC000130532283 173121782 /nfs/dbraw/zinc/12/17/82/173121782.db2.gz PNJHESYLSZMHIB-RXMQYKEDSA-N -1 3 239.102 0.527 20 0 BCADHM CNC(=O)CCCNC(=O)c1ccccc1[O-] ZINC000271252896 173241368 /nfs/dbraw/zinc/24/13/68/173241368.db2.gz JKDKEDIJFISQOQ-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000048673907 173302784 /nfs/dbraw/zinc/30/27/84/173302784.db2.gz MMEHYBWPWBORRK-LURJTMIESA-N -1 3 248.329 0.161 20 0 BCADHM CNC(=O)[C@H]1CCCCN1CCCCC(=O)[O-] ZINC000042423090 173306025 /nfs/dbraw/zinc/30/60/25/173306025.db2.gz FHPMQERVGJYHOV-SNVBAGLBSA-N -1 3 242.319 0.842 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@@H]1CC=CCC1 ZINC000297868279 173315223 /nfs/dbraw/zinc/31/52/23/173315223.db2.gz ZIBBBBBOHVYZKQ-SSDOTTSWSA-N -1 3 249.274 0.459 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@@H]1CC=CCC1 ZINC000297868279 173315225 /nfs/dbraw/zinc/31/52/25/173315225.db2.gz ZIBBBBBOHVYZKQ-SSDOTTSWSA-N -1 3 249.274 0.459 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@@H]1CC=CCC1 ZINC000297868279 173315226 /nfs/dbraw/zinc/31/52/26/173315226.db2.gz ZIBBBBBOHVYZKQ-SSDOTTSWSA-N -1 3 249.274 0.459 20 0 BCADHM COCC(C)(C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000336657492 174074854 /nfs/dbraw/zinc/07/48/54/174074854.db2.gz MAWTWDKVBGUBIP-UHFFFAOYSA-N -1 3 247.320 0.361 20 0 BCADHM COCC1(O)CN(C(=O)c2cccc([O-])c2)C1 ZINC000296856576 174112386 /nfs/dbraw/zinc/11/23/86/174112386.db2.gz IVUSNGQCALJQQC-UHFFFAOYSA-N -1 3 237.255 0.226 20 0 BCADHM COCCC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119635245 174136180 /nfs/dbraw/zinc/13/61/80/174136180.db2.gz TUMAPVANKCOUFH-UHFFFAOYSA-N -1 3 249.274 0.785 20 0 BCADHM COCCC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119635245 174136182 /nfs/dbraw/zinc/13/61/82/174136182.db2.gz TUMAPVANKCOUFH-UHFFFAOYSA-N -1 3 249.274 0.785 20 0 BCADHM COCCCN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377523354 174229490 /nfs/dbraw/zinc/22/94/90/174229490.db2.gz IRQQNRAOYJGVJF-SECBINFHSA-N -1 3 240.307 0.726 20 0 BCADHM COCCCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377523355 174231758 /nfs/dbraw/zinc/23/17/58/174231758.db2.gz IRQQNRAOYJGVJF-VIFPVBQESA-N -1 3 240.307 0.726 20 0 BCADHM COCCCO[N-]C(=O)/C=C/c1ccncn1 ZINC000288059253 174255325 /nfs/dbraw/zinc/25/53/25/174255325.db2.gz IWMHHFYGNIYCFG-ONEGZZNKSA-N -1 3 237.259 0.574 20 0 BCADHM COCCCO[N-]C(=O)Cc1cccnc1 ZINC000288113038 174255337 /nfs/dbraw/zinc/25/53/37/174255337.db2.gz LQGRJFOZLCYGHW-UHFFFAOYSA-N -1 3 224.260 0.708 20 0 BCADHM COCCN(CCO)Cc1cc([O-])cc(F)c1 ZINC000186209816 174294167 /nfs/dbraw/zinc/29/41/67/174294167.db2.gz FJIXQIPKSWOMKB-UHFFFAOYSA-N -1 3 243.278 0.972 20 0 BCADHM COCCOCCNCc1nc(C)ccc1[O-] ZINC000103343902 174358834 /nfs/dbraw/zinc/35/88/34/174358834.db2.gz GREGQPHZBBAYFO-UHFFFAOYSA-N -1 3 240.303 0.848 20 0 BCADHM COCCS(=O)(=O)[N-]CC(=O)C(C)(C)C ZINC000072256814 174372137 /nfs/dbraw/zinc/37/21/37/174372137.db2.gz ZEGHPPJWNMRHPN-UHFFFAOYSA-N -1 3 237.321 0.167 20 0 BCADHM COCC[C@@H](CO)NC(=O)c1cccc([O-])c1 ZINC000281182220 174388950 /nfs/dbraw/zinc/38/89/50/174388950.db2.gz CGJMDUKHUPNUNH-JTQLQIEISA-N -1 3 239.271 0.519 20 0 BCADHM CO[C@H](C)C[N-]S(=O)(=O)Cc1ccon1 ZINC000331275119 174835018 /nfs/dbraw/zinc/83/50/18/174835018.db2.gz NKTSUONNEMYMNV-SSDOTTSWSA-N -1 3 234.277 0.129 20 0 BCADHM CO[C@H](C)C[N-]S(=O)(=O)c1ccco1 ZINC000276168295 174835434 /nfs/dbraw/zinc/83/54/34/174835434.db2.gz IFVIWHCRPTXMIO-SSDOTTSWSA-N -1 3 219.262 0.593 20 0 BCADHM COc1ccc(C(=O)N[C@H](C)CCO)c([O-])c1 ZINC000122713554 175063088 /nfs/dbraw/zinc/06/30/88/175063088.db2.gz HHCPRLHNWPIJGC-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM COc1ccc([O-])c(C(=O)N[C@H](C)CO)c1 ZINC000035205506 175157272 /nfs/dbraw/zinc/15/72/72/175157272.db2.gz MUBHWFZCYOJTGZ-SSDOTTSWSA-N -1 3 225.244 0.511 20 0 BCADHM COc1cccc(C(=O)N2CC(CO)C2)c1[O-] ZINC000091478169 175243696 /nfs/dbraw/zinc/24/36/96/175243696.db2.gz UCTFMYJXTOUSRL-UHFFFAOYSA-N -1 3 237.255 0.465 20 0 BCADHM COc1cccc(C(=O)NCCCO)c1[O-] ZINC000035102392 175244701 /nfs/dbraw/zinc/24/47/01/175244701.db2.gz OVJDCOWKLYMVPG-UHFFFAOYSA-N -1 3 225.244 0.513 20 0 BCADHM COc1cccc(C(=O)NCCO)c1[O-] ZINC000035102224 175245262 /nfs/dbraw/zinc/24/52/62/175245262.db2.gz PYUZLMWJLRDAGZ-UHFFFAOYSA-N -1 3 211.217 0.123 20 0 BCADHM COc1ccsc1S(=O)(=O)[N-]CCO ZINC000157883417 175379411 /nfs/dbraw/zinc/37/94/11/175379411.db2.gz VTVCELQONHZBPT-UHFFFAOYSA-N -1 3 237.302 0.027 20 0 BCADHM COc1nnc(NC(=O)c2ccn(C)c2)[n-]1 ZINC000352646070 175388710 /nfs/dbraw/zinc/38/87/10/175388710.db2.gz SKWNHOQYZAERAS-UHFFFAOYSA-N -1 3 221.220 0.404 20 0 BCADHM COc1nc(NC(=O)c2ccn(C)c2)n[n-]1 ZINC000352646070 175388712 /nfs/dbraw/zinc/38/87/12/175388712.db2.gz SKWNHOQYZAERAS-UHFFFAOYSA-N -1 3 221.220 0.404 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccn(C)c2)n1 ZINC000352646070 175388713 /nfs/dbraw/zinc/38/87/13/175388713.db2.gz SKWNHOQYZAERAS-UHFFFAOYSA-N -1 3 221.220 0.404 20 0 BCADHM COc1nnc(NC(=O)CC[C@@H](C)OC)[n-]1 ZINC000164105968 175393198 /nfs/dbraw/zinc/39/31/98/175393198.db2.gz MWZUVAXOGYXJSV-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM COc1nc(NC(=O)CC[C@@H](C)OC)n[n-]1 ZINC000164105968 175393199 /nfs/dbraw/zinc/39/31/99/175393199.db2.gz MWZUVAXOGYXJSV-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)CC[C@@H](C)OC)n1 ZINC000164105968 175393200 /nfs/dbraw/zinc/39/32/00/175393200.db2.gz MWZUVAXOGYXJSV-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM COc1nnc(NC(=O)c2c(C)noc2C)[n-]1 ZINC000129385505 175393263 /nfs/dbraw/zinc/39/32/63/175393263.db2.gz PEVPJJJBGFLREO-UHFFFAOYSA-N -1 3 237.219 0.670 20 0 BCADHM COc1nc(NC(=O)c2c(C)noc2C)n[n-]1 ZINC000129385505 175393265 /nfs/dbraw/zinc/39/32/65/175393265.db2.gz PEVPJJJBGFLREO-UHFFFAOYSA-N -1 3 237.219 0.670 20 0 BCADHM COc1n[n-]c(NC(=O)c2c(C)noc2C)n1 ZINC000129385505 175393266 /nfs/dbraw/zinc/39/32/66/175393266.db2.gz PEVPJJJBGFLREO-UHFFFAOYSA-N -1 3 237.219 0.670 20 0 BCADHM COc1nnc(NC(=O)c2cc(C)nn2C)[n-]1 ZINC000126839321 175393355 /nfs/dbraw/zinc/39/33/55/175393355.db2.gz XOYYJDBRPWNDHQ-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1nc(NC(=O)c2cc(C)nn2C)n[n-]1 ZINC000126839321 175393356 /nfs/dbraw/zinc/39/33/56/175393356.db2.gz XOYYJDBRPWNDHQ-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(C)nn2C)n1 ZINC000126839321 175393357 /nfs/dbraw/zinc/39/33/57/175393357.db2.gz XOYYJDBRPWNDHQ-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1nnc(NC(=O)C[C@@H]2CCCCO2)[n-]1 ZINC000129391366 175393802 /nfs/dbraw/zinc/39/38/02/175393802.db2.gz WXWSOFAWSIDFLM-ZETCQYMHSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nc(NC(=O)C[C@@H]2CCCCO2)n[n-]1 ZINC000129391366 175393803 /nfs/dbraw/zinc/39/38/03/175393803.db2.gz WXWSOFAWSIDFLM-ZETCQYMHSA-N -1 3 240.263 0.711 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@@H]2CCCCO2)n1 ZINC000129391366 175393804 /nfs/dbraw/zinc/39/38/04/175393804.db2.gz WXWSOFAWSIDFLM-ZETCQYMHSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nnc(NC(=O)C[C@@](C)(O)C2CC2)[n-]1 ZINC000272557840 175393876 /nfs/dbraw/zinc/39/38/76/175393876.db2.gz UBDIHMIMWDOQMO-SNVBAGLBSA-N -1 3 240.263 0.303 20 0 BCADHM COc1nc(NC(=O)C[C@@](C)(O)C2CC2)n[n-]1 ZINC000272557840 175393877 /nfs/dbraw/zinc/39/38/77/175393877.db2.gz UBDIHMIMWDOQMO-SNVBAGLBSA-N -1 3 240.263 0.303 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@@](C)(O)C2CC2)n1 ZINC000272557840 175393878 /nfs/dbraw/zinc/39/38/78/175393878.db2.gz UBDIHMIMWDOQMO-SNVBAGLBSA-N -1 3 240.263 0.303 20 0 BCADHM COc1nnc(NC(=O)c2ncccc2C)[n-]1 ZINC000129584493 175395942 /nfs/dbraw/zinc/39/59/42/175395942.db2.gz YKEPTWBSQZEDFY-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nc(NC(=O)c2ncccc2C)n[n-]1 ZINC000129584493 175395943 /nfs/dbraw/zinc/39/59/43/175395943.db2.gz YKEPTWBSQZEDFY-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1n[n-]c(NC(=O)c2ncccc2C)n1 ZINC000129584493 175395944 /nfs/dbraw/zinc/39/59/44/175395944.db2.gz YKEPTWBSQZEDFY-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM C[C@@H](c1ccncc1)N(C)Cc1nc(=O)[n-][nH]1 ZINC000271750087 176035651 /nfs/dbraw/zinc/03/56/51/176035651.db2.gz YINCKHCARROFSW-QMMMGPOBSA-N -1 3 233.275 0.686 20 0 BCADHM C[C@@H]1CCCC[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC000328602663 176081898 /nfs/dbraw/zinc/08/18/98/176081898.db2.gz HCZKUSGCQPWWGO-BDAKNGLRSA-N -1 3 224.308 0.777 20 0 BCADHM C[C@@H]1CCCC[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC000328602666 176088157 /nfs/dbraw/zinc/08/81/57/176088157.db2.gz HCZKUSGCQPWWGO-RKDXNWHRSA-N -1 3 224.308 0.777 20 0 BCADHM C[C@@H]1CCC[C@@]1(O)CN=c1ncnc2[nH][n-]cc1-2 ZINC000338810454 176133712 /nfs/dbraw/zinc/13/37/12/176133712.db2.gz LUXZABGKHYLUAC-PRHODGIISA-N -1 3 247.302 0.689 20 0 BCADHM C[C@@H]1CCN(C(=O)C(=O)[N-]c2cnns2)C1 ZINC000277511334 176153511 /nfs/dbraw/zinc/15/35/11/176153511.db2.gz NWWQKIPMOYIYGE-ZCFIWIBFSA-N -1 3 240.288 0.345 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)CC(=O)N1 ZINC000297139676 176262166 /nfs/dbraw/zinc/26/21/66/176262166.db2.gz URGVGXFAPFFXAB-MRVPVSSYSA-N -1 3 234.255 0.353 20 0 BCADHM C[C@@H]1CN(C(=O)c2cncc([O-])c2)[C@H](C)CN1C ZINC000340007110 176264539 /nfs/dbraw/zinc/26/45/39/176264539.db2.gz VFKGEHUVGQTEAN-NXEZZACHSA-N -1 3 249.314 0.952 20 0 BCADHM C[C@@H]1CN(C)CCN1C(=O)c1csc(=O)[n-]1 ZINC000329955331 176267563 /nfs/dbraw/zinc/26/75/63/176267563.db2.gz OXPXOSKIEVNWPS-SSDOTTSWSA-N -1 3 241.316 0.625 20 0 BCADHM C[C@@H]1CN(CCCC(=O)[O-])[C@H](C)CO1 ZINC000035787832 176288329 /nfs/dbraw/zinc/28/83/29/176288329.db2.gz YJCMAWOIYIJNNG-RKDXNWHRSA-N -1 3 201.266 0.960 20 0 BCADHM O=c1[n-]c(CN2CCC[C@@H]2C2CC2)n[nH]1 ZINC000678715220 487633505 /nfs/dbraw/zinc/63/35/05/487633505.db2.gz GSQRNUROBBDQHO-MRVPVSSYSA-N -1 3 208.265 0.885 20 0 BCADHM C[C@@H]1CSC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000306846393 176352543 /nfs/dbraw/zinc/35/25/43/176352543.db2.gz JYJDYGCEPFAKCW-VDTYLAMSSA-N -1 3 212.278 0.286 20 0 BCADHM C[C@@H]1CSC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000306846393 176352544 /nfs/dbraw/zinc/35/25/44/176352544.db2.gz JYJDYGCEPFAKCW-VDTYLAMSSA-N -1 3 212.278 0.286 20 0 BCADHM C[C@@H]1CSC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000306846393 176352546 /nfs/dbraw/zinc/35/25/46/176352546.db2.gz JYJDYGCEPFAKCW-VDTYLAMSSA-N -1 3 212.278 0.286 20 0 BCADHM C[C@@H]1C[C@@H](C)CN(CC(=O)NCC(=O)[O-])C1 ZINC000033433884 176360667 /nfs/dbraw/zinc/36/06/67/176360667.db2.gz FMEPAPSNGJHRFD-RKDXNWHRSA-N -1 3 228.292 0.165 20 0 BCADHM C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]c2nncn2C)O1 ZINC000283503459 176364995 /nfs/dbraw/zinc/36/49/95/176364995.db2.gz LVALQKQVTPYFAI-PRJMDXOYSA-N -1 3 224.264 0.567 20 0 BCADHM C[C@H]1CCCCN1CCNC(=O)C(=O)[O-] ZINC000308888754 177075139 /nfs/dbraw/zinc/07/51/39/177075139.db2.gz WSLIUMCDYZTSDH-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)[O-] ZINC000336743144 177100593 /nfs/dbraw/zinc/10/05/93/177100593.db2.gz OSARYLWCLWNQRL-IUCAKERBSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC000336450125 177166254 /nfs/dbraw/zinc/16/62/54/177166254.db2.gz RREKBNGRFDORTO-VIFPVBQESA-N -1 3 238.335 0.976 20 0 BCADHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000128836643 177193058 /nfs/dbraw/zinc/19/30/58/177193058.db2.gz JCDFWXRJJVFOQR-JGVFFNPUSA-N -1 3 229.305 0.877 20 0 BCADHM C[C@H]1CN(C(=O)c2csc(=O)[n-]2)CCO1 ZINC000329277219 177231562 /nfs/dbraw/zinc/23/15/62/177231562.db2.gz JHQWNNWDBXTLBL-LURJTMIESA-N -1 3 228.273 0.710 20 0 BCADHM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)CN1C ZINC000341130277 177239455 /nfs/dbraw/zinc/23/94/55/177239455.db2.gz APJWFUFKNLRRHV-SFYZADRCSA-N -1 3 225.296 0.035 20 0 BCADHM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H](C)N1C ZINC000339615598 177270460 /nfs/dbraw/zinc/27/04/60/177270460.db2.gz LGHPTNBDAQBKHX-OCAPTIKFSA-N -1 3 225.296 0.035 20 0 BCADHM C[C@H]1CNCCN1C(=O)c1ncccc1[O-] ZINC000054369605 177283784 /nfs/dbraw/zinc/28/37/84/177283784.db2.gz IMCSEVXPCCPARV-QMMMGPOBSA-N -1 3 221.260 0.221 20 0 BCADHM C[C@H]1COCC[C@@H]1CNC(=O)c1c[n-]nn1 ZINC000286499902 177293598 /nfs/dbraw/zinc/29/35/98/177293598.db2.gz ARIWCRFZOYOWBF-JGVFFNPUSA-N -1 3 224.264 0.207 20 0 BCADHM C[C@H]1COCC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC000286499902 177293599 /nfs/dbraw/zinc/29/35/99/177293599.db2.gz ARIWCRFZOYOWBF-JGVFFNPUSA-N -1 3 224.264 0.207 20 0 BCADHM C[C@H]1COCC[C@@H]1CNC(=O)c1cn[n-]n1 ZINC000286499902 177293601 /nfs/dbraw/zinc/29/36/01/177293601.db2.gz ARIWCRFZOYOWBF-JGVFFNPUSA-N -1 3 224.264 0.207 20 0 BCADHM C[C@@H]1C[C@H](C)[C@@H](C(=O)[N-]c2nncn2C)O1 ZINC000283503460 177321734 /nfs/dbraw/zinc/32/17/34/177321734.db2.gz LVALQKQVTPYFAI-RNJXMRFFSA-N -1 3 224.264 0.567 20 0 BCADHM C[C@H]1C[C@H](N(C)C(=O)C(=O)[O-])CCN1C ZINC000336748667 177363344 /nfs/dbraw/zinc/36/33/44/177363344.db2.gz DMAKOPALXFPAEQ-JGVFFNPUSA-N -1 3 214.265 0.012 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CC(CCO)C1 ZINC000492516324 226010593 /nfs/dbraw/zinc/01/05/93/226010593.db2.gz BCPUSEDBWXYSOA-UPHRSURJSA-N -1 3 248.282 0.641 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NC[C@@H](O)C1CC1 ZINC000492520513 226012480 /nfs/dbraw/zinc/01/24/80/226012480.db2.gz NDBQQXOSYFLUCK-FXZDBVEHSA-N -1 3 248.282 0.688 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]OC1CCOCC1 ZINC000492891990 226076667 /nfs/dbraw/zinc/07/66/67/226076667.db2.gz DNVPEMHNVYANBL-OWOJBTEDSA-N -1 3 237.259 0.650 20 0 BCADHM O=C(/C=C/c1ccncn1)[N-]O[C@@H]1CCOC1 ZINC000492973691 226094585 /nfs/dbraw/zinc/09/45/85/226094585.db2.gz OPFGMICLYKJZQD-TXXBHVLJSA-N -1 3 235.243 0.327 20 0 BCADHM O=C(/C=C\c1ccncn1)[N-]O[C@@H]1CCOC1 ZINC000492973689 226094659 /nfs/dbraw/zinc/09/46/59/226094659.db2.gz OPFGMICLYKJZQD-JWXWKVPASA-N -1 3 235.243 0.327 20 0 BCADHM O=C(/C=C\c1cncc(F)c1)[N-]OCCCO ZINC000492987895 226098730 /nfs/dbraw/zinc/09/87/30/226098730.db2.gz DDVTXKDGZGVEOE-IHWYPQMZSA-N -1 3 240.234 0.664 20 0 BCADHM COCCCO[N-]C(=O)/C=C/c1ncc[nH]1 ZINC000493268156 226171800 /nfs/dbraw/zinc/17/18/00/226171800.db2.gz ZMCMSIZVNUZXMI-ONEGZZNKSA-N -1 3 225.248 0.507 20 0 BCADHM Cn1cc(NC(=O)/C=C/c2cncc([O-])c2)nn1 ZINC000493488354 226230389 /nfs/dbraw/zinc/23/03/89/226230389.db2.gz GYWWYLXEMKUBHO-NSCUHMNNSA-N -1 3 245.242 0.568 20 0 BCADHM COc1nnc(NC(=O)C=Cc2ccn(C)c2)[n-]1 ZINC000493689373 226249436 /nfs/dbraw/zinc/24/94/36/226249436.db2.gz NZQXLFSYGUPYSW-ONEGZZNKSA-N -1 3 247.258 0.804 20 0 BCADHM COc1nc(NC(=O)C=Cc2ccn(C)c2)n[n-]1 ZINC000493689373 226249437 /nfs/dbraw/zinc/24/94/37/226249437.db2.gz NZQXLFSYGUPYSW-ONEGZZNKSA-N -1 3 247.258 0.804 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2ccn(C)c2)n1 ZINC000493689373 226249438 /nfs/dbraw/zinc/24/94/38/226249438.db2.gz NZQXLFSYGUPYSW-ONEGZZNKSA-N -1 3 247.258 0.804 20 0 BCADHM CCN1CCC[C@@H]1CNC(=O)C(C)(C)C(=O)[O-] ZINC000215091189 487663669 /nfs/dbraw/zinc/66/36/69/487663669.db2.gz ZAIZFFGLKSOTIK-SECBINFHSA-N -1 3 242.319 0.698 20 0 BCADHM CCCCN1CCOC[C@@H]1CC(=O)[O-] ZINC000087507344 487665380 /nfs/dbraw/zinc/66/53/80/487665380.db2.gz JHKLHXRXJDWRGG-VIFPVBQESA-N -1 3 201.266 0.962 20 0 BCADHM C[C@H](CO)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459369208 229170148 /nfs/dbraw/zinc/17/01/48/229170148.db2.gz FYZVKGWWHZCHOO-MRVPVSSYSA-N -1 3 237.303 0.872 20 0 BCADHM C[C@@H]1C[C@H](C(=O)Nc2ccncc2[O-])[C@H](C)O1 ZINC000632169629 487673527 /nfs/dbraw/zinc/67/35/27/487673527.db2.gz ABEDBYUBNKZLDK-VGMNWLOBSA-N -1 3 236.271 0.961 20 0 BCADHM O=C([O-])C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000653472048 487677866 /nfs/dbraw/zinc/67/78/66/487677866.db2.gz DWFXPFHAUFNZLY-BDAKNGLRSA-N -1 3 226.276 0.204 20 0 BCADHM O=C([O-])C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000653472049 487678209 /nfs/dbraw/zinc/67/82/09/487678209.db2.gz DWFXPFHAUFNZLY-DTWKUNHWSA-N -1 3 226.276 0.204 20 0 BCADHM Cc1cc(C[N-]S(=O)(=O)c2ccoc2)n[nH]1 ZINC000671675931 487683962 /nfs/dbraw/zinc/68/39/62/487683962.db2.gz AZVGPYYBVCSGHT-UHFFFAOYSA-N -1 3 241.272 0.790 20 0 BCADHM C[C@@H](C[C@@H]1CCOC1)N=c1ncnc2[nH][n-]cc1-2 ZINC000675291374 487691254 /nfs/dbraw/zinc/69/12/54/487691254.db2.gz OMNOCXLCGBWFAK-IUCAKERBSA-N -1 3 247.302 0.953 20 0 BCADHM C[C@@H]1C[C@H](C)N1C(=O)C(=O)[N-]c1cnns1 ZINC000527188716 262828864 /nfs/dbraw/zinc/82/88/64/262828864.db2.gz ZJOKHAYYSAIORI-OLQVQODUSA-N -1 3 240.288 0.486 20 0 BCADHM CC[C@H](C)[C@H](N)C(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000044624893 487701778 /nfs/dbraw/zinc/70/17/78/487701778.db2.gz PNQGVNXAKLWQOT-CIUDSAMLSA-N -1 3 230.308 0.681 20 0 BCADHM Cc1n[nH]c(C(=O)N[C@@H](C)CN(C)C)c1[O-] ZINC000672516591 487705081 /nfs/dbraw/zinc/70/50/81/487705081.db2.gz CCKVIRJTOYRZKH-LURJTMIESA-N -1 3 226.280 0.104 20 0 BCADHM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cnn[n-]1 ZINC000675354121 487717373 /nfs/dbraw/zinc/71/73/73/487717373.db2.gz XIAWYWOMABSKDB-YUMQZZPRSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cn[n-]n1 ZINC000675354121 487717377 /nfs/dbraw/zinc/71/73/77/487717377.db2.gz XIAWYWOMABSKDB-YUMQZZPRSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1c[n-]nn1 ZINC000675354121 487717368 /nfs/dbraw/zinc/71/73/68/487717368.db2.gz XIAWYWOMABSKDB-YUMQZZPRSA-N -1 3 224.264 0.350 20 0 BCADHM Cn1ncnc1COc1ccc2c([O-])coc2c1 ZINC000088572359 487734631 /nfs/dbraw/zinc/73/46/31/487734631.db2.gz KWXQQQOTAOGJFJ-UHFFFAOYSA-N -1 3 245.238 0.969 20 0 BCADHM Cc1c[nH]nc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000669609595 487789138 /nfs/dbraw/zinc/78/91/38/487789138.db2.gz HNZBVDKUBMGSKC-UHFFFAOYSA-N -1 3 249.230 0.480 20 0 BCADHM O=C(CC1CCCCC1)[N-]OCCO ZINC000776584784 585701008 /nfs/dbraw/zinc/70/10/08/585701008.db2.gz ORFRVQDAMININE-UHFFFAOYSA-N -1 3 201.266 0.997 20 0 BCADHM CC[C@@H](C(=O)[N-]C1=NCCS1)[C@@H](C)O ZINC000790070682 585957265 /nfs/dbraw/zinc/95/72/65/585957265.db2.gz ZBEPNWFNGPPWKA-RNFRBKRXSA-N -1 3 216.306 0.612 20 0 BCADHM CC(=O)CCN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823533998 587230225 /nfs/dbraw/zinc/23/02/25/587230225.db2.gz VWPWAWGQPQAJHY-VIFPVBQESA-N -1 3 214.265 0.650 20 0 BCADHM O=C([O-])[C@]1(F)CCN(C[C@H]2CCOC2)C1 ZINC000833175634 587701556 /nfs/dbraw/zinc/70/15/56/587701556.db2.gz RZIOUBBJDFXVPD-SCZZXKLOSA-N -1 3 217.240 0.522 20 0 BCADHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccco2)C1 ZINC000625668976 487836728 /nfs/dbraw/zinc/83/67/28/487836728.db2.gz YJOOOXDIANPLAO-DTORHVGOSA-N -1 3 245.300 0.983 20 0 BCADHM CO[C@@H]1CCN(CCF)[C@@H](C(=O)[O-])C1 ZINC000851708523 588615427 /nfs/dbraw/zinc/61/54/27/588615427.db2.gz WLXIZNQDBMZPLC-HTQZYQBOSA-N -1 3 205.229 0.520 20 0 BCADHM Cn1cc(C(=O)NC2(C)CC=CC2)c(=O)[n-]c1=O ZINC000654008673 487849598 /nfs/dbraw/zinc/84/95/98/487849598.db2.gz VTYCRKZVWIBTIP-UHFFFAOYSA-N -1 3 249.270 0.324 20 0 BCADHM CCOc1cccc(NC(=O)c2nnc[n-]2)n1 ZINC000676530789 487866982 /nfs/dbraw/zinc/86/69/82/487866982.db2.gz FLBGXIUUXIGYRT-UHFFFAOYSA-N -1 3 233.231 0.851 20 0 BCADHM CCOc1cccc(NC(=O)c2nc[n-]n2)n1 ZINC000676530789 487866988 /nfs/dbraw/zinc/86/69/88/487866988.db2.gz FLBGXIUUXIGYRT-UHFFFAOYSA-N -1 3 233.231 0.851 20 0 BCADHM O=C(C[C@H]1CC(=O)N1)Nc1ccccc1[O-] ZINC000666920703 487904097 /nfs/dbraw/zinc/90/40/97/487904097.db2.gz AXUDZCLNPUKXAZ-SSDOTTSWSA-N -1 3 220.228 0.609 20 0 BCADHM CCc1cc(Sc2n[n-]c(CO)n2)ncn1 ZINC000684589769 487943585 /nfs/dbraw/zinc/94/35/85/487943585.db2.gz RQNWXEKWSIPXCY-UHFFFAOYSA-N -1 3 237.288 0.801 20 0 BCADHM C[C@H]1CCN(c2nc3nncc-3c(O)[n-]2)[C@@H]1CO ZINC000682396386 487947082 /nfs/dbraw/zinc/94/70/82/487947082.db2.gz UPCRWQHLYMKZGV-POYBYMJQSA-N -1 3 249.274 0.266 20 0 BCADHM C[C@H](CO)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000676994765 487952351 /nfs/dbraw/zinc/95/23/51/487952351.db2.gz KLGAAUBZBYTVEJ-DTWKUNHWSA-N -1 3 240.307 0.318 20 0 BCADHM Cn1ccnc1CNC(=O)Cc1cncc([O-])c1 ZINC000569602146 322972315 /nfs/dbraw/zinc/97/23/15/322972315.db2.gz GJFHNVHFKMHYCY-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM CC[C@@H](O)CNC(=O)c1cccc(OC)c1[O-] ZINC000126056645 323002568 /nfs/dbraw/zinc/00/25/68/323002568.db2.gz GYAGEKGXZPTVFN-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM CC[C@@H](O)CNC(=O)c1ccc(OC)cc1[O-] ZINC000126054812 323002575 /nfs/dbraw/zinc/00/25/75/323002575.db2.gz RIERXVGVMJXAFH-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM O=C([N-]c1nncs1)c1cc2n(n1)CCO2 ZINC000562056787 323011251 /nfs/dbraw/zinc/01/12/51/323011251.db2.gz MZBJHGNFBYLZOI-UHFFFAOYSA-N -1 3 237.244 0.379 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C[C@@H]1C[C@H]1C ZINC000562698332 323028244 /nfs/dbraw/zinc/02/82/44/323028244.db2.gz FQPXYFRHRQSMOR-RITPCOANSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C[C@@H]1C[C@H]1C ZINC000562698332 323028245 /nfs/dbraw/zinc/02/82/45/323028245.db2.gz FQPXYFRHRQSMOR-RITPCOANSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C[C@@H]1C[C@H]1C ZINC000562698332 323028246 /nfs/dbraw/zinc/02/82/46/323028246.db2.gz FQPXYFRHRQSMOR-RITPCOANSA-N -1 3 237.263 0.149 20 0 BCADHM Cn1ccc(CNC2(C(=O)[O-])CCCC2)n1 ZINC000562799274 323030921 /nfs/dbraw/zinc/03/09/21/323030921.db2.gz ATFRPSVXCOHPIN-UHFFFAOYSA-N -1 3 223.276 0.907 20 0 BCADHM O=C(N[C@@H]1CC[C@H]1O)c1cccc2nn[n-]c21 ZINC000563015461 323079956 /nfs/dbraw/zinc/07/99/56/323079956.db2.gz DHMAGNNNSZAAPR-VXNVDRBHSA-N -1 3 232.243 0.211 20 0 BCADHM O=C(N[C@@H]1CC[C@H]1O)c1cccc2[n-]nnc21 ZINC000563015461 323079957 /nfs/dbraw/zinc/07/99/57/323079957.db2.gz DHMAGNNNSZAAPR-VXNVDRBHSA-N -1 3 232.243 0.211 20 0 BCADHM O=C(N[C@@H]1CC[C@H]1O)c1cccc2n[n-]nc21 ZINC000563015461 323079958 /nfs/dbraw/zinc/07/99/58/323079958.db2.gz DHMAGNNNSZAAPR-VXNVDRBHSA-N -1 3 232.243 0.211 20 0 BCADHM CCc1cccc(C(=O)N(C)CC(N)=O)c1[O-] ZINC000531435995 323089548 /nfs/dbraw/zinc/08/95/48/323089548.db2.gz JAHCJFYDTYFRRA-UHFFFAOYSA-N -1 3 236.271 0.512 20 0 BCADHM CN(CCN(C)C1CC1)c1nc(C(=O)[O-])co1 ZINC000563205092 323101758 /nfs/dbraw/zinc/10/17/58/323101758.db2.gz JUMUCWOCRWOSEW-UHFFFAOYSA-N -1 3 239.275 0.903 20 0 BCADHM CN(C)c1ccc(NC(=O)c2cnn[n-]2)nc1 ZINC000049475615 323161405 /nfs/dbraw/zinc/16/14/05/323161405.db2.gz RJHQWYNIGIPTQD-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CN(C)c1ccc(NC(=O)c2c[n-]nn2)nc1 ZINC000049475615 323161406 /nfs/dbraw/zinc/16/14/06/323161406.db2.gz RJHQWYNIGIPTQD-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CN(C)c1ccc(NC(=O)c2cn[n-]n2)nc1 ZINC000049475615 323161407 /nfs/dbraw/zinc/16/14/07/323161407.db2.gz RJHQWYNIGIPTQD-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CN(CCC(N)=O)Cc1ncccc1[O-] ZINC000563844407 323180576 /nfs/dbraw/zinc/18/05/76/323180576.db2.gz XCTOBQOGRDUXRV-UHFFFAOYSA-N -1 3 209.249 0.094 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]CCCF)nc1C ZINC000535764520 323190743 /nfs/dbraw/zinc/19/07/43/323190743.db2.gz RUQZNSXEJYOEHT-UHFFFAOYSA-N -1 3 249.311 0.849 20 0 BCADHM CO[C@H]1CCN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000526115174 323228903 /nfs/dbraw/zinc/22/89/03/323228903.db2.gz AQHAHYNCBJXADQ-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM CO[C@H]1CCN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000526115174 323228904 /nfs/dbraw/zinc/22/89/04/323228904.db2.gz AQHAHYNCBJXADQ-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM CO[C@H]1CCN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000526115174 323228905 /nfs/dbraw/zinc/22/89/05/323228905.db2.gz AQHAHYNCBJXADQ-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM CN(CC[C@H]1CCCO1)Cc1nc(=O)n(C)[n-]1 ZINC000526964183 323307007 /nfs/dbraw/zinc/30/70/07/323307007.db2.gz PFMMJKBUKVMOEQ-SECBINFHSA-N -1 3 240.307 0.109 20 0 BCADHM C[C@@H](CO)N(C)C(=O)Cc1cncc([O-])c1 ZINC000563976999 323337960 /nfs/dbraw/zinc/33/79/60/323337960.db2.gz XDRZFZLXZXCDDC-QMMMGPOBSA-N -1 3 224.260 0.169 20 0 BCADHM C[C@@H]1C[C@H](O)CN1C(=O)c1cccc2[n-]nnc21 ZINC000530416441 323385945 /nfs/dbraw/zinc/38/59/45/323385945.db2.gz PDBICCGBUCRQFJ-SFYZADRCSA-N -1 3 246.270 0.553 20 0 BCADHM C[C@@H]1C[C@H](O)CN1C(=O)c1cccc2nn[n-]c21 ZINC000530416441 323385949 /nfs/dbraw/zinc/38/59/49/323385949.db2.gz PDBICCGBUCRQFJ-SFYZADRCSA-N -1 3 246.270 0.553 20 0 BCADHM C[C@@H]1C[C@H](O)CN1C(=O)c1cccc2n[n-]nc21 ZINC000530416441 323385953 /nfs/dbraw/zinc/38/59/53/323385953.db2.gz PDBICCGBUCRQFJ-SFYZADRCSA-N -1 3 246.270 0.553 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C2(C)CCC2)n1 ZINC000572032963 323527533 /nfs/dbraw/zinc/52/75/33/323527533.db2.gz BBQIQMZSFSPBIS-UHFFFAOYSA-N -1 3 229.305 0.641 20 0 BCADHM COC(=O)C[C@H](C)C(=O)Nc1ccncc1[O-] ZINC000162900333 324135233 /nfs/dbraw/zinc/13/52/33/324135233.db2.gz YXFOAEDAPOXVKU-ZETCQYMHSA-N -1 3 238.243 0.925 20 0 BCADHM O=C([N-]c1cnns1)Nc1cc[nH]n1 ZINC000192361313 324197034 /nfs/dbraw/zinc/19/70/34/324197034.db2.gz ZICDOFWNYQVVLF-UHFFFAOYSA-N -1 3 210.222 0.905 20 0 BCADHM CC1(C)OC[C@H]2C[C@]21NC(=O)c1c[n-]nn1 ZINC000529785099 324397477 /nfs/dbraw/zinc/39/74/77/324397477.db2.gz PNHIZHUXXRKXGS-LDWIPMOCSA-N -1 3 222.248 0.102 20 0 BCADHM CC1(C)OC[C@H]2C[C@]21NC(=O)c1cnn[n-]1 ZINC000529785099 324397483 /nfs/dbraw/zinc/39/74/83/324397483.db2.gz PNHIZHUXXRKXGS-LDWIPMOCSA-N -1 3 222.248 0.102 20 0 BCADHM CC1(C)OC[C@H]2C[C@]21NC(=O)c1cn[n-]n1 ZINC000529785099 324397486 /nfs/dbraw/zinc/39/74/86/324397486.db2.gz PNHIZHUXXRKXGS-LDWIPMOCSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(NCCCn1ccnn1)c1ccccc1[O-] ZINC000127294370 324758838 /nfs/dbraw/zinc/75/88/38/324758838.db2.gz QJLQKKIOQUZQCD-UHFFFAOYSA-N -1 3 246.270 0.804 20 0 BCADHM CC(C)N(Cc1nc(=O)n(C)[n-]1)CC1CC1 ZINC000543436487 325088328 /nfs/dbraw/zinc/08/83/28/325088328.db2.gz PQYRDRZLTFVKSC-UHFFFAOYSA-N -1 3 224.308 0.729 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccon1 ZINC000130984041 325105829 /nfs/dbraw/zinc/10/58/29/325105829.db2.gz OVEONMBZLLSOSA-UHFFFAOYSA-N -1 3 236.187 0.437 20 0 BCADHM CN(C)S(=O)(=O)Nc1cc([O-])cc(F)c1 ZINC000131401257 325145130 /nfs/dbraw/zinc/14/51/30/325145130.db2.gz ALCFXKFYZUEYHF-UHFFFAOYSA-N -1 3 234.252 0.750 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)CCC(C)C)CC1 ZINC000131683391 325177685 /nfs/dbraw/zinc/17/76/85/325177685.db2.gz KLYWTYUAHBAKAJ-UHFFFAOYSA-N -1 3 249.332 0.658 20 0 BCADHM CC[C@@H](C)CS(=O)(=O)[N-]C1(C(=O)OC)CC1 ZINC000131715124 325179357 /nfs/dbraw/zinc/17/93/57/325179357.db2.gz WWOKGEQPIYUGJS-MRVPVSSYSA-N -1 3 249.332 0.658 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)CCC(C)C ZINC000082432372 325540290 /nfs/dbraw/zinc/54/02/90/325540290.db2.gz OMEUPYQBEIZQNS-UHFFFAOYSA-N -1 3 223.294 0.125 20 0 BCADHM CCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000552845000 325667275 /nfs/dbraw/zinc/66/72/75/325667275.db2.gz CRCQAKFQVOZJIV-UHFFFAOYSA-N -1 3 207.233 0.809 20 0 BCADHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000564908201 325824748 /nfs/dbraw/zinc/82/47/48/325824748.db2.gz KMHUXQKSPHSJSF-SFYZADRCSA-N -1 3 247.320 0.122 20 0 BCADHM O=C1NCC[C@@]12CCCN2Cc1ncccc1[O-] ZINC000566982208 326099584 /nfs/dbraw/zinc/09/95/84/326099584.db2.gz STZGDBWVGADDPU-ZDUSSCGKSA-N -1 3 247.298 0.642 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@@H]1CO ZINC000153815574 326115090 /nfs/dbraw/zinc/11/50/90/326115090.db2.gz PXIFSZPAXYICPF-PGLGOXFNSA-N -1 3 248.282 0.784 20 0 BCADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)c1ncc[nH]1 ZINC000568233562 326331085 /nfs/dbraw/zinc/33/10/85/326331085.db2.gz SRAMCMRIBPWQDX-MRVPVSSYSA-N -1 3 246.270 0.930 20 0 BCADHM CC(C)C(C)(C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000568561829 326365395 /nfs/dbraw/zinc/36/53/95/326365395.db2.gz KNMVKZPBSZIZMV-UHFFFAOYSA-N -1 3 241.291 0.089 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCCOC1 ZINC000573106851 326430101 /nfs/dbraw/zinc/43/01/01/326430101.db2.gz OGUDHBZGKHZNIV-SNVBAGLBSA-N -1 3 236.271 0.625 20 0 BCADHM C[C@H](O)CCNC(=O)Cc1cncc([O-])c1 ZINC000655393323 488004053 /nfs/dbraw/zinc/00/40/53/488004053.db2.gz IDBXFJLDRWEXHA-QMMMGPOBSA-N -1 3 224.260 0.217 20 0 BCADHM C[C@@H]1C[C@H](O)CN(Cc2ncccc2[O-])C1 ZINC000666455727 488019412 /nfs/dbraw/zinc/01/94/12/488019412.db2.gz GPPNDXWAQFILEE-ZJUUUORDSA-N -1 3 222.288 0.990 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCCN1 ZINC000044625100 488030234 /nfs/dbraw/zinc/03/02/34/488030234.db2.gz JSVTTZDOCZSANL-RKDXNWHRSA-N -1 3 228.292 0.450 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC2(C1)CCCOC2 ZINC000627305637 488067479 /nfs/dbraw/zinc/06/74/79/488067479.db2.gz CKQRILNTQUTKMF-UHFFFAOYSA-N -1 3 249.270 0.435 20 0 BCADHM O=C(Cn1cncn1)Nc1cc(F)ccc1[O-] ZINC000677588655 488081929 /nfs/dbraw/zinc/08/19/29/488081929.db2.gz FTVMGRZZJAOCMM-UHFFFAOYSA-N -1 3 236.206 0.762 20 0 BCADHM Cn1ncc(NC(=O)c2nc[n-]n2)c1C(F)F ZINC000677605769 488083919 /nfs/dbraw/zinc/08/39/19/488083919.db2.gz FOLCYLYIPXVCKW-UHFFFAOYSA-N -1 3 242.189 0.728 20 0 BCADHM CN(C)CCNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000166809976 488109631 /nfs/dbraw/zinc/10/96/31/488109631.db2.gz IAKPSOPJGVVSQX-MRVPVSSYSA-N -1 3 230.308 0.411 20 0 BCADHM O=C(Cn1cncn1)Nc1cccc([O-])c1F ZINC000677801368 488124890 /nfs/dbraw/zinc/12/48/90/488124890.db2.gz LIXRXVWEJUCNJL-UHFFFAOYSA-N -1 3 236.206 0.762 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1c[n-]nn1 ZINC000670442493 487491231 /nfs/dbraw/zinc/49/12/31/487491231.db2.gz HUTMOCLIWKFOIS-UWVGGRQHSA-N -1 3 243.270 0.733 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1cnn[n-]1 ZINC000670442493 487491237 /nfs/dbraw/zinc/49/12/37/487491237.db2.gz HUTMOCLIWKFOIS-UWVGGRQHSA-N -1 3 243.270 0.733 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1cn[n-]n1 ZINC000670442493 487491242 /nfs/dbraw/zinc/49/12/42/487491242.db2.gz HUTMOCLIWKFOIS-UWVGGRQHSA-N -1 3 243.270 0.733 20 0 BCADHM Nc1ccc2c(c1)CC[C@@H]2NC(=O)c1c[n-]nn1 ZINC000094092023 487514503 /nfs/dbraw/zinc/51/45/03/487514503.db2.gz ZWQSHNZLBLNKSE-JTQLQIEISA-N -1 3 243.270 0.804 20 0 BCADHM Nc1ccc2c(c1)CC[C@@H]2NC(=O)c1cnn[n-]1 ZINC000094092023 487514507 /nfs/dbraw/zinc/51/45/07/487514507.db2.gz ZWQSHNZLBLNKSE-JTQLQIEISA-N -1 3 243.270 0.804 20 0 BCADHM Nc1ccc2c(c1)CC[C@@H]2NC(=O)c1cn[n-]n1 ZINC000094092023 487514513 /nfs/dbraw/zinc/51/45/13/487514513.db2.gz ZWQSHNZLBLNKSE-JTQLQIEISA-N -1 3 243.270 0.804 20 0 BCADHM C[C@@H](Cn1cncn1)NCc1ncccc1[O-] ZINC000685421804 487520020 /nfs/dbraw/zinc/52/00/20/487520020.db2.gz WONFFPWLJBKHQN-VIFPVBQESA-N -1 3 233.275 0.557 20 0 BCADHM C[C@@H](CNC(=O)c1c[n-]nn1)c1ccncc1 ZINC000674130322 487524623 /nfs/dbraw/zinc/52/46/23/487524623.db2.gz WFDRFRKDVVWOSD-QMMMGPOBSA-N -1 3 231.259 0.733 20 0 BCADHM C[C@@H](CNC(=O)c1cnn[n-]1)c1ccncc1 ZINC000674130322 487524626 /nfs/dbraw/zinc/52/46/26/487524626.db2.gz WFDRFRKDVVWOSD-QMMMGPOBSA-N -1 3 231.259 0.733 20 0 BCADHM C[C@@H](CNC(=O)c1cn[n-]n1)c1ccncc1 ZINC000674130322 487524627 /nfs/dbraw/zinc/52/46/27/487524627.db2.gz WFDRFRKDVVWOSD-QMMMGPOBSA-N -1 3 231.259 0.733 20 0 BCADHM O=C([O-])[C@H]1COCCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662208060 488152351 /nfs/dbraw/zinc/15/23/51/488152351.db2.gz NUIDLAMFYFUUCD-LMLFDSFASA-N -1 3 225.288 0.818 20 0 BCADHM O=C1CN(Cc2nc(C3CCC3)no2)C(=O)[N-]1 ZINC000680692522 487633798 /nfs/dbraw/zinc/63/37/98/487633798.db2.gz TVQUOWLOYYWUAB-UHFFFAOYSA-N -1 3 236.231 0.389 20 0 BCADHM CCC[C@@H](C)NC(=O)C(=O)[N-]c1cnns1 ZINC000683235354 488136898 /nfs/dbraw/zinc/13/68/98/488136898.db2.gz IOSUEVSEGBZUDH-ZCFIWIBFSA-N -1 3 242.304 0.781 20 0 BCADHM CCCCNC(=O)N(CCN(C)C)CC(=O)[O-] ZINC000230743035 488150691 /nfs/dbraw/zinc/15/06/91/488150691.db2.gz WTVATIZCTHIDKA-UHFFFAOYSA-N -1 3 245.323 0.444 20 0 BCADHM Cc1nc(C(=O)[N-]c2nc(N(C)C)n[nH]2)co1 ZINC000672118557 488237338 /nfs/dbraw/zinc/23/73/38/488237338.db2.gz QNJGODXWIUZZIL-UHFFFAOYSA-N -1 3 236.235 0.419 20 0 BCADHM CC(C)(C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673546543 488295622 /nfs/dbraw/zinc/29/56/22/488295622.db2.gz KSAKSAYONVLTDL-UHFFFAOYSA-N -1 3 225.292 0.805 20 0 BCADHM CC(C)c1ncc([N-]S(C)(=O)=O)cn1 ZINC000684535840 488326432 /nfs/dbraw/zinc/32/64/32/488326432.db2.gz WLUKVPPESHGYLR-UHFFFAOYSA-N -1 3 215.278 0.972 20 0 BCADHM O=C(NC1CCOCC1)c1cccc2nn[n-]c21 ZINC000679640848 488361880 /nfs/dbraw/zinc/36/18/80/488361880.db2.gz NSIVDOXBASPGLK-UHFFFAOYSA-N -1 3 246.270 0.867 20 0 BCADHM O=C(NC1CCOCC1)c1cccc2[n-]nnc21 ZINC000679640848 488361882 /nfs/dbraw/zinc/36/18/82/488361882.db2.gz NSIVDOXBASPGLK-UHFFFAOYSA-N -1 3 246.270 0.867 20 0 BCADHM O=C(NC1CCOCC1)c1cccc2n[n-]nc21 ZINC000679640848 488361884 /nfs/dbraw/zinc/36/18/84/488361884.db2.gz NSIVDOXBASPGLK-UHFFFAOYSA-N -1 3 246.270 0.867 20 0 BCADHM CC(C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000336499304 490092834 /nfs/dbraw/zinc/09/28/34/490092834.db2.gz VXSSLXZVFAVVIN-VIFPVBQESA-N -1 3 224.308 0.586 20 0 BCADHM CNS(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000306668739 490645012 /nfs/dbraw/zinc/64/50/12/490645012.db2.gz WOIUMVUFBUDCBK-YFKPBYRVSA-N -1 3 214.237 0.228 20 0 BCADHM CC(C)[C@@H](CNC(=O)[C@@H]1CCCCN1)C(=O)[O-] ZINC000087513048 491089381 /nfs/dbraw/zinc/08/93/81/491089381.db2.gz FSYWNGQLNKYXKN-ZJUUUORDSA-N -1 3 242.319 0.602 20 0 BCADHM COc1ccc([N-]S(C)(=O)=O)c(O)c1 ZINC000228766657 491103530 /nfs/dbraw/zinc/10/35/30/491103530.db2.gz UVLYPEINPAAXSM-UHFFFAOYSA-N -1 3 217.246 0.772 20 0 BCADHM O=C(NCC1(CO)CC1)c1ccc2n[n-]nc2c1 ZINC000134207413 491162393 /nfs/dbraw/zinc/16/23/93/491162393.db2.gz AHQXXNAMPHUMER-UHFFFAOYSA-N -1 3 246.270 0.460 20 0 BCADHM C[C@H](CC(N)=O)NC(=O)/C=C/c1cncc([O-])c1 ZINC000493363229 533754932 /nfs/dbraw/zinc/75/49/32/533754932.db2.gz DYXFFTWGAUMQJB-UFUPEUMYSA-N -1 3 249.270 0.181 20 0 BCADHM COC(=O)NCC(=O)Nc1cc(F)ccc1[O-] ZINC000174873669 534043799 /nfs/dbraw/zinc/04/37/99/534043799.db2.gz CVVUAEAPRMGKKX-UHFFFAOYSA-N -1 3 242.206 0.826 20 0 BCADHM COC(=O)NCCCC(=O)[N-]OCC1CC1 ZINC000495842168 534098488 /nfs/dbraw/zinc/09/84/88/534098488.db2.gz LUCBBFGPOSYMTQ-UHFFFAOYSA-N -1 3 230.264 0.580 20 0 BCADHM NC(=O)[N-]C(=O)OCCCn1ccsc1=O ZINC000494155333 534387814 /nfs/dbraw/zinc/38/78/14/534387814.db2.gz SBNSLHMVMCACCA-UHFFFAOYSA-N -1 3 245.260 0.105 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]OCC(F)F ZINC000492891411 534802922 /nfs/dbraw/zinc/80/29/22/534802922.db2.gz CWHIKUDEUOAFRS-UPHRSURJSA-N -1 3 217.175 0.736 20 0 BCADHM CC(C)(O)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492445055 527347204 /nfs/dbraw/zinc/34/72/04/527347204.db2.gz ROTDSPZAXYDFMR-ARJAWSKDSA-N -1 3 236.271 0.688 20 0 BCADHM CC1(CNC(=O)/C=C/c2cncc([O-])c2)COC1 ZINC000492522782 527932544 /nfs/dbraw/zinc/93/25/44/527932544.db2.gz VCVKNYNEPDGADO-NSCUHMNNSA-N -1 3 248.282 0.953 20 0 BCADHM CC(C)OCCO[N-]C(=O)/C=C/c1ncc[nH]1 ZINC000493379328 527983924 /nfs/dbraw/zinc/98/39/24/527983924.db2.gz DIXWJXUOJGHHPE-ONEGZZNKSA-N -1 3 239.275 0.896 20 0 BCADHM CC[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000174960348 528389197 /nfs/dbraw/zinc/38/91/97/528389197.db2.gz MYDTZTBGZAMEOM-UHFFFAOYSA-N -1 3 231.321 0.837 20 0 BCADHM CCOC=CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000493273382 528496992 /nfs/dbraw/zinc/49/69/92/528496992.db2.gz XREFGHKYAWWYSJ-SNAWJCMRSA-N -1 3 239.231 0.685 20 0 BCADHM CCO/C=C\C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000493108899 528524810 /nfs/dbraw/zinc/52/48/10/528524810.db2.gz UERUSTUKBPWSMC-PGBBXKAQSA-N -1 3 239.275 0.165 20 0 BCADHM CCOC([O-])=NOC[C@@H]1CC2(CC2)C(=O)O1 ZINC000496483329 529084285 /nfs/dbraw/zinc/08/42/85/529084285.db2.gz YTCRKUBGOVKHAR-ZETCQYMHSA-N -1 3 229.232 0.760 20 0 BCADHM CCOC(=O)[N-]OC[C@@H]1CC2(CC2)C(=O)O1 ZINC000496483329 529084289 /nfs/dbraw/zinc/08/42/89/529084289.db2.gz YTCRKUBGOVKHAR-ZETCQYMHSA-N -1 3 229.232 0.760 20 0 BCADHM CCOC([O-])=NOCCc1cnn(C)c1 ZINC000497111283 529084900 /nfs/dbraw/zinc/08/49/00/529084900.db2.gz HYQADAWBZHMNBP-UHFFFAOYSA-N -1 3 213.237 0.640 20 0 BCADHM CCOC(=O)[N-]OCCc1cnn(C)c1 ZINC000497111283 529084902 /nfs/dbraw/zinc/08/49/02/529084902.db2.gz HYQADAWBZHMNBP-UHFFFAOYSA-N -1 3 213.237 0.640 20 0 BCADHM CCOC([O-])=NOC[C@H]1CC2(CC2)C(=O)O1 ZINC000496483328 529085031 /nfs/dbraw/zinc/08/50/31/529085031.db2.gz YTCRKUBGOVKHAR-SSDOTTSWSA-N -1 3 229.232 0.760 20 0 BCADHM CCOC(=O)[N-]OC[C@H]1CC2(CC2)C(=O)O1 ZINC000496483328 529085034 /nfs/dbraw/zinc/08/50/34/529085034.db2.gz YTCRKUBGOVKHAR-SSDOTTSWSA-N -1 3 229.232 0.760 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCN(C(=O)C(C)C)CC1 ZINC000262457887 536098506 /nfs/dbraw/zinc/09/85/06/536098506.db2.gz VMNGVLQOGHXBNP-SNVBAGLBSA-N -1 3 242.319 0.650 20 0 BCADHM COCCCNC(=O)c1csc(=O)[n-]1 ZINC000348978824 536587832 /nfs/dbraw/zinc/58/78/32/536587832.db2.gz SBWQSAYRPWUGBG-UHFFFAOYSA-N -1 3 216.262 0.615 20 0 BCADHM CSc1cc(NC([O-])=NOCCO)ncn1 ZINC000888954133 583159206 /nfs/dbraw/zinc/15/92/06/583159206.db2.gz GYUGNXOFNZMVLR-UHFFFAOYSA-N -1 3 244.276 0.244 20 0 BCADHM CSc1cc(NC(=O)[N-]OCCO)ncn1 ZINC000888954133 583159208 /nfs/dbraw/zinc/15/92/08/583159208.db2.gz GYUGNXOFNZMVLR-UHFFFAOYSA-N -1 3 244.276 0.244 20 0 BCADHM CCOC([O-])=NOCCc1cncn1C ZINC000853725660 588759476 /nfs/dbraw/zinc/75/94/76/588759476.db2.gz FKUJQHSOELVAFW-UHFFFAOYSA-N -1 3 213.237 0.640 20 0 BCADHM CCOC(=O)[N-]OCCc1cncn1C ZINC000853725660 588759477 /nfs/dbraw/zinc/75/94/77/588759477.db2.gz FKUJQHSOELVAFW-UHFFFAOYSA-N -1 3 213.237 0.640 20 0 BCADHM CCOC([O-])=NOC[C@@H](OC)[C@H]1CCOC1 ZINC000853727347 588759689 /nfs/dbraw/zinc/75/96/89/588759689.db2.gz JAHSWHBJHQYTIL-DTWKUNHWSA-N -1 3 233.264 0.716 20 0 BCADHM CCOC(=O)[N-]OC[C@@H](OC)[C@H]1CCOC1 ZINC000853727347 588759690 /nfs/dbraw/zinc/75/96/90/588759690.db2.gz JAHSWHBJHQYTIL-DTWKUNHWSA-N -1 3 233.264 0.716 20 0 BCADHM CC=CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854488819 588789275 /nfs/dbraw/zinc/78/92/75/588789275.db2.gz YDTGYKNJCBRBIN-RQOWECAXSA-N -1 3 209.249 0.335 20 0 BCADHM CC(C)[C@@](C)(O)C(=O)[N-]OC1CCN(C)CC1 ZINC000854357385 588785046 /nfs/dbraw/zinc/78/50/46/588785046.db2.gz CHSXEMNGLGLLDU-GFCCVEGCSA-N -1 3 244.335 0.535 20 0 BCADHM CCC1(O)CN(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000854381071 588785365 /nfs/dbraw/zinc/78/53/65/588785365.db2.gz YAJBPQVHWMHEGN-ONEGZZNKSA-N -1 3 248.282 0.784 20 0 BCADHM CCN1CC[C@@H]([N-]C(=O)C(F)(F)CC)C1=O ZINC000854385422 588785740 /nfs/dbraw/zinc/78/57/40/588785740.db2.gz HJPWPWGAGGHBSG-SSDOTTSWSA-N -1 3 234.246 0.769 20 0 BCADHM CCOC=CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854483423 588789428 /nfs/dbraw/zinc/78/94/28/588789428.db2.gz DNFQYXMZBSATPN-FNORWQNLSA-N -1 3 239.275 0.309 20 0 BCADHM CO[C@H](C)CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854487102 588789189 /nfs/dbraw/zinc/78/91/89/588789189.db2.gz GWWMCULLVDFPPR-MRVPVSSYSA-N -1 3 241.291 0.184 20 0 BCADHM Cn1ncc(CCC(=O)[N-]Oc2ccccc2)n1 ZINC000854537097 588791633 /nfs/dbraw/zinc/79/16/33/588791633.db2.gz LPOROYQFSYWJFK-UHFFFAOYSA-N -1 3 246.270 0.858 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)CCc1cn(C)nn1 ZINC000854602155 588797007 /nfs/dbraw/zinc/79/70/07/588797007.db2.gz NROLMTFFUVYTLR-VIFPVBQESA-N -1 3 240.307 0.842 20 0 BCADHM CCn1ncn([N-]C(=O)C(F)=C2CCC2)c1=O ZINC000854627176 588797701 /nfs/dbraw/zinc/79/77/01/588797701.db2.gz OUOMCHNNIARALQ-UHFFFAOYSA-N -1 3 240.238 0.542 20 0 BCADHM CCn1ncn([N-]C(=O)C2(C(F)F)CC2)c1=O ZINC000854627130 588797804 /nfs/dbraw/zinc/79/78/04/588797804.db2.gz OBFGNYNKUUYIEH-UHFFFAOYSA-N -1 3 246.217 0.180 20 0 BCADHM Cc1ccncc1CC(=O)[N-]OCCN(C)C ZINC000854690722 588801581 /nfs/dbraw/zinc/80/15/81/588801581.db2.gz IUGZSTMIVKSRLT-UHFFFAOYSA-N -1 3 237.303 0.542 20 0 BCADHM CCOC1(C(=O)[N-]OCCN(C)C)CCC1 ZINC000854690399 588801660 /nfs/dbraw/zinc/80/16/60/588801660.db2.gz BFTCIAFRYQYLCN-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM CO[C@H](C(=O)[N-]OCCN(C)C)C1CCCC1 ZINC000854690414 588801833 /nfs/dbraw/zinc/80/18/33/588801833.db2.gz BRUCFNJPTJRVRJ-NSHDSACASA-N -1 3 244.335 0.801 20 0 BCADHM CC(C)O[N-]C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000854753809 588805831 /nfs/dbraw/zinc/80/58/31/588805831.db2.gz HKWWJGLNZWIQKW-RKDXNWHRSA-N -1 3 223.276 0.980 20 0 BCADHM C[C@H](C(=O)[N-]OCCN(C)C)C(F)(F)F ZINC000854945853 588817970 /nfs/dbraw/zinc/81/79/70/588817970.db2.gz SAVCJIZYMCEWTO-ZCFIWIBFSA-N -1 3 228.214 0.794 20 0 BCADHM Cc1noc(C)c1CC(=O)[N-]OCCN(C)C ZINC000854947105 588818361 /nfs/dbraw/zinc/81/83/61/588818361.db2.gz GKEXYPXPGILITN-UHFFFAOYSA-N -1 3 241.291 0.443 20 0 BCADHM COC[C@H](OC)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000854991590 588820079 /nfs/dbraw/zinc/82/00/79/588820079.db2.gz FYDANPWOVKIRPC-RQJHMYQMSA-N -1 3 232.305 0.255 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@@H](O)[C@@H](F)C1 ZINC000890704733 582509499 /nfs/dbraw/zinc/50/94/99/582509499.db2.gz JGZDNEYIQHFURH-GXSJLCMTSA-N -1 3 239.246 0.937 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC[C@@H](O)[C@H](F)C1 ZINC000890711781 582511583 /nfs/dbraw/zinc/51/15/83/582511583.db2.gz QSPKVVHQLMHFSV-GHMZBOCLSA-N -1 3 239.246 0.937 20 0 BCADHM CCCO[N-]C(=O)[C@H]1CCn2cncc2C1 ZINC000844086420 582569693 /nfs/dbraw/zinc/56/96/93/582569693.db2.gz PAHVCDUHKXLRBD-VIFPVBQESA-N -1 3 223.276 0.903 20 0 BCADHM CCn1nnnc1[N-]C(=O)C1(CC)COC1 ZINC000891340787 582666818 /nfs/dbraw/zinc/66/68/18/582666818.db2.gz SHEUMNNVMQEEIC-UHFFFAOYSA-N -1 3 225.252 0.058 20 0 BCADHM CC[C@H](SC)C(=O)[N-]c1nnnn1CC ZINC000891340540 582666971 /nfs/dbraw/zinc/66/69/71/582666971.db2.gz QWVIVSBBWACVPE-LURJTMIESA-N -1 3 229.309 0.773 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@H](C)C(F)(F)F ZINC000891338864 582667102 /nfs/dbraw/zinc/66/71/02/582667102.db2.gz CLQCHTPAZSMDJE-SCSAIBSYSA-N -1 3 237.185 0.830 20 0 BCADHM CCn1nnnc1[N-]C(=O)C[C@H](C)COC ZINC000891340926 582667514 /nfs/dbraw/zinc/66/75/14/582667514.db2.gz VDBRSSBVOHHFRV-ZETCQYMHSA-N -1 3 227.268 0.304 20 0 BCADHM O=c1cc(NCc2nnc3n2CCC3)nc[n-]1 ZINC000891655243 582706759 /nfs/dbraw/zinc/70/67/59/582706759.db2.gz GAKGEQREDOIPFM-UHFFFAOYSA-N -1 3 232.247 0.332 20 0 BCADHM C[C@@]1(C(=O)Nc2ncccc2[O-])CCNC(=O)C1 ZINC000891685594 582710602 /nfs/dbraw/zinc/71/06/02/582710602.db2.gz REBCYCOJKJPOHG-GFCCVEGCSA-N -1 3 249.270 0.642 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cccc([O-])c2)C(=O)O1 ZINC000848078343 582748495 /nfs/dbraw/zinc/74/84/95/582748495.db2.gz SMGLLQBUWSQAKL-XVKPBYJWSA-N -1 3 235.239 0.826 20 0 BCADHM Cc1nc(N[C@H](C)Cn2cncn2)cc(=O)[n-]1 ZINC000892127926 582796816 /nfs/dbraw/zinc/79/68/16/582796816.db2.gz YOSZSLFVHQJUMM-SSDOTTSWSA-N -1 3 234.263 0.583 20 0 BCADHM Cc1nc2n(n1)C[C@@H](Nc1cc(=O)[n-]cn1)CC2 ZINC000892285955 582827247 /nfs/dbraw/zinc/82/72/47/582827247.db2.gz BFNVOKHJGNHXBS-QMMMGPOBSA-N -1 3 246.274 0.509 20 0 BCADHM COc1ccc([O-])c(C(=O)N2CC[C@@H]2CO)c1 ZINC000889132715 582831828 /nfs/dbraw/zinc/83/18/28/582831828.db2.gz OCFLFJBXKHFTTA-MRVPVSSYSA-N -1 3 237.255 0.608 20 0 BCADHM CS/C=C\C(=O)[N-]OCCN1CCCC1=O ZINC000856041054 588858273 /nfs/dbraw/zinc/85/82/73/588858273.db2.gz IWMVHJMICJSRRV-YWEYNIOJSA-N -1 3 244.316 0.533 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)N[N-]C(=O)c1ccoc1 ZINC000142995668 582877565 /nfs/dbraw/zinc/87/75/65/582877565.db2.gz PMCVNSLFEHGHJH-XPUUQOCRSA-N -1 3 208.217 0.697 20 0 BCADHM Cn1cc([C@@H](O)CNc2cc(=O)[n-]cn2)cn1 ZINC000892674023 582948720 /nfs/dbraw/zinc/94/87/20/582948720.db2.gz FAKPACWSYXHEAH-QMMMGPOBSA-N -1 3 235.247 0.061 20 0 BCADHM O=C1CC2(CN1)CCN(c1cc(=O)[n-]cn1)CC2 ZINC000892758420 582976808 /nfs/dbraw/zinc/97/68/08/582976808.db2.gz QWHJBUXZYKCNKP-UHFFFAOYSA-N -1 3 248.286 0.289 20 0 BCADHM CC[C@H](O)CC(=O)[N-]OCC1CCC1 ZINC000856351570 588870063 /nfs/dbraw/zinc/87/00/63/588870063.db2.gz JHONAOZMCOYCLP-VIFPVBQESA-N -1 3 201.266 0.995 20 0 BCADHM O=c1cc(NCCCO[C@H]2CCOC2)nc[n-]1 ZINC000892886849 583004029 /nfs/dbraw/zinc/00/40/29/583004029.db2.gz YMOLBIQKMZGQSA-VIFPVBQESA-N -1 3 239.275 0.790 20 0 BCADHM Cc1nc(N(C)CCc2cnccn2)cc(=O)[n-]1 ZINC000893090080 583047559 /nfs/dbraw/zinc/04/75/59/583047559.db2.gz QHHZCZIXJHPGTQ-UHFFFAOYSA-N -1 3 245.286 0.960 20 0 BCADHM CCO[C@@H]1C[C@@H](Nc2cc(=O)[n-]cn2)[C@H]1OC ZINC000893179318 583064833 /nfs/dbraw/zinc/06/48/33/583064833.db2.gz ORGHRUILBBBWMO-SOCHQFKDSA-N -1 3 239.275 0.787 20 0 BCADHM CC1(C(=O)N2CCCc3c(=O)[n-]cnc32)COC1 ZINC000893206464 583070940 /nfs/dbraw/zinc/07/09/40/583070940.db2.gz CMJCWTOCVNHVGP-UHFFFAOYSA-N -1 3 249.270 0.498 20 0 BCADHM CC1(C)CC(C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC000854506265 583086700 /nfs/dbraw/zinc/08/67/00/583086700.db2.gz AAGDYNXTEXIXBV-UHFFFAOYSA-N -1 3 234.263 0.827 20 0 BCADHM O=C([N-]OCC1CCC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000856342904 588868245 /nfs/dbraw/zinc/86/82/45/588868245.db2.gz ZZEINESGPNPGOO-MYJAWHEDSA-N -1 3 211.261 0.727 20 0 BCADHM Cc1ccc(CCC(=O)[N-]OCCO)o1 ZINC000776582114 583124140 /nfs/dbraw/zinc/12/41/40/583124140.db2.gz PNRVTEJGHYQQND-UHFFFAOYSA-N -1 3 213.233 0.561 20 0 BCADHM O=C1CCCN1[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000893448759 583145290 /nfs/dbraw/zinc/14/52/90/583145290.db2.gz HLYFNSKJLOWLSZ-SECBINFHSA-N -1 3 248.286 0.383 20 0 BCADHM O=c1cc(N2CCc3cc[nH]c(=O)c3C2)nc[n-]1 ZINC000893481784 583151968 /nfs/dbraw/zinc/15/19/68/583151968.db2.gz ZFWCXMJVAAEDFD-UHFFFAOYSA-N -1 3 244.254 0.846 20 0 BCADHM CCCCNC(=O)[C@@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000218290630 583173029 /nfs/dbraw/zinc/17/30/29/583173029.db2.gz QRUXJBCCEHERPY-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM O=C(NN1CCCC1=O)c1cc(F)c[n-]c1=O ZINC000857168292 588891311 /nfs/dbraw/zinc/89/13/11/588891311.db2.gz BSSRAJGKNCLDTB-UHFFFAOYSA-N -1 3 239.206 0.194 20 0 BCADHM Cc1nc(N2CC[C@@H](O)[C@H]2C)cc(=O)[n-]1 ZINC000894105905 583306329 /nfs/dbraw/zinc/30/63/29/583306329.db2.gz UKRRTCCBODMYOJ-HTRCEHHLSA-N -1 3 209.249 0.450 20 0 BCADHM CCO[C@@H]1COC[C@H]1Nc1cc(=O)[n-]c(C)n1 ZINC000894112743 583309123 /nfs/dbraw/zinc/30/91/23/583309123.db2.gz FDKKHXKWNRIKJS-RKDXNWHRSA-N -1 3 239.275 0.706 20 0 BCADHM CCC[C@H](O)[C@@H](CO)Nc1cc(=O)[n-]c(C)n1 ZINC000894191010 583334929 /nfs/dbraw/zinc/33/49/29/583334929.db2.gz VATNQWYHIBZXIH-BDAKNGLRSA-N -1 3 241.291 0.424 20 0 BCADHM CCCN(C)CC(=O)[N-]OCc1cccnc1 ZINC000747578499 583363607 /nfs/dbraw/zinc/36/36/07/583363607.db2.gz HXGPJQREXCHAJZ-UHFFFAOYSA-N -1 3 237.303 0.971 20 0 BCADHM C[C@H]1CN(C(=O)c2ccc(N)cc2[O-])[C@@H](C)CN1 ZINC000841849377 583367477 /nfs/dbraw/zinc/36/74/77/583367477.db2.gz PQTDTPCKBOIINA-IUCAKERBSA-N -1 3 249.314 0.797 20 0 BCADHM CCN(OC)C(=O)CNc1cc(=O)[n-]cn1 ZINC000894357410 583436067 /nfs/dbraw/zinc/43/60/67/583436067.db2.gz VUBRLSKTUZTIJX-UHFFFAOYSA-N -1 3 226.236 0.004 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000857285426 588903499 /nfs/dbraw/zinc/90/34/99/588903499.db2.gz BOQGBOCRQFRQLU-JBLDHEPKSA-N -1 3 243.303 0.478 20 0 BCADHM COCCCC(=O)[N-]OC(C)(C)CO ZINC000857284896 588903779 /nfs/dbraw/zinc/90/37/79/588903779.db2.gz KQRNUTMGBROTJV-UHFFFAOYSA-N -1 3 205.254 0.232 20 0 BCADHM CC(C)(CO)ONC(=O)c1ccccc1[O-] ZINC000857286822 588903821 /nfs/dbraw/zinc/90/38/21/588903821.db2.gz HKKJSJXKFUJRKK-UHFFFAOYSA-N -1 3 225.244 0.825 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C[C@H]1CCCOC1 ZINC000857285804 588903897 /nfs/dbraw/zinc/90/38/97/588903897.db2.gz LHYRIXFRUNIXGN-MNOVXSKESA-N -1 3 245.319 0.868 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)c1cccnc1F ZINC000857286271 588904057 /nfs/dbraw/zinc/90/40/57/588904057.db2.gz WRWHAWFXFJYNCQ-SECBINFHSA-N -1 3 242.250 0.899 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)c1ccncc1F ZINC000857286362 588904146 /nfs/dbraw/zinc/90/41/46/588904146.db2.gz ZAGSGMHESWNJLY-JTQLQIEISA-N -1 3 242.250 0.899 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CC(C)(C)O ZINC000857285883 588904167 /nfs/dbraw/zinc/90/41/67/588904167.db2.gz MUTBCQPAXPLXBI-QMMMGPOBSA-N -1 3 219.281 0.212 20 0 BCADHM CC(=O)N1CC[C@@H](Nc2cc(=O)[n-]cn2)C1 ZINC000894677128 583504612 /nfs/dbraw/zinc/50/46/12/583504612.db2.gz SUNZYMCSWMVYEC-MRVPVSSYSA-N -1 3 222.248 0.215 20 0 BCADHM CCn1ncc(CNc2cc(=O)[n-]cn2)n1 ZINC000894696459 583509306 /nfs/dbraw/zinc/50/93/06/583509306.db2.gz AVWPEAYGHMFFPV-UHFFFAOYSA-N -1 3 220.236 0.406 20 0 BCADHM CCn1nncc1CNc1cc(=O)[n-]cn1 ZINC000894701132 583509856 /nfs/dbraw/zinc/50/98/56/583509856.db2.gz YLSFQADZQUWAAV-UHFFFAOYSA-N -1 3 220.236 0.406 20 0 BCADHM O=c1cc(NC[C@@H](O)[C@@H]2CCCO2)nc[n-]1 ZINC000894726842 583513327 /nfs/dbraw/zinc/51/33/27/583513327.db2.gz WKHAUZOTMPGQLJ-SFYZADRCSA-N -1 3 225.248 0.134 20 0 BCADHM CON(C)C(=O)[C@H](C)Nc1cc(=O)[n-]cn1 ZINC000894815166 583524411 /nfs/dbraw/zinc/52/44/11/583524411.db2.gz HRHYBTUZZHCUQF-LURJTMIESA-N -1 3 226.236 0.002 20 0 BCADHM CC(F)(F)C(=O)[N-][C@]1(C)CCNC1=O ZINC000889028961 583544798 /nfs/dbraw/zinc/54/47/98/583544798.db2.gz JFYFDGGWVTZNDS-SSDOTTSWSA-N -1 3 206.192 0.036 20 0 BCADHM O=C1NCCC12CCN(c1cc(=O)[n-]cn1)CC2 ZINC000895061022 583577181 /nfs/dbraw/zinc/57/71/81/583577181.db2.gz BHHSBDHRTSMMDT-UHFFFAOYSA-N -1 3 248.286 0.289 20 0 BCADHM CC[C@@H](OC(=O)c1ccc([O-])cc1)C(N)=O ZINC000726991546 583584508 /nfs/dbraw/zinc/58/45/08/583584508.db2.gz ZZWZFZSMDDHEKM-SECBINFHSA-N -1 3 223.228 0.813 20 0 BCADHM CCO[N-]C(=O)CCCN(C)C(=O)OCC ZINC000895525890 583684574 /nfs/dbraw/zinc/68/45/74/583684574.db2.gz CVENPUIKDSNOIF-UHFFFAOYSA-N -1 3 232.280 0.923 20 0 BCADHM CCO[N-]C(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000895526054 583684682 /nfs/dbraw/zinc/68/46/82/583684682.db2.gz GLSXYJIXHCGSEL-JTQLQIEISA-N -1 3 234.255 0.929 20 0 BCADHM CO[N-]C(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1 ZINC000895622058 583697285 /nfs/dbraw/zinc/69/72/85/583697285.db2.gz GOUMYXRAOLOWST-BDAKNGLRSA-N -1 3 245.275 0.365 20 0 BCADHM COC(C)(C)[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000895784348 583727043 /nfs/dbraw/zinc/72/70/43/583727043.db2.gz ZMRULNGWGFMBOR-SSDOTTSWSA-N -1 3 235.291 0.952 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2C[C@@H](C)CO2)[n-]1 ZINC000896001442 583760532 /nfs/dbraw/zinc/76/05/32/583760532.db2.gz YMXHMINNBCKYTE-PHDIDXHHSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2C[C@@H](C)CO2)n1 ZINC000896001442 583760535 /nfs/dbraw/zinc/76/05/35/583760535.db2.gz YMXHMINNBCKYTE-PHDIDXHHSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nc(NC(=O)[C@H]2C[C@@H](C)CO2)n[n-]1 ZINC000896001442 583760536 /nfs/dbraw/zinc/76/05/36/583760536.db2.gz YMXHMINNBCKYTE-PHDIDXHHSA-N -1 3 242.304 0.890 20 0 BCADHM Cc1nc(NCC[C@@H]2CNC(=O)C2)cc(=O)[n-]1 ZINC000896134887 583775009 /nfs/dbraw/zinc/77/50/09/583775009.db2.gz BXHRKHCNRFFBTK-QMMMGPOBSA-N -1 3 236.275 0.429 20 0 BCADHM CN(C)C1(c2nc(-c3cc(=O)[n-]cn3)no2)CC1 ZINC000896702213 583823308 /nfs/dbraw/zinc/82/33/08/583823308.db2.gz XLHIZFLUCXGDPO-UHFFFAOYSA-N -1 3 247.258 0.783 20 0 BCADHM O=c1cc(NCc2noc3c2COCC3)nc[n-]1 ZINC000896713630 583826105 /nfs/dbraw/zinc/82/61/05/583826105.db2.gz YBUFVHFIUVSABN-UHFFFAOYSA-N -1 3 248.242 0.855 20 0 BCADHM CO[N-]C(=O)CN[C@@H]1CC[C@H]1SC ZINC000896923741 583858590 /nfs/dbraw/zinc/85/85/90/583858590.db2.gz HNZMDJRTBDSDFK-RNFRBKRXSA-N -1 3 204.295 0.148 20 0 BCADHM CO[N-]C(=O)CN[C@H]1CC[C@@H]1SC ZINC000896923739 583858719 /nfs/dbraw/zinc/85/87/19/583858719.db2.gz HNZMDJRTBDSDFK-BQBZGAKWSA-N -1 3 204.295 0.148 20 0 BCADHM CO[N-]C(=O)CNCc1ccnc(F)c1C ZINC000896924558 583857562 /nfs/dbraw/zinc/85/75/62/583857562.db2.gz NIDPFOMYIWBJCB-UHFFFAOYSA-N -1 3 227.239 0.296 20 0 BCADHM CO[N-]C(=O)CNCc1cnc(F)c(C)c1 ZINC000896924039 583858818 /nfs/dbraw/zinc/85/88/18/583858818.db2.gz JPKMSNKIOJMWAO-UHFFFAOYSA-N -1 3 227.239 0.296 20 0 BCADHM CO[N-]C(=O)C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000896927655 583859600 /nfs/dbraw/zinc/85/96/00/583859600.db2.gz SOVZTKJZBONDJO-UHFFFAOYSA-N -1 3 228.223 0.299 20 0 BCADHM COC1(C(F)(F)F)CN(c2cc(=O)[n-]cn2)C1 ZINC000897102815 583881023 /nfs/dbraw/zinc/88/10/23/583881023.db2.gz NAENAEDJDGKEFY-UHFFFAOYSA-N -1 3 249.192 0.950 20 0 BCADHM CO[C@H]1CC[C@H]1N(C)c1cc(=O)[n-]cn1 ZINC000897142917 583884076 /nfs/dbraw/zinc/88/40/76/583884076.db2.gz VLAKBFQIMHGSLC-SFYZADRCSA-N -1 3 209.249 0.796 20 0 BCADHM CO[C@H]1CC[C@@H]1N(C)c1cc(=O)[n-]cn1 ZINC000897142918 583884109 /nfs/dbraw/zinc/88/41/09/583884109.db2.gz VLAKBFQIMHGSLC-YUMQZZPRSA-N -1 3 209.249 0.796 20 0 BCADHM CO[C@@H]1CC[C@H]1N(C)c1nc2nncc-2c(O)[n-]1 ZINC000897148842 583884386 /nfs/dbraw/zinc/88/43/86/583884386.db2.gz JXDOAHCFDRISHW-HTQZYQBOSA-N -1 3 249.274 0.672 20 0 BCADHM CC(=O)OC[C@@H](C)NCc1cncc([O-])c1 ZINC000897305547 583913142 /nfs/dbraw/zinc/91/31/42/583913142.db2.gz XBBPXMXXWAULAH-MRVPVSSYSA-N -1 3 224.260 0.828 20 0 BCADHM CCNC(=O)COC(=O)c1ccc([O-])cc1 ZINC000003507749 583914065 /nfs/dbraw/zinc/91/40/65/583914065.db2.gz YHUQUNBOXVFMIC-UHFFFAOYSA-N -1 3 223.228 0.685 20 0 BCADHM O=C1OCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000144739101 583928515 /nfs/dbraw/zinc/92/85/15/583928515.db2.gz DIWSZZKWBRHAOU-LURJTMIESA-N -1 3 247.297 0.342 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H]1C[C@H](C)CO1 ZINC000897694909 584040868 /nfs/dbraw/zinc/04/08/68/584040868.db2.gz SIOJENCISOMEJR-YUMQZZPRSA-N -1 3 224.264 0.662 20 0 BCADHM O=C1[N-]C(=O)C2(CN(CC3CCCCC3)C2)N1 ZINC000897905959 584060203 /nfs/dbraw/zinc/06/02/03/584060203.db2.gz OQOLTSZBBLKEOU-UHFFFAOYSA-N -1 3 237.303 0.461 20 0 BCADHM CCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898207604 584091800 /nfs/dbraw/zinc/09/18/00/584091800.db2.gz NWROKIQKHIDMOC-SSDOTTSWSA-N -1 3 209.249 0.841 20 0 BCADHM CCOCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205896 584091935 /nfs/dbraw/zinc/09/19/35/584091935.db2.gz SOLVUJKBVMMJJO-QMMMGPOBSA-N -1 3 239.275 0.468 20 0 BCADHM O=C(C1CC(=O)C1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217762 584092666 /nfs/dbraw/zinc/09/26/66/584092666.db2.gz RDIXDQFQTYJHFL-SSDOTTSWSA-N -1 3 249.270 0.410 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000898731707 584155721 /nfs/dbraw/zinc/15/57/21/584155721.db2.gz GCFURKONMCXPMO-ZNSHCXBVSA-N -1 3 249.314 0.661 20 0 BCADHM CC[C@H](OC)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898730705 584155736 /nfs/dbraw/zinc/15/57/36/584155736.db2.gz BLFUKYJWGFOCRN-IUCAKERBSA-N -1 3 241.291 0.040 20 0 BCADHM CC(C)(C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898731445 584155865 /nfs/dbraw/zinc/15/58/65/584155865.db2.gz OLRWWLQEAUPBKB-MRVPVSSYSA-N -1 3 225.292 0.661 20 0 BCADHM Cc1occc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898728009 584155874 /nfs/dbraw/zinc/15/58/74/584155874.db2.gz GIARPWKVKISSAN-SECBINFHSA-N -1 3 249.270 0.830 20 0 BCADHM Cc1cocc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898742864 584156998 /nfs/dbraw/zinc/15/69/98/584156998.db2.gz KNHIWWMVIPEKFC-VIFPVBQESA-N -1 3 249.270 0.830 20 0 BCADHM CC(C)[C@H](F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739417 584157440 /nfs/dbraw/zinc/15/74/40/584157440.db2.gz JBHCMUTXEUCAJU-IUCAKERBSA-N -1 3 243.282 0.609 20 0 BCADHM Cc1cc[nH]c1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898738570 584157568 /nfs/dbraw/zinc/15/75/68/584157568.db2.gz BQTZECPTSXAVFR-SECBINFHSA-N -1 3 248.286 0.565 20 0 BCADHM Cc1cccc(CO[N-]C(=O)[C@H]2C[C@@H](O)C2)n1 ZINC000898931650 584166360 /nfs/dbraw/zinc/16/63/60/584166360.db2.gz YEUHTYVCKHKPSD-JGZJWPJOSA-N -1 3 236.271 0.709 20 0 BCADHM O=C(C[C@H]1CCC2(CCC2)O1)[N-]OCCO ZINC000898939874 584167213 /nfs/dbraw/zinc/16/72/13/584167213.db2.gz YCYTYLXAZBDYEZ-SECBINFHSA-N -1 3 229.276 0.518 20 0 BCADHM Cc1[n-]n(-c2cnnn2C)c(=O)c1C(C)C ZINC000899356601 584202185 /nfs/dbraw/zinc/20/21/85/584202185.db2.gz NMMRJVSDWXTPHO-SECBINFHSA-N -1 3 221.264 0.810 20 0 BCADHM CC(C)(O)Cn1[n-]cc2c(=O)cccc-2c1=O ZINC000899357052 584205980 /nfs/dbraw/zinc/20/59/80/584205980.db2.gz AIGIZXJGHRJRIN-UHFFFAOYSA-N -1 3 234.255 0.873 20 0 BCADHM CC(C)(O)Cn1ncc2c([O-])cccc2c1=O ZINC000899357052 584205983 /nfs/dbraw/zinc/20/59/83/584205983.db2.gz AIGIZXJGHRJRIN-UHFFFAOYSA-N -1 3 234.255 0.873 20 0 BCADHM CCNC(=S)NCc1cncc([O-])c1 ZINC000899608689 584221316 /nfs/dbraw/zinc/22/13/16/584221316.db2.gz FYMQHSHRHXEBLS-UHFFFAOYSA-N -1 3 211.290 0.771 20 0 BCADHM Cn1nc2c(c1CNC1(C(=O)[O-])CC1)CCC2 ZINC000900021410 584267545 /nfs/dbraw/zinc/26/75/45/584267545.db2.gz BTUQFQGYSYGXBD-UHFFFAOYSA-N -1 3 235.287 0.616 20 0 BCADHM CCON(CC)C(=O)C[N-]c1nnc(C)o1 ZINC000858680417 588973198 /nfs/dbraw/zinc/97/31/98/588973198.db2.gz IDKDMTMJQKUOBO-UHFFFAOYSA-N -1 3 228.252 0.590 20 0 BCADHM C[C@@H](NC(=O)[C@@H](N)C1CCCCCC1)C(=O)[O-] ZINC000900455120 584313490 /nfs/dbraw/zinc/31/34/90/584313490.db2.gz YFLIZNHVGYUQKN-SCZZXKLOSA-N -1 3 242.319 0.873 20 0 BCADHM CC[C@@H](C(=O)NCc1cncc([O-])c1)[C@H](C)O ZINC000900719418 584344374 /nfs/dbraw/zinc/34/43/74/584344374.db2.gz MQUSPLCVGLXKMJ-GZMMTYOYSA-N -1 3 238.287 0.810 20 0 BCADHM CCN[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000901031946 584375837 /nfs/dbraw/zinc/37/58/37/584375837.db2.gz AWHWMCJQUPXKRU-QMMMGPOBSA-N -1 3 248.348 0.373 20 0 BCADHM CCNCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000901018906 584377222 /nfs/dbraw/zinc/37/72/22/584377222.db2.gz MFRWEJWGWFNBOX-UHFFFAOYSA-N -1 3 248.348 0.375 20 0 BCADHM C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)CCN)C1 ZINC000901100368 584381941 /nfs/dbraw/zinc/38/19/41/584381941.db2.gz WNLMVLJXYKAAEN-IUCAKERBSA-N -1 3 248.348 0.217 20 0 BCADHM CCC(C)(C)CC(=O)[N-]S(=O)(=O)CCN ZINC000901098333 584385286 /nfs/dbraw/zinc/38/52/86/584385286.db2.gz NCUPBYVSIFSZEU-UHFFFAOYSA-N -1 3 236.337 0.217 20 0 BCADHM CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)CCN ZINC000901101304 584388285 /nfs/dbraw/zinc/38/82/85/584388285.db2.gz LEEATUXKEWPRTB-JGVFFNPUSA-N -1 3 236.337 0.073 20 0 BCADHM CC[C@H]1CN(CC(=O)[O-])CCN1CCOC ZINC000116396176 588979738 /nfs/dbraw/zinc/97/97/38/588979738.db2.gz LZKHBHJHAUPGGZ-JTQLQIEISA-N -1 3 230.308 0.114 20 0 BCADHM COC[C@@]1(C(=O)[N-]C2=NCCS2)CCOC1 ZINC000901155407 584392324 /nfs/dbraw/zinc/39/23/24/584392324.db2.gz UUVHSCMTOAEFHA-JTQLQIEISA-N -1 3 244.316 0.259 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@@H](O)C(C)(C)O ZINC000901293928 584423134 /nfs/dbraw/zinc/42/31/34/584423134.db2.gz NQTNPWZBSWIMEA-SNVBAGLBSA-N -1 3 239.271 0.771 20 0 BCADHM CCOC(=O)c1cc(NC(=O)CCF)n[n-]1 ZINC000901340405 584427830 /nfs/dbraw/zinc/42/78/30/584427830.db2.gz XQPVGDVQWKRDED-UHFFFAOYSA-N -1 3 229.211 0.885 20 0 BCADHM CCOC(=O)c1cc(NC(=O)CCF)[n-]n1 ZINC000901340405 584427831 /nfs/dbraw/zinc/42/78/31/584427831.db2.gz XQPVGDVQWKRDED-UHFFFAOYSA-N -1 3 229.211 0.885 20 0 BCADHM CC/C=C(\F)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000901423207 584442178 /nfs/dbraw/zinc/44/21/78/584442178.db2.gz BMEOZVFETMSJDC-UITAMQMPSA-N -1 3 246.282 0.725 20 0 BCADHM CC[C@@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)N(C)C ZINC000901429237 584444266 /nfs/dbraw/zinc/44/42/66/584444266.db2.gz TXIBCMPKNADOHS-DTWKUNHWSA-N -1 3 230.308 0.552 20 0 BCADHM C[C@H](C(=O)[O-])N(C)C(=O)CN(C)CC(C)(C)C ZINC000901450211 584448361 /nfs/dbraw/zinc/44/83/61/584448361.db2.gz MHNTYOCXOGYAQT-SECBINFHSA-N -1 3 244.335 0.896 20 0 BCADHM Cn1ccnc1CN[C@@](C)(CCF)C(=O)[O-] ZINC000901918372 584504105 /nfs/dbraw/zinc/50/41/05/584504105.db2.gz ANTKOXGWTLFCEY-JTQLQIEISA-N -1 3 229.255 0.713 20 0 BCADHM C[C@](CCF)(NCc1cc[nH]n1)C(=O)[O-] ZINC000901919692 584504408 /nfs/dbraw/zinc/50/44/08/584504408.db2.gz RWOJGDUYYFOAJR-SECBINFHSA-N -1 3 215.228 0.702 20 0 BCADHM CC[C@@](C)(CN1C[C@@H](C)O[C@H](C(=O)[O-])C1)OC ZINC000901930842 584508026 /nfs/dbraw/zinc/50/80/26/584508026.db2.gz JIYXFKMLMMWTCV-SCVCMEIPSA-N -1 3 245.319 0.975 20 0 BCADHM CC[C@@H](C(=O)NC[C@H](C(=O)[O-])C(C)C)N(C)C ZINC000902023755 584512764 /nfs/dbraw/zinc/51/27/64/584512764.db2.gz LHMGBOHIJBRPIN-UWVGGRQHSA-N -1 3 244.335 0.800 20 0 BCADHM CC[C@H](C(=O)N(CC)[C@@H](C)C(=O)[O-])N(C)C ZINC000902044727 584516188 /nfs/dbraw/zinc/51/61/88/584516188.db2.gz ASPWIFDGZOYXPG-DTWKUNHWSA-N -1 3 230.308 0.648 20 0 BCADHM C[C@@H]1C[C@H]1c1nnc([N-]Cc2ncnn2C)o1 ZINC000902151938 584531135 /nfs/dbraw/zinc/53/11/35/584531135.db2.gz XSAJZAFAKFHWHI-RNFRBKRXSA-N -1 3 234.263 0.934 20 0 BCADHM Cn1c(=O)[n-]nc1SCCOC1CC1 ZINC000902202992 584537965 /nfs/dbraw/zinc/53/79/65/584537965.db2.gz UNBOINTXYBSHGB-UHFFFAOYSA-N -1 3 215.278 0.792 20 0 BCADHM CON1CC[C@@H](O[N-]C(=O)C(C)(C)C)C1=O ZINC000902238993 584543723 /nfs/dbraw/zinc/54/37/23/584543723.db2.gz LAKWWILNTIZTEA-SSDOTTSWSA-N -1 3 230.264 0.243 20 0 BCADHM CCOC([O-])=NOCC[C@H]1CCNC1=O ZINC000902449498 584606380 /nfs/dbraw/zinc/60/63/80/584606380.db2.gz AKTUGHZIBJKVES-SSDOTTSWSA-N -1 3 216.237 0.190 20 0 BCADHM CCOC(=O)[N-]OCC[C@H]1CCNC1=O ZINC000902449498 584606381 /nfs/dbraw/zinc/60/63/81/584606381.db2.gz AKTUGHZIBJKVES-SSDOTTSWSA-N -1 3 216.237 0.190 20 0 BCADHM C[C@H](O)[C@@H](O)CNCc1cc([O-])cc(Cl)c1 ZINC000902632511 584647700 /nfs/dbraw/zinc/64/77/00/584647700.db2.gz NXQSWMHGZYJMNU-CPCISQLKSA-N -1 3 245.706 0.877 20 0 BCADHM Cn1c(=O)[n-]nc1SCCO[C@H]1CCOC1 ZINC000902695297 584656831 /nfs/dbraw/zinc/65/68/31/584656831.db2.gz BTHKISSMWZKIID-ZETCQYMHSA-N -1 3 245.304 0.418 20 0 BCADHM CCOC(=O)c1csc(CO[N-]C(C)=O)n1 ZINC000902703211 584658739 /nfs/dbraw/zinc/65/87/39/584658739.db2.gz AZHBJIKFDHVUJC-UHFFFAOYSA-N -1 3 244.272 0.888 20 0 BCADHM CC(=O)[N-]OC[C@H]1COc2ccccc2O1 ZINC000902703253 584659071 /nfs/dbraw/zinc/65/90/71/584659071.db2.gz CKIZLQYAWOFCNL-SECBINFHSA-N -1 3 223.228 0.894 20 0 BCADHM CCS(=O)(=O)[N-]c1c2ncnn2ccc1C ZINC000903129369 584730119 /nfs/dbraw/zinc/73/01/19/584730119.db2.gz USYWWZNNXDKFHW-UHFFFAOYSA-N -1 3 240.288 0.799 20 0 BCADHM CCCS(=O)(=O)[N-]c1cnc2nccn2c1 ZINC000903190676 584736046 /nfs/dbraw/zinc/73/60/46/584736046.db2.gz CQTGNPOJLWKGAM-UHFFFAOYSA-N -1 3 240.288 0.881 20 0 BCADHM CC(C)C[C@H](C(=O)[O-])N1CC[C@H](O)[C@H](F)C1 ZINC000903712123 584793013 /nfs/dbraw/zinc/79/30/13/584793013.db2.gz FLVIEZPPSVLRPC-BBBLOLIVSA-N -1 3 233.283 0.890 20 0 BCADHM O=C([O-])[C@]1(NCc2cn[nH]c2)CCSC1 ZINC000904007500 584837015 /nfs/dbraw/zinc/83/70/15/584837015.db2.gz KUHISMNPVIXYKY-VIFPVBQESA-N -1 3 227.289 0.460 20 0 BCADHM Cc1c[nH]nc1CNC1(C(=O)[O-])CCOCC1 ZINC000904010335 584837417 /nfs/dbraw/zinc/83/74/17/584837417.db2.gz TZQZOGYGKWQMBP-UHFFFAOYSA-N -1 3 239.275 0.442 20 0 BCADHM COC[C@@](C)(NCc1ccc(F)nc1)C(=O)[O-] ZINC000904009766 584837585 /nfs/dbraw/zinc/83/75/85/584837585.db2.gz IZTANZVCONZQJL-LLVKDONJSA-N -1 3 242.250 0.800 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@@H]1CCCC1(F)F ZINC000904189771 584848613 /nfs/dbraw/zinc/84/86/13/584848613.db2.gz ZIHABFMYBGSHEP-LURJTMIESA-N -1 3 245.233 0.974 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000904191171 584848641 /nfs/dbraw/zinc/84/86/41/584848641.db2.gz OLHMNTLENYNUIN-XLPZGREQSA-N -1 3 221.264 0.585 20 0 BCADHM C[C@@H](Oc1ccccn1)C(=O)[N-]c1nnnn1C ZINC000904190681 584848657 /nfs/dbraw/zinc/84/86/57/584848657.db2.gz CRCFBFYTRJICOR-SSDOTTSWSA-N -1 3 248.246 0.011 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[N-]c1nnnn1C ZINC000904190476 584848724 /nfs/dbraw/zinc/84/87/24/584848724.db2.gz HXXLGCWDEQUCRR-ULAWRXDQSA-N -1 3 239.279 0.208 20 0 BCADHM C[C@@H]1CCCC[C@H]1C(=O)[N-]c1nnnn1C ZINC000904191853 584849179 /nfs/dbraw/zinc/84/91/79/584849179.db2.gz QODIKNVFKAIJOB-HTQZYQBOSA-N -1 3 223.280 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1CC2(CCC2)C1 ZINC000904192048 584849379 /nfs/dbraw/zinc/84/93/79/584849379.db2.gz YEHKULUGSYANTQ-UHFFFAOYSA-N -1 3 221.264 0.729 20 0 BCADHM CCC(C)(C)OCC(=O)[N-]c1nnnn1C ZINC000904191589 584849507 /nfs/dbraw/zinc/84/95/07/584849507.db2.gz LZCZLWUAAAMQOO-UHFFFAOYSA-N -1 3 227.268 0.354 20 0 BCADHM C[C@@H](CC(=O)[N-]c1nnnn1C)[C@@H]1CCCO1 ZINC000904191372 584849530 /nfs/dbraw/zinc/84/95/30/584849530.db2.gz RKLLDGZUKQSYEM-YUMQZZPRSA-N -1 3 239.279 0.354 20 0 BCADHM COC[C@@H](C)[C@@H](C)C(=O)[N-]c1nnnn1C ZINC000904193737 584849675 /nfs/dbraw/zinc/84/96/75/584849675.db2.gz MNVRMHOWLICXCN-RNFRBKRXSA-N -1 3 227.268 0.067 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1(CCF)CC1 ZINC000904193557 584849719 /nfs/dbraw/zinc/84/97/19/584849719.db2.gz JUYVCFWGSIAJGJ-UHFFFAOYSA-N -1 3 213.216 0.288 20 0 BCADHM CC[C@H](C)[C@H](OC)C(=O)[N-]c1nnnn1C ZINC000904193797 584849723 /nfs/dbraw/zinc/84/97/23/584849723.db2.gz OOTUJTCUIKJUTH-BQBZGAKWSA-N -1 3 227.268 0.210 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000904193535 584849736 /nfs/dbraw/zinc/84/97/36/584849736.db2.gz ILRCQLNDKNDABV-RQJHMYQMSA-N -1 3 207.237 0.195 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1(C(F)F)CCCC1 ZINC000904193758 584849787 /nfs/dbraw/zinc/84/97/87/584849787.db2.gz NJAVMSHUNVCNHK-UHFFFAOYSA-N -1 3 245.233 0.974 20 0 BCADHM CC[C@H]1CC[C@@H](C(=O)[N-]c2nnnn2C)O1 ZINC000904194883 584850047 /nfs/dbraw/zinc/85/00/47/584850047.db2.gz PACSFFVYRDQKDL-BQBZGAKWSA-N -1 3 225.252 0.106 20 0 BCADHM C[C@H]1CC/C(=C\C(=O)[N-]c2nnnn2C)C1 ZINC000904194971 584850148 /nfs/dbraw/zinc/85/01/48/584850148.db2.gz PIZHJBZSRPARBD-DGUDBNDOSA-N -1 3 221.264 0.895 20 0 BCADHM CC(C)c1cc(C(=O)[N-]c2nnnn2C)no1 ZINC000904195130 584850314 /nfs/dbraw/zinc/85/03/14/584850314.db2.gz JYZDOHMYHSTBRT-UHFFFAOYSA-N -1 3 236.235 0.574 20 0 BCADHM CC/C(C)=C(\C)C(=O)[N-]c1nnnn1C ZINC000904196137 584850504 /nfs/dbraw/zinc/85/05/04/584850504.db2.gz UXBQCMKZOQYLBN-VOTSOKGWSA-N -1 3 209.253 0.895 20 0 BCADHM CC[C@H](C)[C@H](C)C(=O)[N-]c1nnnn1C ZINC000904196511 584850715 /nfs/dbraw/zinc/85/07/15/584850715.db2.gz ZQTHLTHLBWTIFP-BQBZGAKWSA-N -1 3 211.269 0.831 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCc1ccco1 ZINC000904204664 584851959 /nfs/dbraw/zinc/85/19/59/584851959.db2.gz YFKOROJOTBURAF-UHFFFAOYSA-N -1 3 221.220 0.374 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2CNOC2)n1 ZINC000904426935 584881744 /nfs/dbraw/zinc/88/17/44/584881744.db2.gz KPSHBEYXRLERPT-QMMMGPOBSA-N -1 3 209.249 0.089 20 0 BCADHM CCOC[C@@H](O)CN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827387634 584898404 /nfs/dbraw/zinc/89/84/04/584898404.db2.gz FWRSGKRBDDUBPW-ZJUUUORDSA-N -1 3 246.307 0.068 20 0 BCADHM CCc1cc(CN[C@@H]2CCN(C(=O)[O-])C2)n[nH]1 ZINC000827565960 584899676 /nfs/dbraw/zinc/89/96/76/584899676.db2.gz WPEGXJUQAYABTA-SECBINFHSA-N -1 3 238.291 0.814 20 0 BCADHM CCc1cc(CN[C@@H]2CCN(C(=O)[O-])C2)[nH]n1 ZINC000827565960 584899678 /nfs/dbraw/zinc/89/96/78/584899678.db2.gz WPEGXJUQAYABTA-SECBINFHSA-N -1 3 238.291 0.814 20 0 BCADHM C[C@H]1CC[C@H](C)N1CC(=O)[N-]OCC(C)(C)O ZINC000834625291 584914063 /nfs/dbraw/zinc/91/40/63/584914063.db2.gz ZYIWVNJJRUZOKX-UWVGGRQHSA-N -1 3 244.335 0.678 20 0 BCADHM CN1CCCC[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000731868430 584930469 /nfs/dbraw/zinc/93/04/69/584930469.db2.gz YXNKUBBHCVJXNF-MRVPVSSYSA-N -1 3 227.333 0.690 20 0 BCADHM CCNC(=O)COC(=O)c1cncc([O-])c1 ZINC000732391229 584936415 /nfs/dbraw/zinc/93/64/15/584936415.db2.gz GCUPKCGQKNMEKO-UHFFFAOYSA-N -1 3 224.216 0.080 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1CCCCN1C ZINC000836892924 584937286 /nfs/dbraw/zinc/93/72/86/584937286.db2.gz UOWONGUSGWOBBZ-MNOVXSKESA-N -1 3 244.335 0.535 20 0 BCADHM CC(C)(C)C(=O)[N-]OCc1nnnn1C1CC1 ZINC000732805469 584941206 /nfs/dbraw/zinc/94/12/06/584941206.db2.gz BWSWDNMPTCMELQ-UHFFFAOYSA-N -1 3 239.279 0.602 20 0 BCADHM CCCNC(=O)CO[N-]C(=O)C(C)(C)C ZINC000732805822 584941288 /nfs/dbraw/zinc/94/12/88/584941288.db2.gz KQYOKZCEXRWFTD-UHFFFAOYSA-N -1 3 216.281 0.607 20 0 BCADHM CC(C)(C)C(=O)[N-]OCC(=O)N1CCCC1 ZINC000732806067 584941360 /nfs/dbraw/zinc/94/13/60/584941360.db2.gz RZSCLCWANJOMDJ-UHFFFAOYSA-N -1 3 228.292 0.703 20 0 BCADHM Cc1cc(C(=O)N[C@@]2(C)CCNC2=O)ccc1[O-] ZINC000889034656 584944624 /nfs/dbraw/zinc/94/46/24/584944624.db2.gz WMUQURZQONFZQE-ZDUSSCGKSA-N -1 3 248.282 0.709 20 0 BCADHM CC(C)[C@@H](N)C(=O)[N-]OCC(F)(F)F ZINC000133824122 584944640 /nfs/dbraw/zinc/94/46/40/584944640.db2.gz GYRXPFYCPMYOIV-RXMQYKEDSA-N -1 3 214.187 0.580 20 0 BCADHM Cc1nonc1C(=O)[N-]c1nnc2ccccn21 ZINC000733918480 584955208 /nfs/dbraw/zinc/95/52/08/584955208.db2.gz DZGFKHYATANFRT-UHFFFAOYSA-N -1 3 244.214 0.673 20 0 BCADHM CC1(CNc2ccc(-c3nnn[n-]3)cn2)COC1 ZINC000736217297 584992436 /nfs/dbraw/zinc/99/24/36/584992436.db2.gz SFZNOXWNEZHNCB-UHFFFAOYSA-N -1 3 246.274 0.710 20 0 BCADHM CC1(CNc2ccc(-c3nn[n-]n3)cn2)COC1 ZINC000736217297 584992437 /nfs/dbraw/zinc/99/24/37/584992437.db2.gz SFZNOXWNEZHNCB-UHFFFAOYSA-N -1 3 246.274 0.710 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736234206 584992839 /nfs/dbraw/zinc/99/28/39/584992839.db2.gz IOAUYRJJXUSALZ-RQJHMYQMSA-N -1 3 244.258 0.278 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736234206 584992840 /nfs/dbraw/zinc/99/28/40/584992840.db2.gz IOAUYRJJXUSALZ-RQJHMYQMSA-N -1 3 244.258 0.278 20 0 BCADHM C[C@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736235521 584993244 /nfs/dbraw/zinc/99/32/44/584993244.db2.gz GACOMKVJYUBULI-IMTBSYHQSA-N -1 3 244.258 0.400 20 0 BCADHM C[C@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736235521 584993245 /nfs/dbraw/zinc/99/32/45/584993245.db2.gz GACOMKVJYUBULI-IMTBSYHQSA-N -1 3 244.258 0.400 20 0 BCADHM O=C(N[C@@H](CO)C1CC1)c1ccc2n[n-]nc2c1 ZINC000771027314 584994563 /nfs/dbraw/zinc/99/45/63/584994563.db2.gz CKZSIGXLDITYGZ-NSHDSACASA-N -1 3 246.270 0.459 20 0 BCADHM O=C([N-]Cc1cnn(CCF)c1)C(F)F ZINC000888315121 584997248 /nfs/dbraw/zinc/99/72/48/584997248.db2.gz BEMKAVGRQZUPPT-UHFFFAOYSA-N -1 3 221.182 0.734 20 0 BCADHM CCC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC000736437161 585001960 /nfs/dbraw/zinc/00/19/60/585001960.db2.gz TVLOLBQEXDFYNI-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CCC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC000736437161 585001961 /nfs/dbraw/zinc/00/19/61/585001961.db2.gz TVLOLBQEXDFYNI-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CC(C)N(C)CC(=O)NCCSCC(=O)[O-] ZINC000736454090 585002735 /nfs/dbraw/zinc/00/27/35/585002735.db2.gz DSGFQHYNAKENQT-UHFFFAOYSA-N -1 3 248.348 0.261 20 0 BCADHM CC(C)N(CCC(=O)[O-])CN1CCCC1=O ZINC000736467734 585003389 /nfs/dbraw/zinc/00/33/89/585003389.db2.gz DRNHVEXWXFHTCF-UHFFFAOYSA-N -1 3 228.292 0.751 20 0 BCADHM C[C@H](CN(CC(=O)N1CCC1)C1CC1)C(=O)[O-] ZINC000736577699 585006527 /nfs/dbraw/zinc/00/65/27/585006527.db2.gz FTXPEZMOFUFRPH-SECBINFHSA-N -1 3 240.303 0.404 20 0 BCADHM C[C@H](CNC(=O)CCNC(=O)[O-])N(C)C1CC1 ZINC000736594824 585006769 /nfs/dbraw/zinc/00/67/69/585006769.db2.gz BNRICRSXZCOXCJ-MRVPVSSYSA-N -1 3 243.307 0.243 20 0 BCADHM CC1(C)CCCN1CC(=O)NCCC(=O)[O-] ZINC000736733038 585010926 /nfs/dbraw/zinc/01/09/26/585010926.db2.gz ZEQVCALLHUUEAT-UHFFFAOYSA-N -1 3 228.292 0.452 20 0 BCADHM C[C@H]1CCCCCN1CC(=O)NCC(=O)[O-] ZINC000736783249 585014272 /nfs/dbraw/zinc/01/42/72/585014272.db2.gz FYGAYOCJSIAWFW-VIFPVBQESA-N -1 3 228.292 0.452 20 0 BCADHM O=C(C[C@H]1CCCO1)[N-]OC1CCOCC1 ZINC000772704538 585016115 /nfs/dbraw/zinc/01/61/15/585016115.db2.gz DVHWHCDBDKSBCO-SNVBAGLBSA-N -1 3 229.276 0.782 20 0 BCADHM CC[C@@H](C(=O)[O-])N1CCO[C@H](CN(C)C)C1 ZINC000736860167 585018350 /nfs/dbraw/zinc/01/83/50/585018350.db2.gz UDMZMCPQDKXKMG-ZJUUUORDSA-N -1 3 230.308 0.112 20 0 BCADHM CC[C@H](C)CN(C)[C@H](C)C(=O)NCC(=O)[O-] ZINC000736881276 585018543 /nfs/dbraw/zinc/01/85/43/585018543.db2.gz YBEBNZZGPZITKJ-DTWKUNHWSA-N -1 3 230.308 0.554 20 0 BCADHM CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736879075 585018548 /nfs/dbraw/zinc/01/85/48/585018548.db2.gz OYSUJRCONQLCFL-UHFFFAOYSA-N -1 3 236.210 0.757 20 0 BCADHM CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736879075 585018549 /nfs/dbraw/zinc/01/85/49/585018549.db2.gz OYSUJRCONQLCFL-UHFFFAOYSA-N -1 3 236.210 0.757 20 0 BCADHM CC[C@@H](C)CN(C)CC(=O)NCCC(=O)[O-] ZINC000736881339 585018768 /nfs/dbraw/zinc/01/87/68/585018768.db2.gz YOWRNCLVXPIXBF-SECBINFHSA-N -1 3 230.308 0.555 20 0 BCADHM COCCCCCn1cc(-c2nnn[n-]2)cn1 ZINC000736979933 585021226 /nfs/dbraw/zinc/02/12/26/585021226.db2.gz VUJZCKSVYLSAFR-UHFFFAOYSA-N -1 3 236.279 0.880 20 0 BCADHM COCCCCCn1cc(-c2nn[n-]n2)cn1 ZINC000736979933 585021227 /nfs/dbraw/zinc/02/12/27/585021227.db2.gz VUJZCKSVYLSAFR-UHFFFAOYSA-N -1 3 236.279 0.880 20 0 BCADHM CC[C@@H](C)COC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000756356721 585022429 /nfs/dbraw/zinc/02/24/29/585022429.db2.gz UBQWVADVOSNLSL-HTQZYQBOSA-N -1 3 242.275 0.564 20 0 BCADHM CCCNC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000737024223 585022741 /nfs/dbraw/zinc/02/27/41/585022741.db2.gz AXPYQSARZWECDD-VIFPVBQESA-N -1 3 242.319 0.698 20 0 BCADHM CCN(CCNC(=O)CN(C)C(=O)[O-])C1CC1 ZINC000737103091 585025766 /nfs/dbraw/zinc/02/57/66/585025766.db2.gz GYLWUHHASWNSKK-UHFFFAOYSA-N -1 3 243.307 0.197 20 0 BCADHM CCN1CCN([C@H](C)CNC(=O)[O-])CC1 ZINC000737115519 585026052 /nfs/dbraw/zinc/02/60/52/585026052.db2.gz LSATZBJEKJONJD-SECBINFHSA-N -1 3 215.297 0.280 20 0 BCADHM CCOCCN1CCN(CCCC(=O)[O-])CC1 ZINC000737176160 585026880 /nfs/dbraw/zinc/02/68/80/585026880.db2.gz BSVATSZDHVVIGF-UHFFFAOYSA-N -1 3 244.335 0.505 20 0 BCADHM C[Si](C)(C)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000738228542 585042120 /nfs/dbraw/zinc/04/21/20/585042120.db2.gz YAOSKZSINBZZDM-MRVPVSSYSA-N -1 3 244.367 0.139 20 0 BCADHM COC(=O)[C@@H](F)C[N-]C(=O)C(C)(F)F ZINC000838081307 585045442 /nfs/dbraw/zinc/04/54/42/585045442.db2.gz ZAPXCDDMERZZRJ-BYPYZUCNSA-N -1 3 213.155 0.269 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)OCCO ZINC000838141007 585046846 /nfs/dbraw/zinc/04/68/46/585046846.db2.gz KZUYWHMLZOLKCY-UHFFFAOYSA-N -1 3 214.192 0.609 20 0 BCADHM O=C(NCc1ncccc1[O-])NOCC1CC1 ZINC000838610413 585062310 /nfs/dbraw/zinc/06/23/10/585062310.db2.gz UCKYOZOVPYHFPY-UHFFFAOYSA-N -1 3 237.259 0.928 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C(C)=C1CCC1 ZINC000839447316 585104192 /nfs/dbraw/zinc/10/41/92/585104192.db2.gz LMQYQSLJLYWFHP-UHFFFAOYSA-N -1 3 249.274 0.603 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C(C)=C1CCC1 ZINC000839447316 585104193 /nfs/dbraw/zinc/10/41/93/585104193.db2.gz LMQYQSLJLYWFHP-UHFFFAOYSA-N -1 3 249.274 0.603 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C(C)=C1CCC1 ZINC000839447316 585104194 /nfs/dbraw/zinc/10/41/94/585104194.db2.gz LMQYQSLJLYWFHP-UHFFFAOYSA-N -1 3 249.274 0.603 20 0 BCADHM CCN(CC)S(=O)(=O)[N-]Cc1nonc1C ZINC000742324692 585124573 /nfs/dbraw/zinc/12/45/73/585124573.db2.gz BOWBHOAUEFKYFX-UHFFFAOYSA-N -1 3 248.308 0.054 20 0 BCADHM CCC[C@@H](C)OC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000748109403 585187268 /nfs/dbraw/zinc/18/72/68/585187268.db2.gz YXYPNVHVJVYKHJ-SFYZADRCSA-N -1 3 242.275 0.706 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000748548142 585193753 /nfs/dbraw/zinc/19/37/53/585193753.db2.gz SZYWRKSWWXRVHA-SSDOTTSWSA-N -1 3 213.306 0.300 20 0 BCADHM CC(C)OCCS(=O)(=O)[N-]Cc1ccon1 ZINC000748651323 585194646 /nfs/dbraw/zinc/19/46/46/585194646.db2.gz LJNGFVULPSQBJK-UHFFFAOYSA-N -1 3 248.304 0.519 20 0 BCADHM CCN(CC)CC(=O)[N-]OCCOC ZINC000748767492 585195189 /nfs/dbraw/zinc/19/51/89/585195189.db2.gz FWVLBGJHEGXZSZ-UHFFFAOYSA-N -1 3 204.270 0.022 20 0 BCADHM COCCO[N-]C(=O)CCCn1cccn1 ZINC000748768083 585195431 /nfs/dbraw/zinc/19/54/31/585195431.db2.gz LYRZRXYDTLKHJM-UHFFFAOYSA-N -1 3 227.264 0.358 20 0 BCADHM CCN1CCCC[C@@H]1C(=O)[N-]OCCOC ZINC000748770109 585195525 /nfs/dbraw/zinc/19/55/25/585195525.db2.gz RDKIENKPTPZZBN-SNVBAGLBSA-N -1 3 230.308 0.555 20 0 BCADHM COCCO[N-]C(=O)CN1[C@H](C)CC[C@H]1C ZINC000748773438 585195672 /nfs/dbraw/zinc/19/56/72/585195672.db2.gz CSMFSDKDMVKXFH-NXEZZACHSA-N -1 3 230.308 0.553 20 0 BCADHM CCCn1nccc1NC([O-])=NOCCOC ZINC000749017541 585198284 /nfs/dbraw/zinc/19/82/84/585198284.db2.gz WUCKOCVDJICUAB-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM CCCn1nccc1NC(=O)[N-]OCCOC ZINC000749017541 585198285 /nfs/dbraw/zinc/19/82/85/585198285.db2.gz WUCKOCVDJICUAB-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM CO[N-]C(=O)CCC(C)(C)C(=O)NOC ZINC000749342247 585201704 /nfs/dbraw/zinc/20/17/04/585201704.db2.gz MOFMBXRNWGQVSF-UHFFFAOYSA-N -1 3 218.253 0.148 20 0 BCADHM Cc1nonc1C[N-]S(=O)(=O)CCCF ZINC000750162021 585211675 /nfs/dbraw/zinc/21/16/75/585211675.db2.gz APSAQOOVPYBTND-UHFFFAOYSA-N -1 3 237.256 0.157 20 0 BCADHM CC(C)CO[N-]C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000750221751 585212419 /nfs/dbraw/zinc/21/24/19/585212419.db2.gz RWLOUAZCFQSICG-VIFPVBQESA-N -1 3 249.332 0.515 20 0 BCADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)O[C@H]1C=CCCC1 ZINC000751563311 585232547 /nfs/dbraw/zinc/23/25/47/585232547.db2.gz CXZNIEIAAKNXTC-YUMQZZPRSA-N -1 3 238.243 0.236 20 0 BCADHM CC1(CN=c2ncnc3[nH][n-]cc2-3)OCCCO1 ZINC000752979378 585252164 /nfs/dbraw/zinc/25/21/64/585252164.db2.gz NXYNUGHJNVXFPD-UHFFFAOYSA-N -1 3 249.274 0.291 20 0 BCADHM CCOCCNC(=O)CO[N-]C(=O)C(C)(C)C ZINC000753168868 585254751 /nfs/dbraw/zinc/25/47/51/585254751.db2.gz AKIPQJGPHBQRCM-UHFFFAOYSA-N -1 3 246.307 0.233 20 0 BCADHM CCN1CCCC[C@H]1C(=O)[N-]OCCCOC ZINC000805036699 585256393 /nfs/dbraw/zinc/25/63/93/585256393.db2.gz COATXUQSHYPVPO-NSHDSACASA-N -1 3 244.335 0.945 20 0 BCADHM COCCCO[N-]C(=O)CCOC(C)C ZINC000805036645 585256463 /nfs/dbraw/zinc/25/64/63/585256463.db2.gz ARBIDAZXMDRZGS-UHFFFAOYSA-N -1 3 219.281 0.886 20 0 BCADHM COCCCO[N-]C(=O)CCC(C)=O ZINC000805039943 585257295 /nfs/dbraw/zinc/25/72/95/585257295.db2.gz BTKVMNYLTMGIOF-UHFFFAOYSA-N -1 3 203.238 0.440 20 0 BCADHM COCCCO[N-]C(=O)C1CC(=O)C1 ZINC000805040334 585257573 /nfs/dbraw/zinc/25/75/73/585257573.db2.gz JUMDMTGRPXTKKT-UHFFFAOYSA-N -1 3 201.222 0.050 20 0 BCADHM Cn1[n-]c(CN2CCCCCCC2)nc1=O ZINC000753994192 585274442 /nfs/dbraw/zinc/27/44/42/585274442.db2.gz HTACCTXWFWRDTH-UHFFFAOYSA-N -1 3 224.308 0.875 20 0 BCADHM COCC[N-]C(=O)C(F)(F)c1nccs1 ZINC000756423219 585319758 /nfs/dbraw/zinc/31/97/58/585319758.db2.gz YZIKKGYSXKMSOW-UHFFFAOYSA-N -1 3 236.243 0.998 20 0 BCADHM Cc1cc([O-])ccc1C(=O)OCC(=O)N(C)C ZINC000758517388 585356836 /nfs/dbraw/zinc/35/68/36/585356836.db2.gz QKBLHDJCAKJIDQ-UHFFFAOYSA-N -1 3 237.255 0.946 20 0 BCADHM CCNC(=O)COC(=O)c1ccc([O-])cc1C ZINC000758538269 585357111 /nfs/dbraw/zinc/35/71/11/585357111.db2.gz WWKRIRCIUZMLAG-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM CN1CC[C@@H](C(=O)[N-]OCC(F)F)CC1=O ZINC000759322802 585367090 /nfs/dbraw/zinc/36/70/90/585367090.db2.gz KFEVWONHMDPXGM-ZCFIWIBFSA-N -1 3 236.218 0.168 20 0 BCADHM O=C([N-]OCC(F)F)c1ccc(=O)[nH]c1 ZINC000759339558 585368593 /nfs/dbraw/zinc/36/85/93/585368593.db2.gz WYBNAFXDAXFWBM-UHFFFAOYSA-N -1 3 218.159 0.714 20 0 BCADHM COc1cc(NC([O-])=NOCC(F)F)ncn1 ZINC000759995279 585383955 /nfs/dbraw/zinc/38/39/55/585383955.db2.gz UVKXAPSALJNDAL-UHFFFAOYSA-N -1 3 248.189 0.803 20 0 BCADHM COc1cc(NC(=O)[N-]OCC(F)F)ncn1 ZINC000759995279 585383956 /nfs/dbraw/zinc/38/39/56/585383956.db2.gz UVKXAPSALJNDAL-UHFFFAOYSA-N -1 3 248.189 0.803 20 0 BCADHM COc1ncncc1NC([O-])=NOCC(F)F ZINC000759994355 585383978 /nfs/dbraw/zinc/38/39/78/585383978.db2.gz QWFUAXOQOYKYGV-UHFFFAOYSA-N -1 3 248.189 0.803 20 0 BCADHM COc1ncncc1NC(=O)[N-]OCC(F)F ZINC000759994355 585383979 /nfs/dbraw/zinc/38/39/79/585383979.db2.gz QWFUAXOQOYKYGV-UHFFFAOYSA-N -1 3 248.189 0.803 20 0 BCADHM [O-]C(=NOCC(F)F)Nc1ccon1 ZINC000760004892 585384224 /nfs/dbraw/zinc/38/42/24/585384224.db2.gz HVFSCYWQMLGSFS-UHFFFAOYSA-N -1 3 207.136 0.993 20 0 BCADHM O=C([N-]OCC(F)F)Nc1ccon1 ZINC000760004892 585384225 /nfs/dbraw/zinc/38/42/25/585384225.db2.gz HVFSCYWQMLGSFS-UHFFFAOYSA-N -1 3 207.136 0.993 20 0 BCADHM C/C=C/COC(=O)C[N-]S(=O)(=O)CCCC ZINC000760693162 585395586 /nfs/dbraw/zinc/39/55/86/585395586.db2.gz NOOSKXVNOYNOOK-HWKANZROSA-N -1 3 249.332 0.825 20 0 BCADHM CCCCS(=O)(=O)[N-]CC(=O)OCCC ZINC000760691982 585395708 /nfs/dbraw/zinc/39/57/08/585395708.db2.gz GUUYDHWAVWCYAZ-UHFFFAOYSA-N -1 3 237.321 0.659 20 0 BCADHM O=C(Nc1nc2cc[nH]cc-2n1)c1cnn[n-]1 ZINC000760951912 585402523 /nfs/dbraw/zinc/40/25/23/585402523.db2.gz UKXFKVZGJQKXFO-UHFFFAOYSA-N -1 3 229.203 0.328 20 0 BCADHM O=C(Nc1nc2cc[nH]cc-2n1)c1c[n-]nn1 ZINC000760951912 585402524 /nfs/dbraw/zinc/40/25/24/585402524.db2.gz UKXFKVZGJQKXFO-UHFFFAOYSA-N -1 3 229.203 0.328 20 0 BCADHM O=C(Nc1nc2cc[nH]cc-2n1)c1cn[n-]n1 ZINC000760951912 585402525 /nfs/dbraw/zinc/40/25/25/585402525.db2.gz UKXFKVZGJQKXFO-UHFFFAOYSA-N -1 3 229.203 0.328 20 0 BCADHM CO[N-]C(=O)[C@@H]1CCCC[C@H]1C(=O)NOC ZINC000761141085 585411008 /nfs/dbraw/zinc/41/10/08/585411008.db2.gz PBFBDNCJGNJHQC-HTQZYQBOSA-N -1 3 230.264 0.148 20 0 BCADHM O=S(=O)(CCCF)[N-]CC1OCCCO1 ZINC000788416137 585417610 /nfs/dbraw/zinc/41/76/10/585417610.db2.gz LGAAJNWZOSSHRK-UHFFFAOYSA-N -1 3 241.284 0.028 20 0 BCADHM C/C=C\C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000761965750 585423562 /nfs/dbraw/zinc/42/35/62/585423562.db2.gz WWXLSINLKZAWPT-IHWYPQMZSA-N -1 3 248.282 0.814 20 0 BCADHM O=C(Nc1nc2cc[nH]cc-2n1)c1nc[n-]n1 ZINC000762196755 585428901 /nfs/dbraw/zinc/42/89/01/585428901.db2.gz VAQMSZQIJRGHPJ-UHFFFAOYSA-N -1 3 229.203 0.328 20 0 BCADHM COCc1nc(SCC(=O)N(C)OC)n[n-]1 ZINC000763261021 585445355 /nfs/dbraw/zinc/44/53/55/585445355.db2.gz OKKFZGNUYMSNBE-UHFFFAOYSA-N -1 3 246.292 0.063 20 0 BCADHM O=C([N-]C1=NCCS1)[C@@H]1C[C@@]12CCOC2 ZINC000763401812 585447544 /nfs/dbraw/zinc/44/75/44/585447544.db2.gz DYSXSYXJZPAAMX-OIBJUYFYSA-N -1 3 226.301 0.632 20 0 BCADHM Cn1nncc1C=Cc1nccc(=O)[n-]1 ZINC000764434567 585465496 /nfs/dbraw/zinc/46/54/96/585465496.db2.gz KHLLUJWLABYYMI-NSCUHMNNSA-N -1 3 203.205 0.481 20 0 BCADHM Cn1cc(C=Cc2nccc(=O)[n-]2)nn1 ZINC000764442298 585465655 /nfs/dbraw/zinc/46/56/55/585465655.db2.gz NGVJPWIEXZULIV-NSCUHMNNSA-N -1 3 203.205 0.481 20 0 BCADHM CC1(C)OC[C@@H](CN=c2ncnc3[nH][n-]cc2-3)O1 ZINC000765057849 585480482 /nfs/dbraw/zinc/48/04/82/585480482.db2.gz WNMRJSLAGVOCFN-SSDOTTSWSA-N -1 3 249.274 0.290 20 0 BCADHM CCO[N-]C(=O)CC(C)CC(=O)NOCC ZINC000767488905 585521076 /nfs/dbraw/zinc/52/10/76/585521076.db2.gz YVVJTJJHYIUAMH-UHFFFAOYSA-N -1 3 232.280 0.538 20 0 BCADHM Cn1nnc([N-]C(=O)c2c(F)cccc2F)n1 ZINC000770023393 585569579 /nfs/dbraw/zinc/56/95/79/585569579.db2.gz WWTIVLMMBPJUQS-UHFFFAOYSA-N -1 3 239.185 0.741 20 0 BCADHM CCNC(=O)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000770465856 585574511 /nfs/dbraw/zinc/57/45/11/585574511.db2.gz KWXKOHSJXWKDQC-ONEGZZNKSA-N -1 3 249.270 0.053 20 0 BCADHM Cc1ccc(C(=O)NN2CCCC2=O)c([O-])c1 ZINC000770545717 585576204 /nfs/dbraw/zinc/57/62/04/585576204.db2.gz FYVWMMNXMLXBIE-UHFFFAOYSA-N -1 3 234.255 0.968 20 0 BCADHM COc1cc([N-]C(=O)c2nonc2C)nn1C ZINC000772553886 585617948 /nfs/dbraw/zinc/61/79/48/585617948.db2.gz TVCMKGSAPMYXDC-UHFFFAOYSA-N -1 3 237.219 0.372 20 0 BCADHM CC[C@H](OC(=O)c1c([O-])cccc1F)C(N)=O ZINC000772577305 585618414 /nfs/dbraw/zinc/61/84/14/585618414.db2.gz JQAUSVUKMCMIGE-QMMMGPOBSA-N -1 3 241.218 0.952 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1CCSC1 ZINC000772694948 585620845 /nfs/dbraw/zinc/62/08/45/585620845.db2.gz CTASJKAUQLXZQK-QMMMGPOBSA-N -1 3 219.306 0.824 20 0 BCADHM CCOCCO[N-]C(=O)Cc1c(C)n[nH]c1C ZINC000772699666 585621122 /nfs/dbraw/zinc/62/11/22/585621122.db2.gz UYIQJFKVQBAAHK-UHFFFAOYSA-N -1 3 241.291 0.653 20 0 BCADHM COC[C@H](C)CC(=O)[N-]OC1CCOCC1 ZINC000772706740 585621404 /nfs/dbraw/zinc/62/14/04/585621404.db2.gz JCCRRGRBOYOODG-SECBINFHSA-N -1 3 231.292 0.886 20 0 BCADHM CC[C@H](OC)C(=O)[N-]OC1CCN(C)CC1 ZINC000773541911 585639925 /nfs/dbraw/zinc/63/99/25/585639925.db2.gz NHNHNLMOEJPVMC-JTQLQIEISA-N -1 3 230.308 0.553 20 0 BCADHM CCO[C@H](C)C(=O)[N-]OC1CCN(C)CC1 ZINC000773549054 585640068 /nfs/dbraw/zinc/64/00/68/585640068.db2.gz GQFMUDULIXZWJH-SECBINFHSA-N -1 3 230.308 0.553 20 0 BCADHM CS[C@H](C)C(=O)[N-]OC1CCN(C)CC1 ZINC000773551436 585640361 /nfs/dbraw/zinc/64/03/61/585640361.db2.gz QKXUNBZDNOVBKD-MRVPVSSYSA-N -1 3 232.349 0.880 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@@H]2CCOC2)CC1 ZINC000773551574 585640539 /nfs/dbraw/zinc/64/05/39/585640539.db2.gz UFNLKJHUAMRNNE-SECBINFHSA-N -1 3 228.292 0.165 20 0 BCADHM CS[C@@H](C)C(=O)[N-]OC1CCN(C)CC1 ZINC000773551437 585640553 /nfs/dbraw/zinc/64/05/53/585640553.db2.gz QKXUNBZDNOVBKD-QMMMGPOBSA-N -1 3 232.349 0.880 20 0 BCADHM Cn1cc([C@H](O)C(=O)Nc2ccccc2[O-])cn1 ZINC000773849655 585644951 /nfs/dbraw/zinc/64/49/51/585644951.db2.gz FKEZXEDPTZIYGG-NSHDSACASA-N -1 3 247.254 0.798 20 0 BCADHM C[C@@H](CC(N)=O)C(=O)[N-]OCc1cccnc1 ZINC000774066176 585649504 /nfs/dbraw/zinc/64/95/04/585649504.db2.gz LNAGIMKHWLPZCH-QMMMGPOBSA-N -1 3 237.259 0.141 20 0 BCADHM Cn1cc([C@@H](O)C(=O)Nc2ncccc2[O-])cn1 ZINC000774092046 585650036 /nfs/dbraw/zinc/65/00/36/585650036.db2.gz YQYFIPPLGPJINA-SECBINFHSA-N -1 3 248.242 0.193 20 0 BCADHM CCOCCO[N-]C(=O)C[C@@](C)(O)C1CC1 ZINC000775233427 585673574 /nfs/dbraw/zinc/67/35/74/585673574.db2.gz ICBUSDRBOSUWPR-LLVKDONJSA-N -1 3 231.292 0.622 20 0 BCADHM O=C(Cc1ccncc1)[N-]OC1CCOCC1 ZINC000775240914 585673829 /nfs/dbraw/zinc/67/38/29/585673829.db2.gz LXELDGLOXWJUCW-UHFFFAOYSA-N -1 3 236.271 0.851 20 0 BCADHM CCN(CC(=O)[N-]OC1CCOCC1)C1CC1 ZINC000775246845 585674013 /nfs/dbraw/zinc/67/40/13/585674013.db2.gz VMTHAMZZUPXMDL-UHFFFAOYSA-N -1 3 242.319 0.698 20 0 BCADHM O=C([N-]OC1CCOCC1)Nc1ccncc1 ZINC000775423502 585677927 /nfs/dbraw/zinc/67/79/27/585677927.db2.gz OIELLGZADSRPFG-UHFFFAOYSA-N -1 3 237.259 0.736 20 0 BCADHM Cc1n[n-]nc1C(=O)O[C@@H](C)C(=O)C1CC1 ZINC000805545100 585678063 /nfs/dbraw/zinc/67/80/63/585678063.db2.gz CRDHNBPWIZAGJO-LURJTMIESA-N -1 3 223.232 0.638 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1cscn1 ZINC000805545694 585678526 /nfs/dbraw/zinc/67/85/26/585678526.db2.gz AFXCZUROOCDIPD-UHFFFAOYSA-N -1 3 224.245 0.927 20 0 BCADHM CCCNC(=O)[C@H](C)OC(=O)c1n[n-]nc1C ZINC000805545967 585678625 /nfs/dbraw/zinc/67/86/25/585678625.db2.gz HTNNXCTWFITAPD-ZETCQYMHSA-N -1 3 240.263 0.185 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1ccno1 ZINC000805545777 585678633 /nfs/dbraw/zinc/67/86/33/585678633.db2.gz DKKRVONRSYAMIB-UHFFFAOYSA-N -1 3 208.177 0.458 20 0 BCADHM Cc1cc(C)n(CCOC(=O)c2n[n-]nc2C)n1 ZINC000805546165 585678856 /nfs/dbraw/zinc/67/88/56/585678856.db2.gz FBCZZZDGUPLTDV-UHFFFAOYSA-N -1 3 249.274 0.783 20 0 BCADHM CC(C)C[C@@H](C)OC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000775535297 585679188 /nfs/dbraw/zinc/67/91/88/585679188.db2.gz NOUDIWAYDNETMK-SFYZADRCSA-N -1 3 242.275 0.562 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCOC1CCC1 ZINC000805546509 585679349 /nfs/dbraw/zinc/67/93/49/585679349.db2.gz IJRSKDSXXITWHW-UHFFFAOYSA-N -1 3 225.248 0.839 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCC[C@H](C)O ZINC000805547343 585680977 /nfs/dbraw/zinc/68/09/77/585680977.db2.gz XWXZXNGYEDZVCP-LURJTMIESA-N -1 3 213.237 0.431 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCC1(O)CC1 ZINC000805547621 585681010 /nfs/dbraw/zinc/68/10/10/585681010.db2.gz WPFTWFUAMWPWDD-UHFFFAOYSA-N -1 3 211.221 0.185 20 0 BCADHM NC(=O)CON=C([O-])Nc1cccc2cc[nH]c21 ZINC000776063100 585689659 /nfs/dbraw/zinc/68/96/59/585689659.db2.gz FYJMBONWQOIQND-UHFFFAOYSA-N -1 3 248.242 0.706 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1cccc2cc[nH]c21 ZINC000776063100 585689660 /nfs/dbraw/zinc/68/96/60/585689660.db2.gz FYJMBONWQOIQND-UHFFFAOYSA-N -1 3 248.242 0.706 20 0 BCADHM [O-]C(=NOCCO)Nc1cccc(F)c1 ZINC000776295041 585695036 /nfs/dbraw/zinc/69/50/36/585695036.db2.gz DOOPGTPOILRIHC-UHFFFAOYSA-N -1 3 214.196 0.871 20 0 BCADHM O=C([N-]OCCO)Nc1cccc(F)c1 ZINC000776295041 585695037 /nfs/dbraw/zinc/69/50/37/585695037.db2.gz DOOPGTPOILRIHC-UHFFFAOYSA-N -1 3 214.196 0.871 20 0 BCADHM COc1ccc(NC([O-])=NOCCO)cn1 ZINC000776296714 585695393 /nfs/dbraw/zinc/69/53/93/585695393.db2.gz UMLDHNDODVGZOW-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM COc1ccc(NC(=O)[N-]OCCO)cn1 ZINC000776296714 585695394 /nfs/dbraw/zinc/69/53/94/585695394.db2.gz UMLDHNDODVGZOW-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM Cc1nn(C)c(C)c1CCC(=O)[N-]OCCO ZINC000776578541 585701054 /nfs/dbraw/zinc/70/10/54/585701054.db2.gz FMURLLPIOIHEKU-UHFFFAOYSA-N -1 3 241.291 0.010 20 0 BCADHM C[C@H]1CC[C@H](CCC(=O)[N-]OCCO)O1 ZINC000776583319 585701147 /nfs/dbraw/zinc/70/11/47/585701147.db2.gz GAFMEFGUILWVSF-DTWKUNHWSA-N -1 3 217.265 0.374 20 0 BCADHM O=C(CCc1ccncc1)[N-]OCCO ZINC000776581786 585701183 /nfs/dbraw/zinc/70/11/83/585701183.db2.gz LRICGYXORLUZTD-UHFFFAOYSA-N -1 3 210.233 0.054 20 0 BCADHM CCn1nc(C)c(C(=O)[N-]OCCO)c1Cl ZINC000776581097 585701423 /nfs/dbraw/zinc/70/14/23/585701423.db2.gz DAGGLHWEROMYCQ-UHFFFAOYSA-N -1 3 247.682 0.519 20 0 BCADHM O=C(Cc1ccccc1Cl)[N-]OCCO ZINC000776584745 585701519 /nfs/dbraw/zinc/70/15/19/585701519.db2.gz MMFSQPUFGIKFML-UHFFFAOYSA-N -1 3 229.663 0.923 20 0 BCADHM O=C([N-]OCCO)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000776584429 585701611 /nfs/dbraw/zinc/70/16/11/585701611.db2.gz MMFLZGBWWUZTNV-MNOVXSKESA-N -1 3 239.246 0.969 20 0 BCADHM CCOc1ccc(CC(=O)[N-]OCCO)cc1 ZINC000776585429 585701996 /nfs/dbraw/zinc/70/19/96/585701996.db2.gz XNQKNAADVRYUCS-UHFFFAOYSA-N -1 3 239.271 0.668 20 0 BCADHM CO[N-]C(=O)CC(C)(C)COC(C)=O ZINC000777794069 585720376 /nfs/dbraw/zinc/72/03/76/585720376.db2.gz NXOKZEYVZPJCQJ-UHFFFAOYSA-N -1 3 203.238 0.643 20 0 BCADHM C[C@H]1C[C@H](COC(=O)c2cnn[n-]2)CCO1 ZINC000805602870 585726997 /nfs/dbraw/zinc/72/69/97/585726997.db2.gz CXEYTYHMUMKSAJ-JGVFFNPUSA-N -1 3 225.248 0.777 20 0 BCADHM C[C@H]1C[C@H](COC(=O)c2c[n-]nn2)CCO1 ZINC000805602870 585726998 /nfs/dbraw/zinc/72/69/98/585726998.db2.gz CXEYTYHMUMKSAJ-JGVFFNPUSA-N -1 3 225.248 0.777 20 0 BCADHM O=C(OCc1nc(C2CC2)no1)c1cnn[n-]1 ZINC000805602859 585727014 /nfs/dbraw/zinc/72/70/14/585727014.db2.gz CKQNOIOETSZCGQ-UHFFFAOYSA-N -1 3 235.203 0.422 20 0 BCADHM O=C(OCc1nc(C2CC2)no1)c1c[n-]nn1 ZINC000805602859 585727015 /nfs/dbraw/zinc/72/70/15/585727015.db2.gz CKQNOIOETSZCGQ-UHFFFAOYSA-N -1 3 235.203 0.422 20 0 BCADHM O=C(OCCOC[C@@H]1CCCO1)c1cnn[n-]1 ZINC000805602976 585727420 /nfs/dbraw/zinc/72/74/20/585727420.db2.gz BMKREQWZEITFCE-QMMMGPOBSA-N -1 3 241.247 0.157 20 0 BCADHM O=C(OCCOC[C@@H]1CCCO1)c1c[n-]nn1 ZINC000805602976 585727421 /nfs/dbraw/zinc/72/74/21/585727421.db2.gz BMKREQWZEITFCE-QMMMGPOBSA-N -1 3 241.247 0.157 20 0 BCADHM C[C@H](OC(=O)c1cnn[n-]1)c1nnnn1C1CC1 ZINC000805602995 585727640 /nfs/dbraw/zinc/72/76/40/585727640.db2.gz CFVUXZBLROPXKE-YFKPBYRVSA-N -1 3 249.234 0.044 20 0 BCADHM C[C@H](OC(=O)c1c[n-]nn1)c1nnnn1C1CC1 ZINC000805602995 585727641 /nfs/dbraw/zinc/72/76/41/585727641.db2.gz CFVUXZBLROPXKE-YFKPBYRVSA-N -1 3 249.234 0.044 20 0 BCADHM COc1ccc(COC(=O)c2cnn[n-]2)cn1 ZINC000805603389 585727886 /nfs/dbraw/zinc/72/78/86/585727886.db2.gz JALFCANDWKLNGT-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM COc1ccc(COC(=O)c2c[n-]nn2)cn1 ZINC000805603389 585727887 /nfs/dbraw/zinc/72/78/87/585727887.db2.gz JALFCANDWKLNGT-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM C[C@H](OC(=O)c1cnn[n-]1)C(=O)OC(C)(C)C ZINC000805603333 585728160 /nfs/dbraw/zinc/72/81/60/585728160.db2.gz MAURKSRSYWAXQS-LURJTMIESA-N -1 3 241.247 0.692 20 0 BCADHM C[C@H](OC(=O)c1c[n-]nn1)C(=O)OC(C)(C)C ZINC000805603333 585728161 /nfs/dbraw/zinc/72/81/61/585728161.db2.gz MAURKSRSYWAXQS-LURJTMIESA-N -1 3 241.247 0.692 20 0 BCADHM COC1(COC(=O)c2cnn[n-]2)CCCC1 ZINC000805604931 585731704 /nfs/dbraw/zinc/73/17/04/585731704.db2.gz RRGUHKBIXUFQCZ-UHFFFAOYSA-N -1 3 225.248 0.921 20 0 BCADHM COC1(COC(=O)c2c[n-]nn2)CCCC1 ZINC000805604931 585731705 /nfs/dbraw/zinc/73/17/05/585731705.db2.gz RRGUHKBIXUFQCZ-UHFFFAOYSA-N -1 3 225.248 0.921 20 0 BCADHM Cc1cccnc1COC(=O)c1cnn[n-]1 ZINC000805605546 585732106 /nfs/dbraw/zinc/73/21/06/585732106.db2.gz JXLAZKLIBKAASB-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM Cc1cccnc1COC(=O)c1c[n-]nn1 ZINC000805605546 585732107 /nfs/dbraw/zinc/73/21/07/585732107.db2.gz JXLAZKLIBKAASB-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM O=C(OCCC(F)(F)F)c1cnn[n-]1 ZINC000805606468 585733394 /nfs/dbraw/zinc/73/33/94/585733394.db2.gz XPWVGPZXHIERCR-UHFFFAOYSA-N -1 3 209.127 0.914 20 0 BCADHM O=C(OCCC(F)(F)F)c1c[n-]nn1 ZINC000805606468 585733395 /nfs/dbraw/zinc/73/33/95/585733395.db2.gz XPWVGPZXHIERCR-UHFFFAOYSA-N -1 3 209.127 0.914 20 0 BCADHM Cn1cccc1C(=O)COC(=O)c1cnn[n-]1 ZINC000805607561 585734884 /nfs/dbraw/zinc/73/48/84/585734884.db2.gz XXUURHYCJSSEQX-UHFFFAOYSA-N -1 3 234.215 0.183 20 0 BCADHM Cn1cccc1C(=O)COC(=O)c1c[n-]nn1 ZINC000805607561 585734885 /nfs/dbraw/zinc/73/48/85/585734885.db2.gz XXUURHYCJSSEQX-UHFFFAOYSA-N -1 3 234.215 0.183 20 0 BCADHM CC(C)[C@@H](C)NC(=O)COC(=O)c1cnn[n-]1 ZINC000805607924 585735432 /nfs/dbraw/zinc/73/54/32/585735432.db2.gz UGYTZNPVEXLMCJ-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM CC(C)[C@@H](C)NC(=O)COC(=O)c1c[n-]nn1 ZINC000805607924 585735433 /nfs/dbraw/zinc/73/54/33/585735433.db2.gz UGYTZNPVEXLMCJ-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM C[C@@H]1CC[C@@H](COC(=O)c2cnn[n-]2)O1 ZINC000805608876 585735755 /nfs/dbraw/zinc/73/57/55/585735755.db2.gz JYCAVEQTMNRVTA-RQJHMYQMSA-N -1 3 211.221 0.529 20 0 BCADHM C[C@@H]1CC[C@@H](COC(=O)c2c[n-]nn2)O1 ZINC000805608876 585735756 /nfs/dbraw/zinc/73/57/56/585735756.db2.gz JYCAVEQTMNRVTA-RQJHMYQMSA-N -1 3 211.221 0.529 20 0 BCADHM CCc1noc(COC(=O)c2cnn[n-]2)n1 ZINC000805609245 585735979 /nfs/dbraw/zinc/73/59/79/585735979.db2.gz PGATVXNKXLDXIS-UHFFFAOYSA-N -1 3 223.192 0.107 20 0 BCADHM CCc1noc(COC(=O)c2c[n-]nn2)n1 ZINC000805609245 585735980 /nfs/dbraw/zinc/73/59/80/585735980.db2.gz PGATVXNKXLDXIS-UHFFFAOYSA-N -1 3 223.192 0.107 20 0 BCADHM Cc1nc(CC(=O)[N-]c2nnnn2C)cs1 ZINC000779467273 585755441 /nfs/dbraw/zinc/75/54/41/585755441.db2.gz MZUKEQAXYYSSCN-UHFFFAOYSA-N -1 3 238.276 0.156 20 0 BCADHM Cc1ccc(OCC(=O)[N-]c2nnnn2C)cc1 ZINC000779466219 585755496 /nfs/dbraw/zinc/75/54/96/585755496.db2.gz DJRKRFZHYNFDAN-UHFFFAOYSA-N -1 3 247.258 0.536 20 0 BCADHM COc1cccc(CC(=O)[N-]c2nnnn2C)c1 ZINC000779465379 585755588 /nfs/dbraw/zinc/75/55/88/585755588.db2.gz GITYBMCLWFBBCO-UHFFFAOYSA-N -1 3 247.258 0.400 20 0 BCADHM CCCSCC(=O)[N-]c1nnnn1C ZINC000779466511 585755595 /nfs/dbraw/zinc/75/55/95/585755595.db2.gz QKVIPDRNRNKSTJ-UHFFFAOYSA-N -1 3 215.282 0.292 20 0 BCADHM O=C(C=Cc1cncc([O-])c1)NCc1nc[nH]n1 ZINC000779659617 585758472 /nfs/dbraw/zinc/75/84/72/585758472.db2.gz ZLDVQJLTECCEQS-OWOJBTEDSA-N -1 3 245.242 0.235 20 0 BCADHM C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)C[C@H]1O ZINC000779678823 585758711 /nfs/dbraw/zinc/75/87/11/585758711.db2.gz FXEXWPDFFCFADA-LUCSPQJISA-N -1 3 248.282 0.640 20 0 BCADHM O=C([N-]N1CCCC1=O)c1cccc2c1OCO2 ZINC000780702428 585783507 /nfs/dbraw/zinc/78/35/07/585783507.db2.gz WVACZUFGOXKFCK-UHFFFAOYSA-N -1 3 248.238 0.683 20 0 BCADHM O=C(NC1=NCCS1)c1cccc2nn[n-]c21 ZINC000780977944 585787705 /nfs/dbraw/zinc/78/77/05/585787705.db2.gz ABDXSXBKXBIAJD-UHFFFAOYSA-N -1 3 247.283 0.791 20 0 BCADHM O=C(NC1=NCCS1)c1cccc2[n-]nnc21 ZINC000780977944 585787706 /nfs/dbraw/zinc/78/77/06/585787706.db2.gz ABDXSXBKXBIAJD-UHFFFAOYSA-N -1 3 247.283 0.791 20 0 BCADHM O=C(NC1=NCCS1)c1cccc2n[n-]nc21 ZINC000780977944 585787707 /nfs/dbraw/zinc/78/77/07/585787707.db2.gz ABDXSXBKXBIAJD-UHFFFAOYSA-N -1 3 247.283 0.791 20 0 BCADHM O=S(=O)([N-][C@H](CCO)C1CC1)c1ccco1 ZINC000782475781 585818701 /nfs/dbraw/zinc/81/87/01/585818701.db2.gz GLHCMUOSDFEZND-SECBINFHSA-N -1 3 245.300 0.719 20 0 BCADHM O=C(NN1CC(=O)[N-]C1=O)C(F)=C1CCCC1 ZINC000783569163 585837084 /nfs/dbraw/zinc/83/70/84/585837084.db2.gz MATFIHNLPKFEMK-UHFFFAOYSA-N -1 3 241.222 0.367 20 0 BCADHM O=C(NCc1ccon1)c1cccc2nn[n-]c21 ZINC000783654006 585839743 /nfs/dbraw/zinc/83/97/43/585839743.db2.gz PDXCNWQCWJTRMN-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM O=C(NCc1ccon1)c1cccc2[n-]nnc21 ZINC000783654006 585839744 /nfs/dbraw/zinc/83/97/44/585839744.db2.gz PDXCNWQCWJTRMN-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM O=C(NCc1ccon1)c1cccc2n[n-]nc21 ZINC000783654006 585839745 /nfs/dbraw/zinc/83/97/45/585839745.db2.gz PDXCNWQCWJTRMN-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM COCCONC(=O)c1cccc2nn[n-]c21 ZINC000783656049 585839766 /nfs/dbraw/zinc/83/97/66/585839766.db2.gz JWXPRASTBYIUJO-UHFFFAOYSA-N -1 3 236.231 0.266 20 0 BCADHM COCCONC(=O)c1cccc2[n-]nnc21 ZINC000783656049 585839767 /nfs/dbraw/zinc/83/97/67/585839767.db2.gz JWXPRASTBYIUJO-UHFFFAOYSA-N -1 3 236.231 0.266 20 0 BCADHM COCCONC(=O)c1cccc2n[n-]nc21 ZINC000783656049 585839768 /nfs/dbraw/zinc/83/97/68/585839768.db2.gz JWXPRASTBYIUJO-UHFFFAOYSA-N -1 3 236.231 0.266 20 0 BCADHM O=C(NN1CCCC1=O)c1cccc2nn[n-]c21 ZINC000783700554 585840516 /nfs/dbraw/zinc/84/05/16/585840516.db2.gz HLXMKMIIFKOXLK-UHFFFAOYSA-N -1 3 245.242 0.225 20 0 BCADHM O=C(NN1CCCC1=O)c1cccc2[n-]nnc21 ZINC000783700554 585840517 /nfs/dbraw/zinc/84/05/17/585840517.db2.gz HLXMKMIIFKOXLK-UHFFFAOYSA-N -1 3 245.242 0.225 20 0 BCADHM O=C(NN1CCCC1=O)c1cccc2n[n-]nc21 ZINC000783700554 585840518 /nfs/dbraw/zinc/84/05/18/585840518.db2.gz HLXMKMIIFKOXLK-UHFFFAOYSA-N -1 3 245.242 0.225 20 0 BCADHM CC(=O)CCCCCCC(=O)[N-]OCCO ZINC000787287037 585904869 /nfs/dbraw/zinc/90/48/69/585904869.db2.gz PNWKSSKORHWHDE-UHFFFAOYSA-N -1 3 231.292 0.956 20 0 BCADHM CC(=O)[C@@H]1C[C@H](C(=O)[N-]OCCO)C1(C)C ZINC000787286573 585904892 /nfs/dbraw/zinc/90/48/92/585904892.db2.gz ZZXURBSCEFHJRK-DTWKUNHWSA-N -1 3 229.276 0.278 20 0 BCADHM Cc1ccc(CCC(=O)[N-]OCCO)cc1 ZINC000787291909 585905150 /nfs/dbraw/zinc/90/51/50/585905150.db2.gz CRNVXTBIQVRKNP-UHFFFAOYSA-N -1 3 223.272 0.968 20 0 BCADHM O=C(CCOc1ccc(F)cc1)[N-]OCCO ZINC000787290126 585905407 /nfs/dbraw/zinc/90/54/07/585905407.db2.gz CCQPUSFHKQWJIU-UHFFFAOYSA-N -1 3 243.234 0.635 20 0 BCADHM O=C(Cc1cccc(F)c1F)[N-]OCCO ZINC000787292301 585905438 /nfs/dbraw/zinc/90/54/38/585905438.db2.gz LKDHDJNYARQLFE-UHFFFAOYSA-N -1 3 231.198 0.547 20 0 BCADHM CC(C)OCCCC(=O)[N-]OCCO ZINC000787292847 585905479 /nfs/dbraw/zinc/90/54/79/585905479.db2.gz SFWYFXKZVVZXIS-UHFFFAOYSA-N -1 3 205.254 0.232 20 0 BCADHM O=C(CCC(=O)c1ccccn1)[N-]OCCO ZINC000787293001 585905614 /nfs/dbraw/zinc/90/56/14/585905614.db2.gz KMXNGZRVZAVCQM-UHFFFAOYSA-N -1 3 238.243 0.085 20 0 BCADHM O=C(CCc1cccnc1)[N-]OCCO ZINC000787294324 585905782 /nfs/dbraw/zinc/90/57/82/585905782.db2.gz VESJBNPKLJQBQV-UHFFFAOYSA-N -1 3 210.233 0.054 20 0 BCADHM CC(=O)[C@H](C)CCCCC(=O)[N-]OCCO ZINC000787296566 585906223 /nfs/dbraw/zinc/90/62/23/585906223.db2.gz MXVRFHFFPNDRRJ-SECBINFHSA-N -1 3 231.292 0.812 20 0 BCADHM COc1ccc(F)cc1CC(=O)[N-]OCCO ZINC000787299565 585906304 /nfs/dbraw/zinc/90/63/04/585906304.db2.gz JRHSWZJAALAISH-UHFFFAOYSA-N -1 3 243.234 0.417 20 0 BCADHM NC(=O)C1([N-]C(=O)C(F)F)CCCC1 ZINC000787371372 585907950 /nfs/dbraw/zinc/90/79/50/585907950.db2.gz ZQSRPFFXWXOVPP-UHFFFAOYSA-N -1 3 206.192 0.166 20 0 BCADHM O=C([N-]OCC(F)F)[C@H]1CCCN1C1CC1 ZINC000787521134 585910829 /nfs/dbraw/zinc/91/08/29/585910829.db2.gz PDERBCBCHUCHJJ-MRVPVSSYSA-N -1 3 234.246 0.926 20 0 BCADHM CCN(CC)CC(=O)[N-]OCC(C)(C)O ZINC000788225503 585919595 /nfs/dbraw/zinc/91/95/95/585919595.db2.gz VUYIFPMOWXFGQH-UHFFFAOYSA-N -1 3 218.297 0.147 20 0 BCADHM COCCOCCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788269667 585919960 /nfs/dbraw/zinc/91/99/60/585919960.db2.gz CUTWUPBAGWYLRA-SNVBAGLBSA-N -1 3 247.291 0.124 20 0 BCADHM CCO[N-]C(=O)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000788264579 585920367 /nfs/dbraw/zinc/92/03/67/585920367.db2.gz FOGALGAVUDLOFP-BQBZGAKWSA-N -1 3 223.294 0.123 20 0 BCADHM CC(C)[C@@H](C(=O)[N-]OC[C@@H]1CCOC1)N(C)C ZINC000788569330 585926904 /nfs/dbraw/zinc/92/69/04/585926904.db2.gz GDIGOULYQHXOMW-MNOVXSKESA-N -1 3 244.335 0.657 20 0 BCADHM CON(C)CCNC(=O)c1cccc(C)c1[O-] ZINC000788600748 585927652 /nfs/dbraw/zinc/92/76/52/585927652.db2.gz CHZFCNYPUKUDHY-UHFFFAOYSA-N -1 3 238.287 0.924 20 0 BCADHM CCS(=O)(=O)CCCCCO[N-]C(C)=O ZINC000788785858 585930399 /nfs/dbraw/zinc/93/03/99/585930399.db2.gz GSXFFECSOVSVPA-UHFFFAOYSA-N -1 3 237.321 0.659 20 0 BCADHM Cc1n[n-]nc1C(=O)N1CCOc2ccncc21 ZINC000789971922 585955145 /nfs/dbraw/zinc/95/51/45/585955145.db2.gz UURJUOIIWHGSIS-UHFFFAOYSA-N -1 3 245.242 0.547 20 0 BCADHM CC[C@H](C(=O)[N-]C1=NCCS1)[C@H](C)O ZINC000790070680 585957184 /nfs/dbraw/zinc/95/71/84/585957184.db2.gz ZBEPNWFNGPPWKA-BQBZGAKWSA-N -1 3 216.306 0.612 20 0 BCADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000790456394 585965100 /nfs/dbraw/zinc/96/51/00/585965100.db2.gz IBBXQOHSCOYDJX-PHDIDXHHSA-N -1 3 249.723 0.760 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CC1(O)CCCC1 ZINC000791265167 585975621 /nfs/dbraw/zinc/97/56/21/585975621.db2.gz XTTMBROQXDVEJC-UHFFFAOYSA-N -1 3 231.292 0.500 20 0 BCADHM COCCC1(C(=O)[N-]OCC(C)(C)O)CC1 ZINC000791262888 585975710 /nfs/dbraw/zinc/97/57/10/585975710.db2.gz GQEVSYBNNQIIFS-UHFFFAOYSA-N -1 3 231.292 0.622 20 0 BCADHM O=C(OCc1ncccn1)c1cncc([O-])c1 ZINC000791383596 585979715 /nfs/dbraw/zinc/97/97/15/585979715.db2.gz WRRBCCRUYHHLGS-UHFFFAOYSA-N -1 3 231.211 0.934 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000792040071 585994575 /nfs/dbraw/zinc/99/45/75/585994575.db2.gz NPWIMCKSOUMDPW-ZETCQYMHSA-N -1 3 240.225 0.938 20 0 BCADHM CCCc1nnc(NC([O-])=NOCCO)s1 ZINC000792209276 585997969 /nfs/dbraw/zinc/99/79/69/585997969.db2.gz ABRVJBYXEYXHLR-UHFFFAOYSA-N -1 3 246.292 0.536 20 0 BCADHM CCCc1nnc(NC(=O)[N-]OCCO)s1 ZINC000792209276 585997970 /nfs/dbraw/zinc/99/79/70/585997970.db2.gz ABRVJBYXEYXHLR-UHFFFAOYSA-N -1 3 246.292 0.536 20 0 BCADHM [O-]C(=NOCCO)Nc1cnc(C2CC2)nc1 ZINC000792294688 585999301 /nfs/dbraw/zinc/99/93/01/585999301.db2.gz LLHDLJMVHMHKJY-UHFFFAOYSA-N -1 3 238.247 0.399 20 0 BCADHM O=C([N-]OCCO)Nc1cnc(C2CC2)nc1 ZINC000792294688 585999302 /nfs/dbraw/zinc/99/93/02/585999302.db2.gz LLHDLJMVHMHKJY-UHFFFAOYSA-N -1 3 238.247 0.399 20 0 BCADHM CCCn1cc(NC([O-])=NOCCOC)cn1 ZINC000792321619 585999581 /nfs/dbraw/zinc/99/95/81/585999581.db2.gz YYEAKCXISSHCQJ-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM CCCn1cc(NC(=O)[N-]OCCOC)cn1 ZINC000792321619 585999582 /nfs/dbraw/zinc/99/95/82/585999582.db2.gz YYEAKCXISSHCQJ-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM COc1cccnc1NC([O-])=NOCCO ZINC000792358905 586000041 /nfs/dbraw/zinc/00/00/41/586000041.db2.gz DGSNKCAODCXWSO-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM COc1cccnc1NC(=O)[N-]OCCO ZINC000792358905 586000042 /nfs/dbraw/zinc/00/00/42/586000042.db2.gz DGSNKCAODCXWSO-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM COCCO[N-]C(=O)CCc1cnccn1 ZINC000793614944 586024255 /nfs/dbraw/zinc/02/42/55/586024255.db2.gz LYZKEMQAOXBRGT-UHFFFAOYSA-N -1 3 225.248 0.103 20 0 BCADHM CCC[C@](C)(CC)C(=O)[N-]OCC(N)=O ZINC000793772550 586026240 /nfs/dbraw/zinc/02/62/40/586026240.db2.gz IBVJHFDEYFDLOJ-JTQLQIEISA-N -1 3 216.281 0.736 20 0 BCADHM CO[C@@H]1CCC[C@H](CC(=O)[N-]OCCO)C1 ZINC000793854453 586028056 /nfs/dbraw/zinc/02/80/56/586028056.db2.gz IMEFTRMBEPLJLW-VHSXEESVSA-N -1 3 231.292 0.622 20 0 BCADHM O=C(CC1OCCO1)NCc1ncccc1[O-] ZINC000793992435 586029553 /nfs/dbraw/zinc/02/95/53/586029553.db2.gz VNUOFVHNTWUHFK-UHFFFAOYSA-N -1 3 238.243 0.166 20 0 BCADHM CSCCO[N-]C(=O)CN(C)C(C)C ZINC000794180124 586034080 /nfs/dbraw/zinc/03/40/80/586034080.db2.gz HIZRYLIPVOJYBN-UHFFFAOYSA-N -1 3 220.338 0.737 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]OCCSC ZINC000794180980 586034288 /nfs/dbraw/zinc/03/42/88/586034288.db2.gz OOQFEMBCJIRECX-MRVPVSSYSA-N -1 3 221.322 0.948 20 0 BCADHM CSCCO[N-]C(=O)C[C@@H]1CCCO1 ZINC000794191950 586034721 /nfs/dbraw/zinc/03/47/21/586034721.db2.gz XVHJREYUNSUEKH-QMMMGPOBSA-N -1 3 219.306 0.966 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000794840953 586050170 /nfs/dbraw/zinc/05/01/70/586050170.db2.gz BGDFQSOXVDFMKU-VHSXEESVSA-N -1 3 242.319 0.949 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@H](C)N(C)C ZINC000795069678 586067968 /nfs/dbraw/zinc/06/79/68/586067968.db2.gz PWCJGDLGGSBVIZ-VIFPVBQESA-N -1 3 218.297 0.409 20 0 BCADHM Cn1c(C[N-]C(=O)C(C)(F)F)nnc1C1CC1 ZINC000808466102 586096642 /nfs/dbraw/zinc/09/66/42/586096642.db2.gz RINSFVZOIPKEQA-UHFFFAOYSA-N -1 3 244.245 0.964 20 0 BCADHM CC(C)n1ccc(NC([O-])=NOCCO)n1 ZINC000797680252 586130189 /nfs/dbraw/zinc/13/01/89/586130189.db2.gz AJXNJYMUMKHHOU-UHFFFAOYSA-N -1 3 228.252 0.509 20 0 BCADHM CC(C)n1ccc(NC(=O)[N-]OCCO)n1 ZINC000797680252 586130190 /nfs/dbraw/zinc/13/01/90/586130190.db2.gz AJXNJYMUMKHHOU-UHFFFAOYSA-N -1 3 228.252 0.509 20 0 BCADHM C[C@@H]1[C@@H](C(=O)[N-]OCC(N)=O)[C@@H]1c1ccccc1 ZINC000797748545 586130469 /nfs/dbraw/zinc/13/04/69/586130469.db2.gz KEJHHSDFVNXZON-KPXOXKRLSA-N -1 3 248.282 0.569 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CC[C@@H]1CCOC1 ZINC000798249077 586141755 /nfs/dbraw/zinc/14/17/55/586141755.db2.gz BNHGYEAGZFPIFP-SECBINFHSA-N -1 3 231.292 0.622 20 0 BCADHM Cc1nnc(NC[C@H](C)O)c(-c2nnn[n-]2)c1C ZINC000103602068 586141999 /nfs/dbraw/zinc/14/19/99/586141999.db2.gz HCVHSVCVEQRTPU-YFKPBYRVSA-N -1 3 249.278 0.066 20 0 BCADHM Cc1nnc(NC[C@H](C)O)c(-c2nn[n-]n2)c1C ZINC000103602068 586142000 /nfs/dbraw/zinc/14/20/00/586142000.db2.gz HCVHSVCVEQRTPU-YFKPBYRVSA-N -1 3 249.278 0.066 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC000801102862 586242467 /nfs/dbraw/zinc/24/24/67/586242467.db2.gz NJLJVXVVLGLYOQ-BQBZGAKWSA-N -1 3 223.219 0.972 20 0 BCADHM CC(C)(C)OCCCC(=O)[N-]OCCO ZINC000803120070 586335329 /nfs/dbraw/zinc/33/53/29/586335329.db2.gz JNUUVUZGBIWNOI-UHFFFAOYSA-N -1 3 219.281 0.622 20 0 BCADHM Cn1cc(CCOC(=O)c2cncc([O-])c2)nn1 ZINC000859554285 589045001 /nfs/dbraw/zinc/04/50/01/589045001.db2.gz RKOWHFKRSZGKAO-UHFFFAOYSA-N -1 3 248.242 0.315 20 0 BCADHM CC(C)(C)[C@H](O)C(=O)[N-]c1nncn1C1CC1 ZINC000803515812 586363684 /nfs/dbraw/zinc/36/36/84/586363684.db2.gz WHMYDUOFZFSYDY-MRVPVSSYSA-N -1 3 238.291 0.959 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H](O)C(C)(C)C ZINC000803527110 586364496 /nfs/dbraw/zinc/36/44/96/586364496.db2.gz UOKBQTPEKPEYGV-SSDOTTSWSA-N -1 3 226.280 0.644 20 0 BCADHM CC(=O)[N-]OCc1cnnn1-c1ccccc1 ZINC000808255532 586469035 /nfs/dbraw/zinc/46/90/35/586469035.db2.gz PUROHIKUJXDKHV-UHFFFAOYSA-N -1 3 232.243 0.835 20 0 BCADHM CC(F)(F)C(=O)[N-][C@@H]1CCCCNC1=O ZINC000808455602 586472997 /nfs/dbraw/zinc/47/29/97/586472997.db2.gz IAORMIHACCCLOS-ZCFIWIBFSA-N -1 3 220.219 0.427 20 0 BCADHM CCN1CC[C@@H]([N-]C(=O)C(C)(F)F)C1=O ZINC000808471121 586475447 /nfs/dbraw/zinc/47/54/47/586475447.db2.gz UWWNWNOJXLPVMG-ZCFIWIBFSA-N -1 3 220.219 0.379 20 0 BCADHM Cn1nncc1[N-]S(=O)(=O)CCC1CC1 ZINC000808564324 586479768 /nfs/dbraw/zinc/47/97/68/586479768.db2.gz NUCPARQBWYRMCO-UHFFFAOYSA-N -1 3 230.293 0.357 20 0 BCADHM Cn1ncc(C(=O)[N-]c2cccc3nonc32)n1 ZINC000808800136 586490608 /nfs/dbraw/zinc/49/06/08/586490608.db2.gz SHDNIIAGZSAHMF-UHFFFAOYSA-N -1 3 244.214 0.604 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-][C@H]1C[C@@H](C)OC1=O ZINC000809383628 586504755 /nfs/dbraw/zinc/50/47/55/586504755.db2.gz GJEZAMRDDLEUSD-YIZRAAEISA-N -1 3 249.332 0.656 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-][C@@H]1C[C@@H](C)OC1=O ZINC000809383626 586505038 /nfs/dbraw/zinc/50/50/38/586505038.db2.gz GJEZAMRDDLEUSD-DJLDLDEBSA-N -1 3 249.332 0.656 20 0 BCADHM Cn1nc(COC(=O)c2cnn[n-]2)cc1Cl ZINC000859692881 589055159 /nfs/dbraw/zinc/05/51/59/589055159.db2.gz MTJQCLYHBVTENK-UHFFFAOYSA-N -1 3 241.638 0.549 20 0 BCADHM Cn1nc(COC(=O)c2c[n-]nn2)cc1Cl ZINC000859692881 589055161 /nfs/dbraw/zinc/05/51/61/589055161.db2.gz MTJQCLYHBVTENK-UHFFFAOYSA-N -1 3 241.638 0.549 20 0 BCADHM Cn1nncc1NC([O-])=NOC1CCCC1 ZINC000809901034 586522662 /nfs/dbraw/zinc/52/26/62/586522662.db2.gz UOORPTGKKDHMRQ-UHFFFAOYSA-N -1 3 225.252 0.811 20 0 BCADHM Cn1nncc1NC(=O)[N-]OC1CCCC1 ZINC000809901034 586522663 /nfs/dbraw/zinc/52/26/63/586522663.db2.gz UOORPTGKKDHMRQ-UHFFFAOYSA-N -1 3 225.252 0.811 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CCSC ZINC000811561931 586561397 /nfs/dbraw/zinc/56/13/97/586561397.db2.gz BPBFJZCBCRFPOV-UHFFFAOYSA-N -1 3 235.305 0.741 20 0 BCADHM c1nc2nc(=NC3CC3)cc(NC3CC3)n2[n-]1 ZINC000811701491 586565783 /nfs/dbraw/zinc/56/57/83/586565783.db2.gz FCMBCESVPJJRMQ-UHFFFAOYSA-N -1 3 230.275 0.695 20 0 BCADHM CN1CC[C@H](C(=O)[N-]OC/C=C\Cl)CC1=O ZINC000812400691 586575625 /nfs/dbraw/zinc/57/56/25/586575625.db2.gz BQYKGCLMLMWFHR-LTMVXPGCSA-N -1 3 246.694 0.655 20 0 BCADHM Cn1cc(C(=O)[N-]OC/C=C/Cl)ccc1=O ZINC000812406540 586576197 /nfs/dbraw/zinc/57/61/97/586576197.db2.gz GJSVJHCXZHIMFO-GORDUTHDSA-N -1 3 242.662 0.799 20 0 BCADHM O=C(CCc1nnc[nH]1)[N-]OC/C=C/Cl ZINC000812408747 586576462 /nfs/dbraw/zinc/57/64/62/586576462.db2.gz LQWDCOXQPSZPBV-DAFODLJHSA-N -1 3 230.655 0.538 20 0 BCADHM O=C(CCc1nc[nH]n1)[N-]OC/C=C/Cl ZINC000812408747 586576463 /nfs/dbraw/zinc/57/64/63/586576463.db2.gz LQWDCOXQPSZPBV-DAFODLJHSA-N -1 3 230.655 0.538 20 0 BCADHM O=C([N-]OC/C=C/Cl)[C@@H]1CCC(=O)NC1 ZINC000812408360 586576641 /nfs/dbraw/zinc/57/66/41/586576641.db2.gz PUARZFLTLUQERZ-QBWWRVGNSA-N -1 3 232.667 0.313 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]OC1CCC1 ZINC000812792115 586585572 /nfs/dbraw/zinc/58/55/72/586585572.db2.gz LZPZXLXUGSWFQW-SSDOTTSWSA-N -1 3 215.249 0.786 20 0 BCADHM CC(C)OCCO[N-]C(=O)CN(C)C ZINC000812802110 586586368 /nfs/dbraw/zinc/58/63/68/586586368.db2.gz YPEGYNWDBFGHBR-UHFFFAOYSA-N -1 3 204.270 0.021 20 0 BCADHM CC(C)OCCON=C([O-])Nc1ccn(C)n1 ZINC000812931155 586588863 /nfs/dbraw/zinc/58/88/63/586588863.db2.gz AAGXIMXZYQNLLL-UHFFFAOYSA-N -1 3 242.279 0.898 20 0 BCADHM CC(C)OCCO[N-]C(=O)Nc1ccn(C)n1 ZINC000812931155 586588864 /nfs/dbraw/zinc/58/88/64/586588864.db2.gz AAGXIMXZYQNLLL-UHFFFAOYSA-N -1 3 242.279 0.898 20 0 BCADHM CC(C)OCCON=C([O-])Nc1ccnn1C ZINC000812962253 586589069 /nfs/dbraw/zinc/58/90/69/586589069.db2.gz MIERPUBUVSLUGG-UHFFFAOYSA-N -1 3 242.279 0.898 20 0 BCADHM CC(C)OCCO[N-]C(=O)Nc1ccnn1C ZINC000812962253 586589070 /nfs/dbraw/zinc/58/90/70/586589070.db2.gz MIERPUBUVSLUGG-UHFFFAOYSA-N -1 3 242.279 0.898 20 0 BCADHM Cn1cc(NC([O-])=NOC/C=C\Cl)nn1 ZINC000813011793 586589687 /nfs/dbraw/zinc/58/96/87/586589687.db2.gz NTRKDGJRJOXODP-IHWYPQMZSA-N -1 3 231.643 0.621 20 0 BCADHM Cn1cc(NC(=O)[N-]OC/C=C\Cl)nn1 ZINC000813011793 586589688 /nfs/dbraw/zinc/58/96/88/586589688.db2.gz NTRKDGJRJOXODP-IHWYPQMZSA-N -1 3 231.643 0.621 20 0 BCADHM C[C@](O)(C(=O)[N-]C1=NCCS1)C1CCC1 ZINC000813379215 586601694 /nfs/dbraw/zinc/60/16/94/586601694.db2.gz XGMNUSVWCKEHBN-SNVBAGLBSA-N -1 3 228.317 0.757 20 0 BCADHM Cc1ccc(CC(=O)[N-]OCCO)c(Cl)n1 ZINC000813525764 586602898 /nfs/dbraw/zinc/60/28/98/586602898.db2.gz ZDKMPTDVIZIROL-UHFFFAOYSA-N -1 3 244.678 0.626 20 0 BCADHM CC[C@@H](C)CON=c1[n-]ccn2nnnc12 ZINC000813622545 586604624 /nfs/dbraw/zinc/60/46/24/586604624.db2.gz RKAKOHAVSMAIQS-SSDOTTSWSA-N -1 3 222.252 0.909 20 0 BCADHM COC(=O)c1cc(C(=O)OC[C@H](C)CO)c[n-]1 ZINC000814528430 586623713 /nfs/dbraw/zinc/62/37/13/586623713.db2.gz PNYYITXFVZBISO-SSDOTTSWSA-N -1 3 241.243 0.587 20 0 BCADHM COc1cnccc1C[N-]C(=O)C(F)F ZINC000816488343 586736120 /nfs/dbraw/zinc/73/61/20/586736120.db2.gz QIKLPFIDKCPMKF-UHFFFAOYSA-N -1 3 216.187 0.972 20 0 BCADHM CCn1ncc(C(=O)NCc2ncccc2[O-])n1 ZINC000816538639 586739262 /nfs/dbraw/zinc/73/92/62/586739262.db2.gz ZUKZGFAHZVFILB-UHFFFAOYSA-N -1 3 247.258 0.329 20 0 BCADHM Cc1ncoc1CNC(=O)c1c[n-]nn1 ZINC000816709598 586759911 /nfs/dbraw/zinc/75/99/11/586759911.db2.gz DFXOZOHTQXJJPT-UHFFFAOYSA-N -1 3 207.193 0.031 20 0 BCADHM Cc1ncoc1CNC(=O)c1cnn[n-]1 ZINC000816709598 586759914 /nfs/dbraw/zinc/75/99/14/586759914.db2.gz DFXOZOHTQXJJPT-UHFFFAOYSA-N -1 3 207.193 0.031 20 0 BCADHM Cc1ncoc1CNC(=O)c1cn[n-]n1 ZINC000816709598 586759916 /nfs/dbraw/zinc/75/99/16/586759916.db2.gz DFXOZOHTQXJJPT-UHFFFAOYSA-N -1 3 207.193 0.031 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC000816831250 586767128 /nfs/dbraw/zinc/76/71/28/586767128.db2.gz LWMDPLWZJPYFLV-VIFPVBQESA-N -1 3 223.276 0.822 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000816913965 586771558 /nfs/dbraw/zinc/77/15/58/586771558.db2.gz YTYGNNVHDFHDNJ-ZYHUDNBSSA-N -1 3 242.319 0.903 20 0 BCADHM O=C(Cc1cncc([O-])c1)NN1CCCCC1 ZINC000816955616 586774536 /nfs/dbraw/zinc/77/45/36/586774536.db2.gz IDWRWQZSTWZTRY-UHFFFAOYSA-N -1 3 235.287 0.847 20 0 BCADHM CCn1nc(C)c(C(=O)[N-]c2nc(C)n(C)n2)n1 ZINC000817018885 586779222 /nfs/dbraw/zinc/77/92/22/586779222.db2.gz CASYEVPKSNCDCL-UHFFFAOYSA-N -1 3 249.278 0.296 20 0 BCADHM CCN(CC(=O)[N-]OCC1CC1)C1CC1 ZINC000817358529 586798835 /nfs/dbraw/zinc/79/88/35/586798835.db2.gz UCDCXFCGUJEQLH-UHFFFAOYSA-N -1 3 212.293 0.929 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H]1CC12CC2 ZINC000817609940 586813743 /nfs/dbraw/zinc/81/37/43/586813743.db2.gz AXBNSUOJZBTJIT-DTWKUNHWSA-N -1 3 213.277 0.851 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)Cc1cc(=O)c(O)co1 ZINC000817779420 586827793 /nfs/dbraw/zinc/82/77/93/586827793.db2.gz OGLHNGWJSZQVAF-LURJTMIESA-N -1 3 227.216 0.250 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)OC[C@@H]1CCCN1CC(=O)[O-] ZINC000818090044 586872265 /nfs/dbraw/zinc/87/22/65/586872265.db2.gz KWYCZTHBYRJJCL-KXUCPTDWSA-N -1 3 241.287 0.735 20 0 BCADHM COC(=O)/C(C)=C\CN(C)[C@@H](C)C(=O)[O-] ZINC000818500519 586895323 /nfs/dbraw/zinc/89/53/23/586895323.db2.gz NZHYESGPLFPSOQ-TVSKSKRASA-N -1 3 215.249 0.511 20 0 BCADHM COC(=O)/C(C)=C\CN(C)[C@H](C)C(=O)[O-] ZINC000818500516 586895303 /nfs/dbraw/zinc/89/53/03/586895303.db2.gz NZHYESGPLFPSOQ-GRKOMRHMSA-N -1 3 215.249 0.511 20 0 BCADHM O=C([O-])[C@@H]1CCN(Cc2cnc3ccnn3c2)C1 ZINC000819286562 586948611 /nfs/dbraw/zinc/94/86/11/586948611.db2.gz BEZJVJLWCJFZLH-SNVBAGLBSA-N -1 3 246.270 0.636 20 0 BCADHM CCCOCSc1n[n-]c(CO)n1 ZINC000863324229 589280030 /nfs/dbraw/zinc/28/00/30/589280030.db2.gz SYYBDVWLOOJSGH-UHFFFAOYSA-N -1 3 203.267 0.773 20 0 BCADHM COCCCO[N-]C(=O)C[C@@H](C)n1cccn1 ZINC000819533333 586974231 /nfs/dbraw/zinc/97/42/31/586974231.db2.gz JCJOTHRTFHGDFI-SNVBAGLBSA-N -1 3 241.291 0.919 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1ccncn1 ZINC000819542254 586975507 /nfs/dbraw/zinc/97/55/07/586975507.db2.gz QMFUCJJWMCOLHE-UHFFFAOYSA-N -1 3 239.275 0.228 20 0 BCADHM CCNC(=O)CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819775029 586992266 /nfs/dbraw/zinc/99/22/66/586992266.db2.gz BLWZZBZLFPRQGN-LURJTMIESA-N -1 3 229.305 0.120 20 0 BCADHM C[C@@H]1CN=C([N-]C(=O)[C@@H]2NC(=O)O[C@H]2C)S1 ZINC000819784301 586994672 /nfs/dbraw/zinc/99/46/72/586994672.db2.gz YLVCFQHWAGSUSW-NGJCXOISSA-N -1 3 243.288 0.091 20 0 BCADHM C[C@@H](C(=O)n1ncc(-c2nnn[n-]2)c1N)C1CC1 ZINC000819882929 587000100 /nfs/dbraw/zinc/00/01/00/587000100.db2.gz CWBOHBWMWSXOJD-RXMQYKEDSA-N -1 3 247.262 0.332 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)Cc1cnc(N(C)C)nc1 ZINC000819895798 587001445 /nfs/dbraw/zinc/00/14/45/587001445.db2.gz PJFUJJQGWXIDAU-QMMMGPOBSA-N -1 3 238.291 0.448 20 0 BCADHM CC(=CC(=O)[N-]c1nnc2[nH]cnn12)C1CC1 ZINC000819973139 587009402 /nfs/dbraw/zinc/00/94/02/587009402.db2.gz RDMGXEDKULBUTO-GQCTYLIASA-N -1 3 232.247 0.747 20 0 BCADHM CC1=C(C(=O)[N-]c2nnc3[nH]cnn23)CCCO1 ZINC000819972496 587009489 /nfs/dbraw/zinc/00/94/89/587009489.db2.gz GWQXVKIJRVZKEU-UHFFFAOYSA-N -1 3 248.246 0.475 20 0 BCADHM C[C@@H](N[C@@H](C)CC(=O)[O-])c1nccn1C ZINC000820071612 587017066 /nfs/dbraw/zinc/01/70/66/587017066.db2.gz BNDXRKZSBBHDSD-JGVFFNPUSA-N -1 3 211.265 0.934 20 0 BCADHM C[C@H](CC(=O)[O-])NCc1ccc(C(N)=O)nc1 ZINC000820083785 587020031 /nfs/dbraw/zinc/02/00/31/587020031.db2.gz ILFHHYDLBGEWHV-SSDOTTSWSA-N -1 3 237.259 0.133 20 0 BCADHM C[C@@H](CCCO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000820241974 587037521 /nfs/dbraw/zinc/03/75/21/587037521.db2.gz KTSJMHWLNRVBQI-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@@H](CCCO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000820241974 587037523 /nfs/dbraw/zinc/03/75/23/587037523.db2.gz KTSJMHWLNRVBQI-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@H](CCO)NCc1ccc(-c2nnn[n-]2)o1 ZINC000820248163 587038379 /nfs/dbraw/zinc/03/83/79/587038379.db2.gz DEWRTYQNNBXCCO-SSDOTTSWSA-N -1 3 237.263 0.320 20 0 BCADHM CCS(=O)(=O)C[C@H](C)N[C@H](C)CC(=O)[O-] ZINC000820391915 587045611 /nfs/dbraw/zinc/04/56/11/587045611.db2.gz QEFRLAPQPHPBFO-SFYZADRCSA-N -1 3 237.321 0.262 20 0 BCADHM C[C@H](NC(N)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820410366 587046903 /nfs/dbraw/zinc/04/69/03/587046903.db2.gz DUWHXHRRERPCBT-LURJTMIESA-N -1 3 232.247 0.596 20 0 BCADHM C[C@H](NC(N)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820410366 587046904 /nfs/dbraw/zinc/04/69/04/587046904.db2.gz DUWHXHRRERPCBT-LURJTMIESA-N -1 3 232.247 0.596 20 0 BCADHM CC[C@H](C)[C@H](NCC(=O)N1CCCC1)C(=O)[O-] ZINC000820459808 587050062 /nfs/dbraw/zinc/05/00/62/587050062.db2.gz XEVDOJNEKNAGFV-ONGXEEELSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@H](C)[C@H](NCc1cn(C)nn1)C(=O)[O-] ZINC000820465380 587050446 /nfs/dbraw/zinc/05/04/46/587050446.db2.gz DOJFQXRMFRSOAA-CBAPKCEASA-N -1 3 226.280 0.404 20 0 BCADHM CN(CC(=O)NCC(=O)[O-])C[C@H]1CC=CCC1 ZINC000820554249 587054304 /nfs/dbraw/zinc/05/43/04/587054304.db2.gz JSEGCMJUZLZDAP-JTQLQIEISA-N -1 3 240.303 0.475 20 0 BCADHM CN(CCC(=O)[O-])Cc1ccc(CO)o1 ZINC000820586269 587056723 /nfs/dbraw/zinc/05/67/23/587056723.db2.gz RSXPBPVRTVBZBE-UHFFFAOYSA-N -1 3 213.233 0.678 20 0 BCADHM COCCO[N-]C(=O)CN(C)CC(C)(C)C ZINC000820613520 587058888 /nfs/dbraw/zinc/05/88/88/587058888.db2.gz FSLIHWFDWYJYCA-UHFFFAOYSA-N -1 3 232.324 0.659 20 0 BCADHM COCCO[N-]C(=O)[C@H]1CCN1C1CCCC1 ZINC000820613582 587058948 /nfs/dbraw/zinc/05/89/48/587058948.db2.gz GZTGKBMUMLJAPA-LLVKDONJSA-N -1 3 242.319 0.698 20 0 BCADHM CN1CCC[C@H](N2CC[C@H](C(=O)[O-])C2)C1=O ZINC000820620158 587059857 /nfs/dbraw/zinc/05/98/57/587059857.db2.gz HUSXITOSDFQTMC-IUCAKERBSA-N -1 3 226.276 0.014 20 0 BCADHM CO[C@@H](COC(=O)c1cnn[n-]1)C1CC1 ZINC000820660307 587063331 /nfs/dbraw/zinc/06/33/31/587063331.db2.gz QWLHPAIACMKWGW-QMMMGPOBSA-N -1 3 211.221 0.387 20 0 BCADHM CO[C@@H](COC(=O)c1c[n-]nn1)C1CC1 ZINC000820660307 587063332 /nfs/dbraw/zinc/06/33/32/587063332.db2.gz QWLHPAIACMKWGW-QMMMGPOBSA-N -1 3 211.221 0.387 20 0 BCADHM COC(=O)c1ccc(CN(C)CCC(=O)[O-])[nH]1 ZINC000820680302 587065443 /nfs/dbraw/zinc/06/54/43/587065443.db2.gz QVQMRQDNLDIJIV-UHFFFAOYSA-N -1 3 240.259 0.708 20 0 BCADHM COC(=O)c1cc(CN(C)CCC(=O)[O-])c[nH]1 ZINC000820677730 587065691 /nfs/dbraw/zinc/06/56/91/587065691.db2.gz OPDFZFZNTGRUNM-UHFFFAOYSA-N -1 3 240.259 0.708 20 0 BCADHM C[C@@H]1C[C@@H]1NCc1ccc(-c2nnn[n-]2)o1 ZINC000820678053 587065933 /nfs/dbraw/zinc/06/59/33/587065933.db2.gz SKSLUGDJXOLAOD-SVRRBLITSA-N -1 3 219.248 0.958 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000820769120 587071591 /nfs/dbraw/zinc/07/15/91/587071591.db2.gz RKISVTPCBGPQOC-MRVPVSSYSA-N -1 3 246.274 0.487 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000820769120 587071594 /nfs/dbraw/zinc/07/15/94/587071594.db2.gz RKISVTPCBGPQOC-MRVPVSSYSA-N -1 3 246.274 0.487 20 0 BCADHM C/C=C/COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820833055 587075380 /nfs/dbraw/zinc/07/53/80/587075380.db2.gz RJKKGNRLLIBNRF-NSCUHMNNSA-N -1 3 233.231 0.928 20 0 BCADHM C/C=C/COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820833055 587075382 /nfs/dbraw/zinc/07/53/82/587075382.db2.gz RJKKGNRLLIBNRF-NSCUHMNNSA-N -1 3 233.231 0.928 20 0 BCADHM COc1cccc([C@H](CO)NCC(=O)[O-])c1 ZINC000820858821 587078259 /nfs/dbraw/zinc/07/82/59/587078259.db2.gz UOYDJWGBTRLMDB-JTQLQIEISA-N -1 3 225.244 0.403 20 0 BCADHM CC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820876182 587079109 /nfs/dbraw/zinc/07/91/09/587079109.db2.gz MUTSBOJRDKPZLZ-ZCFIWIBFSA-N -1 3 234.263 0.723 20 0 BCADHM CC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820876182 587079110 /nfs/dbraw/zinc/07/91/10/587079110.db2.gz MUTSBOJRDKPZLZ-ZCFIWIBFSA-N -1 3 234.263 0.723 20 0 BCADHM CC[C@@H](CCO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820902878 587080942 /nfs/dbraw/zinc/08/09/42/587080942.db2.gz PMMNTQURQNIYOM-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@H](CCO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820902878 587080943 /nfs/dbraw/zinc/08/09/43/587080943.db2.gz PMMNTQURQNIYOM-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@H](O)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820932616 587082638 /nfs/dbraw/zinc/08/26/38/587082638.db2.gz PNLLXMLXCGZHNH-VIFPVBQESA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@H](O)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820932616 587082639 /nfs/dbraw/zinc/08/26/39/587082639.db2.gz PNLLXMLXCGZHNH-VIFPVBQESA-N -1 3 248.290 0.835 20 0 BCADHM Cc1cc(C)n2c(CN(C)CC(=O)[O-])cnc2n1 ZINC000820972759 587085328 /nfs/dbraw/zinc/08/53/28/587085328.db2.gz VPUHTHOFMCWZOV-UHFFFAOYSA-N -1 3 248.286 0.863 20 0 BCADHM CCN(CCCO)c1ccc(-c2nnn[n-]2)cn1 ZINC000821215427 587102580 /nfs/dbraw/zinc/10/25/80/587102580.db2.gz QRMWMWDKKWHQIW-UHFFFAOYSA-N -1 3 248.290 0.470 20 0 BCADHM CCN(CCCO)c1ccc(-c2nn[n-]n2)cn1 ZINC000821215427 587102581 /nfs/dbraw/zinc/10/25/81/587102581.db2.gz QRMWMWDKKWHQIW-UHFFFAOYSA-N -1 3 248.290 0.470 20 0 BCADHM CN1CCCC[C@H]1C(=O)Nc1ccncc1[O-] ZINC000821377997 587114321 /nfs/dbraw/zinc/11/43/21/587114321.db2.gz GUMMRSMBFRIPAS-JTQLQIEISA-N -1 3 235.287 0.632 20 0 BCADHM O=C([O-])CN[C@@H](CO)c1cccc(F)c1 ZINC000821533543 587126660 /nfs/dbraw/zinc/12/66/60/587126660.db2.gz RSFTYYZVBNZPGM-VIFPVBQESA-N -1 3 213.208 0.533 20 0 BCADHM O=C([O-])CN1CCC[C@@H](OC(F)F)C1 ZINC000821530781 587126699 /nfs/dbraw/zinc/12/66/99/587126699.db2.gz HUJDTTOHOBFDGJ-ZCFIWIBFSA-N -1 3 209.192 0.775 20 0 BCADHM CNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821633762 587133675 /nfs/dbraw/zinc/13/36/75/587133675.db2.gz CCGFDVWLZBHAFY-UHFFFAOYSA-N -1 3 217.232 0.155 20 0 BCADHM CNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821633762 587133676 /nfs/dbraw/zinc/13/36/76/587133676.db2.gz CCGFDVWLZBHAFY-UHFFFAOYSA-N -1 3 217.232 0.155 20 0 BCADHM CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821634067 587133742 /nfs/dbraw/zinc/13/37/42/587133742.db2.gz QFSMGWQNGIULQR-SSDOTTSWSA-N -1 3 246.274 0.857 20 0 BCADHM CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821634067 587133743 /nfs/dbraw/zinc/13/37/43/587133743.db2.gz QFSMGWQNGIULQR-SSDOTTSWSA-N -1 3 246.274 0.857 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)[N-]c1nnnn1C1CC1 ZINC000821666269 587134136 /nfs/dbraw/zinc/13/41/36/587134136.db2.gz IJMNNCIFPGZPRG-IYSWYEEDSA-N -1 3 207.237 0.603 20 0 BCADHM O=C([N-]c1nnnn1C1CC1)[C@H]1CCCOC1 ZINC000821666276 587134226 /nfs/dbraw/zinc/13/42/26/587134226.db2.gz ISDVEAPVRDQUGA-ZETCQYMHSA-N -1 3 237.263 0.373 20 0 BCADHM COC[C@H](C)NCc1ccc(-c2nnn[n-]2)o1 ZINC000821682954 587134444 /nfs/dbraw/zinc/13/44/44/587134444.db2.gz RHXWJKGRHTZSFF-ZETCQYMHSA-N -1 3 237.263 0.584 20 0 BCADHM COC[C@H](C)NCc1ccc(-c2nn[n-]n2)o1 ZINC000821682954 587134445 /nfs/dbraw/zinc/13/44/45/587134445.db2.gz RHXWJKGRHTZSFF-ZETCQYMHSA-N -1 3 237.263 0.584 20 0 BCADHM O=C(CN1CCOC1=O)Nc1ncccc1[O-] ZINC000821844210 587143147 /nfs/dbraw/zinc/14/31/47/587143147.db2.gz TWIREFVBZPGJTH-UHFFFAOYSA-N -1 3 237.215 0.178 20 0 BCADHM COC(OC)C(=O)Nc1ncccc1[O-] ZINC000821841955 587143290 /nfs/dbraw/zinc/14/32/90/587143290.db2.gz ANPASHRICHZCJE-UHFFFAOYSA-N -1 3 212.205 0.345 20 0 BCADHM CCn1cnnc1C[N-]C(=O)C(F)(F)CC ZINC000822164298 587157451 /nfs/dbraw/zinc/15/74/51/587157451.db2.gz XDPWVNNCMBHMQA-UHFFFAOYSA-N -1 3 232.234 0.960 20 0 BCADHM COC(=O)CCCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000822481554 587171099 /nfs/dbraw/zinc/17/10/99/587171099.db2.gz RISFZLCNAOOGLU-ZETCQYMHSA-N -1 3 244.316 0.937 20 0 BCADHM Cn1ncnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000822709424 587182404 /nfs/dbraw/zinc/18/24/04/587182404.db2.gz LRYMJXRAIPZUFX-UHFFFAOYSA-N -1 3 227.231 0.662 20 0 BCADHM Cn1ncnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000822709424 587182405 /nfs/dbraw/zinc/18/24/05/587182405.db2.gz LRYMJXRAIPZUFX-UHFFFAOYSA-N -1 3 227.231 0.662 20 0 BCADHM COCCCO[N-]C(=O)CN1CCCC1 ZINC000822914790 587192512 /nfs/dbraw/zinc/19/25/12/587192512.db2.gz ZWGFMYKDJUWVLW-UHFFFAOYSA-N -1 3 216.281 0.167 20 0 BCADHM C[C@H](C(=O)[N-]OC/C=C\Cl)N(C)C ZINC000823045954 587199777 /nfs/dbraw/zinc/19/97/77/587199777.db2.gz FUKNWBOCYWJSQX-IQXGSHKSSA-N -1 3 206.673 0.737 20 0 BCADHM CCC(F)(F)C(=O)[N-]C(C)(C)C(N)=O ZINC000823190538 587207636 /nfs/dbraw/zinc/20/76/36/587207636.db2.gz HOSXLTUKIVASRP-UHFFFAOYSA-N -1 3 208.208 0.412 20 0 BCADHM CCC(C)(C)[C@@H](O)C(=O)[N-]OCCN(C)C ZINC000823255368 587211809 /nfs/dbraw/zinc/21/18/09/587211809.db2.gz VIPFVOSAHJHAFQ-VIFPVBQESA-N -1 3 232.324 0.393 20 0 BCADHM CC(C)O[N-]C(=O)[C@@H]1CCCCN1C ZINC000823302520 587215063 /nfs/dbraw/zinc/21/50/63/587215063.db2.gz NZZHSSJCPHNQFK-VIFPVBQESA-N -1 3 200.282 0.927 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CN1CCCC1 ZINC000823381574 587218739 /nfs/dbraw/zinc/21/87/39/587218739.db2.gz WFOGUWUMHYBBRN-SNVBAGLBSA-N -1 3 230.308 0.147 20 0 BCADHM CC1(C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)CC=CC1 ZINC000823380342 587218934 /nfs/dbraw/zinc/21/89/34/587218934.db2.gz IWQXKSBVEWXYLH-UHFFFAOYSA-N -1 3 249.270 0.860 20 0 BCADHM C[C@@]1(C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)C=CCC1 ZINC000823380825 587219076 /nfs/dbraw/zinc/21/90/76/587219076.db2.gz TUFHQVZCAANYJR-GFCCVEGCSA-N -1 3 249.270 0.860 20 0 BCADHM O=C1NCC[C@@H]1Oc1ccc(-c2nnn[n-]2)cc1 ZINC000823546747 587230687 /nfs/dbraw/zinc/23/06/87/587230687.db2.gz FLFDEDSHVNXVDD-VIFPVBQESA-N -1 3 245.242 0.134 20 0 BCADHM O=C1NCC[C@@H]1Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823546747 587230688 /nfs/dbraw/zinc/23/06/88/587230688.db2.gz FLFDEDSHVNXVDD-VIFPVBQESA-N -1 3 245.242 0.134 20 0 BCADHM O=C(NC[C@H]1COCO1)c1cc(F)c[n-]c1=O ZINC000823558696 587231202 /nfs/dbraw/zinc/23/12/02/587231202.db2.gz MAPVNBPQEDOGNT-ZETCQYMHSA-N -1 3 242.206 0.029 20 0 BCADHM CC(=O)NCCCN1CCC[C@H]1CNC(=O)[O-] ZINC000823580283 587232030 /nfs/dbraw/zinc/23/20/30/587232030.db2.gz QRZPWTPDBZIQOJ-JTQLQIEISA-N -1 3 243.307 0.245 20 0 BCADHM CCCO[N-]C(=O)/C=C\c1cn(C)cn1 ZINC000823609262 587232995 /nfs/dbraw/zinc/23/29/95/587232995.db2.gz VWBKYHLVTGMZPL-PLNGDYQASA-N -1 3 209.249 0.891 20 0 BCADHM CO[N-]C(=O)Cc1ccc2c(c1)NCC2 ZINC000823653943 587234443 /nfs/dbraw/zinc/23/44/43/587234443.db2.gz JCVJIWMRULNBAZ-UHFFFAOYSA-N -1 3 206.245 0.875 20 0 BCADHM OCC1(CNCc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000823714552 587237700 /nfs/dbraw/zinc/23/77/00/587237700.db2.gz MYSUNNUMXMGQHR-UHFFFAOYSA-N -1 3 249.274 0.322 20 0 BCADHM OCC1(CNCc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000823714552 587237701 /nfs/dbraw/zinc/23/77/01/587237701.db2.gz MYSUNNUMXMGQHR-UHFFFAOYSA-N -1 3 249.274 0.322 20 0 BCADHM CCn1nc(C)c(C(=O)[N-]c2cnsn2)n1 ZINC000823853872 587243482 /nfs/dbraw/zinc/24/34/82/587243482.db2.gz WYDVLQRIJKVBNA-UHFFFAOYSA-N -1 3 238.276 0.710 20 0 BCADHM COCCON=C([O-])Nc1cccc(OC)n1 ZINC000824154401 587258478 /nfs/dbraw/zinc/25/84/78/587258478.db2.gz BYAWDXMLEXLKAN-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM COCCO[N-]C(=O)Nc1cccc(OC)n1 ZINC000824154401 587258479 /nfs/dbraw/zinc/25/84/79/587258479.db2.gz BYAWDXMLEXLKAN-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM CC(C)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824193492 587259852 /nfs/dbraw/zinc/25/98/52/587259852.db2.gz YWGBWKUCZCRMTD-ZETCQYMHSA-N -1 3 248.290 0.969 20 0 BCADHM CC(C)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824193492 587259854 /nfs/dbraw/zinc/25/98/54/587259854.db2.gz YWGBWKUCZCRMTD-ZETCQYMHSA-N -1 3 248.290 0.969 20 0 BCADHM CC(C)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824191413 587259905 /nfs/dbraw/zinc/25/99/05/587259905.db2.gz DGQFOZKNDANRSX-SSDOTTSWSA-N -1 3 248.290 0.969 20 0 BCADHM CC(C)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824191413 587259906 /nfs/dbraw/zinc/25/99/06/587259906.db2.gz DGQFOZKNDANRSX-SSDOTTSWSA-N -1 3 248.290 0.969 20 0 BCADHM CC(C)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824193491 587259996 /nfs/dbraw/zinc/25/99/96/587259996.db2.gz YWGBWKUCZCRMTD-SSDOTTSWSA-N -1 3 248.290 0.969 20 0 BCADHM CC(C)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824193491 587259997 /nfs/dbraw/zinc/25/99/97/587259997.db2.gz YWGBWKUCZCRMTD-SSDOTTSWSA-N -1 3 248.290 0.969 20 0 BCADHM CC(C)NC(=O)CNC1CCN(C(=O)[O-])CC1 ZINC000824367992 587267861 /nfs/dbraw/zinc/26/78/61/587267861.db2.gz IZTOXCNSAHAAFU-UHFFFAOYSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@@H](CCO)Nc1cnccc1-c1nnn[n-]1 ZINC000824407886 587269511 /nfs/dbraw/zinc/26/95/11/587269511.db2.gz ZWSLOFSQJYQWNZ-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](CCO)Nc1cnccc1-c1nn[n-]n1 ZINC000824407886 587269512 /nfs/dbraw/zinc/26/95/12/587269512.db2.gz ZWSLOFSQJYQWNZ-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](CCO)Nc1cnccc1-c1nnn[n-]1 ZINC000824407885 587269728 /nfs/dbraw/zinc/26/97/28/587269728.db2.gz ZWSLOFSQJYQWNZ-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](CCO)Nc1cnccc1-c1nn[n-]n1 ZINC000824407885 587269730 /nfs/dbraw/zinc/26/97/30/587269730.db2.gz ZWSLOFSQJYQWNZ-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](CC(=O)N(C)CCN(C)C)NC(=O)[O-] ZINC000824550403 587275794 /nfs/dbraw/zinc/27/57/94/587275794.db2.gz FUSNUCAQDUTGQJ-QMMMGPOBSA-N -1 3 231.296 0.053 20 0 BCADHM C[C@H](CC(=O)N1CCNC(C)(C)C1)NC(=O)[O-] ZINC000824599326 587278772 /nfs/dbraw/zinc/27/87/72/587278772.db2.gz MXIMUPBAQXYLAL-MRVPVSSYSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@@H](O)C[C@@H](C)Nc1cnccc1-c1nnn[n-]1 ZINC000824697301 587283381 /nfs/dbraw/zinc/28/33/81/587283381.db2.gz BNEQMIWVHBJGQH-HTQZYQBOSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)C[C@@H](C)Nc1cnccc1-c1nn[n-]n1 ZINC000824697301 587283383 /nfs/dbraw/zinc/28/33/83/587283383.db2.gz BNEQMIWVHBJGQH-HTQZYQBOSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000824700466 587283624 /nfs/dbraw/zinc/28/36/24/587283624.db2.gz YVHMDTIMFBWLNL-JGVFFNPUSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000824700466 587283625 /nfs/dbraw/zinc/28/36/25/587283625.db2.gz YVHMDTIMFBWLNL-JGVFFNPUSA-N -1 3 248.290 0.833 20 0 BCADHM CC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC000824830759 587289022 /nfs/dbraw/zinc/28/90/22/587289022.db2.gz KNSUIGSMZWXKCV-UHFFFAOYSA-N -1 3 246.274 0.867 20 0 BCADHM CC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC000824830759 587289024 /nfs/dbraw/zinc/28/90/24/587289024.db2.gz KNSUIGSMZWXKCV-UHFFFAOYSA-N -1 3 246.274 0.867 20 0 BCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000824946995 587293851 /nfs/dbraw/zinc/29/38/51/587293851.db2.gz LWGJNRCFIAHWRK-SSDOTTSWSA-N -1 3 246.274 0.677 20 0 BCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000824946995 587293852 /nfs/dbraw/zinc/29/38/52/587293852.db2.gz LWGJNRCFIAHWRK-SSDOTTSWSA-N -1 3 246.274 0.677 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC000824991581 587297786 /nfs/dbraw/zinc/29/77/86/587297786.db2.gz CJTCMCISOHNFQP-XVKPBYJWSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC000824991581 587297788 /nfs/dbraw/zinc/29/77/88/587297788.db2.gz CJTCMCISOHNFQP-XVKPBYJWSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1OCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC000825021760 587298869 /nfs/dbraw/zinc/29/88/69/587298869.db2.gz UHQKIUARAJYMAA-APPZFPTMSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@H]1OCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC000825021760 587298870 /nfs/dbraw/zinc/29/88/70/587298870.db2.gz UHQKIUARAJYMAA-APPZFPTMSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@@H]1OCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000825021063 587299333 /nfs/dbraw/zinc/29/93/33/587299333.db2.gz OLXAYPROEJYZJX-IONNQARKSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@@H]1OCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000825021063 587299335 /nfs/dbraw/zinc/29/93/35/587299335.db2.gz OLXAYPROEJYZJX-IONNQARKSA-N -1 3 246.274 0.851 20 0 BCADHM C/C=C\COC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825029000 587299647 /nfs/dbraw/zinc/29/96/47/587299647.db2.gz LNSMIPRMRHJRBX-IHWYPQMZSA-N -1 3 233.231 0.928 20 0 BCADHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CCO)C1 ZINC000825264842 587311915 /nfs/dbraw/zinc/31/19/15/587311915.db2.gz OHXMAKSJXAJYKG-BDAKNGLRSA-N -1 3 216.281 0.347 20 0 BCADHM C[C@]1(C(=O)NCCCc2c[n-][nH]c2=O)C=CCC1 ZINC000825278122 587312713 /nfs/dbraw/zinc/31/27/13/587312713.db2.gz YIRXZCDHJTUHJP-GWCFXTLKSA-N -1 3 249.314 0.971 20 0 BCADHM CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC000825379151 587317960 /nfs/dbraw/zinc/31/79/60/587317960.db2.gz AZXAUVUEYCBPBI-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC000825379151 587317961 /nfs/dbraw/zinc/31/79/61/587317961.db2.gz AZXAUVUEYCBPBI-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CCN(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825391293 587318020 /nfs/dbraw/zinc/31/80/20/587318020.db2.gz XKDJBIXPNPITLF-UHFFFAOYSA-N -1 3 207.237 0.911 20 0 BCADHM CCN(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825391293 587318022 /nfs/dbraw/zinc/31/80/22/587318022.db2.gz XKDJBIXPNPITLF-UHFFFAOYSA-N -1 3 207.237 0.911 20 0 BCADHM C[C@H](N[C@H]1CCN(C(=O)[O-])C1)c1cnn(C)c1 ZINC000825479876 587320915 /nfs/dbraw/zinc/32/09/15/587320915.db2.gz QPFKULFZJGEMPD-WPRPVWTQSA-N -1 3 238.291 0.823 20 0 BCADHM C[C@@H](O)C1CCN(CCNC(=O)[O-])CC1 ZINC000825514472 587322883 /nfs/dbraw/zinc/32/28/83/587322883.db2.gz HBLIWYYLHYLNFA-MRVPVSSYSA-N -1 3 216.281 0.347 20 0 BCADHM C[C@H](NC(=O)[O-])C(=O)NCCN1CC[C@H](C)C1 ZINC000825951206 587346750 /nfs/dbraw/zinc/34/67/50/587346750.db2.gz TYIUBSYNWSWMNO-IUCAKERBSA-N -1 3 243.307 0.101 20 0 BCADHM Cc1cc(-c2nnn[n-]2)ccc1C(N)=O ZINC000826252951 587351719 /nfs/dbraw/zinc/35/17/19/587351719.db2.gz ZQYJNLCBUYPDDA-UHFFFAOYSA-N -1 3 203.205 0.274 20 0 BCADHM Cc1cc(-c2nn[n-]n2)ccc1C(N)=O ZINC000826252951 587351720 /nfs/dbraw/zinc/35/17/20/587351720.db2.gz ZQYJNLCBUYPDDA-UHFFFAOYSA-N -1 3 203.205 0.274 20 0 BCADHM Cc1ccnc(NCCCO)c1-c1nnn[n-]1 ZINC000826313720 587352307 /nfs/dbraw/zinc/35/23/07/587352307.db2.gz QZCVWUFACZRCGY-UHFFFAOYSA-N -1 3 234.263 0.364 20 0 BCADHM Cc1ccnc(NCCCO)c1-c1nn[n-]n1 ZINC000826313720 587352308 /nfs/dbraw/zinc/35/23/08/587352308.db2.gz QZCVWUFACZRCGY-UHFFFAOYSA-N -1 3 234.263 0.364 20 0 BCADHM O=C(OCCF)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826463873 587352753 /nfs/dbraw/zinc/35/27/53/587352753.db2.gz YBSUNQNATWREBF-UHFFFAOYSA-N -1 3 225.183 0.321 20 0 BCADHM OCCCNc1cnccc1-c1nnn[n-]1 ZINC000826509906 587352920 /nfs/dbraw/zinc/35/29/20/587352920.db2.gz PHXSYFQDJYHSEV-UHFFFAOYSA-N -1 3 220.236 0.056 20 0 BCADHM OCCCNc1cnccc1-c1nn[n-]n1 ZINC000826509906 587352921 /nfs/dbraw/zinc/35/29/21/587352921.db2.gz PHXSYFQDJYHSEV-UHFFFAOYSA-N -1 3 220.236 0.056 20 0 BCADHM OC[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826508841 587353365 /nfs/dbraw/zinc/35/33/65/587353365.db2.gz DCJDYTSHHONQJH-MRVPVSSYSA-N -1 3 249.274 0.274 20 0 BCADHM c1cc(-c2nnn[n-]2)ncc1N[C@@H]1CCOC1 ZINC000826514516 587353411 /nfs/dbraw/zinc/35/34/11/587353411.db2.gz ULPRYJMOAGMJQG-MRVPVSSYSA-N -1 3 232.247 0.463 20 0 BCADHM c1cc(-c2nn[n-]n2)ncc1N[C@@H]1CCOC1 ZINC000826514516 587353412 /nfs/dbraw/zinc/35/34/12/587353412.db2.gz ULPRYJMOAGMJQG-MRVPVSSYSA-N -1 3 232.247 0.463 20 0 BCADHM CC(C)N(C)CC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000826930335 587365926 /nfs/dbraw/zinc/36/59/26/587365926.db2.gz IRASYFZWFHNQEX-JTQLQIEISA-N -1 3 228.292 0.306 20 0 BCADHM CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)[O-])C1 ZINC000827201705 587372535 /nfs/dbraw/zinc/37/25/35/587372535.db2.gz YFAFOKRQGASSNX-IWSPIJDZSA-N -1 3 243.307 0.099 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N(C)CCN1CCCC1 ZINC000827241587 587373797 /nfs/dbraw/zinc/37/37/97/587373797.db2.gz XVYKPMHJTYIRDK-JTQLQIEISA-N -1 3 242.319 0.651 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N1CC[C@H](N(C)C)C1 ZINC000827256556 587374526 /nfs/dbraw/zinc/37/45/26/587374526.db2.gz JAGHDBKIQNTFBG-IUCAKERBSA-N -1 3 228.292 0.260 20 0 BCADHM CCOC[C@H](O)CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827388845 587379379 /nfs/dbraw/zinc/37/93/79/587379379.db2.gz PXNUOLLFTSETNW-VHSXEESVSA-N -1 3 246.307 0.068 20 0 BCADHM CCOCCN1CCC[C@@H]1CNC(=O)[O-] ZINC000827399610 587379774 /nfs/dbraw/zinc/37/97/74/587379774.db2.gz LBKIECPJCPSIAB-SECBINFHSA-N -1 3 216.281 0.755 20 0 BCADHM CN(C)CCN(C)C(=O)CC1CN(C(=O)[O-])C1 ZINC000828030332 587417203 /nfs/dbraw/zinc/41/72/03/587417203.db2.gz GUSPLDSLANYMCS-UHFFFAOYSA-N -1 3 243.307 0.006 20 0 BCADHM N[C@@H](CC(F)F)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000828062730 587418818 /nfs/dbraw/zinc/41/88/18/587418818.db2.gz QJWXFXADKNSILH-POYBYMJQSA-N -1 3 238.234 0.543 20 0 BCADHM C[C@@H]1CC(=O)N(CN2C[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC000828149901 587421933 /nfs/dbraw/zinc/42/19/33/587421933.db2.gz NWIAFXHOPOOVPS-BBBLOLIVSA-N -1 3 240.303 0.465 20 0 BCADHM C[C@H]1CC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1 ZINC000828149273 587422006 /nfs/dbraw/zinc/42/20/06/587422006.db2.gz IVTHLKWQNDECCN-VHSXEESVSA-N -1 3 240.303 0.751 20 0 BCADHM C[C@@H]1CC(=O)N(CN2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000828148678 587422019 /nfs/dbraw/zinc/42/20/19/587422019.db2.gz CXWFXHLUOQONCN-BXKDBHETSA-N -1 3 240.303 0.609 20 0 BCADHM C[C@@H]1CCCN1CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000828272147 587429986 /nfs/dbraw/zinc/42/99/86/587429986.db2.gz WMUYSHQUUVHZKZ-OPRDCNLKSA-N -1 3 240.303 0.308 20 0 BCADHM CN(CCNC(=O)[O-])CCn1cccn1 ZINC000828330181 587435426 /nfs/dbraw/zinc/43/54/26/587435426.db2.gz UCWDNQYECXOAHV-UHFFFAOYSA-N -1 3 212.253 0.083 20 0 BCADHM CN(CCNC(=O)[O-])CCOCC1CC1 ZINC000828329597 587435486 /nfs/dbraw/zinc/43/54/86/587435486.db2.gz ISEVKWCJWIDEMN-UHFFFAOYSA-N -1 3 216.281 0.612 20 0 BCADHM CC(C)N(C)CC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828333479 587436454 /nfs/dbraw/zinc/43/64/54/587436454.db2.gz IDHJDKWBBVPOKO-ZJUUUORDSA-N -1 3 242.319 0.506 20 0 BCADHM CN(Cc1cn[nH]c1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000828411326 587440645 /nfs/dbraw/zinc/44/06/45/587440645.db2.gz QNKQJUHTNQNGPN-VIFPVBQESA-N -1 3 238.291 0.841 20 0 BCADHM C[C@@H]1CCC[C@]1(C)C(=O)[N-]OCC(N)=O ZINC000828414878 587441171 /nfs/dbraw/zinc/44/11/71/587441171.db2.gz AWYCVNKAJBTYOX-XCBNKYQSSA-N -1 3 214.265 0.346 20 0 BCADHM C[C@@H]1CN(CC(=O)NCCC(=O)[O-])C[C@H]1C ZINC000828439147 587442506 /nfs/dbraw/zinc/44/25/06/587442506.db2.gz HHXFYZHFTVYMLP-RKDXNWHRSA-N -1 3 228.292 0.165 20 0 BCADHM CNC(=O)CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000828543803 587449795 /nfs/dbraw/zinc/44/97/95/587449795.db2.gz YJNPRWCTIKDELT-UHFFFAOYSA-N -1 3 243.307 0.243 20 0 BCADHM CC[C@H](C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)N(C)C ZINC000828586910 587451550 /nfs/dbraw/zinc/45/15/50/587451550.db2.gz LDBJUBIPESXYHK-OPRDCNLKSA-N -1 3 242.319 0.506 20 0 BCADHM CC[C@@H](C(=O)NCCSCC(=O)[O-])N(C)C ZINC000828587188 587451565 /nfs/dbraw/zinc/45/15/65/587451565.db2.gz ONMVCTBKSJXQKB-QMMMGPOBSA-N -1 3 248.348 0.261 20 0 BCADHM CC[C@@H](C(=O)[O-])N(CCO)Cc1cccnc1 ZINC000828594438 587452599 /nfs/dbraw/zinc/45/25/99/587452599.db2.gz BXQDZEIKDRPJMO-NSHDSACASA-N -1 3 238.287 0.739 20 0 BCADHM CC[C@@H](C(=O)OC)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000828603184 587453184 /nfs/dbraw/zinc/45/31/84/587453184.db2.gz FJMAHPCKHHNXJK-GZMMTYOYSA-N -1 3 229.276 0.735 20 0 BCADHM COC(=O)[C@H]1CCCN(CCNC(=O)[O-])C1 ZINC000828630619 587454924 /nfs/dbraw/zinc/45/49/24/587454924.db2.gz JHVUPTMKTLVXHQ-QMMMGPOBSA-N -1 3 230.264 0.139 20 0 BCADHM CO[C@H](C)[C@@H](C)NC1CN(C(=O)[O-])C1 ZINC000828824326 587464734 /nfs/dbraw/zinc/46/47/34/587464734.db2.gz QHUPVZAWIWYONM-RNFRBKRXSA-N -1 3 202.254 0.362 20 0 BCADHM COC[C@H](C)N1CCCN(C(=O)[O-])CC1 ZINC000828897306 587469548 /nfs/dbraw/zinc/46/95/48/587469548.db2.gz RKLWIAYTGJGLPW-VIFPVBQESA-N -1 3 216.281 0.707 20 0 BCADHM COCCN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828984638 587477717 /nfs/dbraw/zinc/47/77/17/587477717.db2.gz HKSXMZFKYGEDSS-QMMMGPOBSA-N -1 3 202.254 0.317 20 0 BCADHM COCCOCCN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000829002002 587478749 /nfs/dbraw/zinc/47/87/49/587478749.db2.gz KAKOYNLQRPKBAK-JTQLQIEISA-N -1 3 246.307 0.334 20 0 BCADHM CC[C@@]1(C)CCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000829050195 587480844 /nfs/dbraw/zinc/48/08/44/587480844.db2.gz NKXLBAHDOLFXTI-CABZTGNLSA-N -1 3 242.319 0.698 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCCCF ZINC000829560090 587503212 /nfs/dbraw/zinc/50/32/12/587503212.db2.gz KEVJUEAZGJULLP-ZETCQYMHSA-N -1 3 238.284 0.143 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCCCF ZINC000829560086 587503246 /nfs/dbraw/zinc/50/32/46/587503246.db2.gz KEVJUEAZGJULLP-SSDOTTSWSA-N -1 3 238.284 0.143 20 0 BCADHM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCCO ZINC000829763261 587513096 /nfs/dbraw/zinc/51/30/96/587513096.db2.gz HTSHRPPYCLGMSZ-PSASIEDQSA-N -1 3 201.266 0.853 20 0 BCADHM CCN1C[C@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC000829746207 587513386 /nfs/dbraw/zinc/51/33/86/587513386.db2.gz WGQAUFWFEJAYBR-QCLAVDOMSA-N -1 3 240.303 0.164 20 0 BCADHM CCOC(=O)CCN(C)C/C=C(\C)C(=O)[O-] ZINC000829843354 587522830 /nfs/dbraw/zinc/52/28/30/587522830.db2.gz UNMXWSSSOUVZCW-WEVVVXLNSA-N -1 3 229.276 0.902 20 0 BCADHM Cc1cc(CNCC(C)(C)NC(=O)[O-])n[nH]1 ZINC000830041147 587533497 /nfs/dbraw/zinc/53/34/97/587533497.db2.gz HZKIIUUUXQBAKG-UHFFFAOYSA-N -1 3 226.280 0.854 20 0 BCADHM Cc1cc(CNCC(C)(C)NC(=O)[O-])[nH]n1 ZINC000830041147 587533499 /nfs/dbraw/zinc/53/34/99/587533499.db2.gz HZKIIUUUXQBAKG-UHFFFAOYSA-N -1 3 226.280 0.854 20 0 BCADHM Cc1ccc(O)c(CNCCNC(=O)[O-])n1 ZINC000830399958 587549530 /nfs/dbraw/zinc/54/95/30/587549530.db2.gz GPRXPFKMBNUPLH-UHFFFAOYSA-N -1 3 225.248 0.453 20 0 BCADHM Cc1ccc([O-])c(C[NH2+]CCNC(=O)[O-])n1 ZINC000830399958 587549531 /nfs/dbraw/zinc/54/95/31/587549531.db2.gz GPRXPFKMBNUPLH-UHFFFAOYSA-N -1 3 225.248 0.453 20 0 BCADHM CCOc1nnc(NC(=O)C2=CCOCC2)[n-]1 ZINC000830399758 587549766 /nfs/dbraw/zinc/54/97/66/587549766.db2.gz LOLDBNVGUCZFGN-UHFFFAOYSA-N -1 3 238.247 0.489 20 0 BCADHM CCOc1nc(NC(=O)C2=CCOCC2)n[n-]1 ZINC000830399758 587549768 /nfs/dbraw/zinc/54/97/68/587549768.db2.gz LOLDBNVGUCZFGN-UHFFFAOYSA-N -1 3 238.247 0.489 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2=CCOCC2)n1 ZINC000830399758 587549770 /nfs/dbraw/zinc/54/97/70/587549770.db2.gz LOLDBNVGUCZFGN-UHFFFAOYSA-N -1 3 238.247 0.489 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1C[C@@H](O)C1 ZINC000830555328 587558203 /nfs/dbraw/zinc/55/82/03/587558203.db2.gz UTVUFCIINUGRIP-LHPPFPPOSA-N -1 3 234.255 0.440 20 0 BCADHM Cc1ccccc1[C@H](CO)NCCNC(=O)[O-] ZINC000830554657 587558245 /nfs/dbraw/zinc/55/82/45/587558245.db2.gz NWVWWMDAXKWTGC-NSHDSACASA-N -1 3 238.287 0.886 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1cncnc1N ZINC000830559993 587558648 /nfs/dbraw/zinc/55/86/48/587558648.db2.gz YZBHTJRXMJICHQ-UHFFFAOYSA-N -1 3 230.218 0.720 20 0 BCADHM CN1C[C@@H](NCc2c[nH]c(C(=O)[O-])c2)CC1=O ZINC000830918240 587577470 /nfs/dbraw/zinc/57/74/70/587577470.db2.gz TWXVANUENNZAHG-QMMMGPOBSA-N -1 3 237.259 0.033 20 0 BCADHM CNC(=O)C1(NC/C=C(/C)C(=O)[O-])CCCC1 ZINC000830978428 587579787 /nfs/dbraw/zinc/57/97/87/587579787.db2.gz APCNLEGBYSUPEH-UITAMQMPSA-N -1 3 240.303 0.666 20 0 BCADHM COC(=O)/C(C)=C/CN(CC(=O)[O-])C1CC1 ZINC000831053072 587584091 /nfs/dbraw/zinc/58/40/91/587584091.db2.gz JXLCVBIIOQBODL-VMPITWQZSA-N -1 3 227.260 0.655 20 0 BCADHM COC(=O)[C@H]1CCN(C/C=C(/C)C(=O)[O-])C1 ZINC000831115252 587586552 /nfs/dbraw/zinc/58/65/52/587586552.db2.gz WRFFTOBBPNINIP-CHDHTGKKSA-N -1 3 227.260 0.512 20 0 BCADHM COC(=O)C1CCN(C/C=C(/C)C(=O)[O-])CC1 ZINC000831113387 587586651 /nfs/dbraw/zinc/58/66/51/587586651.db2.gz HFFMCFYXWDBNLG-OQFOIZHKSA-N -1 3 241.287 0.902 20 0 BCADHM COC(=O)[C@H]1CCN(C/C=C(\C)C(=O)[O-])C1 ZINC000831115253 587586734 /nfs/dbraw/zinc/58/67/34/587586734.db2.gz WRFFTOBBPNINIP-IPQKIJNHSA-N -1 3 227.260 0.512 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H](CO)c1cnn(C)c1 ZINC000831300494 587596777 /nfs/dbraw/zinc/59/67/77/587596777.db2.gz SUQJSIUCRMWQBA-QMMMGPOBSA-N -1 3 247.245 0.615 20 0 BCADHM CCCON=C([O-])Nc1cc(OC)n(C)n1 ZINC000831682714 587627690 /nfs/dbraw/zinc/62/76/90/587627690.db2.gz HEUOCWBVHFOZLB-UHFFFAOYSA-N -1 3 228.252 0.892 20 0 BCADHM CCCO[N-]C(=O)Nc1cc(OC)n(C)n1 ZINC000831682714 587627691 /nfs/dbraw/zinc/62/76/91/587627691.db2.gz HEUOCWBVHFOZLB-UHFFFAOYSA-N -1 3 228.252 0.892 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H](CCOC)C(N)=O ZINC000831726638 587629002 /nfs/dbraw/zinc/62/90/02/587629002.db2.gz FKERJXDUHMOXNI-ZCFIWIBFSA-N -1 3 238.234 0.038 20 0 BCADHM O=C(NCC[C@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000831990146 587641852 /nfs/dbraw/zinc/64/18/52/587641852.db2.gz BBTJMRISXROEEI-SECBINFHSA-N -1 3 248.282 0.648 20 0 BCADHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CCO ZINC000832234607 587651542 /nfs/dbraw/zinc/65/15/42/587651542.db2.gz FEYRBPDKBQQAJI-PBINXNQUSA-N -1 3 228.292 0.632 20 0 BCADHM CC(C)OCCO[N-]C(=O)CC1(O)CCC1 ZINC000832337021 587655209 /nfs/dbraw/zinc/65/52/09/587655209.db2.gz FWSYDXGSSNPOJJ-UHFFFAOYSA-N -1 3 231.292 0.764 20 0 BCADHM O=C([O-])N[C@@H]1CCCN(CC2(O)CCC2)C1 ZINC000832366662 587656447 /nfs/dbraw/zinc/65/64/47/587656447.db2.gz WGJSWWQOAIASOS-SECBINFHSA-N -1 3 228.292 0.633 20 0 BCADHM O=C([O-])N[C@H]1CCN(CC2(O)CCC2)C1 ZINC000832386848 587657242 /nfs/dbraw/zinc/65/72/42/587657242.db2.gz PAWDFWIVBQWGJI-QMMMGPOBSA-N -1 3 214.265 0.243 20 0 BCADHM O=C([O-])NC[C@H]1CCCN1CCCO ZINC000832573297 587667546 /nfs/dbraw/zinc/66/75/46/587667546.db2.gz LYJKXIRNLVEROA-MRVPVSSYSA-N -1 3 202.254 0.101 20 0 BCADHM CCC(F)(F)C(=O)[N-]CC(=O)c1cnn(C)c1 ZINC000832611585 587669541 /nfs/dbraw/zinc/66/95/41/587669541.db2.gz GOSHGSLBMVTEJY-UHFFFAOYSA-N -1 3 245.229 0.764 20 0 BCADHM O=C([O-])NCCN1CCC[C@H]1CCCO ZINC000832642231 587670128 /nfs/dbraw/zinc/67/01/28/587670128.db2.gz WEIQXFVROKOYQS-VIFPVBQESA-N -1 3 216.281 0.491 20 0 BCADHM CCC[C@H](O)CCNC(=O)c1c[n-]nn1 ZINC000832637630 587671417 /nfs/dbraw/zinc/67/14/17/587671417.db2.gz MRBVANNAGMZHJI-ZETCQYMHSA-N -1 3 212.253 0.086 20 0 BCADHM CCC[C@H](O)CCNC(=O)c1cnn[n-]1 ZINC000832637630 587671419 /nfs/dbraw/zinc/67/14/19/587671419.db2.gz MRBVANNAGMZHJI-ZETCQYMHSA-N -1 3 212.253 0.086 20 0 BCADHM CCC[C@H](O)CCNC(=O)c1cn[n-]n1 ZINC000832637630 587671421 /nfs/dbraw/zinc/67/14/21/587671421.db2.gz MRBVANNAGMZHJI-ZETCQYMHSA-N -1 3 212.253 0.086 20 0 BCADHM O=C([O-])NCCN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000832642044 587671997 /nfs/dbraw/zinc/67/19/97/587671997.db2.gz SYHFZJOLQNCKDE-CMPLNLGQSA-N -1 3 242.319 0.881 20 0 BCADHM O=C([O-])NCCNCC1=CCCOC1 ZINC000832657968 587674679 /nfs/dbraw/zinc/67/46/79/587674679.db2.gz HKKCJIYDWUWPHX-UHFFFAOYSA-N -1 3 200.238 0.190 20 0 BCADHM Cc1ncc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000833008619 587697036 /nfs/dbraw/zinc/69/70/36/587697036.db2.gz MODOEKIXPUWRDZ-LDYMZIIASA-N -1 3 235.287 0.938 20 0 BCADHM O=C([O-])[C@]1(F)CCN(C[C@@H]2CCCOC2)C1 ZINC000833174913 587700703 /nfs/dbraw/zinc/70/07/03/587700703.db2.gz KOYGDDUJIYBQQA-ONGXEEELSA-N -1 3 231.267 0.912 20 0 BCADHM O=C([O-])[C@]1(F)CCN(CCC2OCCCO2)C1 ZINC000833174129 587701157 /nfs/dbraw/zinc/70/11/57/587701157.db2.gz BGBGVWRLKHUJJU-NSHDSACASA-N -1 3 247.266 0.638 20 0 BCADHM O=C([O-])c1cc(CNC2(CO)CCC2)c[nH]1 ZINC000833296388 587705186 /nfs/dbraw/zinc/70/51/86/587705186.db2.gz BOMKBBCRTLJBCR-UHFFFAOYSA-N -1 3 224.260 0.718 20 0 BCADHM CC(=O)CCN(C)[C@@H](COC(C)C)C(=O)[O-] ZINC000833388261 587713073 /nfs/dbraw/zinc/71/30/73/587713073.db2.gz LTESELYWSNYMRF-JTQLQIEISA-N -1 3 231.292 0.776 20 0 BCADHM CC(C)N(C)CC(=O)NC1(C(=O)[O-])CCC1 ZINC000833496077 587717693 /nfs/dbraw/zinc/71/76/93/587717693.db2.gz OVMLSEKOUHKPST-UHFFFAOYSA-N -1 3 228.292 0.450 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN2CC[C@@H](CO)C2)O1 ZINC000833581943 587721645 /nfs/dbraw/zinc/72/16/45/587721645.db2.gz AMIDCLGFXJYYSF-ZJUUUORDSA-N -1 3 241.287 0.448 20 0 BCADHM C[C@@H]1CCC[C@H]1NCc1cn(CC(=O)[O-])nn1 ZINC000833609455 587723816 /nfs/dbraw/zinc/72/38/16/587723816.db2.gz SJBUJGXTPXLTKX-PSASIEDQSA-N -1 3 238.291 0.641 20 0 BCADHM C[C@@H]1CN(CC2OCCO2)C[C@H]1C(=O)[O-] ZINC000833625090 587724884 /nfs/dbraw/zinc/72/48/84/587724884.db2.gz WDJNTUROMHFGRZ-HTQZYQBOSA-N -1 3 215.249 0.012 20 0 BCADHM CC[C@@H](C(=O)N(CC)CCC(=O)[O-])N(C)C ZINC000833636615 587725585 /nfs/dbraw/zinc/72/55/85/587725585.db2.gz XJYCVPIBOHGGCZ-VIFPVBQESA-N -1 3 230.308 0.650 20 0 BCADHM CN(C)C[C@H]1CN([C@@H](C(=O)[O-])C2CC2)CCO1 ZINC000833689178 587727982 /nfs/dbraw/zinc/72/79/82/587727982.db2.gz OOSOQNZRZYNOOY-WDEREUQCSA-N -1 3 242.319 0.112 20 0 BCADHM COC[C@@](C)(CO)NCc1ccc(C(=O)[O-])[nH]1 ZINC000833722099 587729960 /nfs/dbraw/zinc/72/99/60/587729960.db2.gz ZXVOOUWOBUAYRU-LLVKDONJSA-N -1 3 242.275 0.200 20 0 BCADHM CC[C@@](C)(CNC(=O)[O-])C(=O)NCCN(C)C ZINC000833841646 587735358 /nfs/dbraw/zinc/73/53/58/587735358.db2.gz RAOJJFFHXCBIQY-NSHDSACASA-N -1 3 245.323 0.348 20 0 BCADHM CCCN(C)CC(=O)NC[C@@H](C)CNC(=O)[O-] ZINC000833853326 587736026 /nfs/dbraw/zinc/73/60/26/587736026.db2.gz LGRNDEZZKSYDDG-SECBINFHSA-N -1 3 245.323 0.348 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@@H]1CC1(Cl)Cl ZINC000833859143 587736915 /nfs/dbraw/zinc/73/69/15/587736915.db2.gz ATEIGXGWJGYHLV-LURJTMIESA-N -1 3 241.118 0.790 20 0 BCADHM CN(CCCCO)CCN(C)C(=O)[O-] ZINC000833873746 587737869 /nfs/dbraw/zinc/73/78/69/587737869.db2.gz XZDTXUQKVMHHKF-UHFFFAOYSA-N -1 3 204.270 0.301 20 0 BCADHM CNC(=O)CCN1C[C@H](C)N(C(=O)[O-])C[C@@H]1C ZINC000833874877 587738195 /nfs/dbraw/zinc/73/81/95/587738195.db2.gz BUWZSYXKKYQNHR-IUCAKERBSA-N -1 3 243.307 0.195 20 0 BCADHM Cn1cncc1CNC[C@H](NC(=O)[O-])C1CC1 ZINC000833959168 587740302 /nfs/dbraw/zinc/74/03/02/587740302.db2.gz OXSOEYXDKVWDRF-JTQLQIEISA-N -1 3 238.291 0.556 20 0 BCADHM NC(=O)CN[C@@H](CNC(=O)[O-])C1CCCCC1 ZINC000833985636 587741685 /nfs/dbraw/zinc/74/16/85/587741685.db2.gz SLSDAOGUSVVNOH-VIFPVBQESA-N -1 3 243.307 0.278 20 0 BCADHM O=C([O-])N[C@H]1CCCN([C@@H]2CCOC2)C1 ZINC000834183020 587748231 /nfs/dbraw/zinc/74/82/31/587748231.db2.gz OYPCWYDENZLKBN-DTWKUNHWSA-N -1 3 214.265 0.507 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CC2=CCCOC2)C1 ZINC000834190096 587748260 /nfs/dbraw/zinc/74/82/60/587748260.db2.gz RJQHIHQRCFGSLS-SNVBAGLBSA-N -1 3 226.276 0.675 20 0 BCADHM O=C([O-])N[C@H]1CCN(CCCn2ccnc2)C1 ZINC000834190831 587748730 /nfs/dbraw/zinc/74/87/30/587748730.db2.gz UZKJMJTXJUPQLS-JTQLQIEISA-N -1 3 238.291 0.615 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1cncnc1 ZINC000834618305 587761099 /nfs/dbraw/zinc/76/10/99/587761099.db2.gz KTRBJQRPOCTOLR-UHFFFAOYSA-N -1 3 239.275 0.228 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2c[n-]nn2)CCS1 ZINC000834682498 587764067 /nfs/dbraw/zinc/76/40/67/587764067.db2.gz HQQGXYDQWCWUOZ-RQJHMYQMSA-N -1 3 226.305 0.819 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cnn[n-]2)CCS1 ZINC000834682498 587764068 /nfs/dbraw/zinc/76/40/68/587764068.db2.gz HQQGXYDQWCWUOZ-RQJHMYQMSA-N -1 3 226.305 0.819 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)CCS1 ZINC000834682498 587764069 /nfs/dbraw/zinc/76/40/69/587764069.db2.gz HQQGXYDQWCWUOZ-RQJHMYQMSA-N -1 3 226.305 0.819 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCCN2C=O)n1 ZINC000834687368 587764154 /nfs/dbraw/zinc/76/41/54/587764154.db2.gz QQRJYBUKXWPRKP-SECBINFHSA-N -1 3 249.270 0.655 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2CCC(=O)N2)n1 ZINC000834687079 587764291 /nfs/dbraw/zinc/76/42/91/587764291.db2.gz MIRWRIQCFGKKHH-QMMMGPOBSA-N -1 3 249.270 0.703 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NC[C@H]1C[C@H](O)C1 ZINC000834760880 587765972 /nfs/dbraw/zinc/76/59/72/587765972.db2.gz NUNWGIUQRIXGFX-FCSJWLPWSA-N -1 3 248.282 0.688 20 0 BCADHM CC/C=C(/F)C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000867139359 587815936 /nfs/dbraw/zinc/81/59/36/587815936.db2.gz JPGDOGXOHPVRAV-GQCTYLIASA-N -1 3 229.211 0.175 20 0 BCADHM CC(C)O[N-]C(=O)C1(N(C)C)CCC1 ZINC000836798207 587837016 /nfs/dbraw/zinc/83/70/16/587837016.db2.gz JFDMPPOPCVHOSS-UHFFFAOYSA-N -1 3 200.282 0.927 20 0 BCADHM CCN(CC)CC(=O)[N-]OC(C)(C)CO ZINC000836803512 587837712 /nfs/dbraw/zinc/83/77/12/587837712.db2.gz JEJGLHIHJGWYAI-UHFFFAOYSA-N -1 3 218.297 0.147 20 0 BCADHM CCCN1CCC[C@H]1C(=O)[N-]OC(C)(C)CO ZINC000836804645 587837944 /nfs/dbraw/zinc/83/79/44/587837944.db2.gz ZMJPJTRBJYRHEL-JTQLQIEISA-N -1 3 244.335 0.680 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@@H]1CCCN1C1CC1 ZINC000836806430 587838165 /nfs/dbraw/zinc/83/81/65/587838165.db2.gz VIFRAQZYXUJBBK-JTQLQIEISA-N -1 3 242.319 0.432 20 0 BCADHM CC(C)(C)C[C@H](O)CC(=O)[N-]OC(C)(C)CO ZINC000836806382 587838206 /nfs/dbraw/zinc/83/82/06/587838206.db2.gz ORLXTTJQIXVPRO-SECBINFHSA-N -1 3 247.335 0.992 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C1CC(C)(O)C1 ZINC000836887838 587841247 /nfs/dbraw/zinc/84/12/47/587841247.db2.gz GTTLFMGVMAXYAU-INWMGODYSA-N -1 3 231.292 0.212 20 0 BCADHM CCOCCCC(=O)[N-]O[C@H](CO)C(C)C ZINC000836901952 587842529 /nfs/dbraw/zinc/84/25/29/587842529.db2.gz XLCSYDITHVFIHF-SNVBAGLBSA-N -1 3 233.308 0.868 20 0 BCADHM O=C(O[C@@H]1CCOC1)c1cccc2nn[n-]c21 ZINC000837654173 587887733 /nfs/dbraw/zinc/88/77/33/587887733.db2.gz HGIFEDDWFSYAOP-SSDOTTSWSA-N -1 3 233.227 0.904 20 0 BCADHM O=C(O[C@@H]1CCOC1)c1cccc2[n-]nnc21 ZINC000837654173 587887734 /nfs/dbraw/zinc/88/77/34/587887734.db2.gz HGIFEDDWFSYAOP-SSDOTTSWSA-N -1 3 233.227 0.904 20 0 BCADHM O=C(O[C@@H]1CCOC1)c1cccc2n[n-]nc21 ZINC000837654173 587887735 /nfs/dbraw/zinc/88/77/35/587887735.db2.gz HGIFEDDWFSYAOP-SSDOTTSWSA-N -1 3 233.227 0.904 20 0 BCADHM CC[C@@H](OC(=O)c1cc([O-])ccc1F)C(N)=O ZINC000837869348 587901021 /nfs/dbraw/zinc/90/10/21/587901021.db2.gz OMIZZMFBEVFRJG-SECBINFHSA-N -1 3 241.218 0.952 20 0 BCADHM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C[C@H]1C ZINC000867244199 587908547 /nfs/dbraw/zinc/90/85/47/587908547.db2.gz NTBKIDDGMRXGRV-FRSIUCEKSA-N -1 3 240.350 0.347 20 0 BCADHM COC(=O)[C@@H](F)C[N-]S(=O)(=O)CC(C)C ZINC000841545835 587958043 /nfs/dbraw/zinc/95/80/43/587958043.db2.gz WWTLNBJXRIQYME-ZETCQYMHSA-N -1 3 241.284 0.073 20 0 BCADHM C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(N)cc1[O-] ZINC000841850245 587977983 /nfs/dbraw/zinc/97/79/83/587977983.db2.gz GIYPXUWDCKABBQ-DTWKUNHWSA-N -1 3 249.314 0.797 20 0 BCADHM CC(=O)[N-]O[C@@H](C(=O)N1CCCC1)C(C)C ZINC000842026173 587989909 /nfs/dbraw/zinc/98/99/09/587989909.db2.gz IQHYUEQFRKFOEE-SNVBAGLBSA-N -1 3 228.292 0.701 20 0 BCADHM CC[C@H](COC(=O)c1n[n-]nc1C)OC ZINC000842096106 587998866 /nfs/dbraw/zinc/99/88/66/587998866.db2.gz YVVZLIXRIORRCB-SSDOTTSWSA-N -1 3 213.237 0.695 20 0 BCADHM COC(=O)c1cnc(SCC[S@@](C)=O)[n-]1 ZINC000842568780 588042856 /nfs/dbraw/zinc/04/28/56/588042856.db2.gz AQMRZHMQTBUOQX-OAHLLOKOSA-N -1 3 248.329 0.667 20 0 BCADHM O=c1cc(-c2noc(C3(O)CCC3)n2)nc[n-]1 ZINC000843026603 588075422 /nfs/dbraw/zinc/07/54/22/588075422.db2.gz NXFRRRSGGJNQRM-UHFFFAOYSA-N -1 3 234.215 0.604 20 0 BCADHM C[C@](O)(c1nc(-c2cc(=O)[n-]cn2)no1)C1CC1 ZINC000843027091 588075545 /nfs/dbraw/zinc/07/55/45/588075545.db2.gz VLZPKMVDUMVESG-LLVKDONJSA-N -1 3 248.242 0.850 20 0 BCADHM CC1=C(C)C[C@H](C(=O)[N-]OCC(N)=O)CC1 ZINC000843846083 588144547 /nfs/dbraw/zinc/14/45/47/588144547.db2.gz GGAJVVRXOVDOJQ-SECBINFHSA-N -1 3 226.276 0.656 20 0 BCADHM CCOCCO[N-]C(=O)CC1(COC)CC1 ZINC000843856276 588145628 /nfs/dbraw/zinc/14/56/28/588145628.db2.gz JOBRDJAQANLPKM-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)[C@H]1CCC(=O)C1 ZINC000843863602 588146506 /nfs/dbraw/zinc/14/65/06/588146506.db2.gz QMIALPJNFHSJAL-BDAKNGLRSA-N -1 3 227.260 0.440 20 0 BCADHM CC[C@@]1(C(=O)Nc2ncccc2[O-])CCNC1=O ZINC000867341611 588152976 /nfs/dbraw/zinc/15/29/76/588152976.db2.gz JSGYFRBVYXZVNC-GFCCVEGCSA-N -1 3 249.270 0.642 20 0 BCADHM CCCO[N-]C(=O)C[C@@](C)(O)C1CC1 ZINC000844086516 588164102 /nfs/dbraw/zinc/16/41/02/588164102.db2.gz RSELYCDJIFSEKC-SNVBAGLBSA-N -1 3 201.266 0.995 20 0 BCADHM CCCO[N-]C(=O)CCc1ncccn1 ZINC000844088202 588165872 /nfs/dbraw/zinc/16/58/72/588165872.db2.gz MTTAPIRSIDYTBA-UHFFFAOYSA-N -1 3 209.249 0.867 20 0 BCADHM O=C([N-][C@H]1C[C@@H]2CCCCN2C1=O)C(F)F ZINC000844558925 588202247 /nfs/dbraw/zinc/20/22/47/588202247.db2.gz DLUKTZKZTKJVAF-BQBZGAKWSA-N -1 3 232.230 0.521 20 0 BCADHM COc1cccnc1C[N-]C(=O)C(F)F ZINC000844564058 588203221 /nfs/dbraw/zinc/20/32/21/588203221.db2.gz NWRAEOMWKNDKMV-UHFFFAOYSA-N -1 3 216.187 0.972 20 0 BCADHM CCCCOC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845369296 588228121 /nfs/dbraw/zinc/22/81/21/588228121.db2.gz RVNASLLILVYKTF-SSDOTTSWSA-N -1 3 221.278 0.021 20 0 BCADHM O=C(OC1CCCC1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845375694 588228242 /nfs/dbraw/zinc/22/82/42/588228242.db2.gz NIQBXILMOVWPPZ-MRVPVSSYSA-N -1 3 233.289 0.164 20 0 BCADHM O=C(OCC1CCC1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845373485 588228262 /nfs/dbraw/zinc/22/82/62/588228262.db2.gz SKNNPBZCHUSVHX-QMMMGPOBSA-N -1 3 233.289 0.021 20 0 BCADHM CC[C@H](C)COC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845373113 588228365 /nfs/dbraw/zinc/22/83/65/588228365.db2.gz NAEYCEBQPFCYHP-YUMQZZPRSA-N -1 3 235.305 0.267 20 0 BCADHM O=C(OCC1CCCC1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845371091 588228426 /nfs/dbraw/zinc/22/84/26/588228426.db2.gz UDNJDEGKXTUGDO-VIFPVBQESA-N -1 3 247.316 0.412 20 0 BCADHM O=C(OC1(C2CC2)CC1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845477890 588229993 /nfs/dbraw/zinc/22/99/93/588229993.db2.gz VDWROHMQGODQSP-QMMMGPOBSA-N -1 3 245.300 0.164 20 0 BCADHM CC1(OC(=O)[C@H]2CCS(=O)(=O)[N-]2)CCC1 ZINC000845484267 588230200 /nfs/dbraw/zinc/23/02/00/588230200.db2.gz RJXFCWYQKGZLCR-SSDOTTSWSA-N -1 3 233.289 0.164 20 0 BCADHM CCCC[C@H](C)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845492107 588230802 /nfs/dbraw/zinc/23/08/02/588230802.db2.gz FDUYIXSGGRYGIV-IUCAKERBSA-N -1 3 249.332 0.800 20 0 BCADHM CC1(CCOC(=O)[C@@H]2CCS(=O)(=O)[N-]2)CC1 ZINC000845531935 588232240 /nfs/dbraw/zinc/23/22/40/588232240.db2.gz GNPRMZCJAFIXRX-QMMMGPOBSA-N -1 3 247.316 0.412 20 0 BCADHM C[C@@H](COC(=O)[C@H]1CCS(=O)(=O)[N-]1)C1CC1 ZINC000845544357 588232847 /nfs/dbraw/zinc/23/28/47/588232847.db2.gz BADJRGIBTTYVNI-IONNQARKSA-N -1 3 247.316 0.267 20 0 BCADHM CC1(COC(=O)[C@@H]2CCS(=O)(=O)[N-]2)CC1 ZINC000845547685 588233332 /nfs/dbraw/zinc/23/33/32/588233332.db2.gz VLTMMUOWTQQCLM-ZETCQYMHSA-N -1 3 233.289 0.021 20 0 BCADHM CC1(COC(=O)[C@H]2CCS(=O)(=O)[N-]2)CC1 ZINC000845547683 588233366 /nfs/dbraw/zinc/23/33/66/588233366.db2.gz VLTMMUOWTQQCLM-SSDOTTSWSA-N -1 3 233.289 0.021 20 0 BCADHM CCC1(COC(=O)[C@H]2CCS(=O)(=O)[N-]2)CC1 ZINC000845579389 588233978 /nfs/dbraw/zinc/23/39/78/588233978.db2.gz UVOBSEIJJIXGEQ-MRVPVSSYSA-N -1 3 247.316 0.412 20 0 BCADHM CCO[N-]C(=O)CNCc1ccn(C)c1 ZINC000846084529 588256022 /nfs/dbraw/zinc/25/60/22/588256022.db2.gz FHQATLZIAZBAGH-UHFFFAOYSA-N -1 3 211.265 0.182 20 0 BCADHM CCO[N-]C(=O)CNCc1sc(C)nc1C ZINC000846089248 588256098 /nfs/dbraw/zinc/25/60/98/588256098.db2.gz QDJTUNSDSKBKTR-UHFFFAOYSA-N -1 3 243.332 0.917 20 0 BCADHM CCO[N-]C(=O)CN[C@@H]1CC[C@H]1SC ZINC000846090916 588256362 /nfs/dbraw/zinc/25/63/62/588256362.db2.gz NBTIXAHNZWLUBD-HTQZYQBOSA-N -1 3 218.322 0.538 20 0 BCADHM COC1(C(=O)[N-]OC2CCN(C)CC2)CC1 ZINC000846651607 588280985 /nfs/dbraw/zinc/28/09/85/588280985.db2.gz QREYDMPIQAYKJT-UHFFFAOYSA-N -1 3 228.292 0.307 20 0 BCADHM C[C@@H](NC1CC1)C(=O)N(CC(=O)[O-])C1CCC1 ZINC000846757774 588286187 /nfs/dbraw/zinc/28/61/87/588286187.db2.gz HUXKARRPVBBFKB-MRVPVSSYSA-N -1 3 240.303 0.593 20 0 BCADHM C/C(=C\c1ccccn1)C(=O)[N-]OCCO ZINC000847756493 588329105 /nfs/dbraw/zinc/32/91/05/588329105.db2.gz IRFHJRUXSFXILH-CMDGGOBGSA-N -1 3 222.244 0.525 20 0 BCADHM C/C(=C/c1ccncc1)C(=O)[N-]OCCO ZINC000847757297 588329363 /nfs/dbraw/zinc/32/93/63/588329363.db2.gz XSGVNCZUTGEFCG-HJWRWDBZSA-N -1 3 222.244 0.525 20 0 BCADHM C/C(=C\c1ccncc1)C(=O)[N-]OCCO ZINC000847757296 588329542 /nfs/dbraw/zinc/32/95/42/588329542.db2.gz XSGVNCZUTGEFCG-CMDGGOBGSA-N -1 3 222.244 0.525 20 0 BCADHM C[C@H]1C[C@@H]([N-]C(=O)C(C)(F)F)C(=O)O1 ZINC000848076659 588354779 /nfs/dbraw/zinc/35/47/79/588354779.db2.gz XUNSCJRVMAPNFI-CRCLSJGQSA-N -1 3 207.176 0.462 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cccc([O-])c2)C(=O)O1 ZINC000848078338 588354969 /nfs/dbraw/zinc/35/49/69/588354969.db2.gz SMGLLQBUWSQAKL-GMSGAONNSA-N -1 3 235.239 0.826 20 0 BCADHM CC(C)O[N-]C(=O)CN1CC[C@@H](C)C1 ZINC000848163237 588363145 /nfs/dbraw/zinc/36/31/45/588363145.db2.gz YDFXIDNSOPIMKM-SECBINFHSA-N -1 3 200.282 0.784 20 0 BCADHM CCCO[N-]C(=O)CN1CC[C@@H](C)C1 ZINC000848237738 588366653 /nfs/dbraw/zinc/36/66/53/588366653.db2.gz ASDPCTWQDUUPAU-SECBINFHSA-N -1 3 200.282 0.786 20 0 BCADHM O=C(O[C@H]1CCOC1=O)c1ccc([O-])cc1O ZINC000849120796 588452990 /nfs/dbraw/zinc/45/29/90/588452990.db2.gz YFSSQCSVYNZQJH-VIFPVBQESA-N -1 3 238.195 0.570 20 0 BCADHM O=C(N[C@H]1CCOC1=O)c1ccc2n[n-]nc2c1 ZINC000849212591 588461422 /nfs/dbraw/zinc/46/14/22/588461422.db2.gz IQTQEOORLZHDEG-QMMMGPOBSA-N -1 3 246.226 0.003 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)OCCC1CCC1 ZINC000849727168 588490443 /nfs/dbraw/zinc/49/04/43/588490443.db2.gz AWJKZSIZJLGNBR-UHFFFAOYSA-N -1 3 240.259 0.272 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1cc[nH]n1 ZINC000849769208 588496200 /nfs/dbraw/zinc/49/62/00/588496200.db2.gz UJLUCRGDNJVOIH-UHFFFAOYSA-N -1 3 207.193 0.193 20 0 BCADHM CO[C@@H](COC(=O)c1cnn[n-]1)C1CCC1 ZINC000849776272 588497331 /nfs/dbraw/zinc/49/73/31/588497331.db2.gz HJZHWPRQSPIRID-VIFPVBQESA-N -1 3 225.248 0.777 20 0 BCADHM CO[C@@H](COC(=O)c1c[n-]nn1)C1CCC1 ZINC000849776272 588497332 /nfs/dbraw/zinc/49/73/32/588497332.db2.gz HJZHWPRQSPIRID-VIFPVBQESA-N -1 3 225.248 0.777 20 0 BCADHM O=C(Nc1ccncc1[O-])c1cccc[n+]1[O-] ZINC000109890505 588600657 /nfs/dbraw/zinc/60/06/57/588600657.db2.gz KVJGTTNHTPNZKP-UHFFFAOYSA-N -1 3 231.211 0.673 20 0 BCADHM O=C([N-]c1ccncc1O)c1cccc[n+]1[O-] ZINC000109890505 588600658 /nfs/dbraw/zinc/60/06/58/588600658.db2.gz KVJGTTNHTPNZKP-UHFFFAOYSA-N -1 3 231.211 0.673 20 0 BCADHM CN(C)C(=O)c1nnc2ccccc2c1[O-] ZINC000109935522 588602326 /nfs/dbraw/zinc/60/23/26/588602326.db2.gz VPAYACYQMIAZRT-UHFFFAOYSA-N -1 3 217.228 0.625 20 0 BCADHM C[C@@H](C(=O)[O-])N(C[C@H](O)C(F)(F)F)C1CC1 ZINC000851706442 588615097 /nfs/dbraw/zinc/61/50/97/588615097.db2.gz OAFLSSNNGGFSEV-FSPLSTOPSA-N -1 3 241.209 0.847 20 0 BCADHM CO[C@H]1CCN(CCF)[C@H](C(=O)[O-])C1 ZINC000851708526 588615397 /nfs/dbraw/zinc/61/53/97/588615397.db2.gz WLXIZNQDBMZPLC-YUMQZZPRSA-N -1 3 205.229 0.520 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C2(CO)CC2)o1 ZINC000851776586 588626265 /nfs/dbraw/zinc/62/62/65/588626265.db2.gz UXRUCJDVMIOROZ-UHFFFAOYSA-N -1 3 231.273 0.391 20 0 BCADHM CO[C@@H]1CC[C@@H](N(C)Cc2n[n-]c(=O)o2)C1 ZINC000852187808 588671154 /nfs/dbraw/zinc/67/11/54/588671154.db2.gz UKZPXAFKTGZGNS-HTQZYQBOSA-N -1 3 227.264 0.775 20 0 BCADHM Cc1cc(=O)[n-]c(CN2C[C@H]3COC[C@@]3(C)C2)n1 ZINC000852534612 588688900 /nfs/dbraw/zinc/68/89/00/588688900.db2.gz NQEYEZUJIJHSKJ-GXFFZTMASA-N -1 3 249.314 0.959 20 0 BCADHM NCc1cc(=O)[n-]c(CNC(=O)C=C2CCC2)n1 ZINC000852919386 588713396 /nfs/dbraw/zinc/71/33/96/588713396.db2.gz VNUPLKNGFLCTQW-UHFFFAOYSA-N -1 3 248.286 0.367 20 0 BCADHM C[C@@H](CC(=O)[N-]OCCO)c1ccco1 ZINC000860939711 589135732 /nfs/dbraw/zinc/13/57/32/589135732.db2.gz ONFWOAJWUMIYQX-QMMMGPOBSA-N -1 3 213.233 0.813 20 0 BCADHM COc1cc(NC([O-])=NOC(C)(C)CO)[nH]n1 ZINC000861379778 589161887 /nfs/dbraw/zinc/16/18/87/589161887.db2.gz OGUSQLKEGISKPI-UHFFFAOYSA-N -1 3 244.251 0.242 20 0 BCADHM COc1cc(NC(=O)[N-]OC(C)(C)CO)[nH]n1 ZINC000861379778 589161888 /nfs/dbraw/zinc/16/18/88/589161888.db2.gz OGUSQLKEGISKPI-UHFFFAOYSA-N -1 3 244.251 0.242 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC2(C1)CCOC2 ZINC000861846971 589180426 /nfs/dbraw/zinc/18/04/26/589180426.db2.gz SGKXGLIXIWISMC-UHFFFAOYSA-N -1 3 235.243 0.045 20 0 BCADHM O=C(N[C@H]1CCn2ccnc21)c1cc(=O)[n-]cn1 ZINC000861854681 589180726 /nfs/dbraw/zinc/18/07/26/589180726.db2.gz ZHCBPZGHFRAKQT-ZETCQYMHSA-N -1 3 245.242 0.254 20 0 BCADHM CC(C)O[N-]C(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC000861880064 589181553 /nfs/dbraw/zinc/18/15/53/589181553.db2.gz YXQLIYMTMWMXOU-HTQZYQBOSA-N -1 3 214.265 0.357 20 0 BCADHM O=C(NC[C@@H]1COCO1)c1ccccc1[O-] ZINC000861964006 589185063 /nfs/dbraw/zinc/18/50/63/589185063.db2.gz BRSXQMGVQSMSIJ-MRVPVSSYSA-N -1 3 223.228 0.495 20 0 BCADHM Cc1ccc(C(=O)NC[C@@H]2COCO2)c([O-])c1 ZINC000861975760 589187726 /nfs/dbraw/zinc/18/77/26/589187726.db2.gz REEYVSJAINAGCF-SECBINFHSA-N -1 3 237.255 0.803 20 0 BCADHM CC(C)[C@H](NC=O)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000862043034 589190606 /nfs/dbraw/zinc/19/06/06/589190606.db2.gz BHBNJGKVCHIHLN-SFYZADRCSA-N -1 3 243.332 0.365 20 0 BCADHM Cc1ccncc1C(=O)[N-]N1CCOC1=O ZINC000862701005 589233818 /nfs/dbraw/zinc/23/38/18/589233818.db2.gz HLHHLXASGVZBCV-UHFFFAOYSA-N -1 3 221.216 0.487 20 0 BCADHM CONC(=O)NCc1ccc([O-])c(F)c1 ZINC000119066253 589237317 /nfs/dbraw/zinc/23/73/17/589237317.db2.gz GWCNEZURTLQJLY-UHFFFAOYSA-N -1 3 214.196 0.892 20 0 BCADHM CCn1nc(C)cc1NC(=O)c1n[n-]nc1C ZINC000863379938 589285177 /nfs/dbraw/zinc/28/51/77/589285177.db2.gz KLPSVOVDLPVGBJ-UHFFFAOYSA-N -1 3 234.263 0.890 20 0 BCADHM CC(=O)[N-]OCc1cc(Cl)n(C)n1 ZINC000863456056 589289444 /nfs/dbraw/zinc/28/94/44/589289444.db2.gz DYTDNUQRGRUTCY-UHFFFAOYSA-N -1 3 203.629 0.641 20 0 BCADHM O=C(CCc1cn[nH]c1)[N-]OC[C@H]1CCOC1 ZINC000863909629 589325362 /nfs/dbraw/zinc/32/53/62/589325362.db2.gz YUDVYURXONCJMY-JTQLQIEISA-N -1 3 239.275 0.427 20 0 BCADHM CC(=O)[N-]OCC(=O)N[C@H](C)C(C)C ZINC000119921556 589348432 /nfs/dbraw/zinc/34/84/32/589348432.db2.gz PFNTZPRRQRVVMJ-SSDOTTSWSA-N -1 3 202.254 0.215 20 0 BCADHM CC(=O)[N-]OCC(=O)Nc1ccccc1 ZINC000119924365 589348343 /nfs/dbraw/zinc/34/83/43/589348343.db2.gz SUMJNXBVKIBJIR-UHFFFAOYSA-N -1 3 208.217 0.693 20 0 BCADHM CC(=O)[N-]OCC(=O)N1CCCCCC1 ZINC000119927368 589348438 /nfs/dbraw/zinc/34/84/38/589348438.db2.gz GIJUPMMAKJDIFJ-UHFFFAOYSA-N -1 3 214.265 0.457 20 0 BCADHM CC[C@@H](NC(C)=O)C(=O)[N-]C1=NCCS1 ZINC000864604200 589382383 /nfs/dbraw/zinc/38/23/83/589382383.db2.gz QLXOHNVCWIIXNF-SSDOTTSWSA-N -1 3 229.305 0.120 20 0 BCADHM CSCC[C@H](C)NC(=O)c1c[n-]nn1 ZINC000120585406 589440235 /nfs/dbraw/zinc/44/02/35/589440235.db2.gz HBPLTBLGBBILCT-LURJTMIESA-N -1 3 214.294 0.676 20 0 BCADHM CSCC[C@H](C)NC(=O)c1cnn[n-]1 ZINC000120585406 589440236 /nfs/dbraw/zinc/44/02/36/589440236.db2.gz HBPLTBLGBBILCT-LURJTMIESA-N -1 3 214.294 0.676 20 0 BCADHM CSCC[C@H](C)NC(=O)c1cn[n-]n1 ZINC000120585406 589440238 /nfs/dbraw/zinc/44/02/38/589440238.db2.gz HBPLTBLGBBILCT-LURJTMIESA-N -1 3 214.294 0.676 20 0 BCADHM O=c1[nH][n-]cc1CCCNc1cnc(F)cn1 ZINC000865942220 589469591 /nfs/dbraw/zinc/46/95/91/589469591.db2.gz PWXUBVQRUQLRMT-ZETCQYMHSA-N -1 3 237.238 0.540 20 0 BCADHM CCC[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000866387086 589489223 /nfs/dbraw/zinc/48/92/23/589489223.db2.gz MBLWAEXJPXNIOG-LBPRGKRZSA-N -1 3 228.339 0.349 20 0 BCADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866495338 589497575 /nfs/dbraw/zinc/49/75/75/589497575.db2.gz BDUZFQAVMNYKDD-NKWVEPMBSA-N -1 3 240.350 0.204 20 0 BCADHM CCOCCO[N-]C(=O)CCC1(O)CCC1 ZINC000867490838 589522291 /nfs/dbraw/zinc/52/22/91/589522291.db2.gz CYAJKNVLGQHAQP-UHFFFAOYSA-N -1 3 231.292 0.766 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H]1C=CCC1 ZINC000867505694 589523275 /nfs/dbraw/zinc/52/32/75/589523275.db2.gz BKMUCQFUKLTBIO-QMMMGPOBSA-N -1 3 228.273 0.980 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1C=CCC1 ZINC000867505693 589523353 /nfs/dbraw/zinc/52/33/53/589523353.db2.gz BKMUCQFUKLTBIO-MRVPVSSYSA-N -1 3 228.273 0.980 20 0 BCADHM CCOC(=O)[C@@H](CC=C(C)C)[N-]S(C)(=O)=O ZINC000867759759 589533314 /nfs/dbraw/zinc/53/33/14/589533314.db2.gz RTEXPZNHGZPKIB-SECBINFHSA-N -1 3 249.332 0.824 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)C1C=NC(=O)N1C ZINC000868522380 589562370 /nfs/dbraw/zinc/56/23/70/589562370.db2.gz GWBNLRHOIOJPMW-SSDOTTSWSA-N -1 3 227.264 0.833 20 0 BCADHM CC/C=C(/F)C(=O)[N-]N1CCOC1=O ZINC000869405964 589604056 /nfs/dbraw/zinc/60/40/56/589604056.db2.gz HZWFHKYZPULJDC-ZZXKWVIFSA-N -1 3 202.185 0.733 20 0 BCADHM Cc1cc(F)ncc1C(=O)[N-]N1CCOC1=O ZINC000869405573 589604086 /nfs/dbraw/zinc/60/40/86/589604086.db2.gz AAMGOQHUJUQBMM-UHFFFAOYSA-N -1 3 239.206 0.626 20 0 BCADHM O=C(OCCCC1CC1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000869547145 589613192 /nfs/dbraw/zinc/61/31/92/589613192.db2.gz JTTZKUWDSXBHRR-SECBINFHSA-N -1 3 247.316 0.412 20 0 BCADHM O=C(OCCCO)c1cn[n-]c1[C@@H]1CCCO1 ZINC000869902838 589637039 /nfs/dbraw/zinc/63/70/39/589637039.db2.gz ZGKFTYBIMGVGLD-VIFPVBQESA-N -1 3 240.259 0.800 20 0 BCADHM O=C(OCCCO)c1c[n-]nc1[C@@H]1CCCO1 ZINC000869902838 589637040 /nfs/dbraw/zinc/63/70/40/589637040.db2.gz ZGKFTYBIMGVGLD-VIFPVBQESA-N -1 3 240.259 0.800 20 0 BCADHM CCNC(=O)CCCC(=O)[N-]OCC(C)C ZINC000123162503 589670661 /nfs/dbraw/zinc/67/06/61/589670661.db2.gz WHYMFXDIJUIAHK-UHFFFAOYSA-N -1 3 230.308 0.997 20 0 BCADHM COC(=O)c1coc(C[N-]C(=O)C(F)F)c1 ZINC000871060517 589719102 /nfs/dbraw/zinc/71/91/02/589719102.db2.gz QKSVRFQXRPKABO-UHFFFAOYSA-N -1 3 233.170 0.948 20 0 BCADHM CS[C@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)C1 ZINC000871099514 589727061 /nfs/dbraw/zinc/72/70/61/589727061.db2.gz UIIXLUIMXIIBKL-LJGSYFOKSA-N -1 3 239.300 0.806 20 0 BCADHM CC(C)(NC(=O)c1c[n-]nn1)[C@@H]1CCCCO1 ZINC000871166750 589742195 /nfs/dbraw/zinc/74/21/95/589742195.db2.gz WWYHRZHUFBYMHT-VIFPVBQESA-N -1 3 238.291 0.882 20 0 BCADHM CC(C)(NC(=O)c1cnn[n-]1)[C@@H]1CCCCO1 ZINC000871166750 589742198 /nfs/dbraw/zinc/74/21/98/589742198.db2.gz WWYHRZHUFBYMHT-VIFPVBQESA-N -1 3 238.291 0.882 20 0 BCADHM CC(C)(NC(=O)c1cn[n-]n1)[C@@H]1CCCCO1 ZINC000871166750 589742199 /nfs/dbraw/zinc/74/21/99/589742199.db2.gz WWYHRZHUFBYMHT-VIFPVBQESA-N -1 3 238.291 0.882 20 0 BCADHM CCN(CC(F)(F)F)C(=O)CO[N-]C(C)=O ZINC000871729623 589800006 /nfs/dbraw/zinc/80/00/06/589800006.db2.gz WPJDIWBFEUAHPC-UHFFFAOYSA-N -1 3 242.197 0.465 20 0 BCADHM Cc1oc(=O)n(CC(=O)NCC(C)C)c1[O-] ZINC000871782065 589817188 /nfs/dbraw/zinc/81/71/88/589817188.db2.gz KRLLVJYETRGIDP-ZETCQYMHSA-N -1 3 228.248 0.126 20 0 BCADHM CC(C)[C@@H](NCc1ccn(C)n1)C(=O)[O-] ZINC000123954119 589869223 /nfs/dbraw/zinc/86/92/23/589869223.db2.gz XRPMXSLJLXKMRE-SECBINFHSA-N -1 3 211.265 0.619 20 0 BCADHM CC[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872430727 589939079 /nfs/dbraw/zinc/93/90/79/589939079.db2.gz YBXVBMCFQBNUOZ-ZDUSSCGKSA-N -1 3 242.366 0.737 20 0 BCADHM CNC(=O)C1CN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872512082 589946058 /nfs/dbraw/zinc/94/60/58/589946058.db2.gz PTBCNOKIHXVUCR-UHFFFAOYSA-N -1 3 242.666 0.018 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CC[C@@](F)(CO)C1 ZINC000872537476 589948592 /nfs/dbraw/zinc/94/85/92/589948592.db2.gz AUSFCIAOLOXPLC-VIFPVBQESA-N -1 3 247.657 0.746 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@H]2CC23CCC3)c1 ZINC000872651894 589959623 /nfs/dbraw/zinc/95/96/23/589959623.db2.gz LEJRRJHLNMYDAF-QMMMGPOBSA-N -1 3 241.316 0.641 20 0 BCADHM C[C@H](N)CNc1cc(Cl)[n-]c(=O)n1 ZINC000872775828 589968514 /nfs/dbraw/zinc/96/85/14/589968514.db2.gz USXSQIQZTWSWAB-BYPYZUCNSA-N -1 3 202.645 0.595 20 0 BCADHM CC[C@@H](OC(=O)c1n[n-]nc1C)C(C)=O ZINC000873386774 590035870 /nfs/dbraw/zinc/03/58/70/590035870.db2.gz MXLZRDKWENUQCL-SSDOTTSWSA-N -1 3 211.221 0.638 20 0 BCADHM O=C(OC[C@@H]1CC2(CCC2)CO1)c1cnn[n-]1 ZINC000873393935 590037369 /nfs/dbraw/zinc/03/73/69/590037369.db2.gz SRAWYYYDFXWAFZ-QMMMGPOBSA-N -1 3 237.259 0.921 20 0 BCADHM O=C(OC[C@@H]1CC2(CCC2)CO1)c1c[n-]nn1 ZINC000873393935 590037371 /nfs/dbraw/zinc/03/73/71/590037371.db2.gz SRAWYYYDFXWAFZ-QMMMGPOBSA-N -1 3 237.259 0.921 20 0 BCADHM O=C(CN1CCCC1)[N-]C1=NCCS1 ZINC000873838001 590073964 /nfs/dbraw/zinc/07/39/64/590073964.db2.gz NLTSGWUSPYHKGV-UHFFFAOYSA-N -1 3 213.306 0.301 20 0 BCADHM CCc1c[nH]c(CC(=O)[N-]C2=NCCS2)n1 ZINC000873837886 590074153 /nfs/dbraw/zinc/07/41/53/590074153.db2.gz KDUMAQRPBVGSDG-UHFFFAOYSA-N -1 3 238.316 0.734 20 0 BCADHM O=C(N[C@H]1CC12CCC2)c1cc(=O)[n-]cn1 ZINC000874775157 590128478 /nfs/dbraw/zinc/12/84/78/590128478.db2.gz RYDMTUDNHAKGDS-QMMMGPOBSA-N -1 3 219.244 0.855 20 0 BCADHM C/C(=C\CN1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000125471751 590165331 /nfs/dbraw/zinc/16/53/31/590165331.db2.gz PMZQRKGUHLUPAC-WTDSWWLTSA-N -1 3 241.287 0.856 20 0 BCADHM Cc1nocc1NC([O-])=NOC(C)(C)CO ZINC000888726580 590197609 /nfs/dbraw/zinc/19/76/09/590197609.db2.gz JPSHMRZMIAXKEO-UHFFFAOYSA-N -1 3 229.236 0.807 20 0 BCADHM Cc1nocc1NC(=O)[N-]OC(C)(C)CO ZINC000888726580 590197610 /nfs/dbraw/zinc/19/76/10/590197610.db2.gz JPSHMRZMIAXKEO-UHFFFAOYSA-N -1 3 229.236 0.807 20 0 BCADHM CCO[N-]C(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000876706348 590232202 /nfs/dbraw/zinc/23/22/02/590232202.db2.gz OMVMRHFWPIRDTH-NSHDSACASA-N -1 3 238.287 0.633 20 0 BCADHM COCCON=C([O-])Nc1conc1C ZINC000888732191 590233494 /nfs/dbraw/zinc/23/34/94/590233494.db2.gz RJBFFYJSGVJULC-UHFFFAOYSA-N -1 3 215.209 0.683 20 0 BCADHM COCCO[N-]C(=O)Nc1conc1C ZINC000888732191 590233496 /nfs/dbraw/zinc/23/34/96/590233496.db2.gz RJBFFYJSGVJULC-UHFFFAOYSA-N -1 3 215.209 0.683 20 0 BCADHM C=C/C=C\CCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000877889674 590440324 /nfs/dbraw/zinc/44/03/24/590440324.db2.gz KSVDIEXDDURREL-SSJHQANKSA-N -1 3 244.316 0.526 20 0 BCADHM O=C(NCCO)NCc1cc([O-])ccc1Cl ZINC000878420023 590564383 /nfs/dbraw/zinc/56/43/83/590564383.db2.gz JIARABHDLODBTR-UHFFFAOYSA-N -1 3 244.678 0.837 20 0 BCADHM CCC(O)(CC)C(C)(C)NCc1n[nH]c(=O)[n-]1 ZINC000879697613 590851220 /nfs/dbraw/zinc/85/12/20/590851220.db2.gz GJWGXMISHPOQPB-UHFFFAOYSA-N -1 3 242.323 0.930 20 0 BCADHM CC[C@H](C)[C@H](C)NCc1cn(CC(=O)[O-])nn1 ZINC000318814085 605002686 /nfs/dbraw/zinc/00/26/86/605002686.db2.gz XAAFALGIZUGDRO-IUCAKERBSA-N -1 3 240.307 0.887 20 0 BCADHM CN1CCC[C@@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC000880136928 590940635 /nfs/dbraw/zinc/94/06/35/590940635.db2.gz VCNORUSEZFBNPL-DTWKUNHWSA-N -1 3 237.307 0.179 20 0 BCADHM COC(=O)CCCO[N-]C(=O)/C=C\SC ZINC000888816426 591049378 /nfs/dbraw/zinc/04/93/78/591049378.db2.gz KSXYRMUPQAVRKA-ALCCZGGFSA-N -1 3 233.289 0.864 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CCCCO ZINC000888817186 591051404 /nfs/dbraw/zinc/05/14/04/591051404.db2.gz YINWIUMDSYJHPT-UHFFFAOYSA-N -1 3 233.264 0.150 20 0 BCADHM C[C@H](O)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC000095225399 598943449 /nfs/dbraw/zinc/94/34/49/598943449.db2.gz WXVMXQVHBVTZSE-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](O)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC000095225399 598943451 /nfs/dbraw/zinc/94/34/51/598943451.db2.gz WXVMXQVHBVTZSE-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)C1(F)CC1 ZINC000880513593 591081836 /nfs/dbraw/zinc/08/18/36/591081836.db2.gz MZXSNAUMBXIAKN-UHFFFAOYSA-N -1 3 243.263 0.589 20 0 BCADHM CC(C)(F)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880514528 591083086 /nfs/dbraw/zinc/08/30/86/591083086.db2.gz AZQGHVSQBXPJGT-UHFFFAOYSA-N -1 3 245.279 0.835 20 0 BCADHM CC(C)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880516183 591083427 /nfs/dbraw/zinc/08/34/27/591083427.db2.gz FBLACFJPSPOFPP-UHFFFAOYSA-N -1 3 227.289 0.743 20 0 BCADHM CSCC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880516115 591083723 /nfs/dbraw/zinc/08/37/23/591083723.db2.gz PDNIPOLLPIKDMR-UHFFFAOYSA-N -1 3 245.329 0.450 20 0 BCADHM CCc1cc(=O)[n-]c(Cn2cc([C@@H](C)O)nn2)n1 ZINC000881357422 591195336 /nfs/dbraw/zinc/19/53/36/591195336.db2.gz UKABGXRFROLGKU-SSDOTTSWSA-N -1 3 249.274 0.438 20 0 BCADHM C/C(=C/CN1CCC(OCCO)CC1)C(=O)[O-] ZINC000211783524 591266650 /nfs/dbraw/zinc/26/66/50/591266650.db2.gz LJXKISVFESZVHL-SGAXSIHGSA-N -1 3 243.303 0.491 20 0 BCADHM Cc1nonc1C[N-]S(=O)(=O)C1CCC1 ZINC000881944157 591282533 /nfs/dbraw/zinc/28/25/33/591282533.db2.gz IBJZENQIBKPDKJ-UHFFFAOYSA-N -1 3 231.277 0.350 20 0 BCADHM CC(C)C(=O)N(C)CSc1n[n-]c(CO)n1 ZINC000882157474 591308471 /nfs/dbraw/zinc/30/84/71/591308471.db2.gz KPGPXQMNRWVCHO-UHFFFAOYSA-N -1 3 244.320 0.461 20 0 BCADHM CC1(C)OC[C@@H](CSCCc2nnn[n-]2)O1 ZINC000882189059 591313341 /nfs/dbraw/zinc/31/33/41/591313341.db2.gz MNJGAJLMBNUBGX-ZETCQYMHSA-N -1 3 244.320 0.627 20 0 BCADHM CC1(C)OC[C@@H](CSCCc2nn[n-]n2)O1 ZINC000882189059 591313343 /nfs/dbraw/zinc/31/33/43/591313343.db2.gz MNJGAJLMBNUBGX-ZETCQYMHSA-N -1 3 244.320 0.627 20 0 BCADHM Cc1ccnc(CSCCc2nnn[n-]2)n1 ZINC000882187140 591313372 /nfs/dbraw/zinc/31/33/72/591313372.db2.gz GSBZXOAJUGFRTJ-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM Cc1ccnc(CSCCc2nn[n-]n2)n1 ZINC000882187140 591313375 /nfs/dbraw/zinc/31/33/75/591313375.db2.gz GSBZXOAJUGFRTJ-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM CC(C)Cc1noc(Cn2c([O-])coc2=O)n1 ZINC000882273514 591323787 /nfs/dbraw/zinc/32/37/87/591323787.db2.gz PJMZEXMHHYYPIC-UHFFFAOYSA-N -1 3 239.231 0.747 20 0 BCADHM COC(=O)c1occc1Cn1c([O-])coc1=O ZINC000882273710 591323856 /nfs/dbraw/zinc/32/38/56/591323856.db2.gz UNVSHNPYXCWWMW-UHFFFAOYSA-N -1 3 239.183 0.545 20 0 BCADHM CC(C)[C@@H](C)NC(=O)Cn1c([O-])coc1=O ZINC000882272555 591324136 /nfs/dbraw/zinc/32/41/36/591324136.db2.gz SOXOBQMGUJRVDF-SSDOTTSWSA-N -1 3 228.248 0.126 20 0 BCADHM Cc1ccccc1NC(=O)Cn1c([O-])coc1=O ZINC000882272796 591324219 /nfs/dbraw/zinc/32/42/19/591324219.db2.gz XGFPWFMRMFVHJG-UHFFFAOYSA-N -1 3 248.238 0.912 20 0 BCADHM CC(C)(C)c1nc(Cn2c([O-])coc2=O)no1 ZINC000882273844 591324250 /nfs/dbraw/zinc/32/42/50/591324250.db2.gz PPJRSBBDOQKFQZ-UHFFFAOYSA-N -1 3 239.231 0.846 20 0 BCADHM CC(C)O[C@@]1(Cn2c([O-])coc2=O)CCOC1 ZINC000882276064 591324477 /nfs/dbraw/zinc/32/44/77/591324477.db2.gz AYLFCZBDZJCHAS-LLVKDONJSA-N -1 3 243.259 0.549 20 0 BCADHM CNC(=O)c1ccc(Cn2c([O-])coc2=O)cc1 ZINC000882275993 591324957 /nfs/dbraw/zinc/32/49/57/591324957.db2.gz WQPTXUGEURDOLH-UHFFFAOYSA-N -1 3 248.238 0.525 20 0 BCADHM CCO[C@@H](Cn1c([O-])coc1=O)C1CC1 ZINC000882276789 591325260 /nfs/dbraw/zinc/32/52/60/591325260.db2.gz OMURZBITWHALRT-QMMMGPOBSA-N -1 3 213.233 0.780 20 0 BCADHM O=S(=O)([N-][C@@H]1CC[C@H]1O)c1cccnc1F ZINC000882277533 591325459 /nfs/dbraw/zinc/32/54/59/591325459.db2.gz BBWMFDYWFLUYPP-RNFRBKRXSA-N -1 3 246.263 0.022 20 0 BCADHM CC(C)OCCON=c1cc(C(N)=O)[n-]cn1 ZINC000882391000 591341687 /nfs/dbraw/zinc/34/16/87/591341687.db2.gz PYBHMAASQZONSB-UHFFFAOYSA-N -1 3 240.263 0.344 20 0 BCADHM O=S(=O)([N-]CC1COC1)c1cccnc1F ZINC000882460450 591351561 /nfs/dbraw/zinc/35/15/61/591351561.db2.gz QSCMDWRCFLYYLU-UHFFFAOYSA-N -1 3 246.263 0.145 20 0 BCADHM C[C@H](O)CSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000882737928 591424857 /nfs/dbraw/zinc/42/48/57/591424857.db2.gz CQKVFQWKXXBQBG-YFKPBYRVSA-N -1 3 240.288 0.542 20 0 BCADHM COC[C@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000882906114 591472733 /nfs/dbraw/zinc/47/27/33/591472733.db2.gz MJBNHHWAAGOKRC-OCAPTIKFSA-N -1 3 233.275 0.563 20 0 BCADHM C[C@H](CO)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095154982 598971458 /nfs/dbraw/zinc/97/14/58/598971458.db2.gz VWRQUFOXZYDNBJ-SFYZADRCSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@H](CO)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095154982 598971460 /nfs/dbraw/zinc/97/14/60/598971460.db2.gz VWRQUFOXZYDNBJ-SFYZADRCSA-N -1 3 248.290 0.691 20 0 BCADHM C/C(=C/CN1CCCC[C@@H]1CO)C(=O)[O-] ZINC000214654054 591702334 /nfs/dbraw/zinc/70/23/34/591702334.db2.gz JVJJZOTWZGLNFN-HYHWUIIZSA-N -1 3 213.277 0.864 20 0 BCADHM CCN(CC(=O)NC)Cc1nc(C)ccc1[O-] ZINC000132613813 591725028 /nfs/dbraw/zinc/72/50/28/591725028.db2.gz JLRIXRSVTCKXAT-UHFFFAOYSA-N -1 3 237.303 0.664 20 0 BCADHM O=C(O[C@H]1CCOC1=O)c1cccc2nn[n-]c21 ZINC000800209573 591838686 /nfs/dbraw/zinc/83/86/86/591838686.db2.gz WXFVCSMGHKUTIU-QMMMGPOBSA-N -1 3 247.210 0.430 20 0 BCADHM O=C(O[C@H]1CCOC1=O)c1cccc2[n-]nnc21 ZINC000800209573 591838688 /nfs/dbraw/zinc/83/86/88/591838688.db2.gz WXFVCSMGHKUTIU-QMMMGPOBSA-N -1 3 247.210 0.430 20 0 BCADHM O=C(O[C@H]1CCOC1=O)c1cccc2n[n-]nc21 ZINC000800209573 591838692 /nfs/dbraw/zinc/83/86/92/591838692.db2.gz WXFVCSMGHKUTIU-QMMMGPOBSA-N -1 3 247.210 0.430 20 0 BCADHM O=C(OCCCO)c1cccc2nn[n-]c21 ZINC000800207716 591839062 /nfs/dbraw/zinc/83/90/62/591839062.db2.gz DHCGDSHGQCDBGQ-UHFFFAOYSA-N -1 3 221.216 0.497 20 0 BCADHM O=C(OCCCO)c1cccc2[n-]nnc21 ZINC000800207716 591839066 /nfs/dbraw/zinc/83/90/66/591839066.db2.gz DHCGDSHGQCDBGQ-UHFFFAOYSA-N -1 3 221.216 0.497 20 0 BCADHM O=C(OCCCO)c1cccc2n[n-]nc21 ZINC000800207716 591839069 /nfs/dbraw/zinc/83/90/69/591839069.db2.gz DHCGDSHGQCDBGQ-UHFFFAOYSA-N -1 3 221.216 0.497 20 0 BCADHM CCc1nccc(SCCc2nnn[n-]2)n1 ZINC000884534491 591969297 /nfs/dbraw/zinc/96/92/97/591969297.db2.gz IGCBAFPVUNPZAV-UHFFFAOYSA-N -1 3 236.304 0.887 20 0 BCADHM CCc1nccc(SCCc2nn[n-]n2)n1 ZINC000884534491 591969299 /nfs/dbraw/zinc/96/92/99/591969299.db2.gz IGCBAFPVUNPZAV-UHFFFAOYSA-N -1 3 236.304 0.887 20 0 BCADHM C=C/C=C/CCOC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000884567634 591983281 /nfs/dbraw/zinc/98/32/81/591983281.db2.gz OCFRATAOXBVDNZ-CDAZIORVSA-N -1 3 245.300 0.354 20 0 BCADHM CN(CCO)CCNc1cc(Cl)[n-]c(=O)n1 ZINC000884826222 592024007 /nfs/dbraw/zinc/02/40/07/592024007.db2.gz PNNTWKMYABZGDL-UHFFFAOYSA-N -1 3 246.698 0.172 20 0 BCADHM Cc1c(S(=O)(=O)[N-][C@@H](C)CF)cnn1C ZINC000885409641 592076052 /nfs/dbraw/zinc/07/60/52/592076052.db2.gz UBHOYBLCDMWRGR-LURJTMIESA-N -1 3 235.284 0.365 20 0 BCADHM O=C(Nc1cccc(CCCO)c1)c1nc[n-]n1 ZINC000136272311 592104301 /nfs/dbraw/zinc/10/43/01/592104301.db2.gz FWRYDNINRDHFCA-UHFFFAOYSA-N -1 3 246.270 0.982 20 0 BCADHM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000217803178 592149278 /nfs/dbraw/zinc/14/92/78/592149278.db2.gz XTZAFCXUOIFVDQ-FKTZTGRPSA-N -1 3 238.287 0.060 20 0 BCADHM CC(C)[C@@H](O)C(=O)NCc1cncc([O-])c1 ZINC000886274856 592194658 /nfs/dbraw/zinc/19/46/58/592194658.db2.gz DYKQRWIYODQGLE-SNVBAGLBSA-N -1 3 224.260 0.420 20 0 BCADHM C=CC(=O)N(C)CC(=O)NCc1cncc([O-])c1 ZINC000886275204 592194772 /nfs/dbraw/zinc/19/47/72/592194772.db2.gz QZZOZEFFZOGDQB-UHFFFAOYSA-N -1 3 249.270 0.048 20 0 BCADHM C[C@](O)(C(=O)NCc1cncc([O-])c1)C1CC1 ZINC000886274999 592194866 /nfs/dbraw/zinc/19/48/66/592194866.db2.gz JTVUUJBADGXJGL-GFCCVEGCSA-N -1 3 236.271 0.564 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H](O)C1CC1 ZINC000886275346 592195282 /nfs/dbraw/zinc/19/52/82/592195282.db2.gz VXZYYXVOFQBVTO-SNVBAGLBSA-N -1 3 222.244 0.174 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H]1C[C@]12CCOC2 ZINC000886276510 592196083 /nfs/dbraw/zinc/19/60/83/592196083.db2.gz LBBMWSZGCLRJTF-YPMHNXCESA-N -1 3 248.282 0.830 20 0 BCADHM Cc1cc(CC(=O)NCc2cncc([O-])c2)n[nH]1 ZINC000886277982 592196245 /nfs/dbraw/zinc/19/62/45/592196245.db2.gz JQIWVOBUBKBVSG-UHFFFAOYSA-N -1 3 246.270 0.678 20 0 BCADHM Cc1cc(CC(=O)NCc2cncc([O-])c2)[nH]n1 ZINC000886277982 592196246 /nfs/dbraw/zinc/19/62/46/592196246.db2.gz JQIWVOBUBKBVSG-UHFFFAOYSA-N -1 3 246.270 0.678 20 0 BCADHM C[C@@]1(C(=O)NCc2cncc([O-])c2)CCOC1 ZINC000886276352 592196289 /nfs/dbraw/zinc/19/62/89/592196289.db2.gz GBZXJXAESFKBSI-GFCCVEGCSA-N -1 3 236.271 0.830 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H]1C[C@@]12CCOC2 ZINC000886276508 592196490 /nfs/dbraw/zinc/19/64/90/592196490.db2.gz LBBMWSZGCLRJTF-DGCLKSJQSA-N -1 3 248.282 0.830 20 0 BCADHM O=C(C[C@H]1CCOC1)NCc1cncc([O-])c1 ZINC000886276589 592196526 /nfs/dbraw/zinc/19/65/26/592196526.db2.gz NATFGXJFCDTOJU-SECBINFHSA-N -1 3 236.271 0.830 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H]1CCCO1 ZINC000886278235 592197214 /nfs/dbraw/zinc/19/72/14/592197214.db2.gz RXONZZNFIUWZNL-SNVBAGLBSA-N -1 3 222.244 0.582 20 0 BCADHM CCN(CC)CC(=O)NCc1cncc([O-])c1 ZINC000886280097 592198384 /nfs/dbraw/zinc/19/83/84/592198384.db2.gz VBLXRVLWWFZEIQ-UHFFFAOYSA-N -1 3 237.303 0.745 20 0 BCADHM CSCC(=O)NCc1cncc([O-])c1 ZINC000886283075 592198966 /nfs/dbraw/zinc/19/89/66/592198966.db2.gz GQXNLQKBGUWZJE-UHFFFAOYSA-N -1 3 212.274 0.766 20 0 BCADHM CCOCC(=O)NCc1cncc([O-])c1 ZINC000886283431 592199046 /nfs/dbraw/zinc/19/90/46/592199046.db2.gz UVAVHIWQIMIVHJ-UHFFFAOYSA-N -1 3 210.233 0.440 20 0 BCADHM Cc1cc(=O)[n-]c(N2CCN(CCF)CC2)n1 ZINC000886656430 592292077 /nfs/dbraw/zinc/29/20/77/592292077.db2.gz DZCZUKKMDJHYMN-UHFFFAOYSA-N -1 3 240.282 0.582 20 0 BCADHM CCc1onc(C)c1CNC(=O)c1c[n-]nn1 ZINC000886665018 592296869 /nfs/dbraw/zinc/29/68/69/592296869.db2.gz GQYYVVKFROHQLX-UHFFFAOYSA-N -1 3 235.247 0.594 20 0 BCADHM CCc1onc(C)c1CNC(=O)c1cnn[n-]1 ZINC000886665018 592296873 /nfs/dbraw/zinc/29/68/73/592296873.db2.gz GQYYVVKFROHQLX-UHFFFAOYSA-N -1 3 235.247 0.594 20 0 BCADHM CCc1onc(C)c1CNC(=O)c1cn[n-]n1 ZINC000886665018 592296875 /nfs/dbraw/zinc/29/68/75/592296875.db2.gz GQYYVVKFROHQLX-UHFFFAOYSA-N -1 3 235.247 0.594 20 0 BCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)C1CC=CC1 ZINC000095217068 599012929 /nfs/dbraw/zinc/01/29/29/599012929.db2.gz ZJXRQEXQQJHHTQ-UHFFFAOYSA-N -1 3 245.246 0.252 20 0 BCADHM CC(C)C[C@@H](NC(=O)[C@H](N)CC1CC1)C(=O)[O-] ZINC000302704165 592552637 /nfs/dbraw/zinc/55/26/37/592552637.db2.gz WMIPXGSIQMDYBH-NXEZZACHSA-N -1 3 242.319 0.729 20 0 BCADHM CCc1cc(C(=O)[N-]c2nnc(C)n2C)no1 ZINC000890092279 592678993 /nfs/dbraw/zinc/67/89/93/592678993.db2.gz DDUSCINOENTWSY-UHFFFAOYSA-N -1 3 235.247 0.926 20 0 BCADHM CCCC[C@@H](C(=O)[O-])N1C[C@H](O)C[C@H](O)C1 ZINC000829284770 601450435 /nfs/dbraw/zinc/45/04/35/601450435.db2.gz FTVRLFDBGVQHSB-AEJSXWLSSA-N -1 3 231.292 0.057 20 0 BCADHM O=C([O-])N1CCC[C@@H]1CNCc1cncnc1 ZINC000740522057 602594585 /nfs/dbraw/zinc/59/45/85/602594585.db2.gz YKVOFJUKAAIZOJ-SNVBAGLBSA-N -1 3 236.275 0.709 20 0 BCADHM O=C([O-])C1CCN(CC(=O)N2CCC2)CC1 ZINC000035300217 596918735 /nfs/dbraw/zinc/91/87/35/596918735.db2.gz NZPOUJAARFQXOW-UHFFFAOYSA-N -1 3 226.276 0.015 20 0 BCADHM CS/C=C/C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000390369928 596923599 /nfs/dbraw/zinc/92/35/99/596923599.db2.gz VIPVGNIIAQZRIU-QPJJXVBHSA-N -1 3 246.332 0.338 20 0 BCADHM CN1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000082246900 596929163 /nfs/dbraw/zinc/92/91/63/596929163.db2.gz SKJZSMYQNWANAO-JTQLQIEISA-N -1 3 240.303 0.404 20 0 BCADHM CCC/C=C/C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000739329833 596966967 /nfs/dbraw/zinc/96/69/67/596966967.db2.gz KFLLDGWSIPHZIL-VOTSOKGWSA-N -1 3 242.319 0.818 20 0 BCADHM C[C@@H](CC(=O)[O-])N[C@@H](C(N)=O)c1ccccc1 ZINC000738890635 597001361 /nfs/dbraw/zinc/00/13/61/597001361.db2.gz IVXKRAYMWVMNDB-GZMMTYOYSA-N -1 3 236.271 0.666 20 0 BCADHM COc1c(CN[C@@H](C)C(=O)[O-])c(C)nn1C ZINC000166654113 597013327 /nfs/dbraw/zinc/01/33/27/597013327.db2.gz NASOKERTPSNHEF-ZETCQYMHSA-N -1 3 227.264 0.300 20 0 BCADHM CC(C)[C@H](C(=O)N(C)CCC(=O)[O-])N(C)C ZINC000309653054 597059986 /nfs/dbraw/zinc/05/99/86/597059986.db2.gz YICIAPDWXKWOGC-SNVBAGLBSA-N -1 3 230.308 0.506 20 0 BCADHM C[C@@H](NCc1cn2ccccc2n1)C(=O)[O-] ZINC000035186319 597062832 /nfs/dbraw/zinc/06/28/32/597062832.db2.gz XHBCBWJAKUHFES-MRVPVSSYSA-N -1 3 219.244 0.897 20 0 BCADHM C[C@@H](C(N)=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000227106565 597075525 /nfs/dbraw/zinc/07/55/25/597075525.db2.gz FPRHWQWXEGABEY-YUMQZZPRSA-N -1 3 214.265 0.047 20 0 BCADHM CC(C)NC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000054299773 597086670 /nfs/dbraw/zinc/08/66/70/597086670.db2.gz RNLWGKPJFASVBV-SNVBAGLBSA-N -1 3 242.319 0.698 20 0 BCADHM COc1c(CNCCC(=O)[O-])c(C)nn1C ZINC000166654004 597134214 /nfs/dbraw/zinc/13/42/14/597134214.db2.gz HNZGIZITBUNXSD-UHFFFAOYSA-N -1 3 227.264 0.301 20 0 BCADHM Cc1ccc([O-])c(C[NH2+][C@H](C)C(=O)[O-])n1 ZINC000085972942 597152191 /nfs/dbraw/zinc/15/21/91/597152191.db2.gz ATTYFYJWRHWAJC-SSDOTTSWSA-N -1 3 210.233 0.658 20 0 BCADHM C[C@@H](C(=O)N1CCCCC1)N(C)CCC(=O)[O-] ZINC000037933177 597351683 /nfs/dbraw/zinc/35/16/83/597351683.db2.gz LBATUJJGPQYTQN-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM CN1CCC[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000257684920 597497179 /nfs/dbraw/zinc/49/71/79/597497179.db2.gz KLSWANIDCXGZGY-RKDXNWHRSA-N -1 3 226.276 0.014 20 0 BCADHM CC(C)CNC(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000062134275 597530944 /nfs/dbraw/zinc/53/09/44/597530944.db2.gz HNWMYYMLQQWHMJ-SECBINFHSA-N -1 3 228.292 0.165 20 0 BCADHM COC(=O)[C@@H]1CCCCCN1CCC(=O)[O-] ZINC000309681342 597673482 /nfs/dbraw/zinc/67/34/82/597673482.db2.gz NHWRRRSBHCQNFD-VIFPVBQESA-N -1 3 229.276 0.879 20 0 BCADHM O=C([O-])CCCCN1CCNC(=O)CC1 ZINC000062101245 597775718 /nfs/dbraw/zinc/77/57/18/597775718.db2.gz ONUUZIBGSKKMKL-UHFFFAOYSA-N -1 3 214.265 0.063 20 0 BCADHM CCC[C@@H](C(=O)N(C)[C@@H](C)C(=O)[O-])N(C)C ZINC000820304456 598146205 /nfs/dbraw/zinc/14/62/05/598146205.db2.gz TZOASPSSMBRXNQ-IUCAKERBSA-N -1 3 230.308 0.648 20 0 BCADHM Cn1ccc(CNCCCCC(=O)[O-])n1 ZINC000236077630 598166095 /nfs/dbraw/zinc/16/60/95/598166095.db2.gz QZJBIBFBNKCGAL-UHFFFAOYSA-N -1 3 211.265 0.765 20 0 BCADHM CCc1nn(C)cc1CN(C)CCC(=O)[O-] ZINC000167956998 598182075 /nfs/dbraw/zinc/18/20/75/598182075.db2.gz CPEIIMMTPTUISS-UHFFFAOYSA-N -1 3 225.292 0.889 20 0 BCADHM c1cc(N[C@@H]2CCCOC2)ncc1-c1nnn[n-]1 ZINC000738413211 598365903 /nfs/dbraw/zinc/36/59/03/598365903.db2.gz NQZVXVVIDJBZLN-SECBINFHSA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(N[C@@H]2CCCOC2)ncc1-c1nn[n-]n1 ZINC000738413211 598365905 /nfs/dbraw/zinc/36/59/05/598365905.db2.gz NQZVXVVIDJBZLN-SECBINFHSA-N -1 3 246.274 0.853 20 0 BCADHM O[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000738380921 598674094 /nfs/dbraw/zinc/67/40/94/598674094.db2.gz DJYWWQZYSCEQQT-SECBINFHSA-N -1 3 246.274 0.445 20 0 BCADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000738380921 598674095 /nfs/dbraw/zinc/67/40/95/598674095.db2.gz DJYWWQZYSCEQQT-SECBINFHSA-N -1 3 246.274 0.445 20 0 BCADHM OCCNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000095150754 599319308 /nfs/dbraw/zinc/31/93/08/599319308.db2.gz VSQYZWKHNFJEQL-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM OCCNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000095150754 599319311 /nfs/dbraw/zinc/31/93/11/599319311.db2.gz VSQYZWKHNFJEQL-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000095189590 599324792 /nfs/dbraw/zinc/32/47/92/599324792.db2.gz IMGBDAJDLZLKAL-UHFFFAOYSA-N -1 3 221.180 0.212 20 0 BCADHM CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000095189590 599324794 /nfs/dbraw/zinc/32/47/94/599324794.db2.gz IMGBDAJDLZLKAL-UHFFFAOYSA-N -1 3 221.180 0.212 20 0 BCADHM CCN(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000035296909 600130781 /nfs/dbraw/zinc/13/07/81/600130781.db2.gz FKTUSVNTNRAPGE-SECBINFHSA-N -1 3 228.292 0.261 20 0 BCADHM CCN1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000307800977 600162493 /nfs/dbraw/zinc/16/24/93/600162493.db2.gz AWHYVKVMLOLYIN-NXEZZACHSA-N -1 3 240.303 0.261 20 0 BCADHM C=CCNC(=O)CN(CCC(=O)[O-])C(C)C ZINC000037474358 600219918 /nfs/dbraw/zinc/21/99/18/600219918.db2.gz ZGVBPZKENSQWDO-UHFFFAOYSA-N -1 3 228.292 0.474 20 0 BCADHM CN(CCCC(=O)[O-])CC(=O)NC1CC1 ZINC000042691644 600224249 /nfs/dbraw/zinc/22/42/49/600224249.db2.gz HBYHPXNNUOPJIS-UHFFFAOYSA-N -1 3 214.265 0.062 20 0 BCADHM CC[C@H](C(N)=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405440326 600296895 /nfs/dbraw/zinc/29/68/95/600296895.db2.gz IONJZYDWWMMZPE-DTWKUNHWSA-N -1 3 240.303 0.437 20 0 BCADHM C[C@H](C(=O)NC(C)(C)C)N(C)C[C@H](C)C(=O)[O-] ZINC000251100274 600367864 /nfs/dbraw/zinc/36/78/64/600367864.db2.gz MSWMBBUBJRYENC-DTWKUNHWSA-N -1 3 244.335 0.942 20 0 BCADHM O=C([O-])c1occc1CN1CC[C@@H](CO)C1 ZINC000165895133 600622530 /nfs/dbraw/zinc/62/25/30/600622530.db2.gz FBMYRPYXBOJPQG-MRVPVSSYSA-N -1 3 225.244 0.792 20 0 BCADHM O=C([O-])C[C@@H]1CCCCN1CN1CCCC1=O ZINC000739640308 600637055 /nfs/dbraw/zinc/63/70/55/600637055.db2.gz YMYSQOAEPCTYTR-JTQLQIEISA-N -1 3 240.303 0.896 20 0 BCADHM CN(CCCC(=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000381274549 600719184 /nfs/dbraw/zinc/71/91/84/600719184.db2.gz WPBOXZMLGIQUPZ-VIFPVBQESA-N -1 3 249.332 0.218 20 0 BCADHM CCCN(C)CC(=O)NC[C@H](C)C(=O)[O-] ZINC000737008232 600786406 /nfs/dbraw/zinc/78/64/06/600786406.db2.gz XYTYHZXGMDPXAW-QMMMGPOBSA-N -1 3 216.281 0.165 20 0 BCADHM C[C@@H](c1cccnc1)N1CCN(CC(=O)[O-])CC1 ZINC000086731261 600955856 /nfs/dbraw/zinc/95/58/56/600955856.db2.gz ZPPPYRYKZDOWSA-NSHDSACASA-N -1 3 249.314 0.845 20 0 BCADHM Cn1cc(CNC(C)(C)CC(=O)[O-])nn1 ZINC000694014604 601329490 /nfs/dbraw/zinc/32/94/90/601329490.db2.gz MWFUPGNSVLHZSR-UHFFFAOYSA-N -1 3 212.253 0.158 20 0 BCADHM CN(CCC(=O)[O-])[C@@H]1CCCCNC1=O ZINC000308857176 601380070 /nfs/dbraw/zinc/38/00/70/601380070.db2.gz QHCROLJDPMGBJP-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM CCOCCCN1CC[C@](F)(C(=O)[O-])C1 ZINC000830000351 601442284 /nfs/dbraw/zinc/44/22/84/601442284.db2.gz FVNAOTDQVOEGSQ-SNVBAGLBSA-N -1 3 219.256 0.912 20 0 BCADHM CC[C@H](C)NC(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000251853259 601537657 /nfs/dbraw/zinc/53/76/57/601537657.db2.gz NHTVGEQYMNHNPE-GUBZILKMSA-N -1 3 242.319 0.554 20 0 BCADHM CCCNC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000062936307 601926514 /nfs/dbraw/zinc/92/65/14/601926514.db2.gz AQCWXOUVNYFQTH-NSHDSACASA-N -1 3 228.292 0.309 20 0 BCADHM C[C@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738602177 602043381 /nfs/dbraw/zinc/04/33/81/602043381.db2.gz MMHDOXADZYTNAS-BDAKNGLRSA-N -1 3 243.307 0.053 20 0 BCADHM O=C([O-])c1ccc(CN[C@H]2CCCNC2=O)cc1 ZINC000050920969 602162369 /nfs/dbraw/zinc/16/23/69/602162369.db2.gz YADRUOBBKQLMSL-NSHDSACASA-N -1 3 248.282 0.753 20 0 BCADHM CC[C@H](C(N)=O)N1CCC(CNC(=O)[O-])CC1 ZINC000739214972 602311302 /nfs/dbraw/zinc/31/13/02/602311302.db2.gz SRGRFLHLUUMPHS-SECBINFHSA-N -1 3 243.307 0.230 20 0 BCADHM O=C([O-])NC1CCN(CCn2cncn2)CC1 ZINC000740594684 602347687 /nfs/dbraw/zinc/34/76/87/602347687.db2.gz AFCYGVOGXAVUDT-UHFFFAOYSA-N -1 3 239.279 0.010 20 0 BCADHM COC[C@@H](O)CN1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739810111 602691317 /nfs/dbraw/zinc/69/13/17/602691317.db2.gz IXFXORURJHILKY-UWVGGRQHSA-N -1 3 246.307 0.068 20 0 BCADHM Cn1cc(CNC(C)(C)CNC(=O)[O-])cn1 ZINC000740292722 602694190 /nfs/dbraw/zinc/69/41/90/602694190.db2.gz VSBOOIDEDGVFHT-UHFFFAOYSA-N -1 3 226.280 0.556 20 0 BCADHM C[C@@H]1CN(C(=O)[O-])CCN1C[C@H]1CCOC1 ZINC000739161214 602736500 /nfs/dbraw/zinc/73/65/00/602736500.db2.gz OUCXIYLPRKOPDO-NXEZZACHSA-N -1 3 228.292 0.707 20 0 BCADHM Cc1cc(CNC[C@@H]2CCCN2C(=O)[O-])[nH]n1 ZINC000740076580 602881023 /nfs/dbraw/zinc/88/10/23/602881023.db2.gz ZGUPUPFVSDYBFG-JTQLQIEISA-N -1 3 238.291 0.950 20 0 BCADHM O=C([O-])NCCN[C@@H](CO)c1ccc(F)cc1 ZINC000740658701 602929944 /nfs/dbraw/zinc/92/99/44/602929944.db2.gz KGZJDOHYRMPNBI-JTQLQIEISA-N -1 3 242.250 0.716 20 0 BCADHM CN(CCNC(=O)[O-])C[C@@H]1CCCO1 ZINC000739697183 603083485 /nfs/dbraw/zinc/08/34/85/603083485.db2.gz IMQQTSFIFXBFJU-QMMMGPOBSA-N -1 3 202.254 0.365 20 0 BCADHM CCN(CC(=O)N[C@H]1CCCN(C)C1)C(=O)[O-] ZINC000739393368 603431807 /nfs/dbraw/zinc/43/18/07/603431807.db2.gz OXJBZKQHQVPURZ-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CN(C)C1(C(=O)NCCN(C)C(=O)[O-])CCC1 ZINC000828321761 604278174 /nfs/dbraw/zinc/27/81/74/604278174.db2.gz XEHWSYRZBZWHSX-UHFFFAOYSA-N -1 3 243.307 0.197 20 0 BCADHM CNC(=O)C[C@@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000322584807 604329831 /nfs/dbraw/zinc/32/98/31/604329831.db2.gz DVSGATKSSFITRO-SSDOTTSWSA-N -1 3 240.259 0.592 20 0 BCADHM O=C([O-])CCC1CCN([C@H]2CCNC2=O)CC1 ZINC000691605700 604422506 /nfs/dbraw/zinc/42/25/06/604422506.db2.gz HSJWPEZLUQTINI-JTQLQIEISA-N -1 3 240.303 0.452 20 0 BCADHM O=C([O-])CC1CCN([C@H]2CCCNC2=O)CC1 ZINC000691550728 604459036 /nfs/dbraw/zinc/45/90/36/604459036.db2.gz RSDMRHSBLOTPIK-JTQLQIEISA-N -1 3 240.303 0.452 20 0 BCADHM CCCN(CCN(C)C)C(=O)[C@H](C)NC(=O)[O-] ZINC000739357752 604968614 /nfs/dbraw/zinc/96/86/14/604968614.db2.gz VJCAQMNBUFSJQM-VIFPVBQESA-N -1 3 245.323 0.443 20 0 BCADHM COCCN[C@H](C(=O)[O-])c1cccnc1 ZINC000053260140 604984209 /nfs/dbraw/zinc/98/42/09/604984209.db2.gz ALWSEFCOLFYHEX-VIFPVBQESA-N -1 3 210.233 0.443 20 0 BCADHM CCC[C@@H](C(=O)NC1CN(C(=O)[O-])C1)N(C)C ZINC000833648843 605056994 /nfs/dbraw/zinc/05/69/94/605056994.db2.gz YFCMYTHUTZKNNS-VIFPVBQESA-N -1 3 243.307 0.195 20 0 BCADHM CN(C)C(=O)CCNCc1ccc(C(=O)[O-])o1 ZINC000071396021 605087960 /nfs/dbraw/zinc/08/79/60/605087960.db2.gz QTHQBNUDEINZFP-UHFFFAOYSA-N -1 3 240.259 0.546 20 0 BCADHM C[C@@H]1C[C@H](CN2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC000257637779 605477330 /nfs/dbraw/zinc/47/73/30/605477330.db2.gz AEQHMBANZMPPCY-MXWKQRLJSA-N -1 3 243.303 0.587 20 0 BCADHM C[C@@H]1C[C@H](CN2CCO[C@@H](C(=O)[O-])C2)CCO1 ZINC000257637778 605477755 /nfs/dbraw/zinc/47/77/55/605477755.db2.gz AEQHMBANZMPPCY-GMTAPVOTSA-N -1 3 243.303 0.587 20 0 BCADHM Cn1ccc(CNC2CCN(C(=O)[O-])CC2)n1 ZINC000738410662 605635890 /nfs/dbraw/zinc/63/58/90/605635890.db2.gz IXWOKMKSYORNPB-UHFFFAOYSA-N -1 3 238.291 0.652 20 0 BCADHM CS(=O)(=O)CCN1CCCCC[C@H]1C(=O)[O-] ZINC000080991851 605852693 /nfs/dbraw/zinc/85/26/93/605852693.db2.gz FIEKRRDZNOUDNA-VIFPVBQESA-N -1 3 249.332 0.360 20 0 BCADHM CCN(CC)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000095172282 606206656 /nfs/dbraw/zinc/20/66/56/606206656.db2.gz URMNEMOXNWINIH-UHFFFAOYSA-N -1 3 248.290 0.687 20 0 BCADHM CCN(CC)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000095172282 606206658 /nfs/dbraw/zinc/20/66/58/606206658.db2.gz URMNEMOXNWINIH-UHFFFAOYSA-N -1 3 248.290 0.687 20 0 BCADHM CC(C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820138570 606244703 /nfs/dbraw/zinc/24/47/03/606244703.db2.gz XXQRZRCXNVQMEG-UHFFFAOYSA-N -1 3 220.236 0.333 20 0 BCADHM CC(C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820138570 606244704 /nfs/dbraw/zinc/24/47/04/606244704.db2.gz XXQRZRCXNVQMEG-UHFFFAOYSA-N -1 3 220.236 0.333 20 0 BCADHM COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000095190316 606462109 /nfs/dbraw/zinc/46/21/09/606462109.db2.gz QBKJIUMUEMUXDT-UHFFFAOYSA-N -1 3 210.218 0.715 20 0 BCADHM COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000095190316 606462110 /nfs/dbraw/zinc/46/21/10/606462110.db2.gz QBKJIUMUEMUXDT-UHFFFAOYSA-N -1 3 210.218 0.715 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)cc1NCCO ZINC000095341976 606638095 /nfs/dbraw/zinc/63/80/95/606638095.db2.gz TXDIWFAZAFUWMU-UHFFFAOYSA-N -1 3 219.248 0.579 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)cc1NCCO ZINC000095341976 606638096 /nfs/dbraw/zinc/63/80/96/606638096.db2.gz TXDIWFAZAFUWMU-UHFFFAOYSA-N -1 3 219.248 0.579 20 0 BCADHM C[C@@H](O)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC000095225400 607127152 /nfs/dbraw/zinc/12/71/52/607127152.db2.gz WXVMXQVHBVTZSE-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](O)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC000095225400 607127154 /nfs/dbraw/zinc/12/71/54/607127154.db2.gz WXVMXQVHBVTZSE-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](CO)N(C)c1ncccc1-c1nnn[n-]1 ZINC000824442465 607837972 /nfs/dbraw/zinc/83/79/72/607837972.db2.gz WEFFDEIFBSYRIJ-SSDOTTSWSA-N -1 3 234.263 0.079 20 0 BCADHM C[C@H](CO)N(C)c1ncccc1-c1nn[n-]n1 ZINC000824442465 607837973 /nfs/dbraw/zinc/83/79/73/607837973.db2.gz WEFFDEIFBSYRIJ-SSDOTTSWSA-N -1 3 234.263 0.079 20 0 BCADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)N1CCCC1 ZINC000826424419 607892709 /nfs/dbraw/zinc/89/27/09/607892709.db2.gz LOETYPFSXPAPQX-UHFFFAOYSA-N -1 3 246.274 0.291 20 0 BCADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)N1CCCC1 ZINC000826424419 607892710 /nfs/dbraw/zinc/89/27/10/607892710.db2.gz LOETYPFSXPAPQX-UHFFFAOYSA-N -1 3 246.274 0.291 20 0 BCADHM O=C(NC1CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826428690 609189824 /nfs/dbraw/zinc/18/98/24/609189824.db2.gz IUEQFMVWKCFOMS-UHFFFAOYSA-N -1 3 218.220 0.087 20 0 BCADHM O=C(NC1CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826428690 609189825 /nfs/dbraw/zinc/18/98/25/609189825.db2.gz IUEQFMVWKCFOMS-UHFFFAOYSA-N -1 3 218.220 0.087 20 0 BCADHM CC[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000095258541 609381751 /nfs/dbraw/zinc/38/17/51/609381751.db2.gz DOXZCTKDXAVJMU-VIFPVBQESA-N -1 3 247.258 0.509 20 0 BCADHM CCOC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000095174603 609631094 /nfs/dbraw/zinc/63/10/94/609631094.db2.gz LSULABIQOAIPQR-VIFPVBQESA-N -1 3 248.242 0.463 20 0 BCADHM CCOC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000095174603 609631096 /nfs/dbraw/zinc/63/10/96/609631096.db2.gz LSULABIQOAIPQR-VIFPVBQESA-N -1 3 248.242 0.463 20 0 BCADHM COCc1nc(NCCF)cc(=O)[n-]1 ZINC000893659602 635428113 /nfs/dbraw/zinc/42/81/13/635428113.db2.gz DFIXPBTVEDDKHS-UHFFFAOYSA-N -1 3 201.201 0.710 20 0 BCADHM CC(C)CNC(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC000062134274 635460808 /nfs/dbraw/zinc/46/08/08/635460808.db2.gz HNWMYYMLQQWHMJ-VIFPVBQESA-N -1 3 228.292 0.165 20 0 BCADHM CSCCO[N-]C(=O)C1=COCC1 ZINC000308296270 631271463 /nfs/dbraw/zinc/27/14/63/631271463.db2.gz IHZRFJCEKXNYNX-UHFFFAOYSA-N -1 3 203.263 0.701 20 0 BCADHM COC(=O)NCCNc1cc(=O)[n-]c(C)n1 ZINC000308322763 631291508 /nfs/dbraw/zinc/29/15/08/631291508.db2.gz CNLXJOLJRQFXRP-UHFFFAOYSA-N -1 3 226.236 0.259 20 0 BCADHM CO[N-]C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000047064324 635652375 /nfs/dbraw/zinc/65/23/75/635652375.db2.gz AWHIZCWSWLYWTB-UHFFFAOYSA-N -1 3 232.239 0.748 20 0 BCADHM C[C@H]1CN(CCNc2cc(=O)[n-]cn2)CCO1 ZINC000892246488 631812579 /nfs/dbraw/zinc/81/25/79/631812579.db2.gz LXXFGEVPXSKIGJ-VIFPVBQESA-N -1 3 238.291 0.315 20 0 BCADHM CO[N-]C(=O)CCc1c(C)nn(C)c1C ZINC000048425600 631860569 /nfs/dbraw/zinc/86/05/69/631860569.db2.gz USFFIIDNOYNCMJ-UHFFFAOYSA-N -1 3 211.265 0.647 20 0 BCADHM CN(C(=O)C(C)(C)C(=O)[O-])[C@@H]1CCCN(C)C1 ZINC000215093828 635804504 /nfs/dbraw/zinc/80/45/04/635804504.db2.gz MQOPOGWUVITTAF-SECBINFHSA-N -1 3 242.319 0.650 20 0 BCADHM CCOc1nnc(NC(=O)CSC)[n-]1 ZINC000162062340 632505737 /nfs/dbraw/zinc/50/57/37/632505737.db2.gz GTPBLNCOKAKFLJ-UHFFFAOYSA-N -1 3 216.266 0.505 20 0 BCADHM CCOc1nc(NC(=O)CSC)n[n-]1 ZINC000162062340 632505745 /nfs/dbraw/zinc/50/57/45/632505745.db2.gz GTPBLNCOKAKFLJ-UHFFFAOYSA-N -1 3 216.266 0.505 20 0 BCADHM CCOc1n[n-]c(NC(=O)CSC)n1 ZINC000162062340 632505754 /nfs/dbraw/zinc/50/57/54/632505754.db2.gz GTPBLNCOKAKFLJ-UHFFFAOYSA-N -1 3 216.266 0.505 20 0 BCADHM CCOc1nnc(NC(=O)c2cscn2)[n-]1 ZINC000162069688 632506975 /nfs/dbraw/zinc/50/69/75/632506975.db2.gz SZTJJGJTVKTMHV-UHFFFAOYSA-N -1 3 239.260 0.912 20 0 BCADHM CCOc1nc(NC(=O)c2cscn2)n[n-]1 ZINC000162069688 632506983 /nfs/dbraw/zinc/50/69/83/632506983.db2.gz SZTJJGJTVKTMHV-UHFFFAOYSA-N -1 3 239.260 0.912 20 0 BCADHM CCOc1n[n-]c(NC(=O)c2cscn2)n1 ZINC000162069688 632506995 /nfs/dbraw/zinc/50/69/95/632506995.db2.gz SZTJJGJTVKTMHV-UHFFFAOYSA-N -1 3 239.260 0.912 20 0 BCADHM N[C@H](CC1CC1)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000310517237 632751248 /nfs/dbraw/zinc/75/12/48/632751248.db2.gz RZFWORNFCXJHPX-SNVBAGLBSA-N -1 3 240.303 0.437 20 0 BCADHM CC(C)CO[N-]C(=O)CCCCNC(N)=O ZINC000153616941 632821315 /nfs/dbraw/zinc/82/13/15/632821315.db2.gz NPOBNDYAADXGOK-UHFFFAOYSA-N -1 3 231.296 0.529 20 0 BCADHM CCCN(CC(N)=O)c1cc(=O)[n-]c(C)n1 ZINC000309258838 632849290 /nfs/dbraw/zinc/84/92/90/632849290.db2.gz AYGSIQHNWDPZNL-UHFFFAOYSA-N -1 3 224.264 0.192 20 0 BCADHM Cc1nc(N2CC[C@](C)(C(N)=O)C2)cc(=O)[n-]1 ZINC000235932566 632853408 /nfs/dbraw/zinc/85/34/08/632853408.db2.gz UVGDWUIIDDJACS-NSHDSACASA-N -1 3 236.275 0.192 20 0 BCADHM Cc1nc(N[C@H]2CC(=O)N(C)C2)cc(=O)[n-]1 ZINC000309413611 633033331 /nfs/dbraw/zinc/03/33/31/633033331.db2.gz KMPHDVSSYFQGKJ-ZETCQYMHSA-N -1 3 222.248 0.133 20 0 BCADHM O=c1cc(N2CCC[C@@H](CCO)C2)nc[n-]1 ZINC000166171111 633108504 /nfs/dbraw/zinc/10/85/04/633108504.db2.gz AWHHJQSCZNOIME-VIFPVBQESA-N -1 3 223.276 0.369 20 0 BCADHM C[C@@]12COC[C@H]1CN(c1cc(=O)[n-]cn1)C2 ZINC000894563800 635910372 /nfs/dbraw/zinc/91/03/72/635910372.db2.gz LPSSZDPZCXOIQO-LDYMZIIASA-N -1 3 221.260 0.655 20 0 BCADHM CC[C@H](C(=O)N[C@@H](CC1CC1)C(=O)[O-])N(C)C ZINC000909472936 636087421 /nfs/dbraw/zinc/08/74/21/636087421.db2.gz WCSXRECXHOWPGD-VHSXEESVSA-N -1 3 242.319 0.696 20 0 BCADHM CC[C@@H](C(=O)[N-]OCc1ccccn1)N(C)C ZINC000909517606 636137208 /nfs/dbraw/zinc/13/72/08/636137208.db2.gz JWXNPKIXIFWWJJ-NSHDSACASA-N -1 3 237.303 0.970 20 0 BCADHM COCCCOCCN(C)c1cc(=O)[n-]cn1 ZINC000893097898 633830811 /nfs/dbraw/zinc/83/08/11/633830811.db2.gz ZQHGBKFEFJEAAP-UHFFFAOYSA-N -1 3 241.291 0.672 20 0 BCADHM CC(C)(CNc1cc(=O)[n-]cn1)OCCO ZINC000309204672 633865163 /nfs/dbraw/zinc/86/51/63/633865163.db2.gz PFAKIIIXMORRAX-UHFFFAOYSA-N -1 3 227.264 0.382 20 0 BCADHM CCOCCO[N-]C(=O)C[C@@H]1CCCOC1 ZINC000193868024 634295473 /nfs/dbraw/zinc/29/54/73/634295473.db2.gz BFSYOGRHDANHPS-JTQLQIEISA-N -1 3 231.292 0.887 20 0 BCADHM O=C(C[C@@H]1CCCOC1)[N-]OC[C@H]1CCOC1 ZINC000194319669 634313048 /nfs/dbraw/zinc/31/30/48/634313048.db2.gz RNAVAXJINUJDQQ-QWRGUYRKSA-N -1 3 243.303 0.887 20 0 BCADHM Cc1nc(NCCNC(=O)N(C)C)cc(=O)[n-]1 ZINC000162765085 634349210 /nfs/dbraw/zinc/34/92/10/634349210.db2.gz BGVKRTWODBFYRD-UHFFFAOYSA-N -1 3 239.279 0.174 20 0 BCADHM O=C([N-]CCn1cccn1)C(F)(F)C(F)F ZINC000226615886 635438079 /nfs/dbraw/zinc/43/80/79/635438079.db2.gz HMVVMGOVGJQWSO-UHFFFAOYSA-N -1 3 239.172 0.900 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H](O)c1ccccn1 ZINC000798302808 636523914 /nfs/dbraw/zinc/52/39/14/636523914.db2.gz KYAORFNJRDQPGX-JTQLQIEISA-N -1 3 245.238 0.854 20 0 BCADHM CCc1cccc(C(=O)N2CCOCN2)c1[O-] ZINC000928952906 636636868 /nfs/dbraw/zinc/63/68/68/636636868.db2.gz QDMSCLWVMMLLDW-UHFFFAOYSA-N -1 3 236.271 0.889 20 0 BCADHM Cc1nc(N[C@@H]2CCC[C@H]2O)cc(=O)[n-]1 ZINC000323097591 636899102 /nfs/dbraw/zinc/89/91/02/636899102.db2.gz BEYKCWUQOHROPL-HTQZYQBOSA-N -1 3 209.249 0.816 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CC=CCl)n1 ZINC000905250801 637710501 /nfs/dbraw/zinc/71/05/01/637710501.db2.gz VFVWTPJBJKFKBK-ARJAWSKDSA-N -1 3 235.696 0.893 20 0 BCADHM CCc1nnc(S(=O)(=O)CC=CCl)[n-]1 ZINC000905250801 637710506 /nfs/dbraw/zinc/71/05/06/637710506.db2.gz VFVWTPJBJKFKBK-ARJAWSKDSA-N -1 3 235.696 0.893 20 0 BCADHM CO[N-]C(=O)Cc1c(C)cc(C)[nH]c1=O ZINC000905864119 637950338 /nfs/dbraw/zinc/95/03/38/637950338.db2.gz KNXXPPVMEZMBBD-UHFFFAOYSA-N -1 3 210.233 0.624 20 0 BCADHM C[C@H](C(=O)Nc1ccncc1[O-])[C@H]1CCCO1 ZINC000907158866 638313975 /nfs/dbraw/zinc/31/39/75/638313975.db2.gz ZHQZFFJCFLVERG-GZMMTYOYSA-N -1 3 236.271 0.963 20 0 BCADHM NC(=O)CCC(=O)[N-]OC1CCCC1 ZINC000907222115 638325892 /nfs/dbraw/zinc/32/58/92/638325892.db2.gz VZXAZUNFSOAONC-UHFFFAOYSA-N -1 3 200.238 0.242 20 0 BCADHM CN1C(=O)CCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000907315126 638352485 /nfs/dbraw/zinc/35/24/85/638352485.db2.gz YRPJUEOWXHRMTF-MRVPVSSYSA-N -1 3 249.270 0.737 20 0 BCADHM CCN(C)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000907373802 638364571 /nfs/dbraw/zinc/36/45/71/638364571.db2.gz WDKPSUTYGZDATM-UHFFFAOYSA-N -1 3 236.275 0.878 20 0 BCADHM O=C(CC1(O)CCOCC1)[N-]OCC(F)F ZINC000907380793 638376127 /nfs/dbraw/zinc/37/61/27/638376127.db2.gz DYOMODZVLXCHJZ-UHFFFAOYSA-N -1 3 239.218 0.231 20 0 BCADHM Cc1ncoc1C[N-]S(=O)(=O)CC1(F)CC1 ZINC000907596605 638417318 /nfs/dbraw/zinc/41/73/18/638417318.db2.gz FETUIVWBMDWTPQ-UHFFFAOYSA-N -1 3 248.279 0.905 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)CCF)[n-]1 ZINC000907714594 638454881 /nfs/dbraw/zinc/45/48/81/638454881.db2.gz JTNBAGGLJQQGIB-UHFFFAOYSA-N -1 3 229.211 0.885 20 0 BCADHM CCOC(=O)c1nc(NC(=O)CCF)c[n-]1 ZINC000907714594 638454884 /nfs/dbraw/zinc/45/48/84/638454884.db2.gz JTNBAGGLJQQGIB-UHFFFAOYSA-N -1 3 229.211 0.885 20 0 BCADHM NC(=O)CCC(=O)[N-]OC/C=C\Cl ZINC000908314930 638636394 /nfs/dbraw/zinc/63/63/94/638636394.db2.gz XEXCNIWCHOSUQI-RJRFIUFISA-N -1 3 206.629 0.052 20 0 BCADHM O=S(=O)([N-]CC[C@@H](O)C1CC1)c1ccco1 ZINC000908303269 638650025 /nfs/dbraw/zinc/65/00/25/638650025.db2.gz MTBWFHMYCXYLKS-SECBINFHSA-N -1 3 245.300 0.719 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)CCC(N)=O ZINC000908353185 638664241 /nfs/dbraw/zinc/66/42/41/638664241.db2.gz SPMCUQNVAKYDAG-ZETCQYMHSA-N -1 3 202.254 0.346 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C/C=C\Cl)c1 ZINC000908451739 638741427 /nfs/dbraw/zinc/74/14/27/638741427.db2.gz DQFYXMLZEIKZDD-IHWYPQMZSA-N -1 3 235.696 0.451 20 0 BCADHM CC(C)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)[O-] ZINC000908845656 639080378 /nfs/dbraw/zinc/08/03/78/639080378.db2.gz UNUNAQGABNADPZ-VIFPVBQESA-N -1 3 242.319 0.839 20 0 BCADHM Cc1nnc(CCOC(=O)c2cncc([O-])c2)o1 ZINC000909005226 639111269 /nfs/dbraw/zinc/11/12/69/639111269.db2.gz AZQHVSNHJMUGAU-UHFFFAOYSA-N -1 3 249.226 0.878 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)C(=O)CN(C)C1CCC1 ZINC000908989478 639116839 /nfs/dbraw/zinc/11/68/39/639116839.db2.gz ZSQFNHQWWXMXIO-QMMMGPOBSA-N -1 3 228.292 0.402 20 0 BCADHM CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000909130889 639153897 /nfs/dbraw/zinc/15/38/97/639153897.db2.gz FSILVDATBBLHIF-RKDXNWHRSA-N -1 3 228.292 0.449 20 0 BCADHM COC/C(C)=C\COC(=O)c1cnn[n-]1 ZINC000909311966 639205022 /nfs/dbraw/zinc/20/50/22/639205022.db2.gz NVNCDMGWRKDHPU-CLTKARDFSA-N -1 3 211.221 0.554 20 0 BCADHM COC/C(C)=C\COC(=O)c1c[n-]nn1 ZINC000909311966 639205031 /nfs/dbraw/zinc/20/50/31/639205031.db2.gz NVNCDMGWRKDHPU-CLTKARDFSA-N -1 3 211.221 0.554 20 0 BCADHM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1c[nH]cn1 ZINC000909801007 639221758 /nfs/dbraw/zinc/22/17/58/639221758.db2.gz WBTUZCDNKUIQCO-IONNQARKSA-N -1 3 237.259 0.274 20 0 BCADHM C[C@@H]1[C@H](C(=O)[O-])CCN1c1ccncc1CO ZINC000910317996 639411487 /nfs/dbraw/zinc/41/14/87/639411487.db2.gz ZAWNFPFWHMBJQU-PSASIEDQSA-N -1 3 236.271 0.873 20 0 BCADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ccnc(CO)c1 ZINC000910316668 639412189 /nfs/dbraw/zinc/41/21/89/639412189.db2.gz UPGZUYWYRXFFOA-KCJUWKMLSA-N -1 3 236.271 0.873 20 0 BCADHM O=C([O-])[C@]1(F)CCN(c2ccncc2CO)C1 ZINC000910450791 639453802 /nfs/dbraw/zinc/45/38/02/639453802.db2.gz DIQDRLPOFIGBMQ-NSHDSACASA-N -1 3 240.234 0.577 20 0 BCADHM Cn1ncc(COc2ccc3c([O-])coc3c2)n1 ZINC000311099647 639485367 /nfs/dbraw/zinc/48/53/67/639485367.db2.gz JWDYNJDYVMPIDG-UHFFFAOYSA-N -1 3 245.238 0.969 20 0 BCADHM CC[C@H](C(=O)NCC(C)(C)CC(=O)[O-])N(C)C ZINC000910827472 639512519 /nfs/dbraw/zinc/51/25/19/639512519.db2.gz OPUPZEJRHIQEDE-SECBINFHSA-N -1 3 244.335 0.944 20 0 BCADHM CCCN(CCN(C)C)C(=O)[C@@H](CC)C(=O)[O-] ZINC000911427405 639645542 /nfs/dbraw/zinc/64/55/42/639645542.db2.gz NWFWOPYYVOLJOW-SNVBAGLBSA-N -1 3 244.335 0.897 20 0 BCADHM CC(C)(O)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911851239 639858818 /nfs/dbraw/zinc/85/88/18/639858818.db2.gz BTMWLJRWUDKDLQ-ZETCQYMHSA-N -1 3 239.275 0.202 20 0 BCADHM C/C=C(/C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471746 640086381 /nfs/dbraw/zinc/08/63/81/640086381.db2.gz WNSLBGWBKUXHPM-PTDYZRSTSA-N -1 3 223.276 0.581 20 0 BCADHM CCC/C=C\C(=O)NCCCc1c[n-][nH]c1=O ZINC000912470664 640086585 /nfs/dbraw/zinc/08/65/85/640086585.db2.gz UXGUKWPRYIIMAB-VAWSOJLPSA-N -1 3 237.303 0.971 20 0 BCADHM C/C(Cl)=C\C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471986 640090127 /nfs/dbraw/zinc/09/01/27/640090127.db2.gz ZXEKNQOTYTWAHN-IVGLGHLBSA-N -1 3 243.694 0.757 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CCOC1CC1)C2 ZINC000931310891 640148387 /nfs/dbraw/zinc/14/83/87/640148387.db2.gz BGFKOUYBCCSHTM-UHFFFAOYSA-N -1 3 235.287 0.985 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN([C@@H]1CCCNC1=O)C2 ZINC000931315812 640150107 /nfs/dbraw/zinc/15/01/07/640150107.db2.gz ZALZOGBSLPXWHT-SNVBAGLBSA-N -1 3 248.286 0.085 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN([C@@H]1CCOC1=O)C2 ZINC000931319561 640154122 /nfs/dbraw/zinc/15/41/22/640154122.db2.gz WYIDZJKTTZWFSV-SECBINFHSA-N -1 3 235.243 0.122 20 0 BCADHM Cc1nc(CN2Cc3nc(C)[n-]c(=O)c3C2)no1 ZINC000931321292 640156024 /nfs/dbraw/zinc/15/60/24/640156024.db2.gz OCEHQSYVAWAOJA-UHFFFAOYSA-N -1 3 247.258 0.698 20 0 BCADHM Cc1ccc(C(=O)Nc2nnn(C)n2)c([O-])c1C ZINC000912835540 640223705 /nfs/dbraw/zinc/22/37/05/640223705.db2.gz TVRVJTIFVLVGCA-UHFFFAOYSA-N -1 3 247.258 0.785 20 0 BCADHM O=C(OCCO)c1cc(-c2ccco2)[n-]n1 ZINC000913298941 640346161 /nfs/dbraw/zinc/34/61/61/640346161.db2.gz UOPVAILTNHQVRO-UHFFFAOYSA-N -1 3 222.200 0.819 20 0 BCADHM O=C(OCCO)c1cc(-c2ccco2)n[n-]1 ZINC000913298941 640346167 /nfs/dbraw/zinc/34/61/67/640346167.db2.gz UOPVAILTNHQVRO-UHFFFAOYSA-N -1 3 222.200 0.819 20 0 BCADHM Cc1conc1C(=O)[N-]c1nnn(C(C)C)n1 ZINC000913482479 640374088 /nfs/dbraw/zinc/37/40/88/640374088.db2.gz BQUXWSPTUHUEFS-UHFFFAOYSA-N -1 3 236.235 0.803 20 0 BCADHM CC(C)n1nnc([N-]C(=O)c2cocn2)n1 ZINC000913487940 640377808 /nfs/dbraw/zinc/37/78/08/640377808.db2.gz GIZJHAUPLYLLFZ-UHFFFAOYSA-N -1 3 222.208 0.494 20 0 BCADHM COCCO[N-]C(=O)CC[C@@H](C)OC ZINC000164098403 640444448 /nfs/dbraw/zinc/44/44/48/640444448.db2.gz QLKUHYVJDNBDQE-MRVPVSSYSA-N -1 3 205.254 0.496 20 0 BCADHM O=c1cc(NC[C@@H]2CCCC[C@H]2O)nc[n-]1 ZINC000165281816 640552971 /nfs/dbraw/zinc/55/29/71/640552971.db2.gz JPYDRTDJBCQHOF-DTWKUNHWSA-N -1 3 223.276 0.733 20 0 BCADHM CO[C@@H]1CCC[C@H]1Nc1cc(=O)[n-]cn1 ZINC000165243270 640553453 /nfs/dbraw/zinc/55/34/53/640553453.db2.gz NBMLQYZCWSQSKO-HTQZYQBOSA-N -1 3 209.249 0.749 20 0 BCADHM O=c1cc(NCC2(O)CCCCC2)nc[n-]1 ZINC000165278923 640554809 /nfs/dbraw/zinc/55/48/09/640554809.db2.gz WHZLMQGKNGVERS-UHFFFAOYSA-N -1 3 223.276 0.877 20 0 BCADHM Cc1nc(NCCC[S@](C)=O)cc(=O)[n-]1 ZINC000165338508 640561254 /nfs/dbraw/zinc/56/12/54/640561254.db2.gz IFDCBPPYOBKHHM-OAHLLOKOSA-N -1 3 229.305 0.671 20 0 BCADHM Cc1nc(NCC[S@](C)=O)cc(=O)[n-]1 ZINC000165349303 640561516 /nfs/dbraw/zinc/56/15/16/640561516.db2.gz FBUIPMNRMITJQA-CQSZACIVSA-N -1 3 215.278 0.281 20 0 BCADHM Cc1nc(N[C@H](C)C[S@@](C)=O)cc(=O)[n-]1 ZINC000165330193 640562018 /nfs/dbraw/zinc/56/20/18/640562018.db2.gz UIKBCFVJRLXQAP-BAHMLBHCSA-N -1 3 229.305 0.670 20 0 BCADHM CC(C)NC(=O)[C@H](C)Nc1cc(=O)[n-]cn1 ZINC000165324993 640562611 /nfs/dbraw/zinc/56/26/11/640562611.db2.gz ICAVTJDNYBJIOL-ZETCQYMHSA-N -1 3 224.264 0.095 20 0 BCADHM C[C@@H](CC[S@](C)=O)Nc1cc(=O)[n-]cn1 ZINC000165363049 640563952 /nfs/dbraw/zinc/56/39/52/640563952.db2.gz MUKIAQHFKFTDKW-NZFNHWASSA-N -1 3 229.305 0.339 20 0 BCADHM CN(C[C@H]1CCCO1)c1cc(=O)[n-]cn1 ZINC000165398689 640568819 /nfs/dbraw/zinc/56/88/19/640568819.db2.gz DSMJGSIITZRGOJ-MRVPVSSYSA-N -1 3 209.249 0.385 20 0 BCADHM CCN(C[C@@H]1CCCO1)c1cc(=O)[n-]cn1 ZINC000165395425 640570693 /nfs/dbraw/zinc/57/06/93/640570693.db2.gz QERQGDQZARKFEX-VIFPVBQESA-N -1 3 223.276 0.775 20 0 BCADHM Cc1nc(N2CC[C@H](CO)C2)cc(=O)[n-]1 ZINC000165433981 640580230 /nfs/dbraw/zinc/58/02/30/640580230.db2.gz IZQYBBDPDQGPQN-QMMMGPOBSA-N -1 3 209.249 0.309 20 0 BCADHM Cc1c(CNc2cc(=O)[n-]cn2)cnn1C ZINC000226426790 640764498 /nfs/dbraw/zinc/76/44/98/640764498.db2.gz USJAFJGEMHKEJQ-UHFFFAOYSA-N -1 3 219.248 0.424 20 0 BCADHM Cc1nc(NCCc2ccn(C)n2)cc(=O)[n-]1 ZINC000227240931 640821838 /nfs/dbraw/zinc/82/18/38/640821838.db2.gz QPVWNQVRASMMTF-UHFFFAOYSA-N -1 3 233.275 0.879 20 0 BCADHM CC[C@H](CO)NC(=O)c1c([O-])cccc1OC ZINC000170248450 640894086 /nfs/dbraw/zinc/89/40/86/640894086.db2.gz QMAANXCDDWAQPX-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM C[C@]1(O)CCCN(c2cc(=O)[n-]cn2)CC1 ZINC000230373399 641051568 /nfs/dbraw/zinc/05/15/68/641051568.db2.gz BVZJPKBTMCAVIP-NSHDSACASA-N -1 3 223.276 0.511 20 0 BCADHM COCCO[N-]C(=O)Cc1ccc(OC)cc1 ZINC000062577883 641061701 /nfs/dbraw/zinc/06/17/01/641061701.db2.gz WBWVBOLVWGRCFH-UHFFFAOYSA-N -1 3 239.271 0.932 20 0 BCADHM Cc1nc(NCCCOCCO)cc(=O)[n-]1 ZINC000230772432 641094430 /nfs/dbraw/zinc/09/44/30/641094430.db2.gz LOTAPIYHYSEEHA-UHFFFAOYSA-N -1 3 227.264 0.302 20 0 BCADHM CC1([N-]C(=O)C(F)F)CN(C(=O)C(F)F)C1 ZINC000913834530 641494704 /nfs/dbraw/zinc/49/47/04/641494704.db2.gz HMINXWSDQYQKEN-UHFFFAOYSA-N -1 3 242.172 0.234 20 0 BCADHM CO[N-]C(=O)Cc1c[nH]c2ncccc12 ZINC000155466388 641569505 /nfs/dbraw/zinc/56/95/05/641569505.db2.gz OTENCKGEYOIOIX-UHFFFAOYSA-N -1 3 205.217 0.783 20 0 BCADHM O=S(=O)(CC1(F)CCC1)[N-]Cc1ccon1 ZINC000914219045 641618198 /nfs/dbraw/zinc/61/81/98/641618198.db2.gz LTCQHRGINJHSRW-UHFFFAOYSA-N -1 3 248.279 0.986 20 0 BCADHM O=C(CC1(O)CCCC1)[N-]OC[C@@H]1CCOC1 ZINC000188309087 641752658 /nfs/dbraw/zinc/75/26/58/641752658.db2.gz YZFMNLZUXACORA-SNVBAGLBSA-N -1 3 243.303 0.766 20 0 BCADHM COCCC1(C(=O)[N-]OC[C@@H]2CCOC2)CC1 ZINC000189237884 641795478 /nfs/dbraw/zinc/79/54/78/641795478.db2.gz QIVWNXSWBCINJB-SNVBAGLBSA-N -1 3 243.303 0.887 20 0 BCADHM CC[C@@](C)(CN1CCOC[C@H]1CC(=O)[O-])OC ZINC000319811547 641881801 /nfs/dbraw/zinc/88/18/01/641881801.db2.gz HLNISVIIADFHRE-PWSUYJOCSA-N -1 3 245.319 0.977 20 0 BCADHM CC(=O)OCCn1cc(Cl)c(=O)[n-]c1=O ZINC000917137020 642019415 /nfs/dbraw/zinc/01/94/15/642019415.db2.gz IUTIIEKCFNYWQA-UHFFFAOYSA-N -1 3 232.623 0.165 20 0 BCADHM COc1ncc(S(=O)(=O)[N-][C@H]2C[C@H]2C)s1 ZINC000918577575 642230079 /nfs/dbraw/zinc/23/00/79/642230079.db2.gz MREGVXIDQISMTG-RITPCOANSA-N -1 3 248.329 0.838 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCCN(C(=O)CC)C1 ZINC000067839792 642359879 /nfs/dbraw/zinc/35/98/79/642359879.db2.gz POEFJNYDNONWIZ-SECBINFHSA-N -1 3 228.292 0.703 20 0 BCADHM CN(c1cc(=O)[n-]cn1)[C@@H]1CCCC[C@H]1O ZINC000253625926 642672072 /nfs/dbraw/zinc/67/20/72/642672072.db2.gz NFZXHOCFHBXPLF-RKDXNWHRSA-N -1 3 223.276 0.922 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC000070273614 643009946 /nfs/dbraw/zinc/00/99/46/643009946.db2.gz UWKFRTAYRCPFID-SECBINFHSA-N -1 3 214.265 0.313 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCCN(C(C)=O)C1 ZINC000070273615 643011103 /nfs/dbraw/zinc/01/11/03/643011103.db2.gz UWKFRTAYRCPFID-VIFPVBQESA-N -1 3 214.265 0.313 20 0 BCADHM COc1nnc(NC(=O)C[C@H](C)OC)[n-]1 ZINC000182992100 643076809 /nfs/dbraw/zinc/07/68/09/643076809.db2.gz ZIAFPDIJWGOACM-YFKPBYRVSA-N -1 3 214.225 0.177 20 0 BCADHM COc1nc(NC(=O)C[C@H](C)OC)n[n-]1 ZINC000182992100 643076815 /nfs/dbraw/zinc/07/68/15/643076815.db2.gz ZIAFPDIJWGOACM-YFKPBYRVSA-N -1 3 214.225 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@H](C)OC)n1 ZINC000182992100 643076820 /nfs/dbraw/zinc/07/68/20/643076820.db2.gz ZIAFPDIJWGOACM-YFKPBYRVSA-N -1 3 214.225 0.177 20 0 BCADHM COc1nnc(NC(=O)[C@@H](O)c2ccccc2)[n-]1 ZINC000182992618 643077082 /nfs/dbraw/zinc/07/70/82/643077082.db2.gz ZSHLHGJAXJCZOY-QMMMGPOBSA-N -1 3 248.242 0.485 20 0 BCADHM COc1nc(NC(=O)[C@@H](O)c2ccccc2)n[n-]1 ZINC000182992618 643077086 /nfs/dbraw/zinc/07/70/86/643077086.db2.gz ZSHLHGJAXJCZOY-QMMMGPOBSA-N -1 3 248.242 0.485 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](O)c2ccccc2)n1 ZINC000182992618 643077093 /nfs/dbraw/zinc/07/70/93/643077093.db2.gz ZSHLHGJAXJCZOY-QMMMGPOBSA-N -1 3 248.242 0.485 20 0 BCADHM CO[C@H](C)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189243932 643113020 /nfs/dbraw/zinc/11/30/20/643113020.db2.gz XKCYDRBXAJGRQO-RKDXNWHRSA-N -1 3 217.265 0.496 20 0 BCADHM O=C(NOCc1ccc(F)cc1)c1c[n-]nn1 ZINC000184241567 643201813 /nfs/dbraw/zinc/20/18/13/643201813.db2.gz USKQMIGHFRMMMG-UHFFFAOYSA-N -1 3 236.206 0.805 20 0 BCADHM O=C(NOCc1ccc(F)cc1)c1cnn[n-]1 ZINC000184241567 643201818 /nfs/dbraw/zinc/20/18/18/643201818.db2.gz USKQMIGHFRMMMG-UHFFFAOYSA-N -1 3 236.206 0.805 20 0 BCADHM O=C(NOCc1ccc(F)cc1)c1cn[n-]n1 ZINC000184241567 643201821 /nfs/dbraw/zinc/20/18/21/643201821.db2.gz USKQMIGHFRMMMG-UHFFFAOYSA-N -1 3 236.206 0.805 20 0 BCADHM Cn1cc(CC(=O)[N-]OC2CCC2)cn1 ZINC000812787857 643377521 /nfs/dbraw/zinc/37/75/21/643377521.db2.gz ATWGWUDLUWZROP-UHFFFAOYSA-N -1 3 209.249 0.563 20 0 BCADHM CC(=O)[N-]OCC(=O)N(CC(C)C)C1CC1 ZINC000084489705 643663133 /nfs/dbraw/zinc/66/31/33/643663133.db2.gz NMOQFZJLSPCQMA-UHFFFAOYSA-N -1 3 228.292 0.701 20 0 BCADHM CC(=O)[N-]OCC(=O)Nc1cc(F)cc(F)c1 ZINC000084489693 643664254 /nfs/dbraw/zinc/66/42/54/643664254.db2.gz DUZUFBLOVGHZGT-UHFFFAOYSA-N -1 3 244.197 0.971 20 0 BCADHM CC(=O)N1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001000989758 643801247 /nfs/dbraw/zinc/80/12/47/643801247.db2.gz YCFPINAXPGDTGK-UHFFFAOYSA-N -1 3 248.282 0.600 20 0 BCADHM Cc1cc(COC(=O)c2cnn[n-]2)c(C)nn1 ZINC000922730723 644081425 /nfs/dbraw/zinc/08/14/25/644081425.db2.gz HGKGRUCLWKGBHW-UHFFFAOYSA-N -1 3 233.231 0.569 20 0 BCADHM Cc1cc(COC(=O)c2c[n-]nn2)c(C)nn1 ZINC000922730723 644081431 /nfs/dbraw/zinc/08/14/31/644081431.db2.gz HGKGRUCLWKGBHW-UHFFFAOYSA-N -1 3 233.231 0.569 20 0 BCADHM CO[N-]C(=O)CNCc1cn(C(C)C)nc1C ZINC000922828565 644103988 /nfs/dbraw/zinc/10/39/88/644103988.db2.gz XAVGEXOIDHDXFW-UHFFFAOYSA-N -1 3 240.307 0.540 20 0 BCADHM CO[N-]C(=O)CNCc1cn(C)nc1C(F)F ZINC000922827675 644104692 /nfs/dbraw/zinc/10/46/92/644104692.db2.gz LCGSFISAPZBEJH-UHFFFAOYSA-N -1 3 248.233 0.125 20 0 BCADHM CO[N-]C(=O)CNCc1cc(C)oc1C ZINC000922830345 644114623 /nfs/dbraw/zinc/11/46/23/644114623.db2.gz OLJRIQRGZPCWKX-UHFFFAOYSA-N -1 3 212.249 0.664 20 0 BCADHM CO[N-]C(=O)CNCc1ccc(F)cc1F ZINC000922829846 644115336 /nfs/dbraw/zinc/11/53/36/644115336.db2.gz JZKKVOHQSMFUDR-UHFFFAOYSA-N -1 3 230.214 0.732 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1CCCCN1CC ZINC000186892841 644153807 /nfs/dbraw/zinc/15/38/07/644153807.db2.gz FXTSJJVWOFXSNE-LLVKDONJSA-N -1 3 244.335 0.945 20 0 BCADHM CCOCCO[N-]C(=O)CCCC(C)=O ZINC000186893881 644153953 /nfs/dbraw/zinc/15/39/53/644153953.db2.gz SWQPGIURBXFLRX-UHFFFAOYSA-N -1 3 217.265 0.830 20 0 BCADHM CCOCCO[N-]C(=O)CC1(O)CCCC1 ZINC000187157961 644410886 /nfs/dbraw/zinc/41/08/86/644410886.db2.gz RBRCYZBNXGGLTD-UHFFFAOYSA-N -1 3 231.292 0.766 20 0 BCADHM CCc1cccc(CC(=O)[N-]OCC(N)=O)c1 ZINC000089462991 644551714 /nfs/dbraw/zinc/55/17/14/644551714.db2.gz CBZSBWVGASGAOY-UHFFFAOYSA-N -1 3 236.271 0.325 20 0 BCADHM C/C(=C/C(=O)[N-]OCC(N)=O)c1ccccc1 ZINC000089465104 644552842 /nfs/dbraw/zinc/55/28/42/644552842.db2.gz WSVMCAIDVSHZAZ-CLFYSBASSA-N -1 3 234.255 0.623 20 0 BCADHM C[C@](O)(CC(=O)[N-]OCC(F)F)C1CC1 ZINC000760151415 644646887 /nfs/dbraw/zinc/64/68/87/644646887.db2.gz RYSWMWAWVLKWMT-VIFPVBQESA-N -1 3 223.219 0.850 20 0 BCADHM C[C@@](O)(CC(=O)[N-]OCC(F)F)C1CC1 ZINC000760151412 644646997 /nfs/dbraw/zinc/64/69/97/644646997.db2.gz RYSWMWAWVLKWMT-SECBINFHSA-N -1 3 223.219 0.850 20 0 BCADHM C[C@@H](O)C[C@@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000304557658 644916133 /nfs/dbraw/zinc/91/61/33/644916133.db2.gz NFMKYGJXAHUJQX-BDAKNGLRSA-N -1 3 223.276 0.922 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OCCC1CC1 ZINC000817403224 644979472 /nfs/dbraw/zinc/97/94/72/644979472.db2.gz DJNWSFSAGPYVLB-DTWKUNHWSA-N -1 3 227.260 0.643 20 0 BCADHM CN(CC(C)(C)CNC(=O)[O-])[C@H]1CCNC1=O ZINC000828154137 645098334 /nfs/dbraw/zinc/09/83/34/645098334.db2.gz GJITUECKYXEPIM-QMMMGPOBSA-N -1 3 243.307 0.101 20 0 BCADHM O=C(CCCF)[N-]OC1CCOCC1 ZINC000832389250 645134841 /nfs/dbraw/zinc/13/48/41/645134841.db2.gz BULNAYDVSCPGPN-UHFFFAOYSA-N -1 3 205.229 0.963 20 0 BCADHM CCO[N-]C(=O)CN[C@@H](C)c1ccccn1 ZINC000846093290 645403225 /nfs/dbraw/zinc/40/32/25/645403225.db2.gz OGVITBQNRMRYJG-VIFPVBQESA-N -1 3 223.276 0.800 20 0 BCADHM O=C(C[C@H]1CCC(=O)NC1)[N-]OCC1CC1 ZINC000857511905 645583034 /nfs/dbraw/zinc/58/30/34/645583034.db2.gz CKQTXWGZHFHCNI-SECBINFHSA-N -1 3 226.276 0.361 20 0 BCADHM CC(C)O[N-]C(=O)CCc1nc(N(C)C)no1 ZINC000857522719 645591704 /nfs/dbraw/zinc/59/17/04/645591704.db2.gz OJXVKLQRKDPIHU-UHFFFAOYSA-N -1 3 242.279 0.524 20 0 BCADHM O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cc(=O)[n-]cn1 ZINC000928058381 645699957 /nfs/dbraw/zinc/69/99/57/645699957.db2.gz BAHRGTHZOFDCIT-KCJUWKMLSA-N -1 3 249.270 0.480 20 0 BCADHM O=C(N[C@H]1CCOC12CCCC2)c1cn[n-]n1 ZINC000890422703 645773582 /nfs/dbraw/zinc/77/35/82/645773582.db2.gz WYKHDZWQCZOHPF-VIFPVBQESA-N -1 3 236.275 0.636 20 0 BCADHM O=C(N[C@H](c1ncccn1)C1CC1)c1cn[n-]n1 ZINC000928585002 645838190 /nfs/dbraw/zinc/83/81/90/645838190.db2.gz KJGAXBFONVUMTF-VIFPVBQESA-N -1 3 244.258 0.476 20 0 BCADHM CO[N-]C(=O)[C@H]1C[C@]12c1ccccc1NC2=O ZINC000929851968 646360197 /nfs/dbraw/zinc/36/01/97/646360197.db2.gz LLOLLCINONSGSQ-PELKAZGASA-N -1 3 232.239 0.574 20 0 BCADHM COC[C@H](CN1CCO[C@H](C(=O)[O-])C1)C(C)C ZINC000721856794 711791600 /nfs/dbraw/zinc/79/16/00/711791600.db2.gz AEQOUQBQRVDKHA-QWRGUYRKSA-N -1 3 245.319 0.690 20 0 BCADHM NC(=O)CCC(=O)[N-]OC1CCCCC1 ZINC000907545011 711816089 /nfs/dbraw/zinc/81/60/89/711816089.db2.gz YIMADZQTRCOUID-UHFFFAOYSA-N -1 3 214.265 0.632 20 0 BCADHM COCC(C)(C)CN1CCOC[C@H]1C(=O)[O-] ZINC000700596668 711999655 /nfs/dbraw/zinc/99/96/55/711999655.db2.gz JBWPKJBXQGDJNQ-VIFPVBQESA-N -1 3 231.292 0.444 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCCOC(N)=O ZINC000706618662 712151195 /nfs/dbraw/zinc/15/11/95/712151195.db2.gz ARWWVMAXBSGXCP-UHFFFAOYSA-N -1 3 238.243 0.940 20 0 BCADHM CN1CC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC000712284716 712394450 /nfs/dbraw/zinc/39/44/50/712394450.db2.gz NSBWTJQNKWWGQX-QMMMGPOBSA-N -1 3 238.262 0.965 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@H](O)[C@H](C)O ZINC000717412761 712656315 /nfs/dbraw/zinc/65/63/15/712656315.db2.gz NMKCQLPCZDWOKY-WPRPVWTQSA-N -1 3 239.271 0.172 20 0 BCADHM CC(=O)NCCCNc1cc(=O)[n-]c(C)n1 ZINC000383493331 710983564 /nfs/dbraw/zinc/98/35/64/710983564.db2.gz UKEDAOQMAFTFTB-UHFFFAOYSA-N -1 3 224.264 0.429 20 0 BCADHM COCCCC(=O)[N-]OCCSC ZINC000388620733 711063580 /nfs/dbraw/zinc/06/35/80/711063580.db2.gz GZOCZIABXHWANY-UHFFFAOYSA-N -1 3 207.295 0.824 20 0 BCADHM C[C@@H]1COCCN(c2cc(=O)[n-]cn2)C1 ZINC000399510398 711429841 /nfs/dbraw/zinc/42/98/41/711429841.db2.gz KKXQXIODDNVLNI-QMMMGPOBSA-N -1 3 209.249 0.655 20 0 BCADHM CCC[C@@](C)(NCc1cnn(C)n1)C(=O)[O-] ZINC000381307440 710620327 /nfs/dbraw/zinc/62/03/27/710620327.db2.gz LAABVFLWHVNAEM-SNVBAGLBSA-N -1 3 226.280 0.548 20 0 BCADHM C[C@@H](C(=O)[O-])N(C(=O)[C@@H](N)CC1CC1)C1CC1 ZINC000383226768 710979443 /nfs/dbraw/zinc/97/94/43/710979443.db2.gz BRTIKXLFGZVPCY-XVKPBYJWSA-N -1 3 240.303 0.578 20 0 BCADHM CCc1nnc(CNc2cc(=O)[n-]c(C)n2)[nH]1 ZINC000392534836 711149113 /nfs/dbraw/zinc/14/91/13/711149113.db2.gz GORGSTCWIUUEEV-UHFFFAOYSA-N -1 3 234.263 0.783 20 0 BCADHM O=c1cc([C@@H]2CCN(c3ncccn3)C2)[n-][nH]1 ZINC000894372617 711770995 /nfs/dbraw/zinc/77/09/95/711770995.db2.gz LPBFQAVUNJICPB-MRVPVSSYSA-N -1 3 231.259 0.899 20 0 BCADHM COC[C@@H](CN1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC000721856786 711791618 /nfs/dbraw/zinc/79/16/18/711791618.db2.gz AEQOUQBQRVDKHA-GHMZBOCLSA-N -1 3 245.319 0.690 20 0 BCADHM CC(C)C[C@H](CO)Nc1cc(=O)[n-]cn1 ZINC000165214137 711825751 /nfs/dbraw/zinc/82/57/51/711825751.db2.gz JSYFVXGZWHFCJE-MRVPVSSYSA-N -1 3 211.265 0.589 20 0 BCADHM C[C@H](O)[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451759315 711952702 /nfs/dbraw/zinc/95/27/02/711952702.db2.gz ROSCZPOTOUNMRD-YUMQZZPRSA-N -1 3 241.262 0.959 20 0 BCADHM C[C@@H]1CCN(c2cc(=O)[n-]cn2)C[C@@H]1CO ZINC000700418801 711993079 /nfs/dbraw/zinc/99/30/79/711993079.db2.gz NTTRMTLBESLGIP-RKDXNWHRSA-N -1 3 223.276 0.637 20 0 BCADHM O=c1cc(NCCOCCF)nc[n-]1 ZINC000702586702 712055752 /nfs/dbraw/zinc/05/57/52/712055752.db2.gz PLUUXGPFAXNYLU-UHFFFAOYSA-N -1 3 201.201 0.580 20 0 BCADHM O=c1cc(N2CC[C@]3(CCOC3)C2)nc[n-]1 ZINC000707348289 712168583 /nfs/dbraw/zinc/16/85/83/712168583.db2.gz ZSFIXGJNGSUDTJ-NSHDSACASA-N -1 3 221.260 0.799 20 0 BCADHM COC[C@H](CCNc1cc(=O)[n-]cn1)OC ZINC000710684019 712254149 /nfs/dbraw/zinc/25/41/49/712254149.db2.gz ZISYHBUTAKGNFL-QMMMGPOBSA-N -1 3 227.264 0.646 20 0 BCADHM CCN1CC[C@H]1CNC(=O)c1cncc([O-])c1 ZINC000712314735 712395834 /nfs/dbraw/zinc/39/58/34/712395834.db2.gz NWHRDARWWRKXCC-JTQLQIEISA-N -1 3 235.287 0.611 20 0 BCADHM O=C1C[C@H](Nc2cc(=O)[n-]cn2)CN1CC1CC1 ZINC000716793993 712573882 /nfs/dbraw/zinc/57/38/82/712573882.db2.gz IQYNEPZIZIAZEN-VIFPVBQESA-N -1 3 248.286 0.605 20 0 BCADHM Cn1cc(CCC(=O)[N-]OC2CCC2)cn1 ZINC000812788356 712586664 /nfs/dbraw/zinc/58/66/64/712586664.db2.gz LROGVATUGXOWAK-UHFFFAOYSA-N -1 3 223.276 0.953 20 0 BCADHM O=C([N-]C/C=C/CO)C(F)(F)C(F)F ZINC000717518583 712660148 /nfs/dbraw/zinc/66/01/48/712660148.db2.gz TYFSYWNASVYUHM-OWOJBTEDSA-N -1 3 215.146 0.552 20 0 BCADHM COC(C)(C)[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000720099832 712828397 /nfs/dbraw/zinc/82/83/97/712828397.db2.gz FMULISFKEZPKNB-ZCFIWIBFSA-N -1 3 212.253 0.348 20 0 BCADHM COC(C)(C)[C@H](C)NC(=O)c1cn[n-]n1 ZINC000720099827 712828485 /nfs/dbraw/zinc/82/84/85/712828485.db2.gz FMULISFKEZPKNB-LURJTMIESA-N -1 3 212.253 0.348 20 0 BCADHM C[C@@H]1CCN(c2cc(=O)[n-]cn2)CCO1 ZINC000720433117 712842315 /nfs/dbraw/zinc/84/23/15/712842315.db2.gz BKQQYBBEWJKARY-MRVPVSSYSA-N -1 3 209.249 0.797 20 0 BCADHM Cc1nc(NC[C@H]2C[C@@H](O)C2)cc(=O)[n-]1 ZINC000720971586 712884105 /nfs/dbraw/zinc/88/41/05/712884105.db2.gz XQFUWWWKFHJQKD-OCAPTIKFSA-N -1 3 209.249 0.673 20 0 BCADHM O=C1CCCN1c1cccc(-c2nnn[n-]2)c1 ZINC000408496707 136213997 /nfs/dbraw/zinc/21/39/97/136213997.db2.gz HLMFXUQQKUSABN-UHFFFAOYSA-N -1 3 229.243 0.994 20 0 BCADHM O=C1CCCN1c1cccc(-c2nn[n-]n2)c1 ZINC000408496707 136213998 /nfs/dbraw/zinc/21/39/98/136213998.db2.gz HLMFXUQQKUSABN-UHFFFAOYSA-N -1 3 229.243 0.994 20 0 BCADHM CCC(CC)([N-]S(C)(=O)=O)C(=O)OC ZINC000337959839 168332339 /nfs/dbraw/zinc/33/23/39/168332339.db2.gz VCUKUONXIBAJLK-UHFFFAOYSA-N -1 3 223.294 0.267 20 0 BCADHM CCC[C@@H]([N-]S(=O)(=O)CC1CC1)C(=O)OC ZINC000560934374 322993547 /nfs/dbraw/zinc/99/35/47/322993547.db2.gz LYWKCAFLGMRKDP-SECBINFHSA-N -1 3 249.332 0.658 20 0 BCADHM Cc1ccc(C(=O)NN2CCOCC2)c([O-])c1 ZINC000072651857 398183079 /nfs/dbraw/zinc/18/30/79/398183079.db2.gz RCDHZKLRRMRFQY-UHFFFAOYSA-N -1 3 236.271 0.678 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1CCOC1 ZINC000109888921 136215483 /nfs/dbraw/zinc/21/54/83/136215483.db2.gz GHXIPKPBWXRMIP-ZETCQYMHSA-N -1 3 208.217 0.762 20 0 BCADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CNCCO1 ZINC000649373564 398183324 /nfs/dbraw/zinc/18/33/24/398183324.db2.gz ABYCZRPAHSETIC-SNVBAGLBSA-N -1 3 240.234 0.458 20 0 BCADHM Cc1cc(CS(=O)(=O)[N-]CCF)no1 ZINC000341094427 178051132 /nfs/dbraw/zinc/05/11/32/178051132.db2.gz UDUNRNQVYLCDLW-UHFFFAOYSA-N -1 3 222.241 0.372 20 0 BCADHM CCCCS(=O)(=O)[N-]C1(C(=O)OC)CCC1 ZINC000119261670 398192967 /nfs/dbraw/zinc/19/29/67/398192967.db2.gz PEMYERQFXISGCG-UHFFFAOYSA-N -1 3 249.332 0.802 20 0 BCADHM O=C(NC1(CO)CCC1)c1ccc2n[n-]nc2c1 ZINC000162254133 538921882 /nfs/dbraw/zinc/92/18/82/538921882.db2.gz ZEODOHLGDGSBQP-UHFFFAOYSA-N -1 3 246.270 0.603 20 0 BCADHM CC1(C)OCC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000649403111 398205194 /nfs/dbraw/zinc/20/51/94/398205194.db2.gz BUIVWNGLVADPDF-MRVPVSSYSA-N -1 3 233.275 0.706 20 0 BCADHM Cc1cc([N-]C(=O)[C@@H](C)S(C)(=O)=O)on1 ZINC000357410574 178144462 /nfs/dbraw/zinc/14/44/62/178144462.db2.gz RNAYJXJMUVVFTO-ZCFIWIBFSA-N -1 3 232.261 0.355 20 0 BCADHM Cc1cc(NC(=O)c2nnc[n-]2)n(C)n1 ZINC000087441640 178153203 /nfs/dbraw/zinc/15/32/03/178153203.db2.gz WUYKKLYVESOZKH-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM Cc1cc(NC(=O)c2nc[n-]n2)n(C)n1 ZINC000087441640 178153204 /nfs/dbraw/zinc/15/32/04/178153204.db2.gz WUYKKLYVESOZKH-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM Cc1cc(NC(=O)c2nc[n-]n2)sn1 ZINC000358592037 178153360 /nfs/dbraw/zinc/15/33/60/178153360.db2.gz RVFNUHPGSGCYFL-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N(C)CCCO)n1 ZINC000281818197 178203087 /nfs/dbraw/zinc/20/30/87/178203087.db2.gz LOIQCKKXATWKHZ-VIFPVBQESA-N -1 3 225.292 0.866 20 0 BCADHM COc1cc(=NC(=O)[C@@H]2CC2(F)F)[n-]n1C ZINC000649425645 398228113 /nfs/dbraw/zinc/22/81/13/398228113.db2.gz CEFDOIIRLCJUJK-YFKPBYRVSA-N -1 3 231.202 0.444 20 0 BCADHM C/C=C\C[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000625556722 343990518 /nfs/dbraw/zinc/99/05/18/343990518.db2.gz BSXMMCULAAEYFO-HYXAFXHYSA-N -1 3 229.305 0.757 20 0 BCADHM CC[C@@H](CO)N(C)C(=O)Cc1cncc([O-])c1 ZINC000576597006 365636754 /nfs/dbraw/zinc/63/67/54/365636754.db2.gz FOFJDKMPTFLXTD-JTQLQIEISA-N -1 3 238.287 0.559 20 0 BCADHM C[C@H]1CSCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000625748946 398253522 /nfs/dbraw/zinc/25/35/22/398253522.db2.gz UAEJWIRDRJVFIV-ZETCQYMHSA-N -1 3 239.300 0.760 20 0 BCADHM Cc1ccc(C(=O)N2CC(O)C2)c([O-])c1C ZINC000270409839 178383592 /nfs/dbraw/zinc/38/35/92/178383592.db2.gz NLYSMIRKXTYJGK-UHFFFAOYSA-N -1 3 221.256 0.826 20 0 BCADHM Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2C)c([O-])c1 ZINC000104433461 178391468 /nfs/dbraw/zinc/39/14/68/178391468.db2.gz CCZFPWDNHCGKNA-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM C[C@@H]1CC[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335143436 136233627 /nfs/dbraw/zinc/23/36/27/136233627.db2.gz PAVCDLHSFDBMCM-RKDXNWHRSA-N -1 3 224.308 0.729 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CCC(=O)N1 ZINC000082258984 398272338 /nfs/dbraw/zinc/27/23/38/398272338.db2.gz VAJYFNYFYACRIL-ZCFIWIBFSA-N -1 3 221.216 0.004 20 0 BCADHM C[C@@H](CNC(=O)c1cncc([O-])c1)N(C)C ZINC000082650999 398277039 /nfs/dbraw/zinc/27/70/39/398277039.db2.gz XFPINCBERVFRAO-QMMMGPOBSA-N -1 3 223.276 0.467 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CO[C@H](C)C2)[n-]1 ZINC000162242941 349618635 /nfs/dbraw/zinc/61/86/35/349618635.db2.gz XLOFZTJYSMTXJS-RITPCOANSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CO[C@H](C)C2)n[n-]1 ZINC000162242941 349618636 /nfs/dbraw/zinc/61/86/36/349618636.db2.gz XLOFZTJYSMTXJS-RITPCOANSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CO[C@H](C)C2)n1 ZINC000162242941 349618637 /nfs/dbraw/zinc/61/86/37/349618637.db2.gz XLOFZTJYSMTXJS-RITPCOANSA-N -1 3 226.236 0.177 20 0 BCADHM CC(C)(O)C[N-]S(=O)(=O)c1cccs1 ZINC000036111341 342810955 /nfs/dbraw/zinc/81/09/55/342810955.db2.gz AMVNRYLGLUSFTP-UHFFFAOYSA-N -1 3 235.330 0.797 20 0 BCADHM CN(CC1CC1)S(=O)(=O)[N-]c1cnn(C)c1 ZINC000348739713 136239321 /nfs/dbraw/zinc/23/93/21/136239321.db2.gz KSZWVSTYOPHPHB-UHFFFAOYSA-N -1 3 244.320 0.419 20 0 BCADHM CC(C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335438233 398288334 /nfs/dbraw/zinc/28/83/34/398288334.db2.gz JZFBZCHPCSVUEE-UHFFFAOYSA-N -1 3 203.267 0.107 20 0 BCADHM COC[C@@H](C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000624645796 342808072 /nfs/dbraw/zinc/80/80/72/342808072.db2.gz QTHJYJSMTDJJHU-ZETCQYMHSA-N -1 3 225.248 0.195 20 0 BCADHM CC[C@@]1([N-]S(=O)(=O)c2c[nH]cn2)CCOC1 ZINC000382388834 539008927 /nfs/dbraw/zinc/00/89/27/539008927.db2.gz LNTXNWPRTISVNF-SECBINFHSA-N -1 3 245.304 0.257 20 0 BCADHM COC[C@](C)(CCO)NCc1ncccc1[O-] ZINC000519476882 398305117 /nfs/dbraw/zinc/30/51/17/398305117.db2.gz DYWIAZKVACZLID-LBPRGKRZSA-N -1 3 240.303 0.664 20 0 BCADHM C[C@@H](CO)[N-]S(=O)(=O)c1ccccc1F ZINC000035611244 342890691 /nfs/dbraw/zinc/89/06/91/342890691.db2.gz ILDQQBZJKXPUQE-ZETCQYMHSA-N -1 3 233.264 0.485 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCOC[C@H]2C)[n-]1 ZINC000192842939 398323952 /nfs/dbraw/zinc/32/39/52/398323952.db2.gz PEFBSPLJSPGVQO-RQJHMYQMSA-N -1 3 240.263 0.424 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCOC[C@H]2C)n[n-]1 ZINC000192842939 398323953 /nfs/dbraw/zinc/32/39/53/398323953.db2.gz PEFBSPLJSPGVQO-RQJHMYQMSA-N -1 3 240.263 0.424 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCOC[C@H]2C)n1 ZINC000192842939 398323955 /nfs/dbraw/zinc/32/39/55/398323955.db2.gz PEFBSPLJSPGVQO-RQJHMYQMSA-N -1 3 240.263 0.424 20 0 BCADHM CCn1cc(-c2cc(=O)n(CCN(C)C)[n-]2)cn1 ZINC000634590152 342937495 /nfs/dbraw/zinc/93/74/95/342937495.db2.gz RAGTVEKGWQQERI-UHFFFAOYSA-N -1 3 249.318 0.401 20 0 BCADHM CC1(c2noc([C@H]3CCS(=O)(=O)[N-]3)n2)CC1 ZINC000650623186 398334024 /nfs/dbraw/zinc/33/40/24/398334024.db2.gz KPQOTMXBMNOFMO-ZCFIWIBFSA-N -1 3 243.288 0.485 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]C(C)(C)CF)cn1 ZINC000351768075 136252822 /nfs/dbraw/zinc/25/28/22/136252822.db2.gz AVCULYQGGQLRGV-UHFFFAOYSA-N -1 3 249.311 0.929 20 0 BCADHM C[C@@H](NC(=O)[C@@H]1NCCCC1(C)C)C(=O)[O-] ZINC000235172278 342991934 /nfs/dbraw/zinc/99/19/34/342991934.db2.gz RLWOKDYITVEDAA-SFYZADRCSA-N -1 3 228.292 0.354 20 0 BCADHM Cc1nc([N-]C(=O)c2nccs2)n[nH]1 ZINC000683551470 488193546 /nfs/dbraw/zinc/19/35/46/488193546.db2.gz GLUUFCZKTCEVSC-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1[n-]n(-c2nc[nH]n2)c(=O)c1C1CC1 ZINC000634607985 343003668 /nfs/dbraw/zinc/00/36/68/343003668.db2.gz NOADYVCYABHQBQ-SSDOTTSWSA-N -1 3 205.221 0.553 20 0 BCADHM C[C@@H](O)Cn1ncc2cc([O-])ccc2c1=O ZINC000634613190 343010190 /nfs/dbraw/zinc/01/01/90/343010190.db2.gz RVWIQMPXKTZUHC-SSDOTTSWSA-N -1 3 220.228 0.483 20 0 BCADHM C[C@H](CO)n1ncc2cc([O-])ccc2c1=O ZINC000634617805 343015746 /nfs/dbraw/zinc/01/57/46/343015746.db2.gz YJULIUGUQSWNMH-SSDOTTSWSA-N -1 3 220.228 0.655 20 0 BCADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)C1 ZINC000625644058 344024260 /nfs/dbraw/zinc/02/42/60/344024260.db2.gz JUMBJTOJMBIHNM-LJGSYFOKSA-N -1 3 248.329 0.599 20 0 BCADHM COCC(COC)n1[n-]c(C)c(C2CC2)c1=O ZINC000634634926 343049083 /nfs/dbraw/zinc/04/90/83/343049083.db2.gz OSVYOUQBGRIMHT-NSHDSACASA-N -1 3 240.303 0.892 20 0 BCADHM CC(C)C1CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000626254977 349794275 /nfs/dbraw/zinc/79/42/75/349794275.db2.gz HOALRWKCWKXWQU-UHFFFAOYSA-N -1 3 221.260 0.910 20 0 BCADHM O=C([O-])c1cnccc1NC[C@H](O)C(F)F ZINC000236522038 343101748 /nfs/dbraw/zinc/10/17/48/343101748.db2.gz SONCUOIDWHFJDP-ZETCQYMHSA-N -1 3 232.186 0.818 20 0 BCADHM Cc1c2occ([O-])c2ccc1OCC(N)=O ZINC000634560674 362048633 /nfs/dbraw/zinc/04/86/33/362048633.db2.gz SMXNJYKJKLOKEW-UHFFFAOYSA-N -1 3 221.212 0.434 20 0 BCADHM CO[N-]C(=O)CCc1nc(-c2ccco2)no1 ZINC000025827313 343096210 /nfs/dbraw/zinc/09/62/10/343096210.db2.gz RYSWQGXHINNNAU-UHFFFAOYSA-N -1 3 237.215 0.940 20 0 BCADHM CC(C)CN(CC(=O)[O-])C[C@H](O)C(F)(F)F ZINC000082681356 362100123 /nfs/dbraw/zinc/10/01/23/362100123.db2.gz QEOIVLCSUAALSV-ZETCQYMHSA-N -1 3 243.225 0.952 20 0 BCADHM C[C@H](CN1CCCCC1)NC(=O)[C@@H](C)C(=O)[O-] ZINC000122056372 343158189 /nfs/dbraw/zinc/15/81/89/343158189.db2.gz KSZUXDPANZXUFH-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM CCN1CCCC[C@@H]1CNC(=O)C(=O)[O-] ZINC000308895328 346929876 /nfs/dbraw/zinc/92/98/76/346929876.db2.gz ZDJAPVNZXNRJLE-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM CSCC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000609040880 343262613 /nfs/dbraw/zinc/26/26/13/343262613.db2.gz XXFCBIKLGJWZJH-UHFFFAOYSA-N -1 3 235.334 0.061 20 0 BCADHM CC[C@H](O)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492883178 529702915 /nfs/dbraw/zinc/70/29/15/529702915.db2.gz AMEYPXYFDXJLHB-XOULXFPDSA-N -1 3 236.271 0.688 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000042204343 343430932 /nfs/dbraw/zinc/43/09/32/343430932.db2.gz PSPKARMJMZMQGG-ZETCQYMHSA-N -1 3 223.228 0.684 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000042237457 343432162 /nfs/dbraw/zinc/43/21/62/343432162.db2.gz QPIWZYLNPLQHJM-ZCFIWIBFSA-N -1 3 239.227 0.389 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)n2cc(CCO)nn2)n1 ZINC000641145805 362238209 /nfs/dbraw/zinc/23/82/09/362238209.db2.gz PBAGAKUYJSUNOQ-QMMMGPOBSA-N -1 3 249.274 0.226 20 0 BCADHM Cc1nccnc1CN1CC2CC1(C(=O)[O-])C2 ZINC000634692657 343477973 /nfs/dbraw/zinc/47/79/73/343477973.db2.gz GDGXPCRVZQDIAB-UHFFFAOYSA-N -1 3 233.271 0.834 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)C2CC2)[n-]1 ZINC000617870007 343479514 /nfs/dbraw/zinc/47/95/14/343479514.db2.gz ALGSJPSASZCDEH-UHFFFAOYSA-N -1 3 223.232 0.935 20 0 BCADHM CCOC(=O)c1nc(NC(=O)C2CC2)c[n-]1 ZINC000617870007 343479516 /nfs/dbraw/zinc/47/95/16/343479516.db2.gz ALGSJPSASZCDEH-UHFFFAOYSA-N -1 3 223.232 0.935 20 0 BCADHM CSC1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000602922624 349812179 /nfs/dbraw/zinc/81/21/79/349812179.db2.gz LORZVGRSOPDLCR-UHFFFAOYSA-N -1 3 242.348 0.436 20 0 BCADHM CCCCN(CC)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000043109345 343463641 /nfs/dbraw/zinc/46/36/41/343463641.db2.gz NUIVKNNSIBFXCY-QMMMGPOBSA-N -1 3 241.291 0.233 20 0 BCADHM O=C([O-])C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000083913150 343508995 /nfs/dbraw/zinc/50/89/95/343508995.db2.gz LCYQIHJFBSAKBJ-MRVPVSSYSA-N -1 3 226.276 0.204 20 0 BCADHM O=C(NCCF)c1cc(F)c[n-]c1=O ZINC000621989905 370646229 /nfs/dbraw/zinc/64/62/29/370646229.db2.gz ZULNGJILXIFSOX-UHFFFAOYSA-N -1 3 202.160 0.626 20 0 BCADHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000398673340 488222589 /nfs/dbraw/zinc/22/25/89/488222589.db2.gz KKVGVRKYILFSSL-QMMMGPOBSA-N -1 3 247.320 0.239 20 0 BCADHM Cc1cccc(C(=O)NCCn2ncnn2)c1[O-] ZINC000379972293 365769219 /nfs/dbraw/zinc/76/92/19/365769219.db2.gz NIFJLVXCCLYSSN-UHFFFAOYSA-N -1 3 247.258 0.117 20 0 BCADHM Oc1[n-]c(N[C@@H]2CCSC2)nc2nncc1-2 ZINC000280418351 187341760 /nfs/dbraw/zinc/34/17/60/187341760.db2.gz JNFIQMIQLKLLCL-RXMQYKEDSA-N -1 3 237.288 0.976 20 0 BCADHM CC(C)(CO)C(=O)NCc1ncccc1[O-] ZINC000580569995 365774985 /nfs/dbraw/zinc/77/49/85/365774985.db2.gz LQNHOIBKTJKSMA-UHFFFAOYSA-N -1 3 224.260 0.422 20 0 BCADHM CCc1nnc(S(=O)(=O)CCC(C)(C)O)[n-]1 ZINC000086170564 537785234 /nfs/dbraw/zinc/78/52/34/537785234.db2.gz QASLSBNDTFIVKD-UHFFFAOYSA-N -1 3 247.320 0.302 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CCC(C)(C)O)n1 ZINC000086170564 537785240 /nfs/dbraw/zinc/78/52/40/537785240.db2.gz QASLSBNDTFIVKD-UHFFFAOYSA-N -1 3 247.320 0.302 20 0 BCADHM Cc1noc(C)c1[C@H](C)NC(=O)c1c[n-]nn1 ZINC000083574445 343635614 /nfs/dbraw/zinc/63/56/14/343635614.db2.gz GIFLSKXCGDNTAU-YFKPBYRVSA-N -1 3 235.247 0.901 20 0 BCADHM Cc1noc(C)c1[C@H](C)NC(=O)c1cnn[n-]1 ZINC000083574445 343635615 /nfs/dbraw/zinc/63/56/15/343635615.db2.gz GIFLSKXCGDNTAU-YFKPBYRVSA-N -1 3 235.247 0.901 20 0 BCADHM Cc1noc(C)c1[C@H](C)NC(=O)c1cn[n-]n1 ZINC000083574445 343635616 /nfs/dbraw/zinc/63/56/16/343635616.db2.gz GIFLSKXCGDNTAU-YFKPBYRVSA-N -1 3 235.247 0.901 20 0 BCADHM CO[C@H]1CN(CCOC(C)C)[C@](C)(C(=O)[O-])C1 ZINC000634695703 343623609 /nfs/dbraw/zinc/62/36/09/343623609.db2.gz YHQPRDXLQWNMJG-PWSUYJOCSA-N -1 3 245.319 0.975 20 0 BCADHM C[C@@H](O)C1(NC(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000620071282 343627368 /nfs/dbraw/zinc/62/73/68/343627368.db2.gz MOMSJOSSKUMPAI-SSDOTTSWSA-N -1 3 246.270 0.601 20 0 BCADHM O=S(=O)([N-][C@@H]1C[C@H]2CC[C@@H]1O2)c1c[nH]cn1 ZINC000087689669 343657695 /nfs/dbraw/zinc/65/76/95/343657695.db2.gz HFLYZRBRDLURBK-PRJMDXOYSA-N -1 3 243.288 0.008 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC1(CO)CC1 ZINC000626256924 349850421 /nfs/dbraw/zinc/85/04/21/349850421.db2.gz IVVWQXUNXSFYSX-UHFFFAOYSA-N -1 3 221.256 0.955 20 0 BCADHM CN(CC1CC1)C(=O)c1cc(=O)[n-]cn1 ZINC000624395194 343752448 /nfs/dbraw/zinc/75/24/48/343752448.db2.gz LMBRRQYJMVFIKX-UHFFFAOYSA-N -1 3 207.233 0.664 20 0 BCADHM CNC(=O)CN(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492449067 529860522 /nfs/dbraw/zinc/86/05/22/529860522.db2.gz YPLROPYXQPNVDE-ARJAWSKDSA-N -1 3 249.270 0.005 20 0 BCADHM CCCCS(=O)(=O)[N-][C@H]1COCCC1=O ZINC000625490157 343886170 /nfs/dbraw/zinc/88/61/70/343886170.db2.gz JPPCRFVAGVAHGU-QMMMGPOBSA-N -1 3 235.305 0.064 20 0 BCADHM CC(C)C[C@@H](C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000120875226 187354491 /nfs/dbraw/zinc/35/44/91/187354491.db2.gz DKDXGWOUNQMAEF-MRVPVSSYSA-N -1 3 241.291 0.089 20 0 BCADHM COc1ccc([O-])c(C(=O)N2CCNCC2)c1 ZINC000044418985 187354809 /nfs/dbraw/zinc/35/48/09/187354809.db2.gz RNDJUAZIPFGXMZ-UHFFFAOYSA-N -1 3 236.271 0.446 20 0 BCADHM O=c1[n-]c(=O)n(Cc2ncccn2)cc1Cl ZINC000091329778 343949196 /nfs/dbraw/zinc/94/91/96/343949196.db2.gz FUHLBBFZCVONAG-UHFFFAOYSA-N -1 3 238.634 0.028 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H](C)CC(N)=O ZINC000625785243 344074080 /nfs/dbraw/zinc/07/40/80/344074080.db2.gz LJRFMPMTSZKHHD-MRVPVSSYSA-N -1 3 236.271 0.694 20 0 BCADHM C[C@H]1CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000641244042 362320143 /nfs/dbraw/zinc/32/01/43/362320143.db2.gz RULAYDYCSPKTIE-VIFPVBQESA-N -1 3 248.282 0.743 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)/C=C\C1CC1 ZINC000493015989 529954331 /nfs/dbraw/zinc/95/43/31/529954331.db2.gz GKGBYOYUDNSBCF-PLNGDYQASA-N -1 3 235.247 0.069 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C=CC1CC1 ZINC000493015989 529954333 /nfs/dbraw/zinc/95/43/33/529954333.db2.gz GKGBYOYUDNSBCF-PLNGDYQASA-N -1 3 235.247 0.069 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C=CC1CC1 ZINC000493015989 529954335 /nfs/dbraw/zinc/95/43/35/529954335.db2.gz GKGBYOYUDNSBCF-PLNGDYQASA-N -1 3 235.247 0.069 20 0 BCADHM O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(=O)[n-]cn1 ZINC000624611726 344102347 /nfs/dbraw/zinc/10/23/47/344102347.db2.gz ZXIXWOKYQLCDOD-MRVPVSSYSA-N -1 3 248.286 0.149 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)C1COC1 ZINC000528547253 262958972 /nfs/dbraw/zinc/95/89/72/262958972.db2.gz IMVVOYRVIGTUKW-OORONAJNSA-N -1 3 249.332 0.117 20 0 BCADHM c1cc(N2CCOCC2)ncc1-c1nnn[n-]1 ZINC000095218180 344333977 /nfs/dbraw/zinc/33/39/77/344333977.db2.gz DXNODVGOXKNRMT-UHFFFAOYSA-N -1 3 232.247 0.098 20 0 BCADHM c1cc(N2CCOCC2)ncc1-c1nn[n-]n1 ZINC000095218180 344333982 /nfs/dbraw/zinc/33/39/82/344333982.db2.gz DXNODVGOXKNRMT-UHFFFAOYSA-N -1 3 232.247 0.098 20 0 BCADHM C[C@@H](O)CC[N-]S(=O)(=O)c1ccccn1 ZINC000132387953 344430818 /nfs/dbraw/zinc/43/08/18/344430818.db2.gz GWFSVZLDXNMCEK-MRVPVSSYSA-N -1 3 230.289 0.131 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000042205102 344445562 /nfs/dbraw/zinc/44/55/62/344445562.db2.gz UEXDXKLIFHURMR-ZCFIWIBFSA-N -1 3 249.313 0.588 20 0 BCADHM O=C(Nc1ncccc1[O-])C1(O)CCOCC1 ZINC000408324260 344506324 /nfs/dbraw/zinc/50/63/24/344506324.db2.gz JYHGCAAUPYHVHA-UHFFFAOYSA-N -1 3 238.243 0.267 20 0 BCADHM CC[C@H](NC(=O)c1c[n-]nn1)[C@H]1CCCO1 ZINC000151951392 344470374 /nfs/dbraw/zinc/47/03/74/344470374.db2.gz DUAYZWXDWUYJAM-IONNQARKSA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@H](NC(=O)c1cnn[n-]1)[C@H]1CCCO1 ZINC000151951392 344470377 /nfs/dbraw/zinc/47/03/77/344470377.db2.gz DUAYZWXDWUYJAM-IONNQARKSA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@H](NC(=O)c1cn[n-]n1)[C@H]1CCCO1 ZINC000151951392 344470380 /nfs/dbraw/zinc/47/03/80/344470380.db2.gz DUAYZWXDWUYJAM-IONNQARKSA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@@H](NC(=O)c1c[n-]nn1)[C@@H]1CCCO1 ZINC000151951313 344470522 /nfs/dbraw/zinc/47/05/22/344470522.db2.gz DUAYZWXDWUYJAM-APPZFPTMSA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@@H](NC(=O)c1cnn[n-]1)[C@@H]1CCCO1 ZINC000151951313 344470526 /nfs/dbraw/zinc/47/05/26/344470526.db2.gz DUAYZWXDWUYJAM-APPZFPTMSA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CCCO1 ZINC000151951313 344470528 /nfs/dbraw/zinc/47/05/28/344470528.db2.gz DUAYZWXDWUYJAM-APPZFPTMSA-N -1 3 224.264 0.492 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)NCCCO ZINC000622300623 344489200 /nfs/dbraw/zinc/48/92/00/344489200.db2.gz VFQIJOCZQPHTLP-UHFFFAOYSA-N -1 3 227.235 0.572 20 0 BCADHM CC[C@@H](O)CCCNC(=O)c1cc(=O)[n-]cn1 ZINC000625936218 344572719 /nfs/dbraw/zinc/57/27/19/344572719.db2.gz DQCHHQLAMQEGLD-MRVPVSSYSA-N -1 3 239.275 0.463 20 0 BCADHM CC[C@H](CO)NC(=O)/C=C/c1cncc([O-])c1 ZINC000182184771 259376712 /nfs/dbraw/zinc/37/67/12/259376712.db2.gz KTRCQLJKQHDPHN-HMDXOVGESA-N -1 3 236.271 0.688 20 0 BCADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)CO)c1 ZINC000035611067 178677443 /nfs/dbraw/zinc/67/74/43/178677443.db2.gz VMXGTMQBMIEBLR-QMMMGPOBSA-N -1 3 247.291 0.793 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC1CCC1 ZINC000525723890 259377328 /nfs/dbraw/zinc/37/73/28/259377328.db2.gz RAYVTYFQQZCIGT-SNVBAGLBSA-N -1 3 237.303 0.805 20 0 BCADHM CCC[C@@](C)(O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000625928968 344569239 /nfs/dbraw/zinc/56/92/39/344569239.db2.gz DSRAKZMOKNUYMM-LLVKDONJSA-N -1 3 239.275 0.463 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC1(C(N)=O)CC1 ZINC000626090231 344732950 /nfs/dbraw/zinc/73/29/50/344732950.db2.gz BHBXUFWKSSLXKB-UHFFFAOYSA-N -1 3 234.255 0.448 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C12CC(C1)C2 ZINC000626034508 344686183 /nfs/dbraw/zinc/68/61/83/344686183.db2.gz COMLDFFXAOKCNM-UHFFFAOYSA-N -1 3 235.243 0.935 20 0 BCADHM Cc1cnc(CSCCc2nnn[n-]2)o1 ZINC000603340158 349917248 /nfs/dbraw/zinc/91/72/48/349917248.db2.gz VAWMQFQEGURBPN-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM Cc1cnc(CSCCc2nn[n-]n2)o1 ZINC000603340158 349917252 /nfs/dbraw/zinc/91/72/52/349917252.db2.gz VAWMQFQEGURBPN-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@H]2COC[C@@H]2C1 ZINC000628138677 344795660 /nfs/dbraw/zinc/79/56/60/344795660.db2.gz MWGFCTLMHXHELN-IUCAKERBSA-N -1 3 249.270 0.291 20 0 BCADHM Cc1nnc([C@@H](C)SCCc2nnn[n-]2)o1 ZINC000603339990 349917769 /nfs/dbraw/zinc/91/77/69/349917769.db2.gz QTRHJUSORQMRCQ-RXMQYKEDSA-N -1 3 240.292 0.928 20 0 BCADHM Cc1nnc([C@@H](C)SCCc2nn[n-]n2)o1 ZINC000603339990 349917771 /nfs/dbraw/zinc/91/77/71/349917771.db2.gz QTRHJUSORQMRCQ-RXMQYKEDSA-N -1 3 240.292 0.928 20 0 BCADHM C[C@H](O)CCSCCc1nnn[n-]1 ZINC000603341744 349919382 /nfs/dbraw/zinc/91/93/82/349919382.db2.gz QVOKPGZKJMXETK-LURJTMIESA-N -1 3 202.283 0.246 20 0 BCADHM C[C@H](O)CCSCCc1nn[n-]n1 ZINC000603341744 349919384 /nfs/dbraw/zinc/91/93/84/349919384.db2.gz QVOKPGZKJMXETK-LURJTMIESA-N -1 3 202.283 0.246 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c1 ZINC000076306682 344801019 /nfs/dbraw/zinc/80/10/19/344801019.db2.gz YYMGNDCGCWBDNI-SECBINFHSA-N -1 3 241.316 0.807 20 0 BCADHM c1nocc1CCSCCc1nnn[n-]1 ZINC000603342089 349920282 /nfs/dbraw/zinc/92/02/82/349920282.db2.gz VXQNYRFVJHZQIZ-UHFFFAOYSA-N -1 3 225.277 0.706 20 0 BCADHM c1nocc1CCSCCc1nn[n-]n1 ZINC000603342089 349920283 /nfs/dbraw/zinc/92/02/83/349920283.db2.gz VXQNYRFVJHZQIZ-UHFFFAOYSA-N -1 3 225.277 0.706 20 0 BCADHM CO[C@@]1(C)CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000408275907 345015907 /nfs/dbraw/zinc/01/59/07/345015907.db2.gz CHEBAOIMPIAALH-NSHDSACASA-N -1 3 240.307 0.109 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1C(=O)Cc1cncc([O-])c1 ZINC000574823557 345038412 /nfs/dbraw/zinc/03/84/12/345038412.db2.gz UNYFFEMMEVMSQZ-LDYMZIIASA-N -1 3 236.271 0.311 20 0 BCADHM Cc1cccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1[O-] ZINC000641573227 362510668 /nfs/dbraw/zinc/51/06/68/362510668.db2.gz ZTBBUAABVGVROZ-ZANVPECISA-N -1 3 233.267 0.907 20 0 BCADHM Cc1nccc(SCCc2nnn[n-]2)n1 ZINC000641637718 362565979 /nfs/dbraw/zinc/56/59/79/362565979.db2.gz PUZZSACUMLAYFR-UHFFFAOYSA-N -1 3 222.277 0.633 20 0 BCADHM Cc1nccc(SCCc2nn[n-]n2)n1 ZINC000641637718 362565986 /nfs/dbraw/zinc/56/59/86/362565986.db2.gz PUZZSACUMLAYFR-UHFFFAOYSA-N -1 3 222.277 0.633 20 0 BCADHM C[C@@H](CN(C)CC(=O)NCC(=O)[O-])C(C)(C)C ZINC000635022016 345224056 /nfs/dbraw/zinc/22/40/56/345224056.db2.gz SIBWUIXGBTVTNA-VIFPVBQESA-N -1 3 244.335 0.801 20 0 BCADHM O=C1CCCC[C@@H]1SCCc1nnn[n-]1 ZINC000603332652 349925686 /nfs/dbraw/zinc/92/56/86/349925686.db2.gz BPMDERKPYJNHIB-QMMMGPOBSA-N -1 3 226.305 0.987 20 0 BCADHM O=C1CCCC[C@@H]1SCCc1nn[n-]n1 ZINC000603332652 349925687 /nfs/dbraw/zinc/92/56/87/349925687.db2.gz BPMDERKPYJNHIB-QMMMGPOBSA-N -1 3 226.305 0.987 20 0 BCADHM CCOCCSCCc1nnn[n-]1 ZINC000603334662 349926574 /nfs/dbraw/zinc/92/65/74/349926574.db2.gz MDWIGJVFHQORSP-UHFFFAOYSA-N -1 3 202.283 0.512 20 0 BCADHM CCOCCSCCc1nn[n-]n1 ZINC000603334662 349926577 /nfs/dbraw/zinc/92/65/77/349926577.db2.gz MDWIGJVFHQORSP-UHFFFAOYSA-N -1 3 202.283 0.512 20 0 BCADHM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCC(=O)[O-] ZINC000574891643 345263552 /nfs/dbraw/zinc/26/35/52/345263552.db2.gz JWSUVXSLDSDPEJ-NGZCFLSTSA-N -1 3 241.287 0.735 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1CCNC(=O)C1 ZINC000151572413 345378506 /nfs/dbraw/zinc/37/85/06/345378506.db2.gz BQIIJZAUCHUPIS-SSDOTTSWSA-N -1 3 235.243 0.252 20 0 BCADHM CC(C)(C)OC(=O)CSCCc1nnn[n-]1 ZINC000603336544 349927421 /nfs/dbraw/zinc/92/74/21/349927421.db2.gz DUJPIJDMOSJYMY-UHFFFAOYSA-N -1 3 244.320 0.817 20 0 BCADHM CC(C)(C)OC(=O)CSCCc1nn[n-]n1 ZINC000603336544 349927424 /nfs/dbraw/zinc/92/74/24/349927424.db2.gz DUJPIJDMOSJYMY-UHFFFAOYSA-N -1 3 244.320 0.817 20 0 BCADHM CCOC(=O)[C@H](CC)SCCc1nnn[n-]1 ZINC000603337094 349927979 /nfs/dbraw/zinc/92/79/79/349927979.db2.gz KPPSWYKVKCFLRJ-ZETCQYMHSA-N -1 3 244.320 0.817 20 0 BCADHM CCOC(=O)[C@H](CC)SCCc1nn[n-]n1 ZINC000603337094 349927984 /nfs/dbraw/zinc/92/79/84/349927984.db2.gz KPPSWYKVKCFLRJ-ZETCQYMHSA-N -1 3 244.320 0.817 20 0 BCADHM CC[C@H](C)NC(=O)CSCCc1nnn[n-]1 ZINC000603338773 349929397 /nfs/dbraw/zinc/92/93/97/349929397.db2.gz WYZNHDRVTUZQGI-ZETCQYMHSA-N -1 3 243.336 0.390 20 0 BCADHM CC[C@H](C)NC(=O)CSCCc1nn[n-]n1 ZINC000603338773 349929399 /nfs/dbraw/zinc/92/93/99/349929399.db2.gz WYZNHDRVTUZQGI-ZETCQYMHSA-N -1 3 243.336 0.390 20 0 BCADHM Cn1cnc(CSCCc2nnn[n-]2)c1 ZINC000603339272 349929422 /nfs/dbraw/zinc/92/94/22/349929422.db2.gz CSMUNFVPOWOMEV-UHFFFAOYSA-N -1 3 224.293 0.409 20 0 BCADHM Cn1cnc(CSCCc2nn[n-]n2)c1 ZINC000603339272 349929424 /nfs/dbraw/zinc/92/94/24/349929424.db2.gz CSMUNFVPOWOMEV-UHFFFAOYSA-N -1 3 224.293 0.409 20 0 BCADHM Cc1nnc([C@H](C)SCCc2nnn[n-]2)[nH]1 ZINC000603339264 349929429 /nfs/dbraw/zinc/92/94/29/349929429.db2.gz CRQFHUYMXGDZKL-YFKPBYRVSA-N -1 3 239.308 0.663 20 0 BCADHM Cc1nnc([C@H](C)SCCc2nn[n-]n2)[nH]1 ZINC000603339264 349929431 /nfs/dbraw/zinc/92/94/31/349929431.db2.gz CRQFHUYMXGDZKL-YFKPBYRVSA-N -1 3 239.308 0.663 20 0 BCADHM C[C@@H](CO)CSCCc1nnn[n-]1 ZINC000603338451 349929572 /nfs/dbraw/zinc/92/95/72/349929572.db2.gz LCDGTPQMCZUQOP-LURJTMIESA-N -1 3 202.283 0.104 20 0 BCADHM C[C@@H](CO)CSCCc1nn[n-]n1 ZINC000603338451 349929573 /nfs/dbraw/zinc/92/95/73/349929573.db2.gz LCDGTPQMCZUQOP-LURJTMIESA-N -1 3 202.283 0.104 20 0 BCADHM Cc1nnsc1CSCCc1nnn[n-]1 ZINC000603339013 349929293 /nfs/dbraw/zinc/92/92/93/349929293.db2.gz AUENDMDNIGYHRF-UHFFFAOYSA-N -1 3 242.333 0.836 20 0 BCADHM Cc1nnsc1CSCCc1nn[n-]n1 ZINC000603339013 349929297 /nfs/dbraw/zinc/92/92/97/349929297.db2.gz AUENDMDNIGYHRF-UHFFFAOYSA-N -1 3 242.333 0.836 20 0 BCADHM CCc1cccc(C(=O)NCC(=O)OC)c1[O-] ZINC000081710610 345485877 /nfs/dbraw/zinc/48/58/77/345485877.db2.gz JCTXEVZMMKYEGM-UHFFFAOYSA-N -1 3 237.255 0.857 20 0 BCADHM Cn1cnc(NC(=O)Cc2cncc([O-])c2)n1 ZINC000622616648 345545447 /nfs/dbraw/zinc/54/54/47/345545447.db2.gz IUIYZGLRTPDVPZ-UHFFFAOYSA-N -1 3 233.231 0.097 20 0 BCADHM O=C(Cc1ccc([O-])cc1Cl)N1CC(O)C1 ZINC000089512300 345560027 /nfs/dbraw/zinc/56/00/27/345560027.db2.gz YXYWCOSUPMBRGE-UHFFFAOYSA-N -1 3 241.674 0.791 20 0 BCADHM C[C@@H]1CC[C@H](C)CN1Cc1n[nH]c(=O)[n-]1 ZINC000091588136 345599430 /nfs/dbraw/zinc/59/94/30/345599430.db2.gz VBIGHTBMCHRATR-JGVFFNPUSA-N -1 3 210.281 0.718 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(c1ncc(F)cn1)C2 ZINC000641686709 362606821 /nfs/dbraw/zinc/60/68/21/362606821.db2.gz AVTHIUYCXFFVDY-UHFFFAOYSA-N -1 3 247.233 0.940 20 0 BCADHM NC(=O)c1cc([N-]S(=O)(=O)C2CC2)cs1 ZINC000641689132 362609028 /nfs/dbraw/zinc/60/90/28/362609028.db2.gz NLHHUEBDSBVQHX-UHFFFAOYSA-N -1 3 246.313 0.751 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)CC1CC1)C(F)F ZINC000641701720 362611134 /nfs/dbraw/zinc/61/11/34/362611134.db2.gz JKRYLYMISGQJDV-RXMQYKEDSA-N -1 3 213.249 0.969 20 0 BCADHM C[C@H]([N-]S(=O)(=O)CCCF)C(F)F ZINC000641701113 362611633 /nfs/dbraw/zinc/61/16/33/362611633.db2.gz DGDQDNHXXOFICP-YFKPBYRVSA-N -1 3 219.228 0.919 20 0 BCADHM O=C1OCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000095233112 345684399 /nfs/dbraw/zinc/68/43/99/345684399.db2.gz YNWMQRFNHAAEMC-UHFFFAOYSA-N -1 3 231.215 0.823 20 0 BCADHM O=C1OCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000095233112 345684400 /nfs/dbraw/zinc/68/44/00/345684400.db2.gz YNWMQRFNHAAEMC-UHFFFAOYSA-N -1 3 231.215 0.823 20 0 BCADHM Cc1cccc2[nH]c(Cc3nnn[n-]3)nc21 ZINC000095214008 345684479 /nfs/dbraw/zinc/68/44/79/345684479.db2.gz YPCCKPBZPKYQDO-UHFFFAOYSA-N -1 3 214.232 0.975 20 0 BCADHM Cc1cccc2[nH]c(Cc3nn[n-]n3)nc21 ZINC000095214008 345684480 /nfs/dbraw/zinc/68/44/80/345684480.db2.gz YPCCKPBZPKYQDO-UHFFFAOYSA-N -1 3 214.232 0.975 20 0 BCADHM c1ccc2c(c1)CCN2CCc1nnn[n-]1 ZINC000095250561 345685235 /nfs/dbraw/zinc/68/52/35/345685235.db2.gz ACKUKOBUMAPXRC-UHFFFAOYSA-N -1 3 215.260 0.805 20 0 BCADHM c1ccc2c(c1)CCN2CCc1nn[n-]n1 ZINC000095250561 345685236 /nfs/dbraw/zinc/68/52/36/345685236.db2.gz ACKUKOBUMAPXRC-UHFFFAOYSA-N -1 3 215.260 0.805 20 0 BCADHM CN(C)C[C@H](CO)NC(=O)c1ccccc1[O-] ZINC000673522084 488293857 /nfs/dbraw/zinc/29/38/57/488293857.db2.gz HWOUSCABYLAGCC-SECBINFHSA-N -1 3 238.287 0.045 20 0 BCADHM C[C@H](C(=O)NCCCc1cc(=O)[nH][n-]1)C1CC1 ZINC000673546038 488295278 /nfs/dbraw/zinc/29/52/78/488295278.db2.gz SFSYHUXXQLXVOC-QMMMGPOBSA-N -1 3 237.303 0.805 20 0 BCADHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1conc1C ZINC000632347817 345954430 /nfs/dbraw/zinc/95/44/30/345954430.db2.gz ZEFSZOUSKXLFEO-HTRCEHHLSA-N -1 3 248.304 0.685 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)N(C)C ZINC000635662252 345945234 /nfs/dbraw/zinc/94/52/34/345945234.db2.gz PNJIZUIMUUJZEQ-ZCFIWIBFSA-N -1 3 240.263 0.085 20 0 BCADHM CCC(CC)CN(CC)CC(=O)NCC(=O)[O-] ZINC000262278426 535019043 /nfs/dbraw/zinc/01/90/43/535019043.db2.gz WHSADOJNCVBKKJ-UHFFFAOYSA-N -1 3 244.335 0.945 20 0 BCADHM C[C@@H](O)C(C)(C)NC(=O)c1cc(F)c[n-]c1=O ZINC000635754012 346050237 /nfs/dbraw/zinc/05/02/37/346050237.db2.gz QLODSKPNHZDEGM-ZCFIWIBFSA-N -1 3 242.250 0.816 20 0 BCADHM CCC(C)(C)[C@@H](O)C(=O)[N-]c1nncn1C ZINC000635802143 346068122 /nfs/dbraw/zinc/06/81/22/346068122.db2.gz OQNZZFRBVWFVLD-ZETCQYMHSA-N -1 3 226.280 0.551 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@]2(C)CCNC2=O)n1 ZINC000635870109 346092386 /nfs/dbraw/zinc/09/23/86/346092386.db2.gz VEAOFSAZCZDSQK-LBPRGKRZSA-N -1 3 249.270 0.560 20 0 BCADHM Cc1cccc(C(=O)N2CCC[C@H]2C(N)=O)c1[O-] ZINC000020295320 179009776 /nfs/dbraw/zinc/00/97/76/179009776.db2.gz QSEBNJDDGCITAK-JTQLQIEISA-N -1 3 248.282 0.791 20 0 BCADHM Cc1cccc(C(=O)N(C)CCC(N)=O)c1[O-] ZINC000286308841 179003830 /nfs/dbraw/zinc/00/38/30/179003830.db2.gz WSXOKCOMAYSMBH-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM Cc1cccc(C(=O)N(C)C[C@H](O)CO)c1[O-] ZINC000273665361 179005858 /nfs/dbraw/zinc/00/58/58/179005858.db2.gz CUMXXMRYURJRPA-VIFPVBQESA-N -1 3 239.271 0.126 20 0 BCADHM Cc1cccc(C(=O)NC[C@H](C)O)c1[O-] ZINC000035107722 179018809 /nfs/dbraw/zinc/01/88/09/179018809.db2.gz PUVUQCZUBNFSGT-QMMMGPOBSA-N -1 3 209.245 0.811 20 0 BCADHM C[C@H]1OCC[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000332930524 537967095 /nfs/dbraw/zinc/96/70/95/537967095.db2.gz CXMZGSYEWRMAII-RITPCOANSA-N -1 3 228.273 0.756 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1(C)COC1)C2 ZINC000636285264 346377341 /nfs/dbraw/zinc/37/73/41/346377341.db2.gz GJIUOTYOYOWYLT-UHFFFAOYSA-N -1 3 249.270 0.369 20 0 BCADHM O=C(NC1COC1)c1cc(F)c[n-]c1=O ZINC000636313416 346389816 /nfs/dbraw/zinc/38/98/16/346389816.db2.gz CGPWXDLHLZFXOQ-UHFFFAOYSA-N -1 3 212.180 0.055 20 0 BCADHM CCOC[C@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000563411251 323124556 /nfs/dbraw/zinc/12/45/56/323124556.db2.gz AZWVJCVSERYOTN-VIFPVBQESA-N -1 3 238.287 0.871 20 0 BCADHM CCOC(=O)c1c([N-]S(C)(=O)=O)ccn1C ZINC000603419453 349964589 /nfs/dbraw/zinc/96/45/89/349964589.db2.gz YMLRQOKGQNTWMF-UHFFFAOYSA-N -1 3 246.288 0.573 20 0 BCADHM C[C@@H](C1CC1)n1cc([N-]S(N)(=O)=O)cn1 ZINC000186763214 346534658 /nfs/dbraw/zinc/53/46/58/346534658.db2.gz MWZLXZHIFKCHAX-LURJTMIESA-N -1 3 230.293 0.470 20 0 BCADHM COc1nc(NC(=O)CC2(C)CC2)n[n-]1 ZINC000401263823 346537785 /nfs/dbraw/zinc/53/77/85/346537785.db2.gz HFSDGRXQSHZFPA-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1nnc(NC(=O)CC2(C)CC2)[n-]1 ZINC000401263823 346537787 /nfs/dbraw/zinc/53/77/87/346537787.db2.gz HFSDGRXQSHZFPA-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1n[n-]c(NC(=O)CC2(C)CC2)n1 ZINC000401263823 346537791 /nfs/dbraw/zinc/53/77/91/346537791.db2.gz HFSDGRXQSHZFPA-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COC[C@H](C)CNC(=O)c1cccc2nn[n-]c21 ZINC000187495383 346581546 /nfs/dbraw/zinc/58/15/46/346581546.db2.gz VNNIKHLBTUSREQ-MRVPVSSYSA-N -1 3 248.286 0.970 20 0 BCADHM COC[C@H](C)CNC(=O)c1cccc2[n-]nnc21 ZINC000187495383 346581549 /nfs/dbraw/zinc/58/15/49/346581549.db2.gz VNNIKHLBTUSREQ-MRVPVSSYSA-N -1 3 248.286 0.970 20 0 BCADHM COC[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC000187495383 346581552 /nfs/dbraw/zinc/58/15/52/346581552.db2.gz VNNIKHLBTUSREQ-MRVPVSSYSA-N -1 3 248.286 0.970 20 0 BCADHM CC[C@@H](O)CCNC(=O)c1ccc(O)cc1[O-] ZINC000166985120 346695443 /nfs/dbraw/zinc/69/54/43/346695443.db2.gz FRAHXJICYNJVRI-MRVPVSSYSA-N -1 3 239.271 0.989 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H]1O ZINC000387841718 347110595 /nfs/dbraw/zinc/11/05/95/347110595.db2.gz GFSHUWMABMKAMU-RDDDGLTNSA-N -1 3 237.255 0.551 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)NC(N)=O ZINC000352684443 179160773 /nfs/dbraw/zinc/16/07/73/179160773.db2.gz MDIWYXBAGIUIIZ-SSDOTTSWSA-N -1 3 237.259 0.696 20 0 BCADHM CCCCCS(=O)(=O)[N-]CC(=O)OC ZINC000184159971 347152000 /nfs/dbraw/zinc/15/20/00/347152000.db2.gz VPJMWWSPDHBVIV-UHFFFAOYSA-N -1 3 223.294 0.269 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)C1(C(C)C)CC1 ZINC000601343158 347236420 /nfs/dbraw/zinc/23/64/20/347236420.db2.gz KNCHJJGLTMUGPK-UHFFFAOYSA-N -1 3 249.332 0.658 20 0 BCADHM O=S(=O)([N-]CC1(CCO)CC1)c1ccco1 ZINC000188867469 347291626 /nfs/dbraw/zinc/29/16/26/347291626.db2.gz BMRGGYMTTIJBRH-UHFFFAOYSA-N -1 3 245.300 0.721 20 0 BCADHM CC(C)(C)OC[C@H](O)CN1CCC[C@@H]1C(=O)[O-] ZINC000571337728 323141787 /nfs/dbraw/zinc/14/17/87/323141787.db2.gz RUPMETFLAXBYSQ-NXEZZACHSA-N -1 3 245.319 0.711 20 0 BCADHM CC(C)c1nc(S(=O)(=O)[N-]CCF)c[nH]1 ZINC000684765565 488340574 /nfs/dbraw/zinc/34/05/74/488340574.db2.gz VXJZAQUGIOSNDJ-UHFFFAOYSA-N -1 3 235.284 0.781 20 0 BCADHM O=C(c1ccccc1[O-])N1CCC[C@@H](O)C1 ZINC000035103318 358452895 /nfs/dbraw/zinc/45/28/95/358452895.db2.gz HCBMUDYLJUTTHA-SECBINFHSA-N -1 3 221.256 0.989 20 0 BCADHM CC[C@H](C)N(CC)C(=O)CN1CC(=O)[N-]C1=O ZINC000616981988 347564011 /nfs/dbraw/zinc/56/40/11/347564011.db2.gz NEZSSRQZKNUVLC-QMMMGPOBSA-N -1 3 241.291 0.185 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H](O)C1 ZINC000577260162 365905836 /nfs/dbraw/zinc/90/58/36/365905836.db2.gz BGFPNBWDZYVYNO-QMMMGPOBSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H](O)C1 ZINC000577260162 365905841 /nfs/dbraw/zinc/90/58/41/365905841.db2.gz BGFPNBWDZYVYNO-QMMMGPOBSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H](O)C1 ZINC000577260162 365905848 /nfs/dbraw/zinc/90/58/48/365905848.db2.gz BGFPNBWDZYVYNO-QMMMGPOBSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(NC[C@H](O)C1CC1)c1cccc2nn[n-]c21 ZINC000580692680 365908944 /nfs/dbraw/zinc/90/89/44/365908944.db2.gz NBINBJUYDWQLDB-JTQLQIEISA-N -1 3 246.270 0.459 20 0 BCADHM O=C(NC[C@H](O)C1CC1)c1cccc2[n-]nnc21 ZINC000580692680 365908953 /nfs/dbraw/zinc/90/89/53/365908953.db2.gz NBINBJUYDWQLDB-JTQLQIEISA-N -1 3 246.270 0.459 20 0 BCADHM O=C(NC[C@H](O)C1CC1)c1cccc2n[n-]nc21 ZINC000580692680 365908961 /nfs/dbraw/zinc/90/89/61/365908961.db2.gz NBINBJUYDWQLDB-JTQLQIEISA-N -1 3 246.270 0.459 20 0 BCADHM CC[C@H]([N-]S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000592101393 347733962 /nfs/dbraw/zinc/73/39/62/347733962.db2.gz RNEBHJITUXXKRL-ZETCQYMHSA-N -1 3 237.321 0.656 20 0 BCADHM CC1(CN2CCO[C@H](C(=O)[O-])C2)CCC1 ZINC000307373036 323178653 /nfs/dbraw/zinc/17/86/53/323178653.db2.gz VWLSEGBZZCCJNO-VIFPVBQESA-N -1 3 213.277 0.962 20 0 BCADHM COC(=O)CNC(=O)c1ccccc1[O-] ZINC000005997032 362920237 /nfs/dbraw/zinc/92/02/37/362920237.db2.gz PXFSDQXXIDCRPA-UHFFFAOYSA-N -1 3 209.201 0.295 20 0 BCADHM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)[C@@H](C)[C@H]1C ZINC000419376453 192132327 /nfs/dbraw/zinc/13/23/27/192132327.db2.gz SZGKONYLPXQFAS-VGMNWLOBSA-N -1 3 224.308 0.585 20 0 BCADHM C[C@@]1(O)C[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000420168199 192166681 /nfs/dbraw/zinc/16/66/81/192166681.db2.gz KTRQAWRSOMMPMI-OGXFKERWSA-N -1 3 237.255 0.741 20 0 BCADHM CNC(=O)CN(C)C(=O)c1c(C)cccc1[O-] ZINC000623507445 362931516 /nfs/dbraw/zinc/93/15/16/362931516.db2.gz KGEYILORZSBIKJ-UHFFFAOYSA-N -1 3 236.271 0.519 20 0 BCADHM COC(=O)CN(C)C(=O)c1c(C)cccc1[O-] ZINC000599009396 349076082 /nfs/dbraw/zinc/07/60/82/349076082.db2.gz KOFLQSQDQAOYDA-UHFFFAOYSA-N -1 3 237.255 0.946 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2c[n-]nn2)C[C@H](C)O1 ZINC000245578598 349083092 /nfs/dbraw/zinc/08/30/92/349083092.db2.gz IFOADRAJDGEQKF-RNLVFQAGSA-N -1 3 224.264 0.491 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cnn[n-]2)C[C@H](C)O1 ZINC000245578598 349083095 /nfs/dbraw/zinc/08/30/95/349083095.db2.gz IFOADRAJDGEQKF-RNLVFQAGSA-N -1 3 224.264 0.491 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)C[C@H](C)O1 ZINC000245578598 349083099 /nfs/dbraw/zinc/08/30/99/349083099.db2.gz IFOADRAJDGEQKF-RNLVFQAGSA-N -1 3 224.264 0.491 20 0 BCADHM CCOC(=O)CNC(=O)c1c(C)cccc1[O-] ZINC000599100353 349094149 /nfs/dbraw/zinc/09/41/49/349094149.db2.gz CFEYHUIOLNRULF-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM C[C@H](NC1CC1)C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000383579043 349062817 /nfs/dbraw/zinc/06/28/17/349062817.db2.gz VQNAGGGMQJLUDO-YUMQZZPRSA-N -1 3 240.303 0.591 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000599682172 349243617 /nfs/dbraw/zinc/24/36/17/349243617.db2.gz PWWHISFDJAOHDN-MRVPVSSYSA-N -1 3 237.255 0.992 20 0 BCADHM CSC1(CNC(=O)c2cc(=O)[n-]cn2)CC1 ZINC000599847755 349263672 /nfs/dbraw/zinc/26/36/72/349263672.db2.gz ZXKXVSUPHLFQFI-UHFFFAOYSA-N -1 3 239.300 0.808 20 0 BCADHM CC1(C)C[C@H](NC(=O)c2c[n-]nn2)CO1 ZINC000396660151 349413670 /nfs/dbraw/zinc/41/36/70/349413670.db2.gz ORBJIZUVWLCASK-LURJTMIESA-N -1 3 210.237 0.102 20 0 BCADHM CC1(C)C[C@H](NC(=O)c2cnn[n-]2)CO1 ZINC000396660151 349413673 /nfs/dbraw/zinc/41/36/73/349413673.db2.gz ORBJIZUVWLCASK-LURJTMIESA-N -1 3 210.237 0.102 20 0 BCADHM CC1(C)C[C@H](NC(=O)c2cn[n-]n2)CO1 ZINC000396660151 349413676 /nfs/dbraw/zinc/41/36/76/349413676.db2.gz ORBJIZUVWLCASK-LURJTMIESA-N -1 3 210.237 0.102 20 0 BCADHM CCCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000603808376 350036840 /nfs/dbraw/zinc/03/68/40/350036840.db2.gz PGFGPLFGOITXTD-VIFPVBQESA-N -1 3 225.292 0.805 20 0 BCADHM Cc1cc(C(=O)[N-]c2n[nH]c(C)n2)no1 ZINC000103253876 180014744 /nfs/dbraw/zinc/01/47/44/180014744.db2.gz FAHSLTLPKQCHMA-UHFFFAOYSA-N -1 3 207.193 0.662 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC(C)(C)O ZINC000280381359 180026205 /nfs/dbraw/zinc/02/62/05/180026205.db2.gz MQBMLSAVSAPEOU-UHFFFAOYSA-N -1 3 241.247 0.296 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)COC(F)F ZINC000354011828 180026951 /nfs/dbraw/zinc/02/69/51/180026951.db2.gz VWGCWTOEBJLGDO-UHFFFAOYSA-N -1 3 249.173 0.374 20 0 BCADHM CN(CCNc1ncncc1C(=O)[O-])C1CC1 ZINC000304185844 350148040 /nfs/dbraw/zinc/14/80/40/350148040.db2.gz YQMYNGOCAQZFEC-UHFFFAOYSA-N -1 3 236.275 0.681 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cnc[nH]1 ZINC000427156632 191055458 /nfs/dbraw/zinc/05/54/58/191055458.db2.gz AZDDUGSXEXHJFK-UHFFFAOYSA-N -1 3 235.203 0.172 20 0 BCADHM Cc1cnc(CNCc2cnc(C)[n-]c2=O)n1C ZINC000341261471 180155371 /nfs/dbraw/zinc/15/53/71/180155371.db2.gz POFWPYBECUXVJC-UHFFFAOYSA-N -1 3 247.302 0.822 20 0 BCADHM CCN(Cc1nc(=O)n(C)[n-]1)[C@@H](C)C(C)C ZINC000347396153 490392674 /nfs/dbraw/zinc/39/26/74/490392674.db2.gz FGIMSUSEVRRROR-VIFPVBQESA-N -1 3 226.324 0.975 20 0 BCADHM Cc1nccn1CCCNC(=O)c1c[n-]nn1 ZINC000048941437 180243093 /nfs/dbraw/zinc/24/30/93/180243093.db2.gz XDONTHCZKSCKRF-UHFFFAOYSA-N -1 3 234.263 0.130 20 0 BCADHM Cc1nccn1CCCNC(=O)c1cnn[n-]1 ZINC000048941437 180243095 /nfs/dbraw/zinc/24/30/95/180243095.db2.gz XDONTHCZKSCKRF-UHFFFAOYSA-N -1 3 234.263 0.130 20 0 BCADHM Cc1nccn1CCCNC(=O)c1cn[n-]n1 ZINC000048941437 180243097 /nfs/dbraw/zinc/24/30/97/180243097.db2.gz XDONTHCZKSCKRF-UHFFFAOYSA-N -1 3 234.263 0.130 20 0 BCADHM COc1ccc(C(=O)[N-]c2cnoc2)nn1 ZINC000606187065 350284994 /nfs/dbraw/zinc/28/49/94/350284994.db2.gz VZJJYWFORCPLJX-UHFFFAOYSA-N -1 3 220.188 0.726 20 0 BCADHM C[C@H](CC(=O)[O-])NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000427718363 191090164 /nfs/dbraw/zinc/09/01/64/191090164.db2.gz MBWUPXFDOLSTHL-UTLUCORTSA-N -1 3 242.319 0.839 20 0 BCADHM Cc1ncsc1NC(=O)c1nc[n-]n1 ZINC000358587531 180325123 /nfs/dbraw/zinc/32/51/23/180325123.db2.gz KPBAICYZTVNXKE-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM CC(=O)N1CC[C@@H](NCc2nc(C)ccc2[O-])C1 ZINC000152863606 362968229 /nfs/dbraw/zinc/96/82/29/362968229.db2.gz IJUGRBBKZICHBR-LLVKDONJSA-N -1 3 249.314 0.806 20 0 BCADHM Fc1cc(-c2nnn[n-]2)ccc1N1CCOCC1 ZINC000095219069 350656579 /nfs/dbraw/zinc/65/65/79/350656579.db2.gz AJSODHMHJSIEFC-UHFFFAOYSA-N -1 3 249.249 0.842 20 0 BCADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCOCC1 ZINC000095219069 350656581 /nfs/dbraw/zinc/65/65/81/350656581.db2.gz AJSODHMHJSIEFC-UHFFFAOYSA-N -1 3 249.249 0.842 20 0 BCADHM CC[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@@H]1O ZINC000626293350 350899355 /nfs/dbraw/zinc/89/93/55/350899355.db2.gz ADJUTVFHVMYLBG-APPZFPTMSA-N -1 3 237.259 0.025 20 0 BCADHM CC[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@@H]1O ZINC000626293351 350899430 /nfs/dbraw/zinc/89/94/30/350899430.db2.gz ADJUTVFHVMYLBG-CBAPKCEASA-N -1 3 237.259 0.025 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]C1CCCC1 ZINC000631642087 351373529 /nfs/dbraw/zinc/37/35/29/351373529.db2.gz IESVRAKETCBVGG-UHFFFAOYSA-N -1 3 230.293 0.036 20 0 BCADHM Cc1cc(CNC2(C(=O)[O-])CCC2)n(C)n1 ZINC000088049797 351531742 /nfs/dbraw/zinc/53/17/42/351531742.db2.gz QFLBVWIHHWICTE-UHFFFAOYSA-N -1 3 223.276 0.825 20 0 BCADHM O=C(NC[C@@H]1CCC[C@H](O)C1)c1c[n-]nn1 ZINC000122627333 191138641 /nfs/dbraw/zinc/13/86/41/191138641.db2.gz HZOMPDWQJRKIHK-SFYZADRCSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@@H]1CCC[C@H](O)C1)c1cnn[n-]1 ZINC000122627333 191138644 /nfs/dbraw/zinc/13/86/44/191138644.db2.gz HZOMPDWQJRKIHK-SFYZADRCSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@@H]1CCC[C@H](O)C1)c1cn[n-]n1 ZINC000122627333 191138646 /nfs/dbraw/zinc/13/86/46/191138646.db2.gz HZOMPDWQJRKIHK-SFYZADRCSA-N -1 3 224.264 0.086 20 0 BCADHM CCN1CC(=O)N[C@H]1c1nc(C)ccc1[O-] ZINC000276384527 351619106 /nfs/dbraw/zinc/61/91/06/351619106.db2.gz FCUJELUNRQUKPN-LLVKDONJSA-N -1 3 221.260 0.546 20 0 BCADHM COc1nc(NC(=O)CCC(C)(C)O)n[n-]1 ZINC000577829717 366075157 /nfs/dbraw/zinc/07/51/57/366075157.db2.gz ZUKJVDJSDSJKIH-UHFFFAOYSA-N -1 3 228.252 0.303 20 0 BCADHM COc1nnc(NC(=O)CCC(C)(C)O)[n-]1 ZINC000577829717 366075161 /nfs/dbraw/zinc/07/51/61/366075161.db2.gz ZUKJVDJSDSJKIH-UHFFFAOYSA-N -1 3 228.252 0.303 20 0 BCADHM COc1n[n-]c(NC(=O)CCC(C)(C)O)n1 ZINC000577829717 366075165 /nfs/dbraw/zinc/07/51/65/366075165.db2.gz ZUKJVDJSDSJKIH-UHFFFAOYSA-N -1 3 228.252 0.303 20 0 BCADHM O=C(Nc1[n-]nnc1C(=O)NC1CC1)C1=CCC1 ZINC000411104573 191157929 /nfs/dbraw/zinc/15/79/29/191157929.db2.gz MHLZRPVLLQSHTJ-UHFFFAOYSA-N -1 3 247.258 0.356 20 0 BCADHM O=C(Nc1nn[n-]c1C(=O)NC1CC1)C1=CCC1 ZINC000411104573 191157931 /nfs/dbraw/zinc/15/79/31/191157931.db2.gz MHLZRPVLLQSHTJ-UHFFFAOYSA-N -1 3 247.258 0.356 20 0 BCADHM O=C(Nc1n[n-]nc1C(=O)NC1CC1)C1=CCC1 ZINC000411104573 191157933 /nfs/dbraw/zinc/15/79/33/191157933.db2.gz MHLZRPVLLQSHTJ-UHFFFAOYSA-N -1 3 247.258 0.356 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000021927510 180770237 /nfs/dbraw/zinc/77/02/37/180770237.db2.gz NJZASUVUUADXQI-UHFFFAOYSA-N -1 3 217.294 0.497 20 0 BCADHM Cn1cnnc1[N-]C(=O)C(=O)c1ccccc1 ZINC000194585781 180794733 /nfs/dbraw/zinc/79/47/33/180794733.db2.gz KONPEPPARRUKKP-UHFFFAOYSA-N -1 3 230.227 0.637 20 0 BCADHM CC(C)[C@H](CO)CN=c1ncnc2[nH][n-]cc1-2 ZINC000342899166 352913254 /nfs/dbraw/zinc/91/32/54/352913254.db2.gz AARWONRHWJIKRF-QMMMGPOBSA-N -1 3 235.291 0.403 20 0 BCADHM Cn1[n-]c(CN2CCCCCC2)nc1=O ZINC000334371989 353023745 /nfs/dbraw/zinc/02/37/45/353023745.db2.gz YAFCTZDFASJOFS-UHFFFAOYSA-N -1 3 210.281 0.484 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCOCC2(CC2)C1 ZINC000626419961 353045018 /nfs/dbraw/zinc/04/50/18/353045018.db2.gz BBDDMHLMYSPNGJ-UHFFFAOYSA-N -1 3 249.270 0.435 20 0 BCADHM O=C(NC[C@@H]1CCC[C@@H](CO)C1)c1c[n-]nn1 ZINC000310415497 188001578 /nfs/dbraw/zinc/00/15/78/188001578.db2.gz XTMWKTUHINZUIO-RKDXNWHRSA-N -1 3 238.291 0.333 20 0 BCADHM O=C(NC[C@@H]1CCC[C@@H](CO)C1)c1cnn[n-]1 ZINC000310415497 188001580 /nfs/dbraw/zinc/00/15/80/188001580.db2.gz XTMWKTUHINZUIO-RKDXNWHRSA-N -1 3 238.291 0.333 20 0 BCADHM O=C(NC[C@@H]1CCC[C@@H](CO)C1)c1cn[n-]n1 ZINC000310415497 188001582 /nfs/dbraw/zinc/00/15/82/188001582.db2.gz XTMWKTUHINZUIO-RKDXNWHRSA-N -1 3 238.291 0.333 20 0 BCADHM C[C@@H](O)C[C@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626421979 353106259 /nfs/dbraw/zinc/10/62/59/353106259.db2.gz QSQXSTLPHPGPHZ-NKWVEPMBSA-N -1 3 225.248 0.071 20 0 BCADHM CNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269064194 188024313 /nfs/dbraw/zinc/02/43/13/188024313.db2.gz CEORSHVUYNCINE-GFCCVEGCSA-N -1 3 247.254 0.101 20 0 BCADHM CC(C)(O)CON=C([O-])Nc1ccncc1 ZINC000278691257 188031074 /nfs/dbraw/zinc/03/10/74/188031074.db2.gz ZJEWARJWVVNTAI-UHFFFAOYSA-N -1 3 225.248 0.906 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Nc1ccncc1 ZINC000278691257 188031076 /nfs/dbraw/zinc/03/10/76/188031076.db2.gz ZJEWARJWVVNTAI-UHFFFAOYSA-N -1 3 225.248 0.906 20 0 BCADHM CC(C)[C@H](O)CNc1nc2nncc-2c(O)[n-]1 ZINC000290746937 188036293 /nfs/dbraw/zinc/03/62/93/188036293.db2.gz IEKIOMGNLMSHBB-SSDOTTSWSA-N -1 3 237.263 0.487 20 0 BCADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000352478833 188056101 /nfs/dbraw/zinc/05/61/01/188056101.db2.gz AWJKQGVNEJVDGD-SECBINFHSA-N -1 3 245.348 0.991 20 0 BCADHM O=c1[n-]c(CN2CCc3ccccc3CC2)n[nH]1 ZINC000092618726 538109368 /nfs/dbraw/zinc/10/93/68/538109368.db2.gz YFLKOJYNJGQFQX-UHFFFAOYSA-N -1 3 244.298 0.699 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H](O)C1CC1 ZINC000613427053 363211707 /nfs/dbraw/zinc/21/17/07/363211707.db2.gz NANMQADBEBOWJQ-MRVPVSSYSA-N -1 3 208.217 0.497 20 0 BCADHM O=c1[n-]nc(CN2CCOCC23CCC3)s1 ZINC000373745340 188249598 /nfs/dbraw/zinc/24/95/98/188249598.db2.gz IVGYMUGRGOKMFR-UHFFFAOYSA-N -1 3 241.316 0.999 20 0 BCADHM CNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000045163738 188297876 /nfs/dbraw/zinc/29/78/76/188297876.db2.gz WGLYNSIHRDLQGX-UHFFFAOYSA-N -1 3 248.329 0.163 20 0 BCADHM CC(C)(NC(=O)c1ccccc1[O-])C(N)=O ZINC000045109993 188297943 /nfs/dbraw/zinc/29/79/43/188297943.db2.gz QJSNDWFZYAGPJS-UHFFFAOYSA-N -1 3 222.244 0.386 20 0 BCADHM COCC(=O)Nc1ccc(OC)cc1[O-] ZINC000135423323 538115432 /nfs/dbraw/zinc/11/54/32/538115432.db2.gz GJOORTFTLWVJCF-UHFFFAOYSA-N -1 3 211.217 0.986 20 0 BCADHM CC(C)(O)CCn1cc(Cl)c(=O)[n-]c1=O ZINC000086234583 188317630 /nfs/dbraw/zinc/31/76/30/188317630.db2.gz LXJFBWYHIKVFMH-UHFFFAOYSA-N -1 3 232.667 0.351 20 0 BCADHM CC(=O)[C@H](C)CCCCC(=O)[N-]OCC(N)=O ZINC000089463654 188318384 /nfs/dbraw/zinc/31/83/84/188318384.db2.gz QTFKMHJKXZKRIP-MRVPVSSYSA-N -1 3 244.291 0.305 20 0 BCADHM CC(C)[C@H](O)C(=O)[N-]c1nncn1C1CC1 ZINC000291585641 188390383 /nfs/dbraw/zinc/39/03/83/188390383.db2.gz GWFANHNNNJENKN-QMMMGPOBSA-N -1 3 224.264 0.568 20 0 BCADHM CC(=O)NC1CN(Cc2nc(C)ccc2[O-])C1 ZINC000291413357 188390766 /nfs/dbraw/zinc/39/07/66/188390766.db2.gz GTRUBVBGFGXOCT-UHFFFAOYSA-N -1 3 235.287 0.416 20 0 BCADHM CCOc1ccncc1S(=O)(=O)[N-]C ZINC000294909339 188393818 /nfs/dbraw/zinc/39/38/18/188393818.db2.gz BHZQBKNSDWCRPT-UHFFFAOYSA-N -1 3 216.262 0.388 20 0 BCADHM CSC1(CNC(=O)c2c[n-]nn2)CC1 ZINC000194658141 353680672 /nfs/dbraw/zinc/68/06/72/353680672.db2.gz SKOTUWBQVYZYCI-UHFFFAOYSA-N -1 3 212.278 0.430 20 0 BCADHM CSC1(CNC(=O)c2cnn[n-]2)CC1 ZINC000194658141 353680674 /nfs/dbraw/zinc/68/06/74/353680674.db2.gz SKOTUWBQVYZYCI-UHFFFAOYSA-N -1 3 212.278 0.430 20 0 BCADHM CSC1(CNC(=O)c2cn[n-]n2)CC1 ZINC000194658141 353680677 /nfs/dbraw/zinc/68/06/77/353680677.db2.gz SKOTUWBQVYZYCI-UHFFFAOYSA-N -1 3 212.278 0.430 20 0 BCADHM CC(C)O[N-]C(=O)/C=C\c1ccnn1C ZINC000379139892 353700840 /nfs/dbraw/zinc/70/08/40/353700840.db2.gz FHLTVGUEAWNQQS-PLNGDYQASA-N -1 3 209.249 0.890 20 0 BCADHM COCc1nc(SCC(=O)OC)n[n-]1 ZINC000353826341 353824628 /nfs/dbraw/zinc/82/46/28/353824628.db2.gz LZRXEAMCKMLSMO-UHFFFAOYSA-N -1 3 217.250 0.216 20 0 BCADHM CCC[C@@H](NC(=O)c1csc(=O)[n-]1)C(N)=O ZINC000343455036 353894406 /nfs/dbraw/zinc/89/44/06/353894406.db2.gz PPWLTUJBKQQCEN-RXMQYKEDSA-N -1 3 243.288 0.233 20 0 BCADHM C[C@H]1CCCCCN1Cc1nc(=O)n(C)[n-]1 ZINC000334585205 354208718 /nfs/dbraw/zinc/20/87/18/354208718.db2.gz AZNYJKDBQYELAA-VIFPVBQESA-N -1 3 224.308 0.873 20 0 BCADHM O=C(CCCc1ccc([O-])c(F)c1)NCCO ZINC000344727903 354345766 /nfs/dbraw/zinc/34/57/66/354345766.db2.gz DVVCBCXKVGVLCN-UHFFFAOYSA-N -1 3 241.262 0.963 20 0 BCADHM C[C@H](CN(C)C)[N-]S(=O)(=O)c1cccs1 ZINC000344923758 354387331 /nfs/dbraw/zinc/38/73/31/354387331.db2.gz UXPZUYGZMJUJKF-MRVPVSSYSA-N -1 3 248.373 0.977 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)O)o1 ZINC000334674320 354416599 /nfs/dbraw/zinc/41/65/99/354416599.db2.gz QAJCHWPMIBMCBT-LURJTMIESA-N -1 3 219.262 0.247 20 0 BCADHM CCCN(C)CC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000578070128 366218111 /nfs/dbraw/zinc/21/81/11/366218111.db2.gz IHGUNZVIFDOVBK-SECBINFHSA-N -1 3 230.308 0.507 20 0 BCADHM CC(C)N1CC(NC(=O)c2csc(=O)[n-]2)C1 ZINC000334743037 354545867 /nfs/dbraw/zinc/54/58/67/354545867.db2.gz VKZCWCLDSCBBEF-UHFFFAOYSA-N -1 3 241.316 0.671 20 0 BCADHM Cc1nc(C)c(CC(=O)NC[C@H]2C[C@H]2C)c(=O)[n-]1 ZINC000032746718 354543728 /nfs/dbraw/zinc/54/37/28/354543728.db2.gz GQSIIAALBDMCIK-GMSGAONNSA-N -1 3 249.314 0.701 20 0 BCADHM Cc1csc(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)c1 ZINC000335087034 354621909 /nfs/dbraw/zinc/62/19/09/354621909.db2.gz KDXRWWWTEPZEII-HTQZYQBOSA-N -1 3 247.341 0.858 20 0 BCADHM C[C@@H]1NCCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC000379449749 358488497 /nfs/dbraw/zinc/48/84/97/358488497.db2.gz HNMHWEFTIZAFQR-IUCAKERBSA-N -1 3 235.287 0.610 20 0 BCADHM C[C@H]1NCCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC000379449747 358488523 /nfs/dbraw/zinc/48/85/23/358488523.db2.gz HNMHWEFTIZAFQR-BDAKNGLRSA-N -1 3 235.287 0.610 20 0 BCADHM OCC1CCC(N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000345695583 354733651 /nfs/dbraw/zinc/73/36/51/354733651.db2.gz TVSXJMPENGOVRX-UHFFFAOYSA-N -1 3 247.302 0.689 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)CC(C)C)CC1 ZINC000345492576 354679566 /nfs/dbraw/zinc/67/95/66/354679566.db2.gz QTONSNNRBOVFMV-UHFFFAOYSA-N -1 3 235.305 0.267 20 0 BCADHM C[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000335137466 354787733 /nfs/dbraw/zinc/78/77/33/354787733.db2.gz GSFIXXUXIQRWHI-UHFFFAOYSA-N -1 3 217.294 0.452 20 0 BCADHM CCC[C@@](C)(NCc1cn(C)nn1)C(=O)[O-] ZINC000233317023 363399653 /nfs/dbraw/zinc/39/96/53/363399653.db2.gz MCMNTCVAYWCUOS-SNVBAGLBSA-N -1 3 226.280 0.548 20 0 BCADHM Cc1ccc(O)c(NC(=O)c2cnn[n-]2)n1 ZINC000345923506 354808266 /nfs/dbraw/zinc/80/82/66/354808266.db2.gz HZCICONWFGWALL-UHFFFAOYSA-N -1 3 219.204 0.466 20 0 BCADHM Cc1ccc(O)c(NC(=O)c2c[n-]nn2)n1 ZINC000345923506 354808268 /nfs/dbraw/zinc/80/82/68/354808268.db2.gz HZCICONWFGWALL-UHFFFAOYSA-N -1 3 219.204 0.466 20 0 BCADHM Cc1ccc([O-])c(NC(=O)c2nc[nH]n2)n1 ZINC000345946850 354816727 /nfs/dbraw/zinc/81/67/27/354816727.db2.gz UOEBWJGSKKPGTA-UHFFFAOYSA-N -1 3 219.204 0.466 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)c2cc[nH]c2)[n-]1 ZINC000346249658 354879608 /nfs/dbraw/zinc/87/96/08/354879608.db2.gz IXLGAALUTFHEDW-UHFFFAOYSA-N -1 3 249.230 0.101 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)c2cc[nH]c2)n1 ZINC000346249658 354879611 /nfs/dbraw/zinc/87/96/11/354879611.db2.gz IXLGAALUTFHEDW-UHFFFAOYSA-N -1 3 249.230 0.101 20 0 BCADHM COC(=O)Cc1nc(NC(=O)c2cc[nH]c2)n[n-]1 ZINC000346249658 354879614 /nfs/dbraw/zinc/87/96/14/354879614.db2.gz IXLGAALUTFHEDW-UHFFFAOYSA-N -1 3 249.230 0.101 20 0 BCADHM C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000335140495 354844381 /nfs/dbraw/zinc/84/43/81/354844381.db2.gz SRONCUYDKWWMBY-SSDOTTSWSA-N -1 3 229.305 0.689 20 0 BCADHM Cc1ccc(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)o1 ZINC000335178365 354949030 /nfs/dbraw/zinc/94/90/30/354949030.db2.gz LAYLBQGAAKDSMV-SNVBAGLBSA-N -1 3 249.270 0.324 20 0 BCADHM Cc1ccc(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)o1 ZINC000335178362 354949510 /nfs/dbraw/zinc/94/95/10/354949510.db2.gz LAYLBQGAAKDSMV-JTQLQIEISA-N -1 3 249.270 0.324 20 0 BCADHM C[C@@H]1C[C@@H](CN=c2ncnc3[nH][n-]cc2-3)[C@@H](C)O1 ZINC000413526012 191392987 /nfs/dbraw/zinc/39/29/87/191392987.db2.gz AXTRCDCHUUYSOD-HLTSFMKQSA-N -1 3 247.302 0.952 20 0 BCADHM O=C(NCc1ncccc1[O-])N[C@@H]1CCOC1 ZINC000349734368 355425833 /nfs/dbraw/zinc/42/58/33/355425833.db2.gz LSDNPOJVKBJMCU-MRVPVSSYSA-N -1 3 237.259 0.375 20 0 BCADHM Cc1ccc(C(=O)N(C)[C@H]2CCNC2=O)c([O-])c1 ZINC000335814607 355503563 /nfs/dbraw/zinc/50/35/63/355503563.db2.gz MGHCERPTVBPOGA-JTQLQIEISA-N -1 3 248.282 0.661 20 0 BCADHM Cc1ccc(C(=O)N(C)[C@@H]2CCNC2=O)c([O-])c1 ZINC000335814608 355503730 /nfs/dbraw/zinc/50/37/30/355503730.db2.gz MGHCERPTVBPOGA-SNVBAGLBSA-N -1 3 248.282 0.661 20 0 BCADHM O=C(c1ccccc1[O-])N1CC(CCO)C1 ZINC000335870317 355636162 /nfs/dbraw/zinc/63/61/62/355636162.db2.gz JXFLOAHWLLNEGU-UHFFFAOYSA-N -1 3 221.256 0.847 20 0 BCADHM Cn1ncnc1C[S@@](=O)c1cccc([O-])c1 ZINC000350511375 355715060 /nfs/dbraw/zinc/71/50/60/355715060.db2.gz OHROILATVJMQGU-MRXNPFEDSA-N -1 3 237.284 0.829 20 0 BCADHM C[C@H](C(=O)[O-])N(C(=O)[C@@H](N)C1CCC1)C1CC1 ZINC000399155133 355771340 /nfs/dbraw/zinc/77/13/40/355771340.db2.gz COANNLANUFNYRM-XCBNKYQSSA-N -1 3 240.303 0.578 20 0 BCADHM N=c1nc(N2CCC(F)(F)C2)nc2[nH][n-]cc1-2 ZINC000354605650 181211890 /nfs/dbraw/zinc/21/18/90/181211890.db2.gz OQACXLWULKXANM-UHFFFAOYSA-N -1 3 240.217 0.562 20 0 BCADHM CC[C@@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CCCO1 ZINC000329433084 355920341 /nfs/dbraw/zinc/92/03/41/355920341.db2.gz LBAMUOJVZATXAU-BDAKNGLRSA-N -1 3 240.307 0.156 20 0 BCADHM CCN1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000329937535 356147122 /nfs/dbraw/zinc/14/71/22/356147122.db2.gz LPSOOCRNIFRBSG-UHFFFAOYSA-N -1 3 241.316 0.626 20 0 BCADHM Cc1cccc(C(=O)NC/C=C\CO)c1[O-] ZINC000617691539 356286972 /nfs/dbraw/zinc/28/69/72/356286972.db2.gz WPGSWUAHACNTJI-IHWYPQMZSA-N -1 3 221.256 0.979 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)NC/C=C\CO ZINC000617695432 356291373 /nfs/dbraw/zinc/29/13/73/356291373.db2.gz RDARJDNNYWFNOD-UPHRSURJSA-N -1 3 239.246 0.739 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)c2ccoc2)CC1 ZINC000352171761 134090909 /nfs/dbraw/zinc/09/09/09/134090909.db2.gz NJUKCQFNUHCFBX-UHFFFAOYSA-N -1 3 245.256 0.264 20 0 BCADHM CC[C@@H](O)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000420746042 192260507 /nfs/dbraw/zinc/26/05/07/192260507.db2.gz MQSXGAHVILSWBC-MRVPVSSYSA-N -1 3 233.289 0.637 20 0 BCADHM CON1CCC(N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000420644864 192254272 /nfs/dbraw/zinc/25/42/72/192254272.db2.gz SWCBJHBQUAEBMB-UHFFFAOYSA-N -1 3 248.290 0.164 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)C[C@H](CC)OC ZINC000420684835 192257272 /nfs/dbraw/zinc/25/72/72/192257272.db2.gz DVVOAINMDSGPIU-VIFPVBQESA-N -1 3 237.321 0.310 20 0 BCADHM CC[C@H](NCc1nc(C)ccc1[O-])C(=O)NC ZINC000449778594 202030758 /nfs/dbraw/zinc/03/07/58/202030758.db2.gz RSXIVEILSBZPCN-VIFPVBQESA-N -1 3 237.303 0.710 20 0 BCADHM CO[C@@H](C(=O)[N-]c1nncn1C)C1CCCC1 ZINC000613538312 363479375 /nfs/dbraw/zinc/47/93/75/363479375.db2.gz LIXVEBNXDZIVSA-SECBINFHSA-N -1 3 238.291 0.959 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1CC1(F)F ZINC000450127627 202082453 /nfs/dbraw/zinc/08/24/53/202082453.db2.gz MCRMPRDHVFBBIO-SCSAIBSYSA-N -1 3 245.185 0.790 20 0 BCADHM CC[C@@H](O)CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000450130926 202084215 /nfs/dbraw/zinc/08/42/15/202084215.db2.gz WSWKKRGEIBRUGX-ZCFIWIBFSA-N -1 3 241.247 0.296 20 0 BCADHM C[C@@H](CCCO)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000384380293 356633375 /nfs/dbraw/zinc/63/33/75/356633375.db2.gz NZAFHDNUBVQEJR-QMMMGPOBSA-N -1 3 247.320 0.097 20 0 BCADHM CC(C)(CO)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450388940 202148515 /nfs/dbraw/zinc/14/85/15/202148515.db2.gz IRUXWMXTZCQCIR-UHFFFAOYSA-N -1 3 241.262 0.961 20 0 BCADHM CC[C@H](CO)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450423048 202163409 /nfs/dbraw/zinc/16/34/09/202163409.db2.gz WIRGAIKEOUXVQX-SECBINFHSA-N -1 3 241.262 0.961 20 0 BCADHM C[C@@H](O)CCNC(=O)c1cccc2nn[n-]c21 ZINC000180036909 366362090 /nfs/dbraw/zinc/36/20/90/366362090.db2.gz FYIQZUIVFNLVBS-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM C[C@@H](O)CCNC(=O)c1cccc2[n-]nnc21 ZINC000180036909 366362099 /nfs/dbraw/zinc/36/20/99/366362099.db2.gz FYIQZUIVFNLVBS-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM C[C@@H](O)CCNC(=O)c1cccc2n[n-]nc21 ZINC000180036909 366362107 /nfs/dbraw/zinc/36/21/07/366362107.db2.gz FYIQZUIVFNLVBS-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM Cn1ccc(CNC(=O)c2ccc(O)cc2[O-])n1 ZINC000231633697 538627867 /nfs/dbraw/zinc/62/78/67/538627867.db2.gz WLUNUOABGOJUQG-UHFFFAOYSA-N -1 3 247.254 0.761 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC000020295351 357004953 /nfs/dbraw/zinc/00/49/53/357004953.db2.gz ZNMKUMGUFGXGOG-JTQLQIEISA-N -1 3 248.282 0.791 20 0 BCADHM CCc1cnc(CNC(=O)c2cc(=O)[n-]cn2)o1 ZINC000626487281 357063101 /nfs/dbraw/zinc/06/31/01/357063101.db2.gz OHPQANWWFWBFQI-UHFFFAOYSA-N -1 3 248.242 0.663 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCO[C@@H](C2CC2)C1 ZINC000626511558 357155861 /nfs/dbraw/zinc/15/58/61/357155861.db2.gz NFIBSZDNIMSYGE-SNVBAGLBSA-N -1 3 249.270 0.433 20 0 BCADHM COCCC[N-]S(=O)(=O)c1cscn1 ZINC000583690718 357120612 /nfs/dbraw/zinc/12/06/12/357120612.db2.gz DGILBJTYBAWVRR-UHFFFAOYSA-N -1 3 236.318 0.458 20 0 BCADHM CN(Cc1ncccc1[O-])[C@H]1CCNC1=O ZINC000582387363 357121171 /nfs/dbraw/zinc/12/11/71/357121171.db2.gz ULOLLRQOSMENSL-VIFPVBQESA-N -1 3 221.260 0.108 20 0 BCADHM CC1(C)[C@H](O)C[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000626523395 357175265 /nfs/dbraw/zinc/17/52/65/357175265.db2.gz XFZRHQRTHRTYMW-HTQZYQBOSA-N -1 3 237.259 0.071 20 0 BCADHM COCC1(CCN=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000582603592 357347925 /nfs/dbraw/zinc/34/79/25/357347925.db2.gz ZHHORKLMSBJVMN-UHFFFAOYSA-N -1 3 247.302 0.955 20 0 BCADHM CC[C@]1(O)CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000626531413 357394370 /nfs/dbraw/zinc/39/43/70/357394370.db2.gz BXQOVUREOYLWRH-NSHDSACASA-N -1 3 237.259 0.169 20 0 BCADHM CCCNC(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000397076313 357497864 /nfs/dbraw/zinc/49/78/64/357497864.db2.gz CXVJAEYVLRQPHF-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM O=C([O-])c1cnccc1NCCC1(CO)CC1 ZINC000395922960 357460813 /nfs/dbraw/zinc/46/08/13/357460813.db2.gz YNDQDMQREBFFSR-UHFFFAOYSA-N -1 3 236.271 0.776 20 0 BCADHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000397830817 357719848 /nfs/dbraw/zinc/71/98/48/357719848.db2.gz KNZLBKIHWWXCPS-MRVPVSSYSA-N -1 3 247.320 0.097 20 0 BCADHM COC(=O)C[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000583267238 357768112 /nfs/dbraw/zinc/76/81/12/357768112.db2.gz ONAXWAGWRKLXNQ-ZETCQYMHSA-N -1 3 247.272 0.510 20 0 BCADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)C(N)=O ZINC000235505424 357873079 /nfs/dbraw/zinc/87/30/79/357873079.db2.gz VIDUBCMJZDJOSP-YFKPBYRVSA-N -1 3 242.662 0.649 20 0 BCADHM O=C(Cn1cnnn1)Nc1ccc([O-])cc1F ZINC000085203772 134248163 /nfs/dbraw/zinc/24/81/63/134248163.db2.gz AYELLTTXOJUOAS-UHFFFAOYSA-N -1 3 237.194 0.157 20 0 BCADHM Cn1cc(C(=O)Nc2ccccc2[O-])nn1 ZINC000169912034 134251856 /nfs/dbraw/zinc/25/18/56/134251856.db2.gz BHVMHKZRZRMZNY-UHFFFAOYSA-N -1 3 218.216 0.773 20 0 BCADHM NC(=O)c1ccc(C(=O)[N-]c2nc[nH]n2)s1 ZINC000338865657 181295054 /nfs/dbraw/zinc/29/50/54/181295054.db2.gz ITXGKWQOYPXIII-UHFFFAOYSA-N -1 3 237.244 0.217 20 0 BCADHM CCOCCS(=O)(=O)[N-]Cc1cc(C)no1 ZINC000171082957 134257184 /nfs/dbraw/zinc/25/71/84/134257184.db2.gz SQJYFXFUWHMVBJ-UHFFFAOYSA-N -1 3 248.304 0.439 20 0 BCADHM CCC[C@H](N)C(=O)N(CC(=O)[O-])[C@H](C)CC ZINC000040486124 358237316 /nfs/dbraw/zinc/23/73/16/358237316.db2.gz QTZRFVGXUKOCPU-BDAKNGLRSA-N -1 3 230.308 0.826 20 0 BCADHM CCC[C@H](N)C(=O)N(CC(=O)[O-])[C@@H](C)CC ZINC000040486120 358237412 /nfs/dbraw/zinc/23/74/12/358237412.db2.gz QTZRFVGXUKOCPU-IUCAKERBSA-N -1 3 230.308 0.826 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)C[C@@H](O)C(F)(F)F ZINC000225443707 358300174 /nfs/dbraw/zinc/30/01/74/358300174.db2.gz RTZOSKQMUWDTLQ-CRCLSJGQSA-N -1 3 215.171 0.315 20 0 BCADHM O=C([O-])[C@@H]1CCCN1C[C@@H](O)C(F)(F)F ZINC000225442254 358300385 /nfs/dbraw/zinc/30/03/85/358300385.db2.gz IBNAZJMCNBYRJQ-NTSWFWBYSA-N -1 3 227.182 0.459 20 0 BCADHM CCC[C@@H](C)N1CCO[C@@H](C(=O)[O-])C1 ZINC000226452162 358339940 /nfs/dbraw/zinc/33/99/40/358339940.db2.gz LUUNUBQXJFCYSO-RKDXNWHRSA-N -1 3 201.266 0.960 20 0 BCADHM NC(=O)CCCCNC(=O)c1cccc([O-])c1 ZINC000227687857 358361269 /nfs/dbraw/zinc/36/12/69/358361269.db2.gz QAFUJSAIKJPUTP-UHFFFAOYSA-N -1 3 236.271 0.778 20 0 BCADHM Cn1cnnc1CNC(=O)c1cccc([O-])c1 ZINC000050420549 358730168 /nfs/dbraw/zinc/73/01/68/358730168.db2.gz DIIXELIWLBAUDC-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM C[C@H](NC(=O)c1csc(=O)[n-]1)C1(CO)CC1 ZINC000617898636 358741115 /nfs/dbraw/zinc/74/11/15/358741115.db2.gz IHETWWWOUMSOOL-LURJTMIESA-N -1 3 242.300 0.740 20 0 BCADHM CC1(c2nc(-c3cc(=O)[n-]cn3)no2)COC1 ZINC000351366739 366518245 /nfs/dbraw/zinc/51/82/45/366518245.db2.gz HOEHKIDBRSJVDA-UHFFFAOYSA-N -1 3 234.215 0.520 20 0 BCADHM Cc1cccc(C(=O)N2CCNC(=O)CC2)c1[O-] ZINC000059894588 358920879 /nfs/dbraw/zinc/92/08/79/358920879.db2.gz WRILLNIIRSYAQU-UHFFFAOYSA-N -1 3 248.282 0.663 20 0 BCADHM C[C@H]1CCN(C(=O)c2cc(=O)[n-]cn2)[C@H]1CO ZINC000626609950 358983193 /nfs/dbraw/zinc/98/31/93/358983193.db2.gz PJKXNRPDOQPQMG-CBAPKCEASA-N -1 3 237.259 0.025 20 0 BCADHM O=C(NC[C@@H]1CC[C@H](O)C1)c1cc(=O)[n-]cn1 ZINC000626631391 358996286 /nfs/dbraw/zinc/99/62/86/358996286.db2.gz WZZLSAPZHNDZDN-SFYZADRCSA-N -1 3 237.259 0.073 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1O ZINC000632433484 359329917 /nfs/dbraw/zinc/32/99/17/359329917.db2.gz UFKYSGGTBLCPDD-HTQZYQBOSA-N -1 3 246.288 0.175 20 0 BCADHM CC(C)(O)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000611678653 359416840 /nfs/dbraw/zinc/41/68/40/359416840.db2.gz NVSZGJOGQMAROO-UHFFFAOYSA-N -1 3 249.270 0.769 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@H]1C[C@]12CCOC2 ZINC000332947295 359525514 /nfs/dbraw/zinc/52/55/14/359525514.db2.gz VUIQPODZFDLNNG-RNCFNFMXSA-N -1 3 248.282 0.830 20 0 BCADHM C[C@@H](O)CCCNC(=O)c1cc(=O)[n-]cn1 ZINC000626705207 359509419 /nfs/dbraw/zinc/50/94/19/359509419.db2.gz JKGKCFNEZZREBW-SSDOTTSWSA-N -1 3 225.248 0.073 20 0 BCADHM O=C(NCC1(C(F)F)CC1)c1cc(=O)[n-]cn1 ZINC000626724689 359580220 /nfs/dbraw/zinc/58/02/20/359580220.db2.gz DSDOXYHHIYFOBS-UHFFFAOYSA-N -1 3 243.213 0.957 20 0 BCADHM C[C@@H]1C[C@H](C)N1C(=O)c1cc(=O)[n-]cn1 ZINC000626725504 359581236 /nfs/dbraw/zinc/58/12/36/359581236.db2.gz BAOSOEOSHBWXMZ-KNVOCYPGSA-N -1 3 207.233 0.805 20 0 BCADHM Cc1csc(S(=O)(=O)[N-]CCN(C)C)c1 ZINC000450969897 202323573 /nfs/dbraw/zinc/32/35/73/202323573.db2.gz PRJKZAJSIIOJQO-UHFFFAOYSA-N -1 3 248.373 0.896 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)CCC1CCCC1 ZINC000451015635 202332785 /nfs/dbraw/zinc/33/27/85/202332785.db2.gz GKPFDAXWKSLGKX-UHFFFAOYSA-N -1 3 249.332 0.659 20 0 BCADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)OC)n[n-]1 ZINC000180935861 366561224 /nfs/dbraw/zinc/56/12/24/366561224.db2.gz GHMHVUGPQKTBDW-ZCFIWIBFSA-N -1 3 241.247 0.560 20 0 BCADHM CCOC(=O)c1cc(NC(=O)[C@@H](C)OC)[n-]n1 ZINC000180935861 366561229 /nfs/dbraw/zinc/56/12/29/366561229.db2.gz GHMHVUGPQKTBDW-ZCFIWIBFSA-N -1 3 241.247 0.560 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)CC)C(F)F ZINC000451077198 202348586 /nfs/dbraw/zinc/34/85/86/202348586.db2.gz BPKBBLFGDMKOEA-RXMQYKEDSA-N -1 3 201.238 0.969 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cccc3nn[n-]c32)CO1 ZINC000578655197 366622186 /nfs/dbraw/zinc/62/21/86/366622186.db2.gz WCCOQKFTVMNVRV-YUMQZZPRSA-N -1 3 246.270 0.865 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cccc3[n-]nnc32)CO1 ZINC000578655197 366622191 /nfs/dbraw/zinc/62/21/91/366622191.db2.gz WCCOQKFTVMNVRV-YUMQZZPRSA-N -1 3 246.270 0.865 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)CO1 ZINC000578655197 366622196 /nfs/dbraw/zinc/62/21/96/366622196.db2.gz WCCOQKFTVMNVRV-YUMQZZPRSA-N -1 3 246.270 0.865 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1C[C@@H]2C[C@@H]2C1 ZINC000628519900 360006553 /nfs/dbraw/zinc/00/65/53/360006553.db2.gz GNOAAXYJEHVLDQ-KNVOCYPGSA-N -1 3 205.217 0.274 20 0 BCADHM C[C@@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC000091588133 360121113 /nfs/dbraw/zinc/12/11/13/360121113.db2.gz VBIGHTBMCHRATR-SFYZADRCSA-N -1 3 210.281 0.718 20 0 BCADHM CC[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 ZINC000092617132 360184510 /nfs/dbraw/zinc/18/45/10/360184510.db2.gz OOCZVNKGVHZOJI-MRVPVSSYSA-N -1 3 210.281 0.863 20 0 BCADHM C[C@@H]1C[C@H](C)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000092617140 360184810 /nfs/dbraw/zinc/18/48/10/360184810.db2.gz NNGSNPBJDFZLJX-OCAPTIKFSA-N -1 3 210.281 0.576 20 0 BCADHM CCN(CCCO)C(=O)Cc1cncc([O-])c1 ZINC000613012418 360275810 /nfs/dbraw/zinc/27/58/10/360275810.db2.gz LPWHPJSJRKOHPP-UHFFFAOYSA-N -1 3 238.287 0.561 20 0 BCADHM NC(=O)Nc1cccc(NC(=O)c2nc[n-]n2)c1 ZINC000095041572 360333272 /nfs/dbraw/zinc/33/32/72/360333272.db2.gz SSVYYNHMHNJNPY-UHFFFAOYSA-N -1 3 246.230 0.548 20 0 BCADHM O=C(Nc1ccc2n[nH]cc2c1)c1nc[n-]n1 ZINC000095041137 360333512 /nfs/dbraw/zinc/33/35/12/360333512.db2.gz PAAVVSYFWUVPLN-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(N[C@@H]1CCCC12CC2)c1c[n-]nn1 ZINC000633769612 360454948 /nfs/dbraw/zinc/45/49/48/360454948.db2.gz NKNACBWKTNDKPT-MRVPVSSYSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(N[C@@H]1CCCC12CC2)c1cnn[n-]1 ZINC000633769612 360454951 /nfs/dbraw/zinc/45/49/51/360454951.db2.gz NKNACBWKTNDKPT-MRVPVSSYSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(N[C@@H]1CCCC12CC2)c1cn[n-]n1 ZINC000633769612 360454954 /nfs/dbraw/zinc/45/49/54/360454954.db2.gz NKNACBWKTNDKPT-MRVPVSSYSA-N -1 3 206.249 0.867 20 0 BCADHM Cc1cc(C(=O)N[C@H]2COCCC2=O)ccc1[O-] ZINC000628884680 360723510 /nfs/dbraw/zinc/72/35/10/360723510.db2.gz HBTJSFOQVWYHDW-JTQLQIEISA-N -1 3 249.266 0.788 20 0 BCADHM COc1nc(NC(=O)[C@H]2CC[C@H](OC)C2)n[n-]1 ZINC000613196955 360724545 /nfs/dbraw/zinc/72/45/45/360724545.db2.gz XLZVTEMSELIBQT-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CC[C@H](OC)C2)[n-]1 ZINC000613196955 360724551 /nfs/dbraw/zinc/72/45/51/360724551.db2.gz XLZVTEMSELIBQT-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CC[C@H](OC)C2)n1 ZINC000613196955 360724556 /nfs/dbraw/zinc/72/45/56/360724556.db2.gz XLZVTEMSELIBQT-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM NCC(F)(F)C[N-]S(=O)(=O)CC1CCC1 ZINC000379705219 360779010 /nfs/dbraw/zinc/77/90/10/360779010.db2.gz NFQNYVQCTADPID-UHFFFAOYSA-N -1 3 242.291 0.300 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)c1ccc(F)cc1 ZINC000362423090 181314264 /nfs/dbraw/zinc/31/42/64/181314264.db2.gz LRBNCHRGJDEEDN-UHFFFAOYSA-N -1 3 249.205 0.295 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)c1ccc(F)cc1 ZINC000362423090 181314265 /nfs/dbraw/zinc/31/42/65/181314265.db2.gz LRBNCHRGJDEEDN-UHFFFAOYSA-N -1 3 249.205 0.295 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)c1ccc(F)cc1 ZINC000362423090 181314266 /nfs/dbraw/zinc/31/42/66/181314266.db2.gz LRBNCHRGJDEEDN-UHFFFAOYSA-N -1 3 249.205 0.295 20 0 BCADHM CS(=O)(=O)[N-]c1cnn(CCF)c1 ZINC000629320713 360994361 /nfs/dbraw/zinc/99/43/61/360994361.db2.gz LSKRASNMFYABBO-UHFFFAOYSA-N -1 3 207.230 0.224 20 0 BCADHM C[C@@H](O)CCN1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629361170 361010054 /nfs/dbraw/zinc/01/00/54/361010054.db2.gz DBNJXMBJOCZECK-SNVBAGLBSA-N -1 3 244.335 0.238 20 0 BCADHM COC[C@H](C)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629362490 361011942 /nfs/dbraw/zinc/01/19/42/361011942.db2.gz WBFWBPUPVYUGHY-JTQLQIEISA-N -1 3 244.335 0.502 20 0 BCADHM C[C@@H](CO)CN1CCc2occc2[C@H]1C(=O)[O-] ZINC000629366581 361021209 /nfs/dbraw/zinc/02/12/09/361021209.db2.gz VNNRQLIWFCUCQK-KCJUWKMLSA-N -1 3 239.271 0.892 20 0 BCADHM C[C@H](CO)CN1CCc2occc2[C@H]1C(=O)[O-] ZINC000629366582 361021341 /nfs/dbraw/zinc/02/13/41/361021341.db2.gz VNNRQLIWFCUCQK-KWQFWETISA-N -1 3 239.271 0.892 20 0 BCADHM Cc1nn(C)cc1S(=O)(=O)[N-]CC(C)(C)F ZINC000632607998 361161507 /nfs/dbraw/zinc/16/15/07/361161507.db2.gz AAVDLONNMVWCNL-UHFFFAOYSA-N -1 3 249.311 0.755 20 0 BCADHM O=C(Nc1cccc2n[n-]nc21)[C@H]1[C@@H]2COC[C@@H]21 ZINC000640380076 361189923 /nfs/dbraw/zinc/18/99/23/361189923.db2.gz WCWMGXUPWRAJOW-MTBHXBHISA-N -1 3 244.254 0.789 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CC(C)(C)F)c1 ZINC000632608973 361165907 /nfs/dbraw/zinc/16/59/07/361165907.db2.gz OMUBUFMTAWYEJG-UHFFFAOYSA-N -1 3 235.284 0.447 20 0 BCADHM COCC1CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000640553187 361308019 /nfs/dbraw/zinc/30/80/19/361308019.db2.gz LLQWZYVGADMJOV-UHFFFAOYSA-N -1 3 246.270 0.676 20 0 BCADHM Cc1ccc([O-])c(CN2CCN(C)C(=O)[C@@H]2C)n1 ZINC000428468094 201022746 /nfs/dbraw/zinc/02/27/46/201022746.db2.gz CNZNZPHOKVQUEQ-JTQLQIEISA-N -1 3 249.314 0.758 20 0 BCADHM Cc1ccc([O-])c(CN2CCN(C)C(=O)[C@H]2C)n1 ZINC000428468095 201023471 /nfs/dbraw/zinc/02/34/71/201023471.db2.gz CNZNZPHOKVQUEQ-SNVBAGLBSA-N -1 3 249.314 0.758 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC000614256258 363772400 /nfs/dbraw/zinc/77/24/00/363772400.db2.gz XFPZLKLAAUGVPF-VROVMSAKSA-N -1 3 234.255 0.296 20 0 BCADHM Cn1cnnc1[N-]C(=O)C(=O)c1ccc(F)cc1 ZINC000429463963 201110551 /nfs/dbraw/zinc/11/05/51/201110551.db2.gz IGRMHDPOECGUNY-UHFFFAOYSA-N -1 3 248.217 0.776 20 0 BCADHM CC1(C)C[C@H]1NC(=O)C(=O)[N-]c1cnns1 ZINC000429659482 201122934 /nfs/dbraw/zinc/12/29/34/201122934.db2.gz RJTLDXGPHSXAQQ-RXMQYKEDSA-N -1 3 240.288 0.391 20 0 BCADHM CC1(CNC(=O)C(=O)[N-]c2cnns2)CC1 ZINC000430054792 201140968 /nfs/dbraw/zinc/14/09/68/201140968.db2.gz AYTRKDFWWPHPRA-UHFFFAOYSA-N -1 3 240.288 0.393 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000151934049 201188466 /nfs/dbraw/zinc/18/84/66/201188466.db2.gz UUICXOUTINOJON-UHFFFAOYSA-N -1 3 240.288 0.781 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2ccc3n[n-]nc3c2)C1 ZINC000629683869 361604904 /nfs/dbraw/zinc/60/49/04/361604904.db2.gz LVTLKXBUACIBFD-KYZUINATSA-N -1 3 246.270 0.865 20 0 BCADHM CC(C)n1cnc(S(=O)(=O)[N-]CCF)c1 ZINC000435649975 201282069 /nfs/dbraw/zinc/28/20/69/201282069.db2.gz BDLDOVCJMZFOOI-UHFFFAOYSA-N -1 3 235.284 0.712 20 0 BCADHM O=S(=O)(CCC(F)(F)F)c1ncn[n-]1 ZINC000435680198 201282300 /nfs/dbraw/zinc/28/23/00/201282300.db2.gz FHENNPRUAUBUKG-UHFFFAOYSA-N -1 3 229.183 0.531 20 0 BCADHM O=S(=O)(CCC(F)(F)F)c1nnc[n-]1 ZINC000435680198 201282301 /nfs/dbraw/zinc/28/23/01/201282301.db2.gz FHENNPRUAUBUKG-UHFFFAOYSA-N -1 3 229.183 0.531 20 0 BCADHM CC[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000133804465 491160587 /nfs/dbraw/zinc/16/05/87/491160587.db2.gz NEEKTLAKNCYADJ-UHFFFAOYSA-N -1 3 217.294 0.762 20 0 BCADHM Cn1cnc(C(=O)Nc2ccccc2[O-])n1 ZINC000436899135 201340912 /nfs/dbraw/zinc/34/09/12/201340912.db2.gz BOJUQSLFEQNPDV-UHFFFAOYSA-N -1 3 218.216 0.773 20 0 BCADHM O=C([N-]c1nncn1C1CC1)[C@@H](O)C1CC1 ZINC000614583437 363897080 /nfs/dbraw/zinc/89/70/80/363897080.db2.gz XFTCZFAVEMFKCJ-QMMMGPOBSA-N -1 3 222.248 0.322 20 0 BCADHM O[C@@H](CCN=c1ncnc2[nH][n-]cc1-2)C(F)F ZINC000630385029 364096956 /nfs/dbraw/zinc/09/69/56/364096956.db2.gz JBUUFCGYAVEXJL-LURJTMIESA-N -1 3 243.217 0.154 20 0 BCADHM CC(C)(F)CN=c1ncnc2[nH][n-]cc1-2 ZINC000630385042 364097100 /nfs/dbraw/zinc/09/71/00/364097100.db2.gz JHXIJLJJKZFAJN-UHFFFAOYSA-N -1 3 209.228 0.886 20 0 BCADHM CCN[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000630572068 364268274 /nfs/dbraw/zinc/26/82/74/364268274.db2.gz YHZRIZQSFFKPHR-RKDXNWHRSA-N -1 3 230.308 0.600 20 0 BCADHM CCCC1(C(=O)[N-]c2nnc3[nH]cnn23)CC1 ZINC000614991642 364280503 /nfs/dbraw/zinc/28/05/03/364280503.db2.gz SLCHNJMCGVNBRF-UHFFFAOYSA-N -1 3 234.263 0.971 20 0 BCADHM CCO[C@@H](CC)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614992128 364284778 /nfs/dbraw/zinc/28/47/78/364284778.db2.gz XUNRUGHLOUKWPA-LURJTMIESA-N -1 3 238.251 0.206 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1CC1(F)F ZINC000614993332 364286668 /nfs/dbraw/zinc/28/66/68/364286668.db2.gz HKAJNUGFUZDJKJ-VKHMYHEASA-N -1 3 228.162 0.046 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@]12C[C@H]1CCC2 ZINC000614997668 364313215 /nfs/dbraw/zinc/31/32/15/364313215.db2.gz ZQHVAOUSHQXSTM-LHLIQPBNSA-N -1 3 232.247 0.581 20 0 BCADHM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCCN1C ZINC000615222109 364641565 /nfs/dbraw/zinc/64/15/65/364641565.db2.gz PKNJNEXFSSZUJH-QMMMGPOBSA-N -1 3 238.291 0.847 20 0 BCADHM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCCN1C ZINC000615226281 364645813 /nfs/dbraw/zinc/64/58/13/364645813.db2.gz JRLLWBITLZXCRI-SSDOTTSWSA-N -1 3 224.264 0.456 20 0 BCADHM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCN1C ZINC000615226283 364645825 /nfs/dbraw/zinc/64/58/25/364645825.db2.gz JRLLWBITLZXCRI-ZETCQYMHSA-N -1 3 224.264 0.456 20 0 BCADHM c1ncc(N=c2ncnc3[nH][n-]cc2-3)[nH]1 ZINC000573498246 364848718 /nfs/dbraw/zinc/84/87/18/364848718.db2.gz CYPDGBNCRMNTNE-UHFFFAOYSA-N -1 3 201.193 0.193 20 0 BCADHM c1nc(N=c2ncnc3[nH][n-]cc2-3)c[nH]1 ZINC000573498246 364848722 /nfs/dbraw/zinc/84/87/22/364848722.db2.gz CYPDGBNCRMNTNE-UHFFFAOYSA-N -1 3 201.193 0.193 20 0 BCADHM C[C@@H]1SCCN(CCOCC(=O)[O-])[C@H]1C ZINC000574763194 365138201 /nfs/dbraw/zinc/13/82/01/365138201.db2.gz MZUPPWBQKIVDFN-IUCAKERBSA-N -1 3 233.333 0.913 20 0 BCADHM CCOCC[N-]S(=O)(=O)c1cscn1 ZINC000575055862 365181014 /nfs/dbraw/zinc/18/10/14/365181014.db2.gz JULARPUBSGHJNU-UHFFFAOYSA-N -1 3 236.318 0.458 20 0 BCADHM C[C@@H](O)CCNC(=O)Cc1cncc([O-])c1 ZINC000575136699 365217790 /nfs/dbraw/zinc/21/77/90/365217790.db2.gz IDBXFJLDRWEXHA-MRVPVSSYSA-N -1 3 224.260 0.217 20 0 BCADHM COCCCSc1nc2n[nH]cc2c(=O)[n-]1 ZINC000192450298 365338218 /nfs/dbraw/zinc/33/82/18/365338218.db2.gz XWYRACARTSMRMY-UHFFFAOYSA-N -1 3 240.288 0.775 20 0 BCADHM CC[C@@H](CO)NC(=O)Cc1cncc([O-])c1 ZINC000575881321 365403475 /nfs/dbraw/zinc/40/34/75/365403475.db2.gz NLFFPAPZTGYQHO-VIFPVBQESA-N -1 3 224.260 0.217 20 0 BCADHM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]1N)C(=O)[O-] ZINC000575882294 365405319 /nfs/dbraw/zinc/40/53/19/365405319.db2.gz PLNUEFREGWFTPK-HLTSFMKQSA-N -1 3 228.292 0.197 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@@H]1CSCN1 ZINC000579593834 366893916 /nfs/dbraw/zinc/89/39/16/366893916.db2.gz CSLKVCTWPLYWOQ-QMMMGPOBSA-N -1 3 239.300 0.066 20 0 BCADHM CCOCCNC(=O)c1cccc2nn[n-]c21 ZINC000182725330 366936843 /nfs/dbraw/zinc/93/68/43/366936843.db2.gz SJBZANOWFAEUBU-UHFFFAOYSA-N -1 3 234.259 0.724 20 0 BCADHM CCOCCNC(=O)c1cccc2[n-]nnc21 ZINC000182725330 366936847 /nfs/dbraw/zinc/93/68/47/366936847.db2.gz SJBZANOWFAEUBU-UHFFFAOYSA-N -1 3 234.259 0.724 20 0 BCADHM CCOCCNC(=O)c1cccc2n[n-]nc21 ZINC000182725330 366936852 /nfs/dbraw/zinc/93/68/52/366936852.db2.gz SJBZANOWFAEUBU-UHFFFAOYSA-N -1 3 234.259 0.724 20 0 BCADHM CNC(=O)CC(=O)Nc1cc(F)ccc1[O-] ZINC000185622117 367139043 /nfs/dbraw/zinc/13/90/43/367139043.db2.gz YYLIRZYHTGTQDM-UHFFFAOYSA-N -1 3 226.207 0.606 20 0 BCADHM Cc1c([N-]S(=O)(=O)C2CC2)cnn1C ZINC000185623031 367139315 /nfs/dbraw/zinc/13/93/15/367139315.db2.gz YYVNNRNRNHKBBN-UHFFFAOYSA-N -1 3 215.278 0.633 20 0 BCADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)C(C)(C)C ZINC000380297083 367174245 /nfs/dbraw/zinc/17/42/45/367174245.db2.gz CWRSZJSJISBHTH-SSDOTTSWSA-N -1 3 212.297 0.633 20 0 BCADHM [O-]c1cccnc1CNC1(CO)CCOCC1 ZINC000580979185 367222539 /nfs/dbraw/zinc/22/25/39/367222539.db2.gz NWKLZSYEDRDTPW-UHFFFAOYSA-N -1 3 238.287 0.418 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@]1(O)CCOC1 ZINC000622322391 370848437 /nfs/dbraw/zinc/84/84/37/370848437.db2.gz NSVBNTMLYAGFHC-NSHDSACASA-N -1 3 223.228 0.482 20 0 BCADHM CS(=O)(=O)[N-]N=Cc1ncc(Cl)s1 ZINC000382145567 367490786 /nfs/dbraw/zinc/49/07/86/367490786.db2.gz NTZBZJIQULXEHD-UHFFFAOYSA-N -1 3 239.709 0.680 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@@H](C)NC1CC1 ZINC000382914667 367567147 /nfs/dbraw/zinc/56/71/47/367567147.db2.gz AQPOTCHDKQMGNG-MRVPVSSYSA-N -1 3 228.292 0.450 20 0 BCADHM CN(CCC(N)=O)C(=O)c1ccc(O)cc1[O-] ZINC000382403089 367516523 /nfs/dbraw/zinc/51/65/23/367516523.db2.gz WQIHYORFPSVLNH-UHFFFAOYSA-N -1 3 238.243 0.045 20 0 BCADHM C[C@H]1C[C@H](O)CN1C(=O)c1ccc(O)cc1[O-] ZINC000384855331 367744727 /nfs/dbraw/zinc/74/47/27/367744727.db2.gz DRYAQMRFXUFMHW-CBAPKCEASA-N -1 3 237.255 0.693 20 0 BCADHM CC[C@@H](NC(=O)c1c([O-])cccc1O)[C@@H](C)O ZINC000387103631 368050123 /nfs/dbraw/zinc/05/01/23/368050123.db2.gz HREMGZAJQUJBAM-HTQZYQBOSA-N -1 3 239.271 0.987 20 0 BCADHM O=C([O-])c1cnccc1N[C@H]1CC[S@@](=O)C1 ZINC000582005584 368127952 /nfs/dbraw/zinc/12/79/52/368127952.db2.gz APFDDFCDBYUCLB-HYORBCNSSA-N -1 3 240.284 0.135 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCOC1 ZINC000615763773 368285699 /nfs/dbraw/zinc/28/56/99/368285699.db2.gz LYVSPVGONRUWKB-UHFFFAOYSA-N -1 3 208.217 0.146 20 0 BCADHM CC[C@@](C)(CO)NC(=O)c1ccc(O)cc1[O-] ZINC000080875604 368553306 /nfs/dbraw/zinc/55/33/06/368553306.db2.gz YVZVCKGZOWJGJJ-LBPRGKRZSA-N -1 3 239.271 0.989 20 0 BCADHM CCOC(=O)c1nnc(CNC(=O)CC)[n-]1 ZINC000615920331 368664954 /nfs/dbraw/zinc/66/49/54/368664954.db2.gz WNJIJFMTYJFDQK-UHFFFAOYSA-N -1 3 226.236 0.008 20 0 BCADHM C[C@@H](Cn1cncn1)NC(=O)c1ccccc1[O-] ZINC000068087382 368713165 /nfs/dbraw/zinc/71/31/65/368713165.db2.gz GOECNUJQIOMUPJ-VIFPVBQESA-N -1 3 246.270 0.802 20 0 BCADHM CN(Cc1cncn1C)C(C)(C)C(=O)[O-] ZINC000085182650 368862999 /nfs/dbraw/zinc/86/29/99/368862999.db2.gz PFVNYPFCSBGMKC-UHFFFAOYSA-N -1 3 211.265 0.715 20 0 BCADHM O=C(NCC1=CCCOC1)c1cc(=O)[n-]cn1 ZINC000627291175 369042583 /nfs/dbraw/zinc/04/25/83/369042583.db2.gz MGMKFSPYFPMDEH-UHFFFAOYSA-N -1 3 235.243 0.259 20 0 BCADHM CC(C)N(Cc1ncccc1[O-])C[C@@H](O)CO ZINC000567603867 326226859 /nfs/dbraw/zinc/22/68/59/326226859.db2.gz LWRXMRHGXXUGQN-SNVBAGLBSA-N -1 3 240.303 0.351 20 0 BCADHM CN1CCN(C(=O)c2cccc([O-])c2)CCC1=O ZINC000619052603 369268575 /nfs/dbraw/zinc/26/85/75/369268575.db2.gz WKNLMIIIOQPAQK-UHFFFAOYSA-N -1 3 248.282 0.697 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)C(C)(C)O)[n-]1 ZINC000619447015 369368727 /nfs/dbraw/zinc/36/87/27/369368727.db2.gz HRHITBYHMBWJCT-UHFFFAOYSA-N -1 3 241.247 0.296 20 0 BCADHM CCOC(=O)c1nc(NC(=O)C(C)(C)O)c[n-]1 ZINC000619447015 369368731 /nfs/dbraw/zinc/36/87/31/369368731.db2.gz HRHITBYHMBWJCT-UHFFFAOYSA-N -1 3 241.247 0.296 20 0 BCADHM CC1(C)OCC[C@@H]1CNC(=O)c1c[n-]nn1 ZINC000620511228 369902264 /nfs/dbraw/zinc/90/22/64/369902264.db2.gz YGYYWHPVZHLFRT-SSDOTTSWSA-N -1 3 224.264 0.350 20 0 BCADHM CC1(C)OCC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC000620511228 369902268 /nfs/dbraw/zinc/90/22/68/369902268.db2.gz YGYYWHPVZHLFRT-SSDOTTSWSA-N -1 3 224.264 0.350 20 0 BCADHM CC1(C)OCC[C@@H]1CNC(=O)c1cn[n-]n1 ZINC000620511228 369902271 /nfs/dbraw/zinc/90/22/71/369902271.db2.gz YGYYWHPVZHLFRT-SSDOTTSWSA-N -1 3 224.264 0.350 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C1)c1ccccc1[O-] ZINC000620869531 370021275 /nfs/dbraw/zinc/02/12/75/370021275.db2.gz JPQWVDPRLVQKAC-ZKCHVHJHSA-N -1 3 207.229 0.645 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)C12CC(C1)C2 ZINC000627313077 370198064 /nfs/dbraw/zinc/19/80/64/370198064.db2.gz SZNDCYRZMHARPF-UHFFFAOYSA-N -1 3 235.287 0.559 20 0 BCADHM COCCCNC(=O)c1cc(F)c[n-]c1=O ZINC000621267939 370199683 /nfs/dbraw/zinc/19/96/83/370199683.db2.gz VKARVTYNVFAGBW-UHFFFAOYSA-N -1 3 228.223 0.693 20 0 BCADHM C[C@@H](CO)NC(=O)c1cc(F)c[n-]c1=O ZINC000621531708 370381222 /nfs/dbraw/zinc/38/12/22/370381222.db2.gz GTANBBHXTIYZDV-YFKPBYRVSA-N -1 3 214.196 0.037 20 0 BCADHM O=C(NC1CCOCC1)c1cc(F)c[n-]c1=O ZINC000621674910 370427036 /nfs/dbraw/zinc/42/70/36/370427036.db2.gz HQJGJKGWNJCIKF-UHFFFAOYSA-N -1 3 240.234 0.835 20 0 BCADHM C[C@H](CO)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621922261 370602201 /nfs/dbraw/zinc/60/22/01/370602201.db2.gz SXSDKYOJVFYVKH-LURJTMIESA-N -1 3 228.223 0.285 20 0 BCADHM O=C(NCC(F)F)c1cc(F)c[n-]c1=O ZINC000621894233 370585016 /nfs/dbraw/zinc/58/50/16/370585016.db2.gz IPGZOGAREPGAIN-UHFFFAOYSA-N -1 3 220.150 0.921 20 0 BCADHM C[C@]1(O)CCN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000621900653 370590526 /nfs/dbraw/zinc/59/05/26/370590526.db2.gz CZMZBFXFIJWRJY-NSHDSACASA-N -1 3 240.234 0.523 20 0 BCADHM CCN(CCOC)C(=O)c1cc(=O)[n-]cn1 ZINC000623932171 371162131 /nfs/dbraw/zinc/16/21/31/371162131.db2.gz CIOYOQYFOQOCFM-UHFFFAOYSA-N -1 3 225.248 0.291 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCCCO ZINC000623934546 371164101 /nfs/dbraw/zinc/16/41/01/371164101.db2.gz XWVUBVMGRFFCNE-UHFFFAOYSA-N -1 3 209.245 0.813 20 0 BCADHM CCCN(CCO)C(=O)c1cc(=O)[n-]cn1 ZINC000623938319 371166695 /nfs/dbraw/zinc/16/66/95/371166695.db2.gz MBTHACVLGFHDEM-UHFFFAOYSA-N -1 3 225.248 0.027 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCCCC(N)=O ZINC000624102998 371308195 /nfs/dbraw/zinc/30/81/95/371308195.db2.gz PBUVSGVKJXRFGC-UHFFFAOYSA-N -1 3 236.271 0.696 20 0 BCADHM C[C@H]1C[C@@H]1CNC(=O)c1cc(=O)[n-]cn1 ZINC000624107986 371312218 /nfs/dbraw/zinc/31/22/18/371312218.db2.gz DOBZIBLBBCMWJW-NKWVEPMBSA-N -1 3 207.233 0.568 20 0 BCADHM C[C@@H](Cn1ccnc1)NC(=O)c1cc(=O)[n-]cn1 ZINC000624156233 371350927 /nfs/dbraw/zinc/35/09/27/371350927.db2.gz VPJZHLBPABEWHS-QMMMGPOBSA-N -1 3 247.258 0.197 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N(C1CC1)C1COC1 ZINC000627559833 371708064 /nfs/dbraw/zinc/70/80/64/371708064.db2.gz CPPRJGRAFXCANV-UHFFFAOYSA-N -1 3 235.243 0.186 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CCOCCN1 ZINC000627570283 371720139 /nfs/dbraw/zinc/72/01/39/371720139.db2.gz CNKSMNUNMVYHLX-UHFFFAOYSA-N -1 3 236.271 0.678 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)[C@@H]1C ZINC000627537285 371689182 /nfs/dbraw/zinc/68/91/82/371689182.db2.gz BXSUQWDAMUNREZ-RNFRBKRXSA-N -1 3 207.233 0.663 20 0 BCADHM C[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)[C@H]1C ZINC000627537283 371689828 /nfs/dbraw/zinc/68/98/28/371689828.db2.gz BXSUQWDAMUNREZ-BQBZGAKWSA-N -1 3 207.233 0.663 20 0 BCADHM CC1(C)OCC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627582171 371761499 /nfs/dbraw/zinc/76/14/99/371761499.db2.gz ICBAARWBAMGPGP-QMMMGPOBSA-N -1 3 237.259 0.480 20 0 BCADHM C[C@H](N(C)C(=O)c1cc(=O)[n-]cn1)C(C)(C)O ZINC000627601773 371771683 /nfs/dbraw/zinc/77/16/83/371771683.db2.gz QUKOGMPXQQTJBT-ZETCQYMHSA-N -1 3 239.275 0.414 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC(=O)N[C@H](C)C1 ZINC000627633850 371795536 /nfs/dbraw/zinc/79/55/36/371795536.db2.gz UFMIBOFCSRIXAC-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM O=C(NCCC1(CO)CC1)c1cc(=O)[n-]cn1 ZINC000627659546 371817328 /nfs/dbraw/zinc/81/73/28/371817328.db2.gz XETCBCSLPUBKMP-UHFFFAOYSA-N -1 3 237.259 0.075 20 0 BCADHM NC(=O)COc1ccc2c([O-])coc2c1 ZINC000057524436 371857088 /nfs/dbraw/zinc/85/70/88/371857088.db2.gz PQJWFMBODDCAFA-UHFFFAOYSA-N -1 3 207.185 0.126 20 0 BCADHM O=c1cc(N2CCC3(CC2)OCCO3)nc[n-]1 ZINC000162886933 371875385 /nfs/dbraw/zinc/87/53/85/371875385.db2.gz NOBBWJVTUGIEDV-UHFFFAOYSA-N -1 3 237.259 0.113 20 0 BCADHM CC(C)[C@@H]1C[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627719891 371887720 /nfs/dbraw/zinc/88/77/20/371887720.db2.gz JQSMNFKWLZZPAM-JGVFFNPUSA-N -1 3 221.260 0.957 20 0 BCADHM CC(C)(C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631639585 372475452 /nfs/dbraw/zinc/47/54/52/372475452.db2.gz QDIKHRJRPOYEDU-UHFFFAOYSA-N -1 3 236.318 0.926 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CC(C)C ZINC000631641241 372476418 /nfs/dbraw/zinc/47/64/18/372476418.db2.gz QTOLETJOUPOISB-UHFFFAOYSA-N -1 3 218.278 0.917 20 0 BCADHM CC(C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631634469 372471992 /nfs/dbraw/zinc/47/19/92/372471992.db2.gz WSPLZTIQMPXHSE-UHFFFAOYSA-N -1 3 222.291 0.535 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]CCC(C)(C)C ZINC000631735762 372538270 /nfs/dbraw/zinc/53/82/70/372538270.db2.gz PGRCSFPPXCESKN-UHFFFAOYSA-N -1 3 246.336 0.530 20 0 BCADHM O=C(Nc1cnc(C2CC2)nc1)c1cnn[n-]1 ZINC000171314732 372533414 /nfs/dbraw/zinc/53/34/14/372533414.db2.gz BLNRXDGKWRSEIT-UHFFFAOYSA-N -1 3 230.231 0.724 20 0 BCADHM O=C(Nc1cnc(C2CC2)nc1)c1c[n-]nn1 ZINC000171314732 372533420 /nfs/dbraw/zinc/53/34/20/372533420.db2.gz BLNRXDGKWRSEIT-UHFFFAOYSA-N -1 3 230.231 0.724 20 0 BCADHM O=C(Nc1cnc(C2CC2)nc1)c1cn[n-]n1 ZINC000171314732 372533423 /nfs/dbraw/zinc/53/34/23/372533423.db2.gz BLNRXDGKWRSEIT-UHFFFAOYSA-N -1 3 230.231 0.724 20 0 BCADHM COC[C@@H](C)C[N-]S(=O)(=O)c1conc1C ZINC000631800672 372582822 /nfs/dbraw/zinc/58/28/22/372582822.db2.gz LQZVFCVOOZBTON-ZETCQYMHSA-N -1 3 248.304 0.544 20 0 BCADHM COCC(C)(C)[N-]S(=O)(=O)c1conc1C ZINC000631891617 372689088 /nfs/dbraw/zinc/68/90/88/372689088.db2.gz GGKXDUGUAUVSPH-UHFFFAOYSA-N -1 3 248.304 0.686 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@H](O)C1CC1 ZINC000632007172 372723578 /nfs/dbraw/zinc/72/35/78/372723578.db2.gz BQWMAPLOFCGPIJ-QMMMGPOBSA-N -1 3 246.288 0.032 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H](C)CCO ZINC000632015824 372724159 /nfs/dbraw/zinc/72/41/59/372724159.db2.gz YDWNQCVUQQWPEB-LURJTMIESA-N -1 3 234.277 0.032 20 0 BCADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1nncn1C ZINC000632017402 372725012 /nfs/dbraw/zinc/72/50/12/372725012.db2.gz WNPHBYUKDXNLOA-QMMMGPOBSA-N -1 3 246.336 0.386 20 0 BCADHM CC1(C[N-]S(=O)(=O)c2c[nH]c(=O)s2)CC1 ZINC000632064023 372743833 /nfs/dbraw/zinc/74/38/33/372743833.db2.gz LMUIYKSZLBCVMF-UHFFFAOYSA-N -1 3 248.329 0.927 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H](C)CCCO ZINC000632090099 372756028 /nfs/dbraw/zinc/75/60/28/372756028.db2.gz WYSRFHXWDGIEBQ-ZETCQYMHSA-N -1 3 248.304 0.422 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H](C)C[C@@H](C)O ZINC000632200652 372804323 /nfs/dbraw/zinc/80/43/23/372804323.db2.gz KBAJGJDYRXUUSD-NKWVEPMBSA-N -1 3 248.304 0.421 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)c1conc1C ZINC000632220837 372812993 /nfs/dbraw/zinc/81/29/93/372812993.db2.gz INJQWNHSWHAKKP-UHFFFAOYSA-N -1 3 232.261 0.240 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)CCC(C)(F)F ZINC000632221843 372813023 /nfs/dbraw/zinc/81/30/23/372813023.db2.gz UGRWVCVSGFCPCF-UHFFFAOYSA-N -1 3 243.275 0.930 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C1(CCO)CC1 ZINC000632363778 372901045 /nfs/dbraw/zinc/90/10/45/372901045.db2.gz XYAJYRDYTGAMSE-UHFFFAOYSA-N -1 3 246.288 0.176 20 0 BCADHM O=C(C[C@@H]1CCOC1)Nc1ccncc1[O-] ZINC000330794026 182020641 /nfs/dbraw/zinc/02/06/41/182020641.db2.gz VVJPZWRJFWEGLB-QMMMGPOBSA-N -1 3 222.244 0.574 20 0 BCADHM COC(C)(C)CS(=O)(=O)[N-]C1(C(C)=O)CC1 ZINC000632449092 372954431 /nfs/dbraw/zinc/95/44/31/372954431.db2.gz PSDIUWXSKVGPQW-UHFFFAOYSA-N -1 3 249.332 0.452 20 0 BCADHM O=C(C[C@H]1NC(=O)[N-]C1=O)Nc1ccsc1 ZINC000339981758 182031963 /nfs/dbraw/zinc/03/19/63/182031963.db2.gz XGCHDMYAZGTOQQ-ZCFIWIBFSA-N -1 3 239.256 0.285 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)c2ccc(C)o2)CC1 ZINC000632448720 372951632 /nfs/dbraw/zinc/95/16/32/372951632.db2.gz HTSOQRGMNTZQIL-UHFFFAOYSA-N -1 3 243.284 0.988 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H]1CO[C@H](C)C1 ZINC000632504120 372975252 /nfs/dbraw/zinc/97/52/52/372975252.db2.gz USGJWEAOXYIGID-HTRCEHHLSA-N -1 3 246.288 0.439 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@H]1C[C@@H](O)C1 ZINC000632600135 373028185 /nfs/dbraw/zinc/02/81/85/373028185.db2.gz ILSQCSGZUJOQBH-OCAPTIKFSA-N -1 3 246.288 0.032 20 0 BCADHM O=S(=O)([N-][C@H]1C[C@@H](CO)C1)c1cscn1 ZINC000632620255 373037157 /nfs/dbraw/zinc/03/71/57/373037157.db2.gz FNYSZFQMXIFKJI-KNVOCYPGSA-N -1 3 248.329 0.192 20 0 BCADHM O=C(Cc1cc[nH]n1)Nc1ncccc1[O-] ZINC000120761407 182054131 /nfs/dbraw/zinc/05/41/31/182054131.db2.gz XQUMGIHUSXYLCT-UHFFFAOYSA-N -1 3 218.216 0.692 20 0 BCADHM COC(C)(C)CS(=O)(=O)[N-]C1(C)COC1 ZINC000632664515 373053316 /nfs/dbraw/zinc/05/33/16/373053316.db2.gz HVOAOSZJRLUXTC-UHFFFAOYSA-N -1 3 237.321 0.120 20 0 BCADHM CC1([N-]S(=O)(=O)c2ccco2)COC1 ZINC000632664402 373056833 /nfs/dbraw/zinc/05/68/33/373056833.db2.gz CBIIGFCIMWXDFR-UHFFFAOYSA-N -1 3 217.246 0.347 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1O ZINC000632700932 373080304 /nfs/dbraw/zinc/08/03/04/373080304.db2.gz UFKYSGGTBLCPDD-YUMQZZPRSA-N -1 3 246.288 0.175 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1C[C@@]12CCOC2 ZINC000329755751 182085527 /nfs/dbraw/zinc/08/55/27/182085527.db2.gz YFSGKNIJVMJLCA-PRHODGIISA-N -1 3 234.255 0.574 20 0 BCADHM CC1(C)C[C@@H]1C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520350 373582714 /nfs/dbraw/zinc/58/27/14/373582714.db2.gz GDZYASPAFDMCOP-SSDOTTSWSA-N -1 3 237.259 0.550 20 0 BCADHM O=C(C[C@@H]1C=CCC1)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633522406 373582827 /nfs/dbraw/zinc/58/28/27/373582827.db2.gz UNLYMCQDKSRWDL-MRVPVSSYSA-N -1 3 249.270 0.860 20 0 BCADHM CC[C@@H](C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520877 373583874 /nfs/dbraw/zinc/58/38/74/373583874.db2.gz FHLRMJCGJWDYDE-ZCFIWIBFSA-N -1 3 225.248 0.550 20 0 BCADHM O=C(NCCCO)c1cc(F)cc2nn[n-]c21 ZINC000277391982 182170491 /nfs/dbraw/zinc/17/04/91/182170491.db2.gz KJKKDLYIWRDAIE-UHFFFAOYSA-N -1 3 238.222 0.209 20 0 BCADHM O=C(NCCCO)c1cc(F)cc2[n-]nnc21 ZINC000277391982 182170492 /nfs/dbraw/zinc/17/04/92/182170492.db2.gz KJKKDLYIWRDAIE-UHFFFAOYSA-N -1 3 238.222 0.209 20 0 BCADHM O=C(NCCCO)c1cc(F)cc2n[n-]nc21 ZINC000277391982 182170493 /nfs/dbraw/zinc/17/04/93/182170493.db2.gz KJKKDLYIWRDAIE-UHFFFAOYSA-N -1 3 238.222 0.209 20 0 BCADHM O=C(N[C@H]1C[C@@H](CO)C1)c1ccccc1[O-] ZINC000633841415 373804839 /nfs/dbraw/zinc/80/48/39/373804839.db2.gz REQLKVYATVIZDD-DTORHVGOSA-N -1 3 221.256 0.893 20 0 BCADHM O=C(NCCN1CCCC1)c1ncccc1[O-] ZINC000054134717 182185044 /nfs/dbraw/zinc/18/50/44/182185044.db2.gz RRTZCCFOZFHKDJ-UHFFFAOYSA-N -1 3 235.287 0.613 20 0 BCADHM O=C(N[C@H]1C[C@@H](CO)C1)c1cccc2nn[n-]c21 ZINC000633837292 373798121 /nfs/dbraw/zinc/79/81/21/373798121.db2.gz HFFHFCQHCBWJTK-OCAPTIKFSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(N[C@H]1C[C@@H](CO)C1)c1cccc2[n-]nnc21 ZINC000633837292 373798127 /nfs/dbraw/zinc/79/81/27/373798127.db2.gz HFFHFCQHCBWJTK-OCAPTIKFSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(N[C@H]1C[C@@H](CO)C1)c1cccc2n[n-]nc21 ZINC000633837292 373798134 /nfs/dbraw/zinc/79/81/34/373798134.db2.gz HFFHFCQHCBWJTK-OCAPTIKFSA-N -1 3 246.270 0.459 20 0 BCADHM CC1(NC(=O)Cc2ccc([O-])c(F)c2)COC1 ZINC000634190955 374004415 /nfs/dbraw/zinc/00/44/15/374004415.db2.gz CIVDDTPEWOIDCI-UHFFFAOYSA-N -1 3 239.246 0.979 20 0 BCADHM CC1(NC(=O)c2cccc([O-])c2)COC1 ZINC000634197921 374017069 /nfs/dbraw/zinc/01/70/69/374017069.db2.gz KAZQKKOOGJSGON-UHFFFAOYSA-N -1 3 207.229 0.911 20 0 BCADHM O=C(NC[C@@H](CO)c1ccccc1)c1c[n-]nn1 ZINC000151739689 182218170 /nfs/dbraw/zinc/21/81/70/182218170.db2.gz KUSFOWRTWZKYPQ-JTQLQIEISA-N -1 3 246.270 0.311 20 0 BCADHM O=C(NC[C@@H](CO)c1ccccc1)c1cnn[n-]1 ZINC000151739689 182218171 /nfs/dbraw/zinc/21/81/71/182218171.db2.gz KUSFOWRTWZKYPQ-JTQLQIEISA-N -1 3 246.270 0.311 20 0 BCADHM O=C(NC[C@@H](CO)c1ccccc1)c1cn[n-]n1 ZINC000151739689 182218173 /nfs/dbraw/zinc/21/81/73/182218173.db2.gz KUSFOWRTWZKYPQ-JTQLQIEISA-N -1 3 246.270 0.311 20 0 BCADHM N[C@@]1(C(=O)NCc2ncccc2[O-])CC1(F)F ZINC000634275986 374086657 /nfs/dbraw/zinc/08/66/57/374086657.db2.gz KRGIGAKRSIOBFE-SECBINFHSA-N -1 3 243.213 0.140 20 0 BCADHM O=C(NCc1ccc2cc[nH]c2n1)c1c[n-]nn1 ZINC000358394077 182252356 /nfs/dbraw/zinc/25/23/56/182252356.db2.gz ZNVGWULRNRZFBM-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM O=C(NCc1ccc2cc[nH]c2n1)c1cnn[n-]1 ZINC000358394077 182252358 /nfs/dbraw/zinc/25/23/58/182252358.db2.gz ZNVGWULRNRZFBM-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM O=C(NCc1ccc2cc[nH]c2n1)c1cn[n-]n1 ZINC000358394077 182252360 /nfs/dbraw/zinc/25/23/60/182252360.db2.gz ZNVGWULRNRZFBM-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM O=C(NCc1ncccc1[O-])c1ccncn1 ZINC000352518630 182274541 /nfs/dbraw/zinc/27/45/41/182274541.db2.gz YKFUWDNIGJUILB-UHFFFAOYSA-N -1 3 230.227 0.507 20 0 BCADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)NC1CC1 ZINC000331662291 182272709 /nfs/dbraw/zinc/27/27/09/182272709.db2.gz MLKKLCQHSPKDNY-UHFFFAOYSA-N -1 3 249.196 0.785 20 0 BCADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)NC1CC1 ZINC000331662291 182272711 /nfs/dbraw/zinc/27/27/11/182272711.db2.gz MLKKLCQHSPKDNY-UHFFFAOYSA-N -1 3 249.196 0.785 20 0 BCADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)NC1CC1 ZINC000331662291 182272713 /nfs/dbraw/zinc/27/27/13/182272713.db2.gz MLKKLCQHSPKDNY-UHFFFAOYSA-N -1 3 249.196 0.785 20 0 BCADHM O=C(NCc1ncccc1[O-])c1cn[nH]c1 ZINC000352516620 182273088 /nfs/dbraw/zinc/27/30/88/182273088.db2.gz MGRKARTXIGQPQK-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM O=C(N[C@@H](C1CC1)C(F)(F)F)c1c[n-]nn1 ZINC000288700985 182285882 /nfs/dbraw/zinc/28/58/82/182285882.db2.gz WVHQUHRGZWYTOM-LURJTMIESA-N -1 3 234.181 0.875 20 0 BCADHM O=C(N[C@@H](C1CC1)C(F)(F)F)c1cnn[n-]1 ZINC000288700985 182285885 /nfs/dbraw/zinc/28/58/85/182285885.db2.gz WVHQUHRGZWYTOM-LURJTMIESA-N -1 3 234.181 0.875 20 0 BCADHM O=C(N[C@@H](C1CC1)C(F)(F)F)c1cn[n-]n1 ZINC000288700985 182285888 /nfs/dbraw/zinc/28/58/88/182285888.db2.gz WVHQUHRGZWYTOM-LURJTMIESA-N -1 3 234.181 0.875 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1c[n-]nn1 ZINC000126519447 182300395 /nfs/dbraw/zinc/30/03/95/182300395.db2.gz LYPJQVIUNBSBQY-NQMVMOMDSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cnn[n-]1 ZINC000126519447 182300398 /nfs/dbraw/zinc/30/03/98/182300398.db2.gz LYPJQVIUNBSBQY-NQMVMOMDSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cn[n-]n1 ZINC000126519447 182300400 /nfs/dbraw/zinc/30/04/00/182300400.db2.gz LYPJQVIUNBSBQY-NQMVMOMDSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1COc2ccc(F)cc21)c1c[n-]nn1 ZINC000341362257 182314705 /nfs/dbraw/zinc/31/47/05/182314705.db2.gz FCFGAMHOKXOYOF-SECBINFHSA-N -1 3 248.217 0.807 20 0 BCADHM O=C(N[C@@H]1COc2ccc(F)cc21)c1cnn[n-]1 ZINC000341362257 182314706 /nfs/dbraw/zinc/31/47/06/182314706.db2.gz FCFGAMHOKXOYOF-SECBINFHSA-N -1 3 248.217 0.807 20 0 BCADHM O=C(N[C@@H]1COc2ccc(F)cc21)c1cn[n-]n1 ZINC000341362257 182314708 /nfs/dbraw/zinc/31/47/08/182314708.db2.gz FCFGAMHOKXOYOF-SECBINFHSA-N -1 3 248.217 0.807 20 0 BCADHM O=C(N[C@H]1CCCC[C@H]1CO)c1c[n-]nn1 ZINC000230181649 182328694 /nfs/dbraw/zinc/32/86/94/182328694.db2.gz RQIVJQGKYQULAC-YUMQZZPRSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCCC[C@H]1CO)c1cnn[n-]1 ZINC000230181649 182328695 /nfs/dbraw/zinc/32/86/95/182328695.db2.gz RQIVJQGKYQULAC-YUMQZZPRSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCCC[C@H]1CO)c1cn[n-]n1 ZINC000230181649 182328697 /nfs/dbraw/zinc/32/86/97/182328697.db2.gz RQIVJQGKYQULAC-YUMQZZPRSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCC[C@H]2OCC[C@@H]21)c1c[n-]nn1 ZINC000126519683 182333340 /nfs/dbraw/zinc/33/33/40/182333340.db2.gz LYPJQVIUNBSBQY-KHQFGBGNSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@H]1CCC[C@H]2OCC[C@@H]21)c1cnn[n-]1 ZINC000126519683 182333341 /nfs/dbraw/zinc/33/33/41/182333341.db2.gz LYPJQVIUNBSBQY-KHQFGBGNSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@H]1CCC[C@H]2OCC[C@@H]21)c1cn[n-]n1 ZINC000126519683 182333343 /nfs/dbraw/zinc/33/33/43/182333343.db2.gz LYPJQVIUNBSBQY-KHQFGBGNSA-N -1 3 236.275 0.492 20 0 BCADHM CCN1C[C@H](C)N(Cc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC000459467362 206128749 /nfs/dbraw/zinc/12/87/49/206128749.db2.gz RTBZIQVXGUTOCA-IUCAKERBSA-N -1 3 239.323 0.425 20 0 BCADHM O=C(Nc1cc(C2CC2)[nH]n1)c1nnc[n-]1 ZINC000272708021 182347919 /nfs/dbraw/zinc/34/79/19/182347919.db2.gz UPSXFWSJUVFFKU-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM O=C(Nc1cc(C2CC2)[nH]n1)c1nc[n-]n1 ZINC000272708021 182347920 /nfs/dbraw/zinc/34/79/20/182347920.db2.gz UPSXFWSJUVFFKU-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM O=C(Nc1cccc2[nH]c(=O)oc21)c1cnn[n-]1 ZINC000356819837 182374129 /nfs/dbraw/zinc/37/41/29/182374129.db2.gz WLPANASSLFOBRN-UHFFFAOYSA-N -1 3 245.198 0.904 20 0 BCADHM O=C(Nc1cccc2[nH]c(=O)oc21)c1c[n-]nn1 ZINC000356819837 182374133 /nfs/dbraw/zinc/37/41/33/182374133.db2.gz WLPANASSLFOBRN-UHFFFAOYSA-N -1 3 245.198 0.904 20 0 BCADHM O=C(Nc1cccc2[nH]c(=O)oc21)c1cn[n-]n1 ZINC000356819837 182374136 /nfs/dbraw/zinc/37/41/36/182374136.db2.gz WLPANASSLFOBRN-UHFFFAOYSA-N -1 3 245.198 0.904 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@H]1CSCN1 ZINC000070203941 182381004 /nfs/dbraw/zinc/38/10/04/182381004.db2.gz IJOJXUIEGPXIBJ-MRVPVSSYSA-N -1 3 224.285 0.993 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1COCCO1 ZINC000048104823 182399636 /nfs/dbraw/zinc/39/96/36/182399636.db2.gz DDTUWVXYMRTMBC-MRVPVSSYSA-N -1 3 224.216 0.141 20 0 BCADHM O=C(Nc1cnn(CC(F)F)c1)c1cnn[n-]1 ZINC000116837468 182395872 /nfs/dbraw/zinc/39/58/72/182395872.db2.gz ATCDDRJHKKVMDM-UHFFFAOYSA-N -1 3 242.189 0.519 20 0 BCADHM O=C(Nc1cnn(CC(F)F)c1)c1c[n-]nn1 ZINC000116837468 182395874 /nfs/dbraw/zinc/39/58/74/182395874.db2.gz ATCDDRJHKKVMDM-UHFFFAOYSA-N -1 3 242.189 0.519 20 0 BCADHM O=C(Nc1cnn(CC(F)F)c1)c1cn[n-]n1 ZINC000116837468 182395875 /nfs/dbraw/zinc/39/58/75/182395875.db2.gz ATCDDRJHKKVMDM-UHFFFAOYSA-N -1 3 242.189 0.519 20 0 BCADHM O=c1nc(CN2Cc3ccccc3C2)[nH][n-]1 ZINC000271657917 183008964 /nfs/dbraw/zinc/00/89/64/183008964.db2.gz WUBQSFCZRTZRGC-UHFFFAOYSA-N -1 3 216.244 0.614 20 0 BCADHM O=c1nc(CS[C@@H]2CCCOC2)[nH][n-]1 ZINC000272500490 183009770 /nfs/dbraw/zinc/00/97/70/183009770.db2.gz UGQCGPUCINWZIA-ZCFIWIBFSA-N -1 3 215.278 0.510 20 0 BCADHM [O-]c1cccc(CNC(CO)CO)c1Cl ZINC000293493635 183033853 /nfs/dbraw/zinc/03/38/53/183033853.db2.gz GRSACKJDFIAPSP-UHFFFAOYSA-N -1 3 231.679 0.488 20 0 BCADHM OCC(F)(F)C[N-]c1nnc(C2CC2)o1 ZINC000278176236 183035679 /nfs/dbraw/zinc/03/56/79/183035679.db2.gz CXZVOLVGONTTSS-UHFFFAOYSA-N -1 3 219.191 0.987 20 0 BCADHM OCCN(c1nc2nncc-2c(O)[n-]1)C1CCC1 ZINC000275968096 183072463 /nfs/dbraw/zinc/07/24/63/183072463.db2.gz HCKPJZZIRUNOCY-UHFFFAOYSA-N -1 3 249.274 0.410 20 0 BCADHM O=c1[n-]c(CN[C@H](CO)C2CCCC2)n[nH]1 ZINC000336670485 183109257 /nfs/dbraw/zinc/10/92/57/183109257.db2.gz HJYHYOLLTRJLDT-MRVPVSSYSA-N -1 3 226.280 0.151 20 0 BCADHM [O-]c1cc(F)cc(CN2C[C@H](O)C[C@H]2CO)c1 ZINC000368641653 183130072 /nfs/dbraw/zinc/13/00/72/183130072.db2.gz HRKFXIUUTOJWNO-CMPLNLGQSA-N -1 3 241.262 0.459 20 0 BCADHM CCCN(C)S(=O)(=O)[N-]c1cncnc1 ZINC000274260673 169084277 /nfs/dbraw/zinc/08/42/77/169084277.db2.gz BYSWXYQGQRXVRC-UHFFFAOYSA-N -1 3 230.293 0.475 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000161214225 169097530 /nfs/dbraw/zinc/09/75/30/169097530.db2.gz RRWKNXZYVXAYSQ-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@H]1C[C@H](C)CCN1 ZINC000161214336 169098000 /nfs/dbraw/zinc/09/80/00/169098000.db2.gz RRWKNXZYVXAYSQ-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM [O-]c1cc(F)cc(CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278410751 183259353 /nfs/dbraw/zinc/25/93/53/183259353.db2.gz PZRZEJMOJOFKQC-PHIMTYICSA-N -1 3 227.235 0.069 20 0 BCADHM O=c1[n-]c(CN2CC[C@@H](O)C23CCCC3)n[nH]1 ZINC000333464156 183307171 /nfs/dbraw/zinc/30/71/71/183307171.db2.gz QCVLXAHALJUGHI-MRVPVSSYSA-N -1 3 238.291 0.390 20 0 BCADHM CCCN(CCO)Cc1nc(CC)cc(=O)[n-]1 ZINC000268237552 169166518 /nfs/dbraw/zinc/16/65/18/169166518.db2.gz QFSWRSREKDWSGC-UHFFFAOYSA-N -1 3 239.319 0.949 20 0 BCADHM CCCN1CCCN(C(=O)CNC(=O)[O-])CC1 ZINC000367534646 169192963 /nfs/dbraw/zinc/19/29/63/169192963.db2.gz XTHHWHKHALEOOM-UHFFFAOYSA-N -1 3 243.307 0.198 20 0 BCADHM CCCNS(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000331751327 169271220 /nfs/dbraw/zinc/27/12/20/169271220.db2.gz KFGNVTVVEBIJMM-UHFFFAOYSA-N -1 3 228.264 0.618 20 0 BCADHM CCCS(=O)(=O)NCc1ncccc1[O-] ZINC000360009873 169332264 /nfs/dbraw/zinc/33/22/64/169332264.db2.gz BOVQXBXQABQPQI-UHFFFAOYSA-N -1 3 230.289 0.617 20 0 BCADHM CCC[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)OC ZINC000356470379 169385992 /nfs/dbraw/zinc/38/59/92/169385992.db2.gz GZGQVLNYYQFIRM-QMMMGPOBSA-N -1 3 247.320 0.503 20 0 BCADHM CC(C)(C)[S@@](=O)CCNC(=O)c1c[n-]nn1 ZINC000112299315 383913653 /nfs/dbraw/zinc/91/36/53/383913653.db2.gz NQLKXNWHJKLFQR-MRXNPFEDSA-N -1 3 244.320 0.082 20 0 BCADHM CC(C)(C)[S@@](=O)CCNC(=O)c1cnn[n-]1 ZINC000112299315 383913660 /nfs/dbraw/zinc/91/36/60/383913660.db2.gz NQLKXNWHJKLFQR-MRXNPFEDSA-N -1 3 244.320 0.082 20 0 BCADHM CC(C)(C)[S@@](=O)CCNC(=O)c1cn[n-]n1 ZINC000112299315 383913663 /nfs/dbraw/zinc/91/36/63/383913663.db2.gz NQLKXNWHJKLFQR-MRXNPFEDSA-N -1 3 244.320 0.082 20 0 BCADHM O=C(NCCc1cccnc1)c1c[n-]nn1 ZINC000088342111 383894660 /nfs/dbraw/zinc/89/46/60/383894660.db2.gz DUPJUXSTSWMKNG-UHFFFAOYSA-N -1 3 217.232 0.172 20 0 BCADHM O=C(NCCc1cccnc1)c1cnn[n-]1 ZINC000088342111 383894664 /nfs/dbraw/zinc/89/46/64/383894664.db2.gz DUPJUXSTSWMKNG-UHFFFAOYSA-N -1 3 217.232 0.172 20 0 BCADHM O=C(NCCc1cccnc1)c1cn[n-]n1 ZINC000088342111 383894672 /nfs/dbraw/zinc/89/46/72/383894672.db2.gz DUPJUXSTSWMKNG-UHFFFAOYSA-N -1 3 217.232 0.172 20 0 BCADHM CC[C@H]1C[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000348183991 383934083 /nfs/dbraw/zinc/93/40/83/383934083.db2.gz NTJXPWYIRCFXFL-XPUUQOCRSA-N -1 3 203.249 0.937 20 0 BCADHM O=C1C[C@@]2(CCN(Cc3ncccc3[O-])C2)CN1 ZINC000558408893 383990635 /nfs/dbraw/zinc/99/06/35/383990635.db2.gz JEBLUCHAWMIJED-ZDUSSCGKSA-N -1 3 247.298 0.499 20 0 BCADHM FC(F)[C@H]1C[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000348220595 383940098 /nfs/dbraw/zinc/94/00/98/383940098.db2.gz ITFNSUWLONBZMA-NJGYIYPDSA-N -1 3 225.202 0.792 20 0 BCADHM C[C@@](O)(CNC(=O)c1c[n-]nn1)c1ccccc1 ZINC000114546528 384043316 /nfs/dbraw/zinc/04/33/16/384043316.db2.gz MMUXNUSMLOYTTR-GFCCVEGCSA-N -1 3 246.270 0.442 20 0 BCADHM C[C@@](O)(CNC(=O)c1cnn[n-]1)c1ccccc1 ZINC000114546528 384043327 /nfs/dbraw/zinc/04/33/27/384043327.db2.gz MMUXNUSMLOYTTR-GFCCVEGCSA-N -1 3 246.270 0.442 20 0 BCADHM C[C@@](O)(CNC(=O)c1cn[n-]n1)c1ccccc1 ZINC000114546528 384043337 /nfs/dbraw/zinc/04/33/37/384043337.db2.gz MMUXNUSMLOYTTR-GFCCVEGCSA-N -1 3 246.270 0.442 20 0 BCADHM CCN(CCO)C(=O)c1cccc(OC)c1[O-] ZINC000037854223 384029046 /nfs/dbraw/zinc/02/90/46/384029046.db2.gz DQZOSFBVGHNYBM-UHFFFAOYSA-N -1 3 239.271 0.855 20 0 BCADHM C[C@](O)(CNC(=O)c1c[n-]nn1)c1ccccc1 ZINC000114546529 384042182 /nfs/dbraw/zinc/04/21/82/384042182.db2.gz MMUXNUSMLOYTTR-LBPRGKRZSA-N -1 3 246.270 0.442 20 0 BCADHM C[C@](O)(CNC(=O)c1cnn[n-]1)c1ccccc1 ZINC000114546529 384042187 /nfs/dbraw/zinc/04/21/87/384042187.db2.gz MMUXNUSMLOYTTR-LBPRGKRZSA-N -1 3 246.270 0.442 20 0 BCADHM C[C@](O)(CNC(=O)c1cn[n-]n1)c1ccccc1 ZINC000114546529 384042190 /nfs/dbraw/zinc/04/21/90/384042190.db2.gz MMUXNUSMLOYTTR-LBPRGKRZSA-N -1 3 246.270 0.442 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC(=O)NC2)c1 ZINC000070162143 384083264 /nfs/dbraw/zinc/08/32/64/384083264.db2.gz GWUSOMJCCLAVKW-SECBINFHSA-N -1 3 248.282 0.709 20 0 BCADHM COC[C@@H](C)CS(=O)(=O)[N-]Cc1ccno1 ZINC000518620758 384097477 /nfs/dbraw/zinc/09/74/77/384097477.db2.gz PUZRHZXLDXSREZ-MRVPVSSYSA-N -1 3 248.304 0.377 20 0 BCADHM CC[C@@H](C)[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000092909999 384153622 /nfs/dbraw/zinc/15/36/22/384153622.db2.gz ZZBLFFHNQAAJOD-MRVPVSSYSA-N -1 3 231.321 0.980 20 0 BCADHM Cc1nc(CNC(=O)c2c([O-])cccc2O)no1 ZINC000092122101 384140838 /nfs/dbraw/zinc/14/08/38/384140838.db2.gz WCXLPAPLPRZAEV-UHFFFAOYSA-N -1 3 249.226 0.719 20 0 BCADHM C[C@@H](NC(=O)c1c([O-])cccc1O)[C@H](C)CO ZINC000092125288 384165965 /nfs/dbraw/zinc/16/59/65/384165965.db2.gz AJHUOIWTJDJJGO-HTQZYQBOSA-N -1 3 239.271 0.845 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000081685066 384197195 /nfs/dbraw/zinc/19/71/95/384197195.db2.gz OAKCPTMIAMRSBW-UHFFFAOYSA-N -1 3 231.321 0.980 20 0 BCADHM Cc1ccc([O-])c(CN(C)CC(N)=O)n1 ZINC000132596764 384197311 /nfs/dbraw/zinc/19/73/11/384197311.db2.gz UQVYSUMNIMRWTE-UHFFFAOYSA-N -1 3 209.249 0.013 20 0 BCADHM CN1C[C@H](NC(=O)c2cccc([O-])c2)CC1=O ZINC000082282518 384221046 /nfs/dbraw/zinc/22/10/46/384221046.db2.gz GAGOUYOHDWWUDH-SECBINFHSA-N -1 3 234.255 0.353 20 0 BCADHM C[C@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)[O-] ZINC000332421050 384311377 /nfs/dbraw/zinc/31/13/77/384311377.db2.gz SFFCUUVVEMUYCR-DTWKUNHWSA-N -1 3 226.276 0.156 20 0 BCADHM CCCCC(=O)Nc1[n-]nnc1C(N)=O ZINC000238225356 384287431 /nfs/dbraw/zinc/28/74/31/384287431.db2.gz OCRUDZVKHWQLNW-UHFFFAOYSA-N -1 3 211.225 0.032 20 0 BCADHM CCCCC(=O)Nc1nn[n-]c1C(N)=O ZINC000238225356 384287437 /nfs/dbraw/zinc/28/74/37/384287437.db2.gz OCRUDZVKHWQLNW-UHFFFAOYSA-N -1 3 211.225 0.032 20 0 BCADHM CCCCC(=O)Nc1n[n-]nc1C(N)=O ZINC000238225356 384287443 /nfs/dbraw/zinc/28/74/43/384287443.db2.gz OCRUDZVKHWQLNW-UHFFFAOYSA-N -1 3 211.225 0.032 20 0 BCADHM C[C@@H](CO)CNC(=O)c1cccc([O-])c1 ZINC000083215583 384288789 /nfs/dbraw/zinc/28/87/89/384288789.db2.gz FQLHCYRGWKNRQT-MRVPVSSYSA-N -1 3 209.245 0.750 20 0 BCADHM COC(=O)[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC000094090286 384290889 /nfs/dbraw/zinc/29/08/89/384290889.db2.gz NEKCCLAHDAJXOJ-QMMMGPOBSA-N -1 3 237.255 0.931 20 0 BCADHM CC[C@@](C)(C[N-]S(=O)(=O)c1c[nH]cn1)OC ZINC000323168697 384303060 /nfs/dbraw/zinc/30/30/60/384303060.db2.gz VNNWRXZCRGBCJO-VIFPVBQESA-N -1 3 247.320 0.503 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C(C)C)nn1 ZINC000095088547 384361429 /nfs/dbraw/zinc/36/14/29/384361429.db2.gz BNRISXJXPOCRIM-UHFFFAOYSA-N -1 3 215.278 0.472 20 0 BCADHM Cc1cc(C)cc(NC([O-])=NOCC(N)=O)c1 ZINC000121201022 384402952 /nfs/dbraw/zinc/40/29/52/384402952.db2.gz PVLPGQSNUKCOJB-UHFFFAOYSA-N -1 3 237.259 0.842 20 0 BCADHM Cc1cc(C)cc(NC(=O)[N-]OCC(N)=O)c1 ZINC000121201022 384402955 /nfs/dbraw/zinc/40/29/55/384402955.db2.gz PVLPGQSNUKCOJB-UHFFFAOYSA-N -1 3 237.259 0.842 20 0 BCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000561092025 384491313 /nfs/dbraw/zinc/49/13/13/384491313.db2.gz PYPNLUFLSPLOCQ-SFYZADRCSA-N -1 3 234.255 0.842 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccccn1 ZINC000176052681 384534207 /nfs/dbraw/zinc/53/42/07/384534207.db2.gz LQFVKNOAKJQGIC-UHFFFAOYSA-N -1 3 246.226 0.844 20 0 BCADHM O=C([O-])CN1CCN(Cc2ccncc2)CC1 ZINC000019795342 384542325 /nfs/dbraw/zinc/54/23/25/384542325.db2.gz MYLDVILRKRFIRL-UHFFFAOYSA-N -1 3 235.287 0.284 20 0 BCADHM Cc1ccc([O-])c(CN2CCCC[C@@H]2C(N)=O)n1 ZINC000162007630 384558959 /nfs/dbraw/zinc/55/89/59/384558959.db2.gz RWKSZPNXXPDPPE-LLVKDONJSA-N -1 3 249.314 0.935 20 0 BCADHM CCC[C@H](CC)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000123688990 384580129 /nfs/dbraw/zinc/58/01/29/384580129.db2.gz IPXLZKLHGWTDHF-YUMQZZPRSA-N -1 3 241.291 0.279 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000042208572 384631448 /nfs/dbraw/zinc/63/14/48/384631448.db2.gz ZYBDCLILWUXRFC-MRVPVSSYSA-N -1 3 237.255 0.992 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)[C@@H]1CCCCO1 ZINC000272133351 384669593 /nfs/dbraw/zinc/66/95/93/384669593.db2.gz NBMCVYOUJROMFJ-APPZFPTMSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)[C@@H]1CCCCO1 ZINC000272133351 384669598 /nfs/dbraw/zinc/66/95/98/384669598.db2.gz NBMCVYOUJROMFJ-APPZFPTMSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CCCCO1 ZINC000272133351 384669602 /nfs/dbraw/zinc/66/96/02/384669602.db2.gz NBMCVYOUJROMFJ-APPZFPTMSA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@@H](CO)NC(=O)c1c([O-])cccc1O ZINC000185200173 384690579 /nfs/dbraw/zinc/69/05/79/384690579.db2.gz GCPDATNGCZLTAG-ZETCQYMHSA-N -1 3 225.244 0.599 20 0 BCADHM C[C@@](O)(CNC(=O)c1c[n-]nn1)c1ccco1 ZINC000173690806 384711103 /nfs/dbraw/zinc/71/11/03/384711103.db2.gz ZYJHZJZDJNSSRF-SNVBAGLBSA-N -1 3 236.231 0.035 20 0 BCADHM C[C@@](O)(CNC(=O)c1cnn[n-]1)c1ccco1 ZINC000173690806 384711112 /nfs/dbraw/zinc/71/11/12/384711112.db2.gz ZYJHZJZDJNSSRF-SNVBAGLBSA-N -1 3 236.231 0.035 20 0 BCADHM C[C@@](O)(CNC(=O)c1cn[n-]n1)c1ccco1 ZINC000173690806 384711123 /nfs/dbraw/zinc/71/11/23/384711123.db2.gz ZYJHZJZDJNSSRF-SNVBAGLBSA-N -1 3 236.231 0.035 20 0 BCADHM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C)C1 ZINC000053247253 384776640 /nfs/dbraw/zinc/77/66/40/384776640.db2.gz QIDGQNQFFJQPDQ-SNVBAGLBSA-N -1 3 249.314 0.953 20 0 BCADHM CSCC[C@H](N)C(=O)Nc1ncccc1[O-] ZINC000125563176 384730948 /nfs/dbraw/zinc/73/09/48/384730948.db2.gz FVGBSHCCJZPFPC-ZETCQYMHSA-N -1 3 241.316 0.806 20 0 BCADHM CCC[C@@H](C)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000408152150 384738952 /nfs/dbraw/zinc/73/89/52/384738952.db2.gz WLKKBIMIJIJRQB-NXEZZACHSA-N -1 3 239.319 0.659 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC(C)(CO)CO)c1 ZINC000126111564 384772501 /nfs/dbraw/zinc/77/25/01/384772501.db2.gz QMIKVQPZYNZISW-UHFFFAOYSA-N -1 3 239.271 0.174 20 0 BCADHM O=S(=O)(CCC1CC1)[N-]C1COCCOC1 ZINC000644288325 384800177 /nfs/dbraw/zinc/80/01/77/384800177.db2.gz XOPWTKWVZWMEDZ-UHFFFAOYSA-N -1 3 249.332 0.121 20 0 BCADHM CCOC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000118404805 384838721 /nfs/dbraw/zinc/83/87/21/384838721.db2.gz UZHBRXCEJPUOHL-UHFFFAOYSA-N -1 3 219.196 0.747 20 0 BCADHM O=S(=O)([N-][C@@H]1CC[C@H]2C[C@H]2C1)c1c[nH]cn1 ZINC000403653173 384849064 /nfs/dbraw/zinc/84/90/64/384849064.db2.gz RLZOCHAQGAVIBD-XHNCKOQMSA-N -1 3 241.316 0.877 20 0 BCADHM CCC1(O)CN(C(=O)c2ccccc2[O-])C1 ZINC000084357925 384862635 /nfs/dbraw/zinc/86/26/35/384862635.db2.gz GDXLILVJHCDVNC-UHFFFAOYSA-N -1 3 221.256 0.989 20 0 BCADHM O=c1[n-]c(=O)n(CC2CCC2)cc1Cl ZINC000085633001 384957182 /nfs/dbraw/zinc/95/71/82/384957182.db2.gz BDKFNGYDJIGPDZ-UHFFFAOYSA-N -1 3 214.652 0.990 20 0 BCADHM CC[C@H](CO)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000294131939 384899424 /nfs/dbraw/zinc/89/94/24/384899424.db2.gz OPAOPSUEQFZUQF-SECBINFHSA-N -1 3 248.286 0.801 20 0 BCADHM COC[C@@H]([N-]S(=O)(=O)N(C)C)c1ccco1 ZINC000175358096 384900100 /nfs/dbraw/zinc/90/01/00/384900100.db2.gz KUFDSFGYGRMHIY-MRVPVSSYSA-N -1 3 248.304 0.363 20 0 BCADHM C[C@@H]1CN(c2nc3nncc-3c(O)[n-]2)C[C@@H](C)O1 ZINC000106461758 384917412 /nfs/dbraw/zinc/91/74/12/384917412.db2.gz HERBOLCMCOQSPA-RNFRBKRXSA-N -1 3 249.274 0.260 20 0 BCADHM Oc1[n-]c(N2CCSCC2)nc2nncc1-2 ZINC000106464770 384917471 /nfs/dbraw/zinc/91/74/71/384917471.db2.gz ZQCLFSWGRTXYSY-UHFFFAOYSA-N -1 3 237.288 0.199 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCOCC1 ZINC000255754281 385013741 /nfs/dbraw/zinc/01/37/41/385013741.db2.gz JQOPINBJBGAVSC-UPHRSURJSA-N -1 3 234.255 0.659 20 0 BCADHM CCN(CC(N)=O)C(=O)c1ccc(C)cc1[O-] ZINC000188463462 385054799 /nfs/dbraw/zinc/05/47/99/385054799.db2.gz BYMVBCNHIXHHNJ-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM CCN(CC(N)=O)C(=O)c1ccccc1[O-] ZINC000188463566 385056007 /nfs/dbraw/zinc/05/60/07/385056007.db2.gz LHTUNVMLOMBRLU-UHFFFAOYSA-N -1 3 222.244 0.340 20 0 BCADHM CCN(CC(N)=O)Cc1cc([O-])cc(F)c1 ZINC000188466235 385056172 /nfs/dbraw/zinc/05/61/72/385056172.db2.gz CARRGCDMLALMSR-UHFFFAOYSA-N -1 3 226.251 0.839 20 0 BCADHM CN1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000646921416 385062503 /nfs/dbraw/zinc/06/25/03/385062503.db2.gz AOZIFQWHWBOUOQ-VHSXEESVSA-N -1 3 247.298 0.563 20 0 BCADHM CN(C)CC[N-]S(=O)(=O)c1ccco1 ZINC000188551692 385066404 /nfs/dbraw/zinc/06/64/04/385066404.db2.gz HPPHDGQOOAXIMP-UHFFFAOYSA-N -1 3 218.278 0.120 20 0 BCADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1O)c1ccco1 ZINC000188706404 385084701 /nfs/dbraw/zinc/08/47/01/385084701.db2.gz QWVCMSPRDMVMGY-RKDXNWHRSA-N -1 3 245.300 0.861 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2CCCO2)[n-]1 ZINC000299526434 385073802 /nfs/dbraw/zinc/07/38/02/385073802.db2.gz MFWRUNWYJFDXNK-RXMQYKEDSA-N -1 3 228.277 0.644 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2CCCO2)n1 ZINC000299526434 385073810 /nfs/dbraw/zinc/07/38/10/385073810.db2.gz MFWRUNWYJFDXNK-RXMQYKEDSA-N -1 3 228.277 0.644 20 0 BCADHM CSc1nc(NC(=O)[C@H]2CCCO2)n[n-]1 ZINC000299526434 385073816 /nfs/dbraw/zinc/07/38/16/385073816.db2.gz MFWRUNWYJFDXNK-RXMQYKEDSA-N -1 3 228.277 0.644 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CC[C@H](CO)C1 ZINC000646946394 385080527 /nfs/dbraw/zinc/08/05/27/385080527.db2.gz UVOXLRBXPAOGMP-VIFPVBQESA-N -1 3 236.271 0.171 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1noc2c1CCCC2 ZINC000299107292 385025818 /nfs/dbraw/zinc/02/58/18/385025818.db2.gz WXYCSDCKTKGQBL-UHFFFAOYSA-N -1 3 233.231 0.924 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1ccco1)[C@H](C)CO ZINC000188716394 385083170 /nfs/dbraw/zinc/08/31/70/385083170.db2.gz QXCXBPOTEQQEHV-HTQZYQBOSA-N -1 3 233.289 0.575 20 0 BCADHM CCc1ccc(/C=C/C(=O)[N-]OCC(N)=O)o1 ZINC000128513407 385046236 /nfs/dbraw/zinc/04/62/36/385046236.db2.gz ILMDJOOBBITPMV-AATRIKPKSA-N -1 3 238.243 0.388 20 0 BCADHM C[C@@H](CCCO)[N-]S(=O)(=O)c1ccco1 ZINC000188756598 385088489 /nfs/dbraw/zinc/08/84/89/385088489.db2.gz DHGCAQGEWCDFAL-QMMMGPOBSA-N -1 3 233.289 0.719 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)c2ccco2)CC1 ZINC000188797844 385091554 /nfs/dbraw/zinc/09/15/54/385091554.db2.gz VYIZEHGWVTUEFH-UHFFFAOYSA-N -1 3 245.256 0.264 20 0 BCADHM Cn1nnc2cc([N-]S(C)(=O)=O)ccc21 ZINC000647136060 385092422 /nfs/dbraw/zinc/09/24/22/385092422.db2.gz VWQGCSISBANYKZ-UHFFFAOYSA-N -1 3 226.261 0.340 20 0 BCADHM O=C(CC1OCCCO1)Nc1ncccc1[O-] ZINC000188890532 385101318 /nfs/dbraw/zinc/10/13/18/385101318.db2.gz SKIBVQLYBSFINP-UHFFFAOYSA-N -1 3 238.243 0.879 20 0 BCADHM C[C@H]1C[C@H]1c1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000516899452 385106015 /nfs/dbraw/zinc/10/60/15/385106015.db2.gz ORUDHKCVQNQNEZ-NTSWFWBYSA-N -1 3 236.231 0.245 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1O)c1cccc2nn[n-]c21 ZINC000188563949 385189144 /nfs/dbraw/zinc/18/91/44/385189144.db2.gz JUMPDCRQDMWKHX-WPRPVWTQSA-N -1 3 246.270 0.601 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1O)c1cccc2[n-]nnc21 ZINC000188563949 385189149 /nfs/dbraw/zinc/18/91/49/385189149.db2.gz JUMPDCRQDMWKHX-WPRPVWTQSA-N -1 3 246.270 0.601 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1O)c1cccc2n[n-]nc21 ZINC000188563949 385189152 /nfs/dbraw/zinc/18/91/52/385189152.db2.gz JUMPDCRQDMWKHX-WPRPVWTQSA-N -1 3 246.270 0.601 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2CCO[C@H]2C)[n-]c(=O)n1 ZINC000129827150 385189844 /nfs/dbraw/zinc/18/98/44/385189844.db2.gz QFNJSBZORBLBLP-JGVFFNPUSA-N -1 3 237.259 0.398 20 0 BCADHM CCN(CC)CC(=O)[N-]OCc1cccnc1 ZINC000153207334 385240890 /nfs/dbraw/zinc/24/08/90/385240890.db2.gz ANFRMGOJZHEIDY-UHFFFAOYSA-N -1 3 237.303 0.971 20 0 BCADHM Cc1cc(C(=O)N2CC(CC(N)=O)C2)ccc1[O-] ZINC000280474215 385316188 /nfs/dbraw/zinc/31/61/88/385316188.db2.gz JKNIVQLFELHBPN-UHFFFAOYSA-N -1 3 248.282 0.648 20 0 BCADHM CCN1CCCC[C@@H]1CNC(=O)[C@H](C)C(=O)[O-] ZINC000647140418 385262026 /nfs/dbraw/zinc/26/20/26/385262026.db2.gz DFOJIBOVJUZTLB-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM CC(C)CO[N-]C(=O)Cc1cnn(C)c1 ZINC000153607780 385266728 /nfs/dbraw/zinc/26/67/28/385266728.db2.gz ZFSGIHSRSHGFMW-UHFFFAOYSA-N -1 3 211.265 0.666 20 0 BCADHM CSC[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000120135500 385272329 /nfs/dbraw/zinc/27/23/29/385272329.db2.gz YGLDLZIHMSUNNI-RXMQYKEDSA-N -1 3 200.267 0.286 20 0 BCADHM CSC[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000120135500 385272335 /nfs/dbraw/zinc/27/23/35/385272335.db2.gz YGLDLZIHMSUNNI-RXMQYKEDSA-N -1 3 200.267 0.286 20 0 BCADHM CSC[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000120135500 385272339 /nfs/dbraw/zinc/27/23/39/385272339.db2.gz YGLDLZIHMSUNNI-RXMQYKEDSA-N -1 3 200.267 0.286 20 0 BCADHM Cc1ccc([O-])c(CN2CCN(C)CC2)n1 ZINC000154405018 385323243 /nfs/dbraw/zinc/32/32/43/385323243.db2.gz XTLOEHVBFUIUFN-UHFFFAOYSA-N -1 3 221.304 0.843 20 0 BCADHM COC[C@H](O)CCNC(=O)c1ccccc1[O-] ZINC000130952911 385298061 /nfs/dbraw/zinc/29/80/61/385298061.db2.gz XXDJBUPRFMBGKJ-SECBINFHSA-N -1 3 239.271 0.519 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCC(=O)CC1 ZINC000272359127 385300559 /nfs/dbraw/zinc/30/05/59/385300559.db2.gz ZCBQKTYTNKMWPY-UHFFFAOYSA-N -1 3 244.254 0.763 20 0 BCADHM O=C(N[C@H](CO)c1ccccc1)c1c[n-]nn1 ZINC000158146900 385353423 /nfs/dbraw/zinc/35/34/23/385353423.db2.gz LWXFSNSQCLXRKN-SNVBAGLBSA-N -1 3 232.243 0.268 20 0 BCADHM O=C(N[C@H](CO)c1ccccc1)c1cnn[n-]1 ZINC000158146900 385353427 /nfs/dbraw/zinc/35/34/27/385353427.db2.gz LWXFSNSQCLXRKN-SNVBAGLBSA-N -1 3 232.243 0.268 20 0 BCADHM O=C(N[C@H](CO)c1ccccc1)c1cn[n-]n1 ZINC000158146900 385353433 /nfs/dbraw/zinc/35/34/33/385353433.db2.gz LWXFSNSQCLXRKN-SNVBAGLBSA-N -1 3 232.243 0.268 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2COCCO2)n1 ZINC000273512452 385361464 /nfs/dbraw/zinc/36/14/64/385361464.db2.gz PJWBHJNQXGSPHH-VIFPVBQESA-N -1 3 238.243 0.450 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)C[C@H](C)O)n1 ZINC000156360590 385446341 /nfs/dbraw/zinc/44/63/41/385446341.db2.gz WBBXAVMUQLRTIY-QMMMGPOBSA-N -1 3 225.292 0.557 20 0 BCADHM Cc1ccc(NC(=O)C(=O)NC2CC2)c([O-])c1 ZINC000170404521 385430765 /nfs/dbraw/zinc/43/07/65/385430765.db2.gz HUEFTTSHYWZVSU-UHFFFAOYSA-N -1 3 234.255 0.918 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000171179616 385471940 /nfs/dbraw/zinc/47/19/40/385471940.db2.gz VPCZDDQUFPMZSZ-NKWVEPMBSA-N -1 3 236.227 0.535 20 0 BCADHM CN(C)C1(CN=c2nn[n-]n2C)CCCCC1 ZINC000593991893 385591156 /nfs/dbraw/zinc/59/11/56/385591156.db2.gz XJVHAYUEDAAENP-UHFFFAOYSA-N -1 3 238.339 0.308 20 0 BCADHM CCN(C)C(=O)CNCc1nc(C)ccc1[O-] ZINC000229521882 385626921 /nfs/dbraw/zinc/62/69/21/385626921.db2.gz DWHHKGPETMNHTC-UHFFFAOYSA-N -1 3 237.303 0.664 20 0 BCADHM CC[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000066085891 385632903 /nfs/dbraw/zinc/63/29/03/385632903.db2.gz GTPKHXLIHTZANA-SSDOTTSWSA-N -1 3 231.321 0.805 20 0 BCADHM COC(=O)[C@H](C)CNC(=O)c1cccc([O-])c1 ZINC000182292828 385654779 /nfs/dbraw/zinc/65/47/79/385654779.db2.gz IJVGFVYEUXPNPR-MRVPVSSYSA-N -1 3 237.255 0.931 20 0 BCADHM O=C(CNC(=O)c1cccc([O-])c1)NCCF ZINC000281338771 385657911 /nfs/dbraw/zinc/65/79/11/385657911.db2.gz CYWHMOAVUDCFDY-UHFFFAOYSA-N -1 3 240.234 0.208 20 0 BCADHM O=C(CCC1CC1)NCCCc1cc(=O)[nH][n-]1 ZINC000647718286 385664105 /nfs/dbraw/zinc/66/41/05/385664105.db2.gz HNVRUCBLILKBHC-UHFFFAOYSA-N -1 3 237.303 0.949 20 0 BCADHM CN(CCO)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000337502989 385688194 /nfs/dbraw/zinc/68/81/94/385688194.db2.gz MJXWHFMPGMUTDF-UHFFFAOYSA-N -1 3 238.222 0.161 20 0 BCADHM CN(CCO)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000337502989 385688199 /nfs/dbraw/zinc/68/81/99/385688199.db2.gz MJXWHFMPGMUTDF-UHFFFAOYSA-N -1 3 238.222 0.161 20 0 BCADHM CN(CCO)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000337502989 385688204 /nfs/dbraw/zinc/68/82/04/385688204.db2.gz MJXWHFMPGMUTDF-UHFFFAOYSA-N -1 3 238.222 0.161 20 0 BCADHM Cn1nccc1CNCc1ncccc1[O-] ZINC000309571546 385701105 /nfs/dbraw/zinc/70/11/05/385701105.db2.gz NAGWHRJWEDBPDE-UHFFFAOYSA-N -1 3 218.260 0.811 20 0 BCADHM CC(=O)[C@H](C)SCCCOC([O-])=NC(N)=O ZINC000270100910 385670375 /nfs/dbraw/zinc/67/03/75/385670375.db2.gz FIUIOWVYFAMYHX-ZETCQYMHSA-N -1 3 248.304 0.892 20 0 BCADHM CC(=O)[C@H](C)SCCCOC(=O)N=C(N)[O-] ZINC000270100910 385670377 /nfs/dbraw/zinc/67/03/77/385670377.db2.gz FIUIOWVYFAMYHX-ZETCQYMHSA-N -1 3 248.304 0.892 20 0 BCADHM CC(=O)[C@H](C)SCCCOC(=O)[N-]C(N)=O ZINC000270100910 385670381 /nfs/dbraw/zinc/67/03/81/385670381.db2.gz FIUIOWVYFAMYHX-ZETCQYMHSA-N -1 3 248.304 0.892 20 0 BCADHM C[C@@]1(CN=c2ncnc3[nH][n-]cc2-3)CCOC1 ZINC000337619638 385729819 /nfs/dbraw/zinc/72/98/19/385729819.db2.gz QFONWOYUVIIKJQ-NSHDSACASA-N -1 3 233.275 0.565 20 0 BCADHM C[C@H](CO)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000282146748 385736635 /nfs/dbraw/zinc/73/66/35/385736635.db2.gz SJZUWJLSTJEFRL-RXMQYKEDSA-N -1 3 238.222 0.208 20 0 BCADHM C[C@H](CO)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000282146748 385736639 /nfs/dbraw/zinc/73/66/39/385736639.db2.gz SJZUWJLSTJEFRL-RXMQYKEDSA-N -1 3 238.222 0.208 20 0 BCADHM C[C@H](CO)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000282146748 385736643 /nfs/dbraw/zinc/73/66/43/385736643.db2.gz SJZUWJLSTJEFRL-RXMQYKEDSA-N -1 3 238.222 0.208 20 0 BCADHM O=C([O-])C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000309613568 385742821 /nfs/dbraw/zinc/74/28/21/385742821.db2.gz NFKQLAGHSNLNRE-SECBINFHSA-N -1 3 226.276 0.158 20 0 BCADHM Cc1nnc([N-]CC(=O)NCC(F)(F)F)o1 ZINC000283721500 385748438 /nfs/dbraw/zinc/74/84/38/385748438.db2.gz GIMNVCMEYYVEEQ-UHFFFAOYSA-N -1 3 238.169 0.468 20 0 BCADHM C[C@H](O)CN(C)C(=O)c1c([O-])cccc1O ZINC000230722567 385752756 /nfs/dbraw/zinc/75/27/56/385752756.db2.gz QRYSLWDCUWJRSY-ZETCQYMHSA-N -1 3 225.244 0.551 20 0 BCADHM COC(=O)N[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000270961836 385764059 /nfs/dbraw/zinc/76/40/59/385764059.db2.gz YYTUOPOVXKCYCN-LURJTMIESA-N -1 3 239.231 0.470 20 0 BCADHM O=C(NC(CF)CF)c1ccc2n[n-]nc2c1 ZINC000452329370 385724869 /nfs/dbraw/zinc/72/48/69/385724869.db2.gz ROBUUISMOAONRB-UHFFFAOYSA-N -1 3 240.213 0.995 20 0 BCADHM Cc1ccc([O-])c(CN2CC(=O)NCC2(C)C)n1 ZINC000282757697 385785452 /nfs/dbraw/zinc/78/54/52/385785452.db2.gz OOBJPVMWGKNQQZ-UHFFFAOYSA-N -1 3 249.314 0.806 20 0 BCADHM CC(=O)NCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647800336 385803431 /nfs/dbraw/zinc/80/34/31/385803431.db2.gz XJBIANXBUUQYHQ-UHFFFAOYSA-N -1 3 248.242 0.343 20 0 BCADHM COCCO[N-]C(=O)C=Cc1c[nH]cn1 ZINC000492865052 533146687 /nfs/dbraw/zinc/14/66/87/533146687.db2.gz OAHRSCPZRRYKQL-IHWYPQMZSA-N -1 3 211.221 0.117 20 0 BCADHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2c[n-]nn2)C1(C)C ZINC000271814779 385852950 /nfs/dbraw/zinc/85/29/50/385852950.db2.gz FQTNVZHHHUXOEE-FTLITQJKSA-N -1 3 238.291 0.594 20 0 BCADHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cnn[n-]2)C1(C)C ZINC000271814779 385852953 /nfs/dbraw/zinc/85/29/53/385852953.db2.gz FQTNVZHHHUXOEE-FTLITQJKSA-N -1 3 238.291 0.594 20 0 BCADHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cn[n-]n2)C1(C)C ZINC000271814779 385852956 /nfs/dbraw/zinc/85/29/56/385852956.db2.gz FQTNVZHHHUXOEE-FTLITQJKSA-N -1 3 238.291 0.594 20 0 BCADHM Cc1ccc([O-])c(CN2CCOC[C@H](O)C2)n1 ZINC000294808922 385897042 /nfs/dbraw/zinc/89/70/42/385897042.db2.gz NPMYZTUXCLIIGO-SNVBAGLBSA-N -1 3 238.287 0.289 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)O)c(F)c1 ZINC000123628957 385898231 /nfs/dbraw/zinc/89/82/31/385898231.db2.gz RGVADLFMTNVNND-MRVPVSSYSA-N -1 3 247.291 0.793 20 0 BCADHM CC(C)c1nccn1Cc1nc(=O)[n-][nH]1 ZINC000272531307 385910166 /nfs/dbraw/zinc/91/01/66/385910166.db2.gz YZJLGSOVWUJSAC-UHFFFAOYSA-N -1 3 207.237 0.466 20 0 BCADHM Cc1nc(C)c(CC(=O)N2CC(C)C2)c(=O)[n-]1 ZINC000338192213 385912052 /nfs/dbraw/zinc/91/20/52/385912052.db2.gz QBGTTYXBGNOQCB-UHFFFAOYSA-N -1 3 235.287 0.820 20 0 BCADHM C[C@H]1CCSCCN1Cc1nc(=O)n(C)[n-]1 ZINC000335034098 385923732 /nfs/dbraw/zinc/92/37/32/385923732.db2.gz PNSMEBMQKPNHSL-QMMMGPOBSA-N -1 3 242.348 0.436 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000232433115 385864951 /nfs/dbraw/zinc/86/49/51/385864951.db2.gz OCHXAESRVYFWHS-ZCFIWIBFSA-N -1 3 239.227 0.389 20 0 BCADHM CO[C@]1(C)C[C@H](NCc2n[nH]c(=O)[n-]2)C1(C)C ZINC000331778659 385935834 /nfs/dbraw/zinc/93/58/34/385935834.db2.gz NGMBYEGDNQKARD-WRWORJQWSA-N -1 3 240.307 0.804 20 0 BCADHM Cc1cc(C(=O)NC[C@H](C)O)ccc1[O-] ZINC000226954401 385969957 /nfs/dbraw/zinc/96/99/57/385969957.db2.gz VAIGAHZWQFHGQX-QMMMGPOBSA-N -1 3 209.245 0.811 20 0 BCADHM Cc1ncc(CNC(=O)c2ccncc2)c(=O)[n-]1 ZINC000345102589 385997866 /nfs/dbraw/zinc/99/78/66/385997866.db2.gz RQBVZJHYOXUESJ-UHFFFAOYSA-N -1 3 244.254 0.816 20 0 BCADHM Cc1ncc(CNC(=O)Cn2cccn2)c(=O)[n-]1 ZINC000345112687 385999884 /nfs/dbraw/zinc/99/98/84/385999884.db2.gz QVWZMGIBOVAOAE-UHFFFAOYSA-N -1 3 247.258 0.004 20 0 BCADHM CO[C@@H](C)CN(C)c1nc2nncc-2c(O)[n-]1 ZINC000286226553 386010703 /nfs/dbraw/zinc/01/07/03/386010703.db2.gz CESPCKXNIBRKQP-LURJTMIESA-N -1 3 237.263 0.530 20 0 BCADHM CC(C)[C@](C)(O)C(=O)[N-]c1nncn1C1CC1 ZINC000331813422 386016484 /nfs/dbraw/zinc/01/64/84/386016484.db2.gz XXXPRXXSUAUWCI-NSHDSACASA-N -1 3 238.291 0.959 20 0 BCADHM CN(C)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000334422351 386028480 /nfs/dbraw/zinc/02/84/80/386028480.db2.gz DREKVNVLIUHJCM-UHFFFAOYSA-N -1 3 208.196 0.799 20 0 BCADHM CN(C)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000334422351 386028484 /nfs/dbraw/zinc/02/84/84/386028484.db2.gz DREKVNVLIUHJCM-UHFFFAOYSA-N -1 3 208.196 0.799 20 0 BCADHM CN(C)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000334422351 386028488 /nfs/dbraw/zinc/02/84/88/386028488.db2.gz DREKVNVLIUHJCM-UHFFFAOYSA-N -1 3 208.196 0.799 20 0 BCADHM COC[C@@H](CO)NCc1nc(C)ccc1[O-] ZINC000234875151 386111778 /nfs/dbraw/zinc/11/17/78/386111778.db2.gz JQRJWOKRZIQFHA-SECBINFHSA-N -1 3 226.276 0.193 20 0 BCADHM COC[C@H](CO)NC(=O)c1cccc([O-])c1 ZINC000234766346 386096587 /nfs/dbraw/zinc/09/65/87/386096587.db2.gz YXOUMVPITJSSNC-VIFPVBQESA-N -1 3 225.244 0.129 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)c1 ZINC000334473939 386145710 /nfs/dbraw/zinc/14/57/10/386145710.db2.gz LXTXHKBTRGNDQI-SFYZADRCSA-N -1 3 247.295 0.589 20 0 BCADHM COC(=O)c1cnc(SCCO)[n-]1 ZINC000188058091 386157783 /nfs/dbraw/zinc/15/77/83/386157783.db2.gz VKIJHWVUCOSVQD-UHFFFAOYSA-N -1 3 202.235 0.281 20 0 BCADHM C[C@@](O)(C(=O)Nc1ncccc1[O-])C1CC1 ZINC000288044455 386164031 /nfs/dbraw/zinc/16/40/31/386164031.db2.gz XMLRHYZWVQRMCG-NSHDSACASA-N -1 3 222.244 0.887 20 0 BCADHM CSc1nnc(NC(=O)COC(C)C)[n-]1 ZINC000263884173 386189137 /nfs/dbraw/zinc/18/91/37/386189137.db2.gz VLSKWUKYQRDEPP-UHFFFAOYSA-N -1 3 230.293 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)COC(C)C)n1 ZINC000263884173 386189143 /nfs/dbraw/zinc/18/91/43/386189143.db2.gz VLSKWUKYQRDEPP-UHFFFAOYSA-N -1 3 230.293 0.890 20 0 BCADHM CSc1nc(NC(=O)COC(C)C)n[n-]1 ZINC000263884173 386189146 /nfs/dbraw/zinc/18/91/46/386189146.db2.gz VLSKWUKYQRDEPP-UHFFFAOYSA-N -1 3 230.293 0.890 20 0 BCADHM O=C([N-]c1nncs1)c1nccn2ccnc12 ZINC000339005966 386204430 /nfs/dbraw/zinc/20/44/30/386204430.db2.gz JTGMBOOSQDKWMS-UHFFFAOYSA-N -1 3 246.255 0.833 20 0 BCADHM CO[C@@H](CNC(=O)c1c[n-]nn1)CC(C)C ZINC000416264015 386250169 /nfs/dbraw/zinc/25/01/69/386250169.db2.gz STHCUODVEVVRHR-MRVPVSSYSA-N -1 3 226.280 0.596 20 0 BCADHM CO[C@@H](CNC(=O)c1cnn[n-]1)CC(C)C ZINC000416264015 386250171 /nfs/dbraw/zinc/25/01/71/386250171.db2.gz STHCUODVEVVRHR-MRVPVSSYSA-N -1 3 226.280 0.596 20 0 BCADHM CO[C@@H](CNC(=O)c1cn[n-]n1)CC(C)C ZINC000416264015 386250175 /nfs/dbraw/zinc/25/01/75/386250175.db2.gz STHCUODVEVVRHR-MRVPVSSYSA-N -1 3 226.280 0.596 20 0 BCADHM COc1ncnc(OC)c1C(=O)[N-]OC(C)C ZINC000296737301 386197944 /nfs/dbraw/zinc/19/79/44/386197944.db2.gz ANIMRKXWUGYQQT-UHFFFAOYSA-N -1 3 241.247 0.564 20 0 BCADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000297834386 386281973 /nfs/dbraw/zinc/28/19/73/386281973.db2.gz QVVGRGDQXIQHIQ-RITPCOANSA-N -1 3 237.263 0.134 20 0 BCADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000297834386 386281976 /nfs/dbraw/zinc/28/19/76/386281976.db2.gz QVVGRGDQXIQHIQ-RITPCOANSA-N -1 3 237.263 0.134 20 0 BCADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000297834386 386281983 /nfs/dbraw/zinc/28/19/83/386281983.db2.gz QVVGRGDQXIQHIQ-RITPCOANSA-N -1 3 237.263 0.134 20 0 BCADHM Cn1nccc1CN[C@]1(C(=O)[O-])CCSC1 ZINC000336652307 386266432 /nfs/dbraw/zinc/26/64/32/386266432.db2.gz BPWMVGLWAOAYKS-SNVBAGLBSA-N -1 3 241.316 0.470 20 0 BCADHM CCN(C)C(=O)C[N-]C(=O)C(C)(F)F ZINC000289195139 386272781 /nfs/dbraw/zinc/27/27/81/386272781.db2.gz KXWDNHVUWULBCF-UHFFFAOYSA-N -1 3 208.208 0.236 20 0 BCADHM CCOCC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000339173864 386277285 /nfs/dbraw/zinc/27/72/85/386277285.db2.gz JYUVSPBYDSKEEA-UHFFFAOYSA-N -1 3 248.279 0.536 20 0 BCADHM CCCS(=O)(=O)[N-][C@@H](CC1CC1)C(=O)OC ZINC000416596166 386343827 /nfs/dbraw/zinc/34/38/27/386343827.db2.gz XWRGQZWWXYSFEE-VIFPVBQESA-N -1 3 249.332 0.658 20 0 BCADHM CC[C@H](COC)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000265657244 386357328 /nfs/dbraw/zinc/35/73/28/386357328.db2.gz QDQAYUWGGRRZNV-MRVPVSSYSA-N -1 3 247.320 0.123 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CC[C@@H](O)C1)c1ccco1 ZINC000276749323 386372880 /nfs/dbraw/zinc/37/28/80/386372880.db2.gz SQWYWWBRXNSLQA-RKDXNWHRSA-N -1 3 245.300 0.719 20 0 BCADHM C[C@H](CO)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000265846778 386379793 /nfs/dbraw/zinc/37/97/93/386379793.db2.gz VLGJCZWLWVTDJH-SSDOTTSWSA-N -1 3 242.250 0.711 20 0 BCADHM CC[C@H](C[N-]S(=O)(=O)c1ccco1)OC ZINC000289599047 386331298 /nfs/dbraw/zinc/33/12/98/386331298.db2.gz RMRDRWRBQSYIDQ-MRVPVSSYSA-N -1 3 233.289 0.983 20 0 BCADHM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)C1CC1 ZINC000416575641 386331606 /nfs/dbraw/zinc/33/16/06/386331606.db2.gz BKKGVTVVAAGXMX-SECBINFHSA-N -1 3 247.316 0.410 20 0 BCADHM Cn1ccc(CNC(=O)Cc2cncc([O-])c2)n1 ZINC000519424029 386440631 /nfs/dbraw/zinc/44/06/31/386440631.db2.gz SADRXSYICGAVJD-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM Cc1ncc(CNCc2cnc(C)[n-]c2=O)n1C ZINC000519426911 386444080 /nfs/dbraw/zinc/44/40/80/386444080.db2.gz RYMFVFBWEAINRI-UHFFFAOYSA-N -1 3 247.302 0.822 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@H](O)C[C@H]2C)n1 ZINC000336720091 386450221 /nfs/dbraw/zinc/45/02/21/386450221.db2.gz YAOFEFSUYGOJTP-PSASIEDQSA-N -1 3 237.303 0.700 20 0 BCADHM COC[C@](C)(NCc1cn(C)nc1C)C(=O)[O-] ZINC000417578128 386403075 /nfs/dbraw/zinc/40/30/75/386403075.db2.gz KWYVLELAKSCFJN-NSHDSACASA-N -1 3 241.291 0.308 20 0 BCADHM CC[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1 ZINC000347441686 386403867 /nfs/dbraw/zinc/40/38/67/386403867.db2.gz PQIUAYYCOIUGBD-MRVPVSSYSA-N -1 3 212.297 0.586 20 0 BCADHM COCC1(c2nc(-c3cc(=O)[n-]cn3)no2)CC1 ZINC000351366086 386406667 /nfs/dbraw/zinc/40/66/67/386406667.db2.gz GCVOAGRFKWXNCV-UHFFFAOYSA-N -1 3 248.242 0.910 20 0 BCADHM CN(Cc1ncc[nH]1)C(=O)Cc1cncc([O-])c1 ZINC000519539467 386487357 /nfs/dbraw/zinc/48/73/57/386487357.db2.gz ALFKOSBTNDEFFE-UHFFFAOYSA-N -1 3 246.270 0.711 20 0 BCADHM Cc1cnc(C(=O)N2CCNC(C)(C)C2)c([O-])c1 ZINC000408370981 386490640 /nfs/dbraw/zinc/49/06/40/386490640.db2.gz SDIKVKNOZBOHPX-UHFFFAOYSA-N -1 3 249.314 0.920 20 0 BCADHM COC[C@@H](CNCc1nc(C)ccc1[O-])OC ZINC000227707004 386505351 /nfs/dbraw/zinc/50/53/51/386505351.db2.gz MSEOZKDWMFEVME-SNVBAGLBSA-N -1 3 240.303 0.847 20 0 BCADHM O=C1CN(Cc2nc(-c3ccco3)no2)C(=O)[N-]1 ZINC000340662090 386510901 /nfs/dbraw/zinc/51/09/01/386510901.db2.gz TXYKIZAVQCHEES-UHFFFAOYSA-N -1 3 248.198 0.381 20 0 BCADHM COC(=O)C[C@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000267229866 386515516 /nfs/dbraw/zinc/51/55/16/386515516.db2.gz YZQJYHYPMZTDPD-BYPYZUCNSA-N -1 3 245.172 0.955 20 0 BCADHM C[C@H](C[N-]S(=O)(=O)c1ccn(C)n1)C1CC1 ZINC000645489488 386525220 /nfs/dbraw/zinc/52/52/20/386525220.db2.gz IAHSUNLDAOLFJH-MRVPVSSYSA-N -1 3 243.332 0.745 20 0 BCADHM O=C(NCc1ccccn1)c1c[n-]nn1 ZINC000048888974 386453946 /nfs/dbraw/zinc/45/39/46/386453946.db2.gz TWIGTDGTDZVZDA-UHFFFAOYSA-N -1 3 203.205 0.130 20 0 BCADHM O=C(NCc1ccccn1)c1cnn[n-]1 ZINC000048888974 386453950 /nfs/dbraw/zinc/45/39/50/386453950.db2.gz TWIGTDGTDZVZDA-UHFFFAOYSA-N -1 3 203.205 0.130 20 0 BCADHM O=C(NCc1ccccn1)c1cn[n-]n1 ZINC000048888974 386453952 /nfs/dbraw/zinc/45/39/52/386453952.db2.gz TWIGTDGTDZVZDA-UHFFFAOYSA-N -1 3 203.205 0.130 20 0 BCADHM Cc1ccc(NC(=O)c2cnn[n-]2)nc1 ZINC000048890983 386454200 /nfs/dbraw/zinc/45/42/00/386454200.db2.gz CBWZLFVPHAXBHL-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1ccc(NC(=O)c2c[n-]nn2)nc1 ZINC000048890983 386454205 /nfs/dbraw/zinc/45/42/05/386454205.db2.gz CBWZLFVPHAXBHL-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1ccc(NC(=O)c2cn[n-]n2)nc1 ZINC000048890983 386454206 /nfs/dbraw/zinc/45/42/06/386454206.db2.gz CBWZLFVPHAXBHL-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CC2(C)CCC2)c1 ZINC000267754632 386580977 /nfs/dbraw/zinc/58/09/77/386580977.db2.gz MWHPODDKNCLQPX-UHFFFAOYSA-N -1 3 243.332 0.889 20 0 BCADHM CC[S@](=O)CC(=O)Nc1nc(C)ccc1[O-] ZINC000278774268 386580955 /nfs/dbraw/zinc/58/09/55/386580955.db2.gz NTVULSWZUSKUTQ-INIZCTEOSA-N -1 3 242.300 0.803 20 0 BCADHM CCC1(C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000267824870 386590794 /nfs/dbraw/zinc/59/07/94/386590794.db2.gz YQAWRVMOCPUIJK-UHFFFAOYSA-N -1 3 243.332 0.889 20 0 BCADHM COc1nc(NC(=O)[C@H]2CC23CC3)n[n-]1 ZINC000643340185 386533022 /nfs/dbraw/zinc/53/30/22/386533022.db2.gz WYAQPAUAKZUCDE-RXMQYKEDSA-N -1 3 208.221 0.552 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CC23CC3)[n-]1 ZINC000643340185 386533032 /nfs/dbraw/zinc/53/30/32/386533032.db2.gz WYAQPAUAKZUCDE-RXMQYKEDSA-N -1 3 208.221 0.552 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CC23CC3)n1 ZINC000643340185 386533037 /nfs/dbraw/zinc/53/30/37/386533037.db2.gz WYAQPAUAKZUCDE-RXMQYKEDSA-N -1 3 208.221 0.552 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000335405940 386562479 /nfs/dbraw/zinc/56/24/79/386562479.db2.gz BPIRUSMPROEAON-AYMMMOKOSA-N -1 3 241.316 0.497 20 0 BCADHM CCC[C@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000645429033 386653041 /nfs/dbraw/zinc/65/30/41/386653041.db2.gz LZPWKQHMXVJGOZ-QMMMGPOBSA-N -1 3 231.321 0.887 20 0 BCADHM O=C(c1cccc([O-])c1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328678689 386610563 /nfs/dbraw/zinc/61/05/63/386610563.db2.gz MNYKDIRJOWOPSP-TXEJJXNPSA-N -1 3 249.266 0.632 20 0 BCADHM CC[C@H](Sc1n[n-]c(COC)n1)C(=O)OC ZINC000268537698 386660621 /nfs/dbraw/zinc/66/06/21/386660621.db2.gz LMMUAZOAKBOEBV-LURJTMIESA-N -1 3 245.304 0.995 20 0 BCADHM Cc1cc(C(=O)NCC2CC2)[n-]c(=O)n1 ZINC000268632665 386672522 /nfs/dbraw/zinc/67/25/22/386672522.db2.gz MDQYWILJGBZASS-UHFFFAOYSA-N -1 3 207.233 0.630 20 0 BCADHM Cc1nnsc1C(=O)[N-]c1cnns1 ZINC000357123530 386723641 /nfs/dbraw/zinc/72/36/41/386723641.db2.gz WYJZMPQOGWKXFW-UHFFFAOYSA-N -1 3 227.274 0.950 20 0 BCADHM COCC(=O)CSc1ncc(C(=O)OC)[n-]1 ZINC000279905410 386753905 /nfs/dbraw/zinc/75/39/05/386753905.db2.gz JJWVRPMZFHYAQU-UHFFFAOYSA-N -1 3 244.272 0.504 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)c1ccon1 ZINC000340846683 386775550 /nfs/dbraw/zinc/77/55/50/386775550.db2.gz KQGRFBGFJHVTSO-LURJTMIESA-N -1 3 242.260 0.437 20 0 BCADHM CC(C)(O)CC(=O)Nc1ncccc1[O-] ZINC000280406215 386812348 /nfs/dbraw/zinc/81/23/48/386812348.db2.gz WEZRZWQFQMCUAX-UHFFFAOYSA-N -1 3 210.233 0.887 20 0 BCADHM Cc1nc(C[N-]S(=O)(=O)CC2CC2)no1 ZINC000330115964 386831113 /nfs/dbraw/zinc/83/11/13/386831113.db2.gz UQQPZPIDGFMWTQ-UHFFFAOYSA-N -1 3 231.277 0.207 20 0 BCADHM COC(=O)C1(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000331438768 386853278 /nfs/dbraw/zinc/85/32/78/386853278.db2.gz DXZDHGVMTFGVSF-UHFFFAOYSA-N -1 3 242.256 0.284 20 0 BCADHM O=S(=O)([N-]Cc1nccs1)[C@@H]1CCOC1 ZINC000357731750 386837474 /nfs/dbraw/zinc/83/74/74/386837474.db2.gz BIZMODHDVBAZET-SSDOTTSWSA-N -1 3 248.329 0.351 20 0 BCADHM O=C(N[C@@H]1CC[S@@](=O)C1)c1ccccc1[O-] ZINC000335742176 386859415 /nfs/dbraw/zinc/85/94/15/386859415.db2.gz XJWPYXGDGKZFJP-VPTHRUTESA-N -1 3 239.296 0.643 20 0 BCADHM O=C(CCc1cncnc1)[N-]OCC1CC1 ZINC000293693419 386860449 /nfs/dbraw/zinc/86/04/49/386860449.db2.gz CMISKWTYQSDEDM-UHFFFAOYSA-N -1 3 221.260 0.867 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)C(C)(F)F)n1 ZINC000293775550 386876828 /nfs/dbraw/zinc/87/68/28/386876828.db2.gz SMUCWZQSHQZTTH-UHFFFAOYSA-N -1 3 248.189 0.114 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)C(C)(F)F)[n-]1 ZINC000293775550 386876831 /nfs/dbraw/zinc/87/68/31/386876831.db2.gz SMUCWZQSHQZTTH-UHFFFAOYSA-N -1 3 248.189 0.114 20 0 BCADHM COC(=O)Cc1nc(NC(=O)C(C)(F)F)n[n-]1 ZINC000293775550 386876834 /nfs/dbraw/zinc/87/68/34/386876834.db2.gz SMUCWZQSHQZTTH-UHFFFAOYSA-N -1 3 248.189 0.114 20 0 BCADHM CO[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1(C)C ZINC000331740794 386887875 /nfs/dbraw/zinc/88/78/75/386887875.db2.gz ANSVUSCXCLRMFE-BQBZGAKWSA-N -1 3 226.280 0.413 20 0 BCADHM O=S(=O)(C[C@H]1CCCO1)[N-]Cc1ccno1 ZINC000330843589 386910998 /nfs/dbraw/zinc/91/09/98/386910998.db2.gz KQOGBJPFQGDWPE-SECBINFHSA-N -1 3 246.288 0.273 20 0 BCADHM Cn1ccnc1[C@H](NC(=O)c1c[n-]nn1)C1CC1 ZINC000341719434 386954173 /nfs/dbraw/zinc/95/41/73/386954173.db2.gz NHLMVCQJORCYJS-SECBINFHSA-N -1 3 246.274 0.419 20 0 BCADHM Cn1ccnc1[C@H](NC(=O)c1cn[n-]n1)C1CC1 ZINC000341719434 386954180 /nfs/dbraw/zinc/95/41/80/386954180.db2.gz NHLMVCQJORCYJS-SECBINFHSA-N -1 3 246.274 0.419 20 0 BCADHM Cn1ccnc1[C@H](NC(=O)c1cnn[n-]1)C1CC1 ZINC000341719434 386954183 /nfs/dbraw/zinc/95/41/83/386954183.db2.gz NHLMVCQJORCYJS-SECBINFHSA-N -1 3 246.274 0.419 20 0 BCADHM CO[N-]C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368263263 386954733 /nfs/dbraw/zinc/95/47/33/386954733.db2.gz UYMJYQPJEVXNSV-SNVBAGLBSA-N -1 3 218.272 0.877 20 0 BCADHM C[C@H](C(=O)[O-])N1CCN(Cc2ccon2)CC1 ZINC000331152017 386975399 /nfs/dbraw/zinc/97/53/99/386975399.db2.gz BXZDIUGUZYPRBV-SECBINFHSA-N -1 3 239.275 0.265 20 0 BCADHM CC[C@@H](C)CS(=O)(=O)[N-]Cc1nc(C)no1 ZINC000331219935 386989281 /nfs/dbraw/zinc/98/92/81/386989281.db2.gz XYGHXNYCSKSERC-SSDOTTSWSA-N -1 3 247.320 0.844 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)c1cscn1 ZINC000645655455 387048112 /nfs/dbraw/zinc/04/81/12/387048112.db2.gz SMGAEWJBEHVEID-UHFFFAOYSA-N -1 3 234.302 0.401 20 0 BCADHM C[C@@H](C[C@H]1CCCO1)NC(=O)c1c[n-]nn1 ZINC000333975535 387048796 /nfs/dbraw/zinc/04/87/96/387048796.db2.gz CTLCURCTOFOAOE-JGVFFNPUSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H](C[C@H]1CCCO1)NC(=O)c1cnn[n-]1 ZINC000333975535 387048800 /nfs/dbraw/zinc/04/88/00/387048800.db2.gz CTLCURCTOFOAOE-JGVFFNPUSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H](C[C@H]1CCCO1)NC(=O)c1cn[n-]n1 ZINC000333975535 387048802 /nfs/dbraw/zinc/04/88/02/387048802.db2.gz CTLCURCTOFOAOE-JGVFFNPUSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1c[n-]nn1 ZINC000333975537 387049453 /nfs/dbraw/zinc/04/94/53/387049453.db2.gz CTLCURCTOFOAOE-YUMQZZPRSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1cnn[n-]1 ZINC000333975537 387049459 /nfs/dbraw/zinc/04/94/59/387049459.db2.gz CTLCURCTOFOAOE-YUMQZZPRSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1cn[n-]n1 ZINC000333975537 387049463 /nfs/dbraw/zinc/04/94/63/387049463.db2.gz CTLCURCTOFOAOE-YUMQZZPRSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H](CO)[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000334052503 387053720 /nfs/dbraw/zinc/05/37/20/387053720.db2.gz KSTPPDAKIYXFCZ-NTSWFWBYSA-N -1 3 230.289 0.595 20 0 BCADHM C[C@@H](CO)[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000334052504 387053883 /nfs/dbraw/zinc/05/38/83/387053883.db2.gz KSTPPDAKIYXFCZ-WDSKDSINSA-N -1 3 230.289 0.595 20 0 BCADHM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1ccco1 ZINC000331302198 387009229 /nfs/dbraw/zinc/00/92/29/387009229.db2.gz RZAHKRBURANYGG-VIFPVBQESA-N -1 3 247.316 0.965 20 0 BCADHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)CCC1CC1 ZINC000333918909 387076359 /nfs/dbraw/zinc/07/63/59/387076359.db2.gz ONHJCWWIYNRLBV-VHSXEESVSA-N -1 3 249.332 0.120 20 0 BCADHM Cn1ncc2c1ncc(C(=O)N1CCC1)c2[O-] ZINC000119119279 387101158 /nfs/dbraw/zinc/10/11/58/387101158.db2.gz XBSURBLRMJRAFO-UHFFFAOYSA-N -1 3 232.243 0.520 20 0 BCADHM Cc1noc([N-]C(=O)[C@H]2COCCO2)c1C ZINC000359756670 387160256 /nfs/dbraw/zinc/16/02/56/387160256.db2.gz AWWMGWDQKCKULO-MRVPVSSYSA-N -1 3 226.232 0.645 20 0 BCADHM CC[C@@H](C)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000336353918 387182220 /nfs/dbraw/zinc/18/22/20/387182220.db2.gz XIUKZVTYAGLEEF-HTQZYQBOSA-N -1 3 211.265 0.021 20 0 BCADHM CC(=O)N1CC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000336358253 387187770 /nfs/dbraw/zinc/18/77/70/387187770.db2.gz BRFDXMLJTVECFF-LLVKDONJSA-N -1 3 248.282 0.743 20 0 BCADHM Cn1cc(S(=O)(=O)[N-]C2CC(C)(F)C2)cn1 ZINC000336303488 387133567 /nfs/dbraw/zinc/13/35/67/387133567.db2.gz GYLJFKSVIUNSGN-UHFFFAOYSA-N -1 3 247.295 0.589 20 0 BCADHM O=S(=O)(NCc1ncccc1[O-])C1CC1 ZINC000360021550 387213012 /nfs/dbraw/zinc/21/30/12/387213012.db2.gz FMXVUHRZTXCGDX-UHFFFAOYSA-N -1 3 228.273 0.369 20 0 BCADHM O=S(=O)([N-][C@H]1CCCOC1)c1cscn1 ZINC000572031136 387223444 /nfs/dbraw/zinc/22/34/44/387223444.db2.gz BSZWFZZCKRKJFL-ZETCQYMHSA-N -1 3 248.329 0.600 20 0 BCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2ccon2)CO1 ZINC000572116983 387238726 /nfs/dbraw/zinc/23/87/26/387238726.db2.gz NMIYPHSMIAVMOO-APPZFPTMSA-N -1 3 246.288 0.271 20 0 BCADHM CS(=O)(=O)[N-][C@H]1COc2cccc(F)c21 ZINC000371732232 387245049 /nfs/dbraw/zinc/24/50/49/387245049.db2.gz HIBKPYMPMUEXAK-ZETCQYMHSA-N -1 3 231.248 0.808 20 0 BCADHM C[C@H](CF)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000360591645 387314496 /nfs/dbraw/zinc/31/44/96/387314496.db2.gz QQMXTGRGCQEUFF-ZCFIWIBFSA-N -1 3 242.254 0.336 20 0 BCADHM Cc1ncc(CNC(=O)[C@]2(C)C[C@H]2F)c(=O)[n-]1 ZINC000424756288 387315156 /nfs/dbraw/zinc/31/51/56/387315156.db2.gz GCPIUYYLESUZKD-LDYMZIIASA-N -1 3 239.250 0.855 20 0 BCADHM Cc1cc(CC(=O)NCc2ncccc2[O-])n[nH]1 ZINC000352499228 387264747 /nfs/dbraw/zinc/26/47/47/387264747.db2.gz DZZXCGGYDDWNIK-UHFFFAOYSA-N -1 3 246.270 0.678 20 0 BCADHM Cc1cc(CC(=O)NCc2ncccc2[O-])[nH]n1 ZINC000352499228 387264753 /nfs/dbraw/zinc/26/47/53/387264753.db2.gz DZZXCGGYDDWNIK-UHFFFAOYSA-N -1 3 246.270 0.678 20 0 BCADHM Cn1cc(CC(=O)NCc2ncccc2[O-])cn1 ZINC000352500779 387266447 /nfs/dbraw/zinc/26/64/47/387266447.db2.gz LLSGTPJPZUBDAY-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM O=C(CCn1ccnc1)NCc1ncccc1[O-] ZINC000352510951 387266847 /nfs/dbraw/zinc/26/68/47/387266847.db2.gz VWJFOWCWNLYOGR-UHFFFAOYSA-N -1 3 246.270 0.690 20 0 BCADHM CCO[C@@H]1C[C@H]1C(=O)NCc1ncccc1[O-] ZINC000352511430 387267057 /nfs/dbraw/zinc/26/70/57/387267057.db2.gz XLUJFBURWBAIOZ-LDYMZIIASA-N -1 3 236.271 0.828 20 0 BCADHM CCO[C@H](C)C(=O)NCc1ncccc1[O-] ZINC000352506157 387267467 /nfs/dbraw/zinc/26/74/67/387267467.db2.gz DZJPMJXFZQKHOT-MRVPVSSYSA-N -1 3 224.260 0.828 20 0 BCADHM Cn1[n-]c(CN[C@@H]2CC3CCC2CC3)nc1=O ZINC000514706579 387274915 /nfs/dbraw/zinc/27/49/15/387274915.db2.gz FVEOAPMTABWFGI-UDNWOFFPSA-N -1 3 236.319 0.777 20 0 BCADHM CC(C)[C@](C)(O)C(=O)[N-]c1nncn1C ZINC000353825003 387279068 /nfs/dbraw/zinc/27/90/68/387279068.db2.gz KDLYYTVKIJFTSK-VIFPVBQESA-N -1 3 212.253 0.161 20 0 BCADHM COC1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000514738896 387285250 /nfs/dbraw/zinc/28/52/50/387285250.db2.gz SPNYFEQAUKZMME-UHFFFAOYSA-N -1 3 249.270 0.530 20 0 BCADHM C[C@@H]1COCCN1C(=O)Cc1cncc([O-])c1 ZINC000514798840 387295569 /nfs/dbraw/zinc/29/55/69/387295569.db2.gz POQBVKMAXUNCSC-SECBINFHSA-N -1 3 236.271 0.577 20 0 BCADHM C[C@H]1C[C@H](C)N1C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000525940510 387298670 /nfs/dbraw/zinc/29/86/70/387298670.db2.gz XBIAKUWWSZTTCS-BQBZGAKWSA-N -1 3 237.259 0.109 20 0 BCADHM COC[C@H](C)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000354312990 387359131 /nfs/dbraw/zinc/35/91/31/387359131.db2.gz VWZDNHYEKGMLID-ZETCQYMHSA-N -1 3 248.279 0.534 20 0 BCADHM COc1nn(C)cc1N=c1ncnc2[nH][n-]cc1-2 ZINC000352611532 387364209 /nfs/dbraw/zinc/36/42/09/387364209.db2.gz CHUJCEUISJCNJC-UHFFFAOYSA-N -1 3 245.246 0.212 20 0 BCADHM O=c1cc(CSc2nc[nH]n2)occ1[O-] ZINC000354153553 387334718 /nfs/dbraw/zinc/33/47/18/387334718.db2.gz JYQYYRKLSVWNMD-UHFFFAOYSA-N -1 3 225.229 0.756 20 0 BCADHM CCc1ccc([O-])c(C(=O)N[C@H](C)C(N)=O)c1 ZINC000354154164 387339270 /nfs/dbraw/zinc/33/92/70/387339270.db2.gz UCLHTHFGZKRHCJ-SSDOTTSWSA-N -1 3 236.271 0.558 20 0 BCADHM CCc1ccc([O-])c(C(=O)N(C)CC(N)=O)c1 ZINC000354274936 387353598 /nfs/dbraw/zinc/35/35/98/387353598.db2.gz ZYQCYUPMBPGCRG-UHFFFAOYSA-N -1 3 236.271 0.512 20 0 BCADHM CCOCCO[C@H](C)C(=O)[N-]c1nncn1C ZINC000361343686 387441501 /nfs/dbraw/zinc/44/15/01/387441501.db2.gz IOFLRVQVYHZRGJ-MRVPVSSYSA-N -1 3 242.279 0.195 20 0 BCADHM COC[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000354971450 387455490 /nfs/dbraw/zinc/45/54/90/387455490.db2.gz ICBIQUPEKFRBEJ-ZETCQYMHSA-N -1 3 234.259 0.723 20 0 BCADHM CC(C)[C@@H](O)C(=O)Nc1ncccc1[O-] ZINC000354608870 387403343 /nfs/dbraw/zinc/40/33/43/387403343.db2.gz CHKWTJFJTFCBFS-MRVPVSSYSA-N -1 3 210.233 0.743 20 0 BCADHM Cn1cc(NC(=O)NCc2ncccc2[O-])nn1 ZINC000361848921 387544167 /nfs/dbraw/zinc/54/41/67/387544167.db2.gz LUZBVGMXDQVPSQ-UHFFFAOYSA-N -1 3 248.246 0.237 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)CC(C)(C)O)n1 ZINC000305068222 387544754 /nfs/dbraw/zinc/54/47/54/387544754.db2.gz SEOCXEAYCUZGSM-UHFFFAOYSA-N -1 3 239.319 0.947 20 0 BCADHM Cc1cc(C(=O)Nc2[n-]nnc2C(N)=O)c(C)o1 ZINC000362423140 387610227 /nfs/dbraw/zinc/61/02/27/387610227.db2.gz MAECTEYGCPKRAI-UHFFFAOYSA-N -1 3 249.230 0.366 20 0 BCADHM Cc1cc(C(=O)Nc2nn[n-]c2C(N)=O)c(C)o1 ZINC000362423140 387610230 /nfs/dbraw/zinc/61/02/30/387610230.db2.gz MAECTEYGCPKRAI-UHFFFAOYSA-N -1 3 249.230 0.366 20 0 BCADHM Cc1cc(C(=O)Nc2n[n-]nc2C(N)=O)c(C)o1 ZINC000362423140 387610234 /nfs/dbraw/zinc/61/02/34/387610234.db2.gz MAECTEYGCPKRAI-UHFFFAOYSA-N -1 3 249.230 0.366 20 0 BCADHM CC(C)(C)C[C@H](CO)NC(=O)c1c[n-]nn1 ZINC000305746968 387552009 /nfs/dbraw/zinc/55/20/09/387552009.db2.gz RECUPYWBUZQFBW-SSDOTTSWSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)(C)C[C@H](CO)NC(=O)c1cnn[n-]1 ZINC000305746968 387552012 /nfs/dbraw/zinc/55/20/12/387552012.db2.gz RECUPYWBUZQFBW-SSDOTTSWSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)(C)C[C@H](CO)NC(=O)c1cn[n-]n1 ZINC000305746968 387552015 /nfs/dbraw/zinc/55/20/15/387552015.db2.gz RECUPYWBUZQFBW-SSDOTTSWSA-N -1 3 226.280 0.332 20 0 BCADHM COc1cccc(C(=O)N[C@H](C)CO)c1[O-] ZINC000035205536 387562177 /nfs/dbraw/zinc/56/21/77/387562177.db2.gz ADULVARQINJDQU-SSDOTTSWSA-N -1 3 225.244 0.511 20 0 BCADHM Cc1cccc(C(=O)NCC(=O)NC2CC2)c1[O-] ZINC000035206806 387562323 /nfs/dbraw/zinc/56/23/23/387562323.db2.gz NRSBPMQJTLGPOS-UHFFFAOYSA-N -1 3 248.282 0.709 20 0 BCADHM O=C(NCc1cc[nH]n1)NCc1ncccc1[O-] ZINC000527456762 387566327 /nfs/dbraw/zinc/56/63/27/387566327.db2.gz WUXKRESSUVVYIF-UHFFFAOYSA-N -1 3 247.258 0.510 20 0 BCADHM CCc1cc(C(=O)NC2(C(N)=O)CC2)ccc1[O-] ZINC000362892809 387667659 /nfs/dbraw/zinc/66/76/59/387667659.db2.gz KNCGHPJBVWBBLJ-UHFFFAOYSA-N -1 3 248.282 0.702 20 0 BCADHM Cc1cc(C(=O)NCC[C@H](C)F)[n-]c(=O)n1 ZINC000356650959 387687602 /nfs/dbraw/zinc/68/76/02/387687602.db2.gz LDIBYWJYSCZKCQ-LURJTMIESA-N -1 3 227.239 0.969 20 0 BCADHM COC(=O)c1ccc(C(=O)Nc2cn[nH]c2)[n-]1 ZINC000431962425 387744598 /nfs/dbraw/zinc/74/45/98/387744598.db2.gz DXVHYPSOPPQCHE-UHFFFAOYSA-N -1 3 234.215 0.777 20 0 BCADHM COC(=O)c1cc(C(=O)Nc2nc[nH]n2)c[n-]1 ZINC000431332052 387700655 /nfs/dbraw/zinc/70/06/55/387700655.db2.gz IMZNYZQUZWSQJI-UHFFFAOYSA-N -1 3 235.203 0.172 20 0 BCADHM CC[C@@H](C)[C@@H](OC)C(=O)[N-]c1nncn1C ZINC000356778865 387719194 /nfs/dbraw/zinc/71/91/94/387719194.db2.gz ZGUCNHFXVZMKQX-HTQZYQBOSA-N -1 3 226.280 0.815 20 0 BCADHM CCOCCOCC(=O)Nc1ncccc1[O-] ZINC000129136087 387764359 /nfs/dbraw/zinc/76/43/59/387764359.db2.gz NKVGVCQSCHNDOR-UHFFFAOYSA-N -1 3 240.259 0.779 20 0 BCADHM Cc1nc([C@@](C)([N-]S(C)(=O)=O)C2CC2)no1 ZINC000432301747 387781207 /nfs/dbraw/zinc/78/12/07/387781207.db2.gz XCPOHRJLWFBAPZ-VIFPVBQESA-N -1 3 245.304 0.552 20 0 BCADHM CO[C@@H](C)C[N-]S(=O)(=O)c1ccccn1 ZINC000442731300 387830788 /nfs/dbraw/zinc/83/07/88/387830788.db2.gz REEXRFHNSDIACF-QMMMGPOBSA-N -1 3 230.289 0.395 20 0 BCADHM CCO[C@@]1(C)C[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000528158452 387859942 /nfs/dbraw/zinc/85/99/42/387859942.db2.gz QPUCQYLABTZVEJ-KCJUWKMLSA-N -1 3 233.275 0.706 20 0 BCADHM C[C@@H](CCO)[N-]S(=O)(=O)c1cscn1 ZINC000645559055 387818158 /nfs/dbraw/zinc/81/81/58/387818158.db2.gz VKEHJSKDOHGBQP-LURJTMIESA-N -1 3 236.318 0.192 20 0 BCADHM COC[C@@H](CCO)NCc1nc(C)ccc1[O-] ZINC000219127186 387891567 /nfs/dbraw/zinc/89/15/67/387891567.db2.gz ZSPFKHSFSDHRLO-SNVBAGLBSA-N -1 3 240.303 0.583 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]CC(C)(C)F)cn1 ZINC000632609083 387884954 /nfs/dbraw/zinc/88/49/54/387884954.db2.gz SZXFTMVAKSHNEV-UHFFFAOYSA-N -1 3 249.311 0.929 20 0 BCADHM CN(C(=O)c1cccc2[n-]nnc21)[C@@H]1CCOC1 ZINC000527107187 387934321 /nfs/dbraw/zinc/93/43/21/387934321.db2.gz FYZHUUBTYNSREX-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM CN(C(=O)c1cccc2nn[n-]c21)[C@@H]1CCOC1 ZINC000527107187 387934325 /nfs/dbraw/zinc/93/43/25/387934325.db2.gz FYZHUUBTYNSREX-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM CN(C(=O)c1cccc2n[n-]nc21)[C@@H]1CCOC1 ZINC000527107187 387934326 /nfs/dbraw/zinc/93/43/26/387934326.db2.gz FYZHUUBTYNSREX-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM Cc1cc(C(=O)NCc2nncn2C)ccc1[O-] ZINC000226715749 387951596 /nfs/dbraw/zinc/95/15/96/387951596.db2.gz XQLYQNRXGACQOK-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000445718970 387959612 /nfs/dbraw/zinc/95/96/12/387959612.db2.gz XZJNRJSJXQYXDB-JGVFFNPUSA-N -1 3 233.289 0.717 20 0 BCADHM CC[C@H](O)CS(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000453012544 387961024 /nfs/dbraw/zinc/96/10/24/387961024.db2.gz CJPALGSLJLJRGR-ZETCQYMHSA-N -1 3 245.304 0.227 20 0 BCADHM CC[C@H](O)CS(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000453012544 387961026 /nfs/dbraw/zinc/96/10/26/387961026.db2.gz CJPALGSLJLJRGR-ZETCQYMHSA-N -1 3 245.304 0.227 20 0 BCADHM Cn1cc(C(=O)C(=O)Nc2ccc([O-])cc2)cn1 ZINC000438955630 387966346 /nfs/dbraw/zinc/96/63/46/387966346.db2.gz CVQMSHDFMXPFFG-UHFFFAOYSA-N -1 3 245.238 0.947 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CCCO1 ZINC000156484175 387984151 /nfs/dbraw/zinc/98/41/51/387984151.db2.gz GJOJCCDWRLMQCX-UHFFFAOYSA-N -1 3 209.201 0.875 20 0 BCADHM CCC(CC)N(CC(=O)NCC(=O)[O-])C1CC1 ZINC000542824594 387984453 /nfs/dbraw/zinc/98/44/53/387984453.db2.gz CHQDAVRAUCSSQF-UHFFFAOYSA-N -1 3 242.319 0.840 20 0 BCADHM COCc1cccc(CNC(=O)c2c[n-]nn2)c1 ZINC000108455468 388024357 /nfs/dbraw/zinc/02/43/57/388024357.db2.gz LXFLHLNLHDJEKO-UHFFFAOYSA-N -1 3 246.270 0.881 20 0 BCADHM COCc1cccc(CNC(=O)c2cnn[n-]2)c1 ZINC000108455468 388024360 /nfs/dbraw/zinc/02/43/60/388024360.db2.gz LXFLHLNLHDJEKO-UHFFFAOYSA-N -1 3 246.270 0.881 20 0 BCADHM COCc1cccc(CNC(=O)c2cn[n-]n2)c1 ZINC000108455468 388024362 /nfs/dbraw/zinc/02/43/62/388024362.db2.gz LXFLHLNLHDJEKO-UHFFFAOYSA-N -1 3 246.270 0.881 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCC[C@@H](O)C2)n[n-]1 ZINC000439745903 388017475 /nfs/dbraw/zinc/01/74/75/388017475.db2.gz PBCMOAATANSFMG-NKWVEPMBSA-N -1 3 240.263 0.303 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCC[C@@H](O)C2)[n-]1 ZINC000439745903 388017479 /nfs/dbraw/zinc/01/74/79/388017479.db2.gz PBCMOAATANSFMG-NKWVEPMBSA-N -1 3 240.263 0.303 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCC[C@@H](O)C2)n1 ZINC000439745903 388017484 /nfs/dbraw/zinc/01/74/84/388017484.db2.gz PBCMOAATANSFMG-NKWVEPMBSA-N -1 3 240.263 0.303 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCCO1 ZINC000119149402 388110412 /nfs/dbraw/zinc/11/04/12/388110412.db2.gz BLTUVJCPPRZYDB-UHFFFAOYSA-N -1 3 218.216 0.735 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCCO1 ZINC000119149402 388110413 /nfs/dbraw/zinc/11/04/13/388110413.db2.gz BLTUVJCPPRZYDB-UHFFFAOYSA-N -1 3 218.216 0.735 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCCO1 ZINC000119149402 388110414 /nfs/dbraw/zinc/11/04/14/388110414.db2.gz BLTUVJCPPRZYDB-UHFFFAOYSA-N -1 3 218.216 0.735 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C1CCCCC1 ZINC000646264507 388172628 /nfs/dbraw/zinc/17/26/28/388172628.db2.gz JOBAFTRDYLEEOW-UHFFFAOYSA-N -1 3 234.263 0.971 20 0 BCADHM O=C(CC1CC1)[N-]c1nnc2[nH]cnn12 ZINC000646264495 388172758 /nfs/dbraw/zinc/17/27/58/388172758.db2.gz IEDLSVPJALJCKH-UHFFFAOYSA-N -1 3 206.209 0.191 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646267927 388173647 /nfs/dbraw/zinc/17/36/47/388173647.db2.gz LXDBAZWUQVCVSX-UHNVWZDZSA-N -1 3 206.209 0.047 20 0 BCADHM CCCCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646269371 388173877 /nfs/dbraw/zinc/17/38/77/388173877.db2.gz YJKDABSYVQUGLF-UHFFFAOYSA-N -1 3 208.225 0.581 20 0 BCADHM CC[C@@H](C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646267352 388173935 /nfs/dbraw/zinc/17/39/35/388173935.db2.gz MXKFKUAFVWQOBI-RXMQYKEDSA-N -1 3 208.225 0.437 20 0 BCADHM CSC1(CNC(=O)c2c[n-]nn2)CCC1 ZINC000194618382 388251591 /nfs/dbraw/zinc/25/15/91/388251591.db2.gz ZNNIBSBQCCESPY-UHFFFAOYSA-N -1 3 226.305 0.820 20 0 BCADHM CSC1(CNC(=O)c2cnn[n-]2)CCC1 ZINC000194618382 388251592 /nfs/dbraw/zinc/25/15/92/388251592.db2.gz ZNNIBSBQCCESPY-UHFFFAOYSA-N -1 3 226.305 0.820 20 0 BCADHM CSC1(CNC(=O)c2cn[n-]n2)CCC1 ZINC000194618382 388251593 /nfs/dbraw/zinc/25/15/93/388251593.db2.gz ZNNIBSBQCCESPY-UHFFFAOYSA-N -1 3 226.305 0.820 20 0 BCADHM C[C@H]1C[C@@H]1c1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000516899457 256532806 /nfs/dbraw/zinc/53/28/06/256532806.db2.gz ORUDHKCVQNQNEZ-WDSKDSINSA-N -1 3 236.231 0.245 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CC[C@H](O)C1 ZINC000092125431 256583452 /nfs/dbraw/zinc/58/34/52/256583452.db2.gz MKOPOCQHXMJBIW-ZETCQYMHSA-N -1 3 223.228 0.305 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1ccco1)[C@@H](C)O ZINC000451884773 388302818 /nfs/dbraw/zinc/30/28/18/388302818.db2.gz DKZGRXOEJRGIMH-SFYZADRCSA-N -1 3 233.289 0.717 20 0 BCADHM O=C(C=CC1CCOCC1)Nc1nnn[n-]1 ZINC000491859850 388325046 /nfs/dbraw/zinc/32/50/46/388325046.db2.gz PWVBDTDERXLIPD-UPHRSURJSA-N -1 3 223.236 0.121 20 0 BCADHM O=C(C=CC1CCOCC1)Nc1nn[n-]n1 ZINC000491859850 388325047 /nfs/dbraw/zinc/32/50/47/388325047.db2.gz PWVBDTDERXLIPD-UPHRSURJSA-N -1 3 223.236 0.121 20 0 BCADHM O=C(/C=C\C1CCOCC1)Nc1nn[n-]n1 ZINC000491859850 388325048 /nfs/dbraw/zinc/32/50/48/388325048.db2.gz PWVBDTDERXLIPD-UPHRSURJSA-N -1 3 223.236 0.121 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)/C=C/C1CC1 ZINC000491930866 388328353 /nfs/dbraw/zinc/32/83/53/388328353.db2.gz YAHNHJKFWLYONR-ORAHPGNNSA-N -1 3 235.287 0.581 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)/C=C\C1CC1 ZINC000491930865 388328533 /nfs/dbraw/zinc/32/85/33/388328533.db2.gz YAHNHJKFWLYONR-LWTINBJPSA-N -1 3 235.287 0.581 20 0 BCADHM O=C(/C=C/c1ccsc1)[N-]OCCO ZINC000491987643 388330627 /nfs/dbraw/zinc/33/06/27/388330627.db2.gz ATWZIZNYLJQOAJ-OWOJBTEDSA-N -1 3 213.258 0.801 20 0 BCADHM CCC[C@H]([N-]S(=O)(=O)C1(C)CC1)C(=O)OC ZINC000451382613 388267744 /nfs/dbraw/zinc/26/77/44/388267744.db2.gz XLWXVPYWHKYYHI-QMMMGPOBSA-N -1 3 249.332 0.800 20 0 BCADHM CSCCO[N-]C(=O)/C=C\c1ccnn1C ZINC000491999466 388331301 /nfs/dbraw/zinc/33/13/01/388331301.db2.gz BJHNCRXXOMSZOW-ARJAWSKDSA-N -1 3 241.316 0.844 20 0 BCADHM O=C(/C=C/c1cscn1)[N-]OCCO ZINC000492010222 388331416 /nfs/dbraw/zinc/33/14/16/388331416.db2.gz UHRHVCZVQACFFL-OWOJBTEDSA-N -1 3 214.246 0.196 20 0 BCADHM O=C(NCC=Cc1cccnc1)c1c[n-]nn1 ZINC000646405898 388350888 /nfs/dbraw/zinc/35/08/88/388350888.db2.gz MPHWDMLCXKBSLX-RQOWECAXSA-N -1 3 229.243 0.643 20 0 BCADHM O=C(NCC=Cc1cccnc1)c1cnn[n-]1 ZINC000646405898 388350890 /nfs/dbraw/zinc/35/08/90/388350890.db2.gz MPHWDMLCXKBSLX-RQOWECAXSA-N -1 3 229.243 0.643 20 0 BCADHM O=C(NCC=Cc1cccnc1)c1cn[n-]n1 ZINC000646405898 388350892 /nfs/dbraw/zinc/35/08/92/388350892.db2.gz MPHWDMLCXKBSLX-RQOWECAXSA-N -1 3 229.243 0.643 20 0 BCADHM CN(CCC(=O)[O-])C(=O)[C@H]1NCCCC1(C)C ZINC000234287828 388354169 /nfs/dbraw/zinc/35/41/69/388354169.db2.gz BYAAIAWSZXHUHJ-SNVBAGLBSA-N -1 3 242.319 0.698 20 0 BCADHM CCC[C@H](CNC(=O)c1c[n-]nn1)OC ZINC000293645324 388356284 /nfs/dbraw/zinc/35/62/84/388356284.db2.gz KARYPWUGFGEBEN-SSDOTTSWSA-N -1 3 212.253 0.350 20 0 BCADHM CCC[C@H](CNC(=O)c1cnn[n-]1)OC ZINC000293645324 388356287 /nfs/dbraw/zinc/35/62/87/388356287.db2.gz KARYPWUGFGEBEN-SSDOTTSWSA-N -1 3 212.253 0.350 20 0 BCADHM CCC[C@H](CNC(=O)c1cn[n-]n1)OC ZINC000293645324 388356290 /nfs/dbraw/zinc/35/62/90/388356290.db2.gz KARYPWUGFGEBEN-SSDOTTSWSA-N -1 3 212.253 0.350 20 0 BCADHM CC[C@@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000524395563 388357211 /nfs/dbraw/zinc/35/72/11/388357211.db2.gz BGSSHGYAAYHNHC-VXNVDRBHSA-N -1 3 225.292 0.661 20 0 BCADHM CC[C@@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000524395560 388357623 /nfs/dbraw/zinc/35/76/23/388357623.db2.gz BGSSHGYAAYHNHC-APPZFPTMSA-N -1 3 225.292 0.661 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC1CC1 ZINC000524409913 388358531 /nfs/dbraw/zinc/35/85/31/388358531.db2.gz WUJRUHMBUZMPOM-VIFPVBQESA-N -1 3 223.276 0.415 20 0 BCADHM O=C(NCc1cccnn1)c1ccc(O)cc1[O-] ZINC000236565224 388380000 /nfs/dbraw/zinc/38/00/00/388380000.db2.gz HGPCOIHDKVFMCO-UHFFFAOYSA-N -1 3 245.238 0.818 20 0 BCADHM O=C(NC[C@@H]1CCCC1(F)F)c1c[n-]nn1 ZINC000335415060 388450532 /nfs/dbraw/zinc/45/05/32/388450532.db2.gz GXVZCKIOQUEWBF-LURJTMIESA-N -1 3 230.218 0.970 20 0 BCADHM O=C(NC[C@@H]1CCCC1(F)F)c1cnn[n-]1 ZINC000335415060 388450535 /nfs/dbraw/zinc/45/05/35/388450535.db2.gz GXVZCKIOQUEWBF-LURJTMIESA-N -1 3 230.218 0.970 20 0 BCADHM O=C(NC[C@@H]1CCCC1(F)F)c1cn[n-]n1 ZINC000335415060 388450537 /nfs/dbraw/zinc/45/05/37/388450537.db2.gz GXVZCKIOQUEWBF-LURJTMIESA-N -1 3 230.218 0.970 20 0 BCADHM COC(=O)NCCNC(=O)c1ccccc1[O-] ZINC000169911790 388466873 /nfs/dbraw/zinc/46/68/73/388466873.db2.gz CKRZOYLHRLVJAE-UHFFFAOYSA-N -1 3 238.243 0.478 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CC=CC1 ZINC000524859547 388412193 /nfs/dbraw/zinc/41/21/93/388412193.db2.gz QIDDJTQVIVXJIZ-JTQLQIEISA-N -1 3 235.287 0.581 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)C1COC1 ZINC000528547251 388545933 /nfs/dbraw/zinc/54/59/33/388545933.db2.gz IMVVOYRVIGTUKW-IBCQBUCCSA-N -1 3 249.332 0.117 20 0 BCADHM O=S(=O)([N-]CC1COC1)c1cccs1 ZINC000528563727 388547144 /nfs/dbraw/zinc/54/71/44/388547144.db2.gz KLYRAUNGCBZZCO-UHFFFAOYSA-N -1 3 233.314 0.673 20 0 BCADHM COC1(C(=O)[N-]c2nncn2C2CC2)CC1 ZINC000648895764 388484329 /nfs/dbraw/zinc/48/43/29/388484329.db2.gz BDJHCUZLASEGHL-UHFFFAOYSA-N -1 3 222.248 0.731 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccsc1 ZINC000135346867 388492677 /nfs/dbraw/zinc/49/26/77/388492677.db2.gz XWCHWEXAAKBENA-UHFFFAOYSA-N -1 3 239.256 0.238 20 0 BCADHM C[C@@H](CO)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000516753694 256801516 /nfs/dbraw/zinc/80/15/16/256801516.db2.gz XQKSDKXDVSAMDJ-LURJTMIESA-N -1 3 237.259 0.170 20 0 BCADHM CC(C)Cc1noc([C@@H](C)[N-]S(C)(=O)=O)n1 ZINC000136389829 388534046 /nfs/dbraw/zinc/53/40/46/388534046.db2.gz BBNDGAQQPKVSOO-SSDOTTSWSA-N -1 3 247.320 0.878 20 0 BCADHM COc1nc(NC(=O)C2CCSCC2)n[n-]1 ZINC000352643798 388536634 /nfs/dbraw/zinc/53/66/34/388536634.db2.gz KMAPKOKVWKZYNJ-UHFFFAOYSA-N -1 3 242.304 0.895 20 0 BCADHM COc1nnc(NC(=O)C2CCSCC2)[n-]1 ZINC000352643798 388536637 /nfs/dbraw/zinc/53/66/37/388536637.db2.gz KMAPKOKVWKZYNJ-UHFFFAOYSA-N -1 3 242.304 0.895 20 0 BCADHM COc1n[n-]c(NC(=O)C2CCSCC2)n1 ZINC000352643798 388536639 /nfs/dbraw/zinc/53/66/39/388536639.db2.gz KMAPKOKVWKZYNJ-UHFFFAOYSA-N -1 3 242.304 0.895 20 0 BCADHM CCO[C@@]1(C)C[C@H]1NC(=O)c1c[n-]nn1 ZINC000529851785 388591347 /nfs/dbraw/zinc/59/13/47/388591347.db2.gz LCZYFAZWCYPEQD-APPZFPTMSA-N -1 3 210.237 0.102 20 0 BCADHM CCO[C@@]1(C)C[C@H]1NC(=O)c1cnn[n-]1 ZINC000529851785 388591348 /nfs/dbraw/zinc/59/13/48/388591348.db2.gz LCZYFAZWCYPEQD-APPZFPTMSA-N -1 3 210.237 0.102 20 0 BCADHM CCO[C@@]1(C)C[C@H]1NC(=O)c1cn[n-]n1 ZINC000529851785 388591350 /nfs/dbraw/zinc/59/13/50/388591350.db2.gz LCZYFAZWCYPEQD-APPZFPTMSA-N -1 3 210.237 0.102 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCC12CC(C1)CO2 ZINC000529867721 388594547 /nfs/dbraw/zinc/59/45/47/388594547.db2.gz GOLTVDNECWZXTI-UHFFFAOYSA-N -1 3 248.282 0.625 20 0 BCADHM CN(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000106363852 388595631 /nfs/dbraw/zinc/59/56/31/388595631.db2.gz ZDLTWLBQCUYNHO-JTQLQIEISA-N -1 3 249.314 0.953 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1c[n-]nn1 ZINC000529988526 388601394 /nfs/dbraw/zinc/60/13/94/388601394.db2.gz WPFSQMJLBYUKCP-JVZYCSMKSA-N -1 3 224.264 0.346 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cnn[n-]1 ZINC000529988526 388601396 /nfs/dbraw/zinc/60/13/96/388601396.db2.gz WPFSQMJLBYUKCP-JVZYCSMKSA-N -1 3 224.264 0.346 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cn[n-]n1 ZINC000529988526 388601399 /nfs/dbraw/zinc/60/13/99/388601399.db2.gz WPFSQMJLBYUKCP-JVZYCSMKSA-N -1 3 224.264 0.346 20 0 BCADHM COC[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000220048940 256865006 /nfs/dbraw/zinc/86/50/06/256865006.db2.gz ZCUBFMZSRVSCFY-SSDOTTSWSA-N -1 3 225.244 0.863 20 0 BCADHM CNC(=O)[C@@H]1CCN(Cc2ncccc2[O-])C1 ZINC000517584771 388554697 /nfs/dbraw/zinc/55/46/97/388554697.db2.gz WSQKLPSCKNLDQO-SECBINFHSA-N -1 3 235.287 0.355 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC000528761952 388569018 /nfs/dbraw/zinc/56/90/18/388569018.db2.gz KHZJJFOLQGCRQL-QHOPCYEYSA-N -1 3 240.307 0.010 20 0 BCADHM COC(=O)c1cccc(CN(C)CC(=O)[O-])c1 ZINC000076561736 388582133 /nfs/dbraw/zinc/58/21/33/388582133.db2.gz NKERGVNLKDCJRL-UHFFFAOYSA-N -1 3 237.255 0.990 20 0 BCADHM CCC[C@H](OCC)C(=O)Nc1n[n-]c(OC)n1 ZINC000528950053 388585026 /nfs/dbraw/zinc/58/50/26/388585026.db2.gz WUZDVISQWUPZOY-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM CCC[C@H](OCC)C(=O)Nc1nnc(OC)[n-]1 ZINC000528950053 388585028 /nfs/dbraw/zinc/58/50/28/388585028.db2.gz WUZDVISQWUPZOY-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM CCC[C@H](OCC)C(=O)Nc1nc(OC)n[n-]1 ZINC000528950053 388585029 /nfs/dbraw/zinc/58/50/29/388585029.db2.gz WUZDVISQWUPZOY-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM O=C([O-])c1cnccc1N1C[C@H](O)C2(CC2)C1 ZINC000522005224 388674057 /nfs/dbraw/zinc/67/40/57/388674057.db2.gz WPYIXBLOCQQQKM-JTQLQIEISA-N -1 3 234.255 0.741 20 0 BCADHM CC[C@@H](F)CN1CC[C@](OC)(C(=O)[O-])C1 ZINC000530168967 388619546 /nfs/dbraw/zinc/61/95/46/388619546.db2.gz GLNFORNSKNDWRX-PSASIEDQSA-N -1 3 219.256 0.910 20 0 BCADHM CC[C@H]1CCC[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC000328607674 388645611 /nfs/dbraw/zinc/64/56/11/388645611.db2.gz LJOSVXIFIMBKII-IUCAKERBSA-N -1 3 224.308 0.777 20 0 BCADHM Cc1ccc(C(=O)NCc2nc[nH]n2)c([O-])c1 ZINC000037920294 388651147 /nfs/dbraw/zinc/65/11/47/388651147.db2.gz JGGHHTVMIJNDFR-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM Cc1ccc(C(=O)NCc2nnc[nH]2)c([O-])c1 ZINC000037920294 388651148 /nfs/dbraw/zinc/65/11/48/388651148.db2.gz JGGHHTVMIJNDFR-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM COCCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522253756 388735920 /nfs/dbraw/zinc/73/59/20/388735920.db2.gz FJDOYXLWMHQRMZ-VIFPVBQESA-N -1 3 241.291 0.041 20 0 BCADHM COCCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522253755 388736165 /nfs/dbraw/zinc/73/61/65/388736165.db2.gz FJDOYXLWMHQRMZ-SECBINFHSA-N -1 3 241.291 0.041 20 0 BCADHM CC[C@@H](OC)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522262973 388739853 /nfs/dbraw/zinc/73/98/53/388739853.db2.gz KYMTWPOYTFPEAF-RKDXNWHRSA-N -1 3 241.291 0.040 20 0 BCADHM O=C(Cc1cncc([O-])c1)Nc1nc[nH]n1 ZINC000553264657 388757581 /nfs/dbraw/zinc/75/75/81/388757581.db2.gz KRIZGQLPROMBEC-UHFFFAOYSA-N -1 3 219.204 0.087 20 0 BCADHM Cc1ccccc1[C@@H](CO)NC(=O)c1c[n-]nn1 ZINC000552330737 388694454 /nfs/dbraw/zinc/69/44/54/388694454.db2.gz HMYBDUKOWBGZDP-LLVKDONJSA-N -1 3 246.270 0.577 20 0 BCADHM Cc1ccccc1[C@@H](CO)NC(=O)c1cnn[n-]1 ZINC000552330737 388694456 /nfs/dbraw/zinc/69/44/56/388694456.db2.gz HMYBDUKOWBGZDP-LLVKDONJSA-N -1 3 246.270 0.577 20 0 BCADHM Cc1ccccc1[C@@H](CO)NC(=O)c1cn[n-]n1 ZINC000552330737 388694457 /nfs/dbraw/zinc/69/44/57/388694457.db2.gz HMYBDUKOWBGZDP-LLVKDONJSA-N -1 3 246.270 0.577 20 0 BCADHM COc1nnc(NC(=O)c2ccc[nH]2)[n-]1 ZINC000126823260 388704784 /nfs/dbraw/zinc/70/47/84/388704784.db2.gz KDYFGWPJTQPQAE-UHFFFAOYSA-N -1 3 207.193 0.394 20 0 BCADHM COc1nc(NC(=O)c2ccc[nH]2)n[n-]1 ZINC000126823260 388704785 /nfs/dbraw/zinc/70/47/85/388704785.db2.gz KDYFGWPJTQPQAE-UHFFFAOYSA-N -1 3 207.193 0.394 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccc[nH]2)n1 ZINC000126823260 388704787 /nfs/dbraw/zinc/70/47/87/388704787.db2.gz KDYFGWPJTQPQAE-UHFFFAOYSA-N -1 3 207.193 0.394 20 0 BCADHM COc1nnc(NC(=O)c2ccoc2)[n-]1 ZINC000126823501 388704799 /nfs/dbraw/zinc/70/47/99/388704799.db2.gz SESXLDKZSZFVIK-UHFFFAOYSA-N -1 3 208.177 0.659 20 0 BCADHM COc1nc(NC(=O)c2ccoc2)n[n-]1 ZINC000126823501 388704800 /nfs/dbraw/zinc/70/48/00/388704800.db2.gz SESXLDKZSZFVIK-UHFFFAOYSA-N -1 3 208.177 0.659 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccoc2)n1 ZINC000126823501 388704802 /nfs/dbraw/zinc/70/48/02/388704802.db2.gz SESXLDKZSZFVIK-UHFFFAOYSA-N -1 3 208.177 0.659 20 0 BCADHM COc1ccc(CNC(=O)c2c[n-]nn2)cc1O ZINC000194185694 388724926 /nfs/dbraw/zinc/72/49/26/388724926.db2.gz QIWDBSCGXNBPMU-UHFFFAOYSA-N -1 3 248.242 0.449 20 0 BCADHM COc1ccc(CNC(=O)c2cnn[n-]2)cc1O ZINC000194185694 388724927 /nfs/dbraw/zinc/72/49/27/388724927.db2.gz QIWDBSCGXNBPMU-UHFFFAOYSA-N -1 3 248.242 0.449 20 0 BCADHM COc1ccc(CNC(=O)c2cn[n-]n2)cc1O ZINC000194185694 388724929 /nfs/dbraw/zinc/72/49/29/388724929.db2.gz QIWDBSCGXNBPMU-UHFFFAOYSA-N -1 3 248.242 0.449 20 0 BCADHM CCNC(=O)CNC(=O)c1ccc([O-])c(C)c1 ZINC000226714670 388727958 /nfs/dbraw/zinc/72/79/58/388727958.db2.gz QAIYTJZVHRLGPE-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM C[C@@H]1OCC[C@@]1(C)NC(=O)c1c[n-]nn1 ZINC000230180448 388819323 /nfs/dbraw/zinc/81/93/23/388819323.db2.gz NYPYOUZLCYLVAC-IMTBSYHQSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H]1OCC[C@@]1(C)NC(=O)c1cnn[n-]1 ZINC000230180448 388819326 /nfs/dbraw/zinc/81/93/26/388819326.db2.gz NYPYOUZLCYLVAC-IMTBSYHQSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H]1OCC[C@@]1(C)NC(=O)c1cn[n-]n1 ZINC000230180448 388819328 /nfs/dbraw/zinc/81/93/28/388819328.db2.gz NYPYOUZLCYLVAC-IMTBSYHQSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H]1OCC[C@]1(C)NC(=O)c1c[n-]nn1 ZINC000230180466 388819547 /nfs/dbraw/zinc/81/95/47/388819547.db2.gz NYPYOUZLCYLVAC-MUWHJKNJSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H]1OCC[C@]1(C)NC(=O)c1cnn[n-]1 ZINC000230180466 388819552 /nfs/dbraw/zinc/81/95/52/388819552.db2.gz NYPYOUZLCYLVAC-MUWHJKNJSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H]1OCC[C@]1(C)NC(=O)c1cn[n-]n1 ZINC000230180466 388819555 /nfs/dbraw/zinc/81/95/55/388819555.db2.gz NYPYOUZLCYLVAC-MUWHJKNJSA-N -1 3 210.237 0.102 20 0 BCADHM CCOC[C@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948894 388872580 /nfs/dbraw/zinc/87/25/80/388872580.db2.gz VHDRVFSILRMWHE-ZETCQYMHSA-N -1 3 233.293 0.113 20 0 BCADHM [O-]c1cccnc1CN1CCN2CCOC[C@@H]2C1 ZINC000565626874 388958352 /nfs/dbraw/zinc/95/83/52/388958352.db2.gz RQMVLCOOQWEJQS-NSHDSACASA-N -1 3 249.314 0.304 20 0 BCADHM C[C@@H](C(=O)Nc1nn[n-]c1C(N)=O)C1CCC1 ZINC000565585273 388956256 /nfs/dbraw/zinc/95/62/56/388956256.db2.gz ZWCGVVMPJFPEIX-RXMQYKEDSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@@H](C(=O)Nc1n[n-]nc1C(N)=O)C1CCC1 ZINC000565585273 388956260 /nfs/dbraw/zinc/95/62/60/388956260.db2.gz ZWCGVVMPJFPEIX-RXMQYKEDSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@@H](C(=O)Nc1[n-]nnc1C(N)=O)C1CCC1 ZINC000565585273 388956253 /nfs/dbraw/zinc/95/62/53/388956253.db2.gz ZWCGVVMPJFPEIX-RXMQYKEDSA-N -1 3 237.263 0.278 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CCO)c(F)c1 ZINC000269718118 389010114 /nfs/dbraw/zinc/01/01/14/389010114.db2.gz PAXOWOUVDWGHAB-UHFFFAOYSA-N -1 3 233.264 0.405 20 0 BCADHM CC(C)(O)CCNC(=O)c1ccc(O)cc1[O-] ZINC000274865947 389049127 /nfs/dbraw/zinc/04/91/27/389049127.db2.gz UGUCXIOOPIUJIQ-UHFFFAOYSA-N -1 3 239.271 0.989 20 0 BCADHM COC(=O)CCNC(=O)c1cccc(C)c1[O-] ZINC000040418369 322831428 /nfs/dbraw/zinc/83/14/28/322831428.db2.gz LPJMIMFTIISOGN-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM O=c1nc(CN2C[C@@H](O)Cc3ccccc32)[nH][n-]1 ZINC000278802292 132208185 /nfs/dbraw/zinc/20/81/85/132208185.db2.gz FWPUPWKDWJWFSS-VIFPVBQESA-N -1 3 246.270 0.022 20 0 BCADHM C[C@@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)C[C@H](C)O1 ZINC000341923836 132226723 /nfs/dbraw/zinc/22/67/23/132226723.db2.gz DFODZFMHSNGXMI-KNVOCYPGSA-N -1 3 248.290 0.331 20 0 BCADHM Cn1cc(S(=O)(=O)[N-]C2(CF)CCC2)cn1 ZINC000335486954 133882848 /nfs/dbraw/zinc/88/28/48/133882848.db2.gz SRWZKGYTJVOLLV-UHFFFAOYSA-N -1 3 247.295 0.591 20 0 BCADHM O=C(NC[C@@H]1CCCC(=O)N1)c1ccccc1[O-] ZINC000336157709 134106771 /nfs/dbraw/zinc/10/67/71/134106771.db2.gz ZIELMVMAFZXLEP-VIFPVBQESA-N -1 3 248.282 0.791 20 0 BCADHM Cn1[n-]c(CN2C[C@@H]3CCC[C@H]3C2)nc1=O ZINC000336627688 134152358 /nfs/dbraw/zinc/15/23/58/134152358.db2.gz WVQLTZYBDFJDNR-IUCAKERBSA-N -1 3 222.292 0.340 20 0 BCADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1COCCO1 ZINC000174889169 134285338 /nfs/dbraw/zinc/28/53/38/134285338.db2.gz YSUUEFIYBZCDHD-JTQLQIEISA-N -1 3 241.218 0.885 20 0 BCADHM COc1nnc(NC(=O)c2cn(C)nc2C)[n-]1 ZINC000220327139 134303143 /nfs/dbraw/zinc/30/31/43/134303143.db2.gz XNFWWSZHBNWGSP-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1nc(NC(=O)c2cn(C)nc2C)n[n-]1 ZINC000220327139 134303144 /nfs/dbraw/zinc/30/31/44/134303144.db2.gz XNFWWSZHBNWGSP-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1n[n-]c(NC(=O)c2cn(C)nc2C)n1 ZINC000220327139 134303145 /nfs/dbraw/zinc/30/31/45/134303145.db2.gz XNFWWSZHBNWGSP-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM Cn1ncc2c1ncc(C(=O)NCC1CC1)c2[O-] ZINC000179408964 134317789 /nfs/dbraw/zinc/31/77/89/134317789.db2.gz OLCFUGDEUICCEA-UHFFFAOYSA-N -1 3 246.270 0.814 20 0 BCADHM O=C1NCCC[C@H]1NCc1cc([O-])cc(F)c1 ZINC000223124595 134337175 /nfs/dbraw/zinc/33/71/75/134337175.db2.gz FPYJHTVXOFSUCM-LLVKDONJSA-N -1 3 238.262 0.900 20 0 BCADHM C[C@H]1CN(C)CCN1C(=O)c1cncc([O-])c1 ZINC000225830203 134355720 /nfs/dbraw/zinc/35/57/20/134355720.db2.gz GUBPHUYBSPJZJB-VIFPVBQESA-N -1 3 235.287 0.563 20 0 BCADHM CC[C@H](COC)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000070659708 135006808 /nfs/dbraw/zinc/00/68/08/135006808.db2.gz FCIDXJWGMJCGTC-SSDOTTSWSA-N -1 3 233.293 0.113 20 0 BCADHM O=C(NCc1ncc[nH]1)c1cncc([O-])c1 ZINC000070819807 135013406 /nfs/dbraw/zinc/01/34/06/135013406.db2.gz PHFWSVKOPNPOKB-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM C[S@](=O)CCCNC(=O)c1cccc([O-])c1 ZINC000163672163 135044180 /nfs/dbraw/zinc/04/41/80/135044180.db2.gz FEVYSALFOBRQDR-MRXNPFEDSA-N -1 3 241.312 0.891 20 0 BCADHM CCO[N-]C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000253268974 135125596 /nfs/dbraw/zinc/12/55/96/135125596.db2.gz ZELCKCWGQRGCPO-YGOYTEALSA-N -1 3 242.319 0.587 20 0 BCADHM CC[C@@H]1CN(CCC(=O)[O-])C[C@@H](C)O1 ZINC000261530435 135158188 /nfs/dbraw/zinc/15/81/88/135158188.db2.gz ZVGRHOIDQRRULI-RKDXNWHRSA-N -1 3 201.266 0.960 20 0 BCADHM CN(CC(=O)NCC(=O)[O-])CC(C)(C)C ZINC000261573730 135215536 /nfs/dbraw/zinc/21/55/36/135215536.db2.gz IXJUVLHIOSTDGA-UHFFFAOYSA-N -1 3 216.281 0.165 20 0 BCADHM CCCN(C)CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000261577647 135219358 /nfs/dbraw/zinc/21/93/58/135219358.db2.gz LGTKKKABPCTGIM-SECBINFHSA-N -1 3 228.292 0.404 20 0 BCADHM CCC[C@H](NC(=O)CN(C)CCC)C(=O)[O-] ZINC000261586955 135227715 /nfs/dbraw/zinc/22/77/15/135227715.db2.gz RKHACEADVMSOGX-VIFPVBQESA-N -1 3 230.308 0.698 20 0 BCADHM CN(C(=O)c1cccc([O-])c1)[C@@H]1COC[C@@H]1O ZINC000342494726 135283541 /nfs/dbraw/zinc/28/35/41/135283541.db2.gz VIRPBMMQHWNNIB-MNOVXSKESA-N -1 3 237.255 0.224 20 0 BCADHM CC(C)[C@H]1CCCN1CC(=O)NCC(=O)[O-] ZINC000262194474 135285680 /nfs/dbraw/zinc/28/56/80/135285680.db2.gz HIDRORNJWLUPRI-SECBINFHSA-N -1 3 228.292 0.308 20 0 BCADHM CCC[C@@H]1CCCN(CC(=O)NCC(=O)[O-])C1 ZINC000262253391 135288311 /nfs/dbraw/zinc/28/83/11/135288311.db2.gz QXQDSKLUUDOYHQ-SNVBAGLBSA-N -1 3 242.319 0.699 20 0 BCADHM CC[C@@H]1CN([C@H](C)C(=O)[O-])CCN1C[C@H](C)O ZINC000262273519 135288977 /nfs/dbraw/zinc/28/89/77/135288977.db2.gz UESLWGWLQJKFIO-HBNTYKKESA-N -1 3 244.335 0.237 20 0 BCADHM O=C([O-])CNC(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000262273497 135289246 /nfs/dbraw/zinc/28/92/46/135289246.db2.gz VIFJSEURZNCNQQ-NXEZZACHSA-N -1 3 240.303 0.309 20 0 BCADHM CC(C)C[C@H]1CCN(CC(=O)NCC(=O)[O-])C1 ZINC000262208240 135290132 /nfs/dbraw/zinc/29/01/32/135290132.db2.gz JGEJSGSYFJYATC-SNVBAGLBSA-N -1 3 242.319 0.555 20 0 BCADHM CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(=O)[O-] ZINC000262339601 135294019 /nfs/dbraw/zinc/29/40/19/135294019.db2.gz CFZLESMPEXUPCT-UWVGGRQHSA-N -1 3 244.335 0.942 20 0 BCADHM Cc1nc(C)c(CC(=O)NCC2CCC2)c(=O)[n-]1 ZINC000031415191 135296577 /nfs/dbraw/zinc/29/65/77/135296577.db2.gz HWGNDFGHPDOOGP-UHFFFAOYSA-N -1 3 249.314 0.846 20 0 BCADHM O=C(NCC1(C(F)(F)F)CC1)c1c[n-]nn1 ZINC000342948328 135338559 /nfs/dbraw/zinc/33/85/59/135338559.db2.gz VQEYMJXFOQWLIF-UHFFFAOYSA-N -1 3 234.181 0.877 20 0 BCADHM O=C(NCC1(C(F)(F)F)CC1)c1cnn[n-]1 ZINC000342948328 135338561 /nfs/dbraw/zinc/33/85/61/135338561.db2.gz VQEYMJXFOQWLIF-UHFFFAOYSA-N -1 3 234.181 0.877 20 0 BCADHM O=C(NCC1(C(F)(F)F)CC1)c1cn[n-]n1 ZINC000342948328 135338562 /nfs/dbraw/zinc/33/85/62/135338562.db2.gz VQEYMJXFOQWLIF-UHFFFAOYSA-N -1 3 234.181 0.877 20 0 BCADHM O=S(=O)([N-][C@@H]1CCSC1)c1ccccn1 ZINC000334386949 135383081 /nfs/dbraw/zinc/38/30/81/135383081.db2.gz OYMRQJUBIVAZKB-MRVPVSSYSA-N -1 3 244.341 0.865 20 0 BCADHM CCN(C)S(=O)(=O)[N-]CC(F)F ZINC000072713262 135389532 /nfs/dbraw/zinc/38/95/32/135389532.db2.gz PLMVOJUMHSTGTH-UHFFFAOYSA-N -1 3 202.226 0.038 20 0 BCADHM CC[C@@H]1C[C@@H](C)CN1Cc1nc(=O)n(C)[n-]1 ZINC000335329327 136053092 /nfs/dbraw/zinc/05/30/92/136053092.db2.gz MYVPMNPIPSNEEW-RKDXNWHRSA-N -1 3 224.308 0.729 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C(C)(C)CF)n1 ZINC000335366084 136081607 /nfs/dbraw/zinc/08/16/07/136081607.db2.gz LIYOGFXWPKHGIP-UHFFFAOYSA-N -1 3 235.284 0.447 20 0 BCADHM O=c1[n-]nc(CN2C[C@@H](O)C3(CC3)C2)s1 ZINC000367053927 136115825 /nfs/dbraw/zinc/11/58/25/136115825.db2.gz HPINVFDUIHRTQH-ZCFIWIBFSA-N -1 3 227.289 0.200 20 0 BCADHM Cc1noc([C@H](C)NC(=O)c2cc(=O)[n-]cn2)n1 ZINC000624919169 397951410 /nfs/dbraw/zinc/95/14/10/397951410.db2.gz PQTOWTHFHJDXFS-YFKPBYRVSA-N -1 3 249.230 0.365 20 0 BCADHM Cc1cc(C(=O)NCC(F)F)[n-]c(=O)n1 ZINC000268612690 397951814 /nfs/dbraw/zinc/95/18/14/397951814.db2.gz BUSQGJPZXXWPQM-UHFFFAOYSA-N -1 3 217.175 0.486 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@H](O)C3(CC3)C2)n1 ZINC000372296576 397999626 /nfs/dbraw/zinc/99/96/26/397999626.db2.gz RRABNXIZQTZISJ-JTQLQIEISA-N -1 3 249.314 0.701 20 0 BCADHM CNC(=O)[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000398494480 398001337 /nfs/dbraw/zinc/00/13/37/398001337.db2.gz HNIWWLIXADRIKO-JTQLQIEISA-N -1 3 248.282 0.600 20 0 BCADHM COC(=O)c1cnc(SCCOCCO)[n-]1 ZINC000278761652 398041247 /nfs/dbraw/zinc/04/12/47/398041247.db2.gz XIVCWUCRPPZQNK-UHFFFAOYSA-N -1 3 246.288 0.297 20 0 BCADHM CC(C)CS(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000228542575 398094116 /nfs/dbraw/zinc/09/41/16/398094116.db2.gz YIOOKMFVFHBYBH-LURJTMIESA-N -1 3 249.254 0.485 20 0 BCADHM O=S(=O)(CCCCF)[N-]c1cn[nH]c1 ZINC000288677239 398083836 /nfs/dbraw/zinc/08/38/36/398083836.db2.gz WORVQYLTRJYNIF-UHFFFAOYSA-N -1 3 221.257 0.901 20 0 BCADHM CCN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCCOC1 ZINC000649755434 398086281 /nfs/dbraw/zinc/08/62/81/398086281.db2.gz NXYTUMGWWXZFMO-SECBINFHSA-N -1 3 240.307 0.109 20 0 BCADHM O=C([N-]c1cnoc1)c1cnc2n[nH]nc2c1 ZINC000680431024 487592757 /nfs/dbraw/zinc/59/27/57/487592757.db2.gz CYEKUMUXZQPBFZ-UHFFFAOYSA-N -1 3 230.187 0.593 20 0 BCADHM O=S(=O)(CC(F)F)c1nc(C2CC2)n[n-]1 ZINC000685900234 487593122 /nfs/dbraw/zinc/59/31/22/487593122.db2.gz NIFPNKJPKOBOHY-UHFFFAOYSA-N -1 3 237.231 0.721 20 0 BCADHM O=S(=O)(CC(F)F)c1nnc(C2CC2)[n-]1 ZINC000685900234 487593127 /nfs/dbraw/zinc/59/31/27/487593127.db2.gz NIFPNKJPKOBOHY-UHFFFAOYSA-N -1 3 237.231 0.721 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccn1C ZINC000556680571 322918767 /nfs/dbraw/zinc/91/87/67/322918767.db2.gz KJVVUQPMAXGGRM-VIFPVBQESA-N -1 3 248.286 0.267 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccn1C ZINC000556680570 322918923 /nfs/dbraw/zinc/91/89/23/322918923.db2.gz KJVVUQPMAXGGRM-SECBINFHSA-N -1 3 248.286 0.267 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)CCCC1CC1 ZINC000660848186 409860931 /nfs/dbraw/zinc/86/09/31/409860931.db2.gz KBNIBLLQOVFSJF-UHFFFAOYSA-N -1 3 237.263 0.422 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)CCCC1CC1 ZINC000660848186 409860939 /nfs/dbraw/zinc/86/09/39/409860939.db2.gz KBNIBLLQOVFSJF-UHFFFAOYSA-N -1 3 237.263 0.422 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)CCCC1CC1 ZINC000660848186 409860945 /nfs/dbraw/zinc/86/09/45/409860945.db2.gz KBNIBLLQOVFSJF-UHFFFAOYSA-N -1 3 237.263 0.422 20 0 BCADHM C[C@H](O)C[C@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000655392847 410194771 /nfs/dbraw/zinc/19/47/71/410194771.db2.gz AUBFZRWJXBGPHP-IUCAKERBSA-N -1 3 238.287 0.605 20 0 BCADHM C[C@@H](CF)NC(=O)Cc1cncc([O-])c1 ZINC000655399963 410203756 /nfs/dbraw/zinc/20/37/56/410203756.db2.gz STXYMIIPJWDACE-ZETCQYMHSA-N -1 3 212.224 0.804 20 0 BCADHM Oc1[n-]c(N2CC[C@@H]3C[C@@H]3C2)nc2nncc1-2 ZINC000664526939 410596065 /nfs/dbraw/zinc/59/60/65/410596065.db2.gz XBFUHDMTDMMOCE-RNFRBKRXSA-N -1 3 231.259 0.905 20 0 BCADHM O=C(c1cncc([O-])c1)N1CCN2CC[C@H]1C2 ZINC000394318299 410785474 /nfs/dbraw/zinc/78/54/74/410785474.db2.gz BMIRAIKTGDHTNL-JTQLQIEISA-N -1 3 233.271 0.317 20 0 BCADHM CCC(CC)(C(=O)[O-])C(=O)NCCN(C)C ZINC000653309713 410921767 /nfs/dbraw/zinc/92/17/67/410921767.db2.gz KBNRUSJARHYZJP-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM CCN(CC)CC(=O)N(CC(=O)[O-])CC1CC1 ZINC000653325177 411135951 /nfs/dbraw/zinc/13/59/51/411135951.db2.gz PKQKQGOOADJZKP-UHFFFAOYSA-N -1 3 242.319 0.651 20 0 BCADHM C[C@@H](CNC(=O)c1c[n-]nn1)c1ccccn1 ZINC000617080723 411139801 /nfs/dbraw/zinc/13/98/01/411139801.db2.gz IXNWPKWIIJMCKY-QMMMGPOBSA-N -1 3 231.259 0.733 20 0 BCADHM C[C@@H](CNC(=O)c1cnn[n-]1)c1ccccn1 ZINC000617080723 411139802 /nfs/dbraw/zinc/13/98/02/411139802.db2.gz IXNWPKWIIJMCKY-QMMMGPOBSA-N -1 3 231.259 0.733 20 0 BCADHM C[C@@H](CNC(=O)c1cn[n-]n1)c1ccccn1 ZINC000617080723 411139803 /nfs/dbraw/zinc/13/98/03/411139803.db2.gz IXNWPKWIIJMCKY-QMMMGPOBSA-N -1 3 231.259 0.733 20 0 BCADHM CCCN(C)CC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655563763 411151759 /nfs/dbraw/zinc/15/17/59/411151759.db2.gz AFBHDDCYKNFQLK-JTQLQIEISA-N -1 3 244.335 0.801 20 0 BCADHM C[C@H]1C[C@H](Nc2ccncc2C(=O)[O-])CO1 ZINC000401926768 411175355 /nfs/dbraw/zinc/17/53/55/411175355.db2.gz IJNLQQJXPWQEBD-YUMQZZPRSA-N -1 3 222.244 0.791 20 0 BCADHM Cn1[n-]nnc1=N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656227436 411212909 /nfs/dbraw/zinc/21/29/09/411212909.db2.gz RCAIMELABDRUNE-ZJUUUORDSA-N -1 3 236.323 0.061 20 0 BCADHM CCCN(C)CC(=O)N(CC)[C@@H](C)C(=O)[O-] ZINC000659773166 411229069 /nfs/dbraw/zinc/22/90/69/411229069.db2.gz VOPGASUPTGPNDV-VIFPVBQESA-N -1 3 230.308 0.650 20 0 BCADHM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN1CCCCC1 ZINC000049575070 411240164 /nfs/dbraw/zinc/24/01/64/411240164.db2.gz CJKHPOQNWOERBF-NXEZZACHSA-N -1 3 240.303 0.309 20 0 BCADHM CC[C@H](C)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652508568 411261465 /nfs/dbraw/zinc/26/14/65/411261465.db2.gz HUYAHPGCAHBTFB-DJLDLDEBSA-N -1 3 201.266 0.959 20 0 BCADHM O=S(=O)([N-]C1CC(CO)C1)c1cccs1 ZINC000660148270 411263899 /nfs/dbraw/zinc/26/38/99/411263899.db2.gz JTJYXVJYFUYNFH-UHFFFAOYSA-N -1 3 247.341 0.797 20 0 BCADHM C[C@H](O)CCN(C)C(=O)c1c([O-])cccc1O ZINC000092124662 411268579 /nfs/dbraw/zinc/26/85/79/411268579.db2.gz LKUQYIOCKWBEHL-QMMMGPOBSA-N -1 3 239.271 0.941 20 0 BCADHM CCCN(CCN(C)C)C(=O)C(C)(C)C(=O)[O-] ZINC000215174412 411301488 /nfs/dbraw/zinc/30/14/88/411301488.db2.gz BJHDCORCEFEQRQ-UHFFFAOYSA-N -1 3 244.335 0.897 20 0 BCADHM Cc1cnc(C(=O)NC2CCN(C)CC2)c([O-])c1 ZINC000408229121 411302288 /nfs/dbraw/zinc/30/22/88/411302288.db2.gz MZYGTJWFEKMIAZ-UHFFFAOYSA-N -1 3 249.314 0.920 20 0 BCADHM CCC[C@H](CCO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000632620830 411319953 /nfs/dbraw/zinc/31/99/53/411319953.db2.gz ZUORYGOVTMCKLL-MRVPVSSYSA-N -1 3 247.320 0.239 20 0 BCADHM C[C@@H](COCC1CC1)NC(=O)c1c[n-]nn1 ZINC000652907334 411320035 /nfs/dbraw/zinc/32/00/35/411320035.db2.gz IWIDFDMVNOUYFY-ZETCQYMHSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](COCC1CC1)NC(=O)c1cnn[n-]1 ZINC000652907334 411320036 /nfs/dbraw/zinc/32/00/36/411320036.db2.gz IWIDFDMVNOUYFY-ZETCQYMHSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](COCC1CC1)NC(=O)c1cn[n-]n1 ZINC000652907334 411320038 /nfs/dbraw/zinc/32/00/38/411320038.db2.gz IWIDFDMVNOUYFY-ZETCQYMHSA-N -1 3 224.264 0.350 20 0 BCADHM Cc1cc(CN2CC3CC2(C(=O)[O-])C3)ncn1 ZINC000656759635 411354351 /nfs/dbraw/zinc/35/43/51/411354351.db2.gz BSCQDORDZUFXOV-UHFFFAOYSA-N -1 3 233.271 0.834 20 0 BCADHM COc1nccc(CN2CC3CC2(C(=O)[O-])C3)n1 ZINC000656760821 411355438 /nfs/dbraw/zinc/35/54/38/411355438.db2.gz KABKBNXSLQVZAZ-UHFFFAOYSA-N -1 3 249.270 0.534 20 0 BCADHM CCNC(=O)C[N-]c1nnc(C(C)(C)CC)o1 ZINC000641263938 411362249 /nfs/dbraw/zinc/36/22/49/411362249.db2.gz YFJQATFBFXUCAN-UHFFFAOYSA-N -1 3 240.307 1.305 20 0 BCADHM CC[C@@H]1CN(C[C@@](C)(O)C(=O)[O-])[C@@H](CC)CO1 ZINC000403904200 411365125 /nfs/dbraw/zinc/36/51/25/411365125.db2.gz WHXIXQHPQRZNFL-HOSYDEDBSA-N -1 3 245.319 0.711 20 0 BCADHM CC1(O)CN(C(=O)c2cccc([O-])c2)C1 ZINC000084351928 168070185 /nfs/dbraw/zinc/07/01/85/168070185.db2.gz SFODAUOHCSWRBT-UHFFFAOYSA-N -1 3 207.229 0.599 20 0 BCADHM CC(C)[C@H]1CN(C(=O)[C@H](C)C(=O)[O-])CCN1 ZINC000656853052 411380367 /nfs/dbraw/zinc/38/03/67/411380367.db2.gz PLFODLDFDCEKAJ-DTWKUNHWSA-N -1 3 228.292 0.164 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C(C)C)N(C)C ZINC000653343278 411382110 /nfs/dbraw/zinc/38/21/10/411382110.db2.gz RNUNXNCMDHSGGF-ZJUUUORDSA-N -1 3 244.335 0.894 20 0 BCADHM C[C@H](CCO)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000652966639 411375968 /nfs/dbraw/zinc/37/59/68/411375968.db2.gz YVCRMBBPUCVAPX-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)CN(C)C(C)C ZINC000653342583 411376778 /nfs/dbraw/zinc/37/67/78/411376778.db2.gz AXUSFXWJEPOXPH-VIFPVBQESA-N -1 3 230.308 0.648 20 0 BCADHM C[C@H](CNC(=O)C(=O)[O-])N1CCC(C)CC1 ZINC000309682221 168185642 /nfs/dbraw/zinc/18/56/42/168185642.db2.gz NMUOVKRRNBRCNS-SECBINFHSA-N -1 3 228.292 0.308 20 0 BCADHM CC1CN(C(=O)c2cnc3c(cnn3C)c2[O-])C1 ZINC000338187096 168190317 /nfs/dbraw/zinc/19/03/17/168190317.db2.gz FTZDDIKTTHMPSC-UHFFFAOYSA-N -1 3 246.270 0.766 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC000653343277 411382625 /nfs/dbraw/zinc/38/26/25/411382625.db2.gz RNUNXNCMDHSGGF-VHSXEESVSA-N -1 3 244.335 0.894 20 0 BCADHM O=C(N[C@H]1CNc2ccccc2C1)c1c[n-]nn1 ZINC000404434971 411396627 /nfs/dbraw/zinc/39/66/27/411396627.db2.gz QJNOZSNYUPLQLH-SECBINFHSA-N -1 3 243.270 0.571 20 0 BCADHM O=C(N[C@H]1CNc2ccccc2C1)c1cnn[n-]1 ZINC000404434971 411396629 /nfs/dbraw/zinc/39/66/29/411396629.db2.gz QJNOZSNYUPLQLH-SECBINFHSA-N -1 3 243.270 0.571 20 0 BCADHM O=C(N[C@H]1CNc2ccccc2C1)c1cn[n-]n1 ZINC000404434971 411396632 /nfs/dbraw/zinc/39/66/32/411396632.db2.gz QJNOZSNYUPLQLH-SECBINFHSA-N -1 3 243.270 0.571 20 0 BCADHM O=S(=O)([N-][C@@H](CO)C1CCC1)c1ccco1 ZINC000657053185 411397694 /nfs/dbraw/zinc/39/76/94/411397694.db2.gz FPIJJRLLEWWICI-VIFPVBQESA-N -1 3 245.300 0.719 20 0 BCADHM Cc1csc(S(=O)(=O)[N-]C/C=C/CO)c1 ZINC000657084472 411404423 /nfs/dbraw/zinc/40/44/23/411404423.db2.gz KOCCVEUISGTIRS-NSCUHMNNSA-N -1 3 247.341 0.883 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CCC(C)(C)F)n1 ZINC000657142611 411410092 /nfs/dbraw/zinc/41/00/92/411410092.db2.gz DSGIUAURZZXOQY-UHFFFAOYSA-N -1 3 249.311 0.837 20 0 BCADHM Cc1cc(SCCc2nnn[n-]2)nc(C)n1 ZINC000657208659 411418576 /nfs/dbraw/zinc/41/85/76/411418576.db2.gz IARRHUNBEVJGNQ-UHFFFAOYSA-N -1 3 236.304 0.941 20 0 BCADHM Cc1cc(SCCc2nn[n-]n2)nc(C)n1 ZINC000657208659 411418577 /nfs/dbraw/zinc/41/85/77/411418577.db2.gz IARRHUNBEVJGNQ-UHFFFAOYSA-N -1 3 236.304 0.941 20 0 BCADHM C[C@]1(C(=O)[O-])CCCN1C[C@H](O)C(F)(F)F ZINC000070618054 411431464 /nfs/dbraw/zinc/43/14/64/411431464.db2.gz QIWZOCYRQKQCCF-POYBYMJQSA-N -1 3 241.209 0.849 20 0 BCADHM COC(=O)C(C)(C)[N-]S(=O)(=O)c1ccco1 ZINC000275479821 411440600 /nfs/dbraw/zinc/44/06/00/411440600.db2.gz NIENMJPNWNYMGQ-UHFFFAOYSA-N -1 3 247.272 0.510 20 0 BCADHM COC(=O)C1([N-]C(=O)C(F)F)CCC1 ZINC000279793285 411450708 /nfs/dbraw/zinc/45/07/08/411450708.db2.gz HTBOUEFQLOGLJU-UHFFFAOYSA-N -1 3 207.176 0.463 20 0 BCADHM CCCN1CCC[C@H]1C(=O)NC[C@H](C)C(=O)[O-] ZINC000655562086 411516318 /nfs/dbraw/zinc/51/63/18/411516318.db2.gz RPEDJKGYDGVWST-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM COc1cc(C[N-]S(=O)(=O)CC2CC2)on1 ZINC000660010585 411527178 /nfs/dbraw/zinc/52/71/78/411527178.db2.gz OEAIYIYCHPLSBN-UHFFFAOYSA-N -1 3 246.288 0.513 20 0 BCADHM O=C(N[C@@H]1CCOC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654947917 411466296 /nfs/dbraw/zinc/46/62/96/411466296.db2.gz WRIFZELLFDPUSB-MRVPVSSYSA-N -1 3 249.270 0.578 20 0 BCADHM CCNC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000038027569 170058491 /nfs/dbraw/zinc/05/84/91/170058491.db2.gz FKBMVOJUCSWRBW-VIFPVBQESA-N -1 3 228.292 0.452 20 0 BCADHM CCNC(=O)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330650731 170064634 /nfs/dbraw/zinc/06/46/34/170064634.db2.gz KBXJJJFCEPJJDV-UHFFFAOYSA-N -1 3 246.288 0.002 20 0 BCADHM CCOC(=O)CC[C@H](C)NC(=O)c1c[n-]nn1 ZINC000131124392 170211742 /nfs/dbraw/zinc/21/17/42/170211742.db2.gz BMZUTBJWWRFXKU-ZETCQYMHSA-N -1 3 240.263 0.266 20 0 BCADHM CCOC(=O)CC[C@H](C)NC(=O)c1cnn[n-]1 ZINC000131124392 170211743 /nfs/dbraw/zinc/21/17/43/170211743.db2.gz BMZUTBJWWRFXKU-ZETCQYMHSA-N -1 3 240.263 0.266 20 0 BCADHM CCOC(=O)CC[C@H](C)NC(=O)c1cn[n-]n1 ZINC000131124392 170211745 /nfs/dbraw/zinc/21/17/45/170211745.db2.gz BMZUTBJWWRFXKU-ZETCQYMHSA-N -1 3 240.263 0.266 20 0 BCADHM CCOC(=O)CNC(=O)c1cccc(C)c1[O-] ZINC000037654382 170224991 /nfs/dbraw/zinc/22/49/91/170224991.db2.gz SJHMICXXUHZEFG-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM Cc1ccc([O-])c(CNC/C=C/CO)n1 ZINC000657592265 411556498 /nfs/dbraw/zinc/55/64/98/411556498.db2.gz HRDXPWVSEFCKOD-NSCUHMNNSA-N -1 3 208.261 0.734 20 0 BCADHM CCOCCN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000366706496 170397958 /nfs/dbraw/zinc/39/79/58/170397958.db2.gz FABCRSMKTBRWLF-UHFFFAOYSA-N -1 3 240.307 0.726 20 0 BCADHM CCOCCN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000330488683 170399821 /nfs/dbraw/zinc/39/98/21/170399821.db2.gz KLILBTICSUQOFO-VIFPVBQESA-N -1 3 241.291 0.991 20 0 BCADHM Cc1cc([N-]C(=O)c2cn(C3CCC3)nn2)no1 ZINC000648719104 411640833 /nfs/dbraw/zinc/64/08/33/411640833.db2.gz XQWZLGJXRNZHRJ-UHFFFAOYSA-N -1 3 247.258 1.552 20 0 BCADHM CCC(CC)[C@@H](CN=c1nn[n-]n1C)N(C)C ZINC000663381109 411641908 /nfs/dbraw/zinc/64/19/08/411641908.db2.gz ZWBBTMRXEJWUCV-SNVBAGLBSA-N -1 3 240.355 0.410 20 0 BCADHM CCOCc1nnc([N-]Cc2ccn(C)n2)o1 ZINC000539692657 411711917 /nfs/dbraw/zinc/71/19/17/411711917.db2.gz LXWUBEQSWVFWND-UHFFFAOYSA-N -1 3 237.263 0.952 20 0 BCADHM Cc1cc(NCCCc2c[n-][nH]c2=O)ncn1 ZINC000631361450 411647557 /nfs/dbraw/zinc/64/75/57/411647557.db2.gz MFLYHEUDHAFUGW-VIFPVBQESA-N -1 3 233.275 0.709 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)C[C@@H]1CCCOC1 ZINC000660848521 411656231 /nfs/dbraw/zinc/65/62/31/411656231.db2.gz ODIMPCVHBMZTLK-QMMMGPOBSA-N -1 3 227.264 0.634 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)[C@@H]1CCCC[C@H]1O ZINC000660849467 411656781 /nfs/dbraw/zinc/65/67/81/411656781.db2.gz HURDATXNGKUGTP-HTQZYQBOSA-N -1 3 227.264 0.511 20 0 BCADHM O=C([N-]c1nncs1)c1ccncn1 ZINC000487787514 411661777 /nfs/dbraw/zinc/66/17/77/411661777.db2.gz TXCPBNTXTVBGRT-UHFFFAOYSA-N -1 3 207.218 0.580 20 0 BCADHM COc1cc(C(=O)[N-]c2n[nH]cc2C2CC2)on1 ZINC000648975513 411683092 /nfs/dbraw/zinc/68/30/92/411683092.db2.gz JBDAVOSNSJOXCX-UHFFFAOYSA-N -1 3 248.242 1.536 20 0 BCADHM O[C@H](C[N-]c1nnc(C(F)F)o1)C(F)F ZINC000336650943 411696707 /nfs/dbraw/zinc/69/67/07/411696707.db2.gz RGOLWZCSYVVLKB-UWTATZPHSA-N -1 3 229.133 1.045 20 0 BCADHM COc1ccnc(NCCCc2c[n-][nH]c2=O)n1 ZINC000631360712 411761909 /nfs/dbraw/zinc/76/19/09/411761909.db2.gz GTPQSOHERLFUHB-QMMMGPOBSA-N -1 3 249.274 0.409 20 0 BCADHM COc1nc(NCCN(C)C)ccc1C(=O)[O-] ZINC000573850188 411771422 /nfs/dbraw/zinc/77/14/22/411771422.db2.gz APXOGKYCFBIYHS-UHFFFAOYSA-N -1 3 239.275 0.762 20 0 BCADHM Cc1ncc(CNc2nccn(C)c2=O)c(=O)[n-]1 ZINC000543190047 411782668 /nfs/dbraw/zinc/78/26/68/411782668.db2.gz WXRHQYDDGJOOSD-UHFFFAOYSA-N -1 3 247.258 0.196 20 0 BCADHM CCc1nc(C[N-]c2nnc(CO)o2)cs1 ZINC000336781425 411788166 /nfs/dbraw/zinc/78/81/66/411788166.db2.gz URCUATIIEUHJAO-UHFFFAOYSA-N -1 3 240.288 1.193 20 0 BCADHM Cc1nnc([N-]CC(=O)NCc2ccco2)o1 ZINC000341338819 411797924 /nfs/dbraw/zinc/79/79/24/411797924.db2.gz GRHQPMJDCQUARU-UHFFFAOYSA-N -1 3 236.231 0.699 20 0 BCADHM CC[C@H](C)[C@H](C)N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354596450 411885364 /nfs/dbraw/zinc/88/53/64/411885364.db2.gz OJGCQOYZRYDYFY-BQBZGAKWSA-N -1 3 234.307 1.155 20 0 BCADHM CO[C@@H]1CC[C@H](N=c2nc3[nH][n-]cc-3c(N)n2)C1 ZINC000350685065 411896154 /nfs/dbraw/zinc/89/61/54/411896154.db2.gz NHOFANFYZHSDCZ-NKWVEPMBSA-N -1 3 248.290 0.288 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)C1(CO)CC1 ZINC000664270316 411906248 /nfs/dbraw/zinc/90/62/48/411906248.db2.gz DRWFKSVMPFHTJH-ZETCQYMHSA-N -1 3 233.275 0.299 20 0 BCADHM C[C@@H]1C[C@H]1CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000381649694 411913286 /nfs/dbraw/zinc/91/32/86/411913286.db2.gz RKBBCIVPEPMDPF-RITPCOANSA-N -1 3 218.264 0.377 20 0 BCADHM C[C@H](N=c1nc2[nH][n-]cc-2c(N)n1)C1CC1 ZINC000336649414 411920140 /nfs/dbraw/zinc/92/01/40/411920140.db2.gz DERPBQCMJGRTPE-YFKPBYRVSA-N -1 3 218.264 0.519 20 0 BCADHM Nc1nc(=NCc2cccnc2)nc2[nH][n-]cc1-2 ZINC000341923566 411924564 /nfs/dbraw/zinc/92/45/64/411924564.db2.gz ZGUSYMVPRCUNMO-UHFFFAOYSA-N -1 3 241.258 0.316 20 0 BCADHM Nc1nc(NCc2ccccn2)nc2[n-]ncc21 ZINC000354529428 411924692 /nfs/dbraw/zinc/92/46/92/411924692.db2.gz SYCOFMMPOBFTEA-UHFFFAOYSA-N -1 3 241.258 0.316 20 0 BCADHM Nc1nc(=NCc2ccsc2)nc2[nH][n-]cc1-2 ZINC000341927066 411925317 /nfs/dbraw/zinc/92/53/17/411925317.db2.gz KNOBDNXTTBKXJE-UHFFFAOYSA-N -1 3 246.299 0.982 20 0 BCADHM Nc1nc(=N[C@H]2CC[C@H](F)C2)nc2[nH][n-]cc1-2 ZINC000340973300 411926726 /nfs/dbraw/zinc/92/67/26/411926726.db2.gz QEIOUVSUINZHPP-WDSKDSINSA-N -1 3 236.254 0.611 20 0 BCADHM Nc1nc(=N[C@H]2CC[C@@H](F)C2)nc2[nH][n-]cc1-2 ZINC000340973298 411928244 /nfs/dbraw/zinc/92/82/44/411928244.db2.gz QEIOUVSUINZHPP-RITPCOANSA-N -1 3 236.254 0.611 20 0 BCADHM CC1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1 ZINC000662129508 411996528 /nfs/dbraw/zinc/99/65/28/411996528.db2.gz GGWMHXGHTDPEMX-PBINXNQUSA-N -1 3 236.319 0.871 20 0 BCADHM C[C@@H]1CC[C@H](C)N1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662203434 412024020 /nfs/dbraw/zinc/02/40/20/412024020.db2.gz DQRNZIFQPMNLBS-KXUCPTDWSA-N -1 3 240.303 0.545 20 0 BCADHM C[C@@H]1C[C@@H](C)N([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662202473 412024247 /nfs/dbraw/zinc/02/42/47/412024247.db2.gz BHDYFIGCEXSTNL-BBBLOLIVSA-N -1 3 240.303 0.402 20 0 BCADHM C[C@@H]1CCN([C@H]2CCN(CC(=O)[O-])C2=O)[C@@H]1C ZINC000662206210 412025866 /nfs/dbraw/zinc/02/58/66/412025866.db2.gz PHXMMLFOLVNJFW-BBBLOLIVSA-N -1 3 240.303 0.402 20 0 BCADHM CC[C@@H]1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662207482 412025953 /nfs/dbraw/zinc/02/59/53/412025953.db2.gz YGKFUHAJNNFLJH-NXEZZACHSA-N -1 3 240.303 0.404 20 0 BCADHM CCCN(CC)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662205360 412025996 /nfs/dbraw/zinc/02/59/96/412025996.db2.gz XWVULNXETBGBIF-VIFPVBQESA-N -1 3 228.292 0.404 20 0 BCADHM CC[C@@H](C)CN(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662206454 412026274 /nfs/dbraw/zinc/02/62/74/412026274.db2.gz PWLWDRCDGHMDCP-NXEZZACHSA-N -1 3 242.319 0.650 20 0 BCADHM CCC[C@H](C)N(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662205703 412026526 /nfs/dbraw/zinc/02/65/26/412026526.db2.gz ZGVHKBFPLAJWBS-VHSXEESVSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H](C)N(CC)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662212951 412026901 /nfs/dbraw/zinc/02/69/01/412026901.db2.gz RCYSVMRFRAVTDS-ZJUUUORDSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CC(=O)[O-] ZINC000355727542 171074447 /nfs/dbraw/zinc/07/44/47/171074447.db2.gz BSUKTALPAOWBST-GHMZBOCLSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@H]1O ZINC000329981313 171074979 /nfs/dbraw/zinc/07/49/79/171074979.db2.gz NACFHUPVRVRKES-HTRCEHHLSA-N -1 3 242.300 0.692 20 0 BCADHM CC[C@@H]1CN(CC(=O)[O-])CCN1CCOC ZINC000116396174 171077081 /nfs/dbraw/zinc/07/70/81/171077081.db2.gz LZKHBHJHAUPGGZ-SNVBAGLBSA-N -1 3 230.308 0.114 20 0 BCADHM CC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CCCO1 ZINC000333124571 171092742 /nfs/dbraw/zinc/09/27/42/171092742.db2.gz CQWHAYBPCNOPQR-SECBINFHSA-N -1 3 240.307 0.109 20 0 BCADHM CC[C@H](C)[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000092910000 171345289 /nfs/dbraw/zinc/34/52/89/171345289.db2.gz ZZBLFFHNQAAJOD-QMMMGPOBSA-N -1 3 231.321 0.980 20 0 BCADHM CC[C@H](C)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000066085893 171345428 /nfs/dbraw/zinc/34/54/28/171345428.db2.gz GTPKHXLIHTZANA-ZETCQYMHSA-N -1 3 231.321 0.805 20 0 BCADHM CC(=O)c1ccc(C(=O)[N-]c2nncn2C)o1 ZINC000362727111 412182383 /nfs/dbraw/zinc/18/23/83/412182383.db2.gz ILVOQNCWMVGSFW-UHFFFAOYSA-N -1 3 234.215 0.863 20 0 BCADHM CC(=O)c1ccc(C(=O)[N-]c2nnc(C)n2C)o1 ZINC000362510729 412183678 /nfs/dbraw/zinc/18/36/78/412183678.db2.gz LXYAYUKPTITHKN-UHFFFAOYSA-N -1 3 248.242 1.171 20 0 BCADHM Cn1cnc([N-]C(=O)c2ccc(Cl)o2)n1 ZINC000336507053 412156799 /nfs/dbraw/zinc/15/67/99/412156799.db2.gz PNVWZHLKDLOLOJ-UHFFFAOYSA-N -1 3 226.623 1.314 20 0 BCADHM Cn1[n-]c(CN2CC[C@H](C3CCC3)C2)nc1=O ZINC000665288565 412233586 /nfs/dbraw/zinc/23/35/86/412233586.db2.gz QOHQZTORTWREID-JTQLQIEISA-N -1 3 236.319 0.730 20 0 BCADHM Cn1[n-]c(CN2CC[C@@H](C3CCC3)C2)nc1=O ZINC000665288566 412234360 /nfs/dbraw/zinc/23/43/60/412234360.db2.gz QOHQZTORTWREID-SNVBAGLBSA-N -1 3 236.319 0.730 20 0 BCADHM CNc1nc(C)cc(C(=O)[N-]c2conc2C)n1 ZINC000640485776 412318610 /nfs/dbraw/zinc/31/86/10/412318610.db2.gz JHVYOQPXBYDBBC-UHFFFAOYSA-N -1 3 247.258 1.375 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)ncn1 ZINC000523695499 412334056 /nfs/dbraw/zinc/33/40/56/412334056.db2.gz OPYRJLNXMALHML-VIFPVBQESA-N -1 3 233.275 0.709 20 0 BCADHM COC(=O)c1cc(C(=O)Nc2ccn(C)n2)c[n-]1 ZINC000431673168 412338021 /nfs/dbraw/zinc/33/80/21/412338021.db2.gz LQBBJMUPLSMKPL-UHFFFAOYSA-N -1 3 248.242 0.787 20 0 BCADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H](O)C1CC1 ZINC000615133711 412343598 /nfs/dbraw/zinc/34/35/98/412343598.db2.gz MXRDMZPYRIOJOD-JTQLQIEISA-N -1 3 247.254 0.978 20 0 BCADHM O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1cnn[n-]1 ZINC000526960668 412354855 /nfs/dbraw/zinc/35/48/55/412354855.db2.gz HNNCTWMKZLTOEB-MRVPVSSYSA-N -1 3 248.246 0.632 20 0 BCADHM O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1c[n-]nn1 ZINC000526960668 412354859 /nfs/dbraw/zinc/35/48/59/412354859.db2.gz HNNCTWMKZLTOEB-MRVPVSSYSA-N -1 3 248.246 0.632 20 0 BCADHM O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1cn[n-]n1 ZINC000526960668 412354864 /nfs/dbraw/zinc/35/48/64/412354864.db2.gz HNNCTWMKZLTOEB-MRVPVSSYSA-N -1 3 248.246 0.632 20 0 BCADHM COCC(COC)[N-]c1nnc(C(C)C)o1 ZINC000450795600 412355273 /nfs/dbraw/zinc/35/52/73/412355273.db2.gz UCAJQFJTCLKLTF-UHFFFAOYSA-N -1 3 229.280 1.266 20 0 BCADHM CCC[C@H](O)[C@@H](CO)[N-]c1nnc(C(C)C)o1 ZINC000413497401 412365266 /nfs/dbraw/zinc/36/52/66/412365266.db2.gz FZKAAAVOEGPZAL-BDAKNGLRSA-N -1 3 243.307 1.127 20 0 BCADHM CC(C)Cn1nccc1C[N-]c1nnco1 ZINC000647643474 412293248 /nfs/dbraw/zinc/29/32/48/412293248.db2.gz BZRCDXFVCWOWTM-UHFFFAOYSA-N -1 3 221.264 1.534 20 0 BCADHM Cc1cc(NCc2nc(CN)cc(=O)[n-]2)ncn1 ZINC000663277433 412406729 /nfs/dbraw/zinc/40/67/29/412406729.db2.gz OKXNDDIEFXXXTN-UHFFFAOYSA-N -1 3 246.274 0.351 20 0 BCADHM CCc1nn(C)c(CC)c1CC(=O)[N-]OC ZINC000187883558 172037683 /nfs/dbraw/zinc/03/76/83/172037683.db2.gz LXNDNSKBENNRON-UHFFFAOYSA-N -1 3 225.292 0.765 20 0 BCADHM CCn1cc(NC([O-])=NOCC(C)(C)O)cn1 ZINC000278734914 172180668 /nfs/dbraw/zinc/18/06/68/172180668.db2.gz WAIUVUOOWJYCHO-UHFFFAOYSA-N -1 3 242.279 0.727 20 0 BCADHM CCn1cc(NC(=O)[N-]OCC(C)(C)O)cn1 ZINC000278734914 172180674 /nfs/dbraw/zinc/18/06/74/172180674.db2.gz WAIUVUOOWJYCHO-UHFFFAOYSA-N -1 3 242.279 0.727 20 0 BCADHM CCn1cc(NC([O-])=NOCCCOC)cn1 ZINC000285176585 172180981 /nfs/dbraw/zinc/18/09/81/172180981.db2.gz UKRDUQDPJIZJNC-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM CCn1cc(NC(=O)[N-]OCCCOC)cn1 ZINC000285176585 172180985 /nfs/dbraw/zinc/18/09/85/172180985.db2.gz UKRDUQDPJIZJNC-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H]1CCCCO1 ZINC000285840788 172239271 /nfs/dbraw/zinc/23/92/71/172239271.db2.gz OTBWIPCKPOWCBU-MRVPVSSYSA-N -1 3 224.264 0.806 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1cncc(OC)n1 ZINC000285637572 172239358 /nfs/dbraw/zinc/23/93/58/172239358.db2.gz DBTIXPZTSAFQTA-UHFFFAOYSA-N -1 3 248.246 0.349 20 0 BCADHM CCn1ncc(C(=O)Nc2nc(C)ccc2[O-])n1 ZINC000293435918 172253810 /nfs/dbraw/zinc/25/38/10/172253810.db2.gz ABOZKDFZHYNLQP-UHFFFAOYSA-N -1 3 247.258 0.959 20 0 BCADHM CCn1ncc(C(=O)[N-]c2cc(C)on2)n1 ZINC000292907796 172254654 /nfs/dbraw/zinc/25/46/54/172254654.db2.gz YAEPQKQUFAXOOG-UHFFFAOYSA-N -1 3 221.220 0.847 20 0 BCADHM CN(C)C(=O)CC(=O)Nc1cccc([O-])c1F ZINC000336382542 172355725 /nfs/dbraw/zinc/35/57/25/172355725.db2.gz JOPYBWWSOZDLTA-UHFFFAOYSA-N -1 3 240.234 0.948 20 0 BCADHM CN(C)C(=O)CC[N-]C(=O)C(F)(F)C(F)F ZINC000176026012 172359040 /nfs/dbraw/zinc/35/90/40/172359040.db2.gz UIFNLZUHXPRXAF-UHFFFAOYSA-N -1 3 244.188 0.481 20 0 BCADHM CN(C)C(=O)C[N-]C(=O)C(C)(Cl)Cl ZINC000129002843 172367179 /nfs/dbraw/zinc/36/71/79/172367179.db2.gz XXSCHRJQEGKJFA-UHFFFAOYSA-N -1 3 227.091 0.385 20 0 BCADHM CN(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000037208122 172369308 /nfs/dbraw/zinc/36/93/08/172369308.db2.gz KHGGSRXHOCKPIS-UHFFFAOYSA-N -1 3 222.244 0.210 20 0 BCADHM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C)C1 ZINC000053247251 173043576 /nfs/dbraw/zinc/04/35/76/173043576.db2.gz QIDGQNQFFJQPDQ-JTQLQIEISA-N -1 3 249.314 0.953 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000291777559 173050689 /nfs/dbraw/zinc/05/06/89/173050689.db2.gz JEEYUWHZCCRXPZ-WGAJWPLOSA-N -1 3 218.684 0.881 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]OCc1cccnc1 ZINC000155914552 173051150 /nfs/dbraw/zinc/05/11/50/173051150.db2.gz OZUUUJUFJTTYPY-NSHDSACASA-N -1 3 235.287 0.724 20 0 BCADHM CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000019837121 173073631 /nfs/dbraw/zinc/07/36/31/173073631.db2.gz REAISKASHQSPQH-UHFFFAOYSA-N -1 3 220.272 0.780 20 0 BCADHM CN1C[C@@H]([N-]c2nnc(C(F)F)o2)CC1=O ZINC000292572674 173188403 /nfs/dbraw/zinc/18/84/03/173188403.db2.gz TUEXOQMOEWBXRZ-BYPYZUCNSA-N -1 3 232.190 0.650 20 0 BCADHM CNC(=O)C1CN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000186157019 173226303 /nfs/dbraw/zinc/22/63/03/173226303.db2.gz BZUZCBVBVJBNLD-UHFFFAOYSA-N -1 3 248.282 0.519 20 0 BCADHM CNC(=O)CN(C)C(=O)c1cccc(C)c1[O-] ZINC000037250613 173267448 /nfs/dbraw/zinc/26/74/48/173267448.db2.gz NELLKKBHZDCKKS-UHFFFAOYSA-N -1 3 236.271 0.519 20 0 BCADHM CNC(=O)NCCC(=O)Nc1ncccc1[O-] ZINC000293439281 173291007 /nfs/dbraw/zinc/29/10/07/173291007.db2.gz JQTCBUZMGNBOPG-UHFFFAOYSA-N -1 3 238.247 0.045 20 0 BCADHM CNC(=O)[C@@H](CO)[N-]c1nc(C(C)C)ns1 ZINC000302156236 173296392 /nfs/dbraw/zinc/29/63/92/173296392.db2.gz NRLYDOXDNXLBAO-ZCFIWIBFSA-N -1 3 244.320 0.180 20 0 BCADHM CNC(=O)[C@H](C)NCc1cc([O-])cc(F)c1 ZINC000159596140 173302967 /nfs/dbraw/zinc/30/29/67/173302967.db2.gz SMVOQRKTSNMHBT-ZETCQYMHSA-N -1 3 226.251 0.755 20 0 BCADHM CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000176956572 173311376 /nfs/dbraw/zinc/31/13/76/173311376.db2.gz IXKZJBOQHIIRMB-LBPRGKRZSA-N -1 3 247.254 0.101 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C=C1CCC1 ZINC000297839982 173314452 /nfs/dbraw/zinc/31/44/52/173314452.db2.gz WMVYPIGDFCWZPE-UHFFFAOYSA-N -1 3 235.247 0.213 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C=C1CCC1 ZINC000297839982 173314454 /nfs/dbraw/zinc/31/44/54/173314454.db2.gz WMVYPIGDFCWZPE-UHFFFAOYSA-N -1 3 235.247 0.213 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C=C1CCC1 ZINC000297839982 173314456 /nfs/dbraw/zinc/31/44/56/173314456.db2.gz WMVYPIGDFCWZPE-UHFFFAOYSA-N -1 3 235.247 0.213 20 0 BCADHM COC(=O)C1([N-]C(=O)C(C)(F)F)CC1 ZINC000294525581 173511177 /nfs/dbraw/zinc/51/11/77/173511177.db2.gz KKQLKUYSTJKJOU-UHFFFAOYSA-N -1 3 207.176 0.463 20 0 BCADHM COCC(C)(C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000340160110 174081474 /nfs/dbraw/zinc/08/14/74/174081474.db2.gz FUCGJDJSNCNPIL-UHFFFAOYSA-N -1 3 239.275 0.645 20 0 BCADHM COCCC(=O)NCc1ncccc1[O-] ZINC000352499266 174131545 /nfs/dbraw/zinc/13/15/45/174131545.db2.gz FIRSRNNVKREIAQ-UHFFFAOYSA-N -1 3 210.233 0.440 20 0 BCADHM COCCC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000066085953 174248228 /nfs/dbraw/zinc/24/82/28/174248228.db2.gz UWLFBZUFBTYVMV-UHFFFAOYSA-N -1 3 247.320 0.043 20 0 BCADHM COCCS(=O)(=O)[N-]Cc1ncc(C)o1 ZINC000331160017 174372741 /nfs/dbraw/zinc/37/27/41/174372741.db2.gz CKWJCXJWKCSSQB-UHFFFAOYSA-N -1 3 234.277 0.049 20 0 BCADHM COc1ccc(C(=O)N(C)CCO)c([O-])c1 ZINC000037853976 175054709 /nfs/dbraw/zinc/05/47/09/175054709.db2.gz ROMYBBJKZKJSRL-UHFFFAOYSA-N -1 3 225.244 0.465 20 0 BCADHM COc1ccc(C(=O)N2CC(C)(O)C2)c([O-])c1 ZINC000089645117 175054760 /nfs/dbraw/zinc/05/47/60/175054760.db2.gz XUAXUTPWGDLXMJ-UHFFFAOYSA-N -1 3 237.255 0.608 20 0 BCADHM COc1ccc(C(=O)N2CC(CO)C2)c([O-])c1 ZINC000091488916 175056190 /nfs/dbraw/zinc/05/61/90/175056190.db2.gz WGVQWQNJOYVTCD-UHFFFAOYSA-N -1 3 237.255 0.465 20 0 BCADHM COc1ccc(C(=O)NC2(CO)CC2)c([O-])c1 ZINC000162949507 175058804 /nfs/dbraw/zinc/05/88/04/175058804.db2.gz YRAYHQWSBBVASZ-UHFFFAOYSA-N -1 3 237.255 0.656 20 0 BCADHM COc1ccc(C(=O)NCC[C@@H](C)O)c([O-])c1 ZINC000085985819 175060416 /nfs/dbraw/zinc/06/04/16/175060416.db2.gz HXMCFCUTGHKSID-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM COc1ccncc1C[N-]C(=O)C(F)F ZINC000294734786 175369638 /nfs/dbraw/zinc/36/96/38/175369638.db2.gz XQMKDCQZOVIFNF-UHFFFAOYSA-N -1 3 216.187 0.972 20 0 BCADHM COc1nnc(NC(=O)[C@@H](C)C2CC2)[n-]1 ZINC000163838155 175393208 /nfs/dbraw/zinc/39/32/08/175393208.db2.gz FKNBIPCLKNXQNI-YFKPBYRVSA-N -1 3 210.237 0.798 20 0 BCADHM COc1nc(NC(=O)[C@@H](C)C2CC2)n[n-]1 ZINC000163838155 175393209 /nfs/dbraw/zinc/39/32/09/175393209.db2.gz FKNBIPCLKNXQNI-YFKPBYRVSA-N -1 3 210.237 0.798 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](C)C2CC2)n1 ZINC000163838155 175393210 /nfs/dbraw/zinc/39/32/10/175393210.db2.gz FKNBIPCLKNXQNI-YFKPBYRVSA-N -1 3 210.237 0.798 20 0 BCADHM COc1nnc(NC(=O)CSC(F)F)[n-]1 ZINC000295009395 175393216 /nfs/dbraw/zinc/39/32/16/175393216.db2.gz SPKOEOFAVRMIJT-UHFFFAOYSA-N -1 3 238.219 0.708 20 0 BCADHM COc1nc(NC(=O)CSC(F)F)n[n-]1 ZINC000295009395 175393217 /nfs/dbraw/zinc/39/32/17/175393217.db2.gz SPKOEOFAVRMIJT-UHFFFAOYSA-N -1 3 238.219 0.708 20 0 BCADHM COc1n[n-]c(NC(=O)CSC(F)F)n1 ZINC000295009395 175393218 /nfs/dbraw/zinc/39/32/18/175393218.db2.gz SPKOEOFAVRMIJT-UHFFFAOYSA-N -1 3 238.219 0.708 20 0 BCADHM COc1nnc(NC(=O)CCc2ccncn2)[n-]1 ZINC000277087389 175393860 /nfs/dbraw/zinc/39/38/60/175393860.db2.gz LFFJOBGFYKMZKM-UHFFFAOYSA-N -1 3 248.246 0.175 20 0 BCADHM COc1nc(NC(=O)CCc2ccncn2)n[n-]1 ZINC000277087389 175393861 /nfs/dbraw/zinc/39/38/61/175393861.db2.gz LFFJOBGFYKMZKM-UHFFFAOYSA-N -1 3 248.246 0.175 20 0 BCADHM COc1n[n-]c(NC(=O)CCc2ccncn2)n1 ZINC000277087389 175393862 /nfs/dbraw/zinc/39/38/62/175393862.db2.gz LFFJOBGFYKMZKM-UHFFFAOYSA-N -1 3 248.246 0.175 20 0 BCADHM COc1nnc(NC(=O)Cc2cccnc2)[n-]1 ZINC000127820455 175394288 /nfs/dbraw/zinc/39/42/88/175394288.db2.gz VENMTGKHEYXWPL-UHFFFAOYSA-N -1 3 233.231 0.390 20 0 BCADHM COc1nc(NC(=O)Cc2cccnc2)n[n-]1 ZINC000127820455 175394290 /nfs/dbraw/zinc/39/42/90/175394290.db2.gz VENMTGKHEYXWPL-UHFFFAOYSA-N -1 3 233.231 0.390 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2cccnc2)n1 ZINC000127820455 175394292 /nfs/dbraw/zinc/39/42/92/175394292.db2.gz VENMTGKHEYXWPL-UHFFFAOYSA-N -1 3 233.231 0.390 20 0 BCADHM COc1nnc(NC(=O)c2cc(C3CC3)[nH]n2)[n-]1 ZINC000182985154 175394372 /nfs/dbraw/zinc/39/43/72/175394372.db2.gz PEDRJJCCQMFGEI-UHFFFAOYSA-N -1 3 248.246 0.666 20 0 BCADHM COc1nc(NC(=O)c2cc(C3CC3)[nH]n2)n[n-]1 ZINC000182985154 175394373 /nfs/dbraw/zinc/39/43/73/175394373.db2.gz PEDRJJCCQMFGEI-UHFFFAOYSA-N -1 3 248.246 0.666 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(C3CC3)[nH]n2)n1 ZINC000182985154 175394374 /nfs/dbraw/zinc/39/43/74/175394374.db2.gz PEDRJJCCQMFGEI-UHFFFAOYSA-N -1 3 248.246 0.666 20 0 BCADHM COc1nnc(NC(=O)c2c[nH]c(C)n2)[n-]1 ZINC000271367447 175394533 /nfs/dbraw/zinc/39/45/33/175394533.db2.gz OTPPZLKSMXCIPM-UHFFFAOYSA-N -1 3 222.208 0.097 20 0 BCADHM COc1nc(NC(=O)c2c[nH]c(C)n2)n[n-]1 ZINC000271367447 175394536 /nfs/dbraw/zinc/39/45/36/175394536.db2.gz OTPPZLKSMXCIPM-UHFFFAOYSA-N -1 3 222.208 0.097 20 0 BCADHM COc1n[n-]c(NC(=O)c2c[nH]c(C)n2)n1 ZINC000271367447 175394538 /nfs/dbraw/zinc/39/45/38/175394538.db2.gz OTPPZLKSMXCIPM-UHFFFAOYSA-N -1 3 222.208 0.097 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCSC2)[n-]1 ZINC000129437389 175394590 /nfs/dbraw/zinc/39/45/90/175394590.db2.gz ZETAGOOWRFZHKW-RXMQYKEDSA-N -1 3 228.277 0.505 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCSC2)n[n-]1 ZINC000129437389 175394592 /nfs/dbraw/zinc/39/45/92/175394592.db2.gz ZETAGOOWRFZHKW-RXMQYKEDSA-N -1 3 228.277 0.505 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCSC2)n1 ZINC000129437389 175394594 /nfs/dbraw/zinc/39/45/94/175394594.db2.gz ZETAGOOWRFZHKW-RXMQYKEDSA-N -1 3 228.277 0.505 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)[n-]1 ZINC000282262330 175394857 /nfs/dbraw/zinc/39/48/57/175394857.db2.gz BZORXKNGMHLAMF-LYFYHCNISA-N -1 3 240.263 0.565 20 0 BCADHM COc1nc(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)n[n-]1 ZINC000282262330 175394858 /nfs/dbraw/zinc/39/48/58/175394858.db2.gz BZORXKNGMHLAMF-LYFYHCNISA-N -1 3 240.263 0.565 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)n1 ZINC000282262330 175394859 /nfs/dbraw/zinc/39/48/59/175394859.db2.gz BZORXKNGMHLAMF-LYFYHCNISA-N -1 3 240.263 0.565 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCCOC2)[n-]1 ZINC000126804154 175394865 /nfs/dbraw/zinc/39/48/65/175394865.db2.gz XSVIJTULGCUAEN-LURJTMIESA-N -1 3 226.236 0.178 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCCOC2)n[n-]1 ZINC000126804154 175394866 /nfs/dbraw/zinc/39/48/66/175394866.db2.gz XSVIJTULGCUAEN-LURJTMIESA-N -1 3 226.236 0.178 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCCOC2)n1 ZINC000126804154 175394867 /nfs/dbraw/zinc/39/48/67/175394867.db2.gz XSVIJTULGCUAEN-LURJTMIESA-N -1 3 226.236 0.178 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCO[C@H]2C)[n-]1 ZINC000129422808 175395151 /nfs/dbraw/zinc/39/51/51/175395151.db2.gz DQNZRKHFXFWWOA-WDSKDSINSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCO[C@H]2C)n[n-]1 ZINC000129422808 175395153 /nfs/dbraw/zinc/39/51/53/175395153.db2.gz DQNZRKHFXFWWOA-WDSKDSINSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCO[C@H]2C)n1 ZINC000129422808 175395155 /nfs/dbraw/zinc/39/51/55/175395155.db2.gz DQNZRKHFXFWWOA-WDSKDSINSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)c2snnc2C)n[n-]1 ZINC000129415862 175395861 /nfs/dbraw/zinc/39/58/61/175395861.db2.gz VLEVPFHJMFPOCL-UHFFFAOYSA-N -1 3 240.248 0.226 20 0 BCADHM COc1nnc(NC(=O)c2cnc(C)nc2C)[n-]1 ZINC000272582911 175396023 /nfs/dbraw/zinc/39/60/23/175396023.db2.gz WLNDKQSNYQBJDK-UHFFFAOYSA-N -1 3 248.246 0.472 20 0 BCADHM COc1nc(NC(=O)c2cnc(C)nc2C)n[n-]1 ZINC000272582911 175396025 /nfs/dbraw/zinc/39/60/25/175396025.db2.gz WLNDKQSNYQBJDK-UHFFFAOYSA-N -1 3 248.246 0.472 20 0 BCADHM COc1n[n-]c(NC(=O)c2cnc(C)nc2C)n1 ZINC000272582911 175396026 /nfs/dbraw/zinc/39/60/26/175396026.db2.gz WLNDKQSNYQBJDK-UHFFFAOYSA-N -1 3 248.246 0.472 20 0 BCADHM C[C@@H]1C(=O)NCCN1C(=O)c1cccc([O-])c1 ZINC000106359750 176046082 /nfs/dbraw/zinc/04/60/82/176046082.db2.gz ZLVJQZYQJGUXEY-MRVPVSSYSA-N -1 3 234.255 0.353 20 0 BCADHM C[C@@H]1CC(=O)NCCN1C(=O)c1ccccc1[O-] ZINC000377180027 176048994 /nfs/dbraw/zinc/04/89/94/176048994.db2.gz XDJJWDQAXMVOAB-SECBINFHSA-N -1 3 248.282 0.743 20 0 BCADHM C[C@@H]1CC/C(=C\C(=O)[N-]OCC(N)=O)C1 ZINC000271370715 176057095 /nfs/dbraw/zinc/05/70/95/176057095.db2.gz HTACXSKGDUEVMP-KBUNYLKBSA-N -1 3 212.249 0.266 20 0 BCADHM C[C@@H]1CC=CC[C@H]1C(=O)[N-]OCC(N)=O ZINC000285877617 176060003 /nfs/dbraw/zinc/06/00/03/176060003.db2.gz SDYXGXJKPBTLMO-HTQZYQBOSA-N -1 3 212.249 0.122 20 0 BCADHM C[C@@H]1CCC[C@]1(O)CNC(=O)c1c[n-]nn1 ZINC000294487528 176153178 /nfs/dbraw/zinc/15/31/78/176153178.db2.gz XLRUDHPNNIJYSL-XCBNKYQSSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@@H]1CCC[C@]1(O)CNC(=O)c1cnn[n-]1 ZINC000294487528 176153180 /nfs/dbraw/zinc/15/31/80/176153180.db2.gz XLRUDHPNNIJYSL-XCBNKYQSSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@@H]1CCC[C@]1(O)CNC(=O)c1cn[n-]n1 ZINC000294487528 176153182 /nfs/dbraw/zinc/15/31/82/176153182.db2.gz XLRUDHPNNIJYSL-XCBNKYQSSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000128836423 176213422 /nfs/dbraw/zinc/21/34/22/176213422.db2.gz JCDFWXRJJVFOQR-HTQZYQBOSA-N -1 3 229.305 0.877 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@H]1O ZINC000351848216 176261393 /nfs/dbraw/zinc/26/13/93/176261393.db2.gz ATZDMCINMNNHST-RDDDGLTNSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@H]1[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000332602757 176311434 /nfs/dbraw/zinc/31/14/34/176311434.db2.gz BCZHAAPAZFSDNQ-BWZBUEFSSA-N -1 3 210.281 0.987 20 0 BCADHM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C(C)(C)C1 ZINC000336447082 176311905 /nfs/dbraw/zinc/31/19/05/176311905.db2.gz KRYWSKFZGAJNOV-QMMMGPOBSA-N -1 3 224.308 0.729 20 0 BCADHM C[C@@H](C(=O)NC1CC1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000104214524 176314516 /nfs/dbraw/zinc/31/45/16/176314516.db2.gz PNOKEOXKILIJHQ-WEDXCCLWSA-N -1 3 240.303 0.306 20 0 BCADHM C[C@H](C(=O)[O-])N1C[C@@H](C)OC(C)(C)C1 ZINC000223413888 176317071 /nfs/dbraw/zinc/31/70/71/176317071.db2.gz UREAYQOWACMATO-HTQZYQBOSA-N -1 3 201.266 0.959 20 0 BCADHM C[C@@]1(O)CCCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000329971487 176541470 /nfs/dbraw/zinc/54/14/70/176541470.db2.gz YMWKMYJXWPILEQ-SNVBAGLBSA-N -1 3 242.300 0.836 20 0 BCADHM C[C@H]1C(=O)NCCN1Cc1cc([O-])cc(F)c1 ZINC000186201428 177059736 /nfs/dbraw/zinc/05/97/36/177059736.db2.gz GCIXVTLNZGXKHU-QMMMGPOBSA-N -1 3 238.262 0.852 20 0 BCADHM C[C@H]1CC(=O)NCCN1C(=O)c1cccc([O-])c1 ZINC000365009699 177062602 /nfs/dbraw/zinc/06/26/02/177062602.db2.gz HXGCOJOAYFYJIU-VIFPVBQESA-N -1 3 248.282 0.743 20 0 BCADHM C[C@H]1CC[C@@H](C(=O)NCc2ncccc2[O-])O1 ZINC000331024272 177182012 /nfs/dbraw/zinc/18/20/12/177182012.db2.gz SISNEXHNMSTABN-KWQFWETISA-N -1 3 236.271 0.971 20 0 BCADHM C[C@H]1CC[C@H](C)N1CC(=O)Nc1nnn[n-]1 ZINC000346178844 177198929 /nfs/dbraw/zinc/19/89/29/177198929.db2.gz CKBRRTLGQMAMAI-BQBZGAKWSA-N -1 3 224.268 0.011 20 0 BCADHM C[C@H]1CC[C@H](C)N1CC(=O)Nc1nn[n-]n1 ZINC000346178844 177198930 /nfs/dbraw/zinc/19/89/30/177198930.db2.gz CKBRRTLGQMAMAI-BQBZGAKWSA-N -1 3 224.268 0.011 20 0 BCADHM C[C@H]1CN(C(=O)c2c([O-])cccc2O)CCO1 ZINC000228854857 177225704 /nfs/dbraw/zinc/22/57/04/177225704.db2.gz JAYXHSLZKSALBZ-QMMMGPOBSA-N -1 3 237.255 0.959 20 0 BCADHM C[C@H]1C[C@@H](CNC(=O)c2c[n-]nn2)CCO1 ZINC000271447803 177324856 /nfs/dbraw/zinc/32/48/56/177324856.db2.gz YJTLTRNAGQGVKG-YUMQZZPRSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H]1C[C@@H](CNC(=O)c2cnn[n-]2)CCO1 ZINC000271447803 177324858 /nfs/dbraw/zinc/32/48/58/177324858.db2.gz YJTLTRNAGQGVKG-YUMQZZPRSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H]1C[C@@H](CNC(=O)c2cn[n-]n2)CCO1 ZINC000271447803 177324860 /nfs/dbraw/zinc/32/48/60/177324860.db2.gz YJTLTRNAGQGVKG-YUMQZZPRSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1[O-] ZINC000334220806 177336874 /nfs/dbraw/zinc/33/68/74/177336874.db2.gz SDTHDTGSEGPRBR-DTWKUNHWSA-N -1 3 221.256 0.988 20 0 BCADHM C[C@H]1C[C@@H](O)CN1C(=O)c1cccc([O-])c1 ZINC000335835399 177337332 /nfs/dbraw/zinc/33/73/32/177337332.db2.gz IHBOGCVDHRETIF-GZMMTYOYSA-N -1 3 221.256 0.988 20 0 BCADHM C[C@H]1CCCN1S(=O)(=O)[N-]c1cncnc1 ZINC000471961987 225091073 /nfs/dbraw/zinc/09/10/73/225091073.db2.gz YRHHRVZOMBDYSL-QMMMGPOBSA-N -1 3 242.304 0.618 20 0 BCADHM Cc1nnc(CC(=O)Nc2ncccc2[O-])o1 ZINC000487030596 225281140 /nfs/dbraw/zinc/28/11/40/225281140.db2.gz FMJMBJXYMUKCGS-UHFFFAOYSA-N -1 3 234.215 0.660 20 0 BCADHM COCc1nocc1C(=O)[N-]c1cnns1 ZINC000487348636 225301018 /nfs/dbraw/zinc/30/10/18/225301018.db2.gz CQGHNINIHLWYBR-UHFFFAOYSA-N -1 3 240.244 0.925 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@](C)(O)C1CCC1 ZINC000488359628 225387042 /nfs/dbraw/zinc/38/70/42/225387042.db2.gz TWPIBPFWCUWUPK-LLVKDONJSA-N -1 3 238.291 0.788 20 0 BCADHM C[C@H](Cc1ccncc1)NC(=O)c1c[n-]nn1 ZINC000487881217 225328709 /nfs/dbraw/zinc/32/87/09/225328709.db2.gz ZPHDCFPFRFPKDB-MRVPVSSYSA-N -1 3 231.259 0.561 20 0 BCADHM C[C@H](Cc1ccncc1)NC(=O)c1cnn[n-]1 ZINC000487881217 225328712 /nfs/dbraw/zinc/32/87/12/225328712.db2.gz ZPHDCFPFRFPKDB-MRVPVSSYSA-N -1 3 231.259 0.561 20 0 BCADHM C[C@H](Cc1ccncc1)NC(=O)c1cn[n-]n1 ZINC000487881217 225328715 /nfs/dbraw/zinc/32/87/15/225328715.db2.gz ZPHDCFPFRFPKDB-MRVPVSSYSA-N -1 3 231.259 0.561 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CC(O)C1 ZINC000492522954 226012430 /nfs/dbraw/zinc/01/24/30/226012430.db2.gz VNPPNERADUCUPL-OWOJBTEDSA-N -1 3 220.228 0.004 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NC[C@H](O)C1CC1 ZINC000492520516 226013021 /nfs/dbraw/zinc/01/30/21/226013021.db2.gz NDBQQXOSYFLUCK-YJEWXARHSA-N -1 3 248.282 0.688 20 0 BCADHM O=C(/C=C/c1cccnc1)[N-]OCCO ZINC000492676975 226036375 /nfs/dbraw/zinc/03/63/75/226036375.db2.gz JAVAFUIEQKKHKL-ONEGZZNKSA-N -1 3 208.217 0.135 20 0 BCADHM O=C(C=Cc1c[nH]cn1)NCc1ncccc1[O-] ZINC000492815472 226060035 /nfs/dbraw/zinc/06/00/35/226060035.db2.gz XDJXVBKZLGWDCD-ONEGZZNKSA-N -1 3 244.254 0.840 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NCC1(O)CCC1 ZINC000492873126 226071531 /nfs/dbraw/zinc/07/15/31/226071531.db2.gz TWHAYVKRBNIBRG-IHWYPQMZSA-N -1 3 248.282 0.832 20 0 BCADHM O=C(/C=C/c1cncc(F)c1)[N-]OCCCO ZINC000492987897 226098332 /nfs/dbraw/zinc/09/83/32/226098332.db2.gz DDVTXKDGZGVEOE-NSCUHMNNSA-N -1 3 240.234 0.664 20 0 BCADHM Cn1ccc(/C=C/C(=O)[N-]OCCCO)c1 ZINC000493469550 226225855 /nfs/dbraw/zinc/22/58/55/226225855.db2.gz XCORDJXWGZGXCB-ONEGZZNKSA-N -1 3 224.260 0.469 20 0 BCADHM Cn1cc(NC(=O)/C=C\c2cncc([O-])c2)nn1 ZINC000493488353 226230405 /nfs/dbraw/zinc/23/04/05/226230405.db2.gz GYWWYLXEMKUBHO-IHWYPQMZSA-N -1 3 245.242 0.568 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NCCF ZINC000493569111 226243967 /nfs/dbraw/zinc/24/39/67/226243967.db2.gz RMUNSOQCHCWDQV-OWOJBTEDSA-N -1 3 210.208 0.886 20 0 BCADHM O=C(/C=C/c1ncc[nH]1)[N-]O[C@@H]1CCOC1 ZINC000493807543 226255136 /nfs/dbraw/zinc/25/51/36/226255136.db2.gz DOYFIPJKMBWOOC-FHKCNRDCSA-N -1 3 223.232 0.260 20 0 BCADHM CC[C@@H](C)[C@H](N)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000087512946 487666123 /nfs/dbraw/zinc/66/61/23/487666123.db2.gz LIYBJDOHDLGSAF-UTLUCORTSA-N -1 3 244.335 0.833 20 0 BCADHM O=C([O-])C[C@@H]1COCCN1CC1CCC1 ZINC000087507623 487665984 /nfs/dbraw/zinc/66/59/84/487665984.db2.gz CFHNEMWXDFFQPB-SNVBAGLBSA-N -1 3 213.277 0.962 20 0 BCADHM CN(C)CCN(C)c1ncc(C(=O)[O-])s1 ZINC000082544013 487694305 /nfs/dbraw/zinc/69/43/05/487694305.db2.gz WKNNEWUQGCSYRK-UHFFFAOYSA-N -1 3 229.305 0.839 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000120752908 490068875 /nfs/dbraw/zinc/06/88/75/490068875.db2.gz VFSTVTIBSYVCIN-PHDIDXHHSA-N -1 3 242.304 0.484 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000120752908 490068879 /nfs/dbraw/zinc/06/88/79/490068879.db2.gz VFSTVTIBSYVCIN-PHDIDXHHSA-N -1 3 242.304 0.484 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000120752908 490068881 /nfs/dbraw/zinc/06/88/81/490068881.db2.gz VFSTVTIBSYVCIN-PHDIDXHHSA-N -1 3 242.304 0.484 20 0 BCADHM CCN(CC)CC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000653318080 487714788 /nfs/dbraw/zinc/71/47/88/487714788.db2.gz VPNBBVFTKBRRJY-UWVGGRQHSA-N -1 3 242.319 0.792 20 0 BCADHM CN(C)CCNc1ccc(C(=O)[O-])cn1 ZINC000019844630 487751211 /nfs/dbraw/zinc/75/12/11/487751211.db2.gz WMKRDLRJMINPIR-UHFFFAOYSA-N -1 3 209.249 0.753 20 0 BCADHM COCCO[N-]C(=O)CN(C)C(C)C ZINC000748766242 585195205 /nfs/dbraw/zinc/19/52/05/585195205.db2.gz BALLOMBQUZDKDI-UHFFFAOYSA-N -1 3 204.270 0.021 20 0 BCADHM O=C(CCc1ncc[nH]1)NCc1ncccc1[O-] ZINC000357463759 487768185 /nfs/dbraw/zinc/76/81/85/487768185.db2.gz HXHFOHGDYNFYNF-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CN1CC[C@H](C(=O)Nc2ncccc2[O-])C1=O ZINC000681349528 487781576 /nfs/dbraw/zinc/78/15/76/487781576.db2.gz BHICOLUNQDRTPY-SSDOTTSWSA-N -1 3 235.243 0.204 20 0 BCADHM O=C([N-]OCC(F)F)[C@@H]1C[C@]12CCOC2 ZINC000764378042 585464294 /nfs/dbraw/zinc/46/42/94/585464294.db2.gz HOZBSYUINRWRAA-RCOVLWMOSA-N -1 3 221.203 0.726 20 0 BCADHM C[C@@H]1C[C@H](C(=O)Nc2ccncc2[O-])CCO1 ZINC000408119847 487791678 /nfs/dbraw/zinc/79/16/78/487791678.db2.gz QSQXUMPOSWYJOR-RKDXNWHRSA-N -1 3 236.271 0.963 20 0 BCADHM CCO[N-]C(=O)CCCCC(=O)NC ZINC000779588951 585756612 /nfs/dbraw/zinc/75/66/12/585756612.db2.gz CVNPSZHCWKWUQA-UHFFFAOYSA-N -1 3 202.254 0.361 20 0 BCADHM O=S(=O)([N-]C[C@H]1C[C@@H](O)C1)c1ccco1 ZINC000625568767 487824461 /nfs/dbraw/zinc/82/44/61/487824461.db2.gz UJMVRBKJLAKHOG-OCAPTIKFSA-N -1 3 231.273 0.329 20 0 BCADHM CC[C@@H](C(=O)[N-]C1=NCCS1)[C@H](C)O ZINC000790070681 585957393 /nfs/dbraw/zinc/95/73/93/585957393.db2.gz ZBEPNWFNGPPWKA-NKWVEPMBSA-N -1 3 216.306 0.612 20 0 BCADHM O=C([O-])CN1CCC[C@H](OC(F)F)C1 ZINC000821530754 587126466 /nfs/dbraw/zinc/12/64/66/587126466.db2.gz HUJDTTOHOBFDGJ-LURJTMIESA-N -1 3 209.192 0.775 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1CCCCN1C ZINC000824041632 587250868 /nfs/dbraw/zinc/25/08/68/587250868.db2.gz MWIFQCDIAAQUPE-VIFPVBQESA-N -1 3 200.282 0.929 20 0 BCADHM CC(C)N1CCN(CCNC(=O)[O-])CC1 ZINC000824363437 587267654 /nfs/dbraw/zinc/26/76/54/587267654.db2.gz SOOMEYCVMYYBPV-UHFFFAOYSA-N -1 3 215.297 0.280 20 0 BCADHM CSCCO[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000834825594 587767949 /nfs/dbraw/zinc/76/79/49/587767949.db2.gz GUPZWIYQTIRTEH-JIGDXULJSA-N -1 3 217.290 0.290 20 0 BCADHM CCCCN(CCCOC(=O)[N-]C(N)=O)OC ZINC000496382272 528420518 /nfs/dbraw/zinc/42/05/18/528420518.db2.gz HXMOXKCDSUAVRE-UHFFFAOYSA-N -1 3 247.295 0.845 20 0 BCADHM CCOC=CC(=O)Nc1nnc(OC)[n-]1 ZINC000493547136 528501029 /nfs/dbraw/zinc/50/10/29/528501029.db2.gz FBRFHPQTTRSLFN-SNAWJCMRSA-N -1 3 212.209 0.302 20 0 BCADHM CCOC=CC(=O)Nc1n[n-]c(OC)n1 ZINC000493547136 528501035 /nfs/dbraw/zinc/50/10/35/528501035.db2.gz FBRFHPQTTRSLFN-SNAWJCMRSA-N -1 3 212.209 0.302 20 0 BCADHM CCO/C=C/C(=O)Nc1nc(OC)n[n-]1 ZINC000493547136 528501041 /nfs/dbraw/zinc/50/10/41/528501041.db2.gz FBRFHPQTTRSLFN-SNAWJCMRSA-N -1 3 212.209 0.302 20 0 BCADHM CCOC([O-])=NOC[C@@H](O)COC(C)C ZINC000496198399 529084717 /nfs/dbraw/zinc/08/47/17/529084717.db2.gz ZSIWLKYIGDKYIZ-QMMMGPOBSA-N -1 3 221.253 0.450 20 0 BCADHM CCOC(=O)[N-]OC[C@@H](O)COC(C)C ZINC000496198399 529084721 /nfs/dbraw/zinc/08/47/21/529084721.db2.gz ZSIWLKYIGDKYIZ-QMMMGPOBSA-N -1 3 221.253 0.450 20 0 BCADHM O=C(Nc1cnc(C2CC2)nc1)c1nc[n-]n1 ZINC000676527508 487865848 /nfs/dbraw/zinc/86/58/48/487865848.db2.gz XTYQCDDBVBTEBH-UHFFFAOYSA-N -1 3 230.231 0.724 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000323931819 487879566 /nfs/dbraw/zinc/87/95/66/487879566.db2.gz YCGSPKOZGDJBCI-MRVPVSSYSA-N -1 3 229.305 0.877 20 0 BCADHM C[C@@H](NC(=O)c1cccc2nn[n-]c21)C(C)(C)O ZINC000682162590 487920216 /nfs/dbraw/zinc/92/02/16/487920216.db2.gz XIMCOUMDAJODHG-SSDOTTSWSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)C(C)(C)O ZINC000682162590 487920221 /nfs/dbraw/zinc/92/02/21/487920221.db2.gz XIMCOUMDAJODHG-SSDOTTSWSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)C(C)(C)O ZINC000682162590 487920229 /nfs/dbraw/zinc/92/02/29/487920229.db2.gz XIMCOUMDAJODHG-SSDOTTSWSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@@H](CNC(=O)[C@H]1NCCCC1(C)C)C(=O)[O-] ZINC000235153105 487925663 /nfs/dbraw/zinc/92/56/63/487925663.db2.gz DODURALFNIPNHF-DTWKUNHWSA-N -1 3 242.319 0.602 20 0 BCADHM C[C@H]1CN(C)CCN1c1nc2nncc-2c(O)[n-]1 ZINC000682392179 487945315 /nfs/dbraw/zinc/94/53/15/487945315.db2.gz BQZROBWQSKZCOK-ZETCQYMHSA-N -1 3 248.290 0.199 20 0 BCADHM CC[C@@H](O)CC[N-]S(=O)(=O)c1ccco1 ZINC000188768138 487949263 /nfs/dbraw/zinc/94/92/63/487949263.db2.gz WCIDRAXOBZDMOH-MRVPVSSYSA-N -1 3 233.289 0.719 20 0 BCADHM Cc1cc(CNC(=O)Cc2cncc([O-])c2)on1 ZINC000562864870 323032404 /nfs/dbraw/zinc/03/24/04/323032404.db2.gz HUTCQMRQZZQSQE-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM CCC1(C[N-]S(=O)(=O)c2ccn(C)n2)CC1 ZINC000563062697 323083762 /nfs/dbraw/zinc/08/37/62/323083762.db2.gz GGEXBJZLWRZRSJ-UHFFFAOYSA-N -1 3 243.332 0.889 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)[C@H]1CC12CCCC2 ZINC000563161689 323097772 /nfs/dbraw/zinc/09/77/72/323097772.db2.gz BKYJOADXGDSKSQ-ZCFIWIBFSA-N -1 3 249.274 0.422 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)[C@H]1CC12CCCC2 ZINC000563161689 323097773 /nfs/dbraw/zinc/09/77/73/323097773.db2.gz BKYJOADXGDSKSQ-ZCFIWIBFSA-N -1 3 249.274 0.422 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)[C@H]1CC12CCCC2 ZINC000563161689 323097774 /nfs/dbraw/zinc/09/77/74/323097774.db2.gz BKYJOADXGDSKSQ-ZCFIWIBFSA-N -1 3 249.274 0.422 20 0 BCADHM NC(=O)N[C@@H]1CCN(Cc2ncccc2[O-])C1 ZINC000571207419 323137934 /nfs/dbraw/zinc/13/79/34/323137934.db2.gz QQHZKPZBUFAGBM-MRVPVSSYSA-N -1 3 236.275 0.030 20 0 BCADHM NC(=O)Nc1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000048890291 323155715 /nfs/dbraw/zinc/15/57/15/323155715.db2.gz GBLIRACOHCULHY-UHFFFAOYSA-N -1 3 246.230 0.548 20 0 BCADHM NC(=O)Nc1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC000048890291 323155716 /nfs/dbraw/zinc/15/57/16/323155716.db2.gz GBLIRACOHCULHY-UHFFFAOYSA-N -1 3 246.230 0.548 20 0 BCADHM NC(=O)Nc1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000048890291 323155717 /nfs/dbraw/zinc/15/57/17/323155717.db2.gz GBLIRACOHCULHY-UHFFFAOYSA-N -1 3 246.230 0.548 20 0 BCADHM COC[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000152373582 323179969 /nfs/dbraw/zinc/17/99/69/323179969.db2.gz SVRUUWNOVVLJNW-MRVPVSSYSA-N -1 3 245.304 0.113 20 0 BCADHM O=C(NCC1COC1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000530119975 323199610 /nfs/dbraw/zinc/19/96/10/323199610.db2.gz YEVJMCAMVBDARK-UHFFFAOYSA-N -1 3 247.254 0.645 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CC(CCO)C1 ZINC000526120413 323231964 /nfs/dbraw/zinc/23/19/64/323231964.db2.gz BKFYBTCMCQWQJJ-UHFFFAOYSA-N -1 3 246.270 0.412 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CC(CCO)C1 ZINC000526120413 323231969 /nfs/dbraw/zinc/23/19/69/323231969.db2.gz BKFYBTCMCQWQJJ-UHFFFAOYSA-N -1 3 246.270 0.412 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CC(CCO)C1 ZINC000526120413 323231970 /nfs/dbraw/zinc/23/19/70/323231970.db2.gz BKFYBTCMCQWQJJ-UHFFFAOYSA-N -1 3 246.270 0.412 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(C)CC1 ZINC000532375855 323256150 /nfs/dbraw/zinc/25/61/50/323256150.db2.gz LGAPIGODHMGASX-QMMMGPOBSA-N -1 3 223.276 0.415 20 0 BCADHM O=S(=O)([N-]CCCF)c1cncc(F)c1 ZINC000532608602 323279751 /nfs/dbraw/zinc/27/97/51/323279751.db2.gz IKSGHJMFRPSWMI-UHFFFAOYSA-N -1 3 236.243 0.859 20 0 BCADHM CNC(=O)C1CN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000186174779 324182469 /nfs/dbraw/zinc/18/24/69/324182469.db2.gz YABUIFSLLUIKAM-UHFFFAOYSA-N -1 3 248.282 0.519 20 0 BCADHM Cc1cocc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000529398835 324287458 /nfs/dbraw/zinc/28/74/58/324287458.db2.gz URPJRSPAFKAFQD-UHFFFAOYSA-N -1 3 249.270 0.974 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1CCCC12CC2 ZINC000529401776 324287566 /nfs/dbraw/zinc/28/75/66/324287566.db2.gz FWUGVHRCQQHZSI-SSDOTTSWSA-N -1 3 246.274 0.971 20 0 BCADHM C[C@@H]1[C@@H](C(=O)[N-]c2nnc3[nH]cnn23)[C@H]1C1CC1 ZINC000529405866 324287977 /nfs/dbraw/zinc/28/79/77/324287977.db2.gz XXJRVGCTKIWZRF-UIISKDMLSA-N -1 3 246.274 0.683 20 0 BCADHM C[C@@H]1[C@@H](C(=O)[N-]c2nnc3[nH]cnn23)[C@@H]1C1CC1 ZINC000529405863 324288084 /nfs/dbraw/zinc/28/80/84/324288084.db2.gz XXJRVGCTKIWZRF-APQOSEDMSA-N -1 3 246.274 0.683 20 0 BCADHM COc1cccc(C(=O)NCC2COC2)c1[O-] ZINC000530114648 324475743 /nfs/dbraw/zinc/47/57/43/324475743.db2.gz YUACWXRYCRSTFD-UHFFFAOYSA-N -1 3 237.255 0.777 20 0 BCADHM C[C@@H](CC(N)=O)NC(=O)c1ccccc1[O-] ZINC000128244288 324813520 /nfs/dbraw/zinc/81/35/20/324813520.db2.gz SGJBGOGJLZZPCP-ZETCQYMHSA-N -1 3 222.244 0.386 20 0 BCADHM N=c1nc(N2C[C@H]3CCC[C@@H]3C2)nc2[nH][n-]cc1-2 ZINC000540392435 324898431 /nfs/dbraw/zinc/89/84/31/324898431.db2.gz IXTNGBKYFZZIME-HTQZYQBOSA-N -1 3 244.302 0.953 20 0 BCADHM CCn1ccnc1CNCc1cnc(C)[n-]c1=O ZINC000542305982 325020240 /nfs/dbraw/zinc/02/02/40/325020240.db2.gz AIITYIHBFAGAAI-UHFFFAOYSA-N -1 3 247.302 0.997 20 0 BCADHM C[C@@H](N(C)Cc1nc(=O)n(C)[n-]1)C(C)(C)C ZINC000542519806 325033100 /nfs/dbraw/zinc/03/31/00/325033100.db2.gz OHRSGVGMTQVTNQ-MRVPVSSYSA-N -1 3 226.324 0.975 20 0 BCADHM C[C@H](N(C)Cc1nc(=O)n(C)[n-]1)C(C)(C)C ZINC000542519807 325033534 /nfs/dbraw/zinc/03/35/34/325033534.db2.gz OHRSGVGMTQVTNQ-QMMMGPOBSA-N -1 3 226.324 0.975 20 0 BCADHM Cc1ncc(CNC(=O)NC2CCC2)c(=O)[n-]1 ZINC000543196718 325077240 /nfs/dbraw/zinc/07/72/40/325077240.db2.gz PXZZATDJYJUUAC-UHFFFAOYSA-N -1 3 236.275 0.842 20 0 BCADHM CCN(CCO)C(=O)c1cccc2[n-]nnc21 ZINC000543749743 325109891 /nfs/dbraw/zinc/10/98/91/325109891.db2.gz QRBVAJNJZVHBMP-UHFFFAOYSA-N -1 3 234.259 0.412 20 0 BCADHM CCN(CCO)C(=O)c1cccc2nn[n-]c21 ZINC000543749743 325109893 /nfs/dbraw/zinc/10/98/93/325109893.db2.gz QRBVAJNJZVHBMP-UHFFFAOYSA-N -1 3 234.259 0.412 20 0 BCADHM CCN(CCO)C(=O)c1cccc2n[n-]nc21 ZINC000543749743 325109895 /nfs/dbraw/zinc/10/98/95/325109895.db2.gz QRBVAJNJZVHBMP-UHFFFAOYSA-N -1 3 234.259 0.412 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCOCC1 ZINC000543750787 325110428 /nfs/dbraw/zinc/11/04/28/325110428.db2.gz KPEKQCQSHAXDAU-UHFFFAOYSA-N -1 3 232.243 0.430 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCOCC1 ZINC000543750787 325110431 /nfs/dbraw/zinc/11/04/31/325110431.db2.gz KPEKQCQSHAXDAU-UHFFFAOYSA-N -1 3 232.243 0.430 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCOCC1 ZINC000543750787 325110433 /nfs/dbraw/zinc/11/04/33/325110433.db2.gz KPEKQCQSHAXDAU-UHFFFAOYSA-N -1 3 232.243 0.430 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccnn1C ZINC000131259313 325131051 /nfs/dbraw/zinc/13/10/51/325131051.db2.gz UMNHUGRHPNRAFV-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM N=c1nc(N2CC[C@H](C3CC3)C2)nc2[nH][n-]cc1-2 ZINC000545474820 325224612 /nfs/dbraw/zinc/22/46/12/325224612.db2.gz PNIRCLGTUODNBR-QMMMGPOBSA-N -1 3 244.302 0.953 20 0 BCADHM [O-]c1cccnc1CN1CCC[C@@H]1CO ZINC000564297442 325251144 /nfs/dbraw/zinc/25/11/44/325251144.db2.gz WGLJNNWHGPVKSM-SECBINFHSA-N -1 3 208.261 0.744 20 0 BCADHM C[C@@H]1C[N@@H+](Cc2ncccc2[O-])CC[C@H]1O ZINC000564302997 325281549 /nfs/dbraw/zinc/28/15/49/325281549.db2.gz YGWSLTDHGPKDBL-MWLCHTKSSA-N -1 3 222.288 0.990 20 0 BCADHM C[C@@H]1CN(Cc2ncccc2[O-])CC[C@H]1O ZINC000564302997 325281551 /nfs/dbraw/zinc/28/15/51/325281551.db2.gz YGWSLTDHGPKDBL-MWLCHTKSSA-N -1 3 222.288 0.990 20 0 BCADHM Cc1noc([C@H](C)[N-]S(=O)(=O)NC2CC2)n1 ZINC000547473903 325360165 /nfs/dbraw/zinc/36/01/65/325360165.db2.gz JVRLARHYUCHOTI-YFKPBYRVSA-N -1 3 246.292 0.025 20 0 BCADHM c1[n-][nH]c2ncnc(=NCCOCC3CCC3)c1-2 ZINC000564647939 325801047 /nfs/dbraw/zinc/80/10/47/325801047.db2.gz RYPAMVCQBZQLAV-UHFFFAOYSA-N -1 3 247.302 0.955 20 0 BCADHM CNC(=O)[C@@H](NCc1ncccc1[O-])C(C)C ZINC000565860036 325966188 /nfs/dbraw/zinc/96/61/88/325966188.db2.gz JYOSGTPBPSDPEL-NSHDSACASA-N -1 3 237.303 0.647 20 0 BCADHM CCOCCC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000566971876 326097889 /nfs/dbraw/zinc/09/78/89/326097889.db2.gz QXVQMJFZSAIDRL-UHFFFAOYSA-N -1 3 247.320 0.125 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@]1(C)C[C@H]1F ZINC000567493485 326203765 /nfs/dbraw/zinc/20/37/65/326203765.db2.gz CEVBRQQLROWBPT-XLDPMVHQSA-N -1 3 241.266 0.363 20 0 BCADHM NCC(F)(F)CC(=O)Nc1ncccc1[O-] ZINC000568102508 326308418 /nfs/dbraw/zinc/30/84/18/326308418.db2.gz ZGCLOCGTTRUXLQ-UHFFFAOYSA-N -1 3 231.202 0.710 20 0 BCADHM CC[C@@H](CCO)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000158938778 326346634 /nfs/dbraw/zinc/34/66/34/326346634.db2.gz LYVNCFZPNKCXCA-QMMMGPOBSA-N -1 3 239.275 0.381 20 0 BCADHM C[C@@H](O)CCCNC(=O)Cc1cncc([O-])c1 ZINC000568647103 326370758 /nfs/dbraw/zinc/37/07/58/326370758.db2.gz KMQNBGGAWCSICJ-SECBINFHSA-N -1 3 238.287 0.607 20 0 BCADHM C[C@H](CNC(=O)[C@H]1NCCCC1(C)C)C(=O)[O-] ZINC000235493606 487974404 /nfs/dbraw/zinc/97/44/04/487974404.db2.gz DODURALFNIPNHF-RKDXNWHRSA-N -1 3 242.319 0.602 20 0 BCADHM CCN1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000665669581 487973930 /nfs/dbraw/zinc/97/39/30/487973930.db2.gz TULDRTNGGZOQAR-MRVPVSSYSA-N -1 3 238.291 0.248 20 0 BCADHM C[C@@H]1CN(C(=O)Cc2cncc([O-])c2)CCC1=O ZINC000655393001 488004148 /nfs/dbraw/zinc/00/41/48/488004148.db2.gz HRARZNBOHOLBMY-SECBINFHSA-N -1 3 248.282 0.767 20 0 BCADHM CC[C@@H](C)[C@H](N)C(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000044624923 488028947 /nfs/dbraw/zinc/02/89/47/488028947.db2.gz PNQGVNXAKLWQOT-VGMNWLOBSA-N -1 3 230.308 0.681 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)C1(N)CCCC1 ZINC000044625390 488030113 /nfs/dbraw/zinc/03/01/13/488030113.db2.gz QNNVHVAVXRGZSN-MRVPVSSYSA-N -1 3 228.292 0.580 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)C1(N)CCCC1 ZINC000044625387 488030167 /nfs/dbraw/zinc/03/01/67/488030167.db2.gz QNNVHVAVXRGZSN-QMMMGPOBSA-N -1 3 228.292 0.580 20 0 BCADHM Cn1nnc(COc2ccc3c([O-])coc3c2)n1 ZINC000236151948 488043521 /nfs/dbraw/zinc/04/35/21/488043521.db2.gz TWKVANFPPHFGAO-UHFFFAOYSA-N -1 3 246.226 0.364 20 0 BCADHM O=C(NC1COC1)c1ccc(O)cc1[O-] ZINC000236559215 488071326 /nfs/dbraw/zinc/07/13/26/488071326.db2.gz HLWSRHYPZGVTAA-UHFFFAOYSA-N -1 3 209.201 0.226 20 0 BCADHM CCCOCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673546195 488073213 /nfs/dbraw/zinc/07/32/13/488073213.db2.gz SDMDMRYIUXWOJM-UHFFFAOYSA-N -1 3 241.291 0.185 20 0 BCADHM CNC(=O)C1(C(=O)Nc2ncccc2[O-])CCC1 ZINC000680007430 487516687 /nfs/dbraw/zinc/51/66/87/487516687.db2.gz BSTJULWWAITRBD-UHFFFAOYSA-N -1 3 249.270 0.642 20 0 BCADHM Cc1cc(CN=c2ncnc3[nH][n-]cc2-3)ncn1 ZINC000677412990 488031338 /nfs/dbraw/zinc/03/13/38/488031338.db2.gz DTYMBVDNJAHVLL-UHFFFAOYSA-N -1 3 241.258 0.437 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccco1 ZINC000532492951 488165434 /nfs/dbraw/zinc/16/54/34/488165434.db2.gz AXHPSUREOSKPPY-SNVBAGLBSA-N -1 3 249.270 0.450 20 0 BCADHM CO[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2 ZINC000308424604 488203528 /nfs/dbraw/zinc/20/35/28/488203528.db2.gz QZEUNHIOTZGSCB-SFYZADRCSA-N -1 3 238.291 0.145 20 0 BCADHM CCCN1CC[C@@H](NC(=O)C(C)(C)C(=O)[O-])C1 ZINC000389281454 488207326 /nfs/dbraw/zinc/20/73/26/488207326.db2.gz IBMMYIUEEOYQPW-SECBINFHSA-N -1 3 242.319 0.698 20 0 BCADHM O=C(NCCCn1cncn1)c1ccccc1[O-] ZINC000078789476 488229587 /nfs/dbraw/zinc/22/95/87/488229587.db2.gz ZVNBEFOMDAEEDS-UHFFFAOYSA-N -1 3 246.270 0.804 20 0 BCADHM Cn1[n-]nnc1=NC[C@H]1N(C)CCCC1(C)C ZINC000684090509 488265535 /nfs/dbraw/zinc/26/55/35/488265535.db2.gz IISJRNMDKOIACK-SECBINFHSA-N -1 3 238.339 0.164 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H](O)[C@@H](C)C2)n1 ZINC000684094427 488265895 /nfs/dbraw/zinc/26/58/95/488265895.db2.gz QJRUHZGWCSIFSD-HGNGGELXSA-N -1 3 237.303 0.864 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC2(CO)CC2)o1 ZINC000678616672 488273061 /nfs/dbraw/zinc/27/30/61/488273061.db2.gz BLLGUEYJLGUTJX-UHFFFAOYSA-N -1 3 245.300 0.639 20 0 BCADHM COc1nc(NC(=O)[C@H]2CC23CCC3)n[n-]1 ZINC000679320166 488335498 /nfs/dbraw/zinc/33/54/98/488335498.db2.gz MZITWNSCKRGTKZ-ZCFIWIBFSA-N -1 3 222.248 0.942 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CC23CCC3)[n-]1 ZINC000679320166 488335499 /nfs/dbraw/zinc/33/54/99/488335499.db2.gz MZITWNSCKRGTKZ-ZCFIWIBFSA-N -1 3 222.248 0.942 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CC23CCC3)n1 ZINC000679320166 488335500 /nfs/dbraw/zinc/33/55/00/488335500.db2.gz MZITWNSCKRGTKZ-ZCFIWIBFSA-N -1 3 222.248 0.942 20 0 BCADHM CN(C[C@H](O)C1CC1)C(=O)c1csc(=O)[n-]1 ZINC000684289042 488286899 /nfs/dbraw/zinc/28/68/99/488286899.db2.gz XKNCBTLQMVWJIX-QMMMGPOBSA-N -1 3 242.300 0.692 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccncc1 ZINC000673546241 488295490 /nfs/dbraw/zinc/29/54/90/488295490.db2.gz WRPCUQGSEKITPH-UHFFFAOYSA-N -1 3 246.270 0.468 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccc[nH]1 ZINC000673545491 488295630 /nfs/dbraw/zinc/29/56/30/488295630.db2.gz WBMJYACWCKJTLJ-UHFFFAOYSA-N -1 3 234.259 0.401 20 0 BCADHM CC[C@@H](OC)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673546248 488295688 /nfs/dbraw/zinc/29/56/88/488295688.db2.gz XFOMFKUKYUJTNS-SECBINFHSA-N -1 3 241.291 0.184 20 0 BCADHM CN1CCCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000684351120 488298531 /nfs/dbraw/zinc/29/85/31/488298531.db2.gz SLQMVBAMBLOIHT-LLVKDONJSA-N -1 3 249.314 0.888 20 0 BCADHM CCC[C@@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000673633894 488298761 /nfs/dbraw/zinc/29/87/61/488298761.db2.gz RDNHJALDKYIESG-RXMQYKEDSA-N -1 3 240.263 0.388 20 0 BCADHM OCc1nnc(Sc2ncncc2Cl)[n-]1 ZINC000684589454 488329095 /nfs/dbraw/zinc/32/90/95/488329095.db2.gz MLPZTFDOVKJGMO-UHFFFAOYSA-N -1 3 243.679 0.892 20 0 BCADHM OCc1nc(Sc2ncncc2Cl)n[n-]1 ZINC000684589454 488329097 /nfs/dbraw/zinc/32/90/97/488329097.db2.gz MLPZTFDOVKJGMO-UHFFFAOYSA-N -1 3 243.679 0.892 20 0 BCADHM O=C(Nc1ccn2ccnc2c1)c1cnn[n-]1 ZINC000684821695 488346592 /nfs/dbraw/zinc/34/65/92/488346592.db2.gz XFXIDLKGKKYEAZ-UHFFFAOYSA-N -1 3 228.215 0.705 20 0 BCADHM O=C(Nc1ccn2ccnc2c1)c1c[n-]nn1 ZINC000684821695 488346593 /nfs/dbraw/zinc/34/65/93/488346593.db2.gz XFXIDLKGKKYEAZ-UHFFFAOYSA-N -1 3 228.215 0.705 20 0 BCADHM O=C(Nc1ccn2ccnc2c1)c1cn[n-]n1 ZINC000684821695 488346595 /nfs/dbraw/zinc/34/65/95/488346595.db2.gz XFXIDLKGKKYEAZ-UHFFFAOYSA-N -1 3 228.215 0.705 20 0 BCADHM O=C(N[C@H]1C[C@@H]1c1cccnc1)c1c[n-]nn1 ZINC000684826368 488347035 /nfs/dbraw/zinc/34/70/35/488347035.db2.gz MSBPYSUAMGSSHA-BDAKNGLRSA-N -1 3 229.243 0.486 20 0 BCADHM O=C(N[C@H]1C[C@@H]1c1cccnc1)c1cnn[n-]1 ZINC000684826368 488347037 /nfs/dbraw/zinc/34/70/37/488347037.db2.gz MSBPYSUAMGSSHA-BDAKNGLRSA-N -1 3 229.243 0.486 20 0 BCADHM O=C(N[C@H]1C[C@@H]1c1cccnc1)c1cn[n-]n1 ZINC000684826368 488347040 /nfs/dbraw/zinc/34/70/40/488347040.db2.gz MSBPYSUAMGSSHA-BDAKNGLRSA-N -1 3 229.243 0.486 20 0 BCADHM Cc1ccc(N(C)C[C@@H](C)c2nnn[n-]2)nn1 ZINC000095342232 490227028 /nfs/dbraw/zinc/22/70/28/490227028.db2.gz DKWLCPNLOVJVLM-SSDOTTSWSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1ccc(N(C)C[C@@H](C)c2nn[n-]n2)nn1 ZINC000095342232 490227034 /nfs/dbraw/zinc/22/70/34/490227034.db2.gz DKWLCPNLOVJVLM-SSDOTTSWSA-N -1 3 233.279 0.538 20 0 BCADHM O=c1[n-]c(CN2C[C@H]3CCC[C@@H]3C2)n[nH]1 ZINC000092619088 490359338 /nfs/dbraw/zinc/35/93/38/490359338.db2.gz CLELMIOSNICGOE-HTQZYQBOSA-N -1 3 208.265 0.330 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)N(C)C ZINC000130969313 490466376 /nfs/dbraw/zinc/46/63/76/490466376.db2.gz PNJIZUIMUUJZEQ-LURJTMIESA-N -1 3 240.263 0.085 20 0 BCADHM CN(C)S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000306571710 490643198 /nfs/dbraw/zinc/64/31/98/490643198.db2.gz AMFSUONUZWSOEO-ZCFIWIBFSA-N -1 3 228.264 0.570 20 0 BCADHM COC(=O)c1c(C)[n-]c(=O)nc1SCCF ZINC000078951017 491130747 /nfs/dbraw/zinc/13/07/47/491130747.db2.gz ZAZNQARODAYPLG-UHFFFAOYSA-N -1 3 246.263 0.927 20 0 BCADHM O=C(NCC1(CO)CC1)c1ccccc1[O-] ZINC000132151126 491134521 /nfs/dbraw/zinc/13/45/21/491134521.db2.gz IOCIQRQMXIZFNP-UHFFFAOYSA-N -1 3 221.256 0.895 20 0 BCADHM COC(=O)c1cc([N-]C(=O)C2(F)CC2)on1 ZINC000891277217 582652301 /nfs/dbraw/zinc/65/23/01/582652301.db2.gz BSWBSFZKUMBMET-UHFFFAOYSA-N -1 3 228.179 0.902 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H]1CCCSC1 ZINC000891339492 582666681 /nfs/dbraw/zinc/66/66/81/582666681.db2.gz CZVPPTNVRUCUOZ-ZETCQYMHSA-N -1 3 241.320 0.775 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]O[C@H]1CCOC1 ZINC000492869673 534802806 /nfs/dbraw/zinc/80/28/06/534802806.db2.gz VBVOKKGKRYUXIW-IYABHPQVSA-N -1 3 223.232 0.260 20 0 BCADHM CC1(O)CN(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000492760492 528044724 /nfs/dbraw/zinc/04/47/24/528044724.db2.gz DPQRDRVFQDTDDI-NSCUHMNNSA-N -1 3 234.255 0.394 20 0 BCADHM CCCNC(=O)CNC(=O)c1csc(=O)[n-]1 ZINC000471633306 528401333 /nfs/dbraw/zinc/40/13/33/528401333.db2.gz AQRLHMGDWBWYCY-UHFFFAOYSA-N -1 3 243.288 0.105 20 0 BCADHM CCCCN(CCCOC([O-])=NC(N)=O)OC ZINC000496382272 528420505 /nfs/dbraw/zinc/42/05/05/528420505.db2.gz HXMOXKCDSUAVRE-UHFFFAOYSA-N -1 3 247.295 0.845 20 0 BCADHM CCCCN(CCCOC(=O)N=C(N)[O-])OC ZINC000496382272 528420513 /nfs/dbraw/zinc/42/05/13/528420513.db2.gz HXMOXKCDSUAVRE-UHFFFAOYSA-N -1 3 247.295 0.845 20 0 BCADHM CCO/C=C/C(=O)Nc1[n-]cnc1C(=O)OC ZINC000493868576 528497453 /nfs/dbraw/zinc/49/74/53/528497453.db2.gz JNERCDFSTYNXEP-SNAWJCMRSA-N -1 3 239.231 0.685 20 0 BCADHM CCOC=CC(=O)Nc1nc[n-]c1C(=O)OC ZINC000493868576 528497459 /nfs/dbraw/zinc/49/74/59/528497459.db2.gz JNERCDFSTYNXEP-SNAWJCMRSA-N -1 3 239.231 0.685 20 0 BCADHM CCO/C=C\C(=O)Nc1[n-]cnc1C(=O)OC ZINC000493868575 528538794 /nfs/dbraw/zinc/53/87/94/528538794.db2.gz JNERCDFSTYNXEP-PLNGDYQASA-N -1 3 239.231 0.685 20 0 BCADHM CCOC=CC(=O)Nc1nc[n-]c1C(=O)OC ZINC000493868575 528538799 /nfs/dbraw/zinc/53/87/99/528538799.db2.gz JNERCDFSTYNXEP-PLNGDYQASA-N -1 3 239.231 0.685 20 0 BCADHM CCCO[N-]C(=O)/C=C\c1ccncn1 ZINC000493234562 528601165 /nfs/dbraw/zinc/60/11/65/528601165.db2.gz PIFIKNARKZQEST-ARJAWSKDSA-N -1 3 207.233 0.948 20 0 BCADHM CC(C)[C@H](C)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176258642 534921745 /nfs/dbraw/zinc/92/17/45/534921745.db2.gz XBWYIBRWIYDLGS-QMMMGPOBSA-N -1 3 240.307 0.439 20 0 BCADHM CC(C)CC[C@@](C)(O)CNC(=O)c1c[n-]nn1 ZINC000174485938 534936810 /nfs/dbraw/zinc/93/68/10/534936810.db2.gz VKJFBVHWSDOSNE-LLVKDONJSA-N -1 3 240.307 0.722 20 0 BCADHM CC(C)CC[C@@](C)(O)CNC(=O)c1cnn[n-]1 ZINC000174485938 534936817 /nfs/dbraw/zinc/93/68/17/534936817.db2.gz VKJFBVHWSDOSNE-LLVKDONJSA-N -1 3 240.307 0.722 20 0 BCADHM CC(C)CC[C@@](C)(O)CNC(=O)c1cn[n-]n1 ZINC000174485938 534936821 /nfs/dbraw/zinc/93/68/21/534936821.db2.gz VKJFBVHWSDOSNE-LLVKDONJSA-N -1 3 240.307 0.722 20 0 BCADHM CC1(C[N-]S(=O)(=O)c2c[nH]cn2)CCC1 ZINC000226824957 535156250 /nfs/dbraw/zinc/15/62/50/535156250.db2.gz YTYIZOGKZDCXIJ-UHFFFAOYSA-N -1 3 229.305 0.878 20 0 BCADHM CC[C@@H](C)CN(CC)CC(=O)NCC(=O)[O-] ZINC000262278468 535507961 /nfs/dbraw/zinc/50/79/61/535507961.db2.gz WJDKNMLKKIFCIQ-SECBINFHSA-N -1 3 230.308 0.555 20 0 BCADHM CC[C@H]1CN([C@H](C)C(=O)[O-])CCN1CCOC ZINC000262226853 536160049 /nfs/dbraw/zinc/16/00/49/536160049.db2.gz LJLNXURJPZNKSV-MNOVXSKESA-N -1 3 244.335 0.502 20 0 BCADHM CC[C@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000078688810 536171067 /nfs/dbraw/zinc/17/10/67/536171067.db2.gz NHGQBAWMXPZYFF-LURJTMIESA-N -1 3 203.267 0.487 20 0 BCADHM O=c1cc(N[C@@H]2C=C[C@H](CO)C2)nc[n-]1 ZINC000892786204 582982898 /nfs/dbraw/zinc/98/28/98/582982898.db2.gz OAWUDSWUBWBJKC-JGVFFNPUSA-N -1 3 207.233 0.531 20 0 BCADHM C[C@](NC(=O)[C@@H]1C[C@@H]1N)(C(=O)[O-])c1ccccc1 ZINC000853059567 588718098 /nfs/dbraw/zinc/71/80/98/588718098.db2.gz FISFZUXFLPPQDK-GBIKHYSHSA-N -1 3 248.282 0.450 20 0 BCADHM CC[C@H](C)NC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000111255231 588737916 /nfs/dbraw/zinc/73/79/16/588737916.db2.gz NHTVGEQYMNHNPE-LPEHRKFASA-N -1 3 242.319 0.554 20 0 BCADHM CC(C)CNC(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000111255028 588738019 /nfs/dbraw/zinc/73/80/19/588738019.db2.gz RNUUJYWOPVQKOJ-UWVGGRQHSA-N -1 3 242.319 0.411 20 0 BCADHM CC(C)CNC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000111255026 588738081 /nfs/dbraw/zinc/73/80/81/588738081.db2.gz RNUUJYWOPVQKOJ-ZJUUUORDSA-N -1 3 242.319 0.411 20 0 BCADHM Cc1nonc1CO[N-]C(=O)C(C)(C)C ZINC000853665077 588753969 /nfs/dbraw/zinc/75/39/69/588753969.db2.gz XMOWXCJBAQYPAN-UHFFFAOYSA-N -1 3 213.237 0.972 20 0 BCADHM CCOC([O-])=NOC[C@H](COC)OC ZINC000853725878 588759768 /nfs/dbraw/zinc/75/97/68/588759768.db2.gz GOPIVKPOAOMAIZ-ZETCQYMHSA-N -1 3 207.226 0.326 20 0 BCADHM CCOC(=O)[N-]OC[C@H](COC)OC ZINC000853725878 588759769 /nfs/dbraw/zinc/75/97/69/588759769.db2.gz GOPIVKPOAOMAIZ-ZETCQYMHSA-N -1 3 207.226 0.326 20 0 BCADHM CCOC([O-])=NOC[C@@H](OC)[C@@H]1CCOC1 ZINC000853727349 588759781 /nfs/dbraw/zinc/75/97/81/588759781.db2.gz JAHSWHBJHQYTIL-RKDXNWHRSA-N -1 3 233.264 0.716 20 0 BCADHM CCOC(=O)[N-]OC[C@@H](OC)[C@@H]1CCOC1 ZINC000853727349 588759782 /nfs/dbraw/zinc/75/97/82/588759782.db2.gz JAHSWHBJHQYTIL-RKDXNWHRSA-N -1 3 233.264 0.716 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@H]3COC4(CCC4)C3)c1-2 ZINC000853826692 588765109 /nfs/dbraw/zinc/76/51/09/588765109.db2.gz WJUACCLDYWFCQK-MRVPVSSYSA-N -1 3 245.286 0.850 20 0 BCADHM CC1=NO[C@H](C(=O)[N-]C2=NCCS2)C1 ZINC000854293225 588782295 /nfs/dbraw/zinc/78/22/95/588782295.db2.gz NQELVALBSFJZAK-LURJTMIESA-N -1 3 213.262 0.370 20 0 BCADHM CSC=CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854486472 588789328 /nfs/dbraw/zinc/78/93/28/588789328.db2.gz ZWFKDKPZXQYXRP-XQRVVYSFSA-N -1 3 241.316 0.635 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@@H](O)C2CCC2)CC1 ZINC000854358450 588785129 /nfs/dbraw/zinc/78/51/29/588785129.db2.gz WREAQIRCKKWQKP-NSHDSACASA-N -1 3 242.319 0.289 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CCCCN1 ZINC000854427728 588786431 /nfs/dbraw/zinc/78/64/31/588786431.db2.gz JWQNKEGJSNTLFN-ONEGZZNKSA-N -1 3 233.271 0.927 20 0 BCADHM O=C(C=C1CCC1)NCCCc1cc(=O)[nH][n-]1 ZINC000854486031 588789249 /nfs/dbraw/zinc/78/92/49/588789249.db2.gz KBVPTRPMMNCZLL-UHFFFAOYSA-N -1 3 235.287 0.869 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)CCc1cn(C)nn1 ZINC000854602154 588796908 /nfs/dbraw/zinc/79/69/08/588796908.db2.gz NROLMTFFUVYTLR-SECBINFHSA-N -1 3 240.307 0.842 20 0 BCADHM CCn1ncn([N-]C(=O)[C@@H](C)C(C)(F)F)c1=O ZINC000854628443 588797895 /nfs/dbraw/zinc/79/78/95/588797895.db2.gz YQRMBMQNQXAQBU-ZCFIWIBFSA-N -1 3 248.233 0.426 20 0 BCADHM CCn1ncn([N-]C(=O)CC(C)(F)F)c1=O ZINC000854628547 588797987 /nfs/dbraw/zinc/79/79/87/588797987.db2.gz OHXNJVHAYGBFMV-UHFFFAOYSA-N -1 3 234.206 0.180 20 0 BCADHM Cn1cc(CCC(=O)[N-]OCC2CC2)nn1 ZINC000854640850 588799072 /nfs/dbraw/zinc/79/90/72/588799072.db2.gz WWLOBEPUVMYQPX-UHFFFAOYSA-N -1 3 224.264 0.206 20 0 BCADHM CC(C)O[N-]C(=O)Cc1ccc(=O)[nH]c1 ZINC000854754108 588805780 /nfs/dbraw/zinc/80/57/80/588805780.db2.gz KSOFFOQHOWULKC-UHFFFAOYSA-N -1 3 210.233 0.786 20 0 BCADHM CC(C)O[N-]C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000854754795 588805807 /nfs/dbraw/zinc/80/58/07/588805807.db2.gz UXPCFQLKOYFGJZ-GQCTYLIASA-N -1 3 238.243 0.848 20 0 BCADHM CN(C)CCO[N-]C(=O)C[C@H]1CCCOC1 ZINC000854945340 588818158 /nfs/dbraw/zinc/81/81/58/588818158.db2.gz NIVIVXJJYJPMKS-SNVBAGLBSA-N -1 3 230.308 0.413 20 0 BCADHM CC1=NO[C@@H](C(=O)[N-]C2=NC[C@@H](C)S2)C1 ZINC000854992455 588819984 /nfs/dbraw/zinc/81/99/84/588819984.db2.gz MYGWJHHOGZAPSR-RNFRBKRXSA-N -1 3 227.289 0.759 20 0 BCADHM C/C=C/C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000890530634 582468597 /nfs/dbraw/zinc/46/85/97/582468597.db2.gz QBVRBUSHMMHDHC-HPOULIHZSA-N -1 3 248.286 0.453 20 0 BCADHM CCCO[N-]C(=O)C1(N(C)C)CCC1 ZINC000844085071 582568574 /nfs/dbraw/zinc/56/85/74/582568574.db2.gz AWWQCYGWLIOKIQ-UHFFFAOYSA-N -1 3 200.282 0.929 20 0 BCADHM CCc1cc(C(=O)[N-]c2nc(C)n(C)n2)no1 ZINC000891145591 582615251 /nfs/dbraw/zinc/61/52/51/582615251.db2.gz ZEYNHEMQQCURCD-UHFFFAOYSA-N -1 3 235.247 0.926 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@H](C)[C@@H](C)COC ZINC000891340316 582666789 /nfs/dbraw/zinc/66/67/89/582666789.db2.gz PUDRSOJYDIXUKV-YUMQZZPRSA-N -1 3 241.295 0.550 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H](C)C(C)(F)F ZINC000891340331 582666875 /nfs/dbraw/zinc/66/68/75/582666875.db2.gz PXBQPHBOLIOGRX-YFKPBYRVSA-N -1 3 233.222 0.923 20 0 BCADHM CC[C@@H]1C[C@H]1C(=O)[N-]c1nnnn1CC ZINC000891339948 582666897 /nfs/dbraw/zinc/66/68/97/582666897.db2.gz LSDLUHSZEXORDW-RNFRBKRXSA-N -1 3 209.253 0.678 20 0 BCADHM CCn1nnnc1[N-]C(=O)CCc1ccoc1 ZINC000891338578 582667088 /nfs/dbraw/zinc/66/70/88/582667088.db2.gz BTESFTWVXSFJOW-UHFFFAOYSA-N -1 3 235.247 0.857 20 0 BCADHM CCn1nnnc1[N-]C(=O)CC[C@H]1CCOC1 ZINC000891341126 582667598 /nfs/dbraw/zinc/66/75/98/582667598.db2.gz VKWHSVOOSZTXCG-QMMMGPOBSA-N -1 3 239.279 0.448 20 0 BCADHM O=C(Nc1cn[nH]n1)c1ccccc1[O-] ZINC000145362073 582694219 /nfs/dbraw/zinc/69/42/19/582694219.db2.gz BYFVZUINFHGNFQ-UHFFFAOYSA-N -1 3 204.189 0.763 20 0 BCADHM O=C(Nc1c[nH]nn1)c1ccccc1[O-] ZINC000145362073 582694220 /nfs/dbraw/zinc/69/42/20/582694220.db2.gz BYFVZUINFHGNFQ-UHFFFAOYSA-N -1 3 204.189 0.763 20 0 BCADHM O=C(N[C@@H]1C[C@@H](O)c2ccccc21)c1c[n-]nn1 ZINC000855717781 588845860 /nfs/dbraw/zinc/84/58/60/588845860.db2.gz URTJZNVHLQMNHV-MWLCHTKSSA-N -1 3 244.254 0.713 20 0 BCADHM O=C(N[C@@H]1C[C@@H](O)c2ccccc21)c1cnn[n-]1 ZINC000855717781 588845861 /nfs/dbraw/zinc/84/58/61/588845861.db2.gz URTJZNVHLQMNHV-MWLCHTKSSA-N -1 3 244.254 0.713 20 0 BCADHM O=C(N[C@@H]1C[C@@H](O)c2ccccc21)c1cn[n-]n1 ZINC000855717781 588845862 /nfs/dbraw/zinc/84/58/62/588845862.db2.gz URTJZNVHLQMNHV-MWLCHTKSSA-N -1 3 244.254 0.713 20 0 BCADHM CC[C@@H](O)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000855743334 588846607 /nfs/dbraw/zinc/84/66/07/588846607.db2.gz AMEYPXYFDXJLHB-HMDXOVGESA-N -1 3 236.271 0.688 20 0 BCADHM C[C@@H](Cn1cncn1)Nc1cc(=O)[n-]cn1 ZINC000892127075 582796309 /nfs/dbraw/zinc/79/63/09/582796309.db2.gz LOYPSSUCWIJUHW-ZETCQYMHSA-N -1 3 220.236 0.274 20 0 BCADHM COC(=O)[C@@](C)(CCF)[N-]C(=O)C(F)F ZINC000855906496 588853236 /nfs/dbraw/zinc/85/32/36/588853236.db2.gz BCPQYJXBZDJHFM-MRVPVSSYSA-N -1 3 227.182 0.659 20 0 BCADHM Cc1cc(N2CCC(C(=O)[O-])CC2)nc(N)n1 ZINC000146581547 582830279 /nfs/dbraw/zinc/83/02/79/582830279.db2.gz KWGFXCLDFMWGIK-UHFFFAOYSA-N -1 3 236.275 0.668 20 0 BCADHM COc1cccc(C(=O)N2CC[C@@H]2CO)c1[O-] ZINC000889132173 582830989 /nfs/dbraw/zinc/83/09/89/582830989.db2.gz CRBHYJDFIHPDCG-MRVPVSSYSA-N -1 3 237.255 0.608 20 0 BCADHM C[C@@H](C(=O)[O-])N(C(=O)[C@@]1(F)CCNC1)C1CC1 ZINC000849365755 582849859 /nfs/dbraw/zinc/84/98/59/582849859.db2.gz BLUJCTOANSMWEE-WRWORJQWSA-N -1 3 244.266 0.152 20 0 BCADHM CN(CC(=O)[O-])Cc1cnc2ccccn12 ZINC000737988273 582853598 /nfs/dbraw/zinc/85/35/98/582853598.db2.gz CNOJIMYIRZNXNS-UHFFFAOYSA-N -1 3 219.244 0.851 20 0 BCADHM CC(=O)[C@H](C)CCOC(=O)c1cnn[n-]1 ZINC000849776778 582864350 /nfs/dbraw/zinc/86/43/50/582864350.db2.gz QKMXZFQOSDXJFC-ZCFIWIBFSA-N -1 3 211.221 0.577 20 0 BCADHM CC(=O)[C@H](C)CCOC(=O)c1c[n-]nn1 ZINC000849776778 582864352 /nfs/dbraw/zinc/86/43/52/582864352.db2.gz QKMXZFQOSDXJFC-ZCFIWIBFSA-N -1 3 211.221 0.577 20 0 BCADHM CCC1(C(=O)[N-]OCCN2CCCC2=O)CC1 ZINC000856041195 588858255 /nfs/dbraw/zinc/85/82/55/588858255.db2.gz VIKURIPXHXCEDV-UHFFFAOYSA-N -1 3 240.303 0.847 20 0 BCADHM CN(CCn1cccn1)c1cc(=O)[n-]cn1 ZINC000892463009 582892788 /nfs/dbraw/zinc/89/27/88/582892788.db2.gz ZWKGXDPNBADJJP-UHFFFAOYSA-N -1 3 219.248 0.515 20 0 BCADHM O=c1cc(N[C@H](CCO)C2CC2)nc[n-]1 ZINC000892657798 582941468 /nfs/dbraw/zinc/94/14/68/582941468.db2.gz QFCUFAKCNCMJJF-MRVPVSSYSA-N -1 3 209.249 0.755 20 0 BCADHM CC(=O)OC1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000892958441 583021395 /nfs/dbraw/zinc/02/13/95/583021395.db2.gz ACKYOJMKFQRYKC-UHFFFAOYSA-N -1 3 237.259 0.714 20 0 BCADHM CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(=O)[n-]cn1 ZINC000893053997 583038663 /nfs/dbraw/zinc/03/86/63/583038663.db2.gz TVYWDTXPNSQXBT-SFYZADRCSA-N -1 3 236.275 0.509 20 0 BCADHM COC1(C)CN(c2cc(=O)[n-]c(C)n2)C1 ZINC000893060623 583039159 /nfs/dbraw/zinc/03/91/59/583039159.db2.gz VVIJIFVODBDXHL-UHFFFAOYSA-N -1 3 209.249 0.716 20 0 BCADHM C[C@H]1CN(c2cc(=O)[n-]cn2)[C@@H](C)CN1C ZINC000893080856 583044524 /nfs/dbraw/zinc/04/45/24/583044524.db2.gz STUWTKYIXXNRNK-IUCAKERBSA-N -1 3 222.292 0.711 20 0 BCADHM CCO[C@@H]1COCC[C@H]1Nc1cc(=O)[n-]cn1 ZINC000893169076 583063091 /nfs/dbraw/zinc/06/30/91/583063091.db2.gz WVJIMZVTXVCVRG-RKDXNWHRSA-N -1 3 239.275 0.788 20 0 BCADHM C/C=C/C[C@H](CO)Nc1cc(=O)[n-]cn1 ZINC000893228738 583074911 /nfs/dbraw/zinc/07/49/11/583074911.db2.gz DUFOFZHUPSYOIY-UFUPEUMYSA-N -1 3 209.249 0.921 20 0 BCADHM Cn1cc(CCC(=O)[N-]OCC2CCC2)nn1 ZINC000856342127 588868146 /nfs/dbraw/zinc/86/81/46/588868146.db2.gz NFRUWTSQCDTSON-UHFFFAOYSA-N -1 3 238.291 0.596 20 0 BCADHM NC(=O)CCCCC(=O)[N-]OCC1CCC1 ZINC000856349726 588869744 /nfs/dbraw/zinc/86/97/44/588869744.db2.gz CBRSJNUDZWYURT-UHFFFAOYSA-N -1 3 228.292 0.880 20 0 BCADHM Cc1nc(N2CC(=O)N(C)C[C@@H]2C)cc(=O)[n-]1 ZINC000893378746 583132837 /nfs/dbraw/zinc/13/28/37/583132837.db2.gz DPGPHFXQBALOFF-ZETCQYMHSA-N -1 3 236.275 0.158 20 0 BCADHM CC(C)O[N-]C(=O)CCc1cncn1C ZINC000857522003 583144175 /nfs/dbraw/zinc/14/41/75/583144175.db2.gz AAJRWYIAVZPSME-UHFFFAOYSA-N -1 3 211.265 0.809 20 0 BCADHM O=c1cc(N2CC[C@H](n3cccn3)C2)nc[n-]1 ZINC000893932079 583251663 /nfs/dbraw/zinc/25/16/63/583251663.db2.gz MOLQGARGOIIDSY-VIFPVBQESA-N -1 3 231.259 0.830 20 0 BCADHM Cc1nc(N2C[C@H]3[C@H](CO)[C@H]3C2)cc(=O)[n-]1 ZINC000893948876 583259600 /nfs/dbraw/zinc/25/96/00/583259600.db2.gz HOTSXZLKBCJHNI-BRPSZJMVSA-N -1 3 221.260 0.165 20 0 BCADHM Cc1nc(N2CC[C@@](O)(C(F)F)C2)cc(=O)[n-]1 ZINC000894047866 583287711 /nfs/dbraw/zinc/28/77/11/583287711.db2.gz DQVPSUBKYGRHNH-JTQLQIEISA-N -1 3 245.229 0.697 20 0 BCADHM Cc1nc(N2CC(C)(CO)C2)cc(=O)[n-]1 ZINC000894079490 583297484 /nfs/dbraw/zinc/29/74/84/583297484.db2.gz QIJMZANCGWCXHP-UHFFFAOYSA-N -1 3 209.249 0.309 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCCO1 ZINC000857175727 588891696 /nfs/dbraw/zinc/89/16/96/588891696.db2.gz BVAPVYHLYKGKHL-UHFFFAOYSA-N -1 3 212.180 0.704 20 0 BCADHM CC1(C(=O)[N-]OC[C@H]2CCOC2)CCOCC1 ZINC000788274764 583307502 /nfs/dbraw/zinc/30/75/02/583307502.db2.gz SIILVHIJUWPVNW-JTQLQIEISA-N -1 3 243.303 0.887 20 0 BCADHM C[C@]1(CNc2cc(=O)[n-]cn2)CCC(=O)N1 ZINC000894141546 583317101 /nfs/dbraw/zinc/31/71/01/583317101.db2.gz XUMMTXRCVFPVHO-SNVBAGLBSA-N -1 3 222.248 0.263 20 0 BCADHM CCC[C@H](O)[C@H](CO)Nc1cc(=O)[n-]c(C)n1 ZINC000894191013 583334731 /nfs/dbraw/zinc/33/47/31/583334731.db2.gz VATNQWYHIBZXIH-IUCAKERBSA-N -1 3 241.291 0.424 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CCCF ZINC000857260547 588901629 /nfs/dbraw/zinc/90/16/29/588901629.db2.gz XKWDRWGGKRDXSG-UHFFFAOYSA-N -1 3 221.228 0.737 20 0 BCADHM CC(C)(CO)O[N-]C(=O)/C=C\c1ccc[nH]1 ZINC000857285072 588903357 /nfs/dbraw/zinc/90/33/57/588903357.db2.gz XUXITWIDOVPWJB-WAYWQWQTSA-N -1 3 224.260 0.847 20 0 BCADHM COC(=O)CCCCC(=O)[N-]OC(C)(C)CO ZINC000857284241 588902791 /nfs/dbraw/zinc/90/27/91/588902791.db2.gz CLNRKFWAEIKFHF-UHFFFAOYSA-N -1 3 247.291 0.539 20 0 BCADHM CO[C@H](C)CCC(=O)[N-]OC(C)(C)CO ZINC000857284580 588902954 /nfs/dbraw/zinc/90/29/54/588902954.db2.gz MZTXMUITZADNGX-MRVPVSSYSA-N -1 3 219.281 0.620 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CC[C@H]1CCOC1 ZINC000857285510 588903361 /nfs/dbraw/zinc/90/33/61/588903361.db2.gz DUXPBRVSOUUJGT-WDEREUQCSA-N -1 3 245.319 0.868 20 0 BCADHM CC(C)(CO)ONC(=O)c1c([O-])cccc1O ZINC000857284392 588903023 /nfs/dbraw/zinc/90/30/23/588903023.db2.gz JMOLPCFIGYSYFF-UHFFFAOYSA-N -1 3 241.243 0.530 20 0 BCADHM Cn1ccc(CCC(=O)[N-]OC(C)(C)CO)n1 ZINC000857283990 588903026 /nfs/dbraw/zinc/90/30/26/588903026.db2.gz RJRZYVXAUNPWTJ-UHFFFAOYSA-N -1 3 241.291 0.171 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C1(C)CCOCC1 ZINC000857284873 588903690 /nfs/dbraw/zinc/90/36/90/588903690.db2.gz JGZYIZQMKAABTK-UHFFFAOYSA-N -1 3 231.292 0.622 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CC1CCOCC1 ZINC000857286300 588904133 /nfs/dbraw/zinc/90/41/33/588904133.db2.gz XNSBBWFXSLMFOX-LLVKDONJSA-N -1 3 245.319 0.868 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C[C@H]1CCOC1 ZINC000857286399 588904206 /nfs/dbraw/zinc/90/42/06/588904206.db2.gz ZVLFHLZGQANNRM-ZJUUUORDSA-N -1 3 231.292 0.478 20 0 BCADHM CO[C@H](CNc1cc(=O)[n-]cn1)[C@H]1CCOC1 ZINC000894482655 583468947 /nfs/dbraw/zinc/46/89/47/583468947.db2.gz DNPCTGPCMAWITR-DTWKUNHWSA-N -1 3 239.275 0.646 20 0 BCADHM CN(C[C@H]1COCCO1)c1cc(=O)[n-]cn1 ZINC000894546157 583481123 /nfs/dbraw/zinc/48/11/23/583481123.db2.gz UYIKLXFSRIBGBJ-QMMMGPOBSA-N -1 3 225.248 0.034 20 0 BCADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCO ZINC000011953817 588907763 /nfs/dbraw/zinc/90/77/63/588907763.db2.gz SRYAOLSBMRHPPW-ZETCQYMHSA-N -1 3 213.233 0.963 20 0 BCADHM C[C@@H]1CN(Cc2ccc([O-])c(F)c2)CC(=O)N1 ZINC000894731020 583513716 /nfs/dbraw/zinc/51/37/16/583513716.db2.gz YTQGSFRSYQDLDY-MRVPVSSYSA-N -1 3 238.262 0.852 20 0 BCADHM COC(=O)C1=CC[C@H](Nc2cc(=O)[n-]cn2)C1 ZINC000894726171 583515579 /nfs/dbraw/zinc/51/55/79/583515579.db2.gz SGJMRODMCGVNHX-QMMMGPOBSA-N -1 3 235.243 0.856 20 0 BCADHM O=c1cc(N2C[C@@H]3CCC[C@]3(CO)C2)nc[n-]1 ZINC000894775791 583518626 /nfs/dbraw/zinc/51/86/26/583518626.db2.gz COILKMRLNNJWPE-JOYOIKCWSA-N -1 3 235.287 0.781 20 0 BCADHM Cc1nc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc(=O)[n-]1 ZINC000894821664 583525571 /nfs/dbraw/zinc/52/55/71/583525571.db2.gz HYWSNXLSNYILGA-YGOYTEALSA-N -1 3 235.287 0.840 20 0 BCADHM Fc1cc(N2CCC(c3nnn[n-]3)CC2)ncn1 ZINC000895006871 583566063 /nfs/dbraw/zinc/56/60/63/583566063.db2.gz VEMDSDRIRMIXPI-UHFFFAOYSA-N -1 3 249.253 0.513 20 0 BCADHM Fc1cc(N2CCC(c3nn[n-]n3)CC2)ncn1 ZINC000895006871 583566064 /nfs/dbraw/zinc/56/60/64/583566064.db2.gz VEMDSDRIRMIXPI-UHFFFAOYSA-N -1 3 249.253 0.513 20 0 BCADHM CC1(C)C[C@@H](O)CN(c2cc(=O)[n-]cn2)C1 ZINC000895031683 583571316 /nfs/dbraw/zinc/57/13/16/583571316.db2.gz MTLXDOVKUKOPHG-MRVPVSSYSA-N -1 3 223.276 0.779 20 0 BCADHM O=C(Cn1c([O-])coc1=O)c1nccs1 ZINC000882276495 583603265 /nfs/dbraw/zinc/60/32/65/583603265.db2.gz PZTUGEPXQHIQPP-UHFFFAOYSA-N -1 3 226.213 0.305 20 0 BCADHM CO[C@@H]1COCC[C@H]1N(C)c1cc(=O)[n-]cn1 ZINC000895157114 583608095 /nfs/dbraw/zinc/60/80/95/583608095.db2.gz OGKFORDBZFDIRK-RKDXNWHRSA-N -1 3 239.275 0.422 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H]2C(=O)NCC2(C)C)n1 ZINC000895315609 583648260 /nfs/dbraw/zinc/64/82/60/583648260.db2.gz HTLRJMRCLVAETI-LLVKDONJSA-N -1 3 249.314 0.710 20 0 BCADHM CO[C@H](C)CC(=O)Nc1nnc(SC)[n-]1 ZINC000727486102 583661126 /nfs/dbraw/zinc/66/11/26/583661126.db2.gz CABBQZPXPVFYEO-RXMQYKEDSA-N -1 3 230.293 0.890 20 0 BCADHM CO[C@H](C)CC(=O)Nc1nc(SC)n[n-]1 ZINC000727486102 583661128 /nfs/dbraw/zinc/66/11/28/583661128.db2.gz CABBQZPXPVFYEO-RXMQYKEDSA-N -1 3 230.293 0.890 20 0 BCADHM CO[C@H](C)CC(=O)Nc1n[n-]c(SC)n1 ZINC000727486102 583661130 /nfs/dbraw/zinc/66/11/30/583661130.db2.gz CABBQZPXPVFYEO-RXMQYKEDSA-N -1 3 230.293 0.890 20 0 BCADHM CO[N-]C(=O)c1cn(C)nc1Br ZINC000895623204 583697767 /nfs/dbraw/zinc/69/77/67/583697767.db2.gz PNCVKKLUCVLVLS-UHFFFAOYSA-N -1 3 234.053 0.474 20 0 BCADHM CCc1noc([C@H](C)[N-]S(=O)(=O)CC)n1 ZINC000895966293 583754312 /nfs/dbraw/zinc/75/43/12/583754312.db2.gz NBMLPKFNGYQKGQ-LURJTMIESA-N -1 3 233.293 0.632 20 0 BCADHM CCc1noc([C@@H](C)[N-]S(=O)(=O)CC)n1 ZINC000895966294 583754641 /nfs/dbraw/zinc/75/46/41/583754641.db2.gz NBMLPKFNGYQKGQ-ZCFIWIBFSA-N -1 3 233.293 0.632 20 0 BCADHM Cn1nnc2c1C[C@@H](Nc1cc(=O)[n-]cn1)CC2 ZINC000896675367 583822480 /nfs/dbraw/zinc/82/24/80/583822480.db2.gz XFRIONWFFGGXMZ-ZETCQYMHSA-N -1 3 246.274 0.280 20 0 BCADHM C[C@H]1C[C@H]1C(=O)N[N-]C(=O)c1ccoc1 ZINC000142995905 583839904 /nfs/dbraw/zinc/83/99/04/583839904.db2.gz PMCVNSLFEHGHJH-POYBYMJQSA-N -1 3 208.217 0.697 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCOC1=O ZINC000869098744 583855861 /nfs/dbraw/zinc/85/58/61/583855861.db2.gz KNBDLRJEXXAISL-QMMMGPOBSA-N -1 3 235.239 0.746 20 0 BCADHM CO[N-]C(=O)CN[C@H](C)[C@@H]1CC1(F)F ZINC000896924440 583857693 /nfs/dbraw/zinc/85/76/93/583857693.db2.gz MOIKHACKRZRFRE-RITPCOANSA-N -1 3 208.208 0.297 20 0 BCADHM CCCSC[C@@H](C)NCC(=O)[N-]OC ZINC000896923714 583858499 /nfs/dbraw/zinc/85/84/99/583858499.db2.gz GZRRENKUEBRNKR-MRVPVSSYSA-N -1 3 220.338 0.785 20 0 BCADHM Cc1nnc(CNc2cc(Cl)nc(=O)[n-]2)[nH]1 ZINC000897209869 583895490 /nfs/dbraw/zinc/89/54/90/583895490.db2.gz VYQNFCUWVWXBMV-UHFFFAOYSA-N -1 3 240.654 0.874 20 0 BCADHM CC[C@H](O)CN1CCC(N(C)C(=O)[O-])CC1 ZINC000737785395 583901406 /nfs/dbraw/zinc/90/14/06/583901406.db2.gz IDLNRZQXKWBYKI-JTQLQIEISA-N -1 3 230.308 0.832 20 0 BCADHM CCn1cc(CNCc2cncc([O-])c2)nn1 ZINC000897305337 583913605 /nfs/dbraw/zinc/91/36/05/583913605.db2.gz SPHOWUJLHGFLKR-UHFFFAOYSA-N -1 3 233.275 0.688 20 0 BCADHM CC[C@H](O)CN1CCC[C@H](NC(=O)[O-])C1 ZINC000737787120 583920205 /nfs/dbraw/zinc/92/02/05/583920205.db2.gz RCLDELZORMJFLM-IUCAKERBSA-N -1 3 216.281 0.489 20 0 BCADHM CO[N-]C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000858300593 588943396 /nfs/dbraw/zinc/94/33/96/588943396.db2.gz QAPRKJXCVLTKHT-LLVKDONJSA-N -1 3 248.282 0.826 20 0 BCADHM CO[N-]C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC000858301046 588943550 /nfs/dbraw/zinc/94/35/50/588943550.db2.gz XIMHEZWBOVEKIB-MRVPVSSYSA-N -1 3 209.249 0.432 20 0 BCADHM O=C(O[C@@H]1CCC(=O)NC1=O)c1ccc([O-])cc1 ZINC000798567796 583944673 /nfs/dbraw/zinc/94/46/73/583944673.db2.gz DKBJRRMONIVGGM-SECBINFHSA-N -1 3 249.222 0.354 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1CCN1C(C)(C)C ZINC000897427220 583969049 /nfs/dbraw/zinc/96/90/49/583969049.db2.gz WGVQNXQUMXCQNN-SNVBAGLBSA-N -1 3 244.335 0.944 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@H]3COC[C@@H]3C3CC3)c1-2 ZINC000897445757 583984941 /nfs/dbraw/zinc/98/49/41/583984941.db2.gz NEXQCPQPBPBMOA-ZJUUUORDSA-N -1 3 245.286 0.563 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@]1(C)CCNC1=O ZINC000889024928 583991896 /nfs/dbraw/zinc/99/18/96/583991896.db2.gz MIDHTVFWSIRAPY-MRVPVSSYSA-N -1 3 220.219 0.427 20 0 BCADHM CC(C)(C)C(=O)[N-]OCC(=O)NC1CC1 ZINC000729264618 583988021 /nfs/dbraw/zinc/98/80/21/583988021.db2.gz UNIINMAXUKKAQK-UHFFFAOYSA-N -1 3 214.265 0.359 20 0 BCADHM CO[N-]C(=O)CCCCCCC(=O)NOC ZINC000729833727 584026884 /nfs/dbraw/zinc/02/68/84/584026884.db2.gz FEPMZJXDRWJXIU-UHFFFAOYSA-N -1 3 232.280 0.682 20 0 BCADHM C[C@@H]1CO[C@@H](C(=O)[N-]OC2CCN(C)CC2)C1 ZINC000897675253 584035356 /nfs/dbraw/zinc/03/53/56/584035356.db2.gz WIQUAHANOWLLCW-GXSJLCMTSA-N -1 3 242.319 0.553 20 0 BCADHM CC(C)[C@H]1CN(CCC(=O)[O-])CCO1 ZINC000200165790 588951792 /nfs/dbraw/zinc/95/17/92/588951792.db2.gz ORBSPDHCIMBVBI-SECBINFHSA-N -1 3 201.266 0.818 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]OC/C=C\Cl ZINC000897805578 584049971 /nfs/dbraw/zinc/04/99/71/584049971.db2.gz JEEYUWHZCCRXPZ-NHLYECAPSA-N -1 3 218.684 0.881 20 0 BCADHM C[C@@H]1CO[C@@H](C(=O)[N-]OCCN(C)C)C1 ZINC000897875719 584056485 /nfs/dbraw/zinc/05/64/85/584056485.db2.gz IPCUVKCDUMUJQJ-DTWKUNHWSA-N -1 3 216.281 0.021 20 0 BCADHM C[C@@H]1CO[C@H](C(=O)[N-]OCCN(C)C)C1 ZINC000897875720 584056797 /nfs/dbraw/zinc/05/67/97/584056797.db2.gz IPCUVKCDUMUJQJ-IUCAKERBSA-N -1 3 216.281 0.021 20 0 BCADHM CN(C)CCO[N-]C(=O)C1(C2CC2)CC1 ZINC000897877321 584057168 /nfs/dbraw/zinc/05/71/68/584057168.db2.gz QJJZXCSXYOWRJQ-UHFFFAOYSA-N -1 3 212.293 0.786 20 0 BCADHM CC(C)(C)N1CC[C@H]1C(=O)[N-]OC(C)(C)CO ZINC000897951667 584063296 /nfs/dbraw/zinc/06/32/96/584063296.db2.gz UEWBFYXVNUDAEI-VIFPVBQESA-N -1 3 244.335 0.678 20 0 BCADHM COCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205963 584091455 /nfs/dbraw/zinc/09/14/55/584091455.db2.gz SZOVWZTWDJPWEQ-ZETCQYMHSA-N -1 3 225.248 0.078 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)nn1 ZINC000866496560 584119927 /nfs/dbraw/zinc/11/99/27/584119927.db2.gz REBPQLXTIZESSF-CBAPKCEASA-N -1 3 241.316 0.719 20 0 BCADHM CC1(C(=O)NCCCc2c[n-][nH]c2=O)CCC1 ZINC000898734584 584155064 /nfs/dbraw/zinc/15/50/64/584155064.db2.gz ZFQADAKWHJVXMA-SECBINFHSA-N -1 3 237.303 0.805 20 0 BCADHM C[C@@H](C(=O)NCCCc1c[n-][nH]c1=O)C1CC1 ZINC000898731731 584155886 /nfs/dbraw/zinc/15/58/86/584155886.db2.gz GIXMNLSROWHEQL-PSASIEDQSA-N -1 3 237.303 0.661 20 0 BCADHM Cc1ccoc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898729515 584155992 /nfs/dbraw/zinc/15/59/92/584155992.db2.gz SKYHJXOUAVUSFN-VIFPVBQESA-N -1 3 249.270 0.830 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)C1(C2CC2)CC1 ZINC000898746137 584156346 /nfs/dbraw/zinc/15/63/46/584156346.db2.gz YCQUYIBTAKXNQO-VIFPVBQESA-N -1 3 249.314 0.805 20 0 BCADHM CC(C)(F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898736380 584156449 /nfs/dbraw/zinc/15/64/49/584156449.db2.gz COBMKPWZOSILMH-ZETCQYMHSA-N -1 3 229.255 0.363 20 0 BCADHM CC/C=C(\C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739507 584157136 /nfs/dbraw/zinc/15/71/36/584157136.db2.gz JYSGUVXNIDIEJK-CYNRKNSPSA-N -1 3 237.303 0.971 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739819 584157387 /nfs/dbraw/zinc/15/73/87/584157387.db2.gz NBWGNZZKJRXEFG-CIUDSAMLSA-N -1 3 223.276 0.271 20 0 BCADHM O=C([N-]OCCO)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000898939210 584167455 /nfs/dbraw/zinc/16/74/55/584167455.db2.gz LIPJYCBUTWKYPC-WDEREUQCSA-N -1 3 237.255 0.536 20 0 BCADHM CC(C)[C@@H](F)C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O ZINC000899036925 584172462 /nfs/dbraw/zinc/17/24/62/584172462.db2.gz YLCMQQRGKBYHDH-RNFRBKRXSA-N -1 3 245.254 0.294 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000899383869 584208716 /nfs/dbraw/zinc/20/87/16/584208716.db2.gz RGPQSVQXCQLOAC-KHQFGBGNSA-N -1 3 249.270 0.025 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CCOC2CC2)n1 ZINC000899480774 584218087 /nfs/dbraw/zinc/21/80/87/584218087.db2.gz MDOOHJPKJHKNMA-UHFFFAOYSA-N -1 3 245.304 0.320 20 0 BCADHM CCc1nnc(S(=O)(=O)CCOC2CC2)[n-]1 ZINC000899480774 584218088 /nfs/dbraw/zinc/21/80/88/584218088.db2.gz MDOOHJPKJHKNMA-UHFFFAOYSA-N -1 3 245.304 0.320 20 0 BCADHM C[C@H](NC(=O)[C@@H](N)C1CCCCCC1)C(=O)[O-] ZINC000900455122 584313210 /nfs/dbraw/zinc/31/32/10/584313210.db2.gz YFLIZNHVGYUQKN-WPRPVWTQSA-N -1 3 242.319 0.873 20 0 BCADHM COCc1cn([C@H](C)c2nc(C)cc(=O)[n-]2)nn1 ZINC000900567584 584326019 /nfs/dbraw/zinc/32/60/19/584326019.db2.gz DDUXJKASNJJXDC-MRVPVSSYSA-N -1 3 249.274 0.838 20 0 BCADHM Cn1cc(C(=O)[N-]c2noc3c2CCCC3)nn1 ZINC000900786242 584351692 /nfs/dbraw/zinc/35/16/92/584351692.db2.gz ADJTWCBYTUQOSW-UHFFFAOYSA-N -1 3 247.258 0.934 20 0 BCADHM C/C(=C/C(=O)[N-]S(=O)(=O)CCN)C(C)(C)C ZINC000901100154 584380897 /nfs/dbraw/zinc/38/08/97/584380897.db2.gz FOIBAFFBZIBJEW-FPLPWBNLSA-N -1 3 248.348 0.384 20 0 BCADHM C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)CCN)C1 ZINC000901100364 584381844 /nfs/dbraw/zinc/38/18/44/584381844.db2.gz WNLMVLJXYKAAEN-DTWKUNHWSA-N -1 3 248.348 0.217 20 0 BCADHM Cc1cccc(C(=O)[N-]S(=O)(=O)CCN)c1 ZINC000901093097 584383935 /nfs/dbraw/zinc/38/39/35/584383935.db2.gz BQJDACKOJCRHAE-UHFFFAOYSA-N -1 3 242.300 0.013 20 0 BCADHM CC1(C)C(C(=O)[N-]S(=O)(=O)CCN)C1(C)C ZINC000901096666 584384617 /nfs/dbraw/zinc/38/46/17/584384617.db2.gz TYVCYCDCNNVGSD-UHFFFAOYSA-N -1 3 248.348 0.073 20 0 BCADHM C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)CCN)C1 ZINC000901100670 584385120 /nfs/dbraw/zinc/38/51/20/584385120.db2.gz YQVMWYYVXBBLAH-KGOFQHAKSA-N -1 3 246.332 0.138 20 0 BCADHM CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)CCN ZINC000901101305 584387901 /nfs/dbraw/zinc/38/79/01/584387901.db2.gz LEEATUXKEWPRTB-SFYZADRCSA-N -1 3 236.337 0.073 20 0 BCADHM COc1nnc(NC(=O)C=C(C)Cl)[n-]1 ZINC000901286384 584422160 /nfs/dbraw/zinc/42/21/60/584422160.db2.gz IXCPZUYNBCXMRV-ARJAWSKDSA-N -1 3 216.628 0.894 20 0 BCADHM COc1nc(NC(=O)C=C(C)Cl)n[n-]1 ZINC000901286384 584422162 /nfs/dbraw/zinc/42/21/62/584422162.db2.gz IXCPZUYNBCXMRV-ARJAWSKDSA-N -1 3 216.628 0.894 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C(/C)Cl)n1 ZINC000901286384 584422164 /nfs/dbraw/zinc/42/21/64/584422164.db2.gz IXCPZUYNBCXMRV-ARJAWSKDSA-N -1 3 216.628 0.894 20 0 BCADHM CC[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)C)N(C)C ZINC000901429238 584444162 /nfs/dbraw/zinc/44/41/62/584444162.db2.gz TXIBCMPKNADOHS-IUCAKERBSA-N -1 3 230.308 0.552 20 0 BCADHM CC[C@H](C(=O)NC1(C(=O)[O-])CCCC1)N(C)C ZINC000901430632 584444953 /nfs/dbraw/zinc/44/49/53/584444953.db2.gz FUMSAASOIYCEIN-SECBINFHSA-N -1 3 242.319 0.840 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@@H](CC)N(C)C ZINC000901488568 584452460 /nfs/dbraw/zinc/45/24/60/584452460.db2.gz GACWTWJSKYKIEX-SECBINFHSA-N -1 3 230.308 0.650 20 0 BCADHM CN(C)c1ncc(CNC(C)(C)C(=O)[O-])cn1 ZINC000901490864 584452922 /nfs/dbraw/zinc/45/29/22/584452922.db2.gz ZAVMDGJSBHBQLA-UHFFFAOYSA-N -1 3 238.291 0.495 20 0 BCADHM CCO[C@@H](C)Sc1n[n-]c(CO)n1 ZINC000901537873 584460778 /nfs/dbraw/zinc/46/07/78/584460778.db2.gz RHPNBPLQNBDHOA-RXMQYKEDSA-N -1 3 203.267 0.772 20 0 BCADHM Cc1cn(C)nc1Cn1c([O-])coc1=O ZINC000901585458 584467774 /nfs/dbraw/zinc/46/77/74/584467774.db2.gz BZXIOHFFDHFUNZ-UHFFFAOYSA-N -1 3 209.205 0.207 20 0 BCADHM CCn1nncc1CN[C@](C)(CCF)C(=O)[O-] ZINC000901916592 584503646 /nfs/dbraw/zinc/50/36/46/584503646.db2.gz VJPFAZMQIRWHFG-SNVBAGLBSA-N -1 3 244.270 0.591 20 0 BCADHM COCC(C)(C)CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000901910884 584505013 /nfs/dbraw/zinc/50/50/13/584505013.db2.gz RLWSHTFVMQPEHO-NXEZZACHSA-N -1 3 245.319 0.833 20 0 BCADHM C[C@@H]1CN(CC2(C)CC2)C[C@@H](C(=O)[O-])O1 ZINC000901933300 584505796 /nfs/dbraw/zinc/50/57/96/584505796.db2.gz YHKAEXRJSDLAFO-BDAKNGLRSA-N -1 3 213.277 0.960 20 0 BCADHM CS(=O)(=O)[N-]c1cnn(C2CCC2)c1 ZINC000901982093 584511792 /nfs/dbraw/zinc/51/17/92/584511792.db2.gz SRBUISGDQZKOGB-UHFFFAOYSA-N -1 3 215.278 0.980 20 0 BCADHM CC(C)(C)CC(=O)[N-]OC[C@H]1CNC(=O)C1 ZINC000902418528 584591748 /nfs/dbraw/zinc/59/17/48/584591748.db2.gz IJPSWJDKKCLVFQ-MRVPVSSYSA-N -1 3 228.292 0.607 20 0 BCADHM CC(C)[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)N(C)C ZINC000902449566 584606149 /nfs/dbraw/zinc/60/61/49/584606149.db2.gz BVHHDDTUHHZLRA-KXUCPTDWSA-N -1 3 242.319 0.552 20 0 BCADHM C[C@@H](O)[C@@H](CO)NCc1cc([O-])cc(Cl)c1 ZINC000902596844 584636278 /nfs/dbraw/zinc/63/62/78/584636278.db2.gz QHXPPFMVAVGMRM-RDDDGLTNSA-N -1 3 245.706 0.877 20 0 BCADHM C[C@@H](O)[C@H](O)CNCc1cc([O-])cc(Cl)c1 ZINC000902632513 584647412 /nfs/dbraw/zinc/64/74/12/584647412.db2.gz NXQSWMHGZYJMNU-RDDDGLTNSA-N -1 3 245.706 0.877 20 0 BCADHM NS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@@H]1F ZINC000902902399 584694074 /nfs/dbraw/zinc/69/40/74/584694074.db2.gz BPCQLSIZEVOMRP-CBAPKCEASA-N -1 3 246.263 0.251 20 0 BCADHM COc1ccccc1CO[N-]C(=O)CCO ZINC000902930643 584698906 /nfs/dbraw/zinc/69/89/06/584698906.db2.gz DJSPZEPFKACXFG-UHFFFAOYSA-N -1 3 225.244 0.625 20 0 BCADHM NC(=O)[N-]C(=O)OCCCN1CCC[C@@H](F)C1 ZINC000902995927 584713987 /nfs/dbraw/zinc/71/39/87/584713987.db2.gz PHGPCDMBEPNDPU-MRVPVSSYSA-N -1 3 247.270 0.615 20 0 BCADHM NOCCC[N-]S(=O)(=O)c1ccccc1F ZINC000903527463 584781425 /nfs/dbraw/zinc/78/14/25/584781425.db2.gz XGHAOTYJUMRDPN-UHFFFAOYSA-N -1 3 248.279 0.384 20 0 BCADHM O=C([O-])[C@@H]1C[C@H](F)CN1CCN1CCCCC1 ZINC000903617653 584787228 /nfs/dbraw/zinc/78/72/28/584787228.db2.gz QIXKCOBZSRCXDU-QWRGUYRKSA-N -1 3 244.310 0.969 20 0 BCADHM Cc1cn(C)nc1CN1CC2CC1(C(=O)[O-])C2 ZINC000903907301 584821107 /nfs/dbraw/zinc/82/11/07/584821107.db2.gz UNXIOYBWKJFRQH-UHFFFAOYSA-N -1 3 235.287 0.778 20 0 BCADHM C[S@@](=O)CCN1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936417 584825995 /nfs/dbraw/zinc/82/59/95/584825995.db2.gz JRUYDCNFZYJALO-UYNUJQBQSA-N -1 3 231.317 0.304 20 0 BCADHM O=C([O-])C1(NCc2cncs2)CCOCC1 ZINC000904010217 584837438 /nfs/dbraw/zinc/83/74/38/584837438.db2.gz SLCWVHZPSXLOSA-UHFFFAOYSA-N -1 3 242.300 0.867 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCCc1cccnc1 ZINC000904190286 584848755 /nfs/dbraw/zinc/84/87/55/584848755.db2.gz FFVXOPBHVMGSCC-UHFFFAOYSA-N -1 3 246.274 0.567 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC000904190888 584848763 /nfs/dbraw/zinc/84/87/63/584848763.db2.gz LYDUEWXMDFDPEB-RNFRBKRXSA-N -1 3 239.279 0.352 20 0 BCADHM C[C@H]1CC[C@H](C(=O)[N-]c2nnnn2C)CC1 ZINC000904190576 584848797 /nfs/dbraw/zinc/84/87/97/584848797.db2.gz CADMJIIVTSKMMR-ZKCHVHJHSA-N -1 3 223.280 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CCCC12CC2 ZINC000904189920 584848874 /nfs/dbraw/zinc/84/88/74/584848874.db2.gz AZLGYAGYPSGCDD-SSDOTTSWSA-N -1 3 221.264 0.729 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@]1(C)C=CCC1 ZINC000904189548 584848908 /nfs/dbraw/zinc/84/89/08/584848908.db2.gz RGAGJKFTAXETQQ-VIFPVBQESA-N -1 3 207.237 0.505 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CCC1(C)C ZINC000904190732 584848915 /nfs/dbraw/zinc/84/89/15/584848915.db2.gz JZXRDSVCJRLMAC-ZCFIWIBFSA-N -1 3 209.253 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCCC12CC2 ZINC000904189921 584848993 /nfs/dbraw/zinc/84/89/93/584848993.db2.gz AZLGYAGYPSGCDD-ZETCQYMHSA-N -1 3 221.264 0.729 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@]12C[C@H]1CCC2 ZINC000904189603 584849012 /nfs/dbraw/zinc/84/90/12/584849012.db2.gz TVBGDIPMGMNAKM-HZGVNTEJSA-N -1 3 207.237 0.339 20 0 BCADHM CCC[C@@H](OCC)C(=O)[N-]c1nnnn1C ZINC000904191501 584849225 /nfs/dbraw/zinc/84/92/25/584849225.db2.gz SAIXIVCULLWOOB-SSDOTTSWSA-N -1 3 227.268 0.354 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1CCC=CCC1 ZINC000904191250 584849383 /nfs/dbraw/zinc/84/93/83/584849383.db2.gz PYMLGUKZOCBGAK-UHFFFAOYSA-N -1 3 221.264 0.895 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1SCCCS1 ZINC000904191770 584849440 /nfs/dbraw/zinc/84/94/40/584849440.db2.gz OYAPVHRACSCYGJ-UHFFFAOYSA-N -1 3 245.333 0.345 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000904192034 584849467 /nfs/dbraw/zinc/84/94/67/584849467.db2.gz XKDIFIVKVFZKHW-RKDXNWHRSA-N -1 3 235.291 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CC2CCC1CC2 ZINC000904194133 584849729 /nfs/dbraw/zinc/84/97/29/584849729.db2.gz VABWWEYQKIDGFU-AMDVSUOASA-N -1 3 235.291 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CC2CCC1CC2 ZINC000904194134 584849780 /nfs/dbraw/zinc/84/97/80/584849780.db2.gz VABWWEYQKIDGFU-HACHORDNSA-N -1 3 235.291 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)C(C)(C)C(F)F ZINC000904194055 584849929 /nfs/dbraw/zinc/84/99/29/584849929.db2.gz RXQKZNAVNDMROS-UHFFFAOYSA-N -1 3 219.195 0.440 20 0 BCADHM COC[C@H](C)[C@H](C)C(=O)[N-]c1nnnn1C ZINC000904193735 584849938 /nfs/dbraw/zinc/84/99/38/584849938.db2.gz MNVRMHOWLICXCN-BQBZGAKWSA-N -1 3 227.268 0.067 20 0 BCADHM C[C@H]1CCC[C@H]1CC(=O)[N-]c1nnnn1C ZINC000904194920 584850071 /nfs/dbraw/zinc/85/00/71/584850071.db2.gz GZYNWRQYWYKROA-YUMQZZPRSA-N -1 3 223.280 0.975 20 0 BCADHM C[C@H]1CC[C@@H](CC(=O)[N-]c2nnnn2C)C1 ZINC000904194998 584850075 /nfs/dbraw/zinc/85/00/75/584850075.db2.gz PQPYKHJJLATHKG-JGVFFNPUSA-N -1 3 223.280 0.975 20 0 BCADHM CC(C)[C@H](F)C(=O)[N-]c1nnnn1C ZINC000904194748 584850110 /nfs/dbraw/zinc/85/01/10/584850110.db2.gz DXXXIPJHUSSCCU-YFKPBYRVSA-N -1 3 201.205 0.143 20 0 BCADHM Cn1nnnc1[N-]C(=O)CC1CCSCC1 ZINC000904194798 584850216 /nfs/dbraw/zinc/85/02/16/584850216.db2.gz KYYKFEFGQLZEIM-UHFFFAOYSA-N -1 3 241.320 0.682 20 0 BCADHM C[C@@H]1CC[C@H](C(=O)[N-]c2nnnn2C)C1 ZINC000904194939 584850380 /nfs/dbraw/zinc/85/03/80/584850380.db2.gz HIVBSDNLPHZTIZ-RQJHMYQMSA-N -1 3 209.253 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@@H]1CCCCO1 ZINC000904195924 584850519 /nfs/dbraw/zinc/85/05/19/584850519.db2.gz YDKVOXUOMFRVGP-ZETCQYMHSA-N -1 3 225.252 0.108 20 0 BCADHM COC1CCC(C(=O)[N-]c2nnnn2C)CC1 ZINC000904196183 584850631 /nfs/dbraw/zinc/85/06/31/584850631.db2.gz WEWMNLOPKKMBTE-UHFFFAOYSA-N -1 3 239.279 0.354 20 0 BCADHM CC[C@H]1C[C@@H](C(=O)[N-]c2nnnn2C)CCO1 ZINC000904195880 584850653 /nfs/dbraw/zinc/85/06/53/584850653.db2.gz RZUDGJGNWJGTFY-YUMQZZPRSA-N -1 3 239.279 0.354 20 0 BCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904196505 584850741 /nfs/dbraw/zinc/85/07/41/584850741.db2.gz ZPPARRQBAUQJQO-GMSGAONNSA-N -1 3 223.280 0.831 20 0 BCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)[N-]c1nnnn1C ZINC000904196506 584850793 /nfs/dbraw/zinc/85/07/93/584850793.db2.gz ZPPARRQBAUQJQO-OIBJUYFYSA-N -1 3 223.280 0.831 20 0 BCADHM Cc1ccc(CC(=O)[N-]c2nnnn2C)s1 ZINC000904199465 584850922 /nfs/dbraw/zinc/85/09/22/584850922.db2.gz KKPDZFNGOZAWKL-UHFFFAOYSA-N -1 3 237.288 0.761 20 0 BCADHM CSC[C@H](C)C(=O)[N-]c1nnnn1C ZINC000904200771 584851040 /nfs/dbraw/zinc/85/10/40/584851040.db2.gz WTSOZZSYRVOQRO-YFKPBYRVSA-N -1 3 215.282 0.148 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1Cc2ccccc21 ZINC000904199729 584851186 /nfs/dbraw/zinc/85/11/86/584851186.db2.gz SSJSEVZHZOFEGQ-SECBINFHSA-N -1 3 229.243 0.489 20 0 BCADHM Cn1nnnc1[N-]C(=O)COCc1ccccc1 ZINC000904204558 584852466 /nfs/dbraw/zinc/85/24/66/584852466.db2.gz WCCVHGSQVGHBEL-UHFFFAOYSA-N -1 3 247.258 0.365 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)NCCN1CCC[C@@H]1C ZINC000827289714 584898196 /nfs/dbraw/zinc/89/81/96/584898196.db2.gz ADBHVUHXLTXPJZ-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CC(C)(O)CON=C([O-])Nc1nccs1 ZINC000788028121 584912760 /nfs/dbraw/zinc/91/27/60/584912760.db2.gz DQXHJQWIOXNAHN-UHFFFAOYSA-N -1 3 231.277 0.967 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Nc1nccs1 ZINC000788028121 584912761 /nfs/dbraw/zinc/91/27/61/584912761.db2.gz DQXHJQWIOXNAHN-UHFFFAOYSA-N -1 3 231.277 0.967 20 0 BCADHM Cn1ccc(NC([O-])=NOCC(C)(C)O)n1 ZINC000788037183 584927914 /nfs/dbraw/zinc/92/79/14/584927914.db2.gz PBEZJGPSIBUFFQ-UHFFFAOYSA-N -1 3 228.252 0.244 20 0 BCADHM Cn1ccc(NC(=O)[N-]OCC(C)(C)O)n1 ZINC000788037183 584927915 /nfs/dbraw/zinc/92/79/15/584927915.db2.gz PBEZJGPSIBUFFQ-UHFFFAOYSA-N -1 3 228.252 0.244 20 0 BCADHM O=C([N-]C1=NCCS1)[C@@H](O)c1cccnc1 ZINC000731868044 584930582 /nfs/dbraw/zinc/93/05/82/584930582.db2.gz JNJNBYOMOTVUKB-QMMMGPOBSA-N -1 3 237.284 0.334 20 0 BCADHM CC(C)CCOC(=O)CN1CC(=O)[N-]C1=O ZINC000731913634 584931220 /nfs/dbraw/zinc/93/12/20/584931220.db2.gz ZJTMYUUIKOYHSX-UHFFFAOYSA-N -1 3 228.248 0.128 20 0 BCADHM CC(C)(C)C(=O)[N-]OCC(=O)NCC1CCC1 ZINC000732805480 584941367 /nfs/dbraw/zinc/94/13/67/584941367.db2.gz CEZZNLQZFXOOLD-UHFFFAOYSA-N -1 3 242.319 0.997 20 0 BCADHM CCNC(=O)CO[N-]C(=O)C(C)(C)C ZINC000732805530 584941416 /nfs/dbraw/zinc/94/14/16/584941416.db2.gz FTYZMONTIFUTCM-UHFFFAOYSA-N -1 3 202.254 0.216 20 0 BCADHM Cc1ccc(C(=O)N[C@@]2(C)CCNC2=O)c([O-])c1 ZINC000889034322 584944120 /nfs/dbraw/zinc/94/41/20/584944120.db2.gz SYLPDHQHTMASRS-ZDUSSCGKSA-N -1 3 248.282 0.709 20 0 BCADHM CCCS(=O)(=O)[N-]C[C@@H](OC)C(F)(F)F ZINC000733320569 584946981 /nfs/dbraw/zinc/94/69/81/584946981.db2.gz QSUMHPHEPVHEKP-ZCFIWIBFSA-N -1 3 249.254 0.893 20 0 BCADHM CN1CC[C@@H](OC(=O)c2cncc([O-])c2)C1=O ZINC000734896027 584969808 /nfs/dbraw/zinc/96/98/08/584969808.db2.gz LGFNJHOYEBTOOD-SECBINFHSA-N -1 3 236.227 0.175 20 0 BCADHM CCO[N-]C(=O)CCCn1ccccc1=O ZINC000735032610 584971629 /nfs/dbraw/zinc/97/16/29/584971629.db2.gz TUPVHSMJQUZGGZ-UHFFFAOYSA-N -1 3 224.260 0.696 20 0 BCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(N)=O ZINC000735661599 584980974 /nfs/dbraw/zinc/98/09/74/584980974.db2.gz OILQXDHVEOBRCS-UHFFFAOYSA-N -1 3 249.278 0.914 20 0 BCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(N)=O ZINC000735661599 584980975 /nfs/dbraw/zinc/98/09/75/584980975.db2.gz OILQXDHVEOBRCS-UHFFFAOYSA-N -1 3 249.278 0.914 20 0 BCADHM CC(C)OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735894087 584984088 /nfs/dbraw/zinc/98/40/88/584984088.db2.gz CTZRQPSEXLZFPK-UHFFFAOYSA-N -1 3 233.231 0.827 20 0 BCADHM CC(C)OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735894087 584984089 /nfs/dbraw/zinc/98/40/89/584984089.db2.gz CTZRQPSEXLZFPK-UHFFFAOYSA-N -1 3 233.231 0.827 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N1C[C@@H]2[C@H](C1)C2(C)C ZINC000736206770 584992075 /nfs/dbraw/zinc/99/20/75/584992075.db2.gz FDYWZWYFHJZBDA-XHNCKOQMSA-N -1 3 240.303 0.164 20 0 BCADHM CC(C)(NC(=O)[O-])C(=O)NCCN1CCCC1 ZINC000736332803 584998257 /nfs/dbraw/zinc/99/82/57/584998257.db2.gz WGAIQUXTORZCIX-UHFFFAOYSA-N -1 3 243.307 0.245 20 0 BCADHM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@H](C)N(C)C ZINC000736366424 584999467 /nfs/dbraw/zinc/99/94/67/584999467.db2.gz CBVXXOZRJWQICS-IUCAKERBSA-N -1 3 245.323 0.345 20 0 BCADHM CC(C)N(C)CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000736455108 585002839 /nfs/dbraw/zinc/00/28/39/585002839.db2.gz NUVYRIKPWFPBQX-JTQLQIEISA-N -1 3 244.335 0.942 20 0 BCADHM CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736470462 585003682 /nfs/dbraw/zinc/00/36/82/585003682.db2.gz GLQZWYZFPHNIRS-UHFFFAOYSA-N -1 3 246.274 0.744 20 0 BCADHM CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736470462 585003683 /nfs/dbraw/zinc/00/36/83/585003683.db2.gz GLQZWYZFPHNIRS-UHFFFAOYSA-N -1 3 246.274 0.744 20 0 BCADHM CCCOC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736487309 585004124 /nfs/dbraw/zinc/00/41/24/585004124.db2.gz DPZIGXGWTSFFOC-UHFFFAOYSA-N -1 3 233.231 0.829 20 0 BCADHM CCCOC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736487309 585004125 /nfs/dbraw/zinc/00/41/25/585004125.db2.gz DPZIGXGWTSFFOC-UHFFFAOYSA-N -1 3 233.231 0.829 20 0 BCADHM C[C@@H](CN(C)CC(=O)NCC1CCC1)C(=O)[O-] ZINC000736570621 585006281 /nfs/dbraw/zinc/00/62/81/585006281.db2.gz DIFAPSHCCXILBX-VIFPVBQESA-N -1 3 242.319 0.555 20 0 BCADHM CC(=O)C1(C(=O)[N-]C2=NC[C@H](C)S2)CC1 ZINC000819781452 585007880 /nfs/dbraw/zinc/00/78/80/585007880.db2.gz OLBVYWDKXUJDEM-LURJTMIESA-N -1 3 226.301 0.963 20 0 BCADHM C[C@H]1C[C@H](N(C)C(=O)CCC(=O)[O-])CCN1C ZINC000736757174 585011539 /nfs/dbraw/zinc/01/15/39/585011539.db2.gz YWQYKSODRTVPQJ-VHSXEESVSA-N -1 3 242.319 0.792 20 0 BCADHM C[C@H]1C[C@H](C)N(CC(=O)NCCC(=O)[O-])C1 ZINC000736756553 585011673 /nfs/dbraw/zinc/01/16/73/585011673.db2.gz UARKPRQHALHCRV-IUCAKERBSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@H]1C[C@@H](N(C)C(=O)CCC(=O)[O-])CCN1C ZINC000736757173 585011755 /nfs/dbraw/zinc/01/17/55/585011755.db2.gz YWQYKSODRTVPQJ-UWVGGRQHSA-N -1 3 242.319 0.792 20 0 BCADHM CCCCCCNC(=O)[N-]c1nnnn1CC ZINC000888345216 585012669 /nfs/dbraw/zinc/01/26/69/585012669.db2.gz SNWFEMCINBDWGG-UHFFFAOYSA-N -1 3 240.311 0.817 20 0 BCADHM C[C@@H]1CCCN(CC(=O)NCCC(=O)[O-])[C@@H]1C ZINC000736794569 585014886 /nfs/dbraw/zinc/01/48/86/585014886.db2.gz QPVSIHMOGQPTKH-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM C[C@@H]1CCCN(CC(=O)NCCC(=O)[O-])[C@H]1C ZINC000736794575 585015041 /nfs/dbraw/zinc/01/50/41/585015041.db2.gz QPVSIHMOGQPTKH-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM C[C@H]1CCN(CC(=O)NCCCC(=O)[O-])C1 ZINC000736798023 585015178 /nfs/dbraw/zinc/01/51/78/585015178.db2.gz PWFUJUYGYONUCQ-VIFPVBQESA-N -1 3 228.292 0.309 20 0 BCADHM C[C@H]1CSCCN1CCC(=O)NCC(=O)[O-] ZINC000736826488 585016970 /nfs/dbraw/zinc/01/69/70/585016970.db2.gz SYMNVVBQMJITIP-QMMMGPOBSA-N -1 3 246.332 0.015 20 0 BCADHM CCC(C)(C)N(C)CC(=O)NCCC(=O)[O-] ZINC000736859469 585018318 /nfs/dbraw/zinc/01/83/18/585018318.db2.gz SIPQJZSTYZYCHA-UHFFFAOYSA-N -1 3 230.308 0.698 20 0 BCADHM CNC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000736878602 585018497 /nfs/dbraw/zinc/01/84/97/585018497.db2.gz FFGKEYYFKIMRAA-UHFFFAOYSA-N -1 3 249.299 0.705 20 0 BCADHM CNC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000736878602 585018498 /nfs/dbraw/zinc/01/84/98/585018498.db2.gz FFGKEYYFKIMRAA-UHFFFAOYSA-N -1 3 249.299 0.705 20 0 BCADHM CCN1CCCC[C@H]1C(=O)NCCC(=O)[O-] ZINC000737115762 585026099 /nfs/dbraw/zinc/02/60/99/585026099.db2.gz QVZWTYHLKAGEGW-VIFPVBQESA-N -1 3 228.292 0.452 20 0 BCADHM CCOCCN1CCN(CCC(=O)[O-])C[C@H]1C ZINC000737176602 585026895 /nfs/dbraw/zinc/02/68/95/585026895.db2.gz GVUOKMFKUAOUPG-LLVKDONJSA-N -1 3 244.335 0.504 20 0 BCADHM CN(C)[C@@H]1CCCN(C(=O)CN(C)C(=O)[O-])C1 ZINC000737384790 585030955 /nfs/dbraw/zinc/03/09/55/585030955.db2.gz JPWNZXGFXIUOJJ-SECBINFHSA-N -1 3 243.307 0.149 20 0 BCADHM CN(C)CCNC(=O)C1CCN(C(=O)[O-])CC1 ZINC000737367310 585031016 /nfs/dbraw/zinc/03/10/16/585031016.db2.gz HFGPXNOODBPKNI-UHFFFAOYSA-N -1 3 243.307 0.054 20 0 BCADHM CN(CCNC(=O)C(C)(C)NC(=O)[O-])C1CC1 ZINC000737442112 585032465 /nfs/dbraw/zinc/03/24/65/585032465.db2.gz DPYUOSQGJUPIMY-UHFFFAOYSA-N -1 3 243.307 0.243 20 0 BCADHM CN(C(=O)CCNC(=O)[O-])[C@H]1CCCN(C)C1 ZINC000737514048 585034578 /nfs/dbraw/zinc/03/45/78/585034578.db2.gz DDVICYUFFBGDAH-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CN(C[C@@H]1CCCN(C)C1)C(=O)CNC(=O)[O-] ZINC000737516018 585034639 /nfs/dbraw/zinc/03/46/39/585034639.db2.gz YQRXPTJCVZSFPZ-SECBINFHSA-N -1 3 243.307 0.054 20 0 BCADHM CN1CCC[C@H]1CNC(=O)CCCNC(=O)[O-] ZINC000737518149 585034897 /nfs/dbraw/zinc/03/48/97/585034897.db2.gz CFHFTNDPXMASFW-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM COc1ccc(C(=O)[N-]c2nonc2C)nn1 ZINC000737530397 585034940 /nfs/dbraw/zinc/03/49/40/585034940.db2.gz SMPCUZMRXWAQKK-UHFFFAOYSA-N -1 3 235.203 0.429 20 0 BCADHM CN(C(=O)[O-])C1CCN(CC(C)(C)O)CC1 ZINC000737941075 585039775 /nfs/dbraw/zinc/03/97/75/585039775.db2.gz YHJVYZBUVYMZBQ-UHFFFAOYSA-N -1 3 230.308 0.832 20 0 BCADHM C[Si](C)(C)CN1CCO[C@H](C(=O)[O-])C1 ZINC000738149143 585041484 /nfs/dbraw/zinc/04/14/84/585041484.db2.gz NBHADJKTNKMQHE-QMMMGPOBSA-N -1 3 217.341 0.649 20 0 BCADHM Cc1nc(C)n([C@@H]2CCCN(CC(=O)[O-])C2)n1 ZINC000738348380 585043796 /nfs/dbraw/zinc/04/37/96/585043796.db2.gz IKTLHOPNWLKQNI-SNVBAGLBSA-N -1 3 238.291 0.616 20 0 BCADHM C[C@H](O)COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838144945 585047300 /nfs/dbraw/zinc/04/73/00/585047300.db2.gz MZGVBNQBYCQWHF-ZETCQYMHSA-N -1 3 228.219 0.998 20 0 BCADHM CC[C@H](C)OC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000738594670 585048182 /nfs/dbraw/zinc/04/81/82/585048182.db2.gz JEKWYXLLADTJIP-NKWVEPMBSA-N -1 3 228.248 0.316 20 0 BCADHM CC(C(=O)Nc1[n-]nnc1C(N)=O)=C1CCC1 ZINC000839357079 585101958 /nfs/dbraw/zinc/10/19/58/585101958.db2.gz SPIUMXXGFGONKP-UHFFFAOYSA-N -1 3 235.247 0.343 20 0 BCADHM CC(C(=O)Nc1nn[n-]c1C(N)=O)=C1CCC1 ZINC000839357079 585101959 /nfs/dbraw/zinc/10/19/59/585101959.db2.gz SPIUMXXGFGONKP-UHFFFAOYSA-N -1 3 235.247 0.343 20 0 BCADHM CC(C(=O)Nc1n[n-]nc1C(N)=O)=C1CCC1 ZINC000839357079 585101960 /nfs/dbraw/zinc/10/19/60/585101960.db2.gz SPIUMXXGFGONKP-UHFFFAOYSA-N -1 3 235.247 0.343 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-]Cc1nonc1C ZINC000742326127 585124546 /nfs/dbraw/zinc/12/45/46/585124546.db2.gz YZMBUSWZLHQBBN-ZETCQYMHSA-N -1 3 247.320 0.844 20 0 BCADHM CC1(COC(=O)c2cncc([O-])c2)COC1 ZINC000745002245 585155201 /nfs/dbraw/zinc/15/52/01/585155201.db2.gz KOPIJJHSBGJWRY-UHFFFAOYSA-N -1 3 223.228 0.981 20 0 BCADHM COCCO[N-]C(=O)c1c(C)nn(C)c1Cl ZINC000748769334 585195632 /nfs/dbraw/zinc/19/56/32/585195632.db2.gz MLAXYGNSCSRXSH-UHFFFAOYSA-N -1 3 247.682 0.690 20 0 BCADHM COCCO[N-]C(=O)C1=COCCC1 ZINC000748770424 585195737 /nfs/dbraw/zinc/19/57/37/585195737.db2.gz UYSGUTMAZFCUCS-UHFFFAOYSA-N -1 3 201.222 0.375 20 0 BCADHM CCO[N-]C(=O)CCC(C)(C)C(=O)NOCC ZINC000749340023 585201590 /nfs/dbraw/zinc/20/15/90/585201590.db2.gz LHFRDPJHZODYCD-UHFFFAOYSA-N -1 3 246.307 0.928 20 0 BCADHM CC[C@H](OC(=O)c1ccc(F)cc1[O-])C(N)=O ZINC000750166140 585211544 /nfs/dbraw/zinc/21/15/44/585211544.db2.gz QSFZRDFAJZPEOL-VIFPVBQESA-N -1 3 241.218 0.952 20 0 BCADHM Cc1cc(NCCCc2n[nH]c(=O)[n-]2)nc(N)n1 ZINC000750178688 585212053 /nfs/dbraw/zinc/21/20/53/585212053.db2.gz GNKNBSSICRZESS-UHFFFAOYSA-N -1 3 249.278 0.236 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]OCCOC ZINC000750380357 585213927 /nfs/dbraw/zinc/21/39/27/585213927.db2.gz PAFRKWBWPYDLKW-QMMMGPOBSA-N -1 3 205.254 0.232 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000751205821 585225875 /nfs/dbraw/zinc/22/58/75/585225875.db2.gz XWQAPTDQCIZSRI-LURJTMIESA-N -1 3 238.243 0.266 20 0 BCADHM CCCCCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000752877895 585251219 /nfs/dbraw/zinc/25/12/19/585251219.db2.gz FOIBYQRNXVKLHR-QMMMGPOBSA-N -1 3 234.321 0.584 20 0 BCADHM CC(=O)[N-]OCc1nccn1C(F)F ZINC000753118848 585253737 /nfs/dbraw/zinc/25/37/37/585253737.db2.gz KMGNRXCWDOAVCG-UHFFFAOYSA-N -1 3 205.164 0.846 20 0 BCADHM COCCCO[N-]C(=O)Cc1ccoc1 ZINC000805039443 585257154 /nfs/dbraw/zinc/25/71/54/585257154.db2.gz YXJZBBVAGMDVNV-UHFFFAOYSA-N -1 3 213.233 0.906 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1CCCCN1C ZINC000805039307 585257198 /nfs/dbraw/zinc/25/71/98/585257198.db2.gz XOKZZKZGXVQYGD-JTQLQIEISA-N -1 3 230.308 0.555 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1CCCN1C ZINC000805042288 585258964 /nfs/dbraw/zinc/25/89/64/585258964.db2.gz YBQDQCQHHYIAFW-SECBINFHSA-N -1 3 216.281 0.165 20 0 BCADHM COCCCO[N-]C(=O)Cc1cncnc1 ZINC000805043522 585260707 /nfs/dbraw/zinc/26/07/07/585260707.db2.gz WPYLRBNUBHXOGS-UHFFFAOYSA-N -1 3 225.248 0.103 20 0 BCADHM Cc1cc(=O)[n-]c(CN2CCO[C@@H](C)C2)n1 ZINC000754798001 585290950 /nfs/dbraw/zinc/29/09/50/585290950.db2.gz JJZSSZCQKQTTRJ-VIFPVBQESA-N -1 3 223.276 0.711 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1CC12CCC2 ZINC000839738312 585338476 /nfs/dbraw/zinc/33/84/76/585338476.db2.gz GOFZTZNXYZREFD-MRVPVSSYSA-N -1 3 213.277 0.995 20 0 BCADHM COC[C@@H](C)CC(=O)[N-]OCC(C)(C)O ZINC000839739303 585339470 /nfs/dbraw/zinc/33/94/70/585339470.db2.gz PNPCOHQEFSEGCN-QMMMGPOBSA-N -1 3 219.281 0.478 20 0 BCADHM CC(C)[C@H](C(=O)[N-]OCC(C)(C)O)N(C)C ZINC000839739252 585339577 /nfs/dbraw/zinc/33/95/77/585339577.db2.gz OOKVPCSZRXQKNW-SECBINFHSA-N -1 3 232.324 0.391 20 0 BCADHM O=S(=O)([N-]Cc1ccon1)c1ccccn1 ZINC000758341919 585354391 /nfs/dbraw/zinc/35/43/91/585354391.db2.gz VGAMHCQSETUUGJ-UHFFFAOYSA-N -1 3 239.256 0.548 20 0 BCADHM Cn1cc(/C=C/C(=O)[N-]OCC(F)F)cn1 ZINC000759330985 585367156 /nfs/dbraw/zinc/36/71/56/585367156.db2.gz LCAZBXOYSJVBSF-NSCUHMNNSA-N -1 3 231.202 0.746 20 0 BCADHM CC[C@H](C(=O)[N-]OCC(F)F)N(C)C ZINC000760145399 585385997 /nfs/dbraw/zinc/38/59/97/585385997.db2.gz BRDKVVKHTAASNJ-ZCFIWIBFSA-N -1 3 210.224 0.640 20 0 BCADHM Cc1cc(=O)[n-]c(CN(C)Cc2cnccn2)n1 ZINC000761880024 585421506 /nfs/dbraw/zinc/42/15/06/585421506.db2.gz CFMDUNNIOLFNRW-UHFFFAOYSA-N -1 3 245.286 0.913 20 0 BCADHM CO[C@@H]1CCN(Cc2nc(C)cc(=O)[n-]2)C1 ZINC000761887525 585422287 /nfs/dbraw/zinc/42/22/87/585422287.db2.gz UTNZCZHPURIMPN-SECBINFHSA-N -1 3 223.276 0.711 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000764204000 585461684 /nfs/dbraw/zinc/46/16/84/585461684.db2.gz GXAYZGHUYLJYKL-WCBMZHEXSA-N -1 3 215.249 0.107 20 0 BCADHM Cn1nncc1C=Cc1nccc(=O)[n-]1 ZINC000764434566 585465270 /nfs/dbraw/zinc/46/52/70/585465270.db2.gz KHLLUJWLABYYMI-IHWYPQMZSA-N -1 3 203.205 0.481 20 0 BCADHM Cn1cc(C=Cc2nccc(=O)[n-]2)nn1 ZINC000764442297 585465768 /nfs/dbraw/zinc/46/57/68/585465768.db2.gz NGVJPWIEXZULIV-IHWYPQMZSA-N -1 3 203.205 0.481 20 0 BCADHM C[C@H](CO)COC(=O)c1cncc([O-])c1 ZINC000766711173 585506175 /nfs/dbraw/zinc/50/61/75/585506175.db2.gz FXRUNWAFYUUWOP-SSDOTTSWSA-N -1 3 211.217 0.572 20 0 BCADHM CC(C)COC(=O)CSc1n[n-]c(CO)n1 ZINC000767081577 585513437 /nfs/dbraw/zinc/51/34/37/585513437.db2.gz YJTWVDFCKMQWBA-UHFFFAOYSA-N -1 3 245.304 0.588 20 0 BCADHM C[C@H]1COCC[C@H]1C(=O)[N-]OCC(F)F ZINC000767990828 585529184 /nfs/dbraw/zinc/52/91/84/585529184.db2.gz DFTDUGICFFUMRS-NKWVEPMBSA-N -1 3 223.219 0.972 20 0 BCADHM CC(C)C[C@@H](O)CNC(=O)c1csc(=O)[n-]1 ZINC000769709311 585562464 /nfs/dbraw/zinc/56/24/64/585562464.db2.gz GESLLHRDUICILC-SSDOTTSWSA-N -1 3 244.316 0.986 20 0 BCADHM O=C(CC1COC1)Nc1ncccc1[O-] ZINC000769720747 585562535 /nfs/dbraw/zinc/56/25/35/585562535.db2.gz SLQHUTKXEMWERF-UHFFFAOYSA-N -1 3 208.217 0.762 20 0 BCADHM Cc1cc(=O)[n-]c(CN2CCn3ncnc3C2)n1 ZINC000770688667 585579980 /nfs/dbraw/zinc/57/99/80/585579980.db2.gz ZLEOBXMIKOXOJN-UHFFFAOYSA-N -1 3 246.274 0.098 20 0 BCADHM O=C(OCCn1ccnc1)c1cncc([O-])c1 ZINC000771960835 585605604 /nfs/dbraw/zinc/60/56/04/585605604.db2.gz ZHRBXPYOCRXNGR-UHFFFAOYSA-N -1 3 233.227 0.841 20 0 BCADHM O=C(OCCOCCO)c1c([O-])cccc1F ZINC000772579330 585618400 /nfs/dbraw/zinc/61/84/00/585618400.db2.gz BDYRYCFHEOSGBN-UHFFFAOYSA-N -1 3 244.218 0.697 20 0 BCADHM CCNC(=O)COC(=O)c1c([O-])cccc1F ZINC000772593567 585618573 /nfs/dbraw/zinc/61/85/73/585618573.db2.gz QOVZSRPCUFOYFZ-UHFFFAOYSA-N -1 3 241.218 0.824 20 0 BCADHM CCCN1CCC[C@H]1C(=O)[N-]OCCOCC ZINC000772696274 585620946 /nfs/dbraw/zinc/62/09/46/585620946.db2.gz PXZQRZHZUNAXQF-NSHDSACASA-N -1 3 244.335 0.945 20 0 BCADHM O=C([N-]OC1CCOCC1)c1ccc(=O)[nH]c1 ZINC000772705294 585621617 /nfs/dbraw/zinc/62/16/17/585621617.db2.gz DSJCTOKUDKPPJS-UHFFFAOYSA-N -1 3 238.243 0.628 20 0 BCADHM CCOCCC(=O)[N-]OC1CCOCC1 ZINC000772712255 585621758 /nfs/dbraw/zinc/62/17/58/585621758.db2.gz XIBNWNXAXCDCMW-UHFFFAOYSA-N -1 3 217.265 0.640 20 0 BCADHM O=C([N-]OC1CCOCC1)[C@H]1CCSC1 ZINC000772710899 585621774 /nfs/dbraw/zinc/62/17/74/585621774.db2.gz IHJAGJLSLOPEOU-QMMMGPOBSA-N -1 3 231.317 0.966 20 0 BCADHM O=C([N-]OC1CCOCC1)[C@H]1C[C@]12CCOC2 ZINC000772711243 585621855 /nfs/dbraw/zinc/62/18/55/585621855.db2.gz OIONJCZCKIAKHI-PWSUYJOCSA-N -1 3 241.287 0.640 20 0 BCADHM COCCO[N-]C(=O)Cc1ccc(C)c(O)c1 ZINC000772917891 585627470 /nfs/dbraw/zinc/62/74/70/585627470.db2.gz ZDSVLCJBZAIMJK-UHFFFAOYSA-N -1 3 239.271 0.937 20 0 BCADHM CCC/C(C)=C\C(=O)[N-]OCC(N)=O ZINC000772936302 585627731 /nfs/dbraw/zinc/62/77/31/585627731.db2.gz MSQROLALEYXYNH-ALCCZGGFSA-N -1 3 200.238 0.266 20 0 BCADHM O=C(CCc1nnc[nH]1)[N-]Oc1ccccc1 ZINC000773471994 585637694 /nfs/dbraw/zinc/63/76/94/585637694.db2.gz IKCMCBPPVHRSCJ-UHFFFAOYSA-N -1 3 232.243 0.848 20 0 BCADHM Cn1nccc1COC(=O)c1cncc([O-])c1 ZINC000773519428 585639139 /nfs/dbraw/zinc/63/91/39/585639139.db2.gz XCCKQLVUNBSOOE-UHFFFAOYSA-N -1 3 233.227 0.878 20 0 BCADHM C[C@@H](CC(N)=O)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000773893533 585645759 /nfs/dbraw/zinc/64/57/59/585645759.db2.gz INRMGUGNRGJSIA-IONNQARKSA-N -1 3 230.264 0.072 20 0 BCADHM C[C@H](CC(N)=O)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000773893535 585645940 /nfs/dbraw/zinc/64/59/40/585645940.db2.gz INRMGUGNRGJSIA-VXNVDRBHSA-N -1 3 230.264 0.072 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]OC1CCOCC1 ZINC000775239947 585673309 /nfs/dbraw/zinc/67/33/09/585673309.db2.gz CGSGIWVGWAKUNF-VIFPVBQESA-N -1 3 231.292 0.764 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1nc(C2CC2)no1 ZINC000805545025 585678186 /nfs/dbraw/zinc/67/81/86/585678186.db2.gz AIIKGYGGTKXQMC-UHFFFAOYSA-N -1 3 249.230 0.731 20 0 BCADHM Cc1n[n-]nc1C(=O)OCC(=O)CC(C)C ZINC000805545697 585678449 /nfs/dbraw/zinc/67/84/49/585678449.db2.gz ALBSDBBACDSVHA-UHFFFAOYSA-N -1 3 225.248 0.885 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCCCCCO ZINC000805545940 585678732 /nfs/dbraw/zinc/67/87/32/585678732.db2.gz HLRHOQUKPFDGQY-UHFFFAOYSA-N -1 3 227.264 0.823 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1ccncc1 ZINC000805546585 585679613 /nfs/dbraw/zinc/67/96/13/585679613.db2.gz OIQVQJYNKDFSQA-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1cn[nH]c1 ZINC000805546728 585679702 /nfs/dbraw/zinc/67/97/02/585679702.db2.gz PVZPMUXRXXKMHP-UHFFFAOYSA-N -1 3 207.193 0.193 20 0 BCADHM Cc1n[n-]nc1C(=O)OCC[C@H]1CCOC1=O ZINC000805547739 585680864 /nfs/dbraw/zinc/68/08/64/585680864.db2.gz UTHMKXONHLQFQZ-SSDOTTSWSA-N -1 3 239.231 0.223 20 0 BCADHM Cc1n[n-]nc1C(=O)OCC[C@@H]1CCOC1=O ZINC000805547741 585681167 /nfs/dbraw/zinc/68/11/67/585681167.db2.gz UTHMKXONHLQFQZ-ZETCQYMHSA-N -1 3 239.231 0.223 20 0 BCADHM Cc1noc([C@@H](C)OC(=O)c2n[n-]nc2C)n1 ZINC000805547981 585681371 /nfs/dbraw/zinc/68/13/71/585681371.db2.gz ZDVHAKVBOIABLE-RXMQYKEDSA-N -1 3 237.219 0.723 20 0 BCADHM Cn1nccc1NC([O-])=NOCC(F)F ZINC000775750085 585684096 /nfs/dbraw/zinc/68/40/96/585684096.db2.gz ARAFKFGZBSQDMQ-UHFFFAOYSA-N -1 3 220.179 0.738 20 0 BCADHM Cn1nccc1NC(=O)[N-]OCC(F)F ZINC000775750085 585684097 /nfs/dbraw/zinc/68/40/97/585684097.db2.gz ARAFKFGZBSQDMQ-UHFFFAOYSA-N -1 3 220.179 0.738 20 0 BCADHM O=C(OCCO)c1nn[n-]c1-c1ccccc1 ZINC000805551672 585685740 /nfs/dbraw/zinc/68/57/40/585685740.db2.gz NZSVLHXACUXONM-UHFFFAOYSA-N -1 3 233.227 0.621 20 0 BCADHM O=C(OCCO)c1[n-]nnc1-c1ccccc1 ZINC000805551672 585685741 /nfs/dbraw/zinc/68/57/41/585685741.db2.gz NZSVLHXACUXONM-UHFFFAOYSA-N -1 3 233.227 0.621 20 0 BCADHM O=C(OCCO)c1n[n-]nc1-c1ccccc1 ZINC000805551672 585685742 /nfs/dbraw/zinc/68/57/42/585685742.db2.gz NZSVLHXACUXONM-UHFFFAOYSA-N -1 3 233.227 0.621 20 0 BCADHM COC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000775907374 585687486 /nfs/dbraw/zinc/68/74/86/585687486.db2.gz GZIWWLMPSNZFRM-UHFFFAOYSA-N -1 3 224.142 0.680 20 0 BCADHM COC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000775907374 585687487 /nfs/dbraw/zinc/68/74/87/585687487.db2.gz GZIWWLMPSNZFRM-UHFFFAOYSA-N -1 3 224.142 0.680 20 0 BCADHM COC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775907374 585687488 /nfs/dbraw/zinc/68/74/88/585687488.db2.gz GZIWWLMPSNZFRM-UHFFFAOYSA-N -1 3 224.142 0.680 20 0 BCADHM O=C([N-]N1CN=NC1=O)C1(F)CCCC1 ZINC000776186591 585692023 /nfs/dbraw/zinc/69/20/23/585692023.db2.gz ZFVYEXZWQJGTAU-UHFFFAOYSA-N -1 3 214.200 0.336 20 0 BCADHM COc1ncccc1NC([O-])=NOCCO ZINC000776298801 585695409 /nfs/dbraw/zinc/69/54/09/585695409.db2.gz SAWYYPNGXYZFOZ-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM COc1ncccc1NC(=O)[N-]OCCO ZINC000776298801 585695410 /nfs/dbraw/zinc/69/54/10/585695410.db2.gz SAWYYPNGXYZFOZ-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM O=C(Cc1ccc(F)cc1)[N-]OCCO ZINC000776584250 585701471 /nfs/dbraw/zinc/70/14/71/585701471.db2.gz IRDUSHBKBMAZTA-UHFFFAOYSA-N -1 3 213.208 0.408 20 0 BCADHM COc1ccccc1CCC(=O)[N-]OCCO ZINC000776584794 585701644 /nfs/dbraw/zinc/70/16/44/585701644.db2.gz PGHXFMRXYYJXFA-UHFFFAOYSA-N -1 3 239.271 0.668 20 0 BCADHM Cc1ccc([O-])c(C(=O)NOCCO)c1 ZINC000776583996 585701716 /nfs/dbraw/zinc/70/17/16/585701716.db2.gz IOPKSCNQFLIAPH-UHFFFAOYSA-N -1 3 211.217 0.354 20 0 BCADHM COc1cc(CC(=O)[N-]OCCO)ccc1C ZINC000776584823 585701731 /nfs/dbraw/zinc/70/17/31/585701731.db2.gz RDLJQTJMDYSLTR-UHFFFAOYSA-N -1 3 239.271 0.586 20 0 BCADHM O=C(NN1CN=NC1=O)c1ccccc1[O-] ZINC000777768585 585719834 /nfs/dbraw/zinc/71/98/34/585719834.db2.gz SHVYVWQNLBHGQG-UHFFFAOYSA-N -1 3 220.188 0.073 20 0 BCADHM O=C([N-]n1ccccc1=O)c1ccnc(F)c1 ZINC000777786248 585720043 /nfs/dbraw/zinc/72/00/43/585720043.db2.gz GYIORZBYNZDKQP-UHFFFAOYSA-N -1 3 233.202 0.766 20 0 BCADHM CCc1cnc(COC(=O)c2cnn[n-]2)o1 ZINC000805603979 585730000 /nfs/dbraw/zinc/73/00/00/585730000.db2.gz ZIQABBVLABXZEK-UHFFFAOYSA-N -1 3 222.204 0.712 20 0 BCADHM CCc1cnc(COC(=O)c2c[n-]nn2)o1 ZINC000805603979 585730001 /nfs/dbraw/zinc/73/00/01/585730001.db2.gz ZIQABBVLABXZEK-UHFFFAOYSA-N -1 3 222.204 0.712 20 0 BCADHM CCOc1cccc(COC(=O)c2cnn[n-]2)n1 ZINC000805604612 585730749 /nfs/dbraw/zinc/73/07/49/585730749.db2.gz CYKMIWTUYMJDCK-UHFFFAOYSA-N -1 3 248.242 0.955 20 0 BCADHM CCOc1cccc(COC(=O)c2c[n-]nn2)n1 ZINC000805604612 585730750 /nfs/dbraw/zinc/73/07/50/585730750.db2.gz CYKMIWTUYMJDCK-UHFFFAOYSA-N -1 3 248.242 0.955 20 0 BCADHM O=C(OCCCc1ccncc1)c1cnn[n-]1 ZINC000805604894 585731776 /nfs/dbraw/zinc/73/17/76/585731776.db2.gz CEKCLHLIJYUKJV-UHFFFAOYSA-N -1 3 232.243 0.989 20 0 BCADHM O=C(OCCCc1ccncc1)c1c[n-]nn1 ZINC000805604894 585731777 /nfs/dbraw/zinc/73/17/77/585731777.db2.gz CEKCLHLIJYUKJV-UHFFFAOYSA-N -1 3 232.243 0.989 20 0 BCADHM Cc1cnc(COC(=O)c2cnn[n-]2)cn1 ZINC000805605528 585731926 /nfs/dbraw/zinc/73/19/26/585731926.db2.gz NENCAMVKPCDIJT-UHFFFAOYSA-N -1 3 219.204 0.260 20 0 BCADHM Cc1cnc(COC(=O)c2c[n-]nn2)cn1 ZINC000805605528 585731927 /nfs/dbraw/zinc/73/19/27/585731927.db2.gz NENCAMVKPCDIJT-UHFFFAOYSA-N -1 3 219.204 0.260 20 0 BCADHM O=C(OCCN1CCCCC1)c1c[n-]nn1 ZINC000805605244 585732050 /nfs/dbraw/zinc/73/20/50/585732050.db2.gz HCRFMHRTZRMZMM-UHFFFAOYSA-N -1 3 224.264 0.447 20 0 BCADHM O=C(OCCN1CCCCC1)c1cnn[n-]1 ZINC000805605244 585732051 /nfs/dbraw/zinc/73/20/51/585732051.db2.gz HCRFMHRTZRMZMM-UHFFFAOYSA-N -1 3 224.264 0.447 20 0 BCADHM O=C(OCCN1CCCCC1)c1cn[n-]n1 ZINC000805605244 585732052 /nfs/dbraw/zinc/73/20/52/585732052.db2.gz HCRFMHRTZRMZMM-UHFFFAOYSA-N -1 3 224.264 0.447 20 0 BCADHM O=C(OCCOCC1CC1)c1cnn[n-]1 ZINC000805605961 585732744 /nfs/dbraw/zinc/73/27/44/585732744.db2.gz SASGHOIFYLBTRM-UHFFFAOYSA-N -1 3 211.221 0.388 20 0 BCADHM O=C(OCCOCC1CC1)c1c[n-]nn1 ZINC000805605961 585732745 /nfs/dbraw/zinc/73/27/45/585732745.db2.gz SASGHOIFYLBTRM-UHFFFAOYSA-N -1 3 211.221 0.388 20 0 BCADHM NC(=O)c1cccc(COC(=O)c2cnn[n-]2)c1 ZINC000805606609 585733262 /nfs/dbraw/zinc/73/32/62/585733262.db2.gz ZINAAPLOKOQGFG-UHFFFAOYSA-N -1 3 246.226 0.261 20 0 BCADHM NC(=O)c1cccc(COC(=O)c2c[n-]nn2)c1 ZINC000805606609 585733263 /nfs/dbraw/zinc/73/32/63/585733263.db2.gz ZINAAPLOKOQGFG-UHFFFAOYSA-N -1 3 246.226 0.261 20 0 BCADHM Cc1cc(C(=O)COC(=O)c2cnn[n-]2)c(C)[nH]1 ZINC000805606770 585733911 /nfs/dbraw/zinc/73/39/11/585733911.db2.gz MTNARCUWFRZVLA-UHFFFAOYSA-N -1 3 248.242 0.789 20 0 BCADHM Cc1cc(C(=O)COC(=O)c2c[n-]nn2)c(C)[nH]1 ZINC000805606770 585733912 /nfs/dbraw/zinc/73/39/12/585733912.db2.gz MTNARCUWFRZVLA-UHFFFAOYSA-N -1 3 248.242 0.789 20 0 BCADHM Cn1nnnc1[N-]C(=O)Cc1ccsc1 ZINC000779467693 585755460 /nfs/dbraw/zinc/75/54/60/585755460.db2.gz TXBNYVCRWKGMCI-UHFFFAOYSA-N -1 3 223.261 0.453 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCc1ccsc1 ZINC000779466142 585755462 /nfs/dbraw/zinc/75/54/62/585755462.db2.gz OBZOUHWCJJPEEM-UHFFFAOYSA-N -1 3 237.288 0.843 20 0 BCADHM Cn1nnnc1[N-]C(=O)Cc1ccccc1F ZINC000779466747 585755526 /nfs/dbraw/zinc/75/55/26/585755526.db2.gz HRMSTDNICVCZNV-UHFFFAOYSA-N -1 3 235.222 0.530 20 0 BCADHM Cn1nnnc1[N-]C(=O)/C=C/c1ccsc1 ZINC000779467107 585755585 /nfs/dbraw/zinc/75/55/85/585755585.db2.gz MXQMYIQYZGKVLE-NSCUHMNNSA-N -1 3 235.272 0.924 20 0 BCADHM Cn1nnnc1[N-]C(=O)/C=C\c1ccccc1 ZINC000779466967 585755626 /nfs/dbraw/zinc/75/56/26/585755626.db2.gz XEDLYNQCCFFXKW-FPLPWBNLSA-N -1 3 229.243 0.862 20 0 BCADHM O=C(C=Cc1cncc([O-])c1)NCc1nc[nH]n1 ZINC000779659620 585758342 /nfs/dbraw/zinc/75/83/42/585758342.db2.gz ZLDVQJLTECCEQS-UPHRSURJSA-N -1 3 245.242 0.235 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N[C@H](CO)C1CC1 ZINC000779679222 585758556 /nfs/dbraw/zinc/75/85/56/585758556.db2.gz XFJFVZDMBFVRIA-FXZDBVEHSA-N -1 3 248.282 0.688 20 0 BCADHM C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)C[C@@H]1O ZINC000779678826 585758619 /nfs/dbraw/zinc/75/86/19/585758619.db2.gz FXEXWPDFFCFADA-UTFRODGCSA-N -1 3 248.282 0.640 20 0 BCADHM COC(=O)CCCCC(=O)[N-]C1=NCCS1 ZINC000779723591 585759956 /nfs/dbraw/zinc/75/99/56/585759956.db2.gz JOPZEJFIUJVKRU-UHFFFAOYSA-N -1 3 244.316 0.939 20 0 BCADHM CC[C@H](CO)C(=O)Nc1ncccc1[O-] ZINC000779835939 585768247 /nfs/dbraw/zinc/76/82/47/585768247.db2.gz WFHFVUOZUZBLPZ-SSDOTTSWSA-N -1 3 210.233 0.744 20 0 BCADHM CCOCCO[N-]C(=O)CCCCC(N)=O ZINC000779844645 585769029 /nfs/dbraw/zinc/76/90/29/585769029.db2.gz MJHHXRAWXMGJKJ-UHFFFAOYSA-N -1 3 232.280 0.116 20 0 BCADHM O=C(O[C@H]1CCNC1=O)c1ccc([O-])cc1O ZINC000780058490 585772052 /nfs/dbraw/zinc/77/20/52/585772052.db2.gz FACZKYQUUFPFJK-VIFPVBQESA-N -1 3 237.211 0.143 20 0 BCADHM Cc1cnc(C(=O)[N-]N2CCCC2=O)c(C)c1 ZINC000780706430 585783698 /nfs/dbraw/zinc/78/36/98/585783698.db2.gz QFGMJOOUXVMGBR-UHFFFAOYSA-N -1 3 233.271 0.966 20 0 BCADHM Cc1cnc(C(=O)[N-]N2CCCNC2=O)c(C)c1 ZINC000783602755 585837945 /nfs/dbraw/zinc/83/79/45/585837945.db2.gz IAHZNVUDEVUNHD-UHFFFAOYSA-N -1 3 248.286 0.759 20 0 BCADHM Cc1cc(C(=O)[N-]N2CCCNC2=O)c(C)nn1 ZINC000783604377 585838231 /nfs/dbraw/zinc/83/82/31/585838231.db2.gz OEUPDPXWXYPKGU-UHFFFAOYSA-N -1 3 249.274 0.154 20 0 BCADHM C[C@@H]1CN(C)C(=O)CN1C(=O)c1cccc([O-])c1 ZINC000783762779 585842606 /nfs/dbraw/zinc/84/26/06/585842606.db2.gz UTFGNFDXEYAWJF-SECBINFHSA-N -1 3 248.282 0.695 20 0 BCADHM C[C@@H]1C[C@H](C(=O)[N-]C2=NCCS2)CO1 ZINC000784041163 585847822 /nfs/dbraw/zinc/84/78/22/585847822.db2.gz YDTJXWGWDGLYKY-RQJHMYQMSA-N -1 3 214.290 0.630 20 0 BCADHM COCCONC(=O)c1ccc([O-])c(OC)c1 ZINC000785415362 585873014 /nfs/dbraw/zinc/87/30/14/585873014.db2.gz VRGJODSVKTWWFY-UHFFFAOYSA-N -1 3 241.243 0.709 20 0 BCADHM Cn1nnnc1COC(=O)c1cc2occc2[n-]1 ZINC000786031775 585885589 /nfs/dbraw/zinc/88/55/89/585885589.db2.gz QFCVCXCNHWUKGC-UHFFFAOYSA-N -1 3 247.214 0.641 20 0 BCADHM Cn1ncc(C(=O)Nc2cc(F)ccc2[O-])n1 ZINC000786464340 585891957 /nfs/dbraw/zinc/89/19/57/585891957.db2.gz AKRHMNJLMIWFAG-UHFFFAOYSA-N -1 3 236.206 0.912 20 0 BCADHM CCc1onc(C)c1[N-]C(=O)c1cnn(C)n1 ZINC000786468846 585892137 /nfs/dbraw/zinc/89/21/37/585892137.db2.gz VACCLKGEKWNOSF-UHFFFAOYSA-N -1 3 235.247 0.926 20 0 BCADHM C[C@@H]1CC[C@@H](CC(=O)[N-]OCCO)C1 ZINC000787290111 585905374 /nfs/dbraw/zinc/90/53/74/585905374.db2.gz BXQLRANQTPTFQB-RKDXNWHRSA-N -1 3 201.266 0.853 20 0 BCADHM O=C(Cc1ccc(F)cc1F)[N-]OCCO ZINC000787293512 585905589 /nfs/dbraw/zinc/90/55/89/585905589.db2.gz YUIZDZARBNPPMQ-UHFFFAOYSA-N -1 3 231.198 0.547 20 0 BCADHM Cc1noc(C)c1CCC(=O)[N-]OCCO ZINC000787294770 585905763 /nfs/dbraw/zinc/90/57/63/585905763.db2.gz DDLUNQIEURQPAO-UHFFFAOYSA-N -1 3 228.248 0.264 20 0 BCADHM O=C(/C=C\c1cccs1)[N-]OCCO ZINC000787295039 585905772 /nfs/dbraw/zinc/90/57/72/585905772.db2.gz VCSRHYPVHDTSBR-ARJAWSKDSA-N -1 3 213.258 0.801 20 0 BCADHM CC[C@H]1C[C@@H](CC(=O)[N-]OCCO)CCO1 ZINC000787296125 585905831 /nfs/dbraw/zinc/90/58/31/585905831.db2.gz UWAJHJZSVJOESK-UWVGGRQHSA-N -1 3 231.292 0.622 20 0 BCADHM CC(=O)[C@@H]1C[C@H](CC(=O)[N-]OCCO)C1(C)C ZINC000787294241 585905838 /nfs/dbraw/zinc/90/58/38/585905838.db2.gz TVUATHAEMPOWQJ-ZJUUUORDSA-N -1 3 243.303 0.668 20 0 BCADHM O=C(CC1CCSCC1)[N-]OCCO ZINC000787294839 585905953 /nfs/dbraw/zinc/90/59/53/585905953.db2.gz VMRYGJQZCMHBLE-UHFFFAOYSA-N -1 3 219.306 0.560 20 0 BCADHM Cc1noc(Cl)c1CCC(=O)[N-]OCCO ZINC000787294663 585905976 /nfs/dbraw/zinc/90/59/76/585905976.db2.gz XHEFTNDPRSZZPM-UHFFFAOYSA-N -1 3 248.666 0.609 20 0 BCADHM O=C(CCSc1ccccn1)[N-]OCCO ZINC000787297566 585906034 /nfs/dbraw/zinc/90/60/34/585906034.db2.gz WSGGWFWHYFUXKQ-UHFFFAOYSA-N -1 3 242.300 0.604 20 0 BCADHM CCC[C@@H]([N-]C(=O)C(F)F)C(=O)OC ZINC000787495837 585910324 /nfs/dbraw/zinc/91/03/24/585910324.db2.gz YHXSWBHBOXOBJH-RXMQYKEDSA-N -1 3 209.192 0.709 20 0 BCADHM NC(=O)CCCC(=O)[N-]OC1CCCC1 ZINC000787495016 585910410 /nfs/dbraw/zinc/91/04/10/585910410.db2.gz SWQQUHGERTXKTK-UHFFFAOYSA-N -1 3 214.265 0.632 20 0 BCADHM CC[C@]([N-]C(=O)C(F)F)(C(N)=O)C(C)C ZINC000787510678 585910702 /nfs/dbraw/zinc/91/07/02/585910702.db2.gz JGFKRIPYEVBOQF-SECBINFHSA-N -1 3 222.235 0.658 20 0 BCADHM COC(=O)C[C@]1([N-]C(=O)C(F)F)CCOC1 ZINC000787532100 585911002 /nfs/dbraw/zinc/91/10/02/585911002.db2.gz ZVKQCEWICRZPHS-SECBINFHSA-N -1 3 237.202 0.090 20 0 BCADHM COC(=O)C[C@@]1([N-]C(=O)C(F)F)CCOC1 ZINC000787532102 585911052 /nfs/dbraw/zinc/91/10/52/585911052.db2.gz ZVKQCEWICRZPHS-VIFPVBQESA-N -1 3 237.202 0.090 20 0 BCADHM CC(C)(O)CCC(=O)[N-]OC1CCOCC1 ZINC000787533892 585911413 /nfs/dbraw/zinc/91/14/13/585911413.db2.gz NUEZYUSPOHGCNH-UHFFFAOYSA-N -1 3 231.292 0.764 20 0 BCADHM CC(C)(O)CCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000787575411 585912218 /nfs/dbraw/zinc/91/22/18/585912218.db2.gz YJHFTCLPMDWXLU-SECBINFHSA-N -1 3 231.292 0.622 20 0 BCADHM O=C([N-]C1(CNC(=O)C(F)F)CC1)C(F)F ZINC000787588260 585912338 /nfs/dbraw/zinc/91/23/38/585912338.db2.gz VHHDUDGBEQBNCV-UHFFFAOYSA-N -1 3 242.172 0.282 20 0 BCADHM CCOCCCC(=O)[N-]OCC(C)(C)O ZINC000788220483 585919550 /nfs/dbraw/zinc/91/95/50/585919550.db2.gz XKUJCHIXEZPQCV-UHFFFAOYSA-N -1 3 219.281 0.622 20 0 BCADHM CCOCCC(=O)[N-]OCC(C)(C)O ZINC000788220491 585919735 /nfs/dbraw/zinc/91/97/35/585919735.db2.gz XXCPECARSYHFRK-UHFFFAOYSA-N -1 3 205.254 0.232 20 0 BCADHM COCCOCCC(=O)[N-]OC[C@H]1CCOC1 ZINC000788269666 585919922 /nfs/dbraw/zinc/91/99/22/585919922.db2.gz CUTWUPBAGWYLRA-JTQLQIEISA-N -1 3 247.291 0.124 20 0 BCADHM O=C(Cc1cccnc1)[N-]OC[C@H]1CCOC1 ZINC000788270206 585920372 /nfs/dbraw/zinc/92/03/72/585920372.db2.gz GASUQPNHEBXDNR-NSHDSACASA-N -1 3 236.271 0.708 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]OC[C@H]1CCOC1 ZINC000788272582 585920540 /nfs/dbraw/zinc/92/05/40/585920540.db2.gz CIUGEJKQDVDYAH-VHSXEESVSA-N -1 3 228.292 0.165 20 0 BCADHM O=C(CCOCC1CC1)[N-]OC[C@@H]1CCOC1 ZINC000788272524 585920704 /nfs/dbraw/zinc/92/07/04/585920704.db2.gz BEJZGOFAPFPHFL-LLVKDONJSA-N -1 3 243.303 0.887 20 0 BCADHM O=C([N-]O[C@H]1CCCCO1)c1cccc(=O)[nH]1 ZINC000788296364 585921313 /nfs/dbraw/zinc/92/13/13/585921313.db2.gz LZXNJRQMMGVYKP-JTQLQIEISA-N -1 3 238.243 0.975 20 0 BCADHM CN(C)C1(C(=O)[N-]OC[C@@H]2CCOC2)CCC1 ZINC000788571313 585927083 /nfs/dbraw/zinc/92/70/83/585927083.db2.gz PGVYOFBJKNQDCB-SNVBAGLBSA-N -1 3 242.319 0.555 20 0 BCADHM CN1CCCC[C@@H]1C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788574467 585927203 /nfs/dbraw/zinc/92/72/03/585927203.db2.gz LUQKAPRGLOLCCO-GHMZBOCLSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@](O)(CC(=O)[N-]OC[C@H]1CCOC1)C1CC1 ZINC000788570932 585927355 /nfs/dbraw/zinc/92/73/55/585927355.db2.gz BGMGGKSKQXGXPZ-CABZTGNLSA-N -1 3 243.303 0.622 20 0 BCADHM CCOC1CC(CC(=O)[N-]OCCO)C1 ZINC000789851862 585951883 /nfs/dbraw/zinc/95/18/83/585951883.db2.gz YIVGGHGAWOQQHO-UHFFFAOYSA-N -1 3 217.265 0.232 20 0 BCADHM Cc1nonc1C(=O)[N-]c1cnns1 ZINC000789910311 585952806 /nfs/dbraw/zinc/95/28/06/585952806.db2.gz GXFZXEZFVOUDBM-UHFFFAOYSA-N -1 3 211.206 0.482 20 0 BCADHM O=C(CCc1c[nH]cn1)[N-]OCc1cccnc1 ZINC000789995103 585955790 /nfs/dbraw/zinc/95/57/90/585955790.db2.gz URTPBQCOERTZFZ-UHFFFAOYSA-N -1 3 246.270 0.985 20 0 BCADHM O=C(CCc1cnc[nH]1)[N-]OCc1cccnc1 ZINC000789995103 585955791 /nfs/dbraw/zinc/95/57/91/585955791.db2.gz URTPBQCOERTZFZ-UHFFFAOYSA-N -1 3 246.270 0.985 20 0 BCADHM Cc1n[n-]nc1C(=O)Nc1nc2cc[nH]cc-2n1 ZINC000790004327 585955940 /nfs/dbraw/zinc/95/59/40/585955940.db2.gz BGBUNXUBXZJIAO-UHFFFAOYSA-N -1 3 243.230 0.637 20 0 BCADHM CO[N-]C(=O)Cc1ccc2c[nH]nc2c1 ZINC000790070355 585957346 /nfs/dbraw/zinc/95/73/46/585957346.db2.gz OGDUVWWCGJPTGY-UHFFFAOYSA-N -1 3 205.217 0.783 20 0 BCADHM COC(=O)COC(=O)c1cccc2nn[n-]c21 ZINC000790074035 585957713 /nfs/dbraw/zinc/95/77/13/585957713.db2.gz DHLYFYMCBKOLQZ-UHFFFAOYSA-N -1 3 235.199 0.288 20 0 BCADHM COC(=O)COC(=O)c1cccc2[n-]nnc21 ZINC000790074035 585957714 /nfs/dbraw/zinc/95/77/14/585957714.db2.gz DHLYFYMCBKOLQZ-UHFFFAOYSA-N -1 3 235.199 0.288 20 0 BCADHM COC(=O)COC(=O)c1cccc2n[n-]nc21 ZINC000790074035 585957715 /nfs/dbraw/zinc/95/77/15/585957715.db2.gz DHLYFYMCBKOLQZ-UHFFFAOYSA-N -1 3 235.199 0.288 20 0 BCADHM Cc1cccnc1NC([O-])=NOCCO ZINC000790576268 585966470 /nfs/dbraw/zinc/96/64/70/585966470.db2.gz GVPLHYOYRCMCEM-UHFFFAOYSA-N -1 3 211.221 0.435 20 0 BCADHM Cc1cccnc1NC(=O)[N-]OCCO ZINC000790576268 585966471 /nfs/dbraw/zinc/96/64/71/585966471.db2.gz GVPLHYOYRCMCEM-UHFFFAOYSA-N -1 3 211.221 0.435 20 0 BCADHM Cc1[nH]nc(NC(=O)c2nc[n-]n2)c1Cl ZINC000790977592 585971591 /nfs/dbraw/zinc/97/15/91/585971591.db2.gz HHTHSCUAAXKPNG-UHFFFAOYSA-N -1 3 226.627 0.742 20 0 BCADHM CC1CCN(CC(=O)[N-]OCC(C)(C)O)CC1 ZINC000791263298 585975740 /nfs/dbraw/zinc/97/57/40/585975740.db2.gz VKZUFHQPYDFWOZ-UHFFFAOYSA-N -1 3 244.335 0.537 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C[C@@H]1CCCO1 ZINC000791264472 585975745 /nfs/dbraw/zinc/97/57/45/585975745.db2.gz RGSWKKYFIAMHRM-QMMMGPOBSA-N -1 3 217.265 0.374 20 0 BCADHM Cc1noc(C2CC2)c1NC([O-])=NOCCO ZINC000792363200 586000134 /nfs/dbraw/zinc/00/01/34/586000134.db2.gz PFXQFDDNQSVWIA-UHFFFAOYSA-N -1 3 241.247 0.906 20 0 BCADHM Cc1noc(C2CC2)c1NC(=O)[N-]OCCO ZINC000792363200 586000135 /nfs/dbraw/zinc/00/01/35/586000135.db2.gz PFXQFDDNQSVWIA-UHFFFAOYSA-N -1 3 241.247 0.906 20 0 BCADHM COc1cccc(NC([O-])=NOCCO)c1F ZINC000792374521 586000194 /nfs/dbraw/zinc/00/01/94/586000194.db2.gz WTQFJUNNLDYCLR-UHFFFAOYSA-N -1 3 244.222 0.880 20 0 BCADHM COc1cccc(NC(=O)[N-]OCCO)c1F ZINC000792374521 586000195 /nfs/dbraw/zinc/00/01/95/586000195.db2.gz WTQFJUNNLDYCLR-UHFFFAOYSA-N -1 3 244.222 0.880 20 0 BCADHM NC(=O)C[N-]C(=O)C(F)(F)Cc1ccccc1 ZINC000792961843 586007634 /nfs/dbraw/zinc/00/76/34/586007634.db2.gz YWHYSPSKPFSKQR-UHFFFAOYSA-N -1 3 242.225 0.466 20 0 BCADHM COCCO[N-]C(=O)Cc1ccc2n[nH]cc2c1 ZINC000793617694 586024281 /nfs/dbraw/zinc/02/42/81/586024281.db2.gz HSQUDDNLRPMZKE-UHFFFAOYSA-N -1 3 249.270 0.800 20 0 BCADHM CC[C@@H](C)CC[C@H](O)CC(=O)[N-]OCC(N)=O ZINC000793773204 586026314 /nfs/dbraw/zinc/02/63/14/586026314.db2.gz LPFNIAHLMACPHN-BDAKNGLRSA-N -1 3 246.307 0.097 20 0 BCADHM CCC[C@@](C)(CC)C(=O)[N-]OCC(N)=O ZINC000793772553 586026360 /nfs/dbraw/zinc/02/63/60/586026360.db2.gz IBVJHFDEYFDLOJ-SNVBAGLBSA-N -1 3 216.281 0.736 20 0 BCADHM CN(C)c1noc(C[N-]C(=O)C(F)F)n1 ZINC000793852449 586027683 /nfs/dbraw/zinc/02/76/83/586027683.db2.gz QSXOFBBHKFWPIM-UHFFFAOYSA-N -1 3 220.179 0.017 20 0 BCADHM O=C(Cc1ccc2n[nH]cc2c1)[N-]OCCO ZINC000793856462 586028043 /nfs/dbraw/zinc/02/80/43/586028043.db2.gz QDLTZIRMZPUOTG-UHFFFAOYSA-N -1 3 235.243 0.146 20 0 BCADHM CCOCCO[N-]C(=O)Cc1cnn(C)c1C ZINC000794433858 586039501 /nfs/dbraw/zinc/03/95/01/586039501.db2.gz MELGGWACWFYSAB-UHFFFAOYSA-N -1 3 241.291 0.355 20 0 BCADHM COCC(=O)COC(=O)c1ccc([O-])cc1O ZINC000795356934 586076203 /nfs/dbraw/zinc/07/62/03/586076203.db2.gz TWPXWMDJFLHDBO-UHFFFAOYSA-N -1 3 240.211 0.470 20 0 BCADHM Cn1cc([C@H](CO)[N-]C(=O)C(C)(F)F)cn1 ZINC000808464821 586091499 /nfs/dbraw/zinc/09/14/99/586091499.db2.gz CXIXJKDXGBBDCZ-ZETCQYMHSA-N -1 3 233.218 0.225 20 0 BCADHM CC(C)n1ccc(NC([O-])=NOCC(N)=O)n1 ZINC000797681818 586130215 /nfs/dbraw/zinc/13/02/15/586130215.db2.gz ZDBDGWMFKIYGOE-UHFFFAOYSA-N -1 3 241.251 0.002 20 0 BCADHM CC(C)n1ccc(NC(=O)[N-]OCC(N)=O)n1 ZINC000797681818 586130216 /nfs/dbraw/zinc/13/02/16/586130216.db2.gz ZDBDGWMFKIYGOE-UHFFFAOYSA-N -1 3 241.251 0.002 20 0 BCADHM O=C1[N-]C(=O)/C(=C/NCCF)c2ccccc21 ZINC000797785680 586131343 /nfs/dbraw/zinc/13/13/43/586131343.db2.gz PDGJQZNIEPHWPC-JXMROGBWSA-N -1 3 234.230 0.857 20 0 BCADHM O=S(=O)([N-]CC1OCCCO1)c1ccco1 ZINC000798221994 586141207 /nfs/dbraw/zinc/14/12/07/586141207.db2.gz ISJLQTMZDLXZEX-UHFFFAOYSA-N -1 3 247.272 0.321 20 0 BCADHM C[C@@H]1C[C@@H]1COC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000859475779 589039841 /nfs/dbraw/zinc/03/98/41/589039841.db2.gz OHRSFWKGNBTNFD-BWZBUEFSSA-N -1 3 240.259 0.174 20 0 BCADHM CC[C@@H](C)CCC(=O)[N-]OCC(N)=O ZINC000803006050 586331169 /nfs/dbraw/zinc/33/11/69/586331169.db2.gz SRWRCGPGWRBEFV-SSDOTTSWSA-N -1 3 202.254 0.346 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1ncccn1 ZINC000803530458 586365181 /nfs/dbraw/zinc/36/51/81/586365181.db2.gz MAFGVVJJLYWKBN-UHFFFAOYSA-N -1 3 218.220 0.340 20 0 BCADHM COc1cnc(NC([O-])=NOCCO)s1 ZINC000806514182 586413429 /nfs/dbraw/zinc/41/34/29/586413429.db2.gz TZTYDXUGDCBGST-UHFFFAOYSA-N -1 3 233.249 0.197 20 0 BCADHM COc1cnc(NC(=O)[N-]OCCO)s1 ZINC000806514182 586413430 /nfs/dbraw/zinc/41/34/30/586413430.db2.gz TZTYDXUGDCBGST-UHFFFAOYSA-N -1 3 233.249 0.197 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CC(C)C ZINC000806570464 586414466 /nfs/dbraw/zinc/41/44/66/586414466.db2.gz AGCYDSUZKMGNDU-SSDOTTSWSA-N -1 3 220.294 0.050 20 0 BCADHM Cn1nc(C(=O)[O-])cc1CNC1(C)CC1 ZINC000757179508 586433723 /nfs/dbraw/zinc/43/37/23/586433723.db2.gz IKDWEHGLOZOPPI-UHFFFAOYSA-N -1 3 209.249 0.760 20 0 BCADHM COCCCO[N-]C(=O)CCCC(=O)OC ZINC000807771796 586448939 /nfs/dbraw/zinc/44/89/39/586448939.db2.gz FYLSGZXXUYSSSL-UHFFFAOYSA-N -1 3 233.264 0.414 20 0 BCADHM CC(C)OCC(=O)[N-]OC1CCN(C)CC1 ZINC000808024599 586459203 /nfs/dbraw/zinc/45/92/03/586459203.db2.gz MNDSOBAYESTHSF-UHFFFAOYSA-N -1 3 230.308 0.553 20 0 BCADHM CN1CCC[C@@H]([N-]C(=O)C(C)(F)F)C1=O ZINC000808464595 586474363 /nfs/dbraw/zinc/47/43/63/586474363.db2.gz SXDLGZOAUGIRPH-ZCFIWIBFSA-N -1 3 220.219 0.379 20 0 BCADHM CN(C)c1nccc(C[N-]C(=O)C(C)(F)F)n1 ZINC000808465780 586474576 /nfs/dbraw/zinc/47/45/76/586474576.db2.gz JHFSBOHNWXXDND-UHFFFAOYSA-N -1 3 244.245 0.814 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1cccnn1 ZINC000808468505 586475086 /nfs/dbraw/zinc/47/50/86/586475086.db2.gz PHTDJKBRQOQLMY-UHFFFAOYSA-N -1 3 201.176 0.748 20 0 BCADHM C[C@H]([N-]C(=O)C(C)(F)F)C(=O)N1CCCC1 ZINC000808469055 586475502 /nfs/dbraw/zinc/47/55/02/586475502.db2.gz ITQCBXBZVGDQDB-ZETCQYMHSA-N -1 3 234.246 0.769 20 0 BCADHM COc1cncc(COC(=O)c2cnn[n-]2)c1 ZINC000808550642 586479232 /nfs/dbraw/zinc/47/92/32/586479232.db2.gz QDNYNYLMWBHCST-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM COc1cncc(COC(=O)c2c[n-]nn2)c1 ZINC000808550642 586479234 /nfs/dbraw/zinc/47/92/34/586479234.db2.gz QDNYNYLMWBHCST-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM COC(=O)C[C@@H](C)CC(=O)[N-]OCC(F)F ZINC000809765250 586518257 /nfs/dbraw/zinc/51/82/57/586518257.db2.gz MYPIHGOMGAJQHR-LURJTMIESA-N -1 3 239.218 0.889 20 0 BCADHM C[C@@]1([N-]S(=O)(=O)CCC2CC2)CCOC1=O ZINC000810102249 586534147 /nfs/dbraw/zinc/53/41/47/586534147.db2.gz GYYYJHZUDCIWQG-SNVBAGLBSA-N -1 3 247.316 0.412 20 0 BCADHM CC(C)CS(=O)(=O)[N-][C@@]1(C)CCOC1=O ZINC000810103296 586534320 /nfs/dbraw/zinc/53/43/20/586534320.db2.gz OWPNYRWXXVYLGX-VIFPVBQESA-N -1 3 235.305 0.267 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCC1CC1 ZINC000840207202 586545529 /nfs/dbraw/zinc/54/55/29/586545529.db2.gz LKKZBGMFRLIQOP-ZETCQYMHSA-N -1 3 232.305 0.194 20 0 BCADHM CC[C@H](C(=O)[N-]OCCCC(=O)OC)N(C)C ZINC000811559268 586561130 /nfs/dbraw/zinc/56/11/30/586561130.db2.gz YYLSJSIVIWHZRZ-SECBINFHSA-N -1 3 246.307 0.328 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C[C@@H](C)OC ZINC000811561594 586561209 /nfs/dbraw/zinc/56/12/09/586561209.db2.gz WEDFDPWKRKPGAC-MRVPVSSYSA-N -1 3 233.264 0.412 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C[C@@H]1CCCO1 ZINC000811561289 586561262 /nfs/dbraw/zinc/56/12/62/586561262.db2.gz PJBBTHFNMRDNGG-VIFPVBQESA-N -1 3 245.275 0.557 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CC[C@H](C)OC ZINC000811562118 586561515 /nfs/dbraw/zinc/56/15/15/586561515.db2.gz JJWLHIISTCAOGU-VIFPVBQESA-N -1 3 247.291 0.803 20 0 BCADHM Cc1n[n-]nc1C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000811610082 586562130 /nfs/dbraw/zinc/56/21/30/586562130.db2.gz BGBVXWYJFNAGFC-UHFFFAOYSA-N -1 3 246.274 0.976 20 0 BCADHM CC(C)OCCO[N-]C(=O)Nc1ccncc1 ZINC000812316082 586573198 /nfs/dbraw/zinc/57/31/98/586573198.db2.gz NJRGYGHKRQYPMU-UHFFFAOYSA-N -1 3 239.275 0.982 20 0 BCADHM NC(=O)CCCCC(=O)[N-]OC/C=C/Cl ZINC000812404675 586576219 /nfs/dbraw/zinc/57/62/19/586576219.db2.gz ILTQLZJAUJZZGV-ZZXKWVIFSA-N -1 3 234.683 0.832 20 0 BCADHM O=C([N-]OC1CCC1)[C@@H]1CCC(=O)NC1 ZINC000812795193 586586201 /nfs/dbraw/zinc/58/62/01/586586201.db2.gz XNEKLJAAAPEWCU-SSDOTTSWSA-N -1 3 212.249 0.113 20 0 BCADHM CC(C)OCCON=C([O-])Nc1cnn(C)c1 ZINC000812917232 586588923 /nfs/dbraw/zinc/58/89/23/586588923.db2.gz QOIQTQNHADOMEY-UHFFFAOYSA-N -1 3 242.279 0.898 20 0 BCADHM CC(C)OCCO[N-]C(=O)Nc1cnn(C)c1 ZINC000812917232 586588924 /nfs/dbraw/zinc/58/89/24/586588924.db2.gz QOIQTQNHADOMEY-UHFFFAOYSA-N -1 3 242.279 0.898 20 0 BCADHM Cc1nonc1[N-]C(=O)c1cc2n(n1)CCO2 ZINC000812958483 586589145 /nfs/dbraw/zinc/58/91/45/586589145.db2.gz HGYVTDHRNFNFLW-UHFFFAOYSA-N -1 3 235.203 0.219 20 0 BCADHM Cn1cc(NC([O-])=NOC2CCCC2)nn1 ZINC000813008650 586589526 /nfs/dbraw/zinc/58/95/26/586589526.db2.gz PNDAHWKLQJTIDH-UHFFFAOYSA-N -1 3 225.252 0.811 20 0 BCADHM Cn1cc(NC(=O)[N-]OC2CCCC2)nn1 ZINC000813008650 586589527 /nfs/dbraw/zinc/58/95/27/586589527.db2.gz PNDAHWKLQJTIDH-UHFFFAOYSA-N -1 3 225.252 0.811 20 0 BCADHM CC(C)(C)C[C@@H](O)CC(=O)[N-]OCCO ZINC000813525562 586603037 /nfs/dbraw/zinc/60/30/37/586603037.db2.gz WAQULLWUPHDAJY-QMMMGPOBSA-N -1 3 219.281 0.214 20 0 BCADHM O=C([N-]OCCC1CC1)c1cnns1 ZINC000814308274 586621108 /nfs/dbraw/zinc/62/11/08/586621108.db2.gz IXNMTBIZMRZURW-UHFFFAOYSA-N -1 3 213.262 1.000 20 0 BCADHM COC(=O)c1cc(C(=O)OCC(C)=O)c[n-]1 ZINC000814529305 586623635 /nfs/dbraw/zinc/62/36/35/586623635.db2.gz YLVBYSHBCJPBDB-UHFFFAOYSA-N -1 3 225.200 0.547 20 0 BCADHM COC(=O)c1cc(C(=O)OC[C@@H](C)CO)c[n-]1 ZINC000814528431 586623738 /nfs/dbraw/zinc/62/37/38/586623738.db2.gz PNYYITXFVZBISO-ZETCQYMHSA-N -1 3 241.243 0.587 20 0 BCADHM COCCCOC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814530137 586623750 /nfs/dbraw/zinc/62/37/50/586623750.db2.gz HLFDNDUROGMAJS-UHFFFAOYSA-N -1 3 241.243 0.995 20 0 BCADHM COC(=O)c1cc(C(=O)OCCF)c[n-]1 ZINC000814531642 586623839 /nfs/dbraw/zinc/62/38/39/586623839.db2.gz TXIGGKHJSUFZFI-UHFFFAOYSA-N -1 3 215.180 0.928 20 0 BCADHM CC(C)N(C)S(=O)(=O)[N-]CC(C)(F)F ZINC000815066938 586665301 /nfs/dbraw/zinc/66/53/01/586665301.db2.gz KHMBLNIKUQVHDC-UHFFFAOYSA-N -1 3 230.280 0.816 20 0 BCADHM COC(=O)c1cc(C(=O)N(C)c2cn[nH]c2)c[n-]1 ZINC000815738247 586692925 /nfs/dbraw/zinc/69/29/25/586692925.db2.gz OLJMBCKSCBKKMT-UHFFFAOYSA-N -1 3 248.242 0.801 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCC1CC1 ZINC000816383173 586722655 /nfs/dbraw/zinc/72/26/55/586722655.db2.gz KITCJESTNMYCRA-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC000816831249 586766837 /nfs/dbraw/zinc/76/68/37/586766837.db2.gz LWMDPLWZJPYFLV-SECBINFHSA-N -1 3 223.276 0.822 20 0 BCADHM CC1(C)CN(CC(=O)[N-]C2=NCCS2)C1 ZINC000816843912 586767509 /nfs/dbraw/zinc/76/75/09/586767509.db2.gz HKVIMVKAFQJULV-UHFFFAOYSA-N -1 3 227.333 0.547 20 0 BCADHM O=C(C[C@@H]1CCC(=O)N1)[N-]O[C@@H]1CCCCO1 ZINC000816913210 586771309 /nfs/dbraw/zinc/77/13/09/586771309.db2.gz BTNYABTVHGBWBX-GZMMTYOYSA-N -1 3 242.275 0.230 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)[C@H]1CCNC(=O)C1 ZINC000816979323 586777426 /nfs/dbraw/zinc/77/74/26/586777426.db2.gz MOTJUQCOSFEYLN-BDAKNGLRSA-N -1 3 228.292 0.607 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@H]1CCNC(=O)C1 ZINC000816979325 586777538 /nfs/dbraw/zinc/77/75/38/586777538.db2.gz MOTJUQCOSFEYLN-IUCAKERBSA-N -1 3 228.292 0.607 20 0 BCADHM Cc1nc([N-]C(=O)c2ncccn2)nn1C ZINC000817018955 586779244 /nfs/dbraw/zinc/77/92/44/586779244.db2.gz HTFMEBDWAGGYPR-UHFFFAOYSA-N -1 3 218.220 0.166 20 0 BCADHM Cn1cnc([N-]C(=O)c2occ3c2CCOC3)n1 ZINC000817149958 586784246 /nfs/dbraw/zinc/78/42/46/586784246.db2.gz SIOAGJRKDRDCKB-UHFFFAOYSA-N -1 3 248.242 0.733 20 0 BCADHM O=C([N-]OCC1CC1)[C@H]1CCn2ccnc2C1 ZINC000817329821 586795312 /nfs/dbraw/zinc/79/53/12/586795312.db2.gz DYVQCJIHPMLNSV-JTQLQIEISA-N -1 3 235.287 0.903 20 0 BCADHM CN1CCCC[C@@H]1C(=O)[N-]OCC1CC1 ZINC000817330849 586795860 /nfs/dbraw/zinc/79/58/60/586795860.db2.gz RJSPXAGMVDPWIM-SNVBAGLBSA-N -1 3 212.293 0.929 20 0 BCADHM CC(=O)N1CCC[C@@H](C(=O)[N-]OCC2CC2)C1 ZINC000817334961 586796959 /nfs/dbraw/zinc/79/69/59/586796959.db2.gz UQJGBTQWKAQLEN-LLVKDONJSA-N -1 3 240.303 0.703 20 0 BCADHM C[C@@H](CS(C)(=O)=O)C(=O)[N-]OCC1CC1 ZINC000817358448 586798964 /nfs/dbraw/zinc/79/89/64/586798964.db2.gz RLBGZFNOPRRALS-ZETCQYMHSA-N -1 3 235.305 0.125 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]OCCC1CC1 ZINC000817403360 586800424 /nfs/dbraw/zinc/80/04/24/586800424.db2.gz FTKBRVGUGPLSOI-SNVBAGLBSA-N -1 3 212.293 0.929 20 0 BCADHM CCNC(=O)CCC(=O)[N-]OCCC1CC1 ZINC000817429667 586804571 /nfs/dbraw/zinc/80/45/71/586804571.db2.gz AIIZHOOLKZZSSF-UHFFFAOYSA-N -1 3 228.292 0.751 20 0 BCADHM Cn1cc(C(=O)[N-]OCCC2CC2)ccc1=O ZINC000817436919 586805483 /nfs/dbraw/zinc/80/54/83/586805483.db2.gz DRIIYGRWECCLSK-UHFFFAOYSA-N -1 3 236.271 0.847 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@@]1(C)CC1(F)F ZINC000817608111 586813859 /nfs/dbraw/zinc/81/38/59/586813859.db2.gz IQJXUKGPTGCJLT-MRVPVSSYSA-N -1 3 222.235 0.641 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)C(=O)C1(N(C)C)CCC1 ZINC000817743939 586824774 /nfs/dbraw/zinc/82/47/74/586824774.db2.gz NIEJKKRDUVCBBL-QMMMGPOBSA-N -1 3 228.292 0.402 20 0 BCADHM CC[C@H](C(=O)N(C)CCC(=O)[O-])N(C)C ZINC000818132095 586876162 /nfs/dbraw/zinc/87/61/62/586876162.db2.gz AQFZVAOFVMKSSD-MRVPVSSYSA-N -1 3 216.281 0.260 20 0 BCADHM CN(CCC(=O)[O-])Cc1ccc2c(c1)nnn2C ZINC000818463069 586892153 /nfs/dbraw/zinc/89/21/53/586892153.db2.gz RZHFURRSJWYCGG-UHFFFAOYSA-N -1 3 248.286 0.875 20 0 BCADHM COC(=O)/C(C)=C\CN(C)CC(=O)[O-] ZINC000818500474 586894859 /nfs/dbraw/zinc/89/48/59/586894859.db2.gz LQLBWGPFWKEGNS-DAXSKMNVSA-N -1 3 201.222 0.122 20 0 BCADHM CCOCCO[N-]C(=O)/C=C\[C@@H]1CCCO1 ZINC000819502669 586970809 /nfs/dbraw/zinc/97/08/09/586970809.db2.gz XHOWPYKNCYSOFT-OMMCCPJFSA-N -1 3 229.276 0.806 20 0 BCADHM CCOCCO[N-]C(=O)/C=C/[C@H]1CCCO1 ZINC000819502668 586970858 /nfs/dbraw/zinc/97/08/58/586970858.db2.gz XHOWPYKNCYSOFT-BRAIEQGRSA-N -1 3 229.276 0.806 20 0 BCADHM O=C([O-])CN1CCC[C@H]1COC(=O)C1CCC1 ZINC000819513551 586972169 /nfs/dbraw/zinc/97/21/69/586972169.db2.gz NATDMGZVIIBSHU-JTQLQIEISA-N -1 3 241.287 0.879 20 0 BCADHM CCOCCOCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819767590 586991394 /nfs/dbraw/zinc/99/13/94/586991394.db2.gz VHFARVPNTOFPGX-QMMMGPOBSA-N -1 3 246.332 0.647 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)Cc1cnc2cnccn12 ZINC000819895490 587001206 /nfs/dbraw/zinc/00/12/06/587001206.db2.gz KJFMJFVJTSWWSG-QMMMGPOBSA-N -1 3 234.259 0.634 20 0 BCADHM CCC=C(C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000819981668 587010662 /nfs/dbraw/zinc/01/06/62/587010662.db2.gz PYTMCGXBKPQDSS-XQRVVYSFSA-N -1 3 220.236 0.747 20 0 BCADHM C[C@@H](CC(=O)[O-])N[C@@H](C)c1nccn1C ZINC000820071614 587018106 /nfs/dbraw/zinc/01/81/06/587018106.db2.gz BNDXRKZSBBHDSD-YUMQZZPRSA-N -1 3 211.265 0.934 20 0 BCADHM C[C@@H](CC(=O)[O-])NCCS(=O)(=O)CC1CC1 ZINC000820083873 587019649 /nfs/dbraw/zinc/01/96/49/587019649.db2.gz JIHMZIVGLDNWGQ-QMMMGPOBSA-N -1 3 249.332 0.264 20 0 BCADHM C[C@H](CCCO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000820241972 587037378 /nfs/dbraw/zinc/03/73/78/587037378.db2.gz KTSJMHWLNRVBQI-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@H](CCCO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000820241972 587037379 /nfs/dbraw/zinc/03/73/79/587037379.db2.gz KTSJMHWLNRVBQI-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@@H](CCCO)Nc1ncccc1-c1nnn[n-]1 ZINC000820241955 587037928 /nfs/dbraw/zinc/03/79/28/587037928.db2.gz KPMVGOYPWKFKDG-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@@H](CCCO)Nc1ncccc1-c1nn[n-]n1 ZINC000820241955 587037929 /nfs/dbraw/zinc/03/79/29/587037929.db2.gz KPMVGOYPWKFKDG-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@@H]1CN(CC(=O)NCC(=O)[O-])CC(C)(C)C1 ZINC000820246424 587038551 /nfs/dbraw/zinc/03/85/51/587038551.db2.gz XHUSBUHIRXUECJ-VIFPVBQESA-N -1 3 242.319 0.555 20 0 BCADHM CC[C@H](CO)N1CCN(CCCC(=O)[O-])CC1 ZINC000820278703 587040152 /nfs/dbraw/zinc/04/01/52/587040152.db2.gz WEJGWLAFPHEZPG-LLVKDONJSA-N -1 3 244.335 0.240 20 0 BCADHM CCCN(CC(=O)NCC(=O)[O-])CC(C)C ZINC000820317104 587043211 /nfs/dbraw/zinc/04/32/11/587043211.db2.gz CEBAULABXCYFLI-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC000820384488 587045189 /nfs/dbraw/zinc/04/51/89/587045189.db2.gz GKMYEGNWZZMZSL-ZCFIWIBFSA-N -1 3 246.274 0.723 20 0 BCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC000820384488 587045190 /nfs/dbraw/zinc/04/51/90/587045190.db2.gz GKMYEGNWZZMZSL-ZCFIWIBFSA-N -1 3 246.274 0.723 20 0 BCADHM CC[C@@H](N[C@@H](C)c1nccn1C)C(=O)[O-] ZINC000820418809 587047637 /nfs/dbraw/zinc/04/76/37/587047637.db2.gz HNQOJFJFTWBHGX-JGVFFNPUSA-N -1 3 211.265 0.934 20 0 BCADHM CCn1nccc1CN[C@@H](C)CC(=O)[O-] ZINC000820517855 587052360 /nfs/dbraw/zinc/05/23/60/587052360.db2.gz SRIHGLFMCKQHHL-QMMMGPOBSA-N -1 3 211.265 0.856 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC000820523650 587052549 /nfs/dbraw/zinc/05/25/49/587052549.db2.gz PJTDTHFHXWIBGF-BBBLOLIVSA-N -1 3 240.303 0.749 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1ccncn1 ZINC000820651534 587062160 /nfs/dbraw/zinc/06/21/60/587062160.db2.gz HQXTUUVPYFHZHM-UHFFFAOYSA-N -1 3 201.176 0.748 20 0 BCADHM C[C@H]1C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820676936 587065436 /nfs/dbraw/zinc/06/54/36/587065436.db2.gz PQEPIDDZTXEGKO-CAHLUQPWSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@H]1C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820676936 587065437 /nfs/dbraw/zinc/06/54/37/587065437.db2.gz PQEPIDDZTXEGKO-CAHLUQPWSA-N -1 3 232.247 0.333 20 0 BCADHM COC(=O)c1ccc(CN(C)[C@H](C)C(=O)[O-])[nH]1 ZINC000820680317 587065946 /nfs/dbraw/zinc/06/59/46/587065946.db2.gz RWHVDDIJYKAHGE-SSDOTTSWSA-N -1 3 240.259 0.706 20 0 BCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000820716529 587068024 /nfs/dbraw/zinc/06/80/24/587068024.db2.gz JDTSXHJLIPTITQ-SSDOTTSWSA-N -1 3 246.274 0.677 20 0 BCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000820716529 587068026 /nfs/dbraw/zinc/06/80/26/587068026.db2.gz JDTSXHJLIPTITQ-SSDOTTSWSA-N -1 3 246.274 0.677 20 0 BCADHM Cc1nc(C[N-]S(=O)(=O)C2CCC2)no1 ZINC000820792641 587072830 /nfs/dbraw/zinc/07/28/30/587072830.db2.gz CHDLKJNWSUPRSS-UHFFFAOYSA-N -1 3 231.277 0.350 20 0 BCADHM CCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821088677 587095813 /nfs/dbraw/zinc/09/58/13/587095813.db2.gz SBTPIIFSWDUWIW-UHFFFAOYSA-N -1 3 234.263 0.677 20 0 BCADHM CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821088677 587095815 /nfs/dbraw/zinc/09/58/15/587095815.db2.gz SBTPIIFSWDUWIW-UHFFFAOYSA-N -1 3 234.263 0.677 20 0 BCADHM CCCNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821114381 587096896 /nfs/dbraw/zinc/09/68/96/587096896.db2.gz PXGMHXUOZIABGR-UHFFFAOYSA-N -1 3 234.263 0.345 20 0 BCADHM CCCNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821114381 587096898 /nfs/dbraw/zinc/09/68/98/587096898.db2.gz PXGMHXUOZIABGR-UHFFFAOYSA-N -1 3 234.263 0.345 20 0 BCADHM CCN(CC)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821175078 587100027 /nfs/dbraw/zinc/10/00/27/587100027.db2.gz CBXSTVSQVIEJSO-UHFFFAOYSA-N -1 3 234.263 0.677 20 0 BCADHM CCN(CC)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821175078 587100028 /nfs/dbraw/zinc/10/00/28/587100028.db2.gz CBXSTVSQVIEJSO-UHFFFAOYSA-N -1 3 234.263 0.677 20 0 BCADHM CNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821634983 587133604 /nfs/dbraw/zinc/13/36/04/587133604.db2.gz FIKHEBLKDJYMKP-UHFFFAOYSA-N -1 3 209.234 0.288 20 0 BCADHM CNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821634983 587133607 /nfs/dbraw/zinc/13/36/07/587133607.db2.gz FIKHEBLKDJYMKP-UHFFFAOYSA-N -1 3 209.234 0.288 20 0 BCADHM O=C([N-]c1nnnn1C1CC1)C1CCOCC1 ZINC000821668428 587134257 /nfs/dbraw/zinc/13/42/57/587134257.db2.gz LVWIJEPKZQEJSL-UHFFFAOYSA-N -1 3 237.263 0.373 20 0 BCADHM COC[C@@H](C)NCc1ccc(-c2nnn[n-]2)o1 ZINC000821682953 587134810 /nfs/dbraw/zinc/13/48/10/587134810.db2.gz RHXWJKGRHTZSFF-SSDOTTSWSA-N -1 3 237.263 0.584 20 0 BCADHM COC[C@@H](C)NCc1ccc(-c2nn[n-]n2)o1 ZINC000821682953 587134811 /nfs/dbraw/zinc/13/48/11/587134811.db2.gz RHXWJKGRHTZSFF-SSDOTTSWSA-N -1 3 237.263 0.584 20 0 BCADHM C[C@H](C(=O)[N-]OC1CCCC1)N(C)C ZINC000821720025 587135206 /nfs/dbraw/zinc/13/52/06/587135206.db2.gz JGDKYZUZRGMFHK-MRVPVSSYSA-N -1 3 200.282 0.927 20 0 BCADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCC(C)(C)O ZINC000822493774 587172021 /nfs/dbraw/zinc/17/20/21/587172021.db2.gz ABQUNEDKJFVOBY-JGVFFNPUSA-N -1 3 245.275 0.004 20 0 BCADHM Cc1nnnn1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822520207 587173041 /nfs/dbraw/zinc/17/30/41/587173041.db2.gz SXWKJNWSCZXAGY-UHFFFAOYSA-N -1 3 242.246 0.210 20 0 BCADHM Cc1nnnn1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822520207 587173043 /nfs/dbraw/zinc/17/30/43/587173043.db2.gz SXWKJNWSCZXAGY-UHFFFAOYSA-N -1 3 242.246 0.210 20 0 BCADHM CSCCO[N-]C(=O)CN1CCCC1 ZINC000822594530 587177194 /nfs/dbraw/zinc/17/71/94/587177194.db2.gz XYGNHVJZMAHYOP-UHFFFAOYSA-N -1 3 218.322 0.493 20 0 BCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC1CC1 ZINC000822632559 587178614 /nfs/dbraw/zinc/17/86/14/587178614.db2.gz YSKHJRBIQJANKJ-UHFFFAOYSA-N -1 3 232.247 0.097 20 0 BCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC1CC1 ZINC000822632559 587178615 /nfs/dbraw/zinc/17/86/15/587178615.db2.gz YSKHJRBIQJANKJ-UHFFFAOYSA-N -1 3 232.247 0.097 20 0 BCADHM NC(=O)CCSc1cccc(-c2nnn[n-]2)c1 ZINC000822869276 587190388 /nfs/dbraw/zinc/19/03/88/587190388.db2.gz SWUPKUVEALAEMJ-UHFFFAOYSA-N -1 3 249.299 0.834 20 0 BCADHM NC(=O)CCSc1cccc(-c2nn[n-]n2)c1 ZINC000822869276 587190389 /nfs/dbraw/zinc/19/03/89/587190389.db2.gz SWUPKUVEALAEMJ-UHFFFAOYSA-N -1 3 249.299 0.834 20 0 BCADHM O=CN1CCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000823045719 587199729 /nfs/dbraw/zinc/19/97/29/587199729.db2.gz ZUIRWJOZDKFYET-SNVBAGLBSA-N -1 3 234.255 0.952 20 0 BCADHM C[C@H](C(=O)[N-]OCCC1CC1)N(C)C ZINC000823145124 587205164 /nfs/dbraw/zinc/20/51/64/587205164.db2.gz NWSPGWUXVXIUOH-MRVPVSSYSA-N -1 3 200.282 0.784 20 0 BCADHM Cn1cc(NC([O-])=NOCC2CCC2)nn1 ZINC000823491455 587226415 /nfs/dbraw/zinc/22/64/15/587226415.db2.gz GRMOGCBJYJIHOH-UHFFFAOYSA-N -1 3 225.252 0.668 20 0 BCADHM Cn1cc(NC(=O)[N-]OCC2CCC2)nn1 ZINC000823491455 587226416 /nfs/dbraw/zinc/22/64/16/587226416.db2.gz GRMOGCBJYJIHOH-UHFFFAOYSA-N -1 3 225.252 0.668 20 0 BCADHM CC(=O)CCN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000823531515 587229713 /nfs/dbraw/zinc/22/97/13/587229713.db2.gz AFSSDIHEEUKQSG-SECBINFHSA-N -1 3 214.265 0.650 20 0 BCADHM CC(=O)CCN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000823531517 587229799 /nfs/dbraw/zinc/22/97/99/587229799.db2.gz AFSSDIHEEUKQSG-VIFPVBQESA-N -1 3 214.265 0.650 20 0 BCADHM O[C@@H](CNCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000823689551 587236362 /nfs/dbraw/zinc/23/63/62/587236362.db2.gz HPFFMNFOPYDRMO-VIFPVBQESA-N -1 3 249.274 0.320 20 0 BCADHM O[C@@H](CNCc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC000823689551 587236364 /nfs/dbraw/zinc/23/63/64/587236364.db2.gz HPFFMNFOPYDRMO-VIFPVBQESA-N -1 3 249.274 0.320 20 0 BCADHM O[C@H](CNCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000823689547 587236440 /nfs/dbraw/zinc/23/64/40/587236440.db2.gz HPFFMNFOPYDRMO-SECBINFHSA-N -1 3 249.274 0.320 20 0 BCADHM O[C@H](CNCc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC000823689547 587236441 /nfs/dbraw/zinc/23/64/41/587236441.db2.gz HPFFMNFOPYDRMO-SECBINFHSA-N -1 3 249.274 0.320 20 0 BCADHM c1cc(-c2nnn[n-]2)oc1CN[C@H]1CCCOC1 ZINC000823747667 587238980 /nfs/dbraw/zinc/23/89/80/587238980.db2.gz HOTHHVPZZBAREI-QMMMGPOBSA-N -1 3 249.274 0.728 20 0 BCADHM c1cc(-c2nn[n-]n2)oc1CN[C@H]1CCCOC1 ZINC000823747667 587238982 /nfs/dbraw/zinc/23/89/82/587238982.db2.gz HOTHHVPZZBAREI-QMMMGPOBSA-N -1 3 249.274 0.728 20 0 BCADHM CO[C@@H]1C[C@H]1C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000823811174 587241132 /nfs/dbraw/zinc/24/11/32/587241132.db2.gz GIOXUIATXRJDBQ-HTQZYQBOSA-N -1 3 237.259 0.142 20 0 BCADHM CC(C)(O)CCN1CC[C@H](NC(=O)[O-])C1 ZINC000824034893 587249944 /nfs/dbraw/zinc/24/99/44/587249944.db2.gz JNIKZKZRNOPRCM-QMMMGPOBSA-N -1 3 216.281 0.489 20 0 BCADHM CC(C)(O)CNc1cnccc1-c1nnn[n-]1 ZINC000824172690 587259423 /nfs/dbraw/zinc/25/94/23/587259423.db2.gz OPRYTCCQYOFGGU-UHFFFAOYSA-N -1 3 234.263 0.445 20 0 BCADHM CC(C)(O)CNc1cnccc1-c1nn[n-]n1 ZINC000824172690 587259425 /nfs/dbraw/zinc/25/94/25/587259425.db2.gz OPRYTCCQYOFGGU-UHFFFAOYSA-N -1 3 234.263 0.445 20 0 BCADHM CC(C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824266386 587264203 /nfs/dbraw/zinc/26/42/03/587264203.db2.gz KMELMXAJKKXUFT-UHFFFAOYSA-N -1 3 234.263 0.581 20 0 BCADHM CC(C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824266386 587264205 /nfs/dbraw/zinc/26/42/05/587264205.db2.gz KMELMXAJKKXUFT-UHFFFAOYSA-N -1 3 234.263 0.581 20 0 BCADHM CC(C)NC(=O)Cn1ccc(-c2nnn[n-]2)c1 ZINC000824305901 587265464 /nfs/dbraw/zinc/26/54/64/587265464.db2.gz WHYSVJHKWRJXPI-UHFFFAOYSA-N -1 3 234.263 0.193 20 0 BCADHM CC(C)NC(=O)Cn1ccc(-c2nn[n-]n2)c1 ZINC000824305901 587265466 /nfs/dbraw/zinc/26/54/66/587265466.db2.gz WHYSVJHKWRJXPI-UHFFFAOYSA-N -1 3 234.263 0.193 20 0 BCADHM CC(C)N1CCN([C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000824363219 587267794 /nfs/dbraw/zinc/26/77/94/587267794.db2.gz QCWJVGHZDLEARM-LLVKDONJSA-N -1 3 241.335 0.765 20 0 BCADHM CCOCCON=C([O-])Nc1c(C)cnn1C ZINC000824403757 587269417 /nfs/dbraw/zinc/26/94/17/587269417.db2.gz AEAAVJLFAWTHBN-UHFFFAOYSA-N -1 3 242.279 0.818 20 0 BCADHM CCOCCO[N-]C(=O)Nc1c(C)cnn1C ZINC000824403757 587269418 /nfs/dbraw/zinc/26/94/18/587269418.db2.gz AEAAVJLFAWTHBN-UHFFFAOYSA-N -1 3 242.279 0.818 20 0 BCADHM C[C@@H](CCCO)Nc1cnccc1-c1nnn[n-]1 ZINC000824400202 587269761 /nfs/dbraw/zinc/26/97/61/587269761.db2.gz BZTQNJKDWFNHIV-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@@H](CCCO)Nc1cnccc1-c1nn[n-]n1 ZINC000824400202 587269763 /nfs/dbraw/zinc/26/97/63/587269763.db2.gz BZTQNJKDWFNHIV-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@@H](CC(=O)N1CCCN(C)CC1)NC(=O)[O-] ZINC000824591601 587278454 /nfs/dbraw/zinc/27/84/54/587278454.db2.gz QBPKJFVJQXLLHF-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM C[C@H](O)C[C@H](C)Nc1cnccc1-c1nnn[n-]1 ZINC000824697305 587283604 /nfs/dbraw/zinc/28/36/04/587283604.db2.gz BNEQMIWVHBJGQH-YUMQZZPRSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](O)C[C@H](C)Nc1cnccc1-c1nn[n-]n1 ZINC000824697305 587283606 /nfs/dbraw/zinc/28/36/06/587283606.db2.gz BNEQMIWVHBJGQH-YUMQZZPRSA-N -1 3 248.290 0.833 20 0 BCADHM CC1(C)C[C@@H]1C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000824795977 587287643 /nfs/dbraw/zinc/28/76/43/587287643.db2.gz KOGRMERCQPRNFV-ZCFIWIBFSA-N -1 3 247.262 0.332 20 0 BCADHM C[C@](CNC(=O)[O-])(NCCF)C1CC1 ZINC000824953384 587294479 /nfs/dbraw/zinc/29/44/79/587294479.db2.gz VRXXBPGWVBMIHO-SECBINFHSA-N -1 3 204.245 0.982 20 0 BCADHM C[C@H](CNC(=O)[O-])N(C)CC1(C)COC1 ZINC000824967352 587295432 /nfs/dbraw/zinc/29/54/32/587295432.db2.gz RBKVCGCYSTUOQG-MRVPVSSYSA-N -1 3 216.281 0.611 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC000824992270 587297683 /nfs/dbraw/zinc/29/76/83/587297683.db2.gz LGXDXYPWCUKLAW-VXNVDRBHSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC000824992270 587297685 /nfs/dbraw/zinc/29/76/85/587297685.db2.gz LGXDXYPWCUKLAW-VXNVDRBHSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC000824999126 587297929 /nfs/dbraw/zinc/29/79/29/587297929.db2.gz COEBLQOPYQVBJW-CBAPKCEASA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC000824999126 587297930 /nfs/dbraw/zinc/29/79/30/587297930.db2.gz COEBLQOPYQVBJW-CBAPKCEASA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1CN(c2cnccc2-c2nnn[n-]2)C[C@H]1O ZINC000824999407 587298119 /nfs/dbraw/zinc/29/81/19/587298119.db2.gz GZWUAFBVYHMPPL-GMSGAONNSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1CN(c2cnccc2-c2nn[n-]n2)C[C@H]1O ZINC000824999407 587298121 /nfs/dbraw/zinc/29/81/21/587298121.db2.gz GZWUAFBVYHMPPL-GMSGAONNSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@]1(C(=O)NCCCc2c[n-][nH]c2=O)C=CCC1 ZINC000825278127 587312652 /nfs/dbraw/zinc/31/26/52/587312652.db2.gz YIRXZCDHJTUHJP-ZWNOBZJWSA-N -1 3 249.314 0.971 20 0 BCADHM CCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825332570 587315305 /nfs/dbraw/zinc/31/53/05/587315305.db2.gz IRWGAILFDMCKIW-UHFFFAOYSA-N -1 3 220.236 0.335 20 0 BCADHM CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825332570 587315306 /nfs/dbraw/zinc/31/53/06/587315306.db2.gz IRWGAILFDMCKIW-UHFFFAOYSA-N -1 3 220.236 0.335 20 0 BCADHM CCNc1ccc(-c2nnn[n-]2)cc1NCCO ZINC000825480741 587320825 /nfs/dbraw/zinc/32/08/25/587320825.db2.gz INLCHBTXISKICM-UHFFFAOYSA-N -1 3 248.290 0.703 20 0 BCADHM CCNc1ccc(-c2nn[n-]n2)cc1NCCO ZINC000825480741 587320827 /nfs/dbraw/zinc/32/08/27/587320827.db2.gz INLCHBTXISKICM-UHFFFAOYSA-N -1 3 248.290 0.703 20 0 BCADHM C[C@@H](N[C@H]1CCN(C(=O)[O-])C1)c1cnn(C)c1 ZINC000825479874 587321031 /nfs/dbraw/zinc/32/10/31/587321031.db2.gz QPFKULFZJGEMPD-SCZZXKLOSA-N -1 3 238.291 0.823 20 0 BCADHM C[C@@H](NCCCNC(=O)[O-])c1cnn(C)c1 ZINC000825496351 587321511 /nfs/dbraw/zinc/32/15/11/587321511.db2.gz PAMRIOICQFSPSI-MRVPVSSYSA-N -1 3 226.280 0.728 20 0 BCADHM C[C@H](O)[C@H]1CCCCN1CCNC(=O)[O-] ZINC000825516095 587322361 /nfs/dbraw/zinc/32/23/61/587322361.db2.gz SHQJNMKBIVSYBC-DTWKUNHWSA-N -1 3 216.281 0.489 20 0 BCADHM CC[C@H](CO)Nc1cnccc1-c1nnn[n-]1 ZINC000825679785 587331903 /nfs/dbraw/zinc/33/19/03/587331903.db2.gz GCNHZWPVMKINNC-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM CC[C@H](CO)Nc1cnccc1-c1nn[n-]n1 ZINC000825679785 587331905 /nfs/dbraw/zinc/33/19/05/587331905.db2.gz GCNHZWPVMKINNC-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C/C(=C/CN1CCC[C@@H](OCCO)C1)C(=O)[O-] ZINC000825742023 587335475 /nfs/dbraw/zinc/33/54/75/587335475.db2.gz VERCNHXXQQUVEM-NEOSZVFXSA-N -1 3 243.303 0.491 20 0 BCADHM C/C(=C/CN1C[C@@H]2[C@H](C1)OCCN2C)C(=O)[O-] ZINC000825736434 587335614 /nfs/dbraw/zinc/33/56/14/587335614.db2.gz ZAEJHPUTWZKFGJ-ZHFHSAFGSA-N -1 3 240.303 0.032 20 0 BCADHM CC1(O)CCN(CCNC(=O)[O-])CC1 ZINC000825760103 587338076 /nfs/dbraw/zinc/33/80/76/587338076.db2.gz JKCMRJHXNJGRNC-UHFFFAOYSA-N -1 3 202.254 0.101 20 0 BCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC000825826158 587340795 /nfs/dbraw/zinc/34/07/95/587340795.db2.gz ZHSWUFGXBYCHRC-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC000825826158 587340797 /nfs/dbraw/zinc/34/07/97/587340797.db2.gz ZHSWUFGXBYCHRC-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM C[C@@H](NC(=O)[O-])C(=O)NCCN1CCC[C@@H]1C ZINC000825932321 587345857 /nfs/dbraw/zinc/34/58/57/587345857.db2.gz RFWZUHMCDZSZPM-DTWKUNHWSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N1CCC2(CCC2)C1 ZINC000826001275 587348182 /nfs/dbraw/zinc/34/81/82/587348182.db2.gz VDSQQZQKTBMLEN-VIFPVBQESA-N -1 3 240.303 0.452 20 0 BCADHM COCCON=C([O-])Nc1nn(C)cc1C ZINC000826042963 587349132 /nfs/dbraw/zinc/34/91/32/587349132.db2.gz AOBIBQXMJIZCFL-UHFFFAOYSA-N -1 3 228.252 0.428 20 0 BCADHM COCCO[N-]C(=O)Nc1nn(C)cc1C ZINC000826042963 587349133 /nfs/dbraw/zinc/34/91/33/587349133.db2.gz AOBIBQXMJIZCFL-UHFFFAOYSA-N -1 3 228.252 0.428 20 0 BCADHM C[C@@H]1CN(CC2(O)CCC2)C[C@H](C)N1C(=O)[O-] ZINC000826048761 587349445 /nfs/dbraw/zinc/34/94/45/587349445.db2.gz JENRNFRUDVIJOP-AOOOYVTPSA-N -1 3 242.319 0.974 20 0 BCADHM CNc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000826090734 587350760 /nfs/dbraw/zinc/35/07/60/587350760.db2.gz NCQUTNBRWIMGRM-UHFFFAOYSA-N -1 3 249.274 0.934 20 0 BCADHM CNc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000826090734 587350761 /nfs/dbraw/zinc/35/07/61/587350761.db2.gz NCQUTNBRWIMGRM-UHFFFAOYSA-N -1 3 249.274 0.934 20 0 BCADHM COC1(C)CN(c2ncccc2-c2nnn[n-]2)C1 ZINC000826143972 587351340 /nfs/dbraw/zinc/35/13/40/587351340.db2.gz YOCTVEAXUDTUOK-UHFFFAOYSA-N -1 3 246.274 0.487 20 0 BCADHM COC1(C)CN(c2ncccc2-c2nn[n-]n2)C1 ZINC000826143972 587351341 /nfs/dbraw/zinc/35/13/41/587351341.db2.gz YOCTVEAXUDTUOK-UHFFFAOYSA-N -1 3 246.274 0.487 20 0 BCADHM COCCNc1nccc(C)c1-c1nnn[n-]1 ZINC000826160281 587351614 /nfs/dbraw/zinc/35/16/14/587351614.db2.gz MCJJWIHMNLGQJV-UHFFFAOYSA-N -1 3 234.263 0.628 20 0 BCADHM COCCNc1nccc(C)c1-c1nn[n-]n1 ZINC000826160281 587351615 /nfs/dbraw/zinc/35/16/15/587351615.db2.gz MCJJWIHMNLGQJV-UHFFFAOYSA-N -1 3 234.263 0.628 20 0 BCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCO ZINC000826251807 587351644 /nfs/dbraw/zinc/35/16/44/587351644.db2.gz BJAWOWRYBUNDEW-UHFFFAOYSA-N -1 3 248.242 0.324 20 0 BCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCO ZINC000826251807 587351645 /nfs/dbraw/zinc/35/16/45/587351645.db2.gz BJAWOWRYBUNDEW-UHFFFAOYSA-N -1 3 248.242 0.324 20 0 BCADHM COCCNc1cnccc1-c1nnn[n-]1 ZINC000826160506 587351712 /nfs/dbraw/zinc/35/17/12/587351712.db2.gz UOYIOPNRETWSEN-UHFFFAOYSA-N -1 3 220.236 0.320 20 0 BCADHM COCCNc1cnccc1-c1nn[n-]n1 ZINC000826160506 587351713 /nfs/dbraw/zinc/35/17/13/587351713.db2.gz UOYIOPNRETWSEN-UHFFFAOYSA-N -1 3 220.236 0.320 20 0 BCADHM Cc1ccnc(N(C)C[C@@H](C)O)c1-c1nnn[n-]1 ZINC000826309616 587352261 /nfs/dbraw/zinc/35/22/61/587352261.db2.gz VSLOMGTYMSLYRO-MRVPVSSYSA-N -1 3 248.290 0.387 20 0 BCADHM Cc1ccnc(N(C)C[C@@H](C)O)c1-c1nn[n-]n1 ZINC000826309616 587352262 /nfs/dbraw/zinc/35/22/62/587352262.db2.gz VSLOMGTYMSLYRO-MRVPVSSYSA-N -1 3 248.290 0.387 20 0 BCADHM Cc1ccnc(N2CC[C@@H](O)C2)c1-c1nnn[n-]1 ZINC000826312219 587352279 /nfs/dbraw/zinc/35/22/79/587352279.db2.gz YQFKDLXPJVDEHH-MRVPVSSYSA-N -1 3 246.274 0.141 20 0 BCADHM Cc1ccnc(N2CC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC000826312219 587352280 /nfs/dbraw/zinc/35/22/80/587352280.db2.gz YQFKDLXPJVDEHH-MRVPVSSYSA-N -1 3 246.274 0.141 20 0 BCADHM Cc1ccnc(N2CC(F)C2)c1-c1nnn[n-]1 ZINC000826309646 587352340 /nfs/dbraw/zinc/35/23/40/587352340.db2.gz WUCWSDXPTCZGIR-UHFFFAOYSA-N -1 3 234.238 0.728 20 0 BCADHM Cc1ccnc(N2CC(F)C2)c1-c1nn[n-]n1 ZINC000826309646 587352341 /nfs/dbraw/zinc/35/23/41/587352341.db2.gz WUCWSDXPTCZGIR-UHFFFAOYSA-N -1 3 234.238 0.728 20 0 BCADHM Cc1ccnc(NC[C@H](C)O)c1-c1nnn[n-]1 ZINC000826312511 587352506 /nfs/dbraw/zinc/35/25/06/587352506.db2.gz GJYRQTNYAFOHAZ-ZETCQYMHSA-N -1 3 234.263 0.363 20 0 BCADHM Cc1ccnc(NC[C@H](C)O)c1-c1nn[n-]n1 ZINC000826312511 587352507 /nfs/dbraw/zinc/35/25/07/587352507.db2.gz GJYRQTNYAFOHAZ-ZETCQYMHSA-N -1 3 234.263 0.363 20 0 BCADHM OCCC1CN(c2ncccc2-c2nnn[n-]2)C1 ZINC000826508938 587352745 /nfs/dbraw/zinc/35/27/45/587352745.db2.gz GRWLSVDVNQOHSP-UHFFFAOYSA-N -1 3 246.274 0.080 20 0 BCADHM OCCC1CN(c2ncccc2-c2nn[n-]n2)C1 ZINC000826508938 587352746 /nfs/dbraw/zinc/35/27/46/587352746.db2.gz GRWLSVDVNQOHSP-UHFFFAOYSA-N -1 3 246.274 0.080 20 0 BCADHM O[C@H]1CCCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000826506872 587353029 /nfs/dbraw/zinc/35/30/29/587353029.db2.gz DJYGQTPOXFDCMD-QMMMGPOBSA-N -1 3 246.274 0.223 20 0 BCADHM O[C@H]1CCCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000826506872 587353030 /nfs/dbraw/zinc/35/30/30/587353030.db2.gz DJYGQTPOXFDCMD-QMMMGPOBSA-N -1 3 246.274 0.223 20 0 BCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCC1 ZINC000826469436 587353198 /nfs/dbraw/zinc/35/31/98/587353198.db2.gz GXZOABQDUYDBAG-UHFFFAOYSA-N -1 3 232.247 0.431 20 0 BCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCC1 ZINC000826469436 587353199 /nfs/dbraw/zinc/35/31/99/587353199.db2.gz GXZOABQDUYDBAG-UHFFFAOYSA-N -1 3 232.247 0.431 20 0 BCADHM O=C(NCC1CCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826434527 587353207 /nfs/dbraw/zinc/35/32/07/587353207.db2.gz PJHORBFOLKAOQI-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM O=C(NCC1CCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826434527 587353208 /nfs/dbraw/zinc/35/32/08/587353208.db2.gz PJHORBFOLKAOQI-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM OCC1(CNc2cnccc2-c2nnn[n-]2)CC1 ZINC000826508320 587353254 /nfs/dbraw/zinc/35/32/54/587353254.db2.gz MHLGEWYPORDEKV-UHFFFAOYSA-N -1 3 246.274 0.446 20 0 BCADHM OCC1(CNc2cnccc2-c2nn[n-]n2)CC1 ZINC000826508320 587353255 /nfs/dbraw/zinc/35/32/55/587353255.db2.gz MHLGEWYPORDEKV-UHFFFAOYSA-N -1 3 246.274 0.446 20 0 BCADHM O=C(O[C@@H]1CCOC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826463004 587353268 /nfs/dbraw/zinc/35/32/68/587353268.db2.gz PMYFSROTDYTEKP-SSDOTTSWSA-N -1 3 249.230 0.141 20 0 BCADHM O=C(O[C@@H]1CCOC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826463004 587353269 /nfs/dbraw/zinc/35/32/69/587353269.db2.gz PMYFSROTDYTEKP-SSDOTTSWSA-N -1 3 249.230 0.141 20 0 BCADHM O[C@@H]1CCCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000826506871 587353312 /nfs/dbraw/zinc/35/33/12/587353312.db2.gz DJYGQTPOXFDCMD-MRVPVSSYSA-N -1 3 246.274 0.223 20 0 BCADHM O[C@@H]1CCCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000826506871 587353313 /nfs/dbraw/zinc/35/33/13/587353313.db2.gz DJYGQTPOXFDCMD-MRVPVSSYSA-N -1 3 246.274 0.223 20 0 BCADHM OC[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826508842 587353346 /nfs/dbraw/zinc/35/33/46/587353346.db2.gz DCJDYTSHHONQJH-QMMMGPOBSA-N -1 3 249.274 0.274 20 0 BCADHM CC[C@H](O)CN(C)[C@H](C)CNC(=O)[O-] ZINC000826626246 587356922 /nfs/dbraw/zinc/35/69/22/587356922.db2.gz TUCITKADFUDSAQ-SFYZADRCSA-N -1 3 204.270 0.345 20 0 BCADHM CCC[C@H](NC(=O)[O-])C(=O)N(C)CCN(C)C ZINC000826745320 587361035 /nfs/dbraw/zinc/36/10/35/587361035.db2.gz WUUWSWRFWHORSU-VIFPVBQESA-N -1 3 245.323 0.443 20 0 BCADHM CCN1C[C@@H](C)[C@H](NC(=O)CCNC(=O)[O-])C1 ZINC000827199256 587372420 /nfs/dbraw/zinc/37/24/20/587372420.db2.gz OLKLAQFWDYRWNU-RKDXNWHRSA-N -1 3 243.307 0.101 20 0 BCADHM O=S(=O)([N-][C@H](CO)C1CC1)c1cscn1 ZINC000827199212 587372431 /nfs/dbraw/zinc/37/24/31/587372431.db2.gz AIXHFDCXWPPNOB-SSDOTTSWSA-N -1 3 248.329 0.192 20 0 BCADHM CCN1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[O-])C1 ZINC000827201699 587372523 /nfs/dbraw/zinc/37/25/23/587372523.db2.gz YFAFOKRQGASSNX-HLTSFMKQSA-N -1 3 243.307 0.099 20 0 BCADHM CCN1C[C@H](NC(=O)CCNC(=O)[O-])[C@@H](C)C1 ZINC000827199253 587372654 /nfs/dbraw/zinc/37/26/54/587372654.db2.gz OLKLAQFWDYRWNU-IUCAKERBSA-N -1 3 243.307 0.101 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000827284426 587375168 /nfs/dbraw/zinc/37/51/68/587375168.db2.gz ZCUYTIQLWPIPHO-IUCAKERBSA-N -1 3 240.303 0.450 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000827284425 587375318 /nfs/dbraw/zinc/37/53/18/587375318.db2.gz ZCUYTIQLWPIPHO-DTWKUNHWSA-N -1 3 240.303 0.450 20 0 BCADHM CCOC(=O)CCN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827307204 587376354 /nfs/dbraw/zinc/37/63/54/587376354.db2.gz ZXRHRAWOZXKYHO-VIFPVBQESA-N -1 3 244.291 0.624 20 0 BCADHM CC(C)N(C)C(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000827442257 587381818 /nfs/dbraw/zinc/38/18/18/587381818.db2.gz HJWSQTQLTPWUBS-VHSXEESVSA-N -1 3 244.335 0.894 20 0 BCADHM CC[C@@H](O)CN1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000827508636 587384610 /nfs/dbraw/zinc/38/46/10/587384610.db2.gz PMGRPKIPEYHQDL-LPEHRKFASA-N -1 3 230.308 0.830 20 0 BCADHM CO[C@@H]1C[C@H]1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000827597312 587391349 /nfs/dbraw/zinc/39/13/49/587391349.db2.gz AFBXPQGSIZJTGI-GMSGAONNSA-N -1 3 249.270 0.368 20 0 BCADHM CCn1cc(CNCCNC(=O)[O-])cn1 ZINC000827700328 587397285 /nfs/dbraw/zinc/39/72/85/587397285.db2.gz KNHCNELPVVOXSN-UHFFFAOYSA-N -1 3 212.253 0.260 20 0 BCADHM CCn1cc([C@H](C)NCCNC(=O)[O-])cn1 ZINC000827700905 587397666 /nfs/dbraw/zinc/39/76/66/587397666.db2.gz QRABXFYFBGDMOJ-QMMMGPOBSA-N -1 3 226.280 0.821 20 0 BCADHM C[C@@H](NCCC(=O)[O-])c1nnc2ccccn21 ZINC000827734590 587400419 /nfs/dbraw/zinc/40/04/19/587400419.db2.gz JISUVEAPVGSSHU-MRVPVSSYSA-N -1 3 234.259 0.855 20 0 BCADHM CN(C(=O)[O-])C1CCN(CCO)CC1 ZINC000827889674 587408507 /nfs/dbraw/zinc/40/85/07/587408507.db2.gz IZHNGZIRFLDQGP-UHFFFAOYSA-N -1 3 202.254 0.053 20 0 BCADHM CN(C)C(=O)CN[C@@](C)(CNC(=O)[O-])C1CC1 ZINC000827959678 587413255 /nfs/dbraw/zinc/41/32/55/587413255.db2.gz AZTUJWHOLXTFIT-NSHDSACASA-N -1 3 243.307 0.101 20 0 BCADHM CN(C)C1(C(=O)NCCCNC(=O)[O-])CCC1 ZINC000828000213 587415950 /nfs/dbraw/zinc/41/59/50/587415950.db2.gz IMLGTUIRJBLNFD-UHFFFAOYSA-N -1 3 243.307 0.245 20 0 BCADHM C[C@@H]1CC(=O)N(CN2CC[C@](C)(C(=O)[O-])C2)C1 ZINC000828148724 587421831 /nfs/dbraw/zinc/42/18/31/587421831.db2.gz CXWFXHLUOQONCN-SKDRFNHKSA-N -1 3 240.303 0.609 20 0 BCADHM C[C@H]1CC(=O)N(CN2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000828148723 587422027 /nfs/dbraw/zinc/42/20/27/587422027.db2.gz CXWFXHLUOQONCN-JOYOIKCWSA-N -1 3 240.303 0.609 20 0 BCADHM CN(C[C@H]1CCCO1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828236218 587426524 /nfs/dbraw/zinc/42/65/24/587426524.db2.gz ODSAXGZHZAGQHC-VHSXEESVSA-N -1 3 228.292 0.850 20 0 BCADHM C[C@@H]1CCCN1CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000828272149 587429833 /nfs/dbraw/zinc/42/98/33/587429833.db2.gz WMUYSHQUUVHZKZ-UTLUCORTSA-N -1 3 240.303 0.308 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N1CC[C@@H](C)[C@@H]1C ZINC000828284757 587431607 /nfs/dbraw/zinc/43/16/07/587431607.db2.gz HXMMYOLDBYLUSI-VGMNWLOBSA-N -1 3 228.292 0.306 20 0 BCADHM C[C@@H]1CN(CN2CCCC2=O)C[C@H]1C(=O)[O-] ZINC000828456448 587443639 /nfs/dbraw/zinc/44/36/39/587443639.db2.gz LOUOAETXOYQANA-RKDXNWHRSA-N -1 3 226.276 0.219 20 0 BCADHM CC[C@@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])N(C)C ZINC000828587163 587451928 /nfs/dbraw/zinc/45/19/28/587451928.db2.gz OAPLNOKFQFLQRT-ZJUUUORDSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H](C(=O)N1CCN(C(=O)[O-])CC1)N(C)C ZINC000828586015 587451951 /nfs/dbraw/zinc/45/19/51/587451951.db2.gz CEAYJFIIDYFEHR-VIFPVBQESA-N -1 3 243.307 0.149 20 0 BCADHM CC[C@H](C(=O)OC)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000828603432 587453000 /nfs/dbraw/zinc/45/30/00/587453000.db2.gz INOOZHMBIWDTFW-DJLDLDEBSA-N -1 3 229.276 0.591 20 0 BCADHM COC(=O)CCCN1CCC[C@H]1CNC(=O)[O-] ZINC000828671314 587456363 /nfs/dbraw/zinc/45/63/63/587456363.db2.gz SHWOJJLOPTYRLI-VIFPVBQESA-N -1 3 244.291 0.672 20 0 BCADHM CC[C@@H](C)[C@@H](NCC(=O)N(C)C)C(=O)[O-] ZINC000828735551 587459278 /nfs/dbraw/zinc/45/92/78/587459278.db2.gz BSARPWQPENAZKE-VXNVDRBHSA-N -1 3 216.281 0.164 20 0 BCADHM CCC(CC)(CC(=O)[O-])NCc1cn(C)nn1 ZINC000828803823 587462876 /nfs/dbraw/zinc/46/28/76/587462876.db2.gz ATYWEUIGNSACRE-UHFFFAOYSA-N -1 3 240.307 0.938 20 0 BCADHM CO[C@@H](C)[C@@H](C)NC1CN(C(=O)[O-])C1 ZINC000828824330 587464706 /nfs/dbraw/zinc/46/47/06/587464706.db2.gz QHUPVZAWIWYONM-RQJHMYQMSA-N -1 3 202.254 0.362 20 0 BCADHM CO[C@H]1CCCN(CCNC(=O)[O-])C1 ZINC000828881019 587468318 /nfs/dbraw/zinc/46/83/18/587468318.db2.gz RPCIMVHCKDLLTG-QMMMGPOBSA-N -1 3 202.254 0.365 20 0 BCADHM CC[C@H](CO)N1CCN([C@H](CC)C(=O)[O-])CC1 ZINC000828891223 587469015 /nfs/dbraw/zinc/46/90/15/587469015.db2.gz UGMXARVBSMEFRS-GHMZBOCLSA-N -1 3 244.335 0.238 20 0 BCADHM COC[C@@H](C)N1CC[C@@H](NC(=O)[O-])C1 ZINC000828896028 587469648 /nfs/dbraw/zinc/46/96/48/587469648.db2.gz FYFSPXAKRWSYAW-HTQZYQBOSA-N -1 3 202.254 0.363 20 0 BCADHM C[C@H]([N-]C(=O)C(F)F)c1ccnn1C ZINC000828981894 587477108 /nfs/dbraw/zinc/47/71/08/587477108.db2.gz MCJUJTRBGZXOBO-YFKPBYRVSA-N -1 3 203.192 0.862 20 0 BCADHM CC[C@]1(C)CCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000829050193 587480690 /nfs/dbraw/zinc/48/06/90/587480690.db2.gz NKXLBAHDOLFXTI-BXKDBHETSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@H]1C[C@H](C)CN1CC(=O)NCCC(=O)[O-] ZINC000829076043 587482082 /nfs/dbraw/zinc/48/20/82/587482082.db2.gz ZQGZPRNRVBXKHM-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM CCCCC[C@H](O)C(=O)[N-]c1nncn1C ZINC000829403495 587496358 /nfs/dbraw/zinc/49/63/58/587496358.db2.gz HZFIWSLMZFEYPF-QMMMGPOBSA-N -1 3 226.280 0.695 20 0 BCADHM CCCN(C)CC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000829458122 587497606 /nfs/dbraw/zinc/49/76/06/587497606.db2.gz JQENBFFUCXOKKW-JTQLQIEISA-N -1 3 228.292 0.308 20 0 BCADHM CCN(CC)CC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000829671636 587508831 /nfs/dbraw/zinc/50/88/31/587508831.db2.gz ICFPAQFMJSTBQP-VHSXEESVSA-N -1 3 242.319 0.507 20 0 BCADHM COCCO[N-]C(=O)Cc1ccnc(OC)c1 ZINC000829683074 587509406 /nfs/dbraw/zinc/50/94/06/587509406.db2.gz RQUADDKWXNMHEL-UHFFFAOYSA-N -1 3 240.259 0.327 20 0 BCADHM CCN1C[C@H](C)[C@H](NC(=O)CCC(=O)[O-])C1 ZINC000829746165 587513063 /nfs/dbraw/zinc/51/30/63/587513063.db2.gz VVPKJALFVRKMSR-DTWKUNHWSA-N -1 3 228.292 0.308 20 0 BCADHM CCN1C[C@H](C)[C@H](NC(=O)[C@H](C)CC(=O)[O-])C1 ZINC000829743781 587513402 /nfs/dbraw/zinc/51/34/02/587513402.db2.gz BPDAQTREHBPDKO-KXUCPTDWSA-N -1 3 242.319 0.554 20 0 BCADHM Cc1ccc(C(=O)N2CC=C(N)N2)c([O-])c1C ZINC000829841286 587522571 /nfs/dbraw/zinc/52/25/71/587522571.db2.gz URAAVVALZMPVNG-UHFFFAOYSA-N -1 3 233.271 0.770 20 0 BCADHM CCOCCN[C@H](C(=O)[O-])c1cccnc1 ZINC000830012109 587532154 /nfs/dbraw/zinc/53/21/54/587532154.db2.gz UQODXNFHMHHZFN-JTQLQIEISA-N -1 3 224.260 0.833 20 0 BCADHM CCOc1nc(NC(=O)CCC(C)=O)n[n-]1 ZINC000830392614 587548809 /nfs/dbraw/zinc/54/88/09/587548809.db2.gz FPFOHIRZSJESMN-UHFFFAOYSA-N -1 3 226.236 0.511 20 0 BCADHM CCOc1nnc(NC(=O)CCC(C)=O)[n-]1 ZINC000830392614 587548810 /nfs/dbraw/zinc/54/88/10/587548810.db2.gz FPFOHIRZSJESMN-UHFFFAOYSA-N -1 3 226.236 0.511 20 0 BCADHM CCOc1n[n-]c(NC(=O)CCC(C)=O)n1 ZINC000830392614 587548812 /nfs/dbraw/zinc/54/88/12/587548812.db2.gz FPFOHIRZSJESMN-UHFFFAOYSA-N -1 3 226.236 0.511 20 0 BCADHM CCOc1nc(NC(=O)[C@H](C)N(C)C)n[n-]1 ZINC000830399431 587549716 /nfs/dbraw/zinc/54/97/16/587549716.db2.gz GLZCJLDIVOPOGB-LURJTMIESA-N -1 3 227.268 0.092 20 0 BCADHM CCOc1nnc(NC(=O)[C@H](C)N(C)C)[n-]1 ZINC000830399431 587549717 /nfs/dbraw/zinc/54/97/17/587549717.db2.gz GLZCJLDIVOPOGB-LURJTMIESA-N -1 3 227.268 0.092 20 0 BCADHM CCOc1nc(NC(=O)C23CC(C2)C3)n[n-]1 ZINC000830408943 587550165 /nfs/dbraw/zinc/55/01/65/587550165.db2.gz VLIRFLSMNXMCNC-UHFFFAOYSA-N -1 3 222.248 0.942 20 0 BCADHM CCOc1nnc(NC(=O)C23CC(C2)C3)[n-]1 ZINC000830408943 587550167 /nfs/dbraw/zinc/55/01/67/587550167.db2.gz VLIRFLSMNXMCNC-UHFFFAOYSA-N -1 3 222.248 0.942 20 0 BCADHM CCOc1n[n-]c(NC(=O)C23CC(C2)C3)n1 ZINC000830408943 587550168 /nfs/dbraw/zinc/55/01/68/587550168.db2.gz VLIRFLSMNXMCNC-UHFFFAOYSA-N -1 3 222.248 0.942 20 0 BCADHM CCOc1nc(NC(=O)CCCF)n[n-]1 ZINC000830409074 587550554 /nfs/dbraw/zinc/55/05/54/587550554.db2.gz ZRVRMNHWIOUMGB-UHFFFAOYSA-N -1 3 216.216 0.892 20 0 BCADHM CCOc1nnc(NC(=O)CCCF)[n-]1 ZINC000830409074 587550555 /nfs/dbraw/zinc/55/05/55/587550555.db2.gz ZRVRMNHWIOUMGB-UHFFFAOYSA-N -1 3 216.216 0.892 20 0 BCADHM CCOc1n[n-]c(NC(=O)CCCF)n1 ZINC000830409074 587550557 /nfs/dbraw/zinc/55/05/57/587550557.db2.gz ZRVRMNHWIOUMGB-UHFFFAOYSA-N -1 3 216.216 0.892 20 0 BCADHM Cc1cc(=O)[n-]c(CN2CN(C)C(=O)[C@@H]2C)n1 ZINC000830793327 587570648 /nfs/dbraw/zinc/57/06/48/587570648.db2.gz OPJIEAKSVUJJIT-QMMMGPOBSA-N -1 3 236.275 0.111 20 0 BCADHM COC(=O)/C(C)=C/CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000831052936 587584139 /nfs/dbraw/zinc/58/41/39/587584139.db2.gz FVQSONBAIQIVCT-OXFRDRNISA-N -1 3 241.287 0.902 20 0 BCADHM COC(=O)/C(C)=C\CN(C)C[C@@H](C)C(=O)[O-] ZINC000831052766 587584283 /nfs/dbraw/zinc/58/42/83/587584283.db2.gz AKRTZAUODYOVSL-BZJXQOFCSA-N -1 3 229.276 0.758 20 0 BCADHM NC(=O)CC[C@H]1CCCN(CCNC(=O)[O-])C1 ZINC000831184082 587590150 /nfs/dbraw/zinc/59/01/50/587590150.db2.gz FBQSMQFBBRBAJC-SECBINFHSA-N -1 3 243.307 0.232 20 0 BCADHM CCCON=C([O-])Nc1cncnc1OC ZINC000831554855 587619118 /nfs/dbraw/zinc/61/91/18/587619118.db2.gz UOZWICMPWJMWDA-UHFFFAOYSA-N -1 3 226.236 0.948 20 0 BCADHM CCCO[N-]C(=O)Nc1cncnc1OC ZINC000831554855 587619120 /nfs/dbraw/zinc/61/91/20/587619120.db2.gz UOZWICMPWJMWDA-UHFFFAOYSA-N -1 3 226.236 0.948 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000831651652 587626192 /nfs/dbraw/zinc/62/61/92/587626192.db2.gz IHTQXEHDZRBBKI-JZYVYDRUSA-N -1 3 240.303 0.736 20 0 BCADHM CCCON=C([O-])Nc1ccnc(OC)n1 ZINC000831694072 587627385 /nfs/dbraw/zinc/62/73/85/587627385.db2.gz IIGSXCVCIBRDTJ-UHFFFAOYSA-N -1 3 226.236 0.948 20 0 BCADHM CCCO[N-]C(=O)Nc1ccnc(OC)n1 ZINC000831694072 587627386 /nfs/dbraw/zinc/62/73/86/587627386.db2.gz IIGSXCVCIBRDTJ-UHFFFAOYSA-N -1 3 226.236 0.948 20 0 BCADHM CCCON=C([O-])Nc1nc(C)n(C)n1 ZINC000831827688 587633385 /nfs/dbraw/zinc/63/33/85/587633385.db2.gz SXXNWBKHVGDVQK-UHFFFAOYSA-N -1 3 213.241 0.587 20 0 BCADHM CCCO[N-]C(=O)Nc1nc(C)n(C)n1 ZINC000831827688 587633386 /nfs/dbraw/zinc/63/33/86/587633386.db2.gz SXXNWBKHVGDVQK-UHFFFAOYSA-N -1 3 213.241 0.587 20 0 BCADHM O=C(NCC[C@@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000831990147 587641778 /nfs/dbraw/zinc/64/17/78/587641778.db2.gz BBTJMRISXROEEI-VIFPVBQESA-N -1 3 248.282 0.648 20 0 BCADHM O=C([O-])N1CCCN(CC2(O)CCC2)CC1 ZINC000832015777 587642765 /nfs/dbraw/zinc/64/27/65/587642765.db2.gz ZEKYZZVXZWEWLT-UHFFFAOYSA-N -1 3 228.292 0.587 20 0 BCADHM CN(C(=O)c1ccc(N)cc1[O-])C1CC(O)C1 ZINC000832110127 587645663 /nfs/dbraw/zinc/64/56/63/587645663.db2.gz YTTJGMUZFZABRI-UHFFFAOYSA-N -1 3 236.271 0.570 20 0 BCADHM CCC(F)(F)C(=O)[N-]c1nncn1C ZINC000832226315 587648846 /nfs/dbraw/zinc/64/88/46/587648846.db2.gz AEUYYQMGXVQESU-UHFFFAOYSA-N -1 3 204.180 0.799 20 0 BCADHM O=C([O-])N[C@H]1CCCN(CC2(O)CCC2)C1 ZINC000832366663 587656228 /nfs/dbraw/zinc/65/62/28/587656228.db2.gz WGJSWWQOAIASOS-VIFPVBQESA-N -1 3 228.292 0.633 20 0 BCADHM CC(=O)c1ccc(C(=O)NOCCO)cc1[O-] ZINC000832405380 587658497 /nfs/dbraw/zinc/65/84/97/587658497.db2.gz JBPFEGIMUWAKCJ-UHFFFAOYSA-N -1 3 239.227 0.249 20 0 BCADHM O=C([O-])NC[C@@H]1CCCN1CCn1cccn1 ZINC000832573707 587667522 /nfs/dbraw/zinc/66/75/22/587667522.db2.gz QTGQPNCSRCVOGY-JTQLQIEISA-N -1 3 238.291 0.615 20 0 BCADHM O=C([O-])NCCN1CCC[C@H]1Cn1cncn1 ZINC000832641969 587672512 /nfs/dbraw/zinc/67/25/12/587672512.db2.gz QDAGBEUJSUOFAL-VIFPVBQESA-N -1 3 239.279 0.010 20 0 BCADHM CCC[C@@H](O)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000832696955 587677755 /nfs/dbraw/zinc/67/77/55/587677755.db2.gz ZWXZXDXZGLBGBX-MRVPVSSYSA-N -1 3 239.275 0.463 20 0 BCADHM C#CCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000095117988 598830816 /nfs/dbraw/zinc/83/08/16/598830816.db2.gz VRIOBTXBIRHLGX-UHFFFAOYSA-N -1 3 214.232 0.697 20 0 BCADHM C#CCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000095117988 598830817 /nfs/dbraw/zinc/83/08/17/598830817.db2.gz VRIOBTXBIRHLGX-UHFFFAOYSA-N -1 3 214.232 0.697 20 0 BCADHM O=C([O-])C[C@H]1CCCN1CN1CCCC1=O ZINC000833210395 587702630 /nfs/dbraw/zinc/70/26/30/587702630.db2.gz IZPFELNUGUQYRU-SECBINFHSA-N -1 3 226.276 0.505 20 0 BCADHM O=C([O-])CN1CCN(c2cccc(F)n2)CC1 ZINC000833249766 587703320 /nfs/dbraw/zinc/70/33/20/587703320.db2.gz MTQWBASEWFVEBL-UHFFFAOYSA-N -1 3 239.250 0.427 20 0 BCADHM C/C(=C\CN(C)CCc1cnccn1)C(=O)[O-] ZINC000833383524 587712421 /nfs/dbraw/zinc/71/24/21/587712421.db2.gz OHAREGRBTXQGMV-XCVCLJGOSA-N -1 3 235.287 0.982 20 0 BCADHM C/C(=C/CN(C)CCc1cnccn1)C(=O)[O-] ZINC000833383521 587712527 /nfs/dbraw/zinc/71/25/27/587712527.db2.gz OHAREGRBTXQGMV-KMKOMSMNSA-N -1 3 235.287 0.982 20 0 BCADHM C/C(=C\CN(C)CCNC(=O)N(C)C)C(=O)[O-] ZINC000833385681 587712661 /nfs/dbraw/zinc/71/26/61/587712661.db2.gz XBUINWVBOQEXOP-WEVVVXLNSA-N -1 3 243.307 0.220 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2CCCOCC2)O1 ZINC000833579258 587720939 /nfs/dbraw/zinc/72/09/39/587720939.db2.gz LKTYDWWZHQVZLD-SNVBAGLBSA-N -1 3 241.287 0.856 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN2CC[C@](C)(O)C2)O1 ZINC000833583307 587721708 /nfs/dbraw/zinc/72/17/08/587721708.db2.gz JGGNPZPVJSMMFO-CABZTGNLSA-N -1 3 241.287 0.591 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(O)CC2)O1 ZINC000833586089 587721717 /nfs/dbraw/zinc/72/17/17/587721717.db2.gz WXDNZLBDRBQOMG-SNVBAGLBSA-N -1 3 241.287 0.591 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@H](O)C2)O1 ZINC000833584159 587721843 /nfs/dbraw/zinc/72/18/43/587721843.db2.gz LZURWNJRXIICHU-UWVGGRQHSA-N -1 3 241.287 0.591 20 0 BCADHM C[C@H]1CN(CCC(=O)[O-])CCN1CC1CC1 ZINC000833629234 587725232 /nfs/dbraw/zinc/72/52/32/587725232.db2.gz SQWQSFRJRRCGTC-JTQLQIEISA-N -1 3 226.320 0.877 20 0 BCADHM CCN(CC1CC1)CN1C[C@@H](C(=O)[O-])CC1=O ZINC000833654377 587726995 /nfs/dbraw/zinc/72/69/95/587726995.db2.gz NAQXQJWXHCUQOI-JTQLQIEISA-N -1 3 240.303 0.609 20 0 BCADHM COC[C@](C)(CO)NCc1ccc(C(=O)[O-])[nH]1 ZINC000833722100 587729520 /nfs/dbraw/zinc/72/95/20/587729520.db2.gz ZXVOOUWOBUAYRU-NSHDSACASA-N -1 3 242.275 0.200 20 0 BCADHM CC(C)N(C)CC(=O)NC[C@H](C)CNC(=O)[O-] ZINC000833809027 587733647 /nfs/dbraw/zinc/73/36/47/587733647.db2.gz IFPKPQXBLSGICX-VIFPVBQESA-N -1 3 245.323 0.347 20 0 BCADHM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(C)C ZINC000833827587 587734697 /nfs/dbraw/zinc/73/46/97/587734697.db2.gz BLQGUPHQZOHGKS-RKDXNWHRSA-N -1 3 243.307 0.053 20 0 BCADHM CCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000833860373 587737011 /nfs/dbraw/zinc/73/70/11/587737011.db2.gz SXHDGWXTTOACRT-BDAKNGLRSA-N -1 3 243.307 0.243 20 0 BCADHM Cn1cc(CNCC2(NC(=O)[O-])CCC2)cn1 ZINC000833947673 587739376 /nfs/dbraw/zinc/73/93/76/587739376.db2.gz WYBQHUBYFJUBGJ-UHFFFAOYSA-N -1 3 238.291 0.700 20 0 BCADHM O=C([O-])N1CC[C@H](N(CCCO)C2CC2)C1 ZINC000834084466 587744732 /nfs/dbraw/zinc/74/47/32/587744732.db2.gz UCHMSLJXNJLNMP-JTQLQIEISA-N -1 3 228.292 0.586 20 0 BCADHM O=C([O-])N[C@@H](CNCc1cncnc1)C1CC1 ZINC000834148697 587747280 /nfs/dbraw/zinc/74/72/80/587747280.db2.gz BEFLVKNVKVVEGC-JTQLQIEISA-N -1 3 236.275 0.612 20 0 BCADHM O=C([O-])NC[C@H]1CCCN([C@@H]2CCOC2)C1 ZINC000834222484 587749268 /nfs/dbraw/zinc/74/92/68/587749268.db2.gz YHJWDYSJXFTJRW-NXEZZACHSA-N -1 3 228.292 0.755 20 0 BCADHM O=C([O-])NC[C@@H]1CCCN([C@@H]2CCOC2)C1 ZINC000834222486 587749271 /nfs/dbraw/zinc/74/92/71/587749271.db2.gz YHJWDYSJXFTJRW-VHSXEESVSA-N -1 3 228.292 0.755 20 0 BCADHM O=C([O-])NCCN1CCN2CCCC[C@@H]2C1 ZINC000834239853 587749763 /nfs/dbraw/zinc/74/97/63/587749763.db2.gz QANKPWLLYIRYGR-SNVBAGLBSA-N -1 3 227.308 0.424 20 0 BCADHM O=C([O-])NCCN1CCC(CCCO)CC1 ZINC000834239229 587749844 /nfs/dbraw/zinc/74/98/44/587749844.db2.gz HPUFZJYJHKTWRT-UHFFFAOYSA-N -1 3 230.308 0.739 20 0 BCADHM O=C([O-])Nc1ccc(CNC2(CO)CC2)cn1 ZINC000834260832 587750437 /nfs/dbraw/zinc/75/04/37/587750437.db2.gz YXWVQCXOWRMUGD-UHFFFAOYSA-N -1 3 237.259 0.786 20 0 BCADHM CC(C)(O)CO[N-]C(=O)c1cccnc1F ZINC000834622356 587761310 /nfs/dbraw/zinc/76/13/10/587761310.db2.gz VCGUVQWVDHDCKV-UHFFFAOYSA-N -1 3 228.223 0.653 20 0 BCADHM CC(C)(O)CONC(=O)c1ccc(O)cc1[O-] ZINC000834622433 587761571 /nfs/dbraw/zinc/76/15/71/587761571.db2.gz YNXPZRGPWOWPRJ-UHFFFAOYSA-N -1 3 241.243 0.530 20 0 BCADHM CC(C)(O)CONC(=O)c1cccc([O-])c1 ZINC000834628537 587761832 /nfs/dbraw/zinc/76/18/32/587761832.db2.gz QDMNAUQQMWHUCY-UHFFFAOYSA-N -1 3 225.244 0.825 20 0 BCADHM Cn1cc(/C=C\C(=O)[N-]OCC(C)(C)O)cn1 ZINC000834628266 587761939 /nfs/dbraw/zinc/76/19/39/587761939.db2.gz DLQKGYIRTMBXQF-PLNGDYQASA-N -1 3 239.275 0.252 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2c[n-]nn2)CCS1 ZINC000834682497 587764091 /nfs/dbraw/zinc/76/40/91/587764091.db2.gz HQQGXYDQWCWUOZ-RNFRBKRXSA-N -1 3 226.305 0.819 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cnn[n-]2)CCS1 ZINC000834682497 587764092 /nfs/dbraw/zinc/76/40/92/587764092.db2.gz HQQGXYDQWCWUOZ-RNFRBKRXSA-N -1 3 226.305 0.819 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cn[n-]n2)CCS1 ZINC000834682497 587764093 /nfs/dbraw/zinc/76/40/93/587764093.db2.gz HQQGXYDQWCWUOZ-RNFRBKRXSA-N -1 3 226.305 0.819 20 0 BCADHM CC1=NO[C@H](C(=O)NCc2ncccc2[O-])C1 ZINC000834782669 587767015 /nfs/dbraw/zinc/76/70/15/587767015.db2.gz YVTPRRBQYHTQEM-JTQLQIEISA-N -1 3 235.243 0.568 20 0 BCADHM CC/C=C(\F)C(=O)[N-]N1CC(=O)N(C)C1=O ZINC000867139360 587815831 /nfs/dbraw/zinc/81/58/31/587815831.db2.gz JPGDOGXOHPVRAV-XQRVVYSFSA-N -1 3 229.211 0.175 20 0 BCADHM CSCCCC(=O)[N-]OC(C)(C)CO ZINC000836802650 587837758 /nfs/dbraw/zinc/83/77/58/587837758.db2.gz CXQYPYWLCDJXFU-UHFFFAOYSA-N -1 3 221.322 0.948 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C[C@H]1CCCCO1 ZINC000836804978 587837870 /nfs/dbraw/zinc/83/78/70/587837870.db2.gz PPPQMVCMMBZNPB-SECBINFHSA-N -1 3 231.292 0.764 20 0 BCADHM C[C@H]1CC[C@H](C)N1CC(=O)[N-]OC(C)(C)CO ZINC000836804373 587837901 /nfs/dbraw/zinc/83/79/01/587837901.db2.gz YHAVEFMCVOCXRA-UWVGGRQHSA-N -1 3 244.335 0.678 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@@H]1CC12CCC2 ZINC000836805255 587837948 /nfs/dbraw/zinc/83/79/48/587837948.db2.gz WPRQKWQRHAXCHS-QMMMGPOBSA-N -1 3 213.277 0.995 20 0 BCADHM CCCN(C)CC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836896602 587842022 /nfs/dbraw/zinc/84/20/22/587842022.db2.gz LEXIRXNRUGEKHC-JTQLQIEISA-N -1 3 232.324 0.393 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CN(C)C(C)C ZINC000836898809 587842162 /nfs/dbraw/zinc/84/21/62/587842162.db2.gz OPGOUPWRINJYFI-JTQLQIEISA-N -1 3 232.324 0.391 20 0 BCADHM CCCN(C)CC(=O)[N-]O[C@H](CO)C(C)C ZINC000836896604 587842196 /nfs/dbraw/zinc/84/21/96/587842196.db2.gz LEXIRXNRUGEKHC-SNVBAGLBSA-N -1 3 232.324 0.393 20 0 BCADHM CO[C@H](C)CC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836896058 587842209 /nfs/dbraw/zinc/84/22/09/587842209.db2.gz HJEBBRIZINYETM-BDAKNGLRSA-N -1 3 219.281 0.476 20 0 BCADHM CO[C@@H](C)CC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836896063 587842233 /nfs/dbraw/zinc/84/22/33/587842233.db2.gz HJEBBRIZINYETM-IUCAKERBSA-N -1 3 219.281 0.476 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CCn1cccn1 ZINC000836901837 587842410 /nfs/dbraw/zinc/84/24/10/587842410.db2.gz JZOFRPDEZAWNSF-SNVBAGLBSA-N -1 3 241.291 0.338 20 0 BCADHM CC(C)n1cc([N-]S(N)(=O)=O)cn1 ZINC000102713591 587854322 /nfs/dbraw/zinc/85/43/22/587854322.db2.gz TXBBANCYXGAYOU-UHFFFAOYSA-N -1 3 204.255 0.079 20 0 BCADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867223009 587860373 /nfs/dbraw/zinc/86/03/73/587860373.db2.gz AXOWKQGLVILUKU-RNFRBKRXSA-N -1 3 240.350 0.347 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@]1(C)CCCCO1 ZINC000837676492 587890215 /nfs/dbraw/zinc/89/02/15/587890215.db2.gz KEXQXTXGRCBBDR-NSHDSACASA-N -1 3 230.308 0.555 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-][C@H]1CCC1(C)C ZINC000867268239 587973836 /nfs/dbraw/zinc/97/38/36/587973836.db2.gz OODVBXDGCCJANX-ZETCQYMHSA-N -1 3 244.320 0.282 20 0 BCADHM C[C@@H]1NCCN(C(=O)c2ccc(N)cc2[O-])[C@H]1C ZINC000841850246 587978060 /nfs/dbraw/zinc/97/80/60/587978060.db2.gz GIYPXUWDCKABBQ-IUCAKERBSA-N -1 3 249.314 0.797 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2COC(=O)C2)o1 ZINC000867288149 588007129 /nfs/dbraw/zinc/00/71/29/588007129.db2.gz PTGJVMKQPDTUIV-ZETCQYMHSA-N -1 3 245.256 0.182 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CCCCF)nn1 ZINC000867288161 588007223 /nfs/dbraw/zinc/00/72/23/588007223.db2.gz OTQSUXGOHHTQCT-UHFFFAOYSA-N -1 3 247.295 0.813 20 0 BCADHM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCC(=O)C1 ZINC000843782113 588139615 /nfs/dbraw/zinc/13/96/15/588139615.db2.gz PLBYZVFJZCJJSP-PSASIEDQSA-N -1 3 227.260 0.930 20 0 BCADHM COCCO[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000843815820 588142650 /nfs/dbraw/zinc/14/26/50/588142650.db2.gz YKTOARYNFBLXDX-UHFFFAOYSA-N -1 3 243.259 0.024 20 0 BCADHM COC(=O)C12CC(C(=O)[N-]OC3CCC3)(C1)C2 ZINC000843899237 588148651 /nfs/dbraw/zinc/14/86/51/588148651.db2.gz DLEZIPOSRSTZTO-UHFFFAOYSA-N -1 3 239.271 0.930 20 0 BCADHM COC(=O)C12CC(C(=O)[N-]OC(C)C)(C1)C2 ZINC000843899616 588149303 /nfs/dbraw/zinc/14/93/03/588149303.db2.gz MADJCNPHUUEYHG-UHFFFAOYSA-N -1 3 227.260 0.786 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1CCC(=O)C1 ZINC000843905228 588149814 /nfs/dbraw/zinc/14/98/14/588149814.db2.gz VLPCLEWEFGNIIX-WPRPVWTQSA-N -1 3 229.276 0.420 20 0 BCADHM CC(C)(C)N1CC[C@@H]([N-]C(=O)C(F)F)C1=O ZINC000843943375 588150967 /nfs/dbraw/zinc/15/09/67/588150967.db2.gz XHKCBFBIZBCEHC-ZCFIWIBFSA-N -1 3 234.246 0.767 20 0 BCADHM CC(C)(C)N1CC[C@H]([N-]C(=O)C(F)F)C1=O ZINC000843943374 588151074 /nfs/dbraw/zinc/15/10/74/588151074.db2.gz XHKCBFBIZBCEHC-LURJTMIESA-N -1 3 234.246 0.767 20 0 BCADHM CCCO[N-]C(=O)CCOCCOC ZINC000844082756 588162030 /nfs/dbraw/zinc/16/20/30/588162030.db2.gz GBMDRGRZKLHYDF-UHFFFAOYSA-N -1 3 205.254 0.497 20 0 BCADHM CCCO[N-]C(=O)CCCNC(=O)C1CC1 ZINC000844082159 588162251 /nfs/dbraw/zinc/16/22/51/588162251.db2.gz IWXFHLUVKPBZCI-UHFFFAOYSA-N -1 3 228.292 0.751 20 0 BCADHM CCCO[N-]C(=O)[C@H]1CCc2nccn2C1 ZINC000844084190 588162923 /nfs/dbraw/zinc/16/29/23/588162923.db2.gz FNRXZOIALNKKCK-VIFPVBQESA-N -1 3 223.276 0.903 20 0 BCADHM CCCO[N-]C(=O)[C@H]1CCc2nncn2C1 ZINC000844088300 588165584 /nfs/dbraw/zinc/16/55/84/588165584.db2.gz NXWYRXKKIDABCY-QMMMGPOBSA-N -1 3 224.264 0.298 20 0 BCADHM CCCO[N-]C(=O)C[C@@H]1CCOC[C@H]1OC ZINC000844090374 588166169 /nfs/dbraw/zinc/16/61/69/588166169.db2.gz OVMRTWVKFPXPII-VHSXEESVSA-N -1 3 231.292 0.886 20 0 BCADHM CCCO[N-]C(=O)CCc1cncnc1 ZINC000844089170 588166412 /nfs/dbraw/zinc/16/64/12/588166412.db2.gz YNYLDQCNJQNXJI-UHFFFAOYSA-N -1 3 209.249 0.867 20 0 BCADHM O=C([N-]OCC1CC1)[C@@H]1CCc2cncn2C1 ZINC000844144336 588170519 /nfs/dbraw/zinc/17/05/19/588170519.db2.gz RZVRPAXWLUVYJR-SNVBAGLBSA-N -1 3 235.287 0.903 20 0 BCADHM CCCO[N-]C(=O)CCCCCNC(N)=O ZINC000844150859 588171094 /nfs/dbraw/zinc/17/10/94/588171094.db2.gz YOESQJDYBYUSNH-UHFFFAOYSA-N -1 3 231.296 0.673 20 0 BCADHM O=C([N-][C@H]1CCn2ccnc21)C(F)F ZINC000844553531 588202085 /nfs/dbraw/zinc/20/20/85/588202085.db2.gz UQFAGUNMPIEGOI-YFKPBYRVSA-N -1 3 201.176 0.709 20 0 BCADHM CCn1ccc(C[N-]C(=O)C(F)F)n1 ZINC000844569935 588202769 /nfs/dbraw/zinc/20/27/69/588202769.db2.gz SYSISERGXIFFHP-UHFFFAOYSA-N -1 3 203.192 0.784 20 0 BCADHM O=C([N-]C1=NCCS1)[C@@H]1CCCO1 ZINC000005382671 588218468 /nfs/dbraw/zinc/21/84/68/588218468.db2.gz XPWGSRWGBMAENV-LURJTMIESA-N -1 3 200.263 0.384 20 0 BCADHM O=C(OC[C@@H]1CCC(=O)N1)c1cncc([O-])c1 ZINC000845113971 588221783 /nfs/dbraw/zinc/22/17/83/588221783.db2.gz GCZPZUNVOCFHAC-QMMMGPOBSA-N -1 3 236.227 0.223 20 0 BCADHM CCCCCOC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845366973 588228205 /nfs/dbraw/zinc/22/82/05/588228205.db2.gz HNQAXSHXVKYMLB-MRVPVSSYSA-N -1 3 235.305 0.412 20 0 BCADHM CC[C@@H](C)COC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845373112 588228337 /nfs/dbraw/zinc/22/83/37/588228337.db2.gz NAEYCEBQPFCYHP-SFYZADRCSA-N -1 3 235.305 0.267 20 0 BCADHM O=C(OCC1=CCCC1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845376170 588228470 /nfs/dbraw/zinc/22/84/70/588228470.db2.gz NULXHWBLHYBKCL-VIFPVBQESA-N -1 3 245.300 0.332 20 0 BCADHM C[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)[N-]1)C1CCC1 ZINC000845480673 588230117 /nfs/dbraw/zinc/23/01/17/588230117.db2.gz LEWLUOXCRADHJS-APPZFPTMSA-N -1 3 247.316 0.410 20 0 BCADHM CC1(OC(=O)[C@@H]2CCS(=O)(=O)[N-]2)CCC1 ZINC000845484268 588230210 /nfs/dbraw/zinc/23/02/10/588230210.db2.gz RJXFCWYQKGZLCR-ZETCQYMHSA-N -1 3 233.289 0.164 20 0 BCADHM CCCC[C@@H](C)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845492104 588230498 /nfs/dbraw/zinc/23/04/98/588230498.db2.gz FDUYIXSGGRYGIV-BDAKNGLRSA-N -1 3 249.332 0.800 20 0 BCADHM O=C(OCCC1CCC1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845512598 588231596 /nfs/dbraw/zinc/23/15/96/588231596.db2.gz ZXIHFBBSZKMDEZ-SECBINFHSA-N -1 3 247.316 0.412 20 0 BCADHM CCC[C@H](C)COC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845528743 588232387 /nfs/dbraw/zinc/23/23/87/588232387.db2.gz GATLRKXKYZWAJV-DTWKUNHWSA-N -1 3 249.332 0.658 20 0 BCADHM CCC(CC)COC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845555596 588233468 /nfs/dbraw/zinc/23/34/68/588233468.db2.gz XCHZBMDVSPOLFW-VIFPVBQESA-N -1 3 249.332 0.658 20 0 BCADHM CCC[C@@H](C)S(=O)(=O)[N-][C@@]1(C)CCOC1=O ZINC000845936628 588250851 /nfs/dbraw/zinc/25/08/51/588250851.db2.gz MHYGJCAGRLWHAM-SCZZXKLOSA-N -1 3 249.332 0.800 20 0 BCADHM COC/C(C)=C/C(=O)[N-]OC[C@@H]1CCOC1 ZINC000845997058 588252914 /nfs/dbraw/zinc/25/29/14/588252914.db2.gz XFHHYDNLWOKSGU-NAZIUFLLSA-N -1 3 229.276 0.663 20 0 BCADHM CCO[N-]C(=O)CNCc1cnc(CC)s1 ZINC000846087578 588255961 /nfs/dbraw/zinc/25/59/61/588255961.db2.gz GANZPPYDLVHTRE-UHFFFAOYSA-N -1 3 243.332 0.863 20 0 BCADHM CCO[N-]C(=O)CNCc1cncs1 ZINC000846087471 588256037 /nfs/dbraw/zinc/25/60/37/588256037.db2.gz UCOMWTVPPUVAFD-UHFFFAOYSA-N -1 3 215.278 0.300 20 0 BCADHM CCCn1cc(CNCC(=O)[N-]OCC)cn1 ZINC000846087004 588256064 /nfs/dbraw/zinc/25/60/64/588256064.db2.gz CQZLCTDFVITBNG-UHFFFAOYSA-N -1 3 240.307 0.450 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc(CC)o1 ZINC000846087509 588256079 /nfs/dbraw/zinc/25/60/79/588256079.db2.gz DKXKWFLJOYCGQY-UHFFFAOYSA-N -1 3 226.276 0.999 20 0 BCADHM CCO[N-]C(=O)CNCCSCC ZINC000846090993 588256484 /nfs/dbraw/zinc/25/64/84/588256484.db2.gz HMZWANOQDSUVRQ-UHFFFAOYSA-N -1 3 206.311 0.397 20 0 BCADHM O=C([N-]OCC1CC1)[C@@H]1CCCS(=O)(=O)C1 ZINC000846219430 588260905 /nfs/dbraw/zinc/26/09/05/588260905.db2.gz QQNUCBAJCJRAPR-SECBINFHSA-N -1 3 247.316 0.269 20 0 BCADHM COC/C(C)=C/C(=O)[N-]OC(C)(C)CO ZINC000846238816 588262167 /nfs/dbraw/zinc/26/21/67/588262167.db2.gz ONXVFDBZOCRGQS-VMPITWQZSA-N -1 3 217.265 0.398 20 0 BCADHM C=C=CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000867469008 588265360 /nfs/dbraw/zinc/26/53/60/588265360.db2.gz ZDSAEZWYZIDZLD-UHFFFAOYSA-N -1 3 227.289 0.348 20 0 BCADHM COC(=O)[C@@H](CCF)[N-]C(=O)C(C)(F)F ZINC000846429124 588265592 /nfs/dbraw/zinc/26/55/92/588265592.db2.gz RMWQESNIACJZLN-RXMQYKEDSA-N -1 3 227.182 0.659 20 0 BCADHM CO[C@H](C(=O)[N-]OC1CCN(C)CC1)C1CC1 ZINC000846649700 588280730 /nfs/dbraw/zinc/28/07/30/588280730.db2.gz GVMYKCQEOFYNTF-NSHDSACASA-N -1 3 242.319 0.553 20 0 BCADHM CN1CCC(O[N-]C(=O)C2(C)COC2)CC1 ZINC000846649757 588280996 /nfs/dbraw/zinc/28/09/96/588280996.db2.gz JKESISDSJROCKB-UHFFFAOYSA-N -1 3 228.292 0.165 20 0 BCADHM NC(=O)[C@H]1CC[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000847588350 588317814 /nfs/dbraw/zinc/31/78/14/588317814.db2.gz MIBQLMJCPVQKAJ-CRCLSJGQSA-N -1 3 240.181 0.108 20 0 BCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)[N-]OCc1cccnc1 ZINC000847599842 588318257 /nfs/dbraw/zinc/31/82/57/588318257.db2.gz TVNCCTIPWLKDEE-UWVGGRQHSA-N -1 3 249.270 0.141 20 0 BCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OC1CCCC1 ZINC000847661632 588324447 /nfs/dbraw/zinc/32/44/47/588324447.db2.gz FKWBMAUPZQNJRI-BDAKNGLRSA-N -1 3 226.276 0.488 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]OCC(F)F)C1 ZINC000847735897 588328215 /nfs/dbraw/zinc/32/82/15/588328215.db2.gz YDKKYXHXMGBFQM-ZETCQYMHSA-N -1 3 222.235 0.641 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]OC[C@H]2CCOC2)C1 ZINC000847880253 588341996 /nfs/dbraw/zinc/34/19/96/588341996.db2.gz GSCQESWIORANFZ-MNOVXSKESA-N -1 3 242.319 0.413 20 0 BCADHM CC1=NC(=O)NC1C(=O)[N-]OCCOC(C)C ZINC000848108551 588356264 /nfs/dbraw/zinc/35/62/64/588356264.db2.gz OZEFJVLSWOCQEY-UHFFFAOYSA-N -1 3 243.263 0.510 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000848120423 588359040 /nfs/dbraw/zinc/35/90/40/588359040.db2.gz GVFRHRLYWBYPDT-XHNCKOQMSA-N -1 3 228.292 0.592 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]OC(C)(C)CO)C1 ZINC000848162846 588362839 /nfs/dbraw/zinc/36/28/39/588362839.db2.gz TUUJAVFSNKBELV-SECBINFHSA-N -1 3 230.308 0.147 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]C2=NC[C@H](C)S2)C1 ZINC000848234711 588366362 /nfs/dbraw/zinc/36/63/62/588366362.db2.gz YQXWZPGUDAKVBA-IUCAKERBSA-N -1 3 241.360 0.936 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@H](CO)C1CC1 ZINC000848372970 588374304 /nfs/dbraw/zinc/37/43/04/588374304.db2.gz JYCSXHFEFPIXIB-LLVKDONJSA-N -1 3 236.271 0.217 20 0 BCADHM CCOCCO[N-]C(=O)Cc1cncc(O)c1 ZINC000848374238 588374342 /nfs/dbraw/zinc/37/43/42/588374342.db2.gz WEOFOYXBPAPEIS-UHFFFAOYSA-N -1 3 240.259 0.414 20 0 BCADHM Cc1cnc(CN2CC3CC2(C(=O)[O-])C3)cn1 ZINC000849344553 588473810 /nfs/dbraw/zinc/47/38/10/588473810.db2.gz OOQJCCXEYDNXQH-UHFFFAOYSA-N -1 3 233.271 0.834 20 0 BCADHM CON(C)CC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000849408638 588477426 /nfs/dbraw/zinc/47/74/26/588477426.db2.gz UQPDLLRRQIMGAK-UHFFFAOYSA-N -1 3 248.304 0.360 20 0 BCADHM Cc1nc(S(=O)(=O)[N-][C@H]2C=CCC2)cn1C ZINC000849430291 588478848 /nfs/dbraw/zinc/47/88/48/588478848.db2.gz LHSWISKXKRORIV-VIFPVBQESA-N -1 3 241.316 0.725 20 0 BCADHM CC(=O)[C@@H](C)CCOC(=O)c1n[n-]nc1C ZINC000849768442 588495860 /nfs/dbraw/zinc/49/58/60/588495860.db2.gz NMWUSWFETHDJON-LURJTMIESA-N -1 3 225.248 0.885 20 0 BCADHM CC1(C)C[C@@H](OC(=O)c2cnn[n-]2)CO1 ZINC000849776548 588497320 /nfs/dbraw/zinc/49/73/20/588497320.db2.gz MCKJGXGJGLGGTK-ZCFIWIBFSA-N -1 3 211.221 0.529 20 0 BCADHM CC1(C)C[C@@H](OC(=O)c2c[n-]nn2)CO1 ZINC000849776548 588497321 /nfs/dbraw/zinc/49/73/21/588497321.db2.gz MCKJGXGJGLGGTK-ZCFIWIBFSA-N -1 3 211.221 0.529 20 0 BCADHM CC(C)=CCCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000849895117 588508452 /nfs/dbraw/zinc/50/84/52/588508452.db2.gz GVXJKSDEQUQWKX-SECBINFHSA-N -1 3 246.332 0.750 20 0 BCADHM OC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000095143321 598856307 /nfs/dbraw/zinc/85/63/07/598856307.db2.gz ARLVQWDPLYDAFR-MRVPVSSYSA-N -1 3 246.274 0.080 20 0 BCADHM OC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000095143321 598856309 /nfs/dbraw/zinc/85/63/09/598856309.db2.gz ARLVQWDPLYDAFR-MRVPVSSYSA-N -1 3 246.274 0.080 20 0 BCADHM CC(C)OC[C@H](N)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000852799474 588704051 /nfs/dbraw/zinc/70/40/51/588704051.db2.gz HEKPCKCNZYYEKB-VHSXEESVSA-N -1 3 246.307 0.313 20 0 BCADHM CC(C)O[N-]C(=O)CN(C)C1CCC1 ZINC000863921099 589326418 /nfs/dbraw/zinc/32/64/18/589326418.db2.gz UHJIHAKNSVIFQQ-UHFFFAOYSA-N -1 3 200.282 0.927 20 0 BCADHM C[C@@H](C(=O)[N-]OCC(F)F)[C@H]1CCC(=O)N1 ZINC000860812174 589121649 /nfs/dbraw/zinc/12/16/49/589121649.db2.gz RITGBUQELVTKPK-PHDIDXHHSA-N -1 3 236.218 0.214 20 0 BCADHM O=C(NC[C@H]1CCC=CO1)c1cc(=O)[n-]cn1 ZINC000861176217 589148136 /nfs/dbraw/zinc/14/81/36/589148136.db2.gz ZPJBNEXGVFIRAX-MRVPVSSYSA-N -1 3 235.243 0.605 20 0 BCADHM COCCON=C([O-])Nc1cc(OC)n[nH]1 ZINC000861381550 589162400 /nfs/dbraw/zinc/16/24/00/589162400.db2.gz QMEJYEHMHMHFSP-UHFFFAOYSA-N -1 3 230.224 0.118 20 0 BCADHM COCCO[N-]C(=O)Nc1cc(OC)n[nH]1 ZINC000861381550 589162401 /nfs/dbraw/zinc/16/24/01/589162401.db2.gz QMEJYEHMHMHFSP-UHFFFAOYSA-N -1 3 230.224 0.118 20 0 BCADHM CSCCO[N-]C(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC000861470993 589166479 /nfs/dbraw/zinc/16/64/79/589166479.db2.gz PUIDMHYBUUEWAT-JGVFFNPUSA-N -1 3 246.332 0.312 20 0 BCADHM C[C@H](C(=O)[N-]OCCC1CC1)[C@H]1CCC(=O)N1 ZINC000861823241 589179610 /nfs/dbraw/zinc/17/96/10/589179610.db2.gz HCJLEFUIDXJMIO-WCBMZHEXSA-N -1 3 240.303 0.749 20 0 BCADHM CC1=NO[C@@H](CNC(=O)c2cc(=O)[n-]cn2)C1 ZINC000861889689 589182193 /nfs/dbraw/zinc/18/21/93/589182193.db2.gz HMBNPWRFXUEAIG-SSDOTTSWSA-N -1 3 236.231 0.077 20 0 BCADHM OCCCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000738394105 598862214 /nfs/dbraw/zinc/86/22/14/598862214.db2.gz OYWNBBKROCIGBQ-UHFFFAOYSA-N -1 3 238.222 0.767 20 0 BCADHM OCCCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000738394105 598862216 /nfs/dbraw/zinc/86/22/16/598862216.db2.gz OYWNBBKROCIGBQ-UHFFFAOYSA-N -1 3 238.222 0.767 20 0 BCADHM O=C([N-]OCCN1CCCC1=O)C12CC(C1)C2 ZINC000862217789 589195306 /nfs/dbraw/zinc/19/53/06/589195306.db2.gz SGZJMSDWEKBMAV-UHFFFAOYSA-N -1 3 238.287 0.457 20 0 BCADHM C[C@@H](C(=O)[N-]OCC1CCC1)[C@@H]1CCC(=O)N1 ZINC000862233540 589196111 /nfs/dbraw/zinc/19/61/11/589196111.db2.gz YHMSCFWSVCRIEW-SCZZXKLOSA-N -1 3 240.303 0.749 20 0 BCADHM CCn1ncc(C[N-]C(=O)C(F)F)n1 ZINC000862388129 589207293 /nfs/dbraw/zinc/20/72/93/589207293.db2.gz WMINLIIOPQJESS-UHFFFAOYSA-N -1 3 204.180 0.179 20 0 BCADHM CCON(CC)C(=O)C[N-]C(=O)C(C)(F)F ZINC000862622846 589229070 /nfs/dbraw/zinc/22/90/70/589229070.db2.gz JPNZOYROKCAJII-UHFFFAOYSA-N -1 3 238.234 0.558 20 0 BCADHM O=C([N-]N1CCOC1=O)[C@@H]1CC1(Cl)Cl ZINC000862695281 589233159 /nfs/dbraw/zinc/23/31/59/589233159.db2.gz GWMNDXLFWCNAIB-BYPYZUCNSA-N -1 3 239.058 0.664 20 0 BCADHM C[C@H](C(=O)[N-]N1CCOC1=O)C(F)(F)F ZINC000862701148 589233883 /nfs/dbraw/zinc/23/38/83/589233883.db2.gz NDZHRWXBWIWKMD-SCSAIBSYSA-N -1 3 226.154 0.668 20 0 BCADHM C[C@@H](C(=O)[N-]N1CCOC1=O)C(F)(F)F ZINC000862701147 589234046 /nfs/dbraw/zinc/23/40/46/589234046.db2.gz NDZHRWXBWIWKMD-BYPYZUCNSA-N -1 3 226.154 0.668 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1C[C@@H]1C[C@H]1C ZINC000863329216 589280833 /nfs/dbraw/zinc/28/08/33/589280833.db2.gz MMVCGEUKZBWDAZ-PRJMDXOYSA-N -1 3 232.305 0.050 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1C[C@H]1C[C@H]1C ZINC000863329213 589280878 /nfs/dbraw/zinc/28/08/78/589280878.db2.gz MMVCGEUKZBWDAZ-BWZBUEFSSA-N -1 3 232.305 0.050 20 0 BCADHM C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000119479044 589289105 /nfs/dbraw/zinc/28/91/05/589289105.db2.gz QRNPHCQKBFNKEW-UHFFFAOYSA-N -1 3 247.247 0.520 20 0 BCADHM CC(C)(C(=O)[O-])N1CCN(CCF)CC1 ZINC000863468980 589290628 /nfs/dbraw/zinc/29/06/28/589290628.db2.gz IXIYKPCKQDULFT-UHFFFAOYSA-N -1 3 218.272 0.437 20 0 BCADHM CC(F)(F)C(=O)[N-][C@H]1CCN(C2CCC2)C1=O ZINC000863526382 589296326 /nfs/dbraw/zinc/29/63/26/589296326.db2.gz WGONTJARVKJBKB-QMMMGPOBSA-N -1 3 246.257 0.911 20 0 BCADHM CN(CCC(=O)[O-])c1ccnc(CO)c1 ZINC000863733658 589313745 /nfs/dbraw/zinc/31/37/45/589313745.db2.gz UQXHDORRCNJGDM-UHFFFAOYSA-N -1 3 210.233 0.485 20 0 BCADHM O=C([O-])C1CCN(c2ccnc(CO)c2)CC1 ZINC000863732353 589314062 /nfs/dbraw/zinc/31/40/62/589314062.db2.gz RHFHDUNTJXKSIK-UHFFFAOYSA-N -1 3 236.271 0.875 20 0 BCADHM COCCCO[N-]C(=O)CN(C)C1CCC1 ZINC000863916550 589325698 /nfs/dbraw/zinc/32/56/98/589325698.db2.gz UPJURSRBDDFQPF-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM O=C([N-]C1=NCCS1)C1CSC1 ZINC000864603549 589382260 /nfs/dbraw/zinc/38/22/60/589382260.db2.gz AXTXADRQRMNHGR-UHFFFAOYSA-N -1 3 202.304 0.568 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CC[C@H]1C(=O)NOCC ZINC000864688761 589389909 /nfs/dbraw/zinc/38/99/09/589389909.db2.gz HAPQZQAGGXGJBR-HTQZYQBOSA-N -1 3 230.264 0.148 20 0 BCADHM CO[N-]C(=O)Cc1ccc(OC)c(O)c1 ZINC000864748056 589392438 /nfs/dbraw/zinc/39/24/38/589392438.db2.gz JLKAKTVGYRHMGU-UHFFFAOYSA-N -1 3 211.217 0.621 20 0 BCADHM CCO[C@@H]1COCC[C@H]1CC(=O)[N-]OC ZINC000864748994 589392623 /nfs/dbraw/zinc/39/26/23/589392623.db2.gz UGHJAXOKWVINPF-DTWKUNHWSA-N -1 3 217.265 0.496 20 0 BCADHM Cc1nnc([N-][C@H](C)c2nnnn2C2CC2)o1 ZINC000866154451 589478256 /nfs/dbraw/zinc/47/82/56/589478256.db2.gz MCTJCZSAXGPSQP-RXMQYKEDSA-N -1 3 235.251 0.873 20 0 BCADHM CCCCCC[N-]S(=O)(=O)c1nncn1C ZINC000866379526 589488723 /nfs/dbraw/zinc/48/87/23/589488723.db2.gz OUOVDNSSJZHIFV-UHFFFAOYSA-N -1 3 246.336 0.674 20 0 BCADHM C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866379163 589488770 /nfs/dbraw/zinc/48/87/70/589488770.db2.gz IHQBJLZKACZWSJ-AWEZNQCLSA-N -1 3 248.329 0.608 20 0 BCADHM CCC[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC000866387029 589489290 /nfs/dbraw/zinc/48/92/90/589489290.db2.gz KKXRSPKCNCEFLG-UHFFFAOYSA-N -1 3 242.366 0.739 20 0 BCADHM CSCC[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866410500 589491183 /nfs/dbraw/zinc/49/11/83/589491183.db2.gz LFFAAPYXDKDYLX-UHFFFAOYSA-N -1 3 247.345 0.426 20 0 BCADHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC1CC1 ZINC000866451118 589493827 /nfs/dbraw/zinc/49/38/27/589493827.db2.gz PVNPWQIOINYTRZ-CYBMUJFWSA-N -1 3 240.350 0.349 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)C1CSC1 ZINC000867710631 589531764 /nfs/dbraw/zinc/53/17/64/589531764.db2.gz GJNOFOAFZSQYLE-ZETCQYMHSA-N -1 3 217.290 0.434 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@]12C[C@@H]1CCCC2 ZINC000868427630 589557564 /nfs/dbraw/zinc/55/75/64/589557564.db2.gz HGXWRBJLQSFRGH-CPCISQLKSA-N -1 3 246.274 0.971 20 0 BCADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000868427778 589557748 /nfs/dbraw/zinc/55/77/48/589557748.db2.gz ZVTJFEMHWNZIGX-KVPKETBZSA-N -1 3 246.274 0.683 20 0 BCADHM CCN(CC)CC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000868443644 589558529 /nfs/dbraw/zinc/55/85/29/589558529.db2.gz JUSOBITVGMVXLB-DTORHVGOSA-N -1 3 228.292 0.308 20 0 BCADHM NC(=O)CO[N-]C(=O)c1c(F)cccc1Cl ZINC000122267631 589573968 /nfs/dbraw/zinc/57/39/68/589573968.db2.gz LSJPOJCAZHEAKT-UHFFFAOYSA-N -1 3 246.625 0.626 20 0 BCADHM CC[C@@H](NC(C)=O)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000868970462 589583991 /nfs/dbraw/zinc/58/39/91/589583991.db2.gz OUPVHEGXNRBUPL-POYBYMJQSA-N -1 3 243.332 0.509 20 0 BCADHM CC[C@@H](NC(C)=O)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000868970461 589584269 /nfs/dbraw/zinc/58/42/69/589584269.db2.gz OUPVHEGXNRBUPL-HTRCEHHLSA-N -1 3 243.332 0.509 20 0 BCADHM CCC(C)=CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869021614 589585062 /nfs/dbraw/zinc/58/50/62/589585062.db2.gz JGOXCZWFPCNYQO-QPJJXVBHSA-N -1 3 237.259 0.860 20 0 BCADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCOC2=O)c1 ZINC000869095683 589587774 /nfs/dbraw/zinc/58/77/74/589587774.db2.gz YEWMFNWUBNDCFP-JTQLQIEISA-N -1 3 249.266 1.000 20 0 BCADHM C[C@H]1OCC[C@@H]1COC(=O)c1cnn[n-]1 ZINC000869517110 589611216 /nfs/dbraw/zinc/61/12/16/589611216.db2.gz DTLHIMDYLVSMOY-RNFRBKRXSA-N -1 3 211.221 0.387 20 0 BCADHM C[C@H]1OCC[C@@H]1COC(=O)c1c[n-]nn1 ZINC000869517110 589611218 /nfs/dbraw/zinc/61/12/18/589611218.db2.gz DTLHIMDYLVSMOY-RNFRBKRXSA-N -1 3 211.221 0.387 20 0 BCADHM CC1(C)CC[C@@H](O)[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000870492789 589669471 /nfs/dbraw/zinc/66/94/71/589669471.db2.gz BKHJCCVCHNAGOZ-VXNVDRBHSA-N -1 3 238.291 0.474 20 0 BCADHM CC1(C)CC[C@@H](O)[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000870492789 589669472 /nfs/dbraw/zinc/66/94/72/589669472.db2.gz BKHJCCVCHNAGOZ-VXNVDRBHSA-N -1 3 238.291 0.474 20 0 BCADHM CC1(C)CC[C@@H](O)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000870492789 589669473 /nfs/dbraw/zinc/66/94/73/589669473.db2.gz BKHJCCVCHNAGOZ-VXNVDRBHSA-N -1 3 238.291 0.474 20 0 BCADHM CC[C@H](N)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000123167238 589670923 /nfs/dbraw/zinc/67/09/23/589670923.db2.gz SSJPMNPEBSBDJW-JGVFFNPUSA-N -1 3 202.254 0.298 20 0 BCADHM CN(C)CC(=O)[N-]OCCCC(F)(F)F ZINC000871211309 589746377 /nfs/dbraw/zinc/74/63/77/589746377.db2.gz NNCHUGVMYQAPQB-UHFFFAOYSA-N -1 3 228.214 0.938 20 0 BCADHM CC[C@H](Sc1n[n-]c(CO)n1)C(C)=O ZINC000871667102 589785732 /nfs/dbraw/zinc/78/57/32/589785732.db2.gz XXFGJRSYKCACKJ-LURJTMIESA-N -1 3 215.278 0.757 20 0 BCADHM CCC(C)(C)NC(=O)Cn1c([O-])c(C)oc1=O ZINC000871781449 589816145 /nfs/dbraw/zinc/81/61/45/589816145.db2.gz FJZWQKQTMBEDRT-SSDOTTSWSA-N -1 3 242.275 0.659 20 0 BCADHM Cc1[n-]n(CCOC(C)C)c(=O)c1F ZINC000871958451 589844159 /nfs/dbraw/zinc/84/41/59/589844159.db2.gz XCGKHWXVBUYRPT-QMMMGPOBSA-N -1 3 202.229 0.968 20 0 BCADHM Cc1[n-]n(CCCN2CCOCC2)c(=O)c1F ZINC000871960159 589845546 /nfs/dbraw/zinc/84/55/46/589845546.db2.gz VHZMMPQQUPCTDF-SNVBAGLBSA-N -1 3 243.282 0.265 20 0 BCADHM Cc1[n-]n(C2=N[C@@H]3CCCC[C@@H]3N2)c(=O)c1F ZINC000871964065 589847023 /nfs/dbraw/zinc/84/70/23/589847023.db2.gz VXHVBCOLZZBJCE-YIZRAAEISA-N -1 3 238.266 0.813 20 0 BCADHM COCC(COC)n1[n-]c(C)c(F)c1=O ZINC000871962460 589847644 /nfs/dbraw/zinc/84/76/44/589847644.db2.gz CKBUPNCPNSDKIA-MRVPVSSYSA-N -1 3 218.228 0.204 20 0 BCADHM O=c1[n-]nc(Cl)cc1NC[C@@H]1COCCO1 ZINC000872417229 589937069 /nfs/dbraw/zinc/93/70/69/589937069.db2.gz QCOWJPBJCFWYGW-ZCFIWIBFSA-N -1 3 245.666 0.663 20 0 BCADHM O=c1[n-]nc(Cl)cc1NC[C@H]1COCCO1 ZINC000872417228 589937110 /nfs/dbraw/zinc/93/71/10/589937110.db2.gz QCOWJPBJCFWYGW-LURJTMIESA-N -1 3 245.666 0.663 20 0 BCADHM CN(c1cc(Cl)n[n-]c1=O)C1CC(O)C1 ZINC000872508508 589945877 /nfs/dbraw/zinc/94/58/77/589945877.db2.gz FTKMJVXBXZHZNY-UHFFFAOYSA-N -1 3 229.667 0.795 20 0 BCADHM C[C@H]1C[C@H](O)CN1c1cc(Cl)n[n-]c1=O ZINC000872519678 589947123 /nfs/dbraw/zinc/94/71/23/589947123.db2.gz LPDZFNNWQIDPGT-WDSKDSINSA-N -1 3 229.667 0.795 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2C[C@H](O)C2)o1 ZINC000872578569 589953550 /nfs/dbraw/zinc/95/35/50/589953550.db2.gz JHJNIEHNEQRCLQ-KYZUINATSA-N -1 3 245.300 0.637 20 0 BCADHM C[C@@H]1C(=O)N(C)CN1c1cc(Cl)n[n-]c1=O ZINC000872582075 589954467 /nfs/dbraw/zinc/95/44/67/589954467.db2.gz IBZUFWOAXYLSFO-RXMQYKEDSA-N -1 3 242.666 0.460 20 0 BCADHM CON(C)CCNc1cc(Cl)n[n-]c1=O ZINC000872593578 589955192 /nfs/dbraw/zinc/95/51/92/589955192.db2.gz GBQURRVWMXIOCV-UHFFFAOYSA-N -1 3 232.671 0.741 20 0 BCADHM C[C@@H](N)[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000872776999 589969222 /nfs/dbraw/zinc/96/92/22/589969222.db2.gz QFEKHBXYVJQUFR-UHNVWZDZSA-N -1 3 216.672 0.983 20 0 BCADHM COC(=O)[C@@]1(F)CCN([C@H](C(=O)[O-])C2CC2)C1 ZINC000873643349 590066115 /nfs/dbraw/zinc/06/61/15/590066115.db2.gz HYBUGTJIDGCXFK-GZMMTYOYSA-N -1 3 245.250 0.437 20 0 BCADHM O=C([N-]O[C@H]1CCCCO1)[C@H]1C[C@@H](O)C1 ZINC000874262305 590100869 /nfs/dbraw/zinc/10/08/69/590100869.db2.gz PBACUXGVBNGVJA-YIZRAAEISA-N -1 3 215.249 0.332 20 0 BCADHM CC(C)COC(=O)[C@H](C)NC(=O)c1c[n-]nn1 ZINC000125224264 590157212 /nfs/dbraw/zinc/15/72/12/590157212.db2.gz OFGYTNBNOHVXLB-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM CC(C)COC(=O)[C@H](C)NC(=O)c1cnn[n-]1 ZINC000125224264 590157213 /nfs/dbraw/zinc/15/72/13/590157213.db2.gz OFGYTNBNOHVXLB-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM CC(C)COC(=O)[C@H](C)NC(=O)c1cn[n-]n1 ZINC000125224264 590157214 /nfs/dbraw/zinc/15/72/14/590157214.db2.gz OFGYTNBNOHVXLB-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM CC[C@@H](C(=O)[N-]O[C@H]1CCCCO1)N(C)C ZINC000126507328 590323509 /nfs/dbraw/zinc/32/35/09/590323509.db2.gz BCUTWQJGDZXLRK-UWVGGRQHSA-N -1 3 230.308 0.901 20 0 BCADHM Cc1ccc([O-])c(CN2CC[C@@H](O)[C@@H](O)C2)n1 ZINC000877749577 590413485 /nfs/dbraw/zinc/41/34/85/590413485.db2.gz YCOOPYAXUAGQOJ-NEPJUHHUSA-N -1 3 238.287 0.023 20 0 BCADHM C=C/C=C\CCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000877889675 590440233 /nfs/dbraw/zinc/44/02/33/590440233.db2.gz KSVDIEXDDURREL-UDIARPCQSA-N -1 3 244.316 0.526 20 0 BCADHM C=C/C=C/CCN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000878319716 590544965 /nfs/dbraw/zinc/54/49/65/590544965.db2.gz ZPYROSOOFVZKPD-HMDXOVGESA-N -1 3 235.287 0.355 20 0 BCADHM O=C(CCn1cccn1)[N-]O[C@@H]1CCCCO1 ZINC000128157180 590911634 /nfs/dbraw/zinc/91/16/34/590911634.db2.gz HFUNHQHQWPZKQN-LLVKDONJSA-N -1 3 239.275 0.848 20 0 BCADHM CN1CCC[C@H]2[C@@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC000880136929 590940709 /nfs/dbraw/zinc/94/07/09/590940709.db2.gz VCNORUSEZFBNPL-IUCAKERBSA-N -1 3 237.307 0.179 20 0 BCADHM CN(CC(C)(C)O)c1ncccc1-c1nnn[n-]1 ZINC000095147999 598943793 /nfs/dbraw/zinc/94/37/93/598943793.db2.gz PHJUPFVYIVIOCN-UHFFFAOYSA-N -1 3 248.290 0.469 20 0 BCADHM CN(CC(C)(C)O)c1ncccc1-c1nn[n-]n1 ZINC000095147999 598943794 /nfs/dbraw/zinc/94/37/94/598943794.db2.gz PHJUPFVYIVIOCN-UHFFFAOYSA-N -1 3 248.290 0.469 20 0 BCADHM O=C(NC1CSC1)c1cc(F)c[n-]c1=O ZINC000880726304 591128323 /nfs/dbraw/zinc/12/83/23/591128323.db2.gz JCCHOYQSTJFADL-UHFFFAOYSA-N -1 3 228.248 0.772 20 0 BCADHM C/C(=C/CN1CCC2(CC1)OCCO2)C(=O)[O-] ZINC000211308044 591155153 /nfs/dbraw/zinc/15/51/53/591155153.db2.gz PMZQRKGUHLUPAC-SGAXSIHGSA-N -1 3 241.287 0.856 20 0 BCADHM CC[C@@H](C)CON=C([O-])Nc1cn(C)nn1 ZINC000881212172 591173382 /nfs/dbraw/zinc/17/33/82/591173382.db2.gz OVBIHSGFDMWQAI-SSDOTTSWSA-N -1 3 227.268 0.914 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)Nc1cn(C)nn1 ZINC000881212172 591173383 /nfs/dbraw/zinc/17/33/83/591173383.db2.gz OVBIHSGFDMWQAI-SSDOTTSWSA-N -1 3 227.268 0.914 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCC(F)CC1 ZINC000881614418 591258832 /nfs/dbraw/zinc/25/88/32/591258832.db2.gz OAAYUBKZXWSRLP-UHFFFAOYSA-N -1 3 225.223 0.756 20 0 BCADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)C2CCC2)n1 ZINC000881850237 591274644 /nfs/dbraw/zinc/27/46/44/591274644.db2.gz ZHRWOVOINJOSBA-ZCFIWIBFSA-N -1 3 245.304 0.911 20 0 BCADHM CC(C)(C)c1nnc([N-]C(CO)CO)o1 ZINC000882022299 591288359 /nfs/dbraw/zinc/28/83/59/591288359.db2.gz DYEPOBWXPODVEY-UHFFFAOYSA-N -1 3 215.253 0.132 20 0 BCADHM OCc1nc(SCO[C@@H]2CCCOC2)n[n-]1 ZINC000882158666 591308344 /nfs/dbraw/zinc/30/83/44/591308344.db2.gz UDIGLVMFQWDLRX-SSDOTTSWSA-N -1 3 245.304 0.542 20 0 BCADHM CCn1ncc(CSCCc2nnn[n-]2)n1 ZINC000882190581 591312898 /nfs/dbraw/zinc/31/28/98/591312898.db2.gz JKQRZUJRANSBFJ-UHFFFAOYSA-N -1 3 239.308 0.287 20 0 BCADHM CCn1ncc(CSCCc2nn[n-]n2)n1 ZINC000882190581 591312900 /nfs/dbraw/zinc/31/29/00/591312900.db2.gz JKQRZUJRANSBFJ-UHFFFAOYSA-N -1 3 239.308 0.287 20 0 BCADHM O=C(OCSCCc1nnn[n-]1)C1CCC1 ZINC000882190613 591313051 /nfs/dbraw/zinc/31/30/51/591313051.db2.gz KDZCDCJYPRENGZ-UHFFFAOYSA-N -1 3 242.304 0.776 20 0 BCADHM O=C(OCSCCc1nn[n-]n1)C1CCC1 ZINC000882190613 591313053 /nfs/dbraw/zinc/31/30/53/591313053.db2.gz KDZCDCJYPRENGZ-UHFFFAOYSA-N -1 3 242.304 0.776 20 0 BCADHM C(Cc1nnn[n-]1)SCOC1CCOCC1 ZINC000882191202 591314145 /nfs/dbraw/zinc/31/41/45/591314145.db2.gz ZOTWZFJUOWZBKU-UHFFFAOYSA-N -1 3 244.320 0.629 20 0 BCADHM C(Cc1nn[n-]n1)SCOC1CCOCC1 ZINC000882191202 591314148 /nfs/dbraw/zinc/31/41/48/591314148.db2.gz ZOTWZFJUOWZBKU-UHFFFAOYSA-N -1 3 244.320 0.629 20 0 BCADHM CC(=O)O[C@@H](C)SCCc1nnn[n-]1 ZINC000882191097 591314175 /nfs/dbraw/zinc/31/41/75/591314175.db2.gz WMGRERRVIZZJDR-ZCFIWIBFSA-N -1 3 216.266 0.385 20 0 BCADHM CC(=O)O[C@@H](C)SCCc1nn[n-]n1 ZINC000882191097 591314177 /nfs/dbraw/zinc/31/41/77/591314177.db2.gz WMGRERRVIZZJDR-ZCFIWIBFSA-N -1 3 216.266 0.385 20 0 BCADHM CC(C)OC(=O)OCSCCc1nnn[n-]1 ZINC000882191081 591314346 /nfs/dbraw/zinc/31/43/46/591314346.db2.gz WDHBHKCQHMVJJH-UHFFFAOYSA-N -1 3 246.292 0.995 20 0 BCADHM CC(C)OC(=O)OCSCCc1nn[n-]n1 ZINC000882191081 591314347 /nfs/dbraw/zinc/31/43/47/591314347.db2.gz WDHBHKCQHMVJJH-UHFFFAOYSA-N -1 3 246.292 0.995 20 0 BCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)C2CCC2)C(=O)O1 ZINC000882198198 591315423 /nfs/dbraw/zinc/31/54/23/591315423.db2.gz SGHRORVMGQUKGH-HTRCEHHLSA-N -1 3 233.289 0.162 20 0 BCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)C2CCC2)C(=O)O1 ZINC000882198200 591315397 /nfs/dbraw/zinc/31/53/97/591315397.db2.gz SGHRORVMGQUKGH-SVRRBLITSA-N -1 3 233.289 0.162 20 0 BCADHM Cc1csc(Cn2c([O-])coc2=O)n1 ZINC000882275156 591323057 /nfs/dbraw/zinc/32/30/57/591323057.db2.gz CQLIWXNQFLUPFJ-UHFFFAOYSA-N -1 3 212.230 0.930 20 0 BCADHM Cc1noc(C)c1Cn1c([O-])coc1=O ZINC000882271989 591323351 /nfs/dbraw/zinc/32/33/51/591323351.db2.gz KHXMAYUGCLUPBK-UHFFFAOYSA-N -1 3 210.189 0.770 20 0 BCADHM CCCc1nc(Cn2c([O-])coc2=O)no1 ZINC000882274940 591323713 /nfs/dbraw/zinc/32/37/13/591323713.db2.gz HRYUUPBYOMULPU-UHFFFAOYSA-N -1 3 225.204 0.501 20 0 BCADHM CN(C(=O)Cn1c([O-])coc1=O)c1ccccc1 ZINC000882272939 591323741 /nfs/dbraw/zinc/32/37/41/591323741.db2.gz ZRGUPSDOAUDUJH-UHFFFAOYSA-N -1 3 248.238 0.628 20 0 BCADHM Cc1cnc(Cn2c([O-])coc2=O)s1 ZINC000882275097 591323862 /nfs/dbraw/zinc/32/38/62/591323862.db2.gz BRARWWPTASGRLP-UHFFFAOYSA-N -1 3 212.230 0.930 20 0 BCADHM CC(C)(C)OCCn1c([O-])coc1=O ZINC000882275766 591324436 /nfs/dbraw/zinc/32/44/36/591324436.db2.gz SIMYVJWQYZVFBZ-UHFFFAOYSA-N -1 3 201.222 0.780 20 0 BCADHM CN(C)c1nc(Cn2c([O-])coc2=O)ns1 ZINC000882276168 591324557 /nfs/dbraw/zinc/32/45/57/591324557.db2.gz ZLIYCUNWBGTEOK-UHFFFAOYSA-N -1 3 242.260 0.083 20 0 BCADHM Cc1cccnc1Cn1c([O-])coc1=O ZINC000882275572 591324849 /nfs/dbraw/zinc/32/48/49/591324849.db2.gz LHBHXIGWRZAIQL-UHFFFAOYSA-N -1 3 206.201 0.869 20 0 BCADHM CC1(C)CO[C@@H](Cn2c([O-])coc2=O)C1 ZINC000882276161 591324939 /nfs/dbraw/zinc/32/49/39/591324939.db2.gz CKHMQOLROCBXNM-SSDOTTSWSA-N -1 3 213.233 0.780 20 0 BCADHM O=C(Cn1c([O-])coc1=O)[C@@H]1Cc2ccccc21 ZINC000882276923 591325371 /nfs/dbraw/zinc/32/53/71/591325371.db2.gz ZNNMQDMKPPIGTL-SNVBAGLBSA-N -1 3 245.234 0.874 20 0 BCADHM C[C@@H](O)[C@@H](CO)[N-]c1nnc(C(C)(C)C)o1 ZINC000882445397 591350146 /nfs/dbraw/zinc/35/01/46/591350146.db2.gz HTAJMRLMHOYLLH-RNFRBKRXSA-N -1 3 229.280 0.521 20 0 BCADHM Fc1nccnc1SCCc1nnn[n-]1 ZINC000882473651 591355287 /nfs/dbraw/zinc/35/52/87/591355287.db2.gz PKEMTNJLXFTHML-UHFFFAOYSA-N -1 3 226.240 0.464 20 0 BCADHM Fc1nccnc1SCCc1nn[n-]n1 ZINC000882473651 591355290 /nfs/dbraw/zinc/35/52/90/591355290.db2.gz PKEMTNJLXFTHML-UHFFFAOYSA-N -1 3 226.240 0.464 20 0 BCADHM Fc1cc(SCCc2nnn[n-]2)ncn1 ZINC000882473741 591355334 /nfs/dbraw/zinc/35/53/34/591355334.db2.gz RHDRGAKUPXFKKW-UHFFFAOYSA-N -1 3 226.240 0.464 20 0 BCADHM Fc1cc(SCCc2nn[n-]n2)ncn1 ZINC000882473741 591355339 /nfs/dbraw/zinc/35/53/39/591355339.db2.gz RHDRGAKUPXFKKW-UHFFFAOYSA-N -1 3 226.240 0.464 20 0 BCADHM CCN1CC[C@H]1CNC(=O)Cc1cncc([O-])c1 ZINC000882494185 591375351 /nfs/dbraw/zinc/37/53/51/591375351.db2.gz OGTALODRTGVQBT-NSHDSACASA-N -1 3 249.314 0.540 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(c1cc(F)ncn1)C2 ZINC000882667269 591408662 /nfs/dbraw/zinc/40/86/62/591408662.db2.gz YOCQKDDRKGWJMH-UHFFFAOYSA-N -1 3 247.233 0.940 20 0 BCADHM CCN1CC[C@@H]1CN=c1ncnc2[nH][n-]cc1-2 ZINC000882961114 591487432 /nfs/dbraw/zinc/48/74/32/591487432.db2.gz GBFUWSJKNDMJAB-MRVPVSSYSA-N -1 3 232.291 0.233 20 0 BCADHM C[C@@]1(NC(=O)c2ccccc2[O-])CCNC1=O ZINC000889043200 591849979 /nfs/dbraw/zinc/84/99/79/591849979.db2.gz YSLASPHZMQNSKP-GFCCVEGCSA-N -1 3 234.255 0.401 20 0 BCADHM C[C@H](C(N)=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000135033881 591975394 /nfs/dbraw/zinc/97/53/94/591975394.db2.gz CLPYWUYAUIJYEH-BDAKNGLRSA-N -1 3 242.319 0.683 20 0 BCADHM COCCO[N-]C(=O)Cc1cccnc1 ZINC000135133854 591991479 /nfs/dbraw/zinc/99/14/79/591991479.db2.gz VRXDNZJWTUEVPT-UHFFFAOYSA-N -1 3 210.233 0.318 20 0 BCADHM Cc1ccc(NC([O-])=NOCC(N)=O)cc1 ZINC000135739235 592044106 /nfs/dbraw/zinc/04/41/06/592044106.db2.gz XIGJAYRFKZLJNF-UHFFFAOYSA-N -1 3 223.232 0.533 20 0 BCADHM Cc1ccc(NC(=O)[N-]OCC(N)=O)cc1 ZINC000135739235 592044108 /nfs/dbraw/zinc/04/41/08/592044108.db2.gz XIGJAYRFKZLJNF-UHFFFAOYSA-N -1 3 223.232 0.533 20 0 BCADHM C[C@H]1CCC(=O)CN1C(=O)Cc1cncc([O-])c1 ZINC000885077841 592047910 /nfs/dbraw/zinc/04/79/10/592047910.db2.gz GHTBTZHESZGYID-VIFPVBQESA-N -1 3 248.282 0.910 20 0 BCADHM C[C@@H]1CCN(S(=O)(=O)[N-]C(CF)CF)C1 ZINC000885416634 592077569 /nfs/dbraw/zinc/07/75/69/592077569.db2.gz IUPSBAAWXZFTPE-SSDOTTSWSA-N -1 3 242.291 0.470 20 0 BCADHM CC1(S(=O)(=O)[N-]C(CF)CF)CC1 ZINC000885413962 592076343 /nfs/dbraw/zinc/07/63/43/592076343.db2.gz PUGMMQKMFNCSGB-UHFFFAOYSA-N -1 3 213.249 0.766 20 0 BCADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)CF)cn1 ZINC000885413984 592076745 /nfs/dbraw/zinc/07/67/45/592076745.db2.gz NIRPVHVKLYFHLC-ZETCQYMHSA-N -1 3 235.284 0.539 20 0 BCADHM O=S(=O)(CCCF)[N-]C(CF)CF ZINC000885418018 592077610 /nfs/dbraw/zinc/07/76/10/592077610.db2.gz HWNTVPYZEJEFDF-UHFFFAOYSA-N -1 3 219.228 0.573 20 0 BCADHM COC[C@@H](C)CS(=O)(=O)[N-]C(CF)CF ZINC000885416313 592077719 /nfs/dbraw/zinc/07/77/19/592077719.db2.gz DJGGFWVVSLEYPW-SSDOTTSWSA-N -1 3 245.291 0.496 20 0 BCADHM O=S(=O)([N-][C@]12C[C@H]1COC2)c1ccccn1 ZINC000885491307 592081187 /nfs/dbraw/zinc/08/11/87/592081187.db2.gz QXYHVHRIDVORLO-WPRPVWTQSA-N -1 3 240.284 0.149 20 0 BCADHM O=C(NCCn1ccnn1)c1cccc([O-])c1 ZINC000136361259 592108603 /nfs/dbraw/zinc/10/86/03/592108603.db2.gz UCSSLDZALAFHQF-UHFFFAOYSA-N -1 3 232.243 0.414 20 0 BCADHM CCO[N-]C(=O)CNCc1cc(C)co1 ZINC000886153227 592164888 /nfs/dbraw/zinc/16/48/88/592164888.db2.gz AGPSBNIBRITMKH-UHFFFAOYSA-N -1 3 212.249 0.745 20 0 BCADHM Cc1cc(F)c(C(=O)[N-]OCCO)c(F)c1 ZINC000218805940 592183010 /nfs/dbraw/zinc/18/30/10/592183010.db2.gz WGUSDLPTGHSKTG-UHFFFAOYSA-N -1 3 231.198 0.927 20 0 BCADHM O=C(COC1CC1)NCc1cncc([O-])c1 ZINC000886271693 592192436 /nfs/dbraw/zinc/19/24/36/592192436.db2.gz SCWRWRJANUDRBB-UHFFFAOYSA-N -1 3 222.244 0.582 20 0 BCADHM C/C=C/[C@@H](O)C(=O)NCc1cncc([O-])c1 ZINC000886272867 592193009 /nfs/dbraw/zinc/19/30/09/592193009.db2.gz FKHWQAKBMZSSKM-VMZHVLLKSA-N -1 3 222.244 0.340 20 0 BCADHM CO[C@@H](C)CC(=O)NCc1cncc([O-])c1 ZINC000886280047 592194662 /nfs/dbraw/zinc/19/46/62/592194662.db2.gz SSPIPDZHWCEORZ-QMMMGPOBSA-N -1 3 224.260 0.828 20 0 BCADHM CC1=NO[C@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886275108 592194761 /nfs/dbraw/zinc/19/47/61/592194761.db2.gz OELQXMHERDXKKR-JTQLQIEISA-N -1 3 235.243 0.568 20 0 BCADHM Cn1cc(CC(=O)NCc2cncc([O-])c2)cn1 ZINC000886280033 592198092 /nfs/dbraw/zinc/19/80/92/592198092.db2.gz SEZWDRGJNQTTPC-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM Cc1cc(CC(=O)NCc2cncc([O-])c2)no1 ZINC000886280037 592198464 /nfs/dbraw/zinc/19/84/64/592198464.db2.gz SIFAXMVPMWCWHO-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM CCCS(=O)(=O)[N-]c1csc(C(N)=O)c1 ZINC000886406385 592223233 /nfs/dbraw/zinc/22/32/33/592223233.db2.gz XSPKCYRRSIVSPB-UHFFFAOYSA-N -1 3 248.329 0.999 20 0 BCADHM CCS(=O)(=O)[N-]c1csc(C(N)=O)c1 ZINC000886406033 592223295 /nfs/dbraw/zinc/22/32/95/592223295.db2.gz IEWHIQYJRXFOFR-UHFFFAOYSA-N -1 3 234.302 0.609 20 0 BCADHM CCCNC(=O)[C@H](C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000219523048 592227166 /nfs/dbraw/zinc/22/71/66/592227166.db2.gz AYFAJGRCCDRVHH-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM CCNC(=O)COC(=O)c1ccc([O-])cc1O ZINC000003529490 592273855 /nfs/dbraw/zinc/27/38/55/592273855.db2.gz SMIPZCVRJSYUET-UHFFFAOYSA-N -1 3 239.227 0.391 20 0 BCADHM C[C@H](C(=O)N[C@@H](C)C(=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000221334811 592416273 /nfs/dbraw/zinc/41/62/73/592416273.db2.gz RBNQDSPZAMQTBJ-QCLAVDOMSA-N -1 3 242.319 0.837 20 0 BCADHM CC(C)Cc1cc(NC(=O)c2cnn[n-]2)n(C)n1 ZINC000140720452 592481018 /nfs/dbraw/zinc/48/10/18/592481018.db2.gz LVXDDTBMVFINLD-UHFFFAOYSA-N -1 3 248.290 0.989 20 0 BCADHM CC(C)Cc1cc(NC(=O)c2c[n-]nn2)n(C)n1 ZINC000140720452 592481021 /nfs/dbraw/zinc/48/10/21/592481021.db2.gz LVXDDTBMVFINLD-UHFFFAOYSA-N -1 3 248.290 0.989 20 0 BCADHM CC(C)Cc1cc(NC(=O)c2cn[n-]n2)n(C)n1 ZINC000140720452 592481023 /nfs/dbraw/zinc/48/10/23/592481023.db2.gz LVXDDTBMVFINLD-UHFFFAOYSA-N -1 3 248.290 0.989 20 0 BCADHM C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)[O-])N(C)C1CC1 ZINC000300668463 592517522 /nfs/dbraw/zinc/51/75/22/592517522.db2.gz MBXQBEINKRSEBO-FKTZTGRPSA-N -1 3 240.303 0.306 20 0 BCADHM C[C@@H]1CN(CCCC(=O)[O-])[C@@H](C)CO1 ZINC000223227603 592522731 /nfs/dbraw/zinc/52/27/31/592522731.db2.gz YJCMAWOIYIJNNG-DTWKUNHWSA-N -1 3 201.266 0.960 20 0 BCADHM O=C(Nc1cnn(C2CCC2)c1)c1cnn[n-]1 ZINC000889063524 592578486 /nfs/dbraw/zinc/57/84/86/592578486.db2.gz ZCSGTKJLWDMMSG-UHFFFAOYSA-N -1 3 232.247 0.979 20 0 BCADHM O=C(Nc1cnn(C2CCC2)c1)c1c[n-]nn1 ZINC000889063524 592578488 /nfs/dbraw/zinc/57/84/88/592578488.db2.gz ZCSGTKJLWDMMSG-UHFFFAOYSA-N -1 3 232.247 0.979 20 0 BCADHM O=C(Nc1cnn(C2CCC2)c1)c1cn[n-]n1 ZINC000889063524 592578490 /nfs/dbraw/zinc/57/84/90/592578490.db2.gz ZCSGTKJLWDMMSG-UHFFFAOYSA-N -1 3 232.247 0.979 20 0 BCADHM COc1ccsc1C(=O)[N-]c1nnn(C)n1 ZINC000889631111 592636077 /nfs/dbraw/zinc/63/60/77/592636077.db2.gz LWKKFYAIWCBMCI-UHFFFAOYSA-N -1 3 239.260 0.533 20 0 BCADHM O=C([O-])C[C@H]1CN(CC2CCOCC2)CCO1 ZINC000091295872 601452930 /nfs/dbraw/zinc/45/29/30/601452930.db2.gz FTOIGFXQCAYNET-NSHDSACASA-N -1 3 243.303 0.589 20 0 BCADHM Cc1cnc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000693797064 601504718 /nfs/dbraw/zinc/50/47/18/601504718.db2.gz RFXHQYLWCHGLNE-LDYMZIIASA-N -1 3 235.287 0.938 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC000308851517 597022496 /nfs/dbraw/zinc/02/24/96/597022496.db2.gz OMFBJYJEHNJFEJ-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM Cn1cnnc1CNC1(C(=O)[O-])CCCC1 ZINC000050422672 597078805 /nfs/dbraw/zinc/07/88/05/597078805.db2.gz KAEZPWHEPUOZPS-UHFFFAOYSA-N -1 3 224.264 0.302 20 0 BCADHM C[C@H](C(=O)[O-])N(C)Cc1cn2cccnc2n1 ZINC000054069678 597472046 /nfs/dbraw/zinc/47/20/46/597472046.db2.gz ZHNIAYRBXTUKHG-MRVPVSSYSA-N -1 3 234.259 0.634 20 0 BCADHM CN(CCCCC(=O)[O-])CC(=O)N1CCCC1 ZINC000042489078 597764235 /nfs/dbraw/zinc/76/42/35/597764235.db2.gz BIABAQSRCFZSAX-UHFFFAOYSA-N -1 3 242.319 0.796 20 0 BCADHM CN(CCCCC(=O)[O-])[C@H]1CCN(C)C1=O ZINC000690317985 597781425 /nfs/dbraw/zinc/78/14/25/597781425.db2.gz TVUHTWNLOVGJES-VIFPVBQESA-N -1 3 228.292 0.404 20 0 BCADHM CC[C@@H](C(=O)N(CC(=O)[O-])C(C)C)N(C)C ZINC000820261223 598071380 /nfs/dbraw/zinc/07/13/80/598071380.db2.gz IAGRAGCXDZKJLG-VIFPVBQESA-N -1 3 230.308 0.648 20 0 BCADHM CCCn1cc(CN(C)CC(=O)[O-])cn1 ZINC000233361273 598115900 /nfs/dbraw/zinc/11/59/00/598115900.db2.gz FTBBCEDKPSSPDC-UHFFFAOYSA-N -1 3 211.265 0.810 20 0 BCADHM CC(C)C[C@@H](NCc1cc[nH]n1)C(=O)[O-] ZINC000043433493 598208846 /nfs/dbraw/zinc/20/88/46/598208846.db2.gz SZYDITDWFYUNCO-SECBINFHSA-N -1 3 211.265 0.999 20 0 BCADHM c1nc(CNc2ccc(-c3nn[n-]n3)cn2)co1 ZINC000738453782 598471418 /nfs/dbraw/zinc/47/14/18/598471418.db2.gz ZKFFSBNPBUYDPT-UHFFFAOYSA-N -1 3 243.230 0.862 20 0 BCADHM c1nc(CNc2ccc(-c3nnn[n-]3)cn2)co1 ZINC000738453782 598471415 /nfs/dbraw/zinc/47/14/15/598471415.db2.gz ZKFFSBNPBUYDPT-UHFFFAOYSA-N -1 3 243.230 0.862 20 0 BCADHM CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000095133088 598591665 /nfs/dbraw/zinc/59/16/65/598591665.db2.gz LQEUNKLLYJVHLA-UHFFFAOYSA-N -1 3 221.195 0.964 20 0 BCADHM CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000095133088 598591666 /nfs/dbraw/zinc/59/16/66/598591666.db2.gz LQEUNKLLYJVHLA-UHFFFAOYSA-N -1 3 221.195 0.964 20 0 BCADHM CN(CC(=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000381119635 601028751 /nfs/dbraw/zinc/02/87/51/601028751.db2.gz IFZDMRCUVNTJQI-RKDXNWHRSA-N -1 3 249.332 0.359 20 0 BCADHM O=C([O-])NCCC(=O)NCCN1CCCCC1 ZINC000739937070 599746901 /nfs/dbraw/zinc/74/69/01/599746901.db2.gz GSNFXICYZVVZDS-UHFFFAOYSA-N -1 3 243.307 0.246 20 0 BCADHM CN(CCC(N)=O)Cc1ccc(C(=O)[O-])o1 ZINC000381888823 599795232 /nfs/dbraw/zinc/79/52/32/599795232.db2.gz NWPZKRUVGJBPSO-UHFFFAOYSA-N -1 3 226.232 0.285 20 0 BCADHM CC1(C)CCCN1CC(=O)NCC(=O)[O-] ZINC000393792366 599886266 /nfs/dbraw/zinc/88/62/66/599886266.db2.gz FUILIPZWXNGRTN-UHFFFAOYSA-N -1 3 214.265 0.062 20 0 BCADHM CN1CC[C@H](N2CCC(CC(=O)[O-])CC2)C1=O ZINC000093681226 600214450 /nfs/dbraw/zinc/21/44/50/600214450.db2.gz YBKSYQLQZUYDCH-JTQLQIEISA-N -1 3 240.303 0.404 20 0 BCADHM CCN(C)C(=O)CN(CCC(=O)[O-])C(C)C ZINC000037474365 600220975 /nfs/dbraw/zinc/22/09/75/600220975.db2.gz UICADTURNDIWJW-UHFFFAOYSA-N -1 3 230.308 0.650 20 0 BCADHM NC(=O)[C@@H]1CCCCN1CCCC(=O)[O-] ZINC000042405367 600223457 /nfs/dbraw/zinc/22/34/57/600223457.db2.gz XZYDZLOGQCYXHB-QMMMGPOBSA-N -1 3 214.265 0.191 20 0 BCADHM CC1(C)COCCN1CCCC(=O)[O-] ZINC000042462447 600225891 /nfs/dbraw/zinc/22/58/91/600225891.db2.gz NYTYNKJPSPICFE-UHFFFAOYSA-N -1 3 201.266 0.962 20 0 BCADHM CC[C@@H](C(N)=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405440324 600296887 /nfs/dbraw/zinc/29/68/87/600296887.db2.gz IONJZYDWWMMZPE-BDAKNGLRSA-N -1 3 240.303 0.437 20 0 BCADHM CCCCCCN(C)CC(=O)NCC(=O)[O-] ZINC000309606040 600358947 /nfs/dbraw/zinc/35/89/47/600358947.db2.gz LGNAEBFWKSDNPQ-UHFFFAOYSA-N -1 3 230.308 0.699 20 0 BCADHM CCN(CC)C(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000042706336 600369619 /nfs/dbraw/zinc/36/96/19/600369619.db2.gz OFFQSHVFANRCCO-ZJUUUORDSA-N -1 3 244.335 0.896 20 0 BCADHM CC(C)CNC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000042706201 600371621 /nfs/dbraw/zinc/37/16/21/600371621.db2.gz AGPQTEHEXBFSEH-ZJUUUORDSA-N -1 3 244.335 0.800 20 0 BCADHM CC[C@H](C)NC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000251842261 600374045 /nfs/dbraw/zinc/37/40/45/600374045.db2.gz LPXCJUSUABADNL-GUBZILKMSA-N -1 3 244.335 0.942 20 0 BCADHM C[C@@H]1COC[C@H](C)N1CCCC(=O)[O-] ZINC000308544844 600718216 /nfs/dbraw/zinc/71/82/16/600718216.db2.gz VNZPAGRABZPWBF-DTORHVGOSA-N -1 3 201.266 0.960 20 0 BCADHM CCCN(CC(=O)[O-])Cc1cc(=O)c(O)co1 ZINC000737014345 600741174 /nfs/dbraw/zinc/74/11/74/600741174.db2.gz GUWGYWRKMIDQRG-UHFFFAOYSA-N -1 3 241.243 0.642 20 0 BCADHM C[C@](O)(CN1CCO[C@@H]2CCCC[C@H]21)C(=O)[O-] ZINC000227069616 600762355 /nfs/dbraw/zinc/76/23/55/600762355.db2.gz DFMBNLGDZCFCKO-FOGDFJRCSA-N -1 3 243.303 0.465 20 0 BCADHM CCCN(C)CC(=O)NC[C@@H](C)C(=O)[O-] ZINC000737008231 600786575 /nfs/dbraw/zinc/78/65/75/600786575.db2.gz XYTYHZXGMDPXAW-MRVPVSSYSA-N -1 3 216.281 0.165 20 0 BCADHM OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000095233342 607468560 /nfs/dbraw/zinc/46/85/60/607468560.db2.gz JABQHFFLMXOHBA-UHFFFAOYSA-N -1 3 206.205 0.238 20 0 BCADHM C[C@@H](O)CN(C)Cc1ccc(C(=O)[O-])o1 ZINC000051821475 600978830 /nfs/dbraw/zinc/97/88/30/600978830.db2.gz WNPNDMYJCPKHTK-SSDOTTSWSA-N -1 3 213.233 0.790 20 0 BCADHM C[C@H](O)CN(C)Cc1ccoc1C(=O)[O-] ZINC000051821542 600979174 /nfs/dbraw/zinc/97/91/74/600979174.db2.gz PIBCDOIUAMHIGS-ZETCQYMHSA-N -1 3 213.233 0.790 20 0 BCADHM c1cc(CN2CCOCC2)cc(-c2nnn[n-]2)n1 ZINC000095184190 607479183 /nfs/dbraw/zinc/47/91/83/607479183.db2.gz TZCSODJJQHVKMU-UHFFFAOYSA-N -1 3 246.274 0.094 20 0 BCADHM CC(=O)NC1CCN(C/C=C(\C)C(=O)[O-])CC1 ZINC000310022378 601159592 /nfs/dbraw/zinc/15/95/92/601159592.db2.gz FESMQSXEOGGKJU-YCRREMRBSA-N -1 3 240.303 0.618 20 0 BCADHM C/C(=C/CN(C)C[C@@H]1CN(C)CCO1)C(=O)[O-] ZINC000707886364 601163731 /nfs/dbraw/zinc/16/37/31/601163731.db2.gz WBPQMIPUEZFYCL-NEOSZVFXSA-N -1 3 242.319 0.280 20 0 BCADHM C/C(=C/CN(C)CCn1cccn1)C(=O)[O-] ZINC000707476189 601166598 /nfs/dbraw/zinc/16/65/98/601166598.db2.gz YYRLMACNXHJKIF-WMZJFQQLSA-N -1 3 223.276 0.846 20 0 BCADHM Cn1cncc1CN1CC[C@@H](C(=O)[O-])C1 ZINC000085182674 601310787 /nfs/dbraw/zinc/31/07/87/601310787.db2.gz UTPQUZXNQIREDR-MRVPVSSYSA-N -1 3 209.249 0.327 20 0 BCADHM Cn1cncc1CN1CC[C@H](C(=O)[O-])C1 ZINC000085182673 601310929 /nfs/dbraw/zinc/31/09/29/601310929.db2.gz UTPQUZXNQIREDR-QMMMGPOBSA-N -1 3 209.249 0.327 20 0 BCADHM Cn1cncc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000085182608 601321134 /nfs/dbraw/zinc/32/11/34/601321134.db2.gz DUTSMHRWPIERGF-VIFPVBQESA-N -1 3 223.276 0.717 20 0 BCADHM CC(C)N1CC[C@H](N(C)C[C@@H](C)C(=O)[O-])C1=O ZINC000694725289 601354106 /nfs/dbraw/zinc/35/41/06/601354106.db2.gz PKDJUBOBYFOKOD-ZJUUUORDSA-N -1 3 242.319 0.648 20 0 BCADHM CCC[C@@](C)(NCc1ncnn1C)C(=O)[O-] ZINC000083972303 601417989 /nfs/dbraw/zinc/41/79/89/601417989.db2.gz SBQPLVFXQVFYAK-SNVBAGLBSA-N -1 3 226.280 0.548 20 0 BCADHM CC1(CN2CC[C@@](F)(C(=O)[O-])C2)COC1 ZINC000828087578 601435734 /nfs/dbraw/zinc/43/57/34/601435734.db2.gz BWMFPCVKQQPWHP-JTQLQIEISA-N -1 3 217.240 0.522 20 0 BCADHM C[C@@H]1CN(CCCS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC000082557897 601504388 /nfs/dbraw/zinc/50/43/88/601504388.db2.gz ZCCZAGQJLCAJPT-BDAKNGLRSA-N -1 3 249.332 0.074 20 0 BCADHM COc1ccc(CN2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000158633546 601593479 /nfs/dbraw/zinc/59/34/79/601593479.db2.gz SZBQINYVUHFYRN-SNVBAGLBSA-N -1 3 236.271 0.997 20 0 BCADHM C[C@]1(C(=O)[O-])CCN(CCCS(C)(=O)=O)C1 ZINC000063016158 601913178 /nfs/dbraw/zinc/91/31/78/601913178.db2.gz ZNQFGZHESGEKPQ-JTQLQIEISA-N -1 3 249.332 0.218 20 0 BCADHM CC[C@H](C)NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000062936191 601930936 /nfs/dbraw/zinc/93/09/36/601930936.db2.gz KFQKJVOBYLFWBZ-JOYOIKCWSA-N -1 3 242.319 0.698 20 0 BCADHM CC(C)CNC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000062936192 601918489 /nfs/dbraw/zinc/91/84/89/601918489.db2.gz JCHAOFVODUSIDB-GFCCVEGCSA-N -1 3 242.319 0.555 20 0 BCADHM CC[C@H](C)NC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000226917705 601930518 /nfs/dbraw/zinc/93/05/18/601930518.db2.gz KFQKJVOBYLFWBZ-CABZTGNLSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@@H](C)NC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000226917699 601930963 /nfs/dbraw/zinc/93/09/63/601930963.db2.gz KFQKJVOBYLFWBZ-SKDRFNHKSA-N -1 3 242.319 0.698 20 0 BCADHM NC(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000740334104 601934719 /nfs/dbraw/zinc/93/47/19/601934719.db2.gz JSMSOVNZVYUWTI-UHFFFAOYSA-N -1 3 241.291 0.079 20 0 BCADHM CN(CCO)Cc1ccc(C(=O)[O-])s1 ZINC000071026372 601941923 /nfs/dbraw/zinc/94/19/23/601941923.db2.gz FTPSXJRICFWELP-UHFFFAOYSA-N -1 3 215.274 0.870 20 0 BCADHM C[C@@H](CN1CC[C@@H](C(=O)[O-])C1)CS(C)(=O)=O ZINC000705584417 601941932 /nfs/dbraw/zinc/94/19/32/601941932.db2.gz SLMICMGIGFISLH-DTWKUNHWSA-N -1 3 249.332 0.074 20 0 BCADHM C[C@@H](CN1CC[C@H](C(=O)[O-])C1)CS(C)(=O)=O ZINC000705584419 601942342 /nfs/dbraw/zinc/94/23/42/601942342.db2.gz SLMICMGIGFISLH-IUCAKERBSA-N -1 3 249.332 0.074 20 0 BCADHM Cn1ncnc1CN[C@H](C(=O)[O-])C(C)(C)C ZINC000389394616 602227658 /nfs/dbraw/zinc/22/76/58/602227658.db2.gz YPXAWAOXNRPERB-MRVPVSSYSA-N -1 3 226.280 0.404 20 0 BCADHM CC(C)[C@@H](C(=O)N[C@H](C)C(=O)[O-])N(C)C ZINC000308847670 602253015 /nfs/dbraw/zinc/25/30/15/602253015.db2.gz MVFKRBCYLXYXEG-SFYZADRCSA-N -1 3 216.281 0.162 20 0 BCADHM Cc1cc(NCCN(C)C(=O)[O-])nc(N)n1 ZINC000740091184 602293231 /nfs/dbraw/zinc/29/32/31/602293231.db2.gz NBEAYUODWMUEQL-UHFFFAOYSA-N -1 3 225.252 0.389 20 0 BCADHM CC(C)N(C)CC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000738834121 602525588 /nfs/dbraw/zinc/52/55/88/602525588.db2.gz ITJSFVKPFYAZJI-SECBINFHSA-N -1 3 245.323 0.441 20 0 BCADHM C[C@@H](CNC(=O)[O-])N(C)C[C@@H]1CCCO1 ZINC000738941040 602558886 /nfs/dbraw/zinc/55/88/86/602558886.db2.gz SKMMMSILKHCCKH-IUCAKERBSA-N -1 3 216.281 0.753 20 0 BCADHM O=C([O-])N1CCC[C@H]1CNCc1cn[nH]c1 ZINC000740520612 602594632 /nfs/dbraw/zinc/59/46/32/602594632.db2.gz LMTAKGLSMMYEBK-VIFPVBQESA-N -1 3 224.264 0.642 20 0 BCADHM Cc1ncc(CNCCNC(=O)[O-])s1 ZINC000740232193 602650239 /nfs/dbraw/zinc/65/02/39/602650239.db2.gz PPUOBFWOZSBYAV-UHFFFAOYSA-N -1 3 215.278 0.809 20 0 BCADHM Cc1nn(C)cc1[C@H](C)NCCNC(=O)[O-] ZINC000740253681 602650461 /nfs/dbraw/zinc/65/04/61/602650461.db2.gz OZQMYZKXWMOWAH-ZETCQYMHSA-N -1 3 226.280 0.647 20 0 BCADHM C[C@@H](CCNCc1ncc[nH]1)NC(=O)[O-] ZINC000738902095 602680537 /nfs/dbraw/zinc/68/05/37/602680537.db2.gz ACDDNRCDSBXBST-ZETCQYMHSA-N -1 3 212.253 0.546 20 0 BCADHM CC(=O)NCCCN1CCCN(C(=O)[O-])CC1 ZINC000738555345 602738822 /nfs/dbraw/zinc/73/88/22/602738822.db2.gz GJFFJEDQZOJHMF-UHFFFAOYSA-N -1 3 243.307 0.198 20 0 BCADHM CC(C)[C@H](CNCc1cncnc1)NC(=O)[O-] ZINC000738793994 602790312 /nfs/dbraw/zinc/79/03/12/602790312.db2.gz OWBURIRXYWWWNZ-JTQLQIEISA-N -1 3 238.291 0.858 20 0 BCADHM Cc1cc(CN[C@H]2CCN(C(=O)[O-])C2)[nH]n1 ZINC000740076706 602877297 /nfs/dbraw/zinc/87/72/97/602877297.db2.gz KOTDBYNYJCPCOO-QMMMGPOBSA-N -1 3 224.264 0.560 20 0 BCADHM Cc1cc(CN[C@H]2CCN(C(=O)[O-])C2)n[nH]1 ZINC000740076706 602877300 /nfs/dbraw/zinc/87/73/00/602877300.db2.gz KOTDBYNYJCPCOO-QMMMGPOBSA-N -1 3 224.264 0.560 20 0 BCADHM O=C([O-])N1CC[C@H](NCc2ccncc2)C1 ZINC000740506137 602879846 /nfs/dbraw/zinc/87/98/46/602879846.db2.gz WJMYTBOQLVTELI-JTQLQIEISA-N -1 3 221.260 0.924 20 0 BCADHM CCOC1CCN(CCNC(=O)[O-])CC1 ZINC000739490473 603083412 /nfs/dbraw/zinc/08/34/12/603083412.db2.gz MVEKXOTZJDVEAE-UHFFFAOYSA-N -1 3 216.281 0.755 20 0 BCADHM C[C@@H]1CN(C[C@@H]2CCOC2)CCN1C(=O)[O-] ZINC000739181061 603366300 /nfs/dbraw/zinc/36/63/00/603366300.db2.gz QVOXMNNUNFONLH-ZJUUUORDSA-N -1 3 228.292 0.707 20 0 BCADHM O=C([O-])CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000309328365 604368779 /nfs/dbraw/zinc/36/87/79/604368779.db2.gz HEDJDYFEZJOKOC-QMMMGPOBSA-N -1 3 241.209 0.706 20 0 BCADHM CC(=O)CCN1CC[C@@H](NC(=O)[O-])C1 ZINC000738512370 604428697 /nfs/dbraw/zinc/42/86/97/604428697.db2.gz SHTPUIUMJWOFPI-MRVPVSSYSA-N -1 3 200.238 0.307 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CCc2cccnc2)C1 ZINC000740595327 604431149 /nfs/dbraw/zinc/43/11/49/604431149.db2.gz FQHJMOQSCJXTGE-LLVKDONJSA-N -1 3 235.287 0.966 20 0 BCADHM CN1CC[C@H](NCc2ccc(C(=O)[O-])o2)C1 ZINC000070946688 604538549 /nfs/dbraw/zinc/53/85/49/604538549.db2.gz JEPSMBNESDXHOT-QMMMGPOBSA-N -1 3 224.260 0.772 20 0 BCADHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])o2)C[C@H]1O ZINC000388139805 604569201 /nfs/dbraw/zinc/56/92/01/604569201.db2.gz GBKCARAUECXTDQ-VXNVDRBHSA-N -1 3 225.244 0.790 20 0 BCADHM Cn1nncc1CN(CC(=O)[O-])C1CCCC1 ZINC000394924376 604662141 /nfs/dbraw/zinc/66/21/41/604662141.db2.gz QICKWEAPCYHWPX-UHFFFAOYSA-N -1 3 238.291 0.644 20 0 BCADHM C[C@H]1CN(Cc2cc[nH]n2)C[C@H]1C(=O)[O-] ZINC000693680663 604670291 /nfs/dbraw/zinc/67/02/91/604670291.db2.gz QAADVUBCCSZYRR-IONNQARKSA-N -1 3 209.249 0.562 20 0 BCADHM C[C@H](CN(C)[C@@H](C)C(=O)N(C)C)C(=O)[O-] ZINC000042706178 604963518 /nfs/dbraw/zinc/96/35/18/604963518.db2.gz WMLYNPXSXLWNLC-SFYZADRCSA-N -1 3 216.281 0.116 20 0 BCADHM CC[C@H](C)[C@@H](C)NCc1cn(CC(=O)[O-])nn1 ZINC000318814082 605003015 /nfs/dbraw/zinc/00/30/15/605003015.db2.gz XAAFALGIZUGDRO-DTWKUNHWSA-N -1 3 240.307 0.887 20 0 BCADHM C[C@H](C(=O)[O-])N(C)CC(C)(C)S(C)(=O)=O ZINC000308888072 605049336 /nfs/dbraw/zinc/04/93/36/605049336.db2.gz WMPAFNHSPWWTAV-SSDOTTSWSA-N -1 3 237.321 0.215 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)CC(C)(C)S(C)(=O)=O ZINC000308888073 605049771 /nfs/dbraw/zinc/04/97/71/605049771.db2.gz WMPAFNHSPWWTAV-ZETCQYMHSA-N -1 3 237.321 0.215 20 0 BCADHM CCN(CC)CC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739406374 605136575 /nfs/dbraw/zinc/13/65/75/605136575.db2.gz FZKVWFDJEIHRMJ-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM O=C([O-])NC1(CNCc2cn[nH]c2)CCC1 ZINC000834155129 605522372 /nfs/dbraw/zinc/52/23/72/605522372.db2.gz HIOKMTGKBVDJFH-UHFFFAOYSA-N -1 3 224.264 0.690 20 0 BCADHM CCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000833860375 605566790 /nfs/dbraw/zinc/56/67/90/605566790.db2.gz SXHDGWXTTOACRT-IUCAKERBSA-N -1 3 243.307 0.243 20 0 BCADHM O=C([O-])N[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC000740592940 605934790 /nfs/dbraw/zinc/93/47/90/605934790.db2.gz CZOCEZYRGXIUIH-UWVGGRQHSA-N -1 3 228.292 0.897 20 0 BCADHM Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000833919963 606072465 /nfs/dbraw/zinc/07/24/65/606072465.db2.gz RIJVLCQFKOSWOO-SNVBAGLBSA-N -1 3 238.291 0.570 20 0 BCADHM CC(C)[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095149042 606102503 /nfs/dbraw/zinc/10/25/03/606102503.db2.gz BDFFLYSRVMFCAY-SECBINFHSA-N -1 3 248.290 0.691 20 0 BCADHM CC(C)[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095149042 606102505 /nfs/dbraw/zinc/10/25/05/606102505.db2.gz BDFFLYSRVMFCAY-SECBINFHSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H]1C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000095159945 606285577 /nfs/dbraw/zinc/28/55/77/606285577.db2.gz CPGFHPTVUYRJAU-SVRRBLITSA-N -1 3 246.274 0.343 20 0 BCADHM C[C@@H]1C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000095159945 606285579 /nfs/dbraw/zinc/28/55/79/606285579.db2.gz CPGFHPTVUYRJAU-SVRRBLITSA-N -1 3 246.274 0.343 20 0 BCADHM CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000095130851 607790308 /nfs/dbraw/zinc/79/03/08/607790308.db2.gz IOCUFIFSEFTSKG-UHFFFAOYSA-N -1 3 217.232 0.849 20 0 BCADHM CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000095130851 607790309 /nfs/dbraw/zinc/79/03/09/607790309.db2.gz IOCUFIFSEFTSKG-UHFFFAOYSA-N -1 3 217.232 0.849 20 0 BCADHM C[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000095245185 608292447 /nfs/dbraw/zinc/29/24/47/608292447.db2.gz DUFQLGXYYZOMHL-LURJTMIESA-N -1 3 237.238 0.799 20 0 BCADHM Cc1ccnc(SCCc2nnn[n-]2)n1 ZINC000095344818 635449473 /nfs/dbraw/zinc/44/94/73/635449473.db2.gz PPJFPZOGTZQSAE-UHFFFAOYSA-N -1 3 222.277 0.633 20 0 BCADHM Cc1ccnc(SCCc2nn[n-]n2)n1 ZINC000095344818 635449475 /nfs/dbraw/zinc/44/94/75/635449475.db2.gz PPJFPZOGTZQSAE-UHFFFAOYSA-N -1 3 222.277 0.633 20 0 BCADHM CC1(CNc2cc(=O)[n-]cn2)CCOCC1 ZINC000233035828 635526466 /nfs/dbraw/zinc/52/64/66/635526466.db2.gz JARNKOCNIWOOEJ-UHFFFAOYSA-N -1 3 223.276 0.999 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H]2CO)n1 ZINC000934012890 631590843 /nfs/dbraw/zinc/59/08/43/631590843.db2.gz FFRIINKIUNGIOT-IUCAKERBSA-N -1 3 223.276 0.618 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H]2CO)n1 ZINC000934012886 631591984 /nfs/dbraw/zinc/59/19/84/631591984.db2.gz FFRIINKIUNGIOT-BDAKNGLRSA-N -1 3 223.276 0.618 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC[C@H]2CO)n1 ZINC000934017345 631612570 /nfs/dbraw/zinc/61/25/70/631612570.db2.gz NVVNJVASQLIOOP-VIFPVBQESA-N -1 3 223.276 0.311 20 0 BCADHM O=C([N-]N1CN=NC1=O)c1cccc2c1OCO2 ZINC000782123796 632474741 /nfs/dbraw/zinc/47/47/41/632474741.db2.gz NBXLIJCSNOLCSW-UHFFFAOYSA-N -1 3 248.198 0.096 20 0 BCADHM O=c1cc(N2CC[C@@](O)(C(F)(F)F)C2)nc[n-]1 ZINC000310167954 632705289 /nfs/dbraw/zinc/70/52/89/632705289.db2.gz OATXDSXCKGUONH-QMMMGPOBSA-N -1 3 249.192 0.686 20 0 BCADHM Cc1nc(N(C)CCn2cccn2)cc(=O)[n-]1 ZINC000892462699 632731752 /nfs/dbraw/zinc/73/17/52/632731752.db2.gz VXVWDNADPKVEBJ-UHFFFAOYSA-N -1 3 233.275 0.824 20 0 BCADHM CC1(C[N-]S(=O)(=O)CCCF)OCCO1 ZINC000179521677 632740162 /nfs/dbraw/zinc/74/01/62/632740162.db2.gz ZALGMZPTIBSLHI-UHFFFAOYSA-N -1 3 241.284 0.028 20 0 BCADHM CC(C)CO[N-]C(=O)C[C@H]1COC(=O)C1 ZINC000153636833 632822655 /nfs/dbraw/zinc/82/26/55/632822655.db2.gz HOMXBEZOLDVPFD-MRVPVSSYSA-N -1 3 215.249 0.643 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C)C2)o1 ZINC000334437142 635862152 /nfs/dbraw/zinc/86/21/52/635862152.db2.gz QVZOLTSYHIBRHR-SECBINFHSA-N -1 3 244.316 0.570 20 0 BCADHM O=c1cc(NC[C@H](O)C(F)(F)F)nc[n-]1 ZINC000236538760 632968411 /nfs/dbraw/zinc/96/84/11/632968411.db2.gz MXJNIQHDAHTUFJ-BYPYZUCNSA-N -1 3 223.154 0.105 20 0 BCADHM O=c1cc(NCCOC[C@H]2CCCO2)nc[n-]1 ZINC000892555669 632968640 /nfs/dbraw/zinc/96/86/40/632968640.db2.gz UUOZPAZGEPVKFZ-SECBINFHSA-N -1 3 239.275 0.790 20 0 BCADHM CC(=O)[N-]OCC(=O)NC1CCCC1 ZINC000178194759 632984927 /nfs/dbraw/zinc/98/49/27/632984927.db2.gz AFBTUFDZDKZDIH-UHFFFAOYSA-N -1 3 200.238 0.113 20 0 BCADHM CCON(C)C(=O)CNc1cc(=O)[n-]c(C)n1 ZINC000894399197 635889335 /nfs/dbraw/zinc/88/93/35/635889335.db2.gz QUQLBTGCBXQFHB-UHFFFAOYSA-N -1 3 240.263 0.312 20 0 BCADHM C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000307398085 635898583 /nfs/dbraw/zinc/89/85/83/635898583.db2.gz XPSTVAWJRJHMAP-UHFFFAOYSA-N -1 3 224.644 0.782 20 0 BCADHM Cc1nc(NCc2cnn(C)c2)cc(=O)[n-]1 ZINC000165770697 633098743 /nfs/dbraw/zinc/09/87/43/633098743.db2.gz HGDPRUCYGBXHBF-UHFFFAOYSA-N -1 3 219.248 0.836 20 0 BCADHM NC(=O)[C@H]1CCCN1Cc1ccc([O-])c(F)c1 ZINC000894738403 635919843 /nfs/dbraw/zinc/91/98/43/635919843.db2.gz NMMXNTCCVYOPQU-SNVBAGLBSA-N -1 3 238.262 0.981 20 0 BCADHM CCO[N-]C(=O)CCC(=O)N(CC)CC ZINC000087047716 636006785 /nfs/dbraw/zinc/00/67/85/636006785.db2.gz AIYXBGBWLVQHNE-UHFFFAOYSA-N -1 3 216.281 0.703 20 0 BCADHM Cc1cccc(N2CCN(CC(=O)[O-])CC2)n1 ZINC000058022130 633834050 /nfs/dbraw/zinc/83/40/50/633834050.db2.gz WSRTXNZMGFIUMU-UHFFFAOYSA-N -1 3 235.287 0.597 20 0 BCADHM Cc1ccc(F)cc1NC(=O)[N-]OCC(N)=O ZINC000180597586 633896807 /nfs/dbraw/zinc/89/68/07/633896807.db2.gz YTOFGBGQECWUJZ-UHFFFAOYSA-N -1 3 241.222 0.673 20 0 BCADHM CO[N-]C(=O)CC1CCC2(CC1)OCCO2 ZINC000191696526 634219651 /nfs/dbraw/zinc/21/96/51/634219651.db2.gz XTKORKWIXFDGFK-UHFFFAOYSA-N -1 3 229.276 0.987 20 0 BCADHM O=C(C[C@@H]1CCCOC1)[N-]OC[C@@H]1CCOC1 ZINC000194319646 634312760 /nfs/dbraw/zinc/31/27/60/634312760.db2.gz RNAVAXJINUJDQQ-WDEREUQCSA-N -1 3 243.303 0.887 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cn(C)cn1)C2 ZINC000931314131 634331244 /nfs/dbraw/zinc/33/12/44/634331244.db2.gz VSMZQAMRUDNDGQ-UHFFFAOYSA-N -1 3 245.286 0.740 20 0 BCADHM CCC[C@H](NC(=O)CN(CC)CC)C(=O)[O-] ZINC000185010410 635154621 /nfs/dbraw/zinc/15/46/21/635154621.db2.gz MRNDGCJVOUUMKX-VIFPVBQESA-N -1 3 230.308 0.698 20 0 BCADHM CCN(CC)CC(=O)[N-]OCc1ccccn1 ZINC000909529629 636180853 /nfs/dbraw/zinc/18/08/53/636180853.db2.gz OOFCGWDLLCLHMN-UHFFFAOYSA-N -1 3 237.303 0.971 20 0 BCADHM O=C([O-])c1cnc(N[C@@H]2CCN(C3CC3)C2)nc1 ZINC000310692730 636329278 /nfs/dbraw/zinc/32/92/78/636329278.db2.gz OIGZXKMSZLSQAG-SECBINFHSA-N -1 3 248.286 0.823 20 0 BCADHM O=C([O-])C[C@@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000054299243 636348246 /nfs/dbraw/zinc/34/82/46/636348246.db2.gz CKXNKZTYLIDHMM-JTQLQIEISA-N -1 3 240.303 0.405 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H](O)c1ccccn1 ZINC000798302809 636524312 /nfs/dbraw/zinc/52/43/12/636524312.db2.gz KYAORFNJRDQPGX-SNVBAGLBSA-N -1 3 245.238 0.854 20 0 BCADHM Cc1ccc(C(=O)N2CCOCN2)c([O-])c1 ZINC000928953031 636636141 /nfs/dbraw/zinc/63/61/41/636636141.db2.gz RRODCZSMMXXYHK-UHFFFAOYSA-N -1 3 222.244 0.635 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CCOCN2)c1 ZINC000928953429 636643430 /nfs/dbraw/zinc/64/34/30/636643430.db2.gz LCSOOUWILRBONZ-UHFFFAOYSA-N -1 3 222.244 0.635 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OC(C)C ZINC000897888734 636844719 /nfs/dbraw/zinc/84/47/19/636844719.db2.gz GTMWBNKEINZMLA-NKWVEPMBSA-N -1 3 201.222 0.252 20 0 BCADHM CCC(=O)N1CC(NC(=O)c2ccccc2[O-])C1 ZINC000990273277 636925093 /nfs/dbraw/zinc/92/50/93/636925093.db2.gz KUSHMDZACNJEFQ-UHFFFAOYSA-N -1 3 248.282 0.743 20 0 BCADHM CO[N-]C(=O)CCc1nc(-c2ccccn2)no1 ZINC000030605948 636997923 /nfs/dbraw/zinc/99/79/23/636997923.db2.gz PHEFAEOPRLUZOZ-UHFFFAOYSA-N -1 3 248.242 0.742 20 0 BCADHM C[C@H](CC(=O)[O-])NC(=O)CN(C)CC(C)(C)C ZINC000901427213 637250389 /nfs/dbraw/zinc/25/03/89/637250389.db2.gz WQIZXHDERNPQTM-SECBINFHSA-N -1 3 244.335 0.944 20 0 BCADHM CCC[C@H](NC(=O)[C@@H](CC)N(C)C)C(=O)[O-] ZINC000901487692 637256590 /nfs/dbraw/zinc/25/65/90/637256590.db2.gz AFBKRYQDDQIQGW-DTWKUNHWSA-N -1 3 230.308 0.696 20 0 BCADHM O=S(=O)(c1cccc([O-])c1)[C@H]1CCOC1 ZINC000905253297 637711986 /nfs/dbraw/zinc/71/19/86/637711986.db2.gz RMXUYTDHTXJLFU-JTQLQIEISA-N -1 3 228.269 0.955 20 0 BCADHM O=S(=O)(c1cccc([O-])c1)[C@@H]1CCOC1 ZINC000905253300 637712444 /nfs/dbraw/zinc/71/24/44/637712444.db2.gz RMXUYTDHTXJLFU-SNVBAGLBSA-N -1 3 228.269 0.955 20 0 BCADHM CO[C@@H]1C[C@H]1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000906117185 638061460 /nfs/dbraw/zinc/06/14/60/638061460.db2.gz DTUYLEHHBDXWDT-RKDXNWHRSA-N -1 3 249.270 0.496 20 0 BCADHM CCO[C@H]1[C@H](C(=O)Nc2nnc(OC)[n-]2)[C@@H]1C ZINC000907193523 638324561 /nfs/dbraw/zinc/32/45/61/638324561.db2.gz YGONUCVKQIQZHB-RRKCRQDMSA-N -1 3 240.263 0.423 20 0 BCADHM CCO[C@H]1[C@H](C(=O)Nc2n[n-]c(OC)n2)[C@@H]1C ZINC000907193523 638324568 /nfs/dbraw/zinc/32/45/68/638324568.db2.gz YGONUCVKQIQZHB-RRKCRQDMSA-N -1 3 240.263 0.423 20 0 BCADHM CCO[C@H]1[C@H](C(=O)Nc2nc(OC)n[n-]2)[C@@H]1C ZINC000907193523 638324569 /nfs/dbraw/zinc/32/45/69/638324569.db2.gz YGONUCVKQIQZHB-RRKCRQDMSA-N -1 3 240.263 0.423 20 0 BCADHM C=CC(=O)N(CC)CC(=O)Nc1ncccc1[O-] ZINC000907314519 638352956 /nfs/dbraw/zinc/35/29/56/638352956.db2.gz QQMHWGIZZNNRCG-UHFFFAOYSA-N -1 3 249.270 0.760 20 0 BCADHM O=S(=O)([N-][C@@H]1CC12CC(O)C2)c1ccco1 ZINC000907786872 638473231 /nfs/dbraw/zinc/47/32/31/638473231.db2.gz LWBYCVMXLSIOTC-CCNFQMFXSA-N -1 3 243.284 0.471 20 0 BCADHM CSCCO[N-]C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000907896538 638503361 /nfs/dbraw/zinc/50/33/61/638503361.db2.gz ZXSTVFPNMXEQSC-CNUIFLNQSA-N -1 3 229.301 0.622 20 0 BCADHM COc1cccc([O-])c1C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000907908512 638508318 /nfs/dbraw/zinc/50/83/18/638508318.db2.gz PTMDYHVDAVSBFO-JDICNCQASA-N -1 3 249.266 0.775 20 0 BCADHM CN1C[C@H](O)C[C@]1(C)C(=O)[N-]OC/C=C/Cl ZINC000908309879 638652809 /nfs/dbraw/zinc/65/28/09/638652809.db2.gz ATXKKMWQOVAZES-KHSHYHJCSA-N -1 3 248.710 0.242 20 0 BCADHM O=C([N-]OCC1CC1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000908383528 638680782 /nfs/dbraw/zinc/68/07/82/638680782.db2.gz RHCMLZYFHFNABE-SZEHBUNVSA-N -1 3 209.245 0.669 20 0 BCADHM CC[C@H](C(=O)N(CCC(=O)[O-])C1CC1)N(C)C ZINC000908871509 639083389 /nfs/dbraw/zinc/08/33/89/639083389.db2.gz RZVSQDSYUCJMEN-SNVBAGLBSA-N -1 3 242.319 0.792 20 0 BCADHM O=C([O-])CCN(C(=O)Cc1c[nH]cn1)C1CC1 ZINC000908873004 639088727 /nfs/dbraw/zinc/08/87/27/639088727.db2.gz JNAHSNONYFKPMI-UHFFFAOYSA-N -1 3 237.259 0.418 20 0 BCADHM CC[C@H](C(=O)N(CC(=O)[O-])CC(C)C)N(C)C ZINC000908878630 639089657 /nfs/dbraw/zinc/08/96/57/639089657.db2.gz DAMYVIUFTDSYAE-SNVBAGLBSA-N -1 3 244.335 0.896 20 0 BCADHM CC(C)N(CC(=O)[O-])C(=O)CN(C)C1CCC1 ZINC000908917255 639091709 /nfs/dbraw/zinc/09/17/09/639091709.db2.gz SHPJAINTQVPBQA-UHFFFAOYSA-N -1 3 242.319 0.792 20 0 BCADHM CCCN1CCC[C@H]1C(=O)N(CC)CC(=O)[O-] ZINC000908950084 639099245 /nfs/dbraw/zinc/09/92/45/639099245.db2.gz WSGOHYAHYPDXGM-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)Cc1c[nH]cn1 ZINC000908950305 639100005 /nfs/dbraw/zinc/10/00/05/639100005.db2.gz ROZVQMSFKDHIKZ-UHFFFAOYSA-N -1 3 225.248 0.275 20 0 BCADHM CC[C@](C)(NC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000908927768 639102776 /nfs/dbraw/zinc/10/27/76/639102776.db2.gz NPEDUJHAUWZLTO-NSHDSACASA-N -1 3 230.308 0.696 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000909053522 639133747 /nfs/dbraw/zinc/13/37/47/639133747.db2.gz IYBPYXGPTANAFG-APHKKCJPSA-N -1 3 241.287 0.276 20 0 BCADHM CC[C@H](NC(=O)[C@H]1CCCN1C(C)C)C(=O)[O-] ZINC000909122471 639150370 /nfs/dbraw/zinc/15/03/70/639150370.db2.gz KBZMRLSQXKPZLN-VHSXEESVSA-N -1 3 242.319 0.839 20 0 BCADHM COC/C(C)=C/COC(=O)c1cnn[n-]1 ZINC000909311968 639204879 /nfs/dbraw/zinc/20/48/79/639204879.db2.gz NVNCDMGWRKDHPU-XVNBXDOJSA-N -1 3 211.221 0.554 20 0 BCADHM COC/C(C)=C/COC(=O)c1c[n-]nn1 ZINC000909311968 639204885 /nfs/dbraw/zinc/20/48/85/639204885.db2.gz NVNCDMGWRKDHPU-XVNBXDOJSA-N -1 3 211.221 0.554 20 0 BCADHM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1c[nH]cn1 ZINC000909314338 639205708 /nfs/dbraw/zinc/20/57/08/639205708.db2.gz USRDWNBTJBRBRZ-MRVPVSSYSA-N -1 3 239.275 0.664 20 0 BCADHM CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C(=O)[O-] ZINC000909811454 639226936 /nfs/dbraw/zinc/22/69/36/639226936.db2.gz HSBPRMAOISSQRZ-ZJUUUORDSA-N -1 3 244.335 0.944 20 0 BCADHM CC(C)[C@@H](C(=O)N1CC(C)(C(=O)[O-])C1)N(C)C ZINC000910058215 639356202 /nfs/dbraw/zinc/35/62/02/639356202.db2.gz NVFPTUCAALTQSV-VIFPVBQESA-N -1 3 242.319 0.506 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000910223835 639388228 /nfs/dbraw/zinc/38/82/28/639388228.db2.gz GOFAVOJXZSIDEP-BBBLOLIVSA-N -1 3 242.319 0.791 20 0 BCADHM O=C([O-])C12CCC(CC1)N2C(=O)Cc1c[nH]cn1 ZINC000910296641 639413912 /nfs/dbraw/zinc/41/39/12/639413912.db2.gz YOXPPLMYIKLWDZ-UHFFFAOYSA-N -1 3 249.270 0.560 20 0 BCADHM C/C(=C/CNc1ccncc1CO)C(=O)[O-] ZINC000910332751 639416248 /nfs/dbraw/zinc/41/62/48/639416248.db2.gz BMNMQMTVWLTTLJ-WAPJZHGLSA-N -1 3 222.244 0.439 20 0 BCADHM O=C([O-])[C@@H]1CCN(c2ccncc2CO)C1 ZINC000910406446 639433267 /nfs/dbraw/zinc/43/32/67/639433267.db2.gz QIPWBBCHGXEWRA-MRVPVSSYSA-N -1 3 222.244 0.485 20 0 BCADHM O=C([O-])[C@H]1C[C@H]1CNc1ccnc(CO)c1 ZINC000910470851 639462950 /nfs/dbraw/zinc/46/29/50/639462950.db2.gz WHXGLACIKIRXPH-XVKPBYJWSA-N -1 3 222.244 0.707 20 0 BCADHM CCCN(C)CC(=O)NCC(C)(C)CC(=O)[O-] ZINC000910831504 639516576 /nfs/dbraw/zinc/51/65/76/639516576.db2.gz XSYFEWHOIIIYHB-UHFFFAOYSA-N -1 3 244.335 0.945 20 0 BCADHM CCCO[N-]C(=O)CC1(O)CCOCC1 ZINC000911552908 639664204 /nfs/dbraw/zinc/66/42/04/639664204.db2.gz OUWYARSXNOFCCO-UHFFFAOYSA-N -1 3 217.265 0.376 20 0 BCADHM CON(C)CCNC(=O)c1ccc(O)cc1[O-] ZINC000912163247 639981816 /nfs/dbraw/zinc/98/18/16/639981816.db2.gz YKARPXZTJJVWMP-UHFFFAOYSA-N -1 3 240.259 0.321 20 0 BCADHM CC(C)=C(C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000912469313 640074028 /nfs/dbraw/zinc/07/40/28/640074028.db2.gz CHTIYKBENGXBRT-SNVBAGLBSA-N -1 3 237.303 0.971 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)C1=CCCC1 ZINC000912471239 640085892 /nfs/dbraw/zinc/08/58/92/640085892.db2.gz OMLRTUGJNKFZMP-JTQLQIEISA-N -1 3 235.287 0.725 20 0 BCADHM CC/C=C(/F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000912470078 640086064 /nfs/dbraw/zinc/08/60/64/640086064.db2.gz HBLBMAZCRDVOHA-SXPLAPADSA-N -1 3 241.266 0.878 20 0 BCADHM CC=CC=CC(=O)NCCCc1c[n-][nH]c1=O ZINC000912470608 640087485 /nfs/dbraw/zinc/08/74/85/640087485.db2.gz UJEWQUKCSWGAKD-KHPJHQOGSA-N -1 3 235.287 0.747 20 0 BCADHM CCC/C=C/C(=O)NCCCc1c[n-][nH]c1=O ZINC000912470662 640087643 /nfs/dbraw/zinc/08/76/43/640087643.db2.gz UXGUKWPRYIIMAB-LJJSCBMDSA-N -1 3 237.303 0.971 20 0 BCADHM C/C(Cl)=C/C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471987 640089230 /nfs/dbraw/zinc/08/92/30/640089230.db2.gz ZXEKNQOTYTWAHN-TVSKSKRASA-N -1 3 243.694 0.757 20 0 BCADHM C/C(Cl)=C/C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471985 640089559 /nfs/dbraw/zinc/08/95/59/640089559.db2.gz ZXEKNQOTYTWAHN-GRKOMRHMSA-N -1 3 243.694 0.757 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)c1nnn[n-]1 ZINC000912617547 640124531 /nfs/dbraw/zinc/12/45/31/640124531.db2.gz FYRMCCXQAKUMBH-HTQZYQBOSA-N -1 3 238.295 0.035 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)c1nn[n-]n1 ZINC000912617547 640124538 /nfs/dbraw/zinc/12/45/38/640124538.db2.gz FYRMCCXQAKUMBH-HTQZYQBOSA-N -1 3 238.295 0.035 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CC1(C)COC1)C2 ZINC000931312443 640145921 /nfs/dbraw/zinc/14/59/21/640145921.db2.gz SFNBTSYUOJZUBI-UHFFFAOYSA-N -1 3 235.287 0.843 20 0 BCADHM CCC[C@@H](O)CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931313531 640149711 /nfs/dbraw/zinc/14/97/11/640149711.db2.gz KMSMVFNACZCBPS-SECBINFHSA-N -1 3 237.303 0.967 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cnon1)C2 ZINC000931313373 640151867 /nfs/dbraw/zinc/15/18/67/640151867.db2.gz HSCGMYQYKMJFDU-UHFFFAOYSA-N -1 3 233.231 0.389 20 0 BCADHM CC[C@@H](O)CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931314177 640152845 /nfs/dbraw/zinc/15/28/45/640152845.db2.gz YAINOZFIVUOGOP-MRVPVSSYSA-N -1 3 223.276 0.577 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CCCO)C2 ZINC000931317327 640155311 /nfs/dbraw/zinc/15/53/11/640155311.db2.gz BPBPXYBXGIBNMS-UHFFFAOYSA-N -1 3 209.249 0.189 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)NCC(F)F ZINC000931635757 640300356 /nfs/dbraw/zinc/30/03/56/640300356.db2.gz XEWPERDOSZRQCV-LURJTMIESA-N -1 3 248.233 0.063 20 0 BCADHM CCCN(CCC)C(=O)CO[N-]C(C)=O ZINC000151385514 640373710 /nfs/dbraw/zinc/37/37/10/640373710.db2.gz XOMPZSHOSYTMIF-UHFFFAOYSA-N -1 3 216.281 0.703 20 0 BCADHM Cc1ncoc1C(=O)[N-]c1nnn(C(C)C)n1 ZINC000913486287 640376595 /nfs/dbraw/zinc/37/65/95/640376595.db2.gz IDWTZFWFPZTQPD-UHFFFAOYSA-N -1 3 236.235 0.803 20 0 BCADHM Cc1cc([N-]S(=O)(=O)N(C)C(C)C)nn1C ZINC000439067564 640430281 /nfs/dbraw/zinc/43/02/81/640430281.db2.gz TXQFHRKQNWCGJV-UHFFFAOYSA-N -1 3 246.336 0.725 20 0 BCADHM Cc1nn(C)c(C)c1CNc1cc(=O)[n-]cn1 ZINC000164020759 640434918 /nfs/dbraw/zinc/43/49/18/640434918.db2.gz MKGVGIXEDSFTQB-UHFFFAOYSA-N -1 3 233.275 0.732 20 0 BCADHM Cc1nc(N[C@@H](C)C(=O)N(C)C)cc(=O)[n-]1 ZINC000165237729 640550127 /nfs/dbraw/zinc/55/01/27/640550127.db2.gz BYXCUUMOZBCKBZ-LURJTMIESA-N -1 3 224.264 0.379 20 0 BCADHM Cc1nc(NCC2(CO)CC2)cc(=O)[n-]1 ZINC000165314524 640554848 /nfs/dbraw/zinc/55/48/48/640554848.db2.gz NKJMJERGQLMMLK-UHFFFAOYSA-N -1 3 209.249 0.675 20 0 BCADHM C[C@H](CC[S@@](C)=O)Nc1cc(=O)[n-]cn1 ZINC000165363403 640563844 /nfs/dbraw/zinc/56/38/44/640563844.db2.gz MUKIAQHFKFTDKW-MLXNANBUSA-N -1 3 229.305 0.339 20 0 BCADHM Cc1nc(N2CCC(CO)CC2)cc(=O)[n-]1 ZINC000165370524 640564387 /nfs/dbraw/zinc/56/43/87/640564387.db2.gz GWBOBEJVSBKQDB-UHFFFAOYSA-N -1 3 223.276 0.699 20 0 BCADHM Cc1nc(N2CCC[C@H](CO)C2)cc(=O)[n-]1 ZINC000165369713 640564509 /nfs/dbraw/zinc/56/45/09/640564509.db2.gz MKBVHAQQYKYDOB-VIFPVBQESA-N -1 3 223.276 0.699 20 0 BCADHM CN(C[C@@H]1CCCCO1)c1cc(=O)[n-]cn1 ZINC000165398972 640569455 /nfs/dbraw/zinc/56/94/55/640569455.db2.gz JIDZHWANWCNEKN-VIFPVBQESA-N -1 3 223.276 0.775 20 0 BCADHM CCOC1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000165392911 640570214 /nfs/dbraw/zinc/57/02/14/640570214.db2.gz BLLDMQIXMHEXAC-UHFFFAOYSA-N -1 3 223.276 0.775 20 0 BCADHM CCN(CCOC)c1cc(=O)[n-]c(C)n1 ZINC000165400592 640571899 /nfs/dbraw/zinc/57/18/99/640571899.db2.gz NXGUKQYTUHQSCJ-UHFFFAOYSA-N -1 3 211.265 0.963 20 0 BCADHM COC[C@@H]1CCN(c2cc(=O)[n-]c(C)n2)C1 ZINC000165424357 640574424 /nfs/dbraw/zinc/57/44/24/640574424.db2.gz JLSGSLFUMDCKAO-SECBINFHSA-N -1 3 223.276 0.963 20 0 BCADHM CC1(O)CCN(c2cc(=O)[n-]cn2)CC1 ZINC000165431150 640575064 /nfs/dbraw/zinc/57/50/64/640575064.db2.gz HGBDHCZHZMGNQU-UHFFFAOYSA-N -1 3 209.249 0.121 20 0 BCADHM CCOCCN(CC)c1cc(=O)[n-]cn1 ZINC000165415460 640575750 /nfs/dbraw/zinc/57/57/50/640575750.db2.gz HHGXRNPOQUWGEM-UHFFFAOYSA-N -1 3 211.265 0.633 20 0 BCADHM Cc1nc(N2CCC[C@@](C)(O)C2)cc(=O)[n-]1 ZINC000165441311 640579215 /nfs/dbraw/zinc/57/92/15/640579215.db2.gz TUYOYRLKTAXHLB-LLVKDONJSA-N -1 3 223.276 0.842 20 0 BCADHM CC(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000058916685 640762024 /nfs/dbraw/zinc/76/20/24/640762024.db2.gz RPAUTVUVHACSNK-UHFFFAOYSA-N -1 3 227.241 0.568 20 0 BCADHM CO[N-]C(=O)CCc1nc(-c2ccncc2)no1 ZINC000046562908 640782575 /nfs/dbraw/zinc/78/25/75/640782575.db2.gz GLVWWOXDSDNYHX-UHFFFAOYSA-N -1 3 248.242 0.742 20 0 BCADHM Cn1ccc(CCNc2cc(=O)[n-]cn2)n1 ZINC000227240589 640822238 /nfs/dbraw/zinc/82/22/38/640822238.db2.gz QQMKVQNPKYBFMG-UHFFFAOYSA-N -1 3 219.248 0.158 20 0 BCADHM O=C([N-]CCOCCO)C(F)(F)C(F)F ZINC000227607340 640843374 /nfs/dbraw/zinc/84/33/74/640843374.db2.gz MUACETKNRQOZAF-UHFFFAOYSA-N -1 3 233.161 0.012 20 0 BCADHM COC[C@@H](CCO)Nc1cc(=O)[n-]c(C)n1 ZINC000228283945 640868810 /nfs/dbraw/zinc/86/88/10/640868810.db2.gz NTXAXBZXSSZBDI-MRVPVSSYSA-N -1 3 227.264 0.300 20 0 BCADHM Cc1nc(N2C[C@H](CO)O[C@@H](C)C2)cc(=O)[n-]1 ZINC000230005958 641005032 /nfs/dbraw/zinc/00/50/32/641005032.db2.gz BFSISEVCXMEWFV-IONNQARKSA-N -1 3 239.275 0.077 20 0 BCADHM C[C@@H](Cc1cccnc1)NCc1nc(=O)n(C)[n-]1 ZINC000934235487 641111975 /nfs/dbraw/zinc/11/19/75/641111975.db2.gz WIQRICLEXPMNQU-VIFPVBQESA-N -1 3 247.302 0.224 20 0 BCADHM CCOc1nnc(NC(=O)c2ccn(C)n2)[n-]1 ZINC000231912107 641214675 /nfs/dbraw/zinc/21/46/75/641214675.db2.gz FCGGEXBMTARBSC-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM CCOc1nc(NC(=O)c2ccn(C)n2)n[n-]1 ZINC000231912107 641214680 /nfs/dbraw/zinc/21/46/80/641214680.db2.gz FCGGEXBMTARBSC-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM CCOc1n[n-]c(NC(=O)c2ccn(C)n2)n1 ZINC000231912107 641214683 /nfs/dbraw/zinc/21/46/83/641214683.db2.gz FCGGEXBMTARBSC-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM COc1nnc(NC(=O)C2(C(C)C)COC2)[n-]1 ZINC000935192912 641360651 /nfs/dbraw/zinc/36/06/51/641360651.db2.gz LXUFGMTUSIOFSC-UHFFFAOYSA-N -1 3 240.263 0.424 20 0 BCADHM COc1nc(NC(=O)C2(C(C)C)COC2)n[n-]1 ZINC000935192912 641360657 /nfs/dbraw/zinc/36/06/57/641360657.db2.gz LXUFGMTUSIOFSC-UHFFFAOYSA-N -1 3 240.263 0.424 20 0 BCADHM COc1n[n-]c(NC(=O)C2(C(C)C)COC2)n1 ZINC000935192912 641360660 /nfs/dbraw/zinc/36/06/60/641360660.db2.gz LXUFGMTUSIOFSC-UHFFFAOYSA-N -1 3 240.263 0.424 20 0 BCADHM CCOc1nnc(NC(=O)CC2COC2)[n-]1 ZINC000913777357 641473263 /nfs/dbraw/zinc/47/32/63/641473263.db2.gz KKKINTDHPSCYKA-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM CCOc1nc(NC(=O)CC2COC2)n[n-]1 ZINC000913777357 641473268 /nfs/dbraw/zinc/47/32/68/641473268.db2.gz KKKINTDHPSCYKA-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM CCOc1n[n-]c(NC(=O)CC2COC2)n1 ZINC000913777357 641473271 /nfs/dbraw/zinc/47/32/71/641473271.db2.gz KKKINTDHPSCYKA-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM CC[C@H](N)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000040479576 641531390 /nfs/dbraw/zinc/53/13/90/641531390.db2.gz DBJVCMYDEVTZNR-QMMMGPOBSA-N -1 3 228.292 0.627 20 0 BCADHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)[N-]OC)C1 ZINC000159559217 641686638 /nfs/dbraw/zinc/68/66/38/641686638.db2.gz SWLPECVDRTXULI-ZJUUUORDSA-N -1 3 242.319 0.949 20 0 BCADHM CO[C@@H](C)C(=O)N[N-]C(=O)c1ccccc1F ZINC000049104423 641709308 /nfs/dbraw/zinc/70/93/08/641709308.db2.gz FFXXIHUWEXXEDB-ZETCQYMHSA-N -1 3 240.234 0.622 20 0 BCADHM CC(C)N(C)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000188308267 641752632 /nfs/dbraw/zinc/75/26/32/641752632.db2.gz IENDUDXUSBEQIN-SNVBAGLBSA-N -1 3 230.308 0.411 20 0 BCADHM Cc1cc(OCC(=O)NN=c2cccn[n-]2)no1 ZINC000077034202 641836731 /nfs/dbraw/zinc/83/67/31/641836731.db2.gz FNEDZDMUCZITOZ-UHFFFAOYSA-N -1 3 249.230 0.295 20 0 BCADHM CCn1c(=O)[n-]nc1SCOC(=O)N(C)C ZINC000916098139 641903148 /nfs/dbraw/zinc/90/31/48/641903148.db2.gz ATWVDZNZVPRBNM-UHFFFAOYSA-N -1 3 246.292 0.751 20 0 BCADHM C[C@@H](O)[C@@H](C)SCCc1nnn[n-]1 ZINC000917858302 642134900 /nfs/dbraw/zinc/13/49/00/642134900.db2.gz BNJUFJDDUBEUOJ-PHDIDXHHSA-N -1 3 202.283 0.245 20 0 BCADHM C[C@@H](O)[C@@H](C)SCCc1nn[n-]n1 ZINC000917858302 642134901 /nfs/dbraw/zinc/13/49/01/642134901.db2.gz BNJUFJDDUBEUOJ-PHDIDXHHSA-N -1 3 202.283 0.245 20 0 BCADHM C[C@@H](SCCc1nnn[n-]1)[C@H](C)O ZINC000917858301 642134610 /nfs/dbraw/zinc/13/46/10/642134610.db2.gz BNJUFJDDUBEUOJ-NTSWFWBYSA-N -1 3 202.283 0.245 20 0 BCADHM C[C@@H](SCCc1nn[n-]n1)[C@H](C)O ZINC000917858301 642134618 /nfs/dbraw/zinc/13/46/18/642134618.db2.gz BNJUFJDDUBEUOJ-NTSWFWBYSA-N -1 3 202.283 0.245 20 0 BCADHM CN(C)C(=O)OCSCCc1nnn[n-]1 ZINC000917859563 642136823 /nfs/dbraw/zinc/13/68/23/642136823.db2.gz WTBMMKJNPWAANH-UHFFFAOYSA-N -1 3 231.281 0.131 20 0 BCADHM CN(C)C(=O)OCSCCc1nn[n-]n1 ZINC000917859563 642136828 /nfs/dbraw/zinc/13/68/28/642136828.db2.gz WTBMMKJNPWAANH-UHFFFAOYSA-N -1 3 231.281 0.131 20 0 BCADHM C(CSCCc1nnn[n-]1)O[C@H]1CCOC1 ZINC000917867230 642136960 /nfs/dbraw/zinc/13/69/60/642136960.db2.gz XAAAFMNEBCLBBH-QMMMGPOBSA-N -1 3 244.320 0.281 20 0 BCADHM C(CSCCc1nn[n-]n1)O[C@H]1CCOC1 ZINC000917867230 642136963 /nfs/dbraw/zinc/13/69/63/642136963.db2.gz XAAAFMNEBCLBBH-QMMMGPOBSA-N -1 3 244.320 0.281 20 0 BCADHM C(Cc1nnn[n-]1)SC[C@@H]1C[C@]12CCOC2 ZINC000917859094 642137018 /nfs/dbraw/zinc/13/70/18/642137018.db2.gz NSMRBBKRDBNMDP-WPRPVWTQSA-N -1 3 240.332 0.902 20 0 BCADHM C(Cc1nn[n-]n1)SC[C@@H]1C[C@]12CCOC2 ZINC000917859094 642137021 /nfs/dbraw/zinc/13/70/21/642137021.db2.gz NSMRBBKRDBNMDP-WPRPVWTQSA-N -1 3 240.332 0.902 20 0 BCADHM CN1CC[C@@H]1C[N-]S(=O)(=O)c1ccco1 ZINC000921413146 642613916 /nfs/dbraw/zinc/61/39/16/642613916.db2.gz FIQHTHALVFTFSD-MRVPVSSYSA-N -1 3 230.289 0.262 20 0 BCADHM CC1(C(=O)[N-]OCC(N)=O)CCCCCC1 ZINC000182337636 643001068 /nfs/dbraw/zinc/00/10/68/643001068.db2.gz MJIDOGRHOYTXLM-UHFFFAOYSA-N -1 3 228.292 0.880 20 0 BCADHM Cc1cccc(NC(=O)[N-]OCC(N)=O)c1F ZINC000183908434 643181084 /nfs/dbraw/zinc/18/10/84/643181084.db2.gz NVZMXRGLXRQDDZ-UHFFFAOYSA-N -1 3 241.222 0.673 20 0 BCADHM CCOCCO[N-]C(=O)CCCOC ZINC000184797128 643238476 /nfs/dbraw/zinc/23/84/76/643238476.db2.gz HQYZHFBIQUOLNA-UHFFFAOYSA-N -1 3 205.254 0.497 20 0 BCADHM COc1cccc(C(=O)NN=c2cccn[n-]2)n1 ZINC000084403993 643297570 /nfs/dbraw/zinc/29/75/70/643297570.db2.gz KOTQKRFWAQMAGU-UHFFFAOYSA-N -1 3 245.242 0.637 20 0 BCADHM CCOCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000095175809 643341262 /nfs/dbraw/zinc/34/12/62/643341262.db2.gz XHIKMVQJWMWDIR-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM CCOCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000095175809 643341269 /nfs/dbraw/zinc/34/12/69/643341269.db2.gz XHIKMVQJWMWDIR-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM CCCO[N-]C(=O)Cc1ccc(C(N)=O)cc1 ZINC000844086868 643383498 /nfs/dbraw/zinc/38/34/98/643383498.db2.gz BXCXZPABEDCBFL-UHFFFAOYSA-N -1 3 236.271 0.786 20 0 BCADHM CO[N-]C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000049057768 643610949 /nfs/dbraw/zinc/61/09/49/643610949.db2.gz TYBSVLFMULYKGS-SECBINFHSA-N -1 3 242.319 0.949 20 0 BCADHM CO[N-]C(=O)CNCc1ccc2c(n1)CCC2 ZINC000922826803 644102322 /nfs/dbraw/zinc/10/23/22/644102322.db2.gz ACUFBTRCRSORJG-UHFFFAOYSA-N -1 3 235.287 0.338 20 0 BCADHM CO[N-]C(=O)CNCc1cnc(C)s1 ZINC000922830733 644114874 /nfs/dbraw/zinc/11/48/74/644114874.db2.gz QEIXFCUFYFKGLT-UHFFFAOYSA-N -1 3 215.278 0.219 20 0 BCADHM CO[N-]C(=O)CNCc1ccc(C)cn1 ZINC000922830435 644115048 /nfs/dbraw/zinc/11/50/48/644115048.db2.gz PVMZABBHCCXMEK-UHFFFAOYSA-N -1 3 209.249 0.157 20 0 BCADHM CN1CCC[C@H]1C(=O)Nc1ccncc1[O-] ZINC000195557093 644396660 /nfs/dbraw/zinc/39/66/60/644396660.db2.gz NILMZYHWGGVPQD-VIFPVBQESA-N -1 3 221.260 0.820 20 0 BCADHM COc1cc[n-]c(=NNC(=O)C=CSC)n1 ZINC000083067459 644399841 /nfs/dbraw/zinc/39/98/41/644399841.db2.gz FCXDDCLYVMJOAY-GQCTYLIASA-N -1 3 240.288 0.805 20 0 BCADHM C[C@@H](Cc1ccco1)NC(=O)c1cn[n-]n1 ZINC000088342186 644517604 /nfs/dbraw/zinc/51/76/04/644517604.db2.gz BOCMFKVHVWDJGA-ZETCQYMHSA-N -1 3 220.232 0.759 20 0 BCADHM Cc1cc(N2CCC(c3nnn[n-]3)CC2)ncn1 ZINC000737272193 644529461 /nfs/dbraw/zinc/52/94/61/644529461.db2.gz QGKXGLZXTZDCBJ-UHFFFAOYSA-N -1 3 245.290 0.682 20 0 BCADHM Cc1cc(N2CCC(c3nn[n-]n3)CC2)ncn1 ZINC000737272193 644529464 /nfs/dbraw/zinc/52/94/64/644529464.db2.gz QGKXGLZXTZDCBJ-UHFFFAOYSA-N -1 3 245.290 0.682 20 0 BCADHM CCC1(C(=O)[N-]OCC(N)=O)CCC1 ZINC000089463090 644551052 /nfs/dbraw/zinc/55/10/52/644551052.db2.gz IEHQFDTUNREEDR-UHFFFAOYSA-N -1 3 200.238 0.100 20 0 BCADHM CC(C)=C[C@@H]1[C@H](C(=O)[N-]OCC(N)=O)C1(C)C ZINC000089464417 644553893 /nfs/dbraw/zinc/55/38/93/644553893.db2.gz CCGXOBFTHNYADF-PSASIEDQSA-N -1 3 240.303 0.758 20 0 BCADHM COc1ccnc([N-]C(=O)c2cccc[n+]2[O-])c1 ZINC000089983592 644575521 /nfs/dbraw/zinc/57/55/21/644575521.db2.gz XDWKICVOMNBPOY-UHFFFAOYSA-N -1 3 245.238 0.398 20 0 BCADHM O=C(C[C@@H]1CCCO1)[N-]OCC(F)F ZINC000759338044 644640888 /nfs/dbraw/zinc/64/08/88/644640888.db2.gz OXXQONRQLXXRLH-LURJTMIESA-N -1 3 209.192 0.868 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]OCC(F)F ZINC000760151239 644646577 /nfs/dbraw/zinc/64/65/77/644646577.db2.gz PZWWIMNAFWEOKI-ZCFIWIBFSA-N -1 3 211.208 0.850 20 0 BCADHM C[C@@H](C#N)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000094062317 644705855 /nfs/dbraw/zinc/70/58/55/644705855.db2.gz DBPQBJOQTRAISC-LURJTMIESA-N -1 3 234.211 0.763 20 0 BCADHM CC(C)N(CC(=O)[O-])C(=O)[C@@H](N)CC1CC1 ZINC000304377591 644898072 /nfs/dbraw/zinc/89/80/72/644898072.db2.gz PYEOKSLZCPOVEO-VIFPVBQESA-N -1 3 228.292 0.435 20 0 BCADHM CC1(C)CN(c2cc(=O)[n-]cn2)CC[C@H]1O ZINC000304479343 644908909 /nfs/dbraw/zinc/90/89/09/644908909.db2.gz BPKRRNKOMSIOEZ-MRVPVSSYSA-N -1 3 223.276 0.779 20 0 BCADHM O=C(CCCn1cncn1)[N-]OCC1CC1 ZINC000817354029 644973071 /nfs/dbraw/zinc/97/30/71/644973071.db2.gz GEUSQLYLJPLHKW-UHFFFAOYSA-N -1 3 224.264 0.516 20 0 BCADHM C[C@H](CS(C)(=O)=O)C(=O)[N-]OCC1CC1 ZINC000817358447 644975211 /nfs/dbraw/zinc/97/52/11/644975211.db2.gz RLBGZFNOPRRALS-SSDOTTSWSA-N -1 3 235.305 0.125 20 0 BCADHM C[C@H](CO)CNc1cccc(-c2nnn[n-]2)c1 ZINC000824440569 645055661 /nfs/dbraw/zinc/05/56/61/645055661.db2.gz GCJAVVAJHQUTBD-QMMMGPOBSA-N -1 3 233.275 0.907 20 0 BCADHM C[C@H](CO)CNc1cccc(-c2nn[n-]n2)c1 ZINC000824440569 645055667 /nfs/dbraw/zinc/05/56/67/645055667.db2.gz GCJAVVAJHQUTBD-QMMMGPOBSA-N -1 3 233.275 0.907 20 0 BCADHM CC[C@](C)(O)CNc1cnccc1-c1nnn[n-]1 ZINC000825050395 645060777 /nfs/dbraw/zinc/06/07/77/645060777.db2.gz IPRXICOJJGHYSZ-NSHDSACASA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@](C)(O)CNc1cnccc1-c1nn[n-]n1 ZINC000825050395 645060780 /nfs/dbraw/zinc/06/07/80/645060780.db2.gz IPRXICOJJGHYSZ-NSHDSACASA-N -1 3 248.290 0.835 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)Cc1cccnc1 ZINC000857287308 645543279 /nfs/dbraw/zinc/54/32/79/645543279.db2.gz NXVMFDLBUNBGDT-LLVKDONJSA-N -1 3 238.287 0.689 20 0 BCADHM CC(C)O[N-]C(=O)CCc1ncccn1 ZINC000857522439 645588983 /nfs/dbraw/zinc/58/89/83/645588983.db2.gz JFURUQOKZRFZGP-UHFFFAOYSA-N -1 3 209.249 0.865 20 0 BCADHM CCCO[N-]C(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC000862103100 645693882 /nfs/dbraw/zinc/69/38/82/645693882.db2.gz BEMTUVGVZURHPB-JGVFFNPUSA-N -1 3 214.265 0.359 20 0 BCADHM O=C(N[C@@H](c1ncccn1)C1CC1)c1cn[n-]n1 ZINC000928585001 645838572 /nfs/dbraw/zinc/83/85/72/645838572.db2.gz KJGAXBFONVUMTF-SECBINFHSA-N -1 3 244.258 0.476 20 0 BCADHM CO[N-]C(=O)[C@@H]1C[C@@]12c1ccccc1NC2=O ZINC000929851977 646361606 /nfs/dbraw/zinc/36/16/06/646361606.db2.gz LLOLLCINONSGSQ-QPUJVOFHSA-N -1 3 232.239 0.574 20 0 BCADHM CC(C)[S@](C)(=O)=NC(=O)c1nc[n-]n1 ZINC000926061406 646569763 /nfs/dbraw/zinc/56/97/63/646569763.db2.gz UJZJHLRBUXTSEN-AWEZNQCLSA-N -1 3 216.266 0.451 20 0 BCADHM CC[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CCCOC1 ZINC000723872614 711540722 /nfs/dbraw/zinc/54/07/22/711540722.db2.gz ZJLVJSLRIFHOGD-DTWKUNHWSA-N -1 3 238.291 0.740 20 0 BCADHM CC1CC(CN2CCO[C@H](C(=O)[O-])C2)C1 ZINC000725654982 711668294 /nfs/dbraw/zinc/66/82/94/711668294.db2.gz KEDSARXOLUCOIU-RTBKNWGFSA-N -1 3 213.277 0.818 20 0 BCADHM Cc1nc(NCCNC(=O)C(C)C)cc(=O)[n-]1 ZINC000393092469 711675331 /nfs/dbraw/zinc/67/53/31/711675331.db2.gz XNNHPOLNFWZXDH-UHFFFAOYSA-N -1 3 238.291 0.675 20 0 BCADHM COC[C@H](NCc1ccccc1OC)C(=O)[O-] ZINC000232428041 711760557 /nfs/dbraw/zinc/76/05/57/711760557.db2.gz VYKCHIFDHDWWGR-JTQLQIEISA-N -1 3 239.271 0.884 20 0 BCADHM COCC(C)(C)CN1CCOC[C@@H]1C(=O)[O-] ZINC000700596664 711999982 /nfs/dbraw/zinc/99/99/82/711999982.db2.gz JBWPKJBXQGDJNQ-SECBINFHSA-N -1 3 231.292 0.444 20 0 BCADHM C[C@@H](CF)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000702591134 712055626 /nfs/dbraw/zinc/05/56/26/712055626.db2.gz YZWAPVSADLJCPP-YFKPBYRVSA-N -1 3 207.230 0.046 20 0 BCADHM Cc1nc(N2CCC[C@@H](O)CC2)cc(=O)[n-]1 ZINC000378726857 712359215 /nfs/dbraw/zinc/35/92/15/712359215.db2.gz JBKFPTLNHOOMKJ-SECBINFHSA-N -1 3 223.276 0.842 20 0 BCADHM O=c1cc(N2CCC[C@H](O)CC2)nc[n-]1 ZINC000378769852 712360372 /nfs/dbraw/zinc/36/03/72/712360372.db2.gz FGIDJLRASHCPTR-QMMMGPOBSA-N -1 3 209.249 0.533 20 0 BCADHM O=C(NOC/C=C/Cl)c1c[n-]nn1 ZINC000379360574 712376644 /nfs/dbraw/zinc/37/66/44/712376644.db2.gz CPELAVGDTPCWAB-OWOJBTEDSA-N -1 3 202.601 0.219 20 0 BCADHM O=C(NOC/C=C/Cl)c1cnn[n-]1 ZINC000379360574 712376646 /nfs/dbraw/zinc/37/66/46/712376646.db2.gz CPELAVGDTPCWAB-OWOJBTEDSA-N -1 3 202.601 0.219 20 0 BCADHM O=C(NOC/C=C/Cl)c1cn[n-]n1 ZINC000379360574 712376648 /nfs/dbraw/zinc/37/66/48/712376648.db2.gz CPELAVGDTPCWAB-OWOJBTEDSA-N -1 3 202.601 0.219 20 0 BCADHM CN1CC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000712284886 712393784 /nfs/dbraw/zinc/39/37/84/712393784.db2.gz PHBNHLURLSPCGQ-VIFPVBQESA-N -1 3 220.272 0.826 20 0 BCADHM O=C(NCc1cnc(Cl)s1)c1cn[n-]n1 ZINC000718850041 712786075 /nfs/dbraw/zinc/78/60/75/712786075.db2.gz FNJITDPSOOPRSM-UHFFFAOYSA-N -1 3 243.679 0.845 20 0 BCADHM Cc1nc(N(C)CCCCO)cc(=O)[n-]1 ZINC000384913152 710999755 /nfs/dbraw/zinc/99/97/55/710999755.db2.gz BHKUQIADTZGYDP-UHFFFAOYSA-N -1 3 211.265 0.699 20 0 BCADHM O=C([N-]OCC(F)(F)F)[C@H]1[C@@H]2COC[C@@H]21 ZINC000385699520 711016344 /nfs/dbraw/zinc/01/63/44/711016344.db2.gz TZIGGENELFFYAX-FMCRUOTFSA-N -1 3 225.166 0.489 20 0 BCADHM Cc1nc(NCc2cncn2C)cc(=O)[n-]1 ZINC000388383627 711060099 /nfs/dbraw/zinc/06/00/99/711060099.db2.gz WHAVSCXPLCESCF-UHFFFAOYSA-N -1 3 219.248 0.836 20 0 BCADHM C[C@H](Nc1cc(=O)[n-]cn1)c1ncn(C)n1 ZINC000392040100 711143785 /nfs/dbraw/zinc/14/37/85/711143785.db2.gz LDPZXAICSDPZMY-LURJTMIESA-N -1 3 220.236 0.484 20 0 BCADHM COC(C)(C)[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC000392360406 711144789 /nfs/dbraw/zinc/14/47/89/711144789.db2.gz APNYKFVWFQXXSU-ZCFIWIBFSA-N -1 3 214.269 0.413 20 0 BCADHM CN(C)CC(=O)[N-]OCCC(F)(F)F ZINC000160982682 711523339 /nfs/dbraw/zinc/52/33/39/711523339.db2.gz HNFOHXIFUPMISI-UHFFFAOYSA-N -1 3 214.187 0.548 20 0 BCADHM O=C(N[C@@H]1CC12CC(O)C2)c1c([O-])cccc1O ZINC000724962218 711638052 /nfs/dbraw/zinc/63/80/52/711638052.db2.gz KHFNLCKKAXYLTD-OILJVLCYSA-N -1 3 249.266 0.741 20 0 BCADHM Cc1c(CN(C)c2cc(=O)[n-]cn2)cnn1C ZINC000893579864 711739395 /nfs/dbraw/zinc/73/93/95/711739395.db2.gz MHBWRPHMKAPTEZ-UHFFFAOYSA-N -1 3 233.275 0.861 20 0 BCADHM CN(C[C@@H]1CCOC1)c1cc(=O)[n-]cn1 ZINC000398922367 711741992 /nfs/dbraw/zinc/74/19/92/711741992.db2.gz VIYSIENGDHIQCV-QMMMGPOBSA-N -1 3 209.249 0.655 20 0 BCADHM Cc1cc(C(=O)[N-]c2nnn(C(C)C)n2)no1 ZINC000913490448 711822835 /nfs/dbraw/zinc/82/28/35/711822835.db2.gz JPKHBUQNRYJWMG-UHFFFAOYSA-N -1 3 236.235 0.803 20 0 BCADHM C[C@@H](CO)CCCNc1cc(=O)[n-]cn1 ZINC000228310418 711834348 /nfs/dbraw/zinc/83/43/48/711834348.db2.gz CIPZIHCSZYSLOJ-MRVPVSSYSA-N -1 3 211.265 0.590 20 0 BCADHM CC(=O)[N-]O[C@H](C)C(=O)N1CCCCCC1 ZINC000180804873 711889921 /nfs/dbraw/zinc/88/99/21/711889921.db2.gz DLBSOINEYFGDSL-SECBINFHSA-N -1 3 228.292 0.845 20 0 BCADHM CCO[N-]C(=O)CCc1cnc(N)s1 ZINC000721307625 711978257 /nfs/dbraw/zinc/97/82/57/711978257.db2.gz IVSVDXAQNXSENL-UHFFFAOYSA-N -1 3 215.278 0.726 20 0 BCADHM Cc1nc(N2CC[C@H](C)[C@H](CO)C2)cc(=O)[n-]1 ZINC000700413633 711992910 /nfs/dbraw/zinc/99/29/10/711992910.db2.gz FENVAKYLQIDWBW-WPRPVWTQSA-N -1 3 237.303 0.945 20 0 BCADHM O=c1cc(NC[C@@]2(O)CCSC2)nc[n-]1 ZINC000702284985 712044651 /nfs/dbraw/zinc/04/46/51/712044651.db2.gz HTAVHBZLMCRWQE-VIFPVBQESA-N -1 3 227.289 0.462 20 0 BCADHM CO[C@](C)(CO)CNc1cc(=O)[n-]c(C)n1 ZINC000702479762 712054717 /nfs/dbraw/zinc/05/47/17/712054717.db2.gz JAFFUJDNFPZNPD-JTQLQIEISA-N -1 3 227.264 0.300 20 0 BCADHM CO[N-]C(=O)[C@H](N)[C@H](C)OCc1ccccc1 ZINC000705979302 712139476 /nfs/dbraw/zinc/13/94/76/712139476.db2.gz JCWGQLLANLCEOQ-GXSJLCMTSA-N -1 3 238.287 0.597 20 0 BCADHM CN(C[C@@H]1CCC[C@H]1O)c1cc(=O)[n-]cn1 ZINC000708354144 712189776 /nfs/dbraw/zinc/18/97/76/712189776.db2.gz IYLMWDFWWXITMM-DTWKUNHWSA-N -1 3 223.276 0.779 20 0 BCADHM O=C1[C@H](Nc2cc(=O)[n-]cn2)CCN1C1CCC1 ZINC000708964409 712204283 /nfs/dbraw/zinc/20/42/83/712204283.db2.gz NYTQTZQBOCEBMP-SECBINFHSA-N -1 3 248.286 0.748 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2C[C@@H]2OCC)[n-]1 ZINC000709670684 712214601 /nfs/dbraw/zinc/21/46/01/712214601.db2.gz BCACFSPZJBWSQQ-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2C[C@@H]2OCC)n[n-]1 ZINC000709670684 712214602 /nfs/dbraw/zinc/21/46/02/712214602.db2.gz BCACFSPZJBWSQQ-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2C[C@@H]2OCC)n1 ZINC000709670684 712214603 /nfs/dbraw/zinc/21/46/03/712214603.db2.gz BCACFSPZJBWSQQ-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM CN(c1cc(=O)[n-]cn1)[C@@H]1CCC[C@H]1O ZINC000709629915 712225685 /nfs/dbraw/zinc/22/56/85/712225685.db2.gz DQTOUNIIGHYJIT-HTQZYQBOSA-N -1 3 209.249 0.532 20 0 BCADHM CN1CC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000712283065 712394071 /nfs/dbraw/zinc/39/40/71/712394071.db2.gz ITKORKSVSINVNS-QMMMGPOBSA-N -1 3 238.262 0.965 20 0 BCADHM Cc1nc(NCC(C)(C)OCCO)cc(=O)[n-]1 ZINC000379765835 712397966 /nfs/dbraw/zinc/39/79/66/712397966.db2.gz IPUOXZOQKUQHPM-UHFFFAOYSA-N -1 3 241.291 0.690 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1ccns1 ZINC000716385301 712557729 /nfs/dbraw/zinc/55/77/29/712557729.db2.gz LSCBHYFZRVINJB-RXMQYKEDSA-N -1 3 223.261 0.752 20 0 BCADHM O=c1cc(NCC2=CCCOC2)nc[n-]1 ZINC000379887395 712620858 /nfs/dbraw/zinc/62/08/58/712620858.db2.gz YFCBHTZZBBNBKU-UHFFFAOYSA-N -1 3 207.233 0.941 20 0 BCADHM O=C(NC1CC(=O)C1)c1ccc(O)cc1[O-] ZINC000717048350 712625203 /nfs/dbraw/zinc/62/52/03/712625203.db2.gz YCLWJAYMKHYHQN-UHFFFAOYSA-N -1 3 221.212 0.559 20 0 BCADHM CCOc1nnc(NC(=O)C2CSC2)[n-]1 ZINC000718414332 712758681 /nfs/dbraw/zinc/75/86/81/712758681.db2.gz PCQHSHYIKPLVSE-UHFFFAOYSA-N -1 3 228.277 0.505 20 0 BCADHM CCOc1nc(NC(=O)C2CSC2)n[n-]1 ZINC000718414332 712758682 /nfs/dbraw/zinc/75/86/82/712758682.db2.gz PCQHSHYIKPLVSE-UHFFFAOYSA-N -1 3 228.277 0.505 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2CSC2)n1 ZINC000718414332 712758683 /nfs/dbraw/zinc/75/86/83/712758683.db2.gz PCQHSHYIKPLVSE-UHFFFAOYSA-N -1 3 228.277 0.505 20 0 BCADHM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C ZINC000719336712 712804850 /nfs/dbraw/zinc/80/48/50/712804850.db2.gz KIACEXSBNSJGDV-IUCAKERBSA-N -1 3 235.287 0.610 20 0 BCADHM CCC(CC)(CCO)CNC(=O)c1cnn[n-]1 ZINC000152019593 168318542 /nfs/dbraw/zinc/31/85/42/168318542.db2.gz NGRBALXTZKJJCL-UHFFFAOYSA-N -1 3 240.307 0.723 20 0 BCADHM CCC(CC)(CCO)CNC(=O)c1cn[n-]n1 ZINC000152019593 168318545 /nfs/dbraw/zinc/31/85/45/168318545.db2.gz NGRBALXTZKJJCL-UHFFFAOYSA-N -1 3 240.307 0.723 20 0 BCADHM CCC(CC)(CCO)CNC(=O)c1c[n-]nn1 ZINC000152019593 168318538 /nfs/dbraw/zinc/31/85/38/168318538.db2.gz NGRBALXTZKJJCL-UHFFFAOYSA-N -1 3 240.307 0.723 20 0 BCADHM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000389881435 398146416 /nfs/dbraw/zinc/14/64/16/398146416.db2.gz OLRKSPRSOXSZIU-BQBZGAKWSA-N -1 3 247.345 0.582 20 0 BCADHM CCC(CC)([N-]S(=O)(=O)C1CC1)C(=O)OC ZINC000337964298 168332599 /nfs/dbraw/zinc/33/25/99/168332599.db2.gz VQGHYEXRZRFYOH-UHFFFAOYSA-N -1 3 249.332 0.800 20 0 BCADHM O=C(NCc1c[nH]c(=O)[nH]1)c1ccccc1[O-] ZINC000380230756 398192387 /nfs/dbraw/zinc/19/23/87/398192387.db2.gz YAPQJCNACFGLAL-UHFFFAOYSA-N -1 3 233.227 0.751 20 0 BCADHM Cc1cc([N-]C(=O)COc2nc(C)no2)on1 ZINC000264490983 178131928 /nfs/dbraw/zinc/13/19/28/178131928.db2.gz CZJUJNFJPWGEKV-UHFFFAOYSA-N -1 3 238.203 0.692 20 0 BCADHM O=C(NN=c1cccn[n-]1)N[C@@H]1CCSC1 ZINC000075803930 398227209 /nfs/dbraw/zinc/22/72/09/398227209.db2.gz FMTPPDAFMKOKEN-SSDOTTSWSA-N -1 3 239.304 0.608 20 0 BCADHM CCCn1cc(CNC2(C(=O)[O-])CC2)cn1 ZINC000417541092 398233918 /nfs/dbraw/zinc/23/39/18/398233918.db2.gz XUHLNVGOBMEPFQ-UHFFFAOYSA-N -1 3 223.276 1.000 20 0 BCADHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000334977588 398237629 /nfs/dbraw/zinc/23/76/29/398237629.db2.gz WUENUZQXBXCRAG-BQBZGAKWSA-N -1 3 247.345 0.440 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@@H](C)N(C)C ZINC000649461979 398263060 /nfs/dbraw/zinc/26/30/60/398263060.db2.gz VTOPZFHOHHDTPN-BDAKNGLRSA-N -1 3 230.308 0.410 20 0 BCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])N(C)C1CC1 ZINC000649464044 398263640 /nfs/dbraw/zinc/26/36/40/398263640.db2.gz MBXQBEINKRSEBO-FXBDTBDDSA-N -1 3 240.303 0.306 20 0 BCADHM Cc1ccc(C(=O)N(C)CC(N)=O)c([O-])c1C ZINC000049248812 178376737 /nfs/dbraw/zinc/37/67/37/178376737.db2.gz KNCSSYSJNZKVPP-UHFFFAOYSA-N -1 3 236.271 0.566 20 0 BCADHM CN(C)C(=O)CC(=O)Nc1cc(F)ccc1[O-] ZINC000176184129 365685133 /nfs/dbraw/zinc/68/51/33/365685133.db2.gz FKTGELAWVJERKE-UHFFFAOYSA-N -1 3 240.234 0.948 20 0 BCADHM Cc1ccc(C(=O)N2CCNC(=O)C2)c([O-])c1C ZINC000048401254 178392398 /nfs/dbraw/zinc/39/23/98/178392398.db2.gz JVSVAIXISDMZEU-UHFFFAOYSA-N -1 3 248.282 0.581 20 0 BCADHM CCCNS(=O)(=O)[N-]CC(C)(F)F ZINC000378874432 346851421 /nfs/dbraw/zinc/85/14/21/346851421.db2.gz WOTBZTYYJDJMAI-UHFFFAOYSA-N -1 3 216.253 0.476 20 0 BCADHM CN(C)CCN(C)C(=O)c1cncc([O-])c1 ZINC000082651059 398277235 /nfs/dbraw/zinc/27/72/35/398277235.db2.gz XEUMPMLYWOSZRB-UHFFFAOYSA-N -1 3 223.276 0.421 20 0 BCADHM CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000038302222 342733970 /nfs/dbraw/zinc/73/39/70/342733970.db2.gz CYBZXZPHZALHID-UHFFFAOYSA-N -1 3 217.232 0.749 20 0 BCADHM CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000038302222 342733972 /nfs/dbraw/zinc/73/39/72/342733972.db2.gz CYBZXZPHZALHID-UHFFFAOYSA-N -1 3 217.232 0.749 20 0 BCADHM NC1(C(=O)N(CC(=O)[O-])CC2CC2)CCCC1 ZINC000040483248 538971801 /nfs/dbraw/zinc/97/18/01/538971801.db2.gz VEGZQIXZRVWTKG-UHFFFAOYSA-N -1 3 240.303 0.581 20 0 BCADHM CC(C)c1noc(=NCCN2CC[C@@H](O)C2)[n-]1 ZINC000624677551 342818047 /nfs/dbraw/zinc/81/80/47/342818047.db2.gz HZWPHUWPOSXRTH-SECBINFHSA-N -1 3 240.307 0.093 20 0 BCADHM CO[C@H]1C[C@@H](CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000624754832 342824915 /nfs/dbraw/zinc/82/49/15/342824915.db2.gz UFTDQVIYDRHEHV-OCAPTIKFSA-N -1 3 233.275 0.563 20 0 BCADHM COC1CC(C(=O)Nc2nnc(SC)[n-]2)C1 ZINC000624925651 342838119 /nfs/dbraw/zinc/83/81/19/342838119.db2.gz SWHVCOVRBHHSSD-UHFFFAOYSA-N -1 3 242.304 0.890 20 0 BCADHM COC1CC(C(=O)Nc2nc(SC)n[n-]2)C1 ZINC000624925651 342838120 /nfs/dbraw/zinc/83/81/20/342838120.db2.gz SWHVCOVRBHHSSD-UHFFFAOYSA-N -1 3 242.304 0.890 20 0 BCADHM COC1CC(C(=O)Nc2n[n-]c(SC)n2)C1 ZINC000624925651 342838121 /nfs/dbraw/zinc/83/81/21/342838121.db2.gz SWHVCOVRBHHSSD-UHFFFAOYSA-N -1 3 242.304 0.890 20 0 BCADHM Oc1[n-]c(N2CC3(C2)CCCO3)nc2nncc1-2 ZINC000624543113 344005353 /nfs/dbraw/zinc/00/53/53/344005353.db2.gz MWCBENZXEOFLSQ-UHFFFAOYSA-N -1 3 247.258 0.428 20 0 BCADHM CC[C@](C)(CNC(=O)c1cc(=O)[n-]cn1)OC ZINC000627622165 342836385 /nfs/dbraw/zinc/83/63/85/342836385.db2.gz ZNXCVPNNIDKGAO-LLVKDONJSA-N -1 3 239.275 0.727 20 0 BCADHM CO[N-]C(=O)Cc1ccc2c(c1)OCCO2 ZINC000062265742 539015859 /nfs/dbraw/zinc/01/58/59/539015859.db2.gz DJSOELDBLWPTDD-UHFFFAOYSA-N -1 3 223.228 0.678 20 0 BCADHM Cn1cc(C(=O)Nc2cc(F)ccc2[O-])nn1 ZINC000348850114 136242034 /nfs/dbraw/zinc/24/20/34/136242034.db2.gz SFVIFEKOQRQFRO-UHFFFAOYSA-N -1 3 236.206 0.912 20 0 BCADHM Cn1cc(CNC(=O)c2ccccc2[O-])nn1 ZINC000389978565 539019310 /nfs/dbraw/zinc/01/93/10/539019310.db2.gz HDPICWRNVUQMRV-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM COCC[C@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000625042760 342844378 /nfs/dbraw/zinc/84/43/78/342844378.db2.gz PEGCWBKVFBHZCZ-ZETCQYMHSA-N -1 3 225.248 0.337 20 0 BCADHM C[C@@H]1CCN(Cc2ncccc2[O-])[C@H](C(N)=O)C1 ZINC000519476848 398305185 /nfs/dbraw/zinc/30/51/85/398305185.db2.gz CJTJQNPXHCPVOF-KOLCDFICSA-N -1 3 249.314 0.873 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@H]1C[C@@H]1C ZINC000519485465 398305568 /nfs/dbraw/zinc/30/55/68/398305568.db2.gz BPCVTEHAXRGBPL-FXBDTBDDSA-N -1 3 237.303 0.661 20 0 BCADHM Cn1c(Cc2nnn[n-]2)nc2ccccc21 ZINC000059955371 342877772 /nfs/dbraw/zinc/87/77/72/342877772.db2.gz MCTPDULEJOUTLN-UHFFFAOYSA-N -1 3 214.232 0.677 20 0 BCADHM CC[C@H](NCc1nc(=O)n(C)[n-]1)[C@@H]1CCCO1 ZINC000329433086 398309793 /nfs/dbraw/zinc/30/97/93/398309793.db2.gz LBAMUOJVZATXAU-IUCAKERBSA-N -1 3 240.307 0.156 20 0 BCADHM O=C(N[C@]12C[C@H]1CCC2)c1cc(=O)[n-]cn1 ZINC000628042055 342895207 /nfs/dbraw/zinc/89/52/07/342895207.db2.gz HHDMLQJLKKJKNK-RDDDGLTNSA-N -1 3 219.244 0.855 20 0 BCADHM O=C(N[C@@]12C[C@@H]1CCC2)c1cc(=O)[n-]cn1 ZINC000628042053 342895246 /nfs/dbraw/zinc/89/52/46/342895246.db2.gz HHDMLQJLKKJKNK-CPCISQLKSA-N -1 3 219.244 0.855 20 0 BCADHM COc1ccc2cnn(CCO)c([O-])c-2c1=O ZINC000634584576 342899350 /nfs/dbraw/zinc/89/93/50/342899350.db2.gz GYHWBMFRWUMMMR-UHFFFAOYSA-N -1 3 236.227 0.103 20 0 BCADHM COc1ccc2cnn(CCO)c(=O)c2c1[O-] ZINC000634584576 342899351 /nfs/dbraw/zinc/89/93/51/342899351.db2.gz GYHWBMFRWUMMMR-UHFFFAOYSA-N -1 3 236.227 0.103 20 0 BCADHM C[C@H](O)CN(C(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000628027280 342880174 /nfs/dbraw/zinc/88/01/74/342880174.db2.gz QQIOJQCJRXNMJD-ZETCQYMHSA-N -1 3 237.259 0.168 20 0 BCADHM CCS(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC ZINC000035160056 342884439 /nfs/dbraw/zinc/88/44/39/342884439.db2.gz XDKYNSVRPYOJBB-MRVPVSSYSA-N -1 3 237.321 0.513 20 0 BCADHM Cc1nc(C)c(C[N-]S(=O)(=O)C2COC2)o1 ZINC000625237914 342926273 /nfs/dbraw/zinc/92/62/73/342926273.db2.gz MYZVQFDXWMLTOW-UHFFFAOYSA-N -1 3 246.288 0.110 20 0 BCADHM CC[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000234037207 342916783 /nfs/dbraw/zinc/91/67/83/342916783.db2.gz VXYJXKTVXMJXQQ-XHNCKOQMSA-N -1 3 228.292 0.435 20 0 BCADHM CN(CC(=O)[O-])C(=O)[C@@H]1NCCCC1(C)C ZINC000234273391 342919504 /nfs/dbraw/zinc/91/95/04/342919504.db2.gz PDKRIHGZZRPYDV-VIFPVBQESA-N -1 3 228.292 0.308 20 0 BCADHM C[C@H](NC(=O)[C@@H](N)CC1CCCCC1)C(=O)[O-] ZINC000302324816 259330429 /nfs/dbraw/zinc/33/04/29/259330429.db2.gz FIEAPYTZYWEVCC-WPRPVWTQSA-N -1 3 242.319 0.873 20 0 BCADHM CN(C)CCn1[n-]c2c(c1=O)CSCC2 ZINC000634590211 342936723 /nfs/dbraw/zinc/93/67/23/342936723.db2.gz SOWHNDDGLXHHNM-QMMMGPOBSA-N -1 3 227.333 0.499 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)c1cc[nH]c(=O)c1 ZINC000355196966 398331632 /nfs/dbraw/zinc/33/16/32/398331632.db2.gz FXVPTZCUWZBKSJ-LURJTMIESA-N -1 3 233.231 0.396 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)c1cc[nH]c(=O)c1 ZINC000355196966 398331633 /nfs/dbraw/zinc/33/16/33/398331633.db2.gz FXVPTZCUWZBKSJ-LURJTMIESA-N -1 3 233.231 0.396 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1cc[nH]c(=O)c1 ZINC000355196966 398331634 /nfs/dbraw/zinc/33/16/34/398331634.db2.gz FXVPTZCUWZBKSJ-LURJTMIESA-N -1 3 233.231 0.396 20 0 BCADHM CN(C)CCn1[n-]c2c(c1=O)Cc1ccccc1-2 ZINC000634589866 342937172 /nfs/dbraw/zinc/93/71/72/342937172.db2.gz KFKVBZJXMRKIIC-LBPRGKRZSA-N -1 3 243.310 0.967 20 0 BCADHM CN(C)CCn1[n-]c2c(c1=O)C(C)(C)OC2 ZINC000634590432 342937544 /nfs/dbraw/zinc/93/75/44/342937544.db2.gz ZUCQDOCUPFOHMH-SECBINFHSA-N -1 3 225.292 0.171 20 0 BCADHM C[C@H]1CCc2c1[n-]n(CCN(C)C)c2=O ZINC000634590375 342937653 /nfs/dbraw/zinc/93/76/53/342937653.db2.gz XMOPNRODNLBXLA-DTWKUNHWSA-N -1 3 209.293 0.792 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CCNCC2)c1 ZINC000019274579 342945079 /nfs/dbraw/zinc/94/50/79/342945079.db2.gz CFZASZVDJGTQFW-UHFFFAOYSA-N -1 3 220.272 0.746 20 0 BCADHM COc1nc(NC(=O)COc2cccnc2)n[n-]1 ZINC000355630614 187212637 /nfs/dbraw/zinc/21/26/37/187212637.db2.gz MVRWEDJXHKKFQW-UHFFFAOYSA-N -1 3 249.230 0.226 20 0 BCADHM COc1nnc(NC(=O)COc2cccnc2)[n-]1 ZINC000355630614 187212639 /nfs/dbraw/zinc/21/26/39/187212639.db2.gz MVRWEDJXHKKFQW-UHFFFAOYSA-N -1 3 249.230 0.226 20 0 BCADHM COc1n[n-]c(NC(=O)COc2cccnc2)n1 ZINC000355630614 187212641 /nfs/dbraw/zinc/21/26/41/187212641.db2.gz MVRWEDJXHKKFQW-UHFFFAOYSA-N -1 3 249.230 0.226 20 0 BCADHM COCC(COC)n1[n-]c(C)c(C2CC2)c1=O ZINC000634634925 343049104 /nfs/dbraw/zinc/04/91/04/343049104.db2.gz OSVYOUQBGRIMHT-LLVKDONJSA-N -1 3 240.303 0.892 20 0 BCADHM CCC[C@@H](C)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000336626888 136264619 /nfs/dbraw/zinc/26/46/19/136264619.db2.gz OBGJNHRFKVMCDT-RKDXNWHRSA-N -1 3 225.292 0.411 20 0 BCADHM O=C([O-])c1cnccc1NCCCCO ZINC000236506507 343101574 /nfs/dbraw/zinc/10/15/74/343101574.db2.gz ZACHVLBPPATZLR-UHFFFAOYSA-N -1 3 210.233 0.964 20 0 BCADHM C[C@@]1(CNC(=O)c2c[n-]nn2)CC1(F)F ZINC000618603965 343126823 /nfs/dbraw/zinc/12/68/23/343126823.db2.gz NQSWCQPRMMFYTA-ZETCQYMHSA-N -1 3 216.191 0.580 20 0 BCADHM C[C@@]1(CNC(=O)c2cnn[n-]2)CC1(F)F ZINC000618603965 343126824 /nfs/dbraw/zinc/12/68/24/343126824.db2.gz NQSWCQPRMMFYTA-ZETCQYMHSA-N -1 3 216.191 0.580 20 0 BCADHM C[C@@]1(CNC(=O)c2cn[n-]n2)CC1(F)F ZINC000618603965 343126825 /nfs/dbraw/zinc/12/68/25/343126825.db2.gz NQSWCQPRMMFYTA-ZETCQYMHSA-N -1 3 216.191 0.580 20 0 BCADHM CCn1cc(NC(=O)c2cnn[n-]2)cn1 ZINC000088342188 259356570 /nfs/dbraw/zinc/35/65/70/259356570.db2.gz KIZWCPSNWKAHDE-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CCn1cc(NC(=O)c2c[n-]nn2)cn1 ZINC000088342188 259356571 /nfs/dbraw/zinc/35/65/71/259356571.db2.gz KIZWCPSNWKAHDE-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CCn1cc(NC(=O)c2cn[n-]n2)cn1 ZINC000088342188 259356572 /nfs/dbraw/zinc/35/65/72/259356572.db2.gz KIZWCPSNWKAHDE-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM O=C(N[C@@H]1CCCOC1)c1cc(=O)[n-]cn1 ZINC000625323982 343232658 /nfs/dbraw/zinc/23/26/58/343232658.db2.gz RPTLEDMPCURYAR-SSDOTTSWSA-N -1 3 223.232 0.091 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@@H]1COC[C@H]1O ZINC000627659589 343241401 /nfs/dbraw/zinc/24/14/01/343241401.db2.gz AIEQWXKDIDYXKZ-PSASIEDQSA-N -1 3 237.255 0.190 20 0 BCADHM C[C@@H]1OCC[C@@H]1CN1CCOC[C@H]1C(=O)[O-] ZINC000634690435 343276662 /nfs/dbraw/zinc/27/66/62/343276662.db2.gz LLLOMSCVLSFQHA-AEJSXWLSSA-N -1 3 229.276 0.197 20 0 BCADHM CC[C@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948977 343294866 /nfs/dbraw/zinc/29/48/66/343294866.db2.gz ZXWHCPDPMAUTPQ-ZETCQYMHSA-N -1 3 217.294 0.734 20 0 BCADHM CC(=O)NCCNC(=O)c1ccccc1[O-] ZINC000035206774 187258412 /nfs/dbraw/zinc/25/84/12/187258412.db2.gz LPYGTKBLOQUFAD-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM CCOC(=O)CNC(=O)c1csc(=O)[n-]1 ZINC000348934539 136309381 /nfs/dbraw/zinc/30/93/81/136309381.db2.gz QJLXESPAIWELRI-UHFFFAOYSA-N -1 3 230.245 0.142 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000042208569 343431482 /nfs/dbraw/zinc/43/14/82/343431482.db2.gz ZYBDCLILWUXRFC-QMMMGPOBSA-N -1 3 237.255 0.992 20 0 BCADHM Cc1ccc([O-])c(CNC2(CC(N)=O)CCC2)n1 ZINC000351503372 136369036 /nfs/dbraw/zinc/36/90/36/136369036.db2.gz QLTWEOYLLAFUMT-UHFFFAOYSA-N -1 3 249.314 0.983 20 0 BCADHM CCc1cc(=O)[n-]c(Cn2cc(CNC)nn2)n1 ZINC000641146889 362238152 /nfs/dbraw/zinc/23/81/52/362238152.db2.gz UCKGKGLNWKDMLB-UHFFFAOYSA-N -1 3 248.290 0.104 20 0 BCADHM CN(C[C@H](O)C(F)(F)F)C(C)(C)C(=O)[O-] ZINC000082681346 343460340 /nfs/dbraw/zinc/46/03/40/343460340.db2.gz KBGAJHIRRDQWOK-YFKPBYRVSA-N -1 3 229.198 0.705 20 0 BCADHM CCCN1CCCN(C(=O)C(=O)[O-])CC1 ZINC000083961276 343511203 /nfs/dbraw/zinc/51/12/03/343511203.db2.gz NKQWGEMFQSOMGK-UHFFFAOYSA-N -1 3 214.265 0.015 20 0 BCADHM Cn1ccnc1NC(=O)Cc1cncc([O-])c1 ZINC000622708841 343517145 /nfs/dbraw/zinc/51/71/45/343517145.db2.gz NOHRAVUJBLLUKY-UHFFFAOYSA-N -1 3 232.243 0.702 20 0 BCADHM CCn1ncnc1CNC1(C(=O)[O-])CCCC1 ZINC000556657962 343557610 /nfs/dbraw/zinc/55/76/10/343557610.db2.gz MXCKMJXEFUJBPW-UHFFFAOYSA-N -1 3 238.291 0.785 20 0 BCADHM CCc1nc([N-]C(=O)c2ocnc2C)n[nH]1 ZINC000479049424 529744156 /nfs/dbraw/zinc/74/41/56/529744156.db2.gz RVNCRLJRTBNUMS-UHFFFAOYSA-N -1 3 221.220 0.916 20 0 BCADHM CC(=O)N1CCCN(CCCCC(=O)[O-])CC1 ZINC000042680366 187266408 /nfs/dbraw/zinc/26/64/08/187266408.db2.gz ARMHOIKXPJNVLB-UHFFFAOYSA-N -1 3 242.319 0.796 20 0 BCADHM CCC[C@H](O)CN1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000634694990 343621829 /nfs/dbraw/zinc/62/18/29/343621829.db2.gz NXFMLPIHVGOKOQ-HOSYDEDBSA-N -1 3 245.319 0.711 20 0 BCADHM COCCN1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000634695249 343622595 /nfs/dbraw/zinc/62/25/95/343622595.db2.gz RCKLDYIUEUSGQU-PSASIEDQSA-N -1 3 217.265 0.197 20 0 BCADHM C[C@H](O)C1(NC(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000620071283 343627279 /nfs/dbraw/zinc/62/72/79/343627279.db2.gz MOMSJOSSKUMPAI-ZETCQYMHSA-N -1 3 246.270 0.601 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CCOC(C)C ZINC000632207418 343665076 /nfs/dbraw/zinc/66/50/76/343665076.db2.gz IBVSADGYOBYIEM-UHFFFAOYSA-N -1 3 248.304 0.686 20 0 BCADHM CCO[C@H](CC)C(=O)[N-]c1nncn1C ZINC000153920204 343706293 /nfs/dbraw/zinc/70/62/93/343706293.db2.gz IZAPZTCXQIMCNZ-SSDOTTSWSA-N -1 3 212.253 0.569 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)C2CC2)CCC1 ZINC000119262458 343684242 /nfs/dbraw/zinc/68/42/42/343684242.db2.gz JZANKMMIJDMFCU-UHFFFAOYSA-N -1 3 233.289 0.164 20 0 BCADHM O=C(CNC(=O)c1ccc([O-])cc1)NCC1CC1 ZINC000393204393 343759408 /nfs/dbraw/zinc/75/94/08/343759408.db2.gz MYWWCUXPMBWPSI-UHFFFAOYSA-N -1 3 248.282 0.648 20 0 BCADHM CN(CCCO)C(=O)/C=C\c1cncc([O-])c1 ZINC000493053638 529892257 /nfs/dbraw/zinc/89/22/57/529892257.db2.gz HWGMLVTYIMPECI-ARJAWSKDSA-N -1 3 236.271 0.641 20 0 BCADHM CNC(=O)[C@@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000492473987 529895029 /nfs/dbraw/zinc/89/50/29/529895029.db2.gz NOMHJRXIAVDWNF-MPJRPATESA-N -1 3 249.270 0.051 20 0 BCADHM CCNS(=O)(=O)[N-]CC(F)(F)CC ZINC000625455421 343857185 /nfs/dbraw/zinc/85/71/85/343857185.db2.gz NRRNVOGDJXXVNY-UHFFFAOYSA-N -1 3 216.253 0.476 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2c[n-]nn2)[C@@H](C)O1 ZINC000395132045 362267903 /nfs/dbraw/zinc/26/79/03/362267903.db2.gz QPCCSTCFYNSSCA-FSDSQADBSA-N -1 3 210.237 0.100 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cnn[n-]2)[C@@H](C)O1 ZINC000395132045 362267912 /nfs/dbraw/zinc/26/79/12/362267912.db2.gz QPCCSTCFYNSSCA-FSDSQADBSA-N -1 3 210.237 0.100 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)[C@@H](C)O1 ZINC000395132045 362267915 /nfs/dbraw/zinc/26/79/15/362267915.db2.gz QPCCSTCFYNSSCA-FSDSQADBSA-N -1 3 210.237 0.100 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2c[n-]nn2)[C@H](C)O1 ZINC000395132044 362268876 /nfs/dbraw/zinc/26/88/76/362268876.db2.gz QPCCSTCFYNSSCA-DSYKOEDSSA-N -1 3 210.237 0.100 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cnn[n-]2)[C@H](C)O1 ZINC000395132044 362268880 /nfs/dbraw/zinc/26/88/80/362268880.db2.gz QPCCSTCFYNSSCA-DSYKOEDSSA-N -1 3 210.237 0.100 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)[C@H](C)O1 ZINC000395132044 362268882 /nfs/dbraw/zinc/26/88/82/362268882.db2.gz QPCCSTCFYNSSCA-DSYKOEDSSA-N -1 3 210.237 0.100 20 0 BCADHM Cc1cccc(N2CCN(C)C[C@@H](C(=O)[O-])C2)n1 ZINC000521050205 343950539 /nfs/dbraw/zinc/95/05/39/343950539.db2.gz DSBNPKNIEZZYHE-LLVKDONJSA-N -1 3 249.314 0.843 20 0 BCADHM C[C@@H]1CCN[C@@H](C(=O)N(C)CCCC(=O)[O-])C1 ZINC000161208044 133512406 /nfs/dbraw/zinc/51/24/06/133512406.db2.gz RNHWWMBOQMCBHZ-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM CC(C)c1noc([C@H](C)[N-]S(C)(=O)=O)n1 ZINC000130355712 344134196 /nfs/dbraw/zinc/13/41/96/344134196.db2.gz HEKZJOJSSQBGCF-LURJTMIESA-N -1 3 233.293 0.803 20 0 BCADHM CO[C@@H](C)C[N-]S(=O)(=O)c1conc1C ZINC000632261728 344239952 /nfs/dbraw/zinc/23/99/52/344239952.db2.gz XXDNEEGMOCXJEJ-LURJTMIESA-N -1 3 234.277 0.296 20 0 BCADHM CCC[C@@H](CCO)N=c1ncnc2[nH][n-]cc1-2 ZINC000631425149 344251267 /nfs/dbraw/zinc/25/12/67/344251267.db2.gz ACYBKAVUEJUDIE-QMMMGPOBSA-N -1 3 235.291 0.689 20 0 BCADHM CO[C@@]1(C)C[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000620554011 344252805 /nfs/dbraw/zinc/25/28/05/344252805.db2.gz ZXAJUBPKGAUUHM-SKDRFNHKSA-N -1 3 246.270 0.865 20 0 BCADHM CO[C@@]1(C)C[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000620554011 344252807 /nfs/dbraw/zinc/25/28/07/344252807.db2.gz ZXAJUBPKGAUUHM-SKDRFNHKSA-N -1 3 246.270 0.865 20 0 BCADHM CO[C@@]1(C)C[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000620554011 344252808 /nfs/dbraw/zinc/25/28/08/344252808.db2.gz ZXAJUBPKGAUUHM-SKDRFNHKSA-N -1 3 246.270 0.865 20 0 BCADHM CC=CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000384961638 344279535 /nfs/dbraw/zinc/27/95/35/344279535.db2.gz WTEVVQGYZGNVIW-IHWYPQMZSA-N -1 3 201.251 0.264 20 0 BCADHM CS(=O)(=O)[N-]c1cnn2c1CCCC2 ZINC000634795533 344376293 /nfs/dbraw/zinc/37/62/93/344376293.db2.gz AYGLZHMZFQAIBK-UHFFFAOYSA-N -1 3 215.278 0.591 20 0 BCADHM CS[C@@H](C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000590379681 347050907 /nfs/dbraw/zinc/05/09/07/347050907.db2.gz NIHXKXFKDAHPFL-BYPYZUCNSA-N -1 3 226.265 0.142 20 0 BCADHM CSCCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000590378273 347051502 /nfs/dbraw/zinc/05/15/02/347051502.db2.gz AJTFLXMENRZGGX-UHFFFAOYSA-N -1 3 226.265 0.144 20 0 BCADHM CC(C)CN(CCN(C)C)C(=O)C(=O)[O-] ZINC000042797032 344467653 /nfs/dbraw/zinc/46/76/53/344467653.db2.gz CUKGIVJUSYKTRS-UHFFFAOYSA-N -1 3 216.281 0.117 20 0 BCADHM CC[C@@H](C(=O)[O-])N1CCOC(C)(C)C1 ZINC000037374592 344506898 /nfs/dbraw/zinc/50/68/98/344506898.db2.gz OJUFXEZPBMAVMM-QMMMGPOBSA-N -1 3 201.266 0.960 20 0 BCADHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)C(C)(C)O ZINC000625960955 344601727 /nfs/dbraw/zinc/60/17/27/344601727.db2.gz OJBVMLROUUZELE-LURJTMIESA-N -1 3 225.248 0.071 20 0 BCADHM CCN(Cc1ncccc1[O-])[C@H]1CCNC1=O ZINC000581455913 347066734 /nfs/dbraw/zinc/06/67/34/347066734.db2.gz GODRNUOMNYLHHV-JTQLQIEISA-N -1 3 235.287 0.498 20 0 BCADHM O=S(=O)([N-]CC(F)F)c1cccnc1 ZINC000074969638 344766369 /nfs/dbraw/zinc/76/63/69/344766369.db2.gz KZXRRCKPVVSBBY-UHFFFAOYSA-N -1 3 222.216 0.625 20 0 BCADHM Cn1nccc1CCSCCc1nnn[n-]1 ZINC000603339790 349916752 /nfs/dbraw/zinc/91/67/52/349916752.db2.gz FIISGEVJBFIORQ-UHFFFAOYSA-N -1 3 238.320 0.452 20 0 BCADHM Cn1nccc1CCSCCc1nn[n-]n1 ZINC000603339790 349916754 /nfs/dbraw/zinc/91/67/54/349916754.db2.gz FIISGEVJBFIORQ-UHFFFAOYSA-N -1 3 238.320 0.452 20 0 BCADHM C[C@@H](SCCc1nnn[n-]1)C(=O)C1CC1 ZINC000603339844 349916288 /nfs/dbraw/zinc/91/62/88/349916288.db2.gz HKIBIFOHHGZPQF-ZCFIWIBFSA-N -1 3 226.305 0.843 20 0 BCADHM C[C@@H](SCCc1nn[n-]n1)C(=O)C1CC1 ZINC000603339844 349916292 /nfs/dbraw/zinc/91/62/92/349916292.db2.gz HKIBIFOHHGZPQF-ZCFIWIBFSA-N -1 3 226.305 0.843 20 0 BCADHM Cn1cncc1CCSCCc1nnn[n-]1 ZINC000603340448 349917538 /nfs/dbraw/zinc/91/75/38/349917538.db2.gz HXZFBMLCOULKLA-UHFFFAOYSA-N -1 3 238.320 0.452 20 0 BCADHM Cn1cncc1CCSCCc1nn[n-]n1 ZINC000603340448 349917541 /nfs/dbraw/zinc/91/75/41/349917541.db2.gz HXZFBMLCOULKLA-UHFFFAOYSA-N -1 3 238.320 0.452 20 0 BCADHM C[C@H]1OCC[C@H]1CSCCc1nnn[n-]1 ZINC000603340820 349917547 /nfs/dbraw/zinc/91/75/47/349917547.db2.gz AEGQHDMACMEIGT-SFYZADRCSA-N -1 3 228.321 0.900 20 0 BCADHM C[C@H]1OCC[C@H]1CSCCc1nn[n-]n1 ZINC000603340820 349917549 /nfs/dbraw/zinc/91/75/49/349917549.db2.gz AEGQHDMACMEIGT-SFYZADRCSA-N -1 3 228.321 0.900 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@H]2COC[C@H]2C1 ZINC000628138678 344796395 /nfs/dbraw/zinc/79/63/95/344796395.db2.gz MWGFCTLMHXHELN-RKDXNWHRSA-N -1 3 249.270 0.291 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCC2(COC2)C1 ZINC000628141951 344808201 /nfs/dbraw/zinc/80/82/01/344808201.db2.gz LAVVBYORFNPFND-UHFFFAOYSA-N -1 3 235.243 0.045 20 0 BCADHM CCNC(=O)C(C)(C)NCc1ncccc1[O-] ZINC000583364031 344821379 /nfs/dbraw/zinc/82/13/79/344821379.db2.gz GCPQVEOEHUCTAK-UHFFFAOYSA-N -1 3 237.303 0.792 20 0 BCADHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1nccn1C ZINC000628148984 344835741 /nfs/dbraw/zinc/83/57/41/344835741.db2.gz IEIHYWWFHHPPGN-SSDOTTSWSA-N -1 3 247.258 0.407 20 0 BCADHM Cn1cc([N-]S(=O)(=O)N2CCCCC2)cn1 ZINC000078236809 344835772 /nfs/dbraw/zinc/83/57/72/344835772.db2.gz HUFJHYRWGMTMJH-UHFFFAOYSA-N -1 3 244.320 0.563 20 0 BCADHM CCN(C#N)CCSCCc1nnn[n-]1 ZINC000603343001 349920257 /nfs/dbraw/zinc/92/02/57/349920257.db2.gz MRLWPSDJBPOEOT-UHFFFAOYSA-N -1 3 226.309 0.278 20 0 BCADHM CCN(C#N)CCSCCc1nn[n-]n1 ZINC000603343001 349920259 /nfs/dbraw/zinc/92/02/59/349920259.db2.gz MRLWPSDJBPOEOT-UHFFFAOYSA-N -1 3 226.309 0.278 20 0 BCADHM O=c1cc(CSCCc2nnn[n-]2)cc[nH]1 ZINC000603342340 349920287 /nfs/dbraw/zinc/92/02/87/349920287.db2.gz XWSUHVZLCAOSBR-UHFFFAOYSA-N -1 3 237.288 0.776 20 0 BCADHM O=c1cc(CSCCc2nn[n-]n2)cc[nH]1 ZINC000603342340 349920289 /nfs/dbraw/zinc/92/02/89/349920289.db2.gz XWSUHVZLCAOSBR-UHFFFAOYSA-N -1 3 237.288 0.776 20 0 BCADHM O=C1NCC[C@H]1CCSCCc1nnn[n-]1 ZINC000603342016 349920119 /nfs/dbraw/zinc/92/01/19/349920119.db2.gz VJFHXQFAAPKKTO-ZETCQYMHSA-N -1 3 241.320 0.002 20 0 BCADHM O=C1NCC[C@H]1CCSCCc1nn[n-]n1 ZINC000603342016 349920121 /nfs/dbraw/zinc/92/01/21/349920121.db2.gz VJFHXQFAAPKKTO-ZETCQYMHSA-N -1 3 241.320 0.002 20 0 BCADHM CN1CC=C(CNc2ccnc(C(=O)[O-])c2)CC1 ZINC000392258780 487535587 /nfs/dbraw/zinc/53/55/87/487535587.db2.gz DCKHXTYYNSUSEM-UHFFFAOYSA-N -1 3 247.298 0.876 20 0 BCADHM CN(C)c1nc(C(=O)N2CCCO2)cc(=O)[n-]1 ZINC000408263429 344973218 /nfs/dbraw/zinc/97/32/18/344973218.db2.gz WCIAOIXTANHIHU-UHFFFAOYSA-N -1 3 238.247 0.026 20 0 BCADHM O=C(NCC[C@@H]1CC1(F)F)c1cc(=O)[n-]cn1 ZINC000628193121 344947121 /nfs/dbraw/zinc/94/71/21/344947121.db2.gz YWIUTZLZTXEXNO-ZCFIWIBFSA-N -1 3 243.213 0.957 20 0 BCADHM O=C(c1c([O-])cccc1O)N1C[C@@H]2C[C@]2(O)C1 ZINC000641579097 362513822 /nfs/dbraw/zinc/51/38/22/362513822.db2.gz NJVKLGPUEGBADO-MADCSZMMSA-N -1 3 235.239 0.305 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC[C@H]1O ZINC000425210341 192083980 /nfs/dbraw/zinc/08/39/80/192083980.db2.gz UDMXBCDHSPFQGV-HTQZYQBOSA-N -1 3 246.288 0.093 20 0 BCADHM Cc1cccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1[O-] ZINC000641573224 362510656 /nfs/dbraw/zinc/51/06/56/362510656.db2.gz ZTBBUAABVGVROZ-NOZJJQNGSA-N -1 3 233.267 0.907 20 0 BCADHM O=C([O-])[C@H]1c2ccccc2CCN1CCO ZINC000044466935 345087817 /nfs/dbraw/zinc/08/78/17/345087817.db2.gz PQOSQUSVHIFQQH-LLVKDONJSA-N -1 3 221.256 0.663 20 0 BCADHM O=C([O-])[C@@H](C1CC1)N1CCO[C@@H](CCF)C1 ZINC000635018832 345221897 /nfs/dbraw/zinc/22/18/97/345221897.db2.gz QSLGNVDUPIOHIO-VHSXEESVSA-N -1 3 231.267 0.910 20 0 BCADHM O=C([O-])[C@@H](C1CC1)N1CCO[C@H](CCF)C1 ZINC000635018830 345222405 /nfs/dbraw/zinc/22/24/05/345222405.db2.gz QSLGNVDUPIOHIO-NXEZZACHSA-N -1 3 231.267 0.910 20 0 BCADHM CC(C)N(C)CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262637826 534993702 /nfs/dbraw/zinc/99/37/02/534993702.db2.gz GRILNUFAJBXBTF-JTQLQIEISA-N -1 3 242.319 0.792 20 0 BCADHM CCc1nnc(CSCCc2nnn[n-]2)[nH]1 ZINC000603337977 349928438 /nfs/dbraw/zinc/92/84/38/349928438.db2.gz IPHUBBAVWJEGRJ-UHFFFAOYSA-N -1 3 239.308 0.356 20 0 BCADHM CCc1nnc(CSCCc2nn[n-]n2)[nH]1 ZINC000603337977 349928440 /nfs/dbraw/zinc/92/84/40/349928440.db2.gz IPHUBBAVWJEGRJ-UHFFFAOYSA-N -1 3 239.308 0.356 20 0 BCADHM CC[C@@H](SCCc1nnn[n-]1)C(=O)OC ZINC000603337021 349927324 /nfs/dbraw/zinc/92/73/24/349927324.db2.gz GCRLPKKCKPWXJF-ZCFIWIBFSA-N -1 3 230.293 0.427 20 0 BCADHM CC[C@@H](SCCc1nn[n-]n1)C(=O)OC ZINC000603337021 349927328 /nfs/dbraw/zinc/92/73/28/349927328.db2.gz GCRLPKKCKPWXJF-ZCFIWIBFSA-N -1 3 230.293 0.427 20 0 BCADHM Cn1nccc1CSCCc1nnn[n-]1 ZINC000603337960 349927857 /nfs/dbraw/zinc/92/78/57/349927857.db2.gz IDRFPSYQEJWBGM-UHFFFAOYSA-N -1 3 224.293 0.409 20 0 BCADHM Cn1nccc1CSCCc1nn[n-]n1 ZINC000603337960 349927861 /nfs/dbraw/zinc/92/78/61/349927861.db2.gz IDRFPSYQEJWBGM-UHFFFAOYSA-N -1 3 224.293 0.409 20 0 BCADHM Cc1nnc([C@@H](C)SCCc2nnn[n-]2)[nH]1 ZINC000603339241 349929539 /nfs/dbraw/zinc/92/95/39/349929539.db2.gz CRQFHUYMXGDZKL-RXMQYKEDSA-N -1 3 239.308 0.663 20 0 BCADHM Cc1nnc([C@@H](C)SCCc2nn[n-]n2)[nH]1 ZINC000603339241 349929540 /nfs/dbraw/zinc/92/95/40/349929540.db2.gz CRQFHUYMXGDZKL-RXMQYKEDSA-N -1 3 239.308 0.663 20 0 BCADHM CCOC(=O)[C@@H](CC)SCCc1nnn[n-]1 ZINC000603337092 349928571 /nfs/dbraw/zinc/92/85/71/349928571.db2.gz KPPSWYKVKCFLRJ-SSDOTTSWSA-N -1 3 244.320 0.817 20 0 BCADHM CCOC(=O)[C@@H](CC)SCCc1nn[n-]n1 ZINC000603337092 349928573 /nfs/dbraw/zinc/92/85/73/349928573.db2.gz KPPSWYKVKCFLRJ-SSDOTTSWSA-N -1 3 244.320 0.817 20 0 BCADHM CCC[C@@H](O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000626120474 345508710 /nfs/dbraw/zinc/50/87/10/345508710.db2.gz DDNTYCZQNQFTNX-SSDOTTSWSA-N -1 3 225.248 0.073 20 0 BCADHM COCCCCSCCc1nnn[n-]1 ZINC000603338839 349929252 /nfs/dbraw/zinc/92/92/52/349929252.db2.gz JYPIXRZZBQRVGT-UHFFFAOYSA-N -1 3 216.310 0.902 20 0 BCADHM COCCCCSCCc1nn[n-]n1 ZINC000603338839 349929257 /nfs/dbraw/zinc/92/92/57/349929257.db2.gz JYPIXRZZBQRVGT-UHFFFAOYSA-N -1 3 216.310 0.902 20 0 BCADHM CS(=O)(=O)[N-]c1ccccc1-n1cnnn1 ZINC000070263216 345559303 /nfs/dbraw/zinc/55/93/03/345559303.db2.gz NFHRJZSSEQTHPW-UHFFFAOYSA-N -1 3 239.260 0.034 20 0 BCADHM CCc1cccc(C(=O)N2CC(O)C2)c1[O-] ZINC000089512488 345560017 /nfs/dbraw/zinc/56/00/17/345560017.db2.gz NYFLOZVYKYRSIV-UHFFFAOYSA-N -1 3 221.256 0.771 20 0 BCADHM CC(=O)[N-]OCC(=O)N(C)Cc1cccs1 ZINC000178193464 187307575 /nfs/dbraw/zinc/30/75/75/187307575.db2.gz ONLFKLYOINHJLU-UHFFFAOYSA-N -1 3 242.300 0.774 20 0 BCADHM CCC[C@@H]([N-]S(=O)(=O)CC)C(=O)OC ZINC000091052183 345581516 /nfs/dbraw/zinc/58/15/16/345581516.db2.gz LDBZCIVCTBUUQO-SSDOTTSWSA-N -1 3 223.294 0.267 20 0 BCADHM COC[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000641697167 362610195 /nfs/dbraw/zinc/61/01/95/362610195.db2.gz YNUXXHVBYWVWLR-ZETCQYMHSA-N -1 3 219.262 0.593 20 0 BCADHM COCCCS(=O)(=O)[N-][C@@H](C)C(F)F ZINC000641702297 362613173 /nfs/dbraw/zinc/61/31/73/362613173.db2.gz PPNFAZNKBUNKHC-LURJTMIESA-N -1 3 231.264 0.596 20 0 BCADHM CCc1cccc(C(=O)NC2(C(N)=O)CC2)c1[O-] ZINC000092600795 345640525 /nfs/dbraw/zinc/64/05/25/345640525.db2.gz OXLTUPUHYLDZJH-UHFFFAOYSA-N -1 3 248.282 0.702 20 0 BCADHM CCOC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000142784222 345701540 /nfs/dbraw/zinc/70/15/40/345701540.db2.gz ZOBSEYCZNHKYCQ-UHFFFAOYSA-N -1 3 244.272 0.630 20 0 BCADHM C[C@@H]1[C@H](C)OCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000626151843 345779371 /nfs/dbraw/zinc/77/93/71/345779371.db2.gz WPUXLZMVBAQUAB-SFYZADRCSA-N -1 3 237.259 0.432 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@H]1CO ZINC000635740520 346041512 /nfs/dbraw/zinc/04/15/12/346041512.db2.gz RQKAJLBMOLMFQG-QMMMGPOBSA-N -1 3 240.234 0.523 20 0 BCADHM O=C(NC1(CO)CC1)c1cc(F)c[n-]c1=O ZINC000635730619 346042162 /nfs/dbraw/zinc/04/21/62/346042162.db2.gz MDAKVTFMCNZXOS-UHFFFAOYSA-N -1 3 226.207 0.181 20 0 BCADHM C[C@@H]1CCN(C(=O)C(N)=O)c2c([O-])cccc21 ZINC000635807610 346072734 /nfs/dbraw/zinc/07/27/34/346072734.db2.gz NXWRIEKOEKIDHV-SSDOTTSWSA-N -1 3 234.255 0.718 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@]2(C)CCNC2=O)n1 ZINC000635870105 346092394 /nfs/dbraw/zinc/09/23/94/346092394.db2.gz VEAOFSAZCZDSQK-GFCCVEGCSA-N -1 3 249.270 0.560 20 0 BCADHM Cc1cccc(C(=O)N2CC(=O)N[C@@H](C)C2)c1[O-] ZINC000296314461 179007523 /nfs/dbraw/zinc/00/75/23/179007523.db2.gz SOJVTHPJNXWKIQ-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM Cc1cccc(C(=O)NCCC(N)=O)c1[O-] ZINC000036747599 179015942 /nfs/dbraw/zinc/01/59/42/179015942.db2.gz OFWMTKBMMKPATG-UHFFFAOYSA-N -1 3 222.244 0.306 20 0 BCADHM Cc1cccc(C(=O)NCCCO)c1[O-] ZINC000035102320 179016319 /nfs/dbraw/zinc/01/63/19/179016319.db2.gz DUHGKSAMANWQSL-UHFFFAOYSA-N -1 3 209.245 0.813 20 0 BCADHM Cc1cccc(C(=O)NN2CCCNC2=O)c1[O-] ZINC000273054205 179019933 /nfs/dbraw/zinc/01/99/33/179019933.db2.gz IDAUJJJZWZVFIB-UHFFFAOYSA-N -1 3 249.270 0.761 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc[nH]1)C2 ZINC000636282303 346377431 /nfs/dbraw/zinc/37/74/31/346377431.db2.gz NBEROHXKBUAZOR-UHFFFAOYSA-N -1 3 244.254 0.975 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H]1CCCO1)C2 ZINC000636281580 346377446 /nfs/dbraw/zinc/37/74/46/346377446.db2.gz APKUURLNCRVDPF-SNVBAGLBSA-N -1 3 249.270 0.512 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccon1)C2 ZINC000636284382 346378116 /nfs/dbraw/zinc/37/81/16/346378116.db2.gz XIACTKQLSUQUHM-UHFFFAOYSA-N -1 3 246.226 0.635 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cocn1)C2 ZINC000636285871 346379120 /nfs/dbraw/zinc/37/91/20/346379120.db2.gz YMQGQFZJPYSEMZ-UHFFFAOYSA-N -1 3 246.226 0.635 20 0 BCADHM Cc1c[nH]nc1CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000328854579 537971674 /nfs/dbraw/zinc/97/16/74/537971674.db2.gz WLUMSQDKGFJRLV-SECBINFHSA-N -1 3 249.274 0.294 20 0 BCADHM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)CCC1CC1 ZINC000580069177 346508728 /nfs/dbraw/zinc/50/87/28/346508728.db2.gz ONHJCWWIYNRLBV-NXEZZACHSA-N -1 3 249.332 0.120 20 0 BCADHM COC(=O)[C@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000590418707 347098882 /nfs/dbraw/zinc/09/88/82/347098882.db2.gz DAOFGDNRTAXVCQ-ZETCQYMHSA-N -1 3 238.243 0.007 20 0 BCADHM COC[C@@H](C)CNC(=O)c1cccc2nn[n-]c21 ZINC000187495366 346580402 /nfs/dbraw/zinc/58/04/02/346580402.db2.gz VNNIKHLBTUSREQ-QMMMGPOBSA-N -1 3 248.286 0.970 20 0 BCADHM COC[C@@H](C)CNC(=O)c1cccc2[n-]nnc21 ZINC000187495366 346580406 /nfs/dbraw/zinc/58/04/06/346580406.db2.gz VNNIKHLBTUSREQ-QMMMGPOBSA-N -1 3 248.286 0.970 20 0 BCADHM COC[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC000187495366 346580410 /nfs/dbraw/zinc/58/04/10/346580410.db2.gz VNNIKHLBTUSREQ-QMMMGPOBSA-N -1 3 248.286 0.970 20 0 BCADHM CCn1ccc(NC(=O)c2nnc[n-]2)n1 ZINC000300894777 346635581 /nfs/dbraw/zinc/63/55/81/346635581.db2.gz PDFTVTNHNHZNQY-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CCn1ccc(NC(=O)c2nc[n-]n2)n1 ZINC000300894777 346635582 /nfs/dbraw/zinc/63/55/82/346635582.db2.gz PDFTVTNHNHZNQY-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CC(=O)N1CC(NC(=O)c2ccc(C)cc2[O-])C1 ZINC000176632823 365850687 /nfs/dbraw/zinc/85/06/87/365850687.db2.gz ADNIWEJPEDINQG-UHFFFAOYSA-N -1 3 248.282 0.661 20 0 BCADHM C[C@@H](CO)CSCc1n[n-]c(=O)s1 ZINC000308252758 346776743 /nfs/dbraw/zinc/77/67/43/346776743.db2.gz IOROXZXHXNSXHP-YFKPBYRVSA-N -1 3 220.319 0.693 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC(=O)N1 ZINC000271389395 179160083 /nfs/dbraw/zinc/16/00/83/179160083.db2.gz VCINYLCUXSEIOW-MRVPVSSYSA-N -1 3 234.255 0.918 20 0 BCADHM O=C(NCC(F)F)c1cccc2nn[n-]c21 ZINC000188250082 346796944 /nfs/dbraw/zinc/79/69/44/346796944.db2.gz HXAMTCFONURKFP-UHFFFAOYSA-N -1 3 226.186 0.953 20 0 BCADHM O=C(NCC(F)F)c1cccc2[n-]nnc21 ZINC000188250082 346796945 /nfs/dbraw/zinc/79/69/45/346796945.db2.gz HXAMTCFONURKFP-UHFFFAOYSA-N -1 3 226.186 0.953 20 0 BCADHM O=C(NCC(F)F)c1cccc2n[n-]nc21 ZINC000188250082 346796948 /nfs/dbraw/zinc/79/69/48/346796948.db2.gz HXAMTCFONURKFP-UHFFFAOYSA-N -1 3 226.186 0.953 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)C1(C(C)C)CC1 ZINC000601299736 347174967 /nfs/dbraw/zinc/17/49/67/347174967.db2.gz QVUJHVQWDKQGFD-UHFFFAOYSA-N -1 3 235.305 0.267 20 0 BCADHM O=C1CCN(Cc2cc([O-])cc(F)c2)CCN1 ZINC000186214900 347228418 /nfs/dbraw/zinc/22/84/18/347228418.db2.gz WPIQSGQQKOALIL-UHFFFAOYSA-N -1 3 238.262 0.853 20 0 BCADHM CCS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000036736313 347448519 /nfs/dbraw/zinc/44/85/19/347448519.db2.gz OORSNLYDUBLYNO-UHFFFAOYSA-N -1 3 203.267 0.788 20 0 BCADHM CN1CCN(Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000571533695 323147279 /nfs/dbraw/zinc/14/72/79/323147279.db2.gz YCVHUMVIXSHYSM-UHFFFAOYSA-N -1 3 225.296 0.036 20 0 BCADHM O=C(N[C@H]1CCNC1=O)c1ccccc1[O-] ZINC000616968324 347548321 /nfs/dbraw/zinc/54/83/21/347548321.db2.gz VRMUBNHCFHZICK-QMMMGPOBSA-N -1 3 220.228 0.011 20 0 BCADHM Cc1cccnc1NC(=O)c1cnn[n-]1 ZINC000048936510 323156137 /nfs/dbraw/zinc/15/61/37/323156137.db2.gz VVQPCGYKBARVIC-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1cccnc1NC(=O)c1c[n-]nn1 ZINC000048936510 323156138 /nfs/dbraw/zinc/15/61/38/323156138.db2.gz VVQPCGYKBARVIC-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1cccnc1NC(=O)c1cn[n-]n1 ZINC000048936510 323156139 /nfs/dbraw/zinc/15/61/39/323156139.db2.gz VVQPCGYKBARVIC-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM CCCS(=O)(=O)[N-][C@@H](CCF)C(=O)OC ZINC000593634564 347918617 /nfs/dbraw/zinc/91/86/17/347918617.db2.gz WTTZWLUHLRNWHH-ZETCQYMHSA-N -1 3 241.284 0.217 20 0 BCADHM COC(C)(C)C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000577391132 365944175 /nfs/dbraw/zinc/94/41/75/365944175.db2.gz YJEUHVHQJKPONW-UHFFFAOYSA-N -1 3 247.320 0.123 20 0 BCADHM CC[C@@H]1CCCCN1CCN=c1nn[n-]n1C ZINC000603493542 349982501 /nfs/dbraw/zinc/98/25/01/349982501.db2.gz IBCVTZRMNJZBOM-SNVBAGLBSA-N -1 3 238.339 0.308 20 0 BCADHM CC(C)n1cc([N-]S(=O)(=O)N(C)C)cn1 ZINC000308900953 323180986 /nfs/dbraw/zinc/18/09/86/323180986.db2.gz KEPARNHUOIJHTL-UHFFFAOYSA-N -1 3 232.309 0.682 20 0 BCADHM CCC(CC)C[N-]S(=O)(=O)c1nncn1C ZINC000631904763 362915611 /nfs/dbraw/zinc/91/56/11/362915611.db2.gz XTXYGSSDCNOKAY-UHFFFAOYSA-N -1 3 246.336 0.530 20 0 BCADHM CCOC(=O)c1cc(-c2ncnn2C)n[n-]1 ZINC000596646267 348604160 /nfs/dbraw/zinc/60/41/60/348604160.db2.gz PTAGWGKYEMMTJE-UHFFFAOYSA-N -1 3 221.220 0.382 20 0 BCADHM CCSC1(CNC(=O)c2c[n-]nn2)CC1 ZINC000598334452 348927370 /nfs/dbraw/zinc/92/73/70/348927370.db2.gz WXYKLLAOJWCATC-UHFFFAOYSA-N -1 3 226.305 0.820 20 0 BCADHM CCSC1(CNC(=O)c2cnn[n-]2)CC1 ZINC000598334452 348927372 /nfs/dbraw/zinc/92/73/72/348927372.db2.gz WXYKLLAOJWCATC-UHFFFAOYSA-N -1 3 226.305 0.820 20 0 BCADHM CCSC1(CNC(=O)c2cn[n-]n2)CC1 ZINC000598334452 348927375 /nfs/dbraw/zinc/92/73/75/348927375.db2.gz WXYKLLAOJWCATC-UHFFFAOYSA-N -1 3 226.305 0.820 20 0 BCADHM CCCNC(=O)NCc1ncccc1[O-] ZINC000349100758 535094380 /nfs/dbraw/zinc/09/43/80/535094380.db2.gz CYZBLYIQCBLCSE-UHFFFAOYSA-N -1 3 209.249 0.996 20 0 BCADHM CC(C)n1cc(C[N-]c2nnco2)nn1 ZINC000309023511 349316407 /nfs/dbraw/zinc/31/64/07/349316407.db2.gz YRIAENSZMVBEBI-UHFFFAOYSA-N -1 3 208.225 0.854 20 0 BCADHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)CC1CCC1 ZINC000333923588 538041999 /nfs/dbraw/zinc/04/19/99/538041999.db2.gz SIQGIQZAHUKNAJ-VHSXEESVSA-N -1 3 249.332 0.120 20 0 BCADHM CCOC(=O)Cn1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000601953653 349398514 /nfs/dbraw/zinc/39/85/14/349398514.db2.gz MRKJZMKRNCPVPI-XCBNKYQSSA-N -1 3 224.260 0.794 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@@H]1C=CCC1 ZINC000603807958 350036521 /nfs/dbraw/zinc/03/65/21/350036521.db2.gz CPVGNNPOEZXAFX-MNOVXSKESA-N -1 3 249.314 0.971 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CCCC1 ZINC000603808095 350036778 /nfs/dbraw/zinc/03/67/78/350036778.db2.gz IEXSZJMAIQHVDM-SNVBAGLBSA-N -1 3 237.303 0.805 20 0 BCADHM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1c[n-]nn1 ZINC000618509513 350040954 /nfs/dbraw/zinc/04/09/54/350040954.db2.gz VBZUDQLQZKSGME-XHNCKOQMSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cnn[n-]1 ZINC000618509513 350040958 /nfs/dbraw/zinc/04/09/58/350040958.db2.gz VBZUDQLQZKSGME-XHNCKOQMSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cn[n-]n1 ZINC000618509513 350040963 /nfs/dbraw/zinc/04/09/63/350040963.db2.gz VBZUDQLQZKSGME-XHNCKOQMSA-N -1 3 220.276 0.971 20 0 BCADHM CC(C)(C)c1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000077890096 191006771 /nfs/dbraw/zinc/00/67/71/191006771.db2.gz HRNVBJMPPOFJOW-UHFFFAOYSA-N -1 3 238.247 0.419 20 0 BCADHM O=C(Nc1ccc2nccn2c1)c1cnn[n-]1 ZINC000603884315 350048841 /nfs/dbraw/zinc/04/88/41/350048841.db2.gz SHVAUDXUNJPDGH-UHFFFAOYSA-N -1 3 228.215 0.705 20 0 BCADHM O=C(Nc1ccc2nccn2c1)c1c[n-]nn1 ZINC000603884315 350048843 /nfs/dbraw/zinc/04/88/43/350048843.db2.gz SHVAUDXUNJPDGH-UHFFFAOYSA-N -1 3 228.215 0.705 20 0 BCADHM O=C(Nc1ccc2nccn2c1)c1cn[n-]n1 ZINC000603884315 350048845 /nfs/dbraw/zinc/04/88/45/350048845.db2.gz SHVAUDXUNJPDGH-UHFFFAOYSA-N -1 3 228.215 0.705 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C2CCCC2)c1 ZINC000021927543 350059564 /nfs/dbraw/zinc/05/95/64/350059564.db2.gz CEXFOKOCKQXKBH-UHFFFAOYSA-N -1 3 229.305 0.641 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]CC2(C)CC2)cn1C ZINC000336419320 180029006 /nfs/dbraw/zinc/02/90/06/180029006.db2.gz GAZJQRMGCQUPIT-UHFFFAOYSA-N -1 3 243.332 0.807 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C2CCCC2)cn1C ZINC000021940678 180029194 /nfs/dbraw/zinc/02/91/94/180029194.db2.gz BJKRQEISHWVWFC-UHFFFAOYSA-N -1 3 243.332 0.949 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C(C)C ZINC000176050583 180026222 /nfs/dbraw/zinc/02/62/22/180026222.db2.gz HHDMDPFWCPMZOP-UHFFFAOYSA-N -1 3 211.221 0.791 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1CCCO1 ZINC000267842718 180026983 /nfs/dbraw/zinc/02/69/83/180026983.db2.gz NVKDVRGVUXNFCN-ZCFIWIBFSA-N -1 3 239.231 0.314 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CCCO1 ZINC000267842717 180027049 /nfs/dbraw/zinc/02/70/49/180027049.db2.gz NVKDVRGVUXNFCN-LURJTMIESA-N -1 3 239.231 0.314 20 0 BCADHM CC(C)c1nc(S(=O)(=O)[N-]C[C@@H](C)O)c[nH]1 ZINC000123638679 490346632 /nfs/dbraw/zinc/34/66/32/490346632.db2.gz DCPCVAZWMJTOTB-SSDOTTSWSA-N -1 3 247.320 0.192 20 0 BCADHM C[C@H](O)CS(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000427059747 191052636 /nfs/dbraw/zinc/05/26/36/191052636.db2.gz NSSAPDOWOQUSNA-LURJTMIESA-N -1 3 230.289 0.053 20 0 BCADHM Cc1c[nH]nc1CNCc1cnc(C)[n-]c1=O ZINC000352835299 180155457 /nfs/dbraw/zinc/15/54/57/180155457.db2.gz LAZKIBAQCKAOAT-UHFFFAOYSA-N -1 3 233.275 0.812 20 0 BCADHM Cc1ncc(CNC(=O)COC(F)F)c(=O)[n-]1 ZINC000354592792 180148555 /nfs/dbraw/zinc/14/85/55/180148555.db2.gz CUUASRDDEZNGBK-UHFFFAOYSA-N -1 3 247.201 0.346 20 0 BCADHM Cc1cnn(C)c1CNCc1cnc(C)[n-]c1=O ZINC000352741555 180152114 /nfs/dbraw/zinc/15/21/14/180152114.db2.gz HLOFVJGNEKTQRP-UHFFFAOYSA-N -1 3 247.302 0.822 20 0 BCADHM C[C@@H](CO)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000035234225 358456516 /nfs/dbraw/zinc/45/65/16/358456516.db2.gz UAEYVWMPMAJXKH-QMMMGPOBSA-N -1 3 246.266 0.639 20 0 BCADHM O=S(=O)([N-]C[C@H]1CCCCO1)c1c[nH]cn1 ZINC000069948882 350471791 /nfs/dbraw/zinc/47/17/91/350471791.db2.gz HLJHFRKBQBILKC-MRVPVSSYSA-N -1 3 245.304 0.257 20 0 BCADHM CCN(CCO)C(=O)c1ccc(O)cc1[O-] ZINC000037862173 323372479 /nfs/dbraw/zinc/37/24/79/323372479.db2.gz QDRANWPVDHVKSN-UHFFFAOYSA-N -1 3 225.244 0.552 20 0 BCADHM CS[C@@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000157895637 191111422 /nfs/dbraw/zinc/11/14/22/191111422.db2.gz NDFOVQKKWBURLO-LURJTMIESA-N -1 3 235.334 0.440 20 0 BCADHM CCN(CCCO)C(=O)c1cc(=O)[n-]cn1 ZINC000626273344 350549177 /nfs/dbraw/zinc/54/91/77/350549177.db2.gz NDKCDACPIUJVML-UHFFFAOYSA-N -1 3 225.248 0.027 20 0 BCADHM C[C@H]1CCC[C@@H](CNC(=O)c2c[n-]nn2)O1 ZINC000618573771 350603178 /nfs/dbraw/zinc/60/31/78/350603178.db2.gz FEDAXACGXFHOMI-YUMQZZPRSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@H]1CCC[C@@H](CNC(=O)c2cnn[n-]2)O1 ZINC000618573771 350603181 /nfs/dbraw/zinc/60/31/81/350603181.db2.gz FEDAXACGXFHOMI-YUMQZZPRSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@H]1CCC[C@@H](CNC(=O)c2cn[n-]n2)O1 ZINC000618573771 350603183 /nfs/dbraw/zinc/60/31/83/350603183.db2.gz FEDAXACGXFHOMI-YUMQZZPRSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H]1CCC[C@@H](CNC(=O)c2c[n-]nn2)O1 ZINC000618573770 350603252 /nfs/dbraw/zinc/60/32/52/350603252.db2.gz FEDAXACGXFHOMI-SFYZADRCSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cnn[n-]2)O1 ZINC000618573770 350603255 /nfs/dbraw/zinc/60/32/55/350603255.db2.gz FEDAXACGXFHOMI-SFYZADRCSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cn[n-]n2)O1 ZINC000618573770 350603257 /nfs/dbraw/zinc/60/32/57/350603257.db2.gz FEDAXACGXFHOMI-SFYZADRCSA-N -1 3 224.264 0.492 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CCF)n1 ZINC000336653537 350589210 /nfs/dbraw/zinc/58/92/10/350589210.db2.gz MIWGAKPBFAPHIQ-UHFFFAOYSA-N -1 3 207.230 0.110 20 0 BCADHM CCc1nnc(S(=O)(=O)CCF)[n-]1 ZINC000336653537 350589212 /nfs/dbraw/zinc/58/92/12/350589212.db2.gz MIWGAKPBFAPHIQ-UHFFFAOYSA-N -1 3 207.230 0.110 20 0 BCADHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2c[nH]cn2)O1 ZINC000397913390 350606787 /nfs/dbraw/zinc/60/67/87/350606787.db2.gz MCZVUDKDNJBYHV-HTQZYQBOSA-N -1 3 245.304 0.256 20 0 BCADHM CCc1cnc(CNC(=O)c2c[n-]nn2)o1 ZINC000232075454 350652596 /nfs/dbraw/zinc/65/25/96/350652596.db2.gz HNTHYDMMTFSPBJ-UHFFFAOYSA-N -1 3 221.220 0.285 20 0 BCADHM CCc1cnc(CNC(=O)c2cnn[n-]2)o1 ZINC000232075454 350652599 /nfs/dbraw/zinc/65/25/99/350652599.db2.gz HNTHYDMMTFSPBJ-UHFFFAOYSA-N -1 3 221.220 0.285 20 0 BCADHM CCc1cnc(CNC(=O)c2cn[n-]n2)o1 ZINC000232075454 350652603 /nfs/dbraw/zinc/65/26/03/350652603.db2.gz HNTHYDMMTFSPBJ-UHFFFAOYSA-N -1 3 221.220 0.285 20 0 BCADHM COc1ccc([N+](=O)[O-])c(Cc2nnn[n-]2)c1 ZINC000095191435 350656182 /nfs/dbraw/zinc/65/61/82/350656182.db2.gz LMBPIFMXWBFSCE-UHFFFAOYSA-N -1 3 235.203 0.707 20 0 BCADHM COc1ccc([N+](=O)[O-])c(Cc2nn[n-]n2)c1 ZINC000095191435 350656186 /nfs/dbraw/zinc/65/61/86/350656186.db2.gz LMBPIFMXWBFSCE-UHFFFAOYSA-N -1 3 235.203 0.707 20 0 BCADHM O=C1CCCC[C@H]1Sc1n[n-]c(CO)n1 ZINC000577572694 365996843 /nfs/dbraw/zinc/99/68/43/365996843.db2.gz DHENMQPTTHPFRF-SSDOTTSWSA-N -1 3 227.289 0.901 20 0 BCADHM CC[C@](C)(CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626279020 350824558 /nfs/dbraw/zinc/82/45/58/350824558.db2.gz LZPQZXNDZZHXDO-SNVBAGLBSA-N -1 3 225.248 0.073 20 0 BCADHM CC1(C[N-]S(=O)(=O)c2c[nH]cn2)CC1 ZINC000224009715 535156023 /nfs/dbraw/zinc/15/60/23/535156023.db2.gz OPWCNDHCDPKARD-UHFFFAOYSA-N -1 3 215.278 0.488 20 0 BCADHM C[C@H](O)C(C)(C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626324935 350965039 /nfs/dbraw/zinc/96/50/39/350965039.db2.gz ZCAGXVFSGDHWCH-LURJTMIESA-N -1 3 225.248 0.071 20 0 BCADHM O=C(N[C@@H](CO)CC1CC1)c1cc(=O)[n-]cn1 ZINC000626339630 350989198 /nfs/dbraw/zinc/98/91/98/350989198.db2.gz MDKPMJPQMOJJRE-MRVPVSSYSA-N -1 3 237.259 0.073 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H]1CNC(=O)C1 ZINC000626380546 351022017 /nfs/dbraw/zinc/02/20/17/351022017.db2.gz PAVMFTTWTGXPMX-MRVPVSSYSA-N -1 3 234.255 0.319 20 0 BCADHM CN(Cc1ccnn1C)C(C)(C)C(=O)[O-] ZINC000083408833 351265193 /nfs/dbraw/zinc/26/51/93/351265193.db2.gz OJZFYMYLGHSUKX-UHFFFAOYSA-N -1 3 211.265 0.715 20 0 BCADHM CCC[C@@H](CNC(=O)c1c[n-]nn1)OCC ZINC000628348247 351306273 /nfs/dbraw/zinc/30/62/73/351306273.db2.gz GUJQWEYAIABALD-QMMMGPOBSA-N -1 3 226.280 0.740 20 0 BCADHM CCC[C@@H](CNC(=O)c1cnn[n-]1)OCC ZINC000628348247 351306277 /nfs/dbraw/zinc/30/62/77/351306277.db2.gz GUJQWEYAIABALD-QMMMGPOBSA-N -1 3 226.280 0.740 20 0 BCADHM CCC[C@@H](CNC(=O)c1cn[n-]n1)OCC ZINC000628348247 351306279 /nfs/dbraw/zinc/30/62/79/351306279.db2.gz GUJQWEYAIABALD-QMMMGPOBSA-N -1 3 226.280 0.740 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]C[C@H]1CC1(C)C ZINC000631953637 363039408 /nfs/dbraw/zinc/03/94/08/363039408.db2.gz OUGLRMCIEZHJGB-SSDOTTSWSA-N -1 3 244.320 0.140 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H](C)C(N)=O ZINC000623602285 363040282 /nfs/dbraw/zinc/04/02/82/363040282.db2.gz JWPRVGJWUIUJQJ-SSDOTTSWSA-N -1 3 222.244 0.304 20 0 BCADHM COc1nc(C(=O)[N-]c2nncn2C2CC2)co1 ZINC000626977509 363075732 /nfs/dbraw/zinc/07/57/32/363075732.db2.gz RBOVKKVJBYSAML-UHFFFAOYSA-N -1 3 249.230 0.862 20 0 BCADHM C[C@H]1CN(C(=O)Cc2cncc([O-])c2)CCO1 ZINC000577625971 366024725 /nfs/dbraw/zinc/02/47/25/366024725.db2.gz YEQHBMRMLJIMQS-VIFPVBQESA-N -1 3 236.271 0.577 20 0 BCADHM c1[n-][nH]c2ncnc(=NC[C@H]3CC34CC4)c1-2 ZINC000577711331 366040922 /nfs/dbraw/zinc/04/09/22/366040922.db2.gz VYWGYMJEWMEWMB-SSDOTTSWSA-N -1 3 215.260 0.938 20 0 BCADHM C[C@H]1CN(C(=O)c2ncccc2[O-])CCN1 ZINC000083814289 351948780 /nfs/dbraw/zinc/94/87/80/351948780.db2.gz DUOSVBORBMRGDS-QMMMGPOBSA-N -1 3 221.260 0.221 20 0 BCADHM C[C@@H]1CC[C@@H](C(=O)Nc2[n-]nnc2C(N)=O)C1 ZINC000410863777 191150515 /nfs/dbraw/zinc/15/05/15/191150515.db2.gz YYLZVYYMZLUWTL-PHDIDXHHSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@@H]1CC[C@@H](C(=O)Nc2nn[n-]c2C(N)=O)C1 ZINC000410863777 191150518 /nfs/dbraw/zinc/15/05/18/191150518.db2.gz YYLZVYYMZLUWTL-PHDIDXHHSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@@H]1CC[C@@H](C(=O)Nc2n[n-]nc2C(N)=O)C1 ZINC000410863777 191150520 /nfs/dbraw/zinc/15/05/20/191150520.db2.gz YYLZVYYMZLUWTL-PHDIDXHHSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@@H]1CC[C@H](C(=O)Nc2[n-]nnc2C(N)=O)C1 ZINC000410863778 191150697 /nfs/dbraw/zinc/15/06/97/191150697.db2.gz YYLZVYYMZLUWTL-RITPCOANSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@@H]1CC[C@H](C(=O)Nc2nn[n-]c2C(N)=O)C1 ZINC000410863778 191150700 /nfs/dbraw/zinc/15/07/00/191150700.db2.gz YYLZVYYMZLUWTL-RITPCOANSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@@H]1CC[C@H](C(=O)Nc2n[n-]nc2C(N)=O)C1 ZINC000410863778 191150701 /nfs/dbraw/zinc/15/07/01/191150701.db2.gz YYLZVYYMZLUWTL-RITPCOANSA-N -1 3 237.263 0.278 20 0 BCADHM CC1(NC(=O)c2cc(F)c[n-]c2=O)COC1 ZINC000630075142 363160611 /nfs/dbraw/zinc/16/06/11/363160611.db2.gz CLGRZVPBNYRANM-UHFFFAOYSA-N -1 3 226.207 0.445 20 0 BCADHM CC[C@H](CNC(=O)c1cc(=O)[n-]cn1)OC ZINC000627408761 352577789 /nfs/dbraw/zinc/57/77/89/352577789.db2.gz IEAUPVJJFDWXOF-SSDOTTSWSA-N -1 3 225.248 0.337 20 0 BCADHM C[C@]1(CCNC(=O)c2c[n-]nn2)CC1(F)F ZINC000618625556 352649287 /nfs/dbraw/zinc/64/92/87/352649287.db2.gz CDZGNSPIEWKERP-QMMMGPOBSA-N -1 3 230.218 0.970 20 0 BCADHM C[C@]1(CCNC(=O)c2cnn[n-]2)CC1(F)F ZINC000618625556 352649288 /nfs/dbraw/zinc/64/92/88/352649288.db2.gz CDZGNSPIEWKERP-QMMMGPOBSA-N -1 3 230.218 0.970 20 0 BCADHM C[C@]1(CCNC(=O)c2cn[n-]n2)CC1(F)F ZINC000618625556 352649292 /nfs/dbraw/zinc/64/92/92/352649292.db2.gz CDZGNSPIEWKERP-QMMMGPOBSA-N -1 3 230.218 0.970 20 0 BCADHM CC[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCO1 ZINC000336744418 352695916 /nfs/dbraw/zinc/69/59/16/352695916.db2.gz UXEZYPUGHMPKAZ-SFYZADRCSA-N -1 3 226.280 0.558 20 0 BCADHM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1c[nH]cn1 ZINC000334185401 352773776 /nfs/dbraw/zinc/77/37/76/352773776.db2.gz FAZYHZSGAOLHOW-BQBZGAKWSA-N -1 3 233.268 0.579 20 0 BCADHM Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)cn1 ZINC000334331239 352967639 /nfs/dbraw/zinc/96/76/39/352967639.db2.gz POUSUEYJMDUNMZ-BDAKNGLRSA-N -1 3 247.295 0.589 20 0 BCADHM COc1ccc([O-])c(C(=O)N(C)C[C@H](C)O)c1 ZINC000051819001 187954372 /nfs/dbraw/zinc/95/43/72/187954372.db2.gz APFITTMFZNCLIQ-QMMMGPOBSA-N -1 3 239.271 0.854 20 0 BCADHM CC(C)[C@H](C)N(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000264851357 188021550 /nfs/dbraw/zinc/02/15/50/188021550.db2.gz NESFKKQFPWHUNV-QMMMGPOBSA-N -1 3 241.291 0.041 20 0 BCADHM C[C@H]1C[C@@H]1c1cc(NC(=O)c2nnc[n-]2)n[nH]1 ZINC000272639906 188025886 /nfs/dbraw/zinc/02/58/86/188025886.db2.gz CIBQGSNCRVKFDU-WDSKDSINSA-N -1 3 232.247 0.904 20 0 BCADHM C[C@H]1C[C@@H]1c1cc(NC(=O)c2nc[n-]n2)n[nH]1 ZINC000272639906 188025888 /nfs/dbraw/zinc/02/58/88/188025888.db2.gz CIBQGSNCRVKFDU-WDSKDSINSA-N -1 3 232.247 0.904 20 0 BCADHM CC1(C)SC[C@H]1NC(=O)c1c[n-]nn1 ZINC000276529812 188028560 /nfs/dbraw/zinc/02/85/60/188028560.db2.gz CYGGORDWSUFGMP-ZCFIWIBFSA-N -1 3 212.278 0.429 20 0 BCADHM CC1(C)SC[C@H]1NC(=O)c1cnn[n-]1 ZINC000276529812 188028561 /nfs/dbraw/zinc/02/85/61/188028561.db2.gz CYGGORDWSUFGMP-ZCFIWIBFSA-N -1 3 212.278 0.429 20 0 BCADHM CC1(C)SC[C@H]1NC(=O)c1cn[n-]n1 ZINC000276529812 188028562 /nfs/dbraw/zinc/02/85/62/188028562.db2.gz CYGGORDWSUFGMP-ZCFIWIBFSA-N -1 3 212.278 0.429 20 0 BCADHM CC(=O)c1ccc(C(=O)NC[C@@H](C)O)cc1[O-] ZINC000412224178 191269058 /nfs/dbraw/zinc/26/90/58/191269058.db2.gz IASFYGRPKVBJCI-SSDOTTSWSA-N -1 3 237.255 0.705 20 0 BCADHM CC(C)(C)N1CC[C@](F)(C(=O)[N-]OCCO)C1 ZINC000368651404 188246385 /nfs/dbraw/zinc/24/63/85/188246385.db2.gz HJHWFADMSNPKPV-LLVKDONJSA-N -1 3 248.298 0.239 20 0 BCADHM O=c1[n-]nc(CN2CCN3CCC[C@H]3C2)s1 ZINC000377753597 188252360 /nfs/dbraw/zinc/25/23/60/188252360.db2.gz IMCDPSVQHOAEEQ-QMMMGPOBSA-N -1 3 240.332 0.524 20 0 BCADHM CC(=O)NCC[N-]C(=O)C(F)(F)C(F)F ZINC000226597642 188254550 /nfs/dbraw/zinc/25/45/50/188254550.db2.gz UGVRATCPIXFXCL-UHFFFAOYSA-N -1 3 230.161 0.139 20 0 BCADHM Oc1[n-]c(NCC2CC2)nc2nncc1-2 ZINC000274713200 188264575 /nfs/dbraw/zinc/26/45/75/188264575.db2.gz YUQCMPFKZJAEGT-UHFFFAOYSA-N -1 3 205.221 0.880 20 0 BCADHM COc1ccc(NC(=O)CNC(C)=O)c([O-])c1 ZINC000135415009 538115363 /nfs/dbraw/zinc/11/53/63/538115363.db2.gz MAQSOXHHTLVHDZ-UHFFFAOYSA-N -1 3 238.243 0.475 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000084517504 353320520 /nfs/dbraw/zinc/32/05/20/353320520.db2.gz REYRXOYGHOYVBJ-UHFFFAOYSA-N -1 3 233.245 0.039 20 0 BCADHM CC(=O)N(C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000174888194 188340953 /nfs/dbraw/zinc/34/09/53/188340953.db2.gz DBFXMFUXRRLYPJ-UHFFFAOYSA-N -1 3 240.234 0.948 20 0 BCADHM CC(=O)N1CC(C(=O)Nc2ccccc2[O-])C1 ZINC000191775179 188351003 /nfs/dbraw/zinc/35/10/03/188351003.db2.gz KLGGQXFIKNYEIW-UHFFFAOYSA-N -1 3 234.255 0.809 20 0 BCADHM C=CC(=O)NCC[N-]C(=O)C(F)(F)C(F)F ZINC000267249332 188373288 /nfs/dbraw/zinc/37/32/88/188373288.db2.gz KVTBJJKOFZBLAZ-UHFFFAOYSA-N -1 3 242.172 0.305 20 0 BCADHM CC(C)(O)CON=C([O-])Nc1cccnc1 ZINC000285074237 188385827 /nfs/dbraw/zinc/38/58/27/188385827.db2.gz XSTQBLOMBMWJQT-UHFFFAOYSA-N -1 3 225.248 0.906 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Nc1cccnc1 ZINC000285074237 188385828 /nfs/dbraw/zinc/38/58/28/188385828.db2.gz XSTQBLOMBMWJQT-UHFFFAOYSA-N -1 3 225.248 0.906 20 0 BCADHM CNC(=O)C[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000323023298 353738009 /nfs/dbraw/zinc/73/80/09/353738009.db2.gz SFKQPGDHMYWQRA-MRVPVSSYSA-N -1 3 236.271 0.647 20 0 BCADHM C[C@H]1OCC[C@@]1(C)N=c1ncnc2[nH][n-]cc1-2 ZINC000343567239 353936529 /nfs/dbraw/zinc/93/65/29/353936529.db2.gz YKWXGAWSBVTCHB-RDDDGLTNSA-N -1 3 233.275 0.706 20 0 BCADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CC(CO)C1 ZINC000613452775 363278904 /nfs/dbraw/zinc/27/89/04/363278904.db2.gz YYKJLHCIKWKDNF-UHFFFAOYSA-N -1 3 247.254 0.333 20 0 BCADHM O=C(Cc1cncnc1)Nc1ncccc1[O-] ZINC000343856768 354023272 /nfs/dbraw/zinc/02/32/72/354023272.db2.gz UOAABHKMJIVLJR-UHFFFAOYSA-N -1 3 230.227 0.758 20 0 BCADHM C[C@H]1CC[C@@H](CNC(=O)c2c[n-]nn2)C1 ZINC000230505692 363312007 /nfs/dbraw/zinc/31/20/07/363312007.db2.gz MALFCIFIIIPCOC-JGVFFNPUSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@H]1CC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC000230505692 363312013 /nfs/dbraw/zinc/31/20/13/363312013.db2.gz MALFCIFIIIPCOC-JGVFFNPUSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@H]1CC[C@@H](CNC(=O)c2cn[n-]n2)C1 ZINC000230505692 363312018 /nfs/dbraw/zinc/31/20/18/363312018.db2.gz MALFCIFIIIPCOC-JGVFFNPUSA-N -1 3 208.265 0.971 20 0 BCADHM CO[C@H](C)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344127877 354146747 /nfs/dbraw/zinc/14/67/47/354146747.db2.gz WZMKGFUFKIYIBD-RKDXNWHRSA-N -1 3 240.307 0.725 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)O)o1 ZINC000334674327 354416924 /nfs/dbraw/zinc/41/69/24/354416924.db2.gz QAJCHWPMIBMCBT-ZCFIWIBFSA-N -1 3 219.262 0.247 20 0 BCADHM C[C@@H]1CCN(S(=O)(=O)[N-]CC(F)F)C1 ZINC000334733967 354534599 /nfs/dbraw/zinc/53/45/99/354534599.db2.gz NBRGZJDQQRWHOG-ZCFIWIBFSA-N -1 3 228.264 0.428 20 0 BCADHM Cc1nc(C)c(CC(=O)NC[C@@H]2C[C@H]2C)c(=O)[n-]1 ZINC000032746720 354543505 /nfs/dbraw/zinc/54/35/05/354543505.db2.gz GQSIIAALBDMCIK-XCBNKYQSSA-N -1 3 249.314 0.701 20 0 BCADHM CC[C@@H](C)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000334708055 354502584 /nfs/dbraw/zinc/50/25/84/354502584.db2.gz FRXZSCBSMHNWJF-RKDXNWHRSA-N -1 3 225.292 0.269 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1CCCOC1 ZINC000345377954 354645643 /nfs/dbraw/zinc/64/56/43/354645643.db2.gz JFJGGIGQDGRIAT-QMMMGPOBSA-N -1 3 222.244 0.574 20 0 BCADHM Cn1[n-]c(CN2CCC[C@@H]3CCC[C@H]32)nc1=O ZINC000335084121 354618155 /nfs/dbraw/zinc/61/81/55/354618155.db2.gz QGDKDDQBLPNJGM-VHSXEESVSA-N -1 3 236.319 0.873 20 0 BCADHM C[C@@H](O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000345746511 354750467 /nfs/dbraw/zinc/75/04/67/354750467.db2.gz VCZDRZFOBCQPGM-SSDOTTSWSA-N -1 3 247.258 0.110 20 0 BCADHM C[C@@H](O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000345746511 354750469 /nfs/dbraw/zinc/75/04/69/354750469.db2.gz VCZDRZFOBCQPGM-SSDOTTSWSA-N -1 3 247.258 0.110 20 0 BCADHM CC[C@H](NC(=O)c1c[n-]nn1)[C@H](O)C(C)C ZINC000412760400 191310756 /nfs/dbraw/zinc/31/07/56/191310756.db2.gz WSXQHFOTJYQJHH-IONNQARKSA-N -1 3 226.280 0.330 20 0 BCADHM CC[C@H](NC(=O)c1cnn[n-]1)[C@H](O)C(C)C ZINC000412760400 191310758 /nfs/dbraw/zinc/31/07/58/191310758.db2.gz WSXQHFOTJYQJHH-IONNQARKSA-N -1 3 226.280 0.330 20 0 BCADHM CC[C@H](NC(=O)c1cn[n-]n1)[C@H](O)C(C)C ZINC000412760400 191310759 /nfs/dbraw/zinc/31/07/59/191310759.db2.gz WSXQHFOTJYQJHH-IONNQARKSA-N -1 3 226.280 0.330 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CNC(=O)C2)n1 ZINC000345943962 354815879 /nfs/dbraw/zinc/81/58/79/354815879.db2.gz RSKXSINIPHKMPO-SSDOTTSWSA-N -1 3 235.243 0.170 20 0 BCADHM Cc1ccc(NC(=O)Cn2cnnn2)c([O-])c1 ZINC000040419024 358489962 /nfs/dbraw/zinc/48/99/62/358489962.db2.gz DBBIXHSTPVHVDD-UHFFFAOYSA-N -1 3 233.231 0.326 20 0 BCADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000233960685 363410589 /nfs/dbraw/zinc/41/05/89/363410589.db2.gz UTHIYMYEEHUUCI-RNFRBKRXSA-N -1 3 215.278 0.487 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)Nc1nnn[n-]1 ZINC000346349706 354887849 /nfs/dbraw/zinc/88/78/49/354887849.db2.gz MHPYIZUTIRNQIT-SSDOTTSWSA-N -1 3 224.268 0.013 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)Nc1nn[n-]n1 ZINC000346349706 354887851 /nfs/dbraw/zinc/88/78/51/354887851.db2.gz MHPYIZUTIRNQIT-SSDOTTSWSA-N -1 3 224.268 0.013 20 0 BCADHM C[C@@H]1C[C@H](C)CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335221485 355061737 /nfs/dbraw/zinc/06/17/37/355061737.db2.gz VKZSTEKKKCSUSR-NXEZZACHSA-N -1 3 238.335 0.976 20 0 BCADHM CC1=C[C@@H](C)CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335794558 355449492 /nfs/dbraw/zinc/44/94/92/355449492.db2.gz KJVZMORAVAWRJZ-MRVPVSSYSA-N -1 3 222.292 0.506 20 0 BCADHM C[C@@H]1OCC[C@@]1(C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626430827 355722715 /nfs/dbraw/zinc/72/27/15/355722715.db2.gz RGCRFMAGHIFRQY-WRWORJQWSA-N -1 3 237.259 0.480 20 0 BCADHM C[C@H]1OCC[C@@]1(C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626430826 355722946 /nfs/dbraw/zinc/72/29/46/355722946.db2.gz RGCRFMAGHIFRQY-RDDDGLTNSA-N -1 3 237.259 0.480 20 0 BCADHM NC(=O)CCCCC(=O)Nc1ccncc1[O-] ZINC000352053512 134050733 /nfs/dbraw/zinc/05/07/33/134050733.db2.gz UJEGMKJGNFDYFF-UHFFFAOYSA-N -1 3 237.259 0.193 20 0 BCADHM COc1nc(C(=O)[N-]c2nnc(C)n2C)co1 ZINC000626433381 355768983 /nfs/dbraw/zinc/76/89/83/355768983.db2.gz MIHNIZNYCMGXKW-UHFFFAOYSA-N -1 3 237.219 0.372 20 0 BCADHM O=C(NCc1nc2cccnc2[nH]1)c1c[n-]nn1 ZINC000352088578 134061777 /nfs/dbraw/zinc/06/17/77/134061777.db2.gz ZMLQGSLOJOVGBC-UHFFFAOYSA-N -1 3 243.230 0.006 20 0 BCADHM O=C(NCc1nc2cccnc2[nH]1)c1cnn[n-]1 ZINC000352088578 134061778 /nfs/dbraw/zinc/06/17/78/134061778.db2.gz ZMLQGSLOJOVGBC-UHFFFAOYSA-N -1 3 243.230 0.006 20 0 BCADHM O=C(NCc1nc2cccnc2[nH]1)c1cn[n-]n1 ZINC000352088578 134061779 /nfs/dbraw/zinc/06/17/79/134061779.db2.gz ZMLQGSLOJOVGBC-UHFFFAOYSA-N -1 3 243.230 0.006 20 0 BCADHM Cc1ccc([O-])c(CNC2(C)COC2)n1 ZINC000639382607 355930112 /nfs/dbraw/zinc/93/01/12/355930112.db2.gz UJOADBNKDHMIBF-UHFFFAOYSA-N -1 3 208.261 0.974 20 0 BCADHM CCOC(C)(C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000167080303 355955922 /nfs/dbraw/zinc/95/59/22/355955922.db2.gz JJUXXZHDEDPOCE-UHFFFAOYSA-N -1 3 247.320 0.503 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccoc1 ZINC000351686380 356042789 /nfs/dbraw/zinc/04/27/89/356042789.db2.gz RGIIIVOVSDAZBI-ZCFIWIBFSA-N -1 3 233.245 0.119 20 0 BCADHM NC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117112547 181240482 /nfs/dbraw/zinc/24/04/82/181240482.db2.gz VNCQLQJVLOYFIC-UHFFFAOYSA-N -1 3 235.272 0.444 20 0 BCADHM CN(CC1(O)CCC1)C(=O)c1csc(=O)[n-]1 ZINC000329921780 356144805 /nfs/dbraw/zinc/14/48/05/356144805.db2.gz FXUBQJYIHFCICU-UHFFFAOYSA-N -1 3 242.300 0.836 20 0 BCADHM NC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000265183268 181251618 /nfs/dbraw/zinc/25/16/18/181251618.db2.gz RZRXJUOJEBGBBM-QMMMGPOBSA-N -1 3 249.270 0.275 20 0 BCADHM Cn1ccc(C[N-]S(=O)(=O)c2ccoc2)n1 ZINC000336117268 134089213 /nfs/dbraw/zinc/08/92/13/134089213.db2.gz GLUCPAJDNCLUIR-UHFFFAOYSA-N -1 3 241.272 0.492 20 0 BCADHM Cc1ccc([O-])c(C[NH2+][C@H]2CCOC2)n1 ZINC000087783865 491092166 /nfs/dbraw/zinc/09/21/66/491092166.db2.gz PSDYKAYXYNNSNE-VIFPVBQESA-N -1 3 208.261 0.974 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2CCOC2)n1 ZINC000087783865 491092168 /nfs/dbraw/zinc/09/21/68/491092168.db2.gz PSDYKAYXYNNSNE-VIFPVBQESA-N -1 3 208.261 0.974 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000297798213 181286556 /nfs/dbraw/zinc/28/65/56/181286556.db2.gz OPGSFOYQAUUSKJ-ZMONIFLSSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000297798213 181286557 /nfs/dbraw/zinc/28/65/57/181286557.db2.gz OPGSFOYQAUUSKJ-ZMONIFLSSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000297798213 181286559 /nfs/dbraw/zinc/28/65/59/181286559.db2.gz OPGSFOYQAUUSKJ-ZMONIFLSSA-N -1 3 249.274 0.278 20 0 BCADHM Cc1ccc([O-])c(NC(=O)Cc2cc[nH]n2)n1 ZINC000345936784 538464775 /nfs/dbraw/zinc/46/47/75/538464775.db2.gz KBLFRFONYOZPBD-UHFFFAOYSA-N -1 3 232.243 1.000 20 0 BCADHM O=C(NCCCn1ccnc1)c1cc(=O)[n-]cn1 ZINC000623365836 356840859 /nfs/dbraw/zinc/84/08/59/356840859.db2.gz DPKJECVRYJAIGB-UHFFFAOYSA-N -1 3 247.258 0.199 20 0 BCADHM COc1nc(NC(=O)CC2(O)CCC2)n[n-]1 ZINC000450548256 202194268 /nfs/dbraw/zinc/19/42/68/202194268.db2.gz QYNOUUOPWQLOAW-UHFFFAOYSA-N -1 3 226.236 0.057 20 0 BCADHM COc1nnc(NC(=O)CC2(O)CCC2)[n-]1 ZINC000450548256 202194272 /nfs/dbraw/zinc/19/42/72/202194272.db2.gz QYNOUUOPWQLOAW-UHFFFAOYSA-N -1 3 226.236 0.057 20 0 BCADHM COc1n[n-]c(NC(=O)CC2(O)CCC2)n1 ZINC000450548256 202194276 /nfs/dbraw/zinc/19/42/76/202194276.db2.gz QYNOUUOPWQLOAW-UHFFFAOYSA-N -1 3 226.236 0.057 20 0 BCADHM CCC[C@H](CN=c1ncnc2[nH][n-]cc1-2)OC ZINC000450588174 202205213 /nfs/dbraw/zinc/20/52/13/202205213.db2.gz UYRWQYMTPWMIFM-MRVPVSSYSA-N -1 3 235.291 0.953 20 0 BCADHM CC(C)OCCNC(=O)c1cc(=O)[n-]cn1 ZINC000626447069 356958906 /nfs/dbraw/zinc/95/89/06/356958906.db2.gz UYDYRUBOUCNRGA-UHFFFAOYSA-N -1 3 225.248 0.337 20 0 BCADHM CC(C)(O)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000626509035 357152746 /nfs/dbraw/zinc/15/27/46/357152746.db2.gz RUOGZRAGVYDJLB-UHFFFAOYSA-N -1 3 225.248 0.073 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)CCC1=O ZINC000626510442 357154740 /nfs/dbraw/zinc/15/47/40/357154740.db2.gz BSAFUQLKISWUDD-SSDOTTSWSA-N -1 3 235.243 0.233 20 0 BCADHM O=C([O-])c1cnccc1N[C@H]1C[C@@H](O)C1 ZINC000583696348 357230871 /nfs/dbraw/zinc/23/08/71/357230871.db2.gz PSJSFILKKHAHOG-KNVOCYPGSA-N -1 3 208.217 0.137 20 0 BCADHM CN(C)S(=O)(=O)[N-]CC(C)(F)F ZINC000393447817 357309046 /nfs/dbraw/zinc/30/90/46/357309046.db2.gz CBRBGAUVJHADIN-UHFFFAOYSA-N -1 3 202.226 0.038 20 0 BCADHM CC1(C)CN(CC(=O)NCc2ncccc2[O-])C1 ZINC000582675191 357361333 /nfs/dbraw/zinc/36/13/33/357361333.db2.gz ANADZWLKNAKSFJ-UHFFFAOYSA-N -1 3 249.314 0.745 20 0 BCADHM CC(C)(CO)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000395119530 357413812 /nfs/dbraw/zinc/41/38/12/357413812.db2.gz SUEWUUIJAPPHAN-UHFFFAOYSA-N -1 3 247.320 0.097 20 0 BCADHM CCOCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000063760360 357717747 /nfs/dbraw/zinc/71/77/47/357717747.db2.gz UMZXRVTXYPOEHE-UHFFFAOYSA-N -1 3 247.258 0.264 20 0 BCADHM COc1nnc(NC(=O)c2ccnc(C)c2)[n-]1 ZINC000235032378 357846106 /nfs/dbraw/zinc/84/61/06/357846106.db2.gz IRDRRIIMMTZATG-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nc(NC(=O)c2ccnc(C)c2)n[n-]1 ZINC000235032378 357846110 /nfs/dbraw/zinc/84/61/10/357846110.db2.gz IRDRRIIMMTZATG-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccnc(C)c2)n1 ZINC000235032378 357846113 /nfs/dbraw/zinc/84/61/13/357846113.db2.gz IRDRRIIMMTZATG-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)[C@@H](N)C1CCC1)C(=O)[O-] ZINC000398999995 357892430 /nfs/dbraw/zinc/89/24/30/357892430.db2.gz BPDIVPISTOIKBS-HGNGGELXSA-N -1 3 242.319 0.729 20 0 BCADHM CC1(C)C[C@H](NC(=O)c2c[n-]nn2)CCO1 ZINC000169019078 358009197 /nfs/dbraw/zinc/00/91/97/358009197.db2.gz GHLIXXZOXQASRF-SSDOTTSWSA-N -1 3 224.264 0.492 20 0 BCADHM CC1(C)C[C@H](NC(=O)c2cnn[n-]2)CCO1 ZINC000169019078 358009201 /nfs/dbraw/zinc/00/92/01/358009201.db2.gz GHLIXXZOXQASRF-SSDOTTSWSA-N -1 3 224.264 0.492 20 0 BCADHM CC1(C)C[C@H](NC(=O)c2cn[n-]n2)CCO1 ZINC000169019078 358009203 /nfs/dbraw/zinc/00/92/03/358009203.db2.gz GHLIXXZOXQASRF-SSDOTTSWSA-N -1 3 224.264 0.492 20 0 BCADHM NC(=O)c1ccc(C(=O)Nc2ncccc2[O-])o1 ZINC000341887372 181294748 /nfs/dbraw/zinc/29/47/48/181294748.db2.gz KVPKJHIGRWKEFR-UHFFFAOYSA-N -1 3 247.210 0.731 20 0 BCADHM C[C@@H](CCCO)CN=c1ncnc2[nH][n-]cc1-2 ZINC000450628271 202218370 /nfs/dbraw/zinc/21/83/70/202218370.db2.gz KSCSDRYZHHMOCJ-QMMMGPOBSA-N -1 3 235.291 0.547 20 0 BCADHM CCCC[C@H](NC(=O)CNC1CC1)C(=O)[O-] ZINC000040482458 358237153 /nfs/dbraw/zinc/23/71/53/358237153.db2.gz QUJWXLACXQQHJG-VIFPVBQESA-N -1 3 228.292 0.498 20 0 BCADHM CC[C@](C)(CN=c1ncnc2[nH][n-]cc1-2)OC ZINC000450718276 202245171 /nfs/dbraw/zinc/24/51/71/202245171.db2.gz SJBSZWCMRKOJFX-LLVKDONJSA-N -1 3 235.291 0.953 20 0 BCADHM C[C@H](C(=O)[O-])N(C)C[C@@H](O)C(F)(F)F ZINC000225443744 358300215 /nfs/dbraw/zinc/30/02/15/358300215.db2.gz RTZOSKQMUWDTLQ-RFZPGFLSSA-N -1 3 215.171 0.315 20 0 BCADHM C[C@@H](C(=O)[O-])C(=O)NCCN1CCC(C)CC1 ZINC000229345605 358402807 /nfs/dbraw/zinc/40/28/07/358402807.db2.gz DBKDLYJFCNZXMF-SNVBAGLBSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@H](C(=O)[O-])C(=O)NCCN1CCC(C)CC1 ZINC000229345612 358403032 /nfs/dbraw/zinc/40/30/32/358403032.db2.gz DBKDLYJFCNZXMF-JTQLQIEISA-N -1 3 242.319 0.555 20 0 BCADHM CCCC(=O)NCC(=O)Nc1ncccc1[O-] ZINC000048608823 358644827 /nfs/dbraw/zinc/64/48/27/358644827.db2.gz JSXUONPIKGYQEM-UHFFFAOYSA-N -1 3 237.259 0.642 20 0 BCADHM COCc1nc(C(=O)[N-]c2nc[nH]n2)cs1 ZINC000049175427 358674396 /nfs/dbraw/zinc/67/43/96/358674396.db2.gz AVNGSMZNUOYHSX-UHFFFAOYSA-N -1 3 239.260 0.660 20 0 BCADHM CC[C@@H](C(=O)[O-])N1CCOC2(CCOCC2)C1 ZINC000262362647 535437927 /nfs/dbraw/zinc/43/79/27/535437927.db2.gz IUYBKLZRRXZWSE-JTQLQIEISA-N -1 3 243.303 0.731 20 0 BCADHM O=S(=O)(Cc1ccccc1F)c1nnc[n-]1 ZINC000177504124 134298762 /nfs/dbraw/zinc/29/87/62/134298762.db2.gz NIMLMDJEOOPWPR-UHFFFAOYSA-N -1 3 241.247 0.918 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCN2CCC1CC2 ZINC000626624909 358990726 /nfs/dbraw/zinc/99/07/26/358990726.db2.gz GFKSFZHPVTYVDP-UHFFFAOYSA-N -1 3 248.286 0.102 20 0 BCADHM CC[C@]1(NC(=O)c2cc(=O)[n-]cn2)CCOC1 ZINC000626640527 358999314 /nfs/dbraw/zinc/99/93/14/358999314.db2.gz WUXSBIFBYLWQNF-NSHDSACASA-N -1 3 237.259 0.481 20 0 BCADHM CC[C@@]1(NC(=O)c2cc(=O)[n-]cn2)CCOC1 ZINC000626640526 358999417 /nfs/dbraw/zinc/99/94/17/358999417.db2.gz WUXSBIFBYLWQNF-LLVKDONJSA-N -1 3 237.259 0.481 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CCNC(=O)C1 ZINC000623434795 359213572 /nfs/dbraw/zinc/21/35/72/359213572.db2.gz KTXQWXHGNCGXSA-UHFFFAOYSA-N -1 3 234.255 0.273 20 0 BCADHM CC[C@@H](CO)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000613776858 363649959 /nfs/dbraw/zinc/64/99/59/363649959.db2.gz MEUQCOKOUZRMRP-QMMMGPOBSA-N -1 3 249.270 0.769 20 0 BCADHM C[C@H](NC(=O)Cc1cncc([O-])c1)C(C)(C)O ZINC000611749248 359441614 /nfs/dbraw/zinc/44/16/14/359441614.db2.gz CAPZTXHYQYDEJA-QMMMGPOBSA-N -1 3 238.287 0.605 20 0 BCADHM O=C(Cc1cncc([O-])c1)Nc1nncs1 ZINC000572431341 359497412 /nfs/dbraw/zinc/49/74/12/359497412.db2.gz LWPQBCYDBULVEP-UHFFFAOYSA-N -1 3 236.256 0.820 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC(CC(N)=O)C1 ZINC000626786277 359681165 /nfs/dbraw/zinc/68/11/65/359681165.db2.gz BFBBLHISFLDMJN-UHFFFAOYSA-N -1 3 248.282 0.648 20 0 BCADHM OCC1(CCN=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000450826945 202277770 /nfs/dbraw/zinc/27/77/70/202277770.db2.gz ZDYFTCQGCGKGPZ-UHFFFAOYSA-N -1 3 233.275 0.301 20 0 BCADHM O=C(N[C@H]1CC[C@H](CO)CC1)c1c[n-]nn1 ZINC000132979344 491144407 /nfs/dbraw/zinc/14/44/07/491144407.db2.gz MGWFPAUQXXHIBQ-OCAPTIKFSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CC[C@H](CO)CC1)c1cnn[n-]1 ZINC000132979344 491144408 /nfs/dbraw/zinc/14/44/08/491144408.db2.gz MGWFPAUQXXHIBQ-OCAPTIKFSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CC[C@H](CO)CC1)c1cn[n-]n1 ZINC000132979344 491144409 /nfs/dbraw/zinc/14/44/09/491144409.db2.gz MGWFPAUQXXHIBQ-OCAPTIKFSA-N -1 3 224.264 0.086 20 0 BCADHM CCOC(=O)c1cc(NC(=O)C2CC2)n[n-]1 ZINC000180931689 366559360 /nfs/dbraw/zinc/55/93/60/366559360.db2.gz GAOPEUQNBBYTRA-UHFFFAOYSA-N -1 3 223.232 0.935 20 0 BCADHM CCOC(=O)c1cc(NC(=O)C2CC2)[n-]n1 ZINC000180931689 366559365 /nfs/dbraw/zinc/55/93/65/366559365.db2.gz GAOPEUQNBBYTRA-UHFFFAOYSA-N -1 3 223.232 0.935 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cc2c(cn1)CCC2 ZINC000451046505 202337016 /nfs/dbraw/zinc/33/70/16/202337016.db2.gz GLERJDITSDJTGX-UHFFFAOYSA-N -1 3 241.316 0.789 20 0 BCADHM CC(C)n1ccc(CNC(=O)c2c[n-]nn2)n1 ZINC000578470563 366575989 /nfs/dbraw/zinc/57/59/89/366575989.db2.gz KQOBFSHVGYZQDI-UHFFFAOYSA-N -1 3 234.263 0.512 20 0 BCADHM CC(C)n1ccc(CNC(=O)c2cnn[n-]2)n1 ZINC000578470563 366575993 /nfs/dbraw/zinc/57/59/93/366575993.db2.gz KQOBFSHVGYZQDI-UHFFFAOYSA-N -1 3 234.263 0.512 20 0 BCADHM CC(C)n1ccc(CNC(=O)c2cn[n-]n2)n1 ZINC000578470563 366575999 /nfs/dbraw/zinc/57/59/99/366575999.db2.gz KQOBFSHVGYZQDI-UHFFFAOYSA-N -1 3 234.263 0.512 20 0 BCADHM C[C@H]([N-]S(=O)(=O)C1COC1)c1cscn1 ZINC000578550200 366597631 /nfs/dbraw/zinc/59/76/31/366597631.db2.gz ALYKOZAPUBVLCP-LURJTMIESA-N -1 3 248.329 0.522 20 0 BCADHM Cc1cc(C(=O)N[C@H]2C[C@@H](O)C2)ccc1[O-] ZINC000612634363 359952276 /nfs/dbraw/zinc/95/22/76/359952276.db2.gz BYNPCDNRJKRVJJ-AOOOYVTPSA-N -1 3 221.256 0.954 20 0 BCADHM CCC[C@H]([N-]S(=O)(=O)CCC)C(=O)OC ZINC000091052732 360100541 /nfs/dbraw/zinc/10/05/41/360100541.db2.gz OQOZCAFTAXDMGP-QMMMGPOBSA-N -1 3 237.321 0.658 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC[C@](C)(O)CO)c1 ZINC000090284708 360068203 /nfs/dbraw/zinc/06/82/03/360068203.db2.gz HCKJFCYZWATEOI-LBPRGKRZSA-N -1 3 239.271 0.174 20 0 BCADHM CN(Cc1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC000092617136 360185327 /nfs/dbraw/zinc/18/53/27/360185327.db2.gz GFQGICHAZWNRJB-UHFFFAOYSA-N -1 3 210.281 0.863 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)CC2CCC2)CC1 ZINC000093021698 360211204 /nfs/dbraw/zinc/21/12/04/360211204.db2.gz ROBOSKGMFGELSR-UHFFFAOYSA-N -1 3 247.316 0.412 20 0 BCADHM CC(C)(CO)NC(=O)Cc1cncc([O-])c1 ZINC000613021340 360289114 /nfs/dbraw/zinc/28/91/14/360289114.db2.gz OCBUHJKIDWNJIF-UHFFFAOYSA-N -1 3 224.260 0.217 20 0 BCADHM COCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095190628 360334680 /nfs/dbraw/zinc/33/46/80/360334680.db2.gz QGTBRTUGBGQFRB-UHFFFAOYSA-N -1 3 233.231 0.452 20 0 BCADHM COCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095190628 360334686 /nfs/dbraw/zinc/33/46/86/360334686.db2.gz QGTBRTUGBGQFRB-UHFFFAOYSA-N -1 3 233.231 0.452 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2CC(=O)N2)n1 ZINC000614164280 363727853 /nfs/dbraw/zinc/72/78/53/363727853.db2.gz LXNVSNNOEBBTBT-ZETCQYMHSA-N -1 3 235.243 0.313 20 0 BCADHM CC(C)(CCO)NC(=O)Cc1cncc([O-])c1 ZINC000613109645 360364794 /nfs/dbraw/zinc/36/47/94/360364794.db2.gz DBUJPKQPJFMQIY-UHFFFAOYSA-N -1 3 238.287 0.607 20 0 BCADHM NC(=O)[C@H]1C[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000628783493 360648985 /nfs/dbraw/zinc/64/89/85/360648985.db2.gz SUZDFSAYUGMWKR-KYZUINATSA-N -1 3 234.255 0.386 20 0 BCADHM Cc1cccc(C(=O)N[C@@H]2COCCC2=O)c1[O-] ZINC000628868664 360713187 /nfs/dbraw/zinc/71/31/87/360713187.db2.gz ACFBXEXZSWYRHM-SNVBAGLBSA-N -1 3 249.266 0.788 20 0 BCADHM C[C@@H]1C[C@H]1CN1CCOC[C@@H]1CC(=O)[O-] ZINC000629360370 361008502 /nfs/dbraw/zinc/00/85/02/361008502.db2.gz PAABSWCYQNEGLZ-UTLUCORTSA-N -1 3 213.277 0.818 20 0 BCADHM C[C@H](O)CCN1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629361169 361009988 /nfs/dbraw/zinc/00/99/88/361009988.db2.gz DBNJXMBJOCZECK-JTQLQIEISA-N -1 3 244.335 0.238 20 0 BCADHM COCCCN1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629362022 361012063 /nfs/dbraw/zinc/01/20/63/361012063.db2.gz QBWKRLCZWFJAGN-UHFFFAOYSA-N -1 3 244.335 0.504 20 0 BCADHM C[C@@H]1C[C@H]1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000629370575 361018305 /nfs/dbraw/zinc/01/83/05/361018305.db2.gz MKHSZEVRNGMTKT-IMSYWVGJSA-N -1 3 213.277 0.816 20 0 BCADHM CC1(NC(=O)c2cccc3nn[n-]c32)COC1 ZINC000634190347 361026404 /nfs/dbraw/zinc/02/64/04/361026404.db2.gz KOVIONMTMIFJLH-UHFFFAOYSA-N -1 3 232.243 0.477 20 0 BCADHM CC1(NC(=O)c2cccc3[n-]nnc32)COC1 ZINC000634190347 361026407 /nfs/dbraw/zinc/02/64/07/361026407.db2.gz KOVIONMTMIFJLH-UHFFFAOYSA-N -1 3 232.243 0.477 20 0 BCADHM CC1(NC(=O)c2cccc3n[n-]nc32)COC1 ZINC000634190347 361026409 /nfs/dbraw/zinc/02/64/09/361026409.db2.gz KOVIONMTMIFJLH-UHFFFAOYSA-N -1 3 232.243 0.477 20 0 BCADHM CC1(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)COC1 ZINC000634191691 361044179 /nfs/dbraw/zinc/04/41/79/361044179.db2.gz OFCKHCQSWXHRPA-UHFFFAOYSA-N -1 3 247.254 0.787 20 0 BCADHM C[C@@H](CN(C)CC(=O)NCC(C)(C)C)C(=O)[O-] ZINC000629488370 361092384 /nfs/dbraw/zinc/09/23/84/361092384.db2.gz KMKDQUZBCLPVFD-VIFPVBQESA-N -1 3 244.335 0.801 20 0 BCADHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000578985313 366685824 /nfs/dbraw/zinc/68/58/24/366685824.db2.gz WDDLLUJHXKOUPQ-QMMMGPOBSA-N -1 3 247.320 0.123 20 0 BCADHM O=C(Nc1cccc2n[n-]nc21)[C@@H]1CCOC1 ZINC000640380443 361190333 /nfs/dbraw/zinc/19/03/33/361190333.db2.gz RWZIWUQYAPPIOE-SSDOTTSWSA-N -1 3 232.243 0.933 20 0 BCADHM COCC1CN(C(=O)c2c([O-])cccc2O)C1 ZINC000640559928 361309321 /nfs/dbraw/zinc/30/93/21/361309321.db2.gz ZAWKKXCFMQMXHG-UHFFFAOYSA-N -1 3 237.255 0.816 20 0 BCADHM CN(C(=O)Cc1cncc([O-])c1)C1CC(O)C1 ZINC000579024073 366698413 /nfs/dbraw/zinc/69/84/13/366698413.db2.gz IIRNMHLYLBLFSP-UHFFFAOYSA-N -1 3 236.271 0.311 20 0 BCADHM COc1nn(C)cc1[N-]c1nnc(C)c(C)n1 ZINC000428256707 201004488 /nfs/dbraw/zinc/00/44/88/201004488.db2.gz MHKBODUBLBKNCH-UHFFFAOYSA-N -1 3 234.263 0.974 20 0 BCADHM C[C@]1([N-]S(=O)(=O)c2cscn2)CCOC1 ZINC000579232393 366740531 /nfs/dbraw/zinc/74/05/31/366740531.db2.gz WAQGJBHOOPEBKZ-QMMMGPOBSA-N -1 3 248.329 0.600 20 0 BCADHM CN(C)CCn1[n-]c(-c2cccnc2)cc1=O ZINC000614186918 363749068 /nfs/dbraw/zinc/74/90/68/363749068.db2.gz OMGNMUNZYUBQHD-UHFFFAOYSA-N -1 3 232.287 0.580 20 0 BCADHM OC[C@H](CC(F)F)N=c1ncnc2[nH][n-]cc1-2 ZINC000428680888 201035528 /nfs/dbraw/zinc/03/55/28/201035528.db2.gz MCRINACOXKOBTE-YFKPBYRVSA-N -1 3 243.217 0.154 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCO[C@H]2C[C@H]21 ZINC000622063984 370687826 /nfs/dbraw/zinc/68/78/26/370687826.db2.gz UQWLDUVUGXZHDE-BDAKNGLRSA-N -1 3 238.218 0.540 20 0 BCADHM COC[C@H](OC)C(=O)NCc1ncccc1[O-] ZINC000614255802 363772471 /nfs/dbraw/zinc/77/24/71/363772471.db2.gz WKTNOJFIPAXTKN-JTQLQIEISA-N -1 3 240.259 0.065 20 0 BCADHM Cc1nscc1C(=O)[N-]c1nc[nH]n1 ZINC000181115650 366786686 /nfs/dbraw/zinc/78/66/86/366786686.db2.gz XHRXWSAURPJRSL-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM CCCCN(C)C(=O)C(=O)[N-]c1cnns1 ZINC000429729219 201129797 /nfs/dbraw/zinc/12/97/97/201129797.db2.gz WYRNYONJLLXHGP-UHFFFAOYSA-N -1 3 242.304 0.735 20 0 BCADHM CNCC[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000579472205 366819874 /nfs/dbraw/zinc/81/98/74/366819874.db2.gz GZXFXDXUIRLBGF-RXMQYKEDSA-N -1 3 234.243 0.076 20 0 BCADHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1ccccn1 ZINC000632630176 361425785 /nfs/dbraw/zinc/42/57/85/361425785.db2.gz HEPWGSCYUFQFKY-SFYZADRCSA-N -1 3 212.274 0.768 20 0 BCADHM CC(C)[C@@H](C(=O)[O-])C(=O)NCCN(C)C1CC1 ZINC000579479388 366825675 /nfs/dbraw/zinc/82/56/75/366825675.db2.gz OCAMNGKJIXVBKP-SNVBAGLBSA-N -1 3 242.319 0.554 20 0 BCADHM Cn1ncnc1C[S@@](=O)c1ccc([O-])cc1 ZINC000434230374 201211288 /nfs/dbraw/zinc/21/12/88/201211288.db2.gz YSLJZORFTPTMGN-MRXNPFEDSA-N -1 3 237.284 0.829 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CCF)c1 ZINC000435631411 201280171 /nfs/dbraw/zinc/28/01/71/201280171.db2.gz CYFYPKUPDREVIU-UHFFFAOYSA-N -1 3 221.257 0.151 20 0 BCADHM CC(=O)c1ccc(C(=O)N[C@@H](C)CO)cc1[O-] ZINC000436558050 201331895 /nfs/dbraw/zinc/33/18/95/201331895.db2.gz SZHRYKKSFPFFSF-ZETCQYMHSA-N -1 3 237.255 0.705 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000629770226 361693473 /nfs/dbraw/zinc/69/34/73/361693473.db2.gz KMVQKNMSSZVIHR-JVUFJMBOSA-N -1 3 249.270 0.168 20 0 BCADHM NC(=O)CC1(NC(=O)c2ccccc2[O-])CCC1 ZINC000436584050 201331308 /nfs/dbraw/zinc/33/13/08/201331308.db2.gz IPEHCYHJPNGZJS-UHFFFAOYSA-N -1 3 248.282 0.920 20 0 BCADHM CC(=O)c1ccc(C(=O)N(C)CCO)cc1[O-] ZINC000436531906 201331410 /nfs/dbraw/zinc/33/14/10/201331410.db2.gz QJSWPKFIZWIPII-UHFFFAOYSA-N -1 3 237.255 0.659 20 0 BCADHM COc1cccc(C(=O)Nc2ncn(C)n2)c1[O-] ZINC000436703873 201333744 /nfs/dbraw/zinc/33/37/44/201333744.db2.gz IIUZAUIPLALUED-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM [O-]c1cccc(CN[C@H]2COC[C@H]2O)c1Cl ZINC000382002746 361721786 /nfs/dbraw/zinc/72/17/86/361721786.db2.gz KDNVTKRBGLYSBX-WCBMZHEXSA-N -1 3 243.690 0.895 20 0 BCADHM O=C(NCCN1CCC1)c1c([O-])cccc1F ZINC000436987307 201340458 /nfs/dbraw/zinc/34/04/58/201340458.db2.gz ISPCLYBJHQRXKS-UHFFFAOYSA-N -1 3 238.262 0.967 20 0 BCADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCCN1 ZINC000614734949 363943967 /nfs/dbraw/zinc/94/39/67/363943967.db2.gz MAJUVRRXWXOFLJ-UHFFFAOYSA-N -1 3 249.249 0.838 20 0 BCADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCCN1 ZINC000614734949 363943968 /nfs/dbraw/zinc/94/39/68/363943968.db2.gz MAJUVRRXWXOFLJ-UHFFFAOYSA-N -1 3 249.249 0.838 20 0 BCADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCCN1 ZINC000614734949 363943970 /nfs/dbraw/zinc/94/39/70/363943970.db2.gz MAJUVRRXWXOFLJ-UHFFFAOYSA-N -1 3 249.249 0.838 20 0 BCADHM CN(C(=O)Cc1cncc([O-])c1)C1(CO)CC1 ZINC000614771529 363965865 /nfs/dbraw/zinc/96/58/65/363965865.db2.gz NQWHXLWLACGTEY-UHFFFAOYSA-N -1 3 236.271 0.313 20 0 BCADHM O=C(CC1CC1)NCCCc1cc(=O)[nH][n-]1 ZINC000614921197 364094412 /nfs/dbraw/zinc/09/44/12/364094412.db2.gz AXXMBKVRAUVICO-UHFFFAOYSA-N -1 3 223.276 0.559 20 0 BCADHM CCC1(C(=O)NCCCc2cc(=O)[nH][n-]2)CC1 ZINC000614922980 364097508 /nfs/dbraw/zinc/09/75/08/364097508.db2.gz LJARAEDYQGZMNX-UHFFFAOYSA-N -1 3 237.303 0.949 20 0 BCADHM CC[C@H](NC(=O)c1cc(F)c[n-]c1=O)[C@@H](C)O ZINC000622090653 370703802 /nfs/dbraw/zinc/70/38/02/370703802.db2.gz RSWHCFFGTPEOSR-MUWHJKNJSA-N -1 3 242.250 0.816 20 0 BCADHM CO[C@@]1(C)C[C@H]1NC(=O)c1cc(F)c[n-]c1=O ZINC000622182103 370751524 /nfs/dbraw/zinc/75/15/24/370751524.db2.gz VFSBBEBCELJXTG-KCJUWKMLSA-N -1 3 240.234 0.834 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1CCSC1 ZINC000614990937 364277174 /nfs/dbraw/zinc/27/71/74/364277174.db2.gz KMSHMMSOXCUABW-YFKPBYRVSA-N -1 3 238.276 0.144 20 0 BCADHM CCN[C@H](C)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000630573013 364271026 /nfs/dbraw/zinc/27/10/26/364271026.db2.gz CAZGHXUGHPKUEX-SECBINFHSA-N -1 3 244.335 0.992 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1CC12CCCC2 ZINC000614990710 364280380 /nfs/dbraw/zinc/28/03/80/364280380.db2.gz GUSICIZHDNHRAY-SSDOTTSWSA-N -1 3 246.274 0.971 20 0 BCADHM CC(C)(C)OCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000614994237 364286113 /nfs/dbraw/zinc/28/61/13/364286113.db2.gz PCTGBTZSVHGVCY-UHFFFAOYSA-N -1 3 238.251 0.206 20 0 BCADHM C[C@@H](C(=O)[N-]c1nnc2[nH]cnn12)C(C)(F)F ZINC000614993586 364287299 /nfs/dbraw/zinc/28/72/99/364287299.db2.gz JMOVSDGEBMLCCX-BYPYZUCNSA-N -1 3 244.205 0.682 20 0 BCADHM CC(C)[C@H]1C[C@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614995024 364290809 /nfs/dbraw/zinc/29/08/09/364290809.db2.gz ZBIJJBUJGLTQMH-RNFRBKRXSA-N -1 3 234.263 0.683 20 0 BCADHM CC1(C)CC[C@@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614996282 364298501 /nfs/dbraw/zinc/29/85/01/364298501.db2.gz KGBQQJSESFTRCM-ZCFIWIBFSA-N -1 3 234.263 0.827 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000614996213 364307526 /nfs/dbraw/zinc/30/75/26/364307526.db2.gz JDWSBHNFZAQSAD-PRJMDXOYSA-N -1 3 246.274 0.827 20 0 BCADHM C[C@@H](O)CN(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000615116326 364502745 /nfs/dbraw/zinc/50/27/45/364502745.db2.gz RJPLUERNAWEZPY-SSDOTTSWSA-N -1 3 249.270 0.721 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1Cc2c[nH]nc2C1 ZINC000615134326 364513524 /nfs/dbraw/zinc/51/35/24/364513524.db2.gz WJVRRFWBDXUCKD-UHFFFAOYSA-N -1 3 244.254 0.595 20 0 BCADHM C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(C)(C)C ZINC000155847558 364741534 /nfs/dbraw/zinc/74/15/34/364741534.db2.gz FJWWECKSIUKTNG-RQJHMYQMSA-N -1 3 241.291 0.135 20 0 BCADHM Cc1ccc(C(=O)N[C@@H]2COC[C@H]2O)c([O-])c1 ZINC000296753463 364785317 /nfs/dbraw/zinc/78/53/17/364785317.db2.gz BHODRJHBNYKZHX-MWLCHTKSSA-N -1 3 237.255 0.190 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCCN1 ZINC000044625091 541386673 /nfs/dbraw/zinc/38/66/73/541386673.db2.gz JSVTTZDOCZSANL-IUCAKERBSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@H]1SCCN(CCOCC(=O)[O-])[C@H]1C ZINC000574763193 365138157 /nfs/dbraw/zinc/13/81/57/365138157.db2.gz MZUPPWBQKIVDFN-DTWKUNHWSA-N -1 3 233.333 0.913 20 0 BCADHM C[C@H](C(=O)Nc1nnn[n-]1)N1[C@H](C)CC[C@@H]1C ZINC000444024000 193033575 /nfs/dbraw/zinc/03/35/75/193033575.db2.gz VUCIHAQQACBNSW-GJMOJQLCSA-N -1 3 238.295 0.400 20 0 BCADHM C[C@H](C(=O)Nc1nn[n-]n1)N1[C@H](C)CC[C@@H]1C ZINC000444024000 193033577 /nfs/dbraw/zinc/03/35/77/193033577.db2.gz VUCIHAQQACBNSW-GJMOJQLCSA-N -1 3 238.295 0.400 20 0 BCADHM CNC(=O)C1(C(=O)Nc2ccccc2[O-])CC1 ZINC000068511426 370809794 /nfs/dbraw/zinc/80/97/94/370809794.db2.gz JIESPOGFVNWSQV-UHFFFAOYSA-N -1 3 234.255 0.857 20 0 BCADHM CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000444293921 193044879 /nfs/dbraw/zinc/04/48/79/193044879.db2.gz PJFXLUQRSOJOGK-QMMMGPOBSA-N -1 3 233.289 0.637 20 0 BCADHM COC(=O)[C@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000576044274 365461463 /nfs/dbraw/zinc/46/14/63/365461463.db2.gz NRCSJNMRCMEMJM-HOTUBEGUSA-N -1 3 241.287 0.735 20 0 BCADHM O=C1CC[C@@H]2CN(Cc3ncccc3[O-])CCN12 ZINC000576147586 365500280 /nfs/dbraw/zinc/50/02/80/365500280.db2.gz DMHJWKMXLPSRAB-SNVBAGLBSA-N -1 3 247.298 0.594 20 0 BCADHM CN1CCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000579732363 366998429 /nfs/dbraw/zinc/99/84/29/366998429.db2.gz VRLYVAIRDGIOON-UHFFFAOYSA-N -1 3 235.287 0.104 20 0 BCADHM CC[C@H](C)[C@H](NCC(=O)N(CC)CC)C(=O)[O-] ZINC000579839078 367041786 /nfs/dbraw/zinc/04/17/86/367041786.db2.gz KMLPHBXUGXKHHD-ONGXEEELSA-N -1 3 244.335 0.944 20 0 BCADHM COC(=O)[C@H]([N-]S(C)(=O)=O)c1ccsc1 ZINC000184252111 367070589 /nfs/dbraw/zinc/07/05/89/367070589.db2.gz SXMYJPZPMQZODE-SSDOTTSWSA-N -1 3 249.313 0.511 20 0 BCADHM CNC(=O)CC(=O)Nc1ccc(C)cc1[O-] ZINC000184898787 367106990 /nfs/dbraw/zinc/10/69/90/367106990.db2.gz LCADXVQDUBRADE-UHFFFAOYSA-N -1 3 222.244 0.775 20 0 BCADHM CC(C)C[C@@H](NC(=O)[C@H](C)NC1CC1)C(=O)[O-] ZINC000382936550 367570587 /nfs/dbraw/zinc/57/05/87/367570587.db2.gz HKMKEHTYJSNJJJ-WCBMZHEXSA-N -1 3 242.319 0.742 20 0 BCADHM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)NC1CC1 ZINC000382928091 367568744 /nfs/dbraw/zinc/56/87/44/367568744.db2.gz DZDAWDNAKLDKIW-RKDXNWHRSA-N -1 3 242.319 0.839 20 0 BCADHM COCC1(NC(=O)Cc2cncc([O-])c2)CC1 ZINC000581558011 367589279 /nfs/dbraw/zinc/58/92/79/367589279.db2.gz CKEKERMMGLNVQM-UHFFFAOYSA-N -1 3 236.271 0.625 20 0 BCADHM Cc1cccc(C(=O)N2CCOCCN2)c1[O-] ZINC000615488655 368085492 /nfs/dbraw/zinc/08/54/92/368085492.db2.gz NMORWBWSMQNFDU-UHFFFAOYSA-N -1 3 236.271 0.678 20 0 BCADHM CN(C)c1nc([O-])c(CC(=O)NC2CC2)s1 ZINC000028892966 368242517 /nfs/dbraw/zinc/24/25/17/368242517.db2.gz ZNVZDYJSJLJGJU-ZETCQYMHSA-N -1 3 241.316 0.215 20 0 BCADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCOC1 ZINC000615766238 368294177 /nfs/dbraw/zinc/29/41/77/368294177.db2.gz NOIKXJGSSKSEON-UHFFFAOYSA-N -1 3 236.206 0.527 20 0 BCADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCOC1 ZINC000615766238 368294178 /nfs/dbraw/zinc/29/41/78/368294178.db2.gz NOIKXJGSSKSEON-UHFFFAOYSA-N -1 3 236.206 0.527 20 0 BCADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCOC1 ZINC000615766238 368294179 /nfs/dbraw/zinc/29/41/79/368294179.db2.gz NOIKXJGSSKSEON-UHFFFAOYSA-N -1 3 236.206 0.527 20 0 BCADHM C[C@@H](O)[C@H]1CCCN1C(=O)c1csc(=O)[n-]1 ZINC000618925077 368869416 /nfs/dbraw/zinc/86/94/16/368869416.db2.gz KVQCCTDJTXXQCZ-HTRCEHHLSA-N -1 3 242.300 0.834 20 0 BCADHM Cc1cnc(C(=O)N(C)CC2CN(C)C2)c([O-])c1 ZINC000618191745 369083870 /nfs/dbraw/zinc/08/38/70/369083870.db2.gz QNGXBZLDRLOSCB-UHFFFAOYSA-N -1 3 249.314 0.729 20 0 BCADHM CCN(CCO)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459337860 203260407 /nfs/dbraw/zinc/26/04/07/203260407.db2.gz LMPDXBMRFJPLPY-UHFFFAOYSA-N -1 3 237.303 0.874 20 0 BCADHM CCC[C@H](OC)C(=O)[N-]c1nncn1C ZINC000622512272 370974551 /nfs/dbraw/zinc/97/45/51/370974551.db2.gz BQGJQYKXFUIEFH-ZETCQYMHSA-N -1 3 212.253 0.569 20 0 BCADHM Cc1onc(CO)c1C(=O)Nc1ncccc1[O-] ZINC000622505299 370968830 /nfs/dbraw/zinc/96/88/30/370968830.db2.gz YISJNPAGJUDDRO-UHFFFAOYSA-N -1 3 249.226 0.828 20 0 BCADHM NCC(F)(F)CNC(=O)c1ccccc1[O-] ZINC000164889896 203381959 /nfs/dbraw/zinc/38/19/59/203381959.db2.gz YWRDLLQKWIMQTC-UHFFFAOYSA-N -1 3 230.214 0.716 20 0 BCADHM C[C@H](O)C1(NC(=O)c2cccc3nn[n-]c32)CC1 ZINC000620063895 369697859 /nfs/dbraw/zinc/69/78/59/369697859.db2.gz UATFKDQVHQMEAA-ZETCQYMHSA-N -1 3 246.270 0.601 20 0 BCADHM C[C@H](O)C1(NC(=O)c2cccc3[n-]nnc32)CC1 ZINC000620063895 369697865 /nfs/dbraw/zinc/69/78/65/369697865.db2.gz UATFKDQVHQMEAA-ZETCQYMHSA-N -1 3 246.270 0.601 20 0 BCADHM C[C@H](O)C1(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC000620063895 369697869 /nfs/dbraw/zinc/69/78/69/369697869.db2.gz UATFKDQVHQMEAA-ZETCQYMHSA-N -1 3 246.270 0.601 20 0 BCADHM C[C@@H](O)[C@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000620986644 370067929 /nfs/dbraw/zinc/06/79/29/370067929.db2.gz QQIWUWNJGJUBTB-KCJUWKMLSA-N -1 3 246.270 0.657 20 0 BCADHM C[C@@H](O)[C@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000620986644 370067933 /nfs/dbraw/zinc/06/79/33/370067933.db2.gz QQIWUWNJGJUBTB-KCJUWKMLSA-N -1 3 246.270 0.657 20 0 BCADHM C[C@@H](O)[C@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000620986644 370067937 /nfs/dbraw/zinc/06/79/37/370067937.db2.gz QQIWUWNJGJUBTB-KCJUWKMLSA-N -1 3 246.270 0.657 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCCOCCF ZINC000621092723 370102451 /nfs/dbraw/zinc/10/24/51/370102451.db2.gz ATDPOIQQZMANQL-UHFFFAOYSA-N -1 3 242.250 0.432 20 0 BCADHM O=C(NCCCO)c1cc(F)c[n-]c1=O ZINC000621531138 370380248 /nfs/dbraw/zinc/38/02/48/370380248.db2.gz QAYUMGUMUTVRNO-UHFFFAOYSA-N -1 3 214.196 0.039 20 0 BCADHM CC(C)(C)n1nnc(C(=O)[N-]c2ncccn2)n1 ZINC000621393790 370333097 /nfs/dbraw/zinc/33/30/97/370333097.db2.gz CEQCFTFQNZDFDU-UHFFFAOYSA-N -1 3 247.262 0.470 20 0 BCADHM CC[C@H](O)CCNC(=O)c1cc(F)c[n-]c1=O ZINC000621917885 370599622 /nfs/dbraw/zinc/59/96/22/370599622.db2.gz MBPBGDSRVJWTAH-QMMMGPOBSA-N -1 3 242.250 0.817 20 0 BCADHM C[C@@H](CO)[C@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000621917927 370599637 /nfs/dbraw/zinc/59/96/37/370599637.db2.gz NKMSYVBHAMJZQM-BQBZGAKWSA-N -1 3 242.250 0.673 20 0 BCADHM O=C(N[C@H]1CCCOC1)c1cc(F)c[n-]c1=O ZINC000621858891 370567793 /nfs/dbraw/zinc/56/77/93/370567793.db2.gz JSJNTCCTPDBAGE-QMMMGPOBSA-N -1 3 240.234 0.835 20 0 BCADHM C[C@@H]1COCCN1C(=O)c1cc(F)c[n-]c1=O ZINC000621975742 370632569 /nfs/dbraw/zinc/63/25/69/370632569.db2.gz SEHOMUKKUUTMGE-SSDOTTSWSA-N -1 3 240.234 0.787 20 0 BCADHM C[C@@H](O)CCCNC(=O)c1cc(F)c[n-]c1=O ZINC000621979054 370637098 /nfs/dbraw/zinc/63/70/98/370637098.db2.gz MGHBWPDWAGBHKX-SSDOTTSWSA-N -1 3 242.250 0.817 20 0 BCADHM CCN(CCCO)Cc1ncccc1[O-] ZINC000568743680 326374583 /nfs/dbraw/zinc/37/45/83/326374583.db2.gz WKTONGQIUZYAPS-UHFFFAOYSA-N -1 3 210.277 0.992 20 0 BCADHM CCN(CC)CC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000569222032 326395743 /nfs/dbraw/zinc/39/57/43/326395743.db2.gz HXZZVJAGTUPVTL-SECBINFHSA-N -1 3 242.319 0.792 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)CO ZINC000623942807 371164616 /nfs/dbraw/zinc/16/46/16/371164616.db2.gz UBXUIJGILYWAMS-QMMMGPOBSA-N -1 3 209.245 0.811 20 0 BCADHM C[C@@H]1C[C@H]1CNC(=O)c1cc(=O)[n-]cn1 ZINC000624107988 371309375 /nfs/dbraw/zinc/30/93/75/371309375.db2.gz DOBZIBLBBCMWJW-RQJHMYQMSA-N -1 3 207.233 0.568 20 0 BCADHM CO[C@H](C)[C@@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000627401474 371603549 /nfs/dbraw/zinc/60/35/49/371603549.db2.gz YTSBSEFQAOGYNB-RNFRBKRXSA-N -1 3 225.248 0.335 20 0 BCADHM CCN(C(=O)c1cc(=O)[n-]cn1)[C@H]1CCOC1 ZINC000627439945 371621963 /nfs/dbraw/zinc/62/19/63/371621963.db2.gz YLYUVLGMNLSNSH-QMMMGPOBSA-N -1 3 237.259 0.433 20 0 BCADHM CCN(C[C@H](C)OC)C(=O)c1cc(=O)[n-]cn1 ZINC000627448116 371624902 /nfs/dbraw/zinc/62/49/02/371624902.db2.gz ZVMFBYAMOCQZOV-QMMMGPOBSA-N -1 3 239.275 0.679 20 0 BCADHM C[C@H](CCO)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000627564284 371711183 /nfs/dbraw/zinc/71/11/83/371711183.db2.gz MGVVMFWWGARGTR-QMMMGPOBSA-N -1 3 239.275 0.321 20 0 BCADHM CC(=O)[C@H]1CCCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000627571660 371722075 /nfs/dbraw/zinc/72/20/75/371722075.db2.gz BNQZKODTXFGFEF-SNVBAGLBSA-N -1 3 249.270 0.766 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)[C@H]1C ZINC000627537286 371689586 /nfs/dbraw/zinc/68/95/86/371689586.db2.gz BXSUQWDAMUNREZ-RQJHMYQMSA-N -1 3 207.233 0.663 20 0 BCADHM O=C(NCC1=CCOCC1)c1cc(=O)[n-]cn1 ZINC000627577556 371746701 /nfs/dbraw/zinc/74/67/01/371746701.db2.gz OYVPGFASGMETRG-UHFFFAOYSA-N -1 3 235.243 0.259 20 0 BCADHM C[C@H](CCCCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000627590186 371765239 /nfs/dbraw/zinc/76/52/39/371765239.db2.gz LVEHZSPFWCTUPZ-MRVPVSSYSA-N -1 3 239.275 0.463 20 0 BCADHM CC[C@H](NC(=O)c1cc(=O)[n-]cn1)[C@@H](C)O ZINC000627635911 371797594 /nfs/dbraw/zinc/79/75/94/371797594.db2.gz DJWSRTJILREZGK-RQJHMYQMSA-N -1 3 225.248 0.071 20 0 BCADHM CCC1(CNC(=O)c2cc(=O)[n-]cn2)COC1 ZINC000627661198 371818847 /nfs/dbraw/zinc/81/88/47/371818847.db2.gz OCJVNLCSYNRTAT-UHFFFAOYSA-N -1 3 237.259 0.339 20 0 BCADHM C[C@@H]1C[C@H](O)CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000627693851 371854999 /nfs/dbraw/zinc/85/49/99/371854999.db2.gz DXFHGJQBTFWEIG-SFYZADRCSA-N -1 3 237.259 0.025 20 0 BCADHM CCn1ccc(CNC(=O)c2cc(=O)[n-]cn2)n1 ZINC000627744936 371934855 /nfs/dbraw/zinc/93/48/55/371934855.db2.gz JLLOMZFAEXFCKW-UHFFFAOYSA-N -1 3 247.258 0.329 20 0 BCADHM O=C(NCC1CCC(O)CC1)c1c[n-]nn1 ZINC000227585654 371900245 /nfs/dbraw/zinc/90/02/45/371900245.db2.gz MLUQENZURNEKEJ-UHFFFAOYSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NCC1CCC(O)CC1)c1cnn[n-]1 ZINC000227585654 371900248 /nfs/dbraw/zinc/90/02/48/371900248.db2.gz MLUQENZURNEKEJ-UHFFFAOYSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NCC1CCC(O)CC1)c1cn[n-]n1 ZINC000227585654 371900251 /nfs/dbraw/zinc/90/02/51/371900251.db2.gz MLUQENZURNEKEJ-UHFFFAOYSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc(=O)[n-]cn1 ZINC000627839240 372059986 /nfs/dbraw/zinc/05/99/86/372059986.db2.gz IKPDDVPYKJTAMX-RNLVFQAGSA-N -1 3 219.244 0.711 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000627911668 372127084 /nfs/dbraw/zinc/12/70/84/372127084.db2.gz SCVAWMYQYKLNFJ-SCZZXKLOSA-N -1 3 249.270 0.433 20 0 BCADHM C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000631639004 372475244 /nfs/dbraw/zinc/47/52/44/372475244.db2.gz IMRVAXKJNSQFQG-UHFFFAOYSA-N -1 3 243.210 0.347 20 0 BCADHM Cc1cc(S(=O)(=O)[N-]CCN(C)C)sn1 ZINC000631639123 372475775 /nfs/dbraw/zinc/47/57/75/372475775.db2.gz KHFLCIVLNIFFQC-UHFFFAOYSA-N -1 3 249.361 0.291 20 0 BCADHM CCOCCC[N-]S(=O)(=O)c1conc1C ZINC000631643997 372478128 /nfs/dbraw/zinc/47/81/28/372478128.db2.gz KBYWQSRSBGILLR-UHFFFAOYSA-N -1 3 248.304 0.688 20 0 BCADHM CCC[C@H](C)[N-]S(=O)(=O)c1nncn1C ZINC000631645126 372478994 /nfs/dbraw/zinc/47/89/94/372478994.db2.gz XBTHGWHAESQDCK-ZETCQYMHSA-N -1 3 232.309 0.282 20 0 BCADHM CCC[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631645084 372479640 /nfs/dbraw/zinc/47/96/40/372479640.db2.gz WDYKSRIEGLKSJG-UHFFFAOYSA-N -1 3 222.291 0.537 20 0 BCADHM C[C@H](C[N-]S(=O)(=O)c1nncn1C)C1CC1 ZINC000631796382 372579154 /nfs/dbraw/zinc/57/91/54/372579154.db2.gz VQFMCEYWOVPUTE-SSDOTTSWSA-N -1 3 244.320 0.140 20 0 BCADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1nncn1C ZINC000631794773 372579195 /nfs/dbraw/zinc/57/91/95/372579195.db2.gz XBODOKWZPUNSLJ-SFYZADRCSA-N -1 3 246.336 0.528 20 0 BCADHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631746087 372546984 /nfs/dbraw/zinc/54/69/84/372546984.db2.gz BOJTXQGBYUMQDZ-RITPCOANSA-N -1 3 248.329 0.783 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1CCSC1 ZINC000632040636 372734505 /nfs/dbraw/zinc/73/45/05/372734505.db2.gz MWWVVZKCOIECTL-SSDOTTSWSA-N -1 3 248.329 0.767 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@]1(C)CCOC1 ZINC000632145907 372780494 /nfs/dbraw/zinc/78/04/94/372780494.db2.gz RTHLACULEJKYRE-VIFPVBQESA-N -1 3 246.288 0.440 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]Cc1ccno1 ZINC000632184415 372796369 /nfs/dbraw/zinc/79/63/69/372796369.db2.gz DVEZUYZCTIIDDV-UHFFFAOYSA-N -1 3 243.244 0.450 20 0 BCADHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1conc1C ZINC000632263466 372844260 /nfs/dbraw/zinc/84/42/60/372844260.db2.gz ZEFSZOUSKXLFEO-XPUUQOCRSA-N -1 3 248.304 0.685 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1C[C@H]1C ZINC000632316941 372878200 /nfs/dbraw/zinc/87/82/00/372878200.db2.gz NLDBPCCDCUFGOY-IYSWYEEDSA-N -1 3 216.262 0.670 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H](C)CN(C)C ZINC000632337686 372891555 /nfs/dbraw/zinc/89/15/55/372891555.db2.gz SWPNRVIDBWWKEP-ZETCQYMHSA-N -1 3 247.320 0.211 20 0 BCADHM CCOCCS(=O)(=O)[N-]C1(C(C)=O)CC1 ZINC000632448427 372951804 /nfs/dbraw/zinc/95/18/04/372951804.db2.gz MSKIOCAGEGTMBI-UHFFFAOYSA-N -1 3 235.305 0.064 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1conc1C)[C@@H](C)O ZINC000632414046 372926769 /nfs/dbraw/zinc/92/67/69/372926769.db2.gz QEONVIXVCQXJBC-SFYZADRCSA-N -1 3 248.304 0.421 20 0 BCADHM O=C(C[C@H]1CCOC1)Nc1ccncc1[O-] ZINC000330794025 182029488 /nfs/dbraw/zinc/02/94/88/182029488.db2.gz VVJPZWRJFWEGLB-MRVPVSSYSA-N -1 3 222.244 0.574 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2)s1 ZINC000632430254 372938039 /nfs/dbraw/zinc/93/80/39/372938039.db2.gz KELJUGRWFUTRSU-KNVOCYPGSA-N -1 3 248.329 0.253 20 0 BCADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CCC1)c1c[nH]cn1 ZINC000632493570 372971990 /nfs/dbraw/zinc/97/19/90/372971990.db2.gz XQDODDPJRHYEBE-DTWKUNHWSA-N -1 3 241.316 0.877 20 0 BCADHM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]CC(C)(C)F ZINC000632609143 373031702 /nfs/dbraw/zinc/03/17/02/373031702.db2.gz WFEOBKQJQYQIKQ-HTQZYQBOSA-N -1 3 239.312 0.831 20 0 BCADHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000632630740 373045597 /nfs/dbraw/zinc/04/55/97/373045597.db2.gz PNRUBHGFPOEPKV-RQJHMYQMSA-N -1 3 201.247 0.966 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2O)o1 ZINC000632699804 373077961 /nfs/dbraw/zinc/07/79/61/373077961.db2.gz FLYZSLVNACZXQI-IUCAKERBSA-N -1 3 245.300 0.780 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1conc1C ZINC000632928545 373223589 /nfs/dbraw/zinc/22/35/89/373223589.db2.gz SKAKJWIDPIIYIW-UHFFFAOYSA-N -1 3 221.220 0.847 20 0 BCADHM COC(=O)[C@@](C)([N-]S(=O)(=O)C1CC1)C1CC1 ZINC000173175807 373247178 /nfs/dbraw/zinc/24/71/78/373247178.db2.gz GDWVQZHRKHHDTB-JTQLQIEISA-N -1 3 247.316 0.410 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1CSC1 ZINC000633101995 373290583 /nfs/dbraw/zinc/29/05/83/373290583.db2.gz ZKCJATIKPUTQEN-UHFFFAOYSA-N -1 3 241.316 0.122 20 0 BCADHM O=C(CC1CCC1)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521451 373582779 /nfs/dbraw/zinc/58/27/79/373582779.db2.gz REBAWQPWDUPKGU-UHFFFAOYSA-N -1 3 237.259 0.694 20 0 BCADHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)C1CCCC1 ZINC000633521789 373582894 /nfs/dbraw/zinc/58/28/94/373582894.db2.gz OZCUXOVXCCSRCR-UHFFFAOYSA-N -1 3 237.259 0.694 20 0 BCADHM C[C@H](C(=O)NCc1cc(=O)[n-]c(=O)[nH]1)C1CC1 ZINC000633520523 373583629 /nfs/dbraw/zinc/58/36/29/373583629.db2.gz HSNPCOGXYXKJRP-LURJTMIESA-N -1 3 237.259 0.550 20 0 BCADHM O=C(CCC1CC1)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521470 373583780 /nfs/dbraw/zinc/58/37/80/373583780.db2.gz LCXSPCCHSNGMLA-UHFFFAOYSA-N -1 3 237.259 0.694 20 0 BCADHM O=C(NCCC[C@H]1CCCCO1)c1c[n-]nn1 ZINC000186694361 182174953 /nfs/dbraw/zinc/17/49/53/182174953.db2.gz DOLCMYMKJBLTQM-SECBINFHSA-N -1 3 238.291 0.884 20 0 BCADHM O=C(NCCC[C@H]1CCCCO1)c1cnn[n-]1 ZINC000186694361 182174955 /nfs/dbraw/zinc/17/49/55/182174955.db2.gz DOLCMYMKJBLTQM-SECBINFHSA-N -1 3 238.291 0.884 20 0 BCADHM O=C(NCCC[C@H]1CCCCO1)c1cn[n-]n1 ZINC000186694361 182174956 /nfs/dbraw/zinc/17/49/56/182174956.db2.gz DOLCMYMKJBLTQM-SECBINFHSA-N -1 3 238.291 0.884 20 0 BCADHM O=C(NCCN1CC=CCC1)c1ncccc1[O-] ZINC000280213117 182181795 /nfs/dbraw/zinc/18/17/95/182181795.db2.gz KSKZHTZXHOLLSF-UHFFFAOYSA-N -1 3 247.298 0.779 20 0 BCADHM CCC[C@H](CCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000633833501 373789251 /nfs/dbraw/zinc/78/92/51/373789251.db2.gz JYYQOGZZNGSHEG-MRVPVSSYSA-N -1 3 239.275 0.463 20 0 BCADHM O=C(NCCNc1ccccn1)c1c[n-]nn1 ZINC000357723761 182189236 /nfs/dbraw/zinc/18/92/36/182189236.db2.gz OGMVIQHQBUWBLR-UHFFFAOYSA-N -1 3 232.247 0.042 20 0 BCADHM O=C(NCCNc1ccccn1)c1cnn[n-]1 ZINC000357723761 182189240 /nfs/dbraw/zinc/18/92/40/182189240.db2.gz OGMVIQHQBUWBLR-UHFFFAOYSA-N -1 3 232.247 0.042 20 0 BCADHM O=C(NCCNc1ccccn1)c1cn[n-]n1 ZINC000357723761 182189241 /nfs/dbraw/zinc/18/92/41/182189241.db2.gz OGMVIQHQBUWBLR-UHFFFAOYSA-N -1 3 232.247 0.042 20 0 BCADHM O=C(NCCOC(F)(F)F)c1c[n-]nn1 ZINC000356814472 182195075 /nfs/dbraw/zinc/19/50/75/182195075.db2.gz QWOAFSTZZDUCHI-UHFFFAOYSA-N -1 3 224.142 0.071 20 0 BCADHM O=C(NCCOC(F)(F)F)c1cnn[n-]1 ZINC000356814472 182195078 /nfs/dbraw/zinc/19/50/78/182195078.db2.gz QWOAFSTZZDUCHI-UHFFFAOYSA-N -1 3 224.142 0.071 20 0 BCADHM O=C(NCCOC(F)(F)F)c1cn[n-]n1 ZINC000356814472 182195080 /nfs/dbraw/zinc/19/50/80/182195080.db2.gz QWOAFSTZZDUCHI-UHFFFAOYSA-N -1 3 224.142 0.071 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC1COC1 ZINC000634261239 374076311 /nfs/dbraw/zinc/07/63/11/374076311.db2.gz HQYQQNMZDLHGSI-UHFFFAOYSA-N -1 3 207.229 0.829 20 0 BCADHM O=C(NC[C@H]1CCCO1)c1ccc2n[n-]nc2c1 ZINC000041947493 182239408 /nfs/dbraw/zinc/23/94/08/182239408.db2.gz UXUMJURIDMGQHY-SECBINFHSA-N -1 3 246.270 0.867 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000174768283 374262760 /nfs/dbraw/zinc/26/27/60/374262760.db2.gz DKPBPGNHOJPCRI-UHFFFAOYSA-N -1 3 244.320 0.511 20 0 BCADHM O=C(NCc1ncccc1[O-])c1cncnc1 ZINC000352509521 182273259 /nfs/dbraw/zinc/27/32/59/182273259.db2.gz PLELYYLEWXTULG-UHFFFAOYSA-N -1 3 230.227 0.507 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@H]1CCCCO1 ZINC000331027493 182273423 /nfs/dbraw/zinc/27/34/23/182273423.db2.gz WCWFWJWNEGFXSL-LLVKDONJSA-N -1 3 236.271 0.973 20 0 BCADHM O=C(NCc1ncccc1[O-])C1(O)CCCC1 ZINC000331030475 182273963 /nfs/dbraw/zinc/27/39/63/182273963.db2.gz YXWNDIJGEDEFDS-UHFFFAOYSA-N -1 3 236.271 0.709 20 0 BCADHM O=C(NCc1ncccc1[O-])C1(O)CCC1 ZINC000332505013 182274048 /nfs/dbraw/zinc/27/40/48/182274048.db2.gz XELMYIFOLNBZLL-UHFFFAOYSA-N -1 3 222.244 0.318 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1c[n-]nn1 ZINC000126519862 182298506 /nfs/dbraw/zinc/29/85/06/182298506.db2.gz LYPJQVIUNBSBQY-MRTMQBJTSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cnn[n-]1 ZINC000126519862 182298507 /nfs/dbraw/zinc/29/85/07/182298507.db2.gz LYPJQVIUNBSBQY-MRTMQBJTSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cn[n-]n1 ZINC000126519862 182298508 /nfs/dbraw/zinc/29/85/08/182298508.db2.gz LYPJQVIUNBSBQY-MRTMQBJTSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1c[n-]nn1 ZINC000185056970 182307415 /nfs/dbraw/zinc/30/74/15/182307415.db2.gz UEYLVHHVLNNTHV-SCZZXKLOSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cnn[n-]1 ZINC000185056970 182307417 /nfs/dbraw/zinc/30/74/17/182307417.db2.gz UEYLVHHVLNNTHV-SCZZXKLOSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cn[n-]n1 ZINC000185056970 182307420 /nfs/dbraw/zinc/30/74/20/182307420.db2.gz UEYLVHHVLNNTHV-SCZZXKLOSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1ccccc1[O-] ZINC000333088255 182321382 /nfs/dbraw/zinc/32/13/82/182321382.db2.gz SCVFZKVWGCDHNU-JZYVYDRUSA-N -1 3 219.240 0.767 20 0 BCADHM O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1c([O-])cccc1O ZINC000333308705 182321468 /nfs/dbraw/zinc/32/14/68/182321468.db2.gz UWRUFNJTASSKSV-IIDWOEFGSA-N -1 3 235.239 0.472 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C1)c1ccccc1[O-] ZINC000298318111 182317373 /nfs/dbraw/zinc/31/73/73/182317373.db2.gz JPQWVDPRLVQKAC-OCAPTIKFSA-N -1 3 207.229 0.645 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C1)c1c([O-])cccc1O ZINC000298470025 182317412 /nfs/dbraw/zinc/31/74/12/182317412.db2.gz RDRQFIICVAXUAA-KNVOCYPGSA-N -1 3 223.228 0.351 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1CCO)c1c[n-]nn1 ZINC000189264940 182331822 /nfs/dbraw/zinc/33/18/22/182331822.db2.gz RMPPUBPMUSBDFW-SFYZADRCSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1CCO)c1cnn[n-]1 ZINC000189264940 182331824 /nfs/dbraw/zinc/33/18/24/182331824.db2.gz RMPPUBPMUSBDFW-SFYZADRCSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1CCO)c1cn[n-]n1 ZINC000189264940 182331826 /nfs/dbraw/zinc/33/18/26/182331826.db2.gz RMPPUBPMUSBDFW-SFYZADRCSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H](CO)CC1CCC1)c1c[n-]nn1 ZINC000279915661 182323942 /nfs/dbraw/zinc/32/39/42/182323942.db2.gz FVIDKZWBCZHJOC-QMMMGPOBSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H](CO)CC1CCC1)c1cnn[n-]1 ZINC000279915661 182323944 /nfs/dbraw/zinc/32/39/44/182323944.db2.gz FVIDKZWBCZHJOC-QMMMGPOBSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H](CO)CC1CCC1)c1cn[n-]n1 ZINC000279915661 182323946 /nfs/dbraw/zinc/32/39/46/182323946.db2.gz FVIDKZWBCZHJOC-QMMMGPOBSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCC[C@H]1CCO)c1c[n-]nn1 ZINC000189264981 182332781 /nfs/dbraw/zinc/33/27/81/182332781.db2.gz RMPPUBPMUSBDFW-YUMQZZPRSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCC[C@H]1CCO)c1cnn[n-]1 ZINC000189264981 182332783 /nfs/dbraw/zinc/33/27/83/182332783.db2.gz RMPPUBPMUSBDFW-YUMQZZPRSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCC[C@H]1CCO)c1cn[n-]n1 ZINC000189264981 182332784 /nfs/dbraw/zinc/33/27/84/182332784.db2.gz RMPPUBPMUSBDFW-YUMQZZPRSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@H]1CCN(C2CC2)C1)c1ncccc1[O-] ZINC000044679278 182333798 /nfs/dbraw/zinc/33/37/98/182333798.db2.gz CYWNVINPBQKFSQ-VIFPVBQESA-N -1 3 247.298 0.754 20 0 BCADHM O=C(Nc1cc[nH]n1)c1ccc2[n-]c(=O)nc-2[nH]1 ZINC000339396757 182351842 /nfs/dbraw/zinc/35/18/42/182351842.db2.gz WRQDIJRWIPOINP-UHFFFAOYSA-N -1 3 244.214 0.639 20 0 BCADHM O=C(Nc1ccc2c(n1)CCC2)c1nnc[n-]1 ZINC000297308452 182365345 /nfs/dbraw/zinc/36/53/45/182365345.db2.gz YHNIVHFOFIBTBV-UHFFFAOYSA-N -1 3 229.243 0.941 20 0 BCADHM O=C(Nc1ccc2c(n1)CCC2)c1nc[n-]n1 ZINC000297308452 182365348 /nfs/dbraw/zinc/36/53/48/182365348.db2.gz YHNIVHFOFIBTBV-UHFFFAOYSA-N -1 3 229.243 0.941 20 0 BCADHM O=C(Nc1ccnc2ccnn21)c1nnc[n-]1 ZINC000358524166 182386545 /nfs/dbraw/zinc/38/65/45/182386545.db2.gz BZHFTOJNZPRGTA-UHFFFAOYSA-N -1 3 229.203 0.100 20 0 BCADHM O=C(Nc1ccnc2ccnn21)c1nc[n-]n1 ZINC000358524166 182386547 /nfs/dbraw/zinc/38/65/47/182386547.db2.gz BZHFTOJNZPRGTA-UHFFFAOYSA-N -1 3 229.203 0.100 20 0 BCADHM CCCC[C@H](NC(=O)[C@H](N)C(C)C)C(=O)[O-] ZINC000027735158 169010076 /nfs/dbraw/zinc/01/00/76/169010076.db2.gz OYERYTXFSRFVON-DTWKUNHWSA-N -1 3 230.308 0.729 20 0 BCADHM OC[C@@H](CN=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000356956479 183104273 /nfs/dbraw/zinc/10/42/73/183104273.db2.gz ZQICZQRBWHBKBD-MRVPVSSYSA-N -1 3 233.275 0.157 20 0 BCADHM OC[C@H]1C=C[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000359033027 183146944 /nfs/dbraw/zinc/14/69/44/183146944.db2.gz TZBBEHDXOYTZEM-YUMQZZPRSA-N -1 3 231.259 0.075 20 0 BCADHM CCCN(C)S(=O)(=O)[N-]c1cnn(CC)c1 ZINC000268783889 169084914 /nfs/dbraw/zinc/08/49/14/169084914.db2.gz QTWLXCZQLKOWEQ-UHFFFAOYSA-N -1 3 246.336 0.902 20 0 BCADHM CCCN(CC(N)=O)Cc1nc(C)ccc1[O-] ZINC000336691772 169110383 /nfs/dbraw/zinc/11/03/83/169110383.db2.gz HNZSZEKQLAOYCI-UHFFFAOYSA-N -1 3 237.303 0.793 20 0 BCADHM CCCN(CCO)C(=O)c1csc(=O)[n-]1 ZINC000331001758 169165433 /nfs/dbraw/zinc/16/54/33/169165433.db2.gz XJHRPOMKKSVBNO-UHFFFAOYSA-N -1 3 230.289 0.693 20 0 BCADHM O=c1[n-]c(CN2CCN3CCCC[C@H]3C2)n[nH]1 ZINC000329272930 183307610 /nfs/dbraw/zinc/30/76/10/183307610.db2.gz IAENHHGHDJPRGX-VIFPVBQESA-N -1 3 237.307 0.180 20 0 BCADHM CCCS(=O)(=O)[N-]Cc1nnc(C2CC2)o1 ZINC000331744224 169332348 /nfs/dbraw/zinc/33/23/48/169332348.db2.gz CDZFNVSRAMHWIS-UHFFFAOYSA-N -1 3 245.304 0.776 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccn1 ZINC000522263394 259626368 /nfs/dbraw/zinc/62/63/68/259626368.db2.gz RPIKWPZWSYDSGM-VIFPVBQESA-N -1 3 246.270 0.323 20 0 BCADHM Cn1cnnc1CNC(=O)c1c([O-])cccc1O ZINC000228855306 259636739 /nfs/dbraw/zinc/63/67/39/259636739.db2.gz LPTYNQDDBIAKIC-UHFFFAOYSA-N -1 3 248.242 0.156 20 0 BCADHM CC[C@H](CO)NC(=O)c1cc(OC)ccc1[O-] ZINC000035205362 383841858 /nfs/dbraw/zinc/84/18/58/383841858.db2.gz NWJURSMNRITSLP-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM CC1(C)CN(C(=O)c2cncc([O-])c2)CCN1 ZINC000396056014 383858300 /nfs/dbraw/zinc/85/83/00/383858300.db2.gz FSLABFWKSDZXPU-UHFFFAOYSA-N -1 3 235.287 0.611 20 0 BCADHM CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000313091244 383869613 /nfs/dbraw/zinc/86/96/13/383869613.db2.gz AQAWRGKJQPXSIR-YUMQZZPRSA-N -1 3 247.320 0.238 20 0 BCADHM O=C1C[C@]2(CCN(Cc3ncccc3[O-])C2)CN1 ZINC000558408886 383991397 /nfs/dbraw/zinc/99/13/97/383991397.db2.gz JEBLUCHAWMIJED-CYBMUJFWSA-N -1 3 247.298 0.499 20 0 BCADHM O=C([N-]C1=NCC(=O)N1)c1c(F)cccc1F ZINC000530987704 384022285 /nfs/dbraw/zinc/02/22/85/384022285.db2.gz HWGCAJUKBMOYGT-UHFFFAOYSA-N -1 3 239.181 0.180 20 0 BCADHM C/C=C/C[C@@H]([N-]S(C)(=O)=O)C(=O)OCC ZINC000332466002 384004383 /nfs/dbraw/zinc/00/43/83/384004383.db2.gz KDTQYCRCBJGOON-YZCDNWJKSA-N -1 3 235.305 0.434 20 0 BCADHM CCN(CCO)C(=O)c1ccc(OC)cc1[O-] ZINC000037854228 384028514 /nfs/dbraw/zinc/02/85/14/384028514.db2.gz LYVFIGNDCMDCOZ-UHFFFAOYSA-N -1 3 239.271 0.855 20 0 BCADHM COCCN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000408007703 384096719 /nfs/dbraw/zinc/09/67/19/384096719.db2.gz FAEHUZKTGXJMCO-QMMMGPOBSA-N -1 3 227.264 0.601 20 0 BCADHM COC[C@H](C)CS(=O)(=O)[N-]Cc1ccno1 ZINC000518620759 384097433 /nfs/dbraw/zinc/09/74/33/384097433.db2.gz PUZRHZXLDXSREZ-QMMMGPOBSA-N -1 3 248.304 0.377 20 0 BCADHM COc1nc(NC(=O)C[C@H]2C[C@@H]2C)n[n-]1 ZINC000518651497 384149893 /nfs/dbraw/zinc/14/98/93/384149893.db2.gz LDXZLMMLGOYEOF-NTSWFWBYSA-N -1 3 210.237 0.798 20 0 BCADHM COc1nnc(NC(=O)C[C@H]2C[C@@H]2C)[n-]1 ZINC000518651497 384149901 /nfs/dbraw/zinc/14/99/01/384149901.db2.gz LDXZLMMLGOYEOF-NTSWFWBYSA-N -1 3 210.237 0.798 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@H]2C[C@@H]2C)n1 ZINC000518651497 384149904 /nfs/dbraw/zinc/14/99/04/384149904.db2.gz LDXZLMMLGOYEOF-NTSWFWBYSA-N -1 3 210.237 0.798 20 0 BCADHM COC[C@@H](O)CNC(=O)c1ccc(C)cc1[O-] ZINC000071263836 384156132 /nfs/dbraw/zinc/15/61/32/384156132.db2.gz CUPHYANFVWDPDC-VIFPVBQESA-N -1 3 239.271 0.438 20 0 BCADHM O=C(NCC1(O)CCC1)c1c([O-])cccc1O ZINC000092123164 384140907 /nfs/dbraw/zinc/14/09/07/384140907.db2.gz DBLHLMAQMZBQIB-UHFFFAOYSA-N -1 3 237.255 0.743 20 0 BCADHM Cc1noc(CNC(=O)c2c([O-])cccc2O)n1 ZINC000092119732 384141033 /nfs/dbraw/zinc/14/10/33/384141033.db2.gz PGOIIMXXTWEMFW-UHFFFAOYSA-N -1 3 249.226 0.719 20 0 BCADHM CC[C@H](CCO)[N-]S(=O)(=O)c1ccco1 ZINC000188717494 384163149 /nfs/dbraw/zinc/16/31/49/384163149.db2.gz FBOXIWYROLPVJK-MRVPVSSYSA-N -1 3 233.289 0.719 20 0 BCADHM CC(C)[C@H](O)CNC(=O)c1c([O-])cccc1O ZINC000092125478 384166257 /nfs/dbraw/zinc/16/62/57/384166257.db2.gz MVJNXNVIEWKYQQ-SNVBAGLBSA-N -1 3 239.271 0.845 20 0 BCADHM CN(C)CC[N-]S(=O)(=O)c1cccs1 ZINC000007612647 384182945 /nfs/dbraw/zinc/18/29/45/384182945.db2.gz AOFPAHFUYPEHPG-UHFFFAOYSA-N -1 3 234.346 0.588 20 0 BCADHM O=C(NC[C@@H]1CCOC1)c1ccc2n[n-]nc2c1 ZINC000041374182 384187640 /nfs/dbraw/zinc/18/76/40/384187640.db2.gz DIOHFMDKHBNIDB-QMMMGPOBSA-N -1 3 246.270 0.724 20 0 BCADHM CC(C)[C@H](C(=O)NCC(=O)[O-])N1CCCCC1 ZINC000033434830 384218772 /nfs/dbraw/zinc/21/87/72/384218772.db2.gz DQTCEIXNLVTLJG-LLVKDONJSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1n[n-]c(OC)n1 ZINC000356592740 384267587 /nfs/dbraw/zinc/26/75/87/384267587.db2.gz HGUXBERVTVKVSH-RNFRBKRXSA-N -1 3 242.279 0.813 20 0 BCADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1nnc(OC)[n-]1 ZINC000356592740 384267594 /nfs/dbraw/zinc/26/75/94/384267594.db2.gz HGUXBERVTVKVSH-RNFRBKRXSA-N -1 3 242.279 0.813 20 0 BCADHM CC[C@@H](C)[C@@H](OC)C(=O)Nc1nc(OC)n[n-]1 ZINC000356592740 384267598 /nfs/dbraw/zinc/26/75/98/384267598.db2.gz HGUXBERVTVKVSH-RNFRBKRXSA-N -1 3 242.279 0.813 20 0 BCADHM O=S(=O)([N-][C@@H]1CCC[C@H]1O)c1cscn1 ZINC000569572174 384267869 /nfs/dbraw/zinc/26/78/69/384267869.db2.gz YGZLRXOTYKMRPO-RNFRBKRXSA-N -1 3 248.329 0.335 20 0 BCADHM C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)[O-] ZINC000332421051 384310412 /nfs/dbraw/zinc/31/04/12/384310412.db2.gz SFFCUUVVEMUYCR-IUCAKERBSA-N -1 3 226.276 0.156 20 0 BCADHM C[C@H](CO)CNC(=O)c1cccc([O-])c1 ZINC000083215581 384288885 /nfs/dbraw/zinc/28/88/85/384288885.db2.gz FQLHCYRGWKNRQT-QMMMGPOBSA-N -1 3 209.245 0.750 20 0 BCADHM CC(C)[C@H](O)C[N-]S(=O)(=O)Cc1ccon1 ZINC000120614447 384363778 /nfs/dbraw/zinc/36/37/78/384363778.db2.gz OXRRTTJVLBJRQL-SECBINFHSA-N -1 3 248.304 0.111 20 0 BCADHM Cc1ccc(NC([O-])=NOCC(N)=O)cc1C ZINC000121185051 384400367 /nfs/dbraw/zinc/40/03/67/384400367.db2.gz QGLHYHROOFGWRV-UHFFFAOYSA-N -1 3 237.259 0.842 20 0 BCADHM Cc1ccc(NC(=O)[N-]OCC(N)=O)cc1C ZINC000121185051 384400375 /nfs/dbraw/zinc/40/03/75/384400375.db2.gz QGLHYHROOFGWRV-UHFFFAOYSA-N -1 3 237.259 0.842 20 0 BCADHM O=S(=O)([N-]CCO)c1ccc(F)c(F)c1 ZINC000035610717 384416006 /nfs/dbraw/zinc/41/60/06/384416006.db2.gz PFLOHNTXIHAWFR-UHFFFAOYSA-N -1 3 237.227 0.235 20 0 BCADHM CCCC(C)(C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000078599906 384451429 /nfs/dbraw/zinc/45/14/29/384451429.db2.gz KLXRRYZYAMOUET-UHFFFAOYSA-N -1 3 241.291 0.233 20 0 BCADHM CN1CCN(C(=O)/C=C\c2cncc([O-])c2)CC1 ZINC000255269239 384465535 /nfs/dbraw/zinc/46/55/35/384465535.db2.gz VMOROVQQSNAQQC-IHWYPQMZSA-N -1 3 247.298 0.574 20 0 BCADHM Cc1cnc(C(=O)NCCc2nc[nH]n2)c([O-])c1 ZINC000427260216 384489539 /nfs/dbraw/zinc/48/95/39/384489539.db2.gz KMVOMTOHGXEMQE-UHFFFAOYSA-N -1 3 247.258 0.186 20 0 BCADHM C[C@@H]1C[C@H](O)CN1C(=O)c1cccc([O-])c1 ZINC000335835400 384517699 /nfs/dbraw/zinc/51/76/99/384517699.db2.gz IHBOGCVDHRETIF-KCJUWKMLSA-N -1 3 221.256 0.988 20 0 BCADHM C[C@H](CCO)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000097444119 384522339 /nfs/dbraw/zinc/52/23/39/384522339.db2.gz HLUPCMQMTZVYDF-MRVPVSSYSA-N -1 3 248.286 0.706 20 0 BCADHM Cc1ccc(C(=O)C(=O)[N-]c2ncnn2C)cc1 ZINC000151147094 384547202 /nfs/dbraw/zinc/54/72/02/384547202.db2.gz ROJNPOIXMTZARU-UHFFFAOYSA-N -1 3 244.254 0.945 20 0 BCADHM C[C@H](O)CC(C)(C)CNC(=O)c1c[n-]nn1 ZINC000176106872 384548858 /nfs/dbraw/zinc/54/88/58/384548858.db2.gz ZHPQZQGXMFMXAH-ZETCQYMHSA-N -1 3 226.280 0.332 20 0 BCADHM C[C@H](O)CC(C)(C)CNC(=O)c1cnn[n-]1 ZINC000176106872 384548865 /nfs/dbraw/zinc/54/88/65/384548865.db2.gz ZHPQZQGXMFMXAH-ZETCQYMHSA-N -1 3 226.280 0.332 20 0 BCADHM C[C@H](O)CC(C)(C)CNC(=O)c1cn[n-]n1 ZINC000176106872 384548870 /nfs/dbraw/zinc/54/88/70/384548870.db2.gz ZHPQZQGXMFMXAH-ZETCQYMHSA-N -1 3 226.280 0.332 20 0 BCADHM C[C@H](O)CCN(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000123323326 384551007 /nfs/dbraw/zinc/55/10/07/384551007.db2.gz KUIUCCZGOYHHDN-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM O=C([O-])CN1CCN(Cc2cccnc2)CC1 ZINC000019795341 384540444 /nfs/dbraw/zinc/54/04/44/384540444.db2.gz UXGTVCKKKDSKAP-UHFFFAOYSA-N -1 3 235.287 0.284 20 0 BCADHM CC(C)(C)C[C@H](O)CNC(=O)c1c[n-]nn1 ZINC000172305150 384563534 /nfs/dbraw/zinc/56/35/34/384563534.db2.gz ZXWJDZQIRISSHY-ZETCQYMHSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)(C)C[C@H](O)CNC(=O)c1cnn[n-]1 ZINC000172305150 384563545 /nfs/dbraw/zinc/56/35/45/384563545.db2.gz ZXWJDZQIRISSHY-ZETCQYMHSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)(C)C[C@H](O)CNC(=O)c1cn[n-]n1 ZINC000172305150 384563547 /nfs/dbraw/zinc/56/35/47/384563547.db2.gz ZXWJDZQIRISSHY-ZETCQYMHSA-N -1 3 226.280 0.332 20 0 BCADHM Cc1ccc(C(=O)NCCc2nnc[nH]2)c([O-])c1 ZINC000080584760 384569594 /nfs/dbraw/zinc/56/95/94/384569594.db2.gz PGWTWIUVVPVZGV-UHFFFAOYSA-N -1 3 246.270 0.791 20 0 BCADHM Cc1nnc([N-]C(=O)c2nc[nH]n2)s1 ZINC000006523601 384604877 /nfs/dbraw/zinc/60/48/77/384604877.db2.gz HIDWZGATYLZIRM-UHFFFAOYSA-N -1 3 210.222 0.217 20 0 BCADHM CC[C@@H](C)CS(=O)(=O)[N-][C@@H](C)C(=O)OC ZINC000117905954 384615426 /nfs/dbraw/zinc/61/54/26/384615426.db2.gz QEYLLSMHBLUCIO-SFYZADRCSA-N -1 3 237.321 0.513 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccoc1C ZINC000523684661 259654884 /nfs/dbraw/zinc/65/48/84/259654884.db2.gz KDVHIERZNQLIQB-VIFPVBQESA-N -1 3 249.270 0.830 20 0 BCADHM O=C(c1cccc([O-])c1)N1CCn2cnnc2C1 ZINC000081525430 384623520 /nfs/dbraw/zinc/62/35/20/384623520.db2.gz UWJVJYGBEOPRSP-UHFFFAOYSA-N -1 3 244.254 0.640 20 0 BCADHM Cc1cccc(C(=O)NCCOCCO)c1[O-] ZINC000048150684 384672779 /nfs/dbraw/zinc/67/27/79/384672779.db2.gz NRGIOUPMMKTHKA-UHFFFAOYSA-N -1 3 239.271 0.439 20 0 BCADHM CN(C)C(=O)CCNC(=O)c1ccccc1[O-] ZINC000044362643 384655356 /nfs/dbraw/zinc/65/53/56/384655356.db2.gz NUWPTNIRPVSQRS-UHFFFAOYSA-N -1 3 236.271 0.600 20 0 BCADHM CC[C@H](CO)NC(=O)c1ccc([O-])c(OC)c1 ZINC000082265683 384656603 /nfs/dbraw/zinc/65/66/03/384656603.db2.gz GHPQSPODRFMXLF-SECBINFHSA-N -1 3 239.271 0.902 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@H](CO)C1 ZINC000051883947 384698246 /nfs/dbraw/zinc/69/82/46/384698246.db2.gz YFCYMGHDPQRKLI-VIFPVBQESA-N -1 3 221.256 0.847 20 0 BCADHM CC[C@@H](C)[C@H](CNC(=O)c1c[n-]nn1)OC ZINC000294275145 384713972 /nfs/dbraw/zinc/71/39/72/384713972.db2.gz SEIFPNMHENTAIR-APPZFPTMSA-N -1 3 226.280 0.596 20 0 BCADHM CC[C@@H](C)[C@H](CNC(=O)c1cnn[n-]1)OC ZINC000294275145 384713977 /nfs/dbraw/zinc/71/39/77/384713977.db2.gz SEIFPNMHENTAIR-APPZFPTMSA-N -1 3 226.280 0.596 20 0 BCADHM CC[C@@H](C)[C@H](CNC(=O)c1cn[n-]n1)OC ZINC000294275145 384713981 /nfs/dbraw/zinc/71/39/81/384713981.db2.gz SEIFPNMHENTAIR-APPZFPTMSA-N -1 3 226.280 0.596 20 0 BCADHM CC(C)(O)C[N-]S(=O)(=O)c1ccccc1F ZINC000083464316 384774058 /nfs/dbraw/zinc/77/40/58/384774058.db2.gz QXEUZLICTUODGO-UHFFFAOYSA-N -1 3 247.291 0.875 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC[C@@H](C)O ZINC000082996623 384738414 /nfs/dbraw/zinc/73/84/14/384738414.db2.gz MHMGEXUZGDMSET-ZCFIWIBFSA-N -1 3 248.304 0.341 20 0 BCADHM Cc1ccc(/C=C\C(=O)[N-]OCC(N)=O)o1 ZINC000255511192 384738460 /nfs/dbraw/zinc/73/84/60/384738460.db2.gz JZYALUUVTRKRKS-PLNGDYQASA-N -1 3 224.216 0.134 20 0 BCADHM Cc1nnc([N-]C(=O)c2nccnc2N)s1 ZINC000042184969 384755874 /nfs/dbraw/zinc/75/58/74/384755874.db2.gz RAIQWVGHQDROKU-UHFFFAOYSA-N -1 3 236.260 0.471 20 0 BCADHM C[C@]1(CNC(=O)c2c[n-]nn2)CCCO1 ZINC000087263257 384757601 /nfs/dbraw/zinc/75/76/01/384757601.db2.gz WHDLHHGMSAJKIX-SECBINFHSA-N -1 3 210.237 0.104 20 0 BCADHM C[C@]1(CNC(=O)c2cnn[n-]2)CCCO1 ZINC000087263257 384757610 /nfs/dbraw/zinc/75/76/10/384757610.db2.gz WHDLHHGMSAJKIX-SECBINFHSA-N -1 3 210.237 0.104 20 0 BCADHM C[C@]1(CNC(=O)c2cn[n-]n2)CCCO1 ZINC000087263257 384757616 /nfs/dbraw/zinc/75/76/16/384757616.db2.gz WHDLHHGMSAJKIX-SECBINFHSA-N -1 3 210.237 0.104 20 0 BCADHM Cc1ccc([O-])c(CNCCC(=O)N(C)C)n1 ZINC000103344676 384763578 /nfs/dbraw/zinc/76/35/78/384763578.db2.gz RZJDCTBFKGWWBG-UHFFFAOYSA-N -1 3 237.303 0.664 20 0 BCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)CS1 ZINC000335250448 384872672 /nfs/dbraw/zinc/87/26/72/384872672.db2.gz OZVZFSGDNCMVAM-RQJHMYQMSA-N -1 3 247.345 0.582 20 0 BCADHM CCS(=O)(=O)[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000105714013 384880681 /nfs/dbraw/zinc/88/06/81/384880681.db2.gz IYESKSWJLXOJLD-SSDOTTSWSA-N -1 3 246.288 0.745 20 0 BCADHM Cn1cc(S(=O)(=O)[N-]CC(C)(F)F)cn1 ZINC000555407362 384887045 /nfs/dbraw/zinc/88/70/45/384887045.db2.gz AAMIOMUGYVWZBQ-UHFFFAOYSA-N -1 3 239.247 0.354 20 0 BCADHM CCCN(C(=O)C(=O)[O-])[C@H]1CCN(C)C1 ZINC000647599124 384900323 /nfs/dbraw/zinc/90/03/23/384900323.db2.gz KESIFTNLDQVBPS-QMMMGPOBSA-N -1 3 214.265 0.014 20 0 BCADHM CCCN(C(=O)C(=O)[O-])[C@@H]1CCN(C)C1 ZINC000647599123 384901603 /nfs/dbraw/zinc/90/16/03/384901603.db2.gz KESIFTNLDQVBPS-MRVPVSSYSA-N -1 3 214.265 0.014 20 0 BCADHM CSC(C)(C)CNC(=O)c1c[n-]nn1 ZINC000128274018 384938959 /nfs/dbraw/zinc/93/89/59/384938959.db2.gz ACBUHKKKFMQGKB-UHFFFAOYSA-N -1 3 214.294 0.676 20 0 BCADHM CSC(C)(C)CNC(=O)c1cnn[n-]1 ZINC000128274018 384938963 /nfs/dbraw/zinc/93/89/63/384938963.db2.gz ACBUHKKKFMQGKB-UHFFFAOYSA-N -1 3 214.294 0.676 20 0 BCADHM CSC(C)(C)CNC(=O)c1cn[n-]n1 ZINC000128274018 384938967 /nfs/dbraw/zinc/93/89/67/384938967.db2.gz ACBUHKKKFMQGKB-UHFFFAOYSA-N -1 3 214.294 0.676 20 0 BCADHM C[C@H](C[S@](C)=O)NC(=O)c1cccc([O-])c1 ZINC000164357201 384968657 /nfs/dbraw/zinc/96/86/57/384968657.db2.gz OEPQUXWMTPKWAX-VPTHRUTESA-N -1 3 241.312 0.889 20 0 BCADHM O=S(=O)([N-][C@@H]1CCCSC1)c1c[nH]cn1 ZINC000129223761 384983746 /nfs/dbraw/zinc/98/37/46/384983746.db2.gz HGOBSRXDUVPGJB-SSDOTTSWSA-N -1 3 247.345 0.584 20 0 BCADHM C[C@@H](CO)CNC(=O)Cc1cncc([O-])c1 ZINC000646914580 385066547 /nfs/dbraw/zinc/06/65/47/385066547.db2.gz ZVHMJYRTCLDPSY-MRVPVSSYSA-N -1 3 224.260 0.074 20 0 BCADHM O=S(=O)([N-][C@H]1CCCC[C@@H]1O)c1ccco1 ZINC000188706384 385082616 /nfs/dbraw/zinc/08/26/16/385082616.db2.gz QWVCMSPRDMVMGY-IUCAKERBSA-N -1 3 245.300 0.861 20 0 BCADHM CO[C@H](C)c1nc(=NCCN(C)C)s[n-]1 ZINC000336682234 385024284 /nfs/dbraw/zinc/02/42/84/385024284.db2.gz JIDGSEUBXVIKDY-SSDOTTSWSA-N -1 3 230.337 0.641 20 0 BCADHM CO[C@H](C)c1nsc(=NCCN(C)C)[n-]1 ZINC000336682234 385024294 /nfs/dbraw/zinc/02/42/94/385024294.db2.gz JIDGSEUBXVIKDY-SSDOTTSWSA-N -1 3 230.337 0.641 20 0 BCADHM Cc1nc([N-]C(=O)c2conc2C)n[nH]1 ZINC000402605800 385028743 /nfs/dbraw/zinc/02/87/43/385028743.db2.gz PJJLWLBDCSLIKG-UHFFFAOYSA-N -1 3 207.193 0.662 20 0 BCADHM CN(C)S(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000334146579 385044862 /nfs/dbraw/zinc/04/48/62/385044862.db2.gz CEZJDKROGJIUMS-UHFFFAOYSA-N -1 3 214.237 0.180 20 0 BCADHM CC(=O)[N-]OCC(=O)NCc1sccc1C ZINC000151384345 385108036 /nfs/dbraw/zinc/10/80/36/385108036.db2.gz LQGBCWBPRZNDIQ-UHFFFAOYSA-N -1 3 242.300 0.740 20 0 BCADHM CO[C@H](C)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000189064284 385121358 /nfs/dbraw/zinc/12/13/58/385121358.db2.gz CHIGJAYFLAQHGR-SSDOTTSWSA-N -1 3 234.259 0.723 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1ccco1)c1nc[nH]n1 ZINC000188800009 385091092 /nfs/dbraw/zinc/09/10/92/385091092.db2.gz GCPYXJNLJLIQRG-ZCFIWIBFSA-N -1 3 242.260 0.437 20 0 BCADHM Cc1noc(C)c1[C@@H](C)CNC(=O)c1c[n-]nn1 ZINC000152444643 385183925 /nfs/dbraw/zinc/18/39/25/385183925.db2.gz BCIRYAPKVVKVCB-LURJTMIESA-N -1 3 249.274 0.943 20 0 BCADHM Cc1noc(C)c1[C@@H](C)CNC(=O)c1cnn[n-]1 ZINC000152444643 385183928 /nfs/dbraw/zinc/18/39/28/385183928.db2.gz BCIRYAPKVVKVCB-LURJTMIESA-N -1 3 249.274 0.943 20 0 BCADHM Cc1noc(C)c1[C@@H](C)CNC(=O)c1cn[n-]n1 ZINC000152444643 385183934 /nfs/dbraw/zinc/18/39/34/385183934.db2.gz BCIRYAPKVVKVCB-LURJTMIESA-N -1 3 249.274 0.943 20 0 BCADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])C(N)=O ZINC000291688202 385184913 /nfs/dbraw/zinc/18/49/13/385184913.db2.gz MITNWWDHMGJSDX-SECBINFHSA-N -1 3 236.271 0.694 20 0 BCADHM Cc1noc(C)c1[C@H](C)CNC(=O)c1c[n-]nn1 ZINC000152444756 385185058 /nfs/dbraw/zinc/18/50/58/385185058.db2.gz BCIRYAPKVVKVCB-ZCFIWIBFSA-N -1 3 249.274 0.943 20 0 BCADHM Cc1noc(C)c1[C@H](C)CNC(=O)c1cnn[n-]1 ZINC000152444756 385185060 /nfs/dbraw/zinc/18/50/60/385185060.db2.gz BCIRYAPKVVKVCB-ZCFIWIBFSA-N -1 3 249.274 0.943 20 0 BCADHM Cc1noc(C)c1[C@H](C)CNC(=O)c1cn[n-]n1 ZINC000152444756 385185065 /nfs/dbraw/zinc/18/50/65/385185065.db2.gz BCIRYAPKVVKVCB-ZCFIWIBFSA-N -1 3 249.274 0.943 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000177292262 385214805 /nfs/dbraw/zinc/21/48/05/385214805.db2.gz CPBYATCNLZDWSB-ZETCQYMHSA-N -1 3 209.249 0.897 20 0 BCADHM O=S(=O)([N-]CCCCO)c1cccs1 ZINC000019782875 385308859 /nfs/dbraw/zinc/30/88/59/385308859.db2.gz QYDKNZFOXJDEFK-UHFFFAOYSA-N -1 3 235.330 0.799 20 0 BCADHM O=S(=O)([N-]CCO)c1ccc(Cl)s1 ZINC000019780755 385314214 /nfs/dbraw/zinc/31/42/14/385314214.db2.gz QNRKUCVLLHOVOQ-UHFFFAOYSA-N -1 3 241.721 0.672 20 0 BCADHM CCc1cc(=O)[n-]c(CN(CC)CC(N)=O)n1 ZINC000191704402 385315804 /nfs/dbraw/zinc/31/58/04/385315804.db2.gz CPGGQLOEMQUJSD-UHFFFAOYSA-N -1 3 238.291 0.052 20 0 BCADHM C[C@@H](CO)[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000166985449 385291384 /nfs/dbraw/zinc/29/13/84/385291384.db2.gz YTNYVPZQOAMXRH-YUMQZZPRSA-N -1 3 239.271 0.845 20 0 BCADHM CN(C)CC(=O)[N-]OCc1cccnc1 ZINC000154109055 385301172 /nfs/dbraw/zinc/30/11/72/385301172.db2.gz GFKOXVZVZCVDQX-UHFFFAOYSA-N -1 3 209.249 0.191 20 0 BCADHM CC(C)CCNC(=O)C(=O)[N-]c1cnns1 ZINC000191965493 385337527 /nfs/dbraw/zinc/33/75/27/385337527.db2.gz GIFWVHJNPWYXJC-UHFFFAOYSA-N -1 3 242.304 0.639 20 0 BCADHM O=C([O-])[C@H]1CCCN1CCOCC1CC1 ZINC000178922653 385346286 /nfs/dbraw/zinc/34/62/86/385346286.db2.gz GSGOSDBKAHSEDE-SNVBAGLBSA-N -1 3 213.277 0.962 20 0 BCADHM O=C([O-])[C@@H]1CCCN1CCOCC1CC1 ZINC000178922666 385346806 /nfs/dbraw/zinc/34/68/06/385346806.db2.gz GSGOSDBKAHSEDE-JTQLQIEISA-N -1 3 213.277 0.962 20 0 BCADHM CCCC(=O)Nc1nnc(SCCO)[n-]1 ZINC000155317378 385386520 /nfs/dbraw/zinc/38/65/20/385386520.db2.gz XYEMPZUWUQXMJC-UHFFFAOYSA-N -1 3 230.293 0.628 20 0 BCADHM CCCC(=O)Nc1nc(SCCO)n[n-]1 ZINC000155317378 385386525 /nfs/dbraw/zinc/38/65/25/385386525.db2.gz XYEMPZUWUQXMJC-UHFFFAOYSA-N -1 3 230.293 0.628 20 0 BCADHM CCCC(=O)Nc1n[n-]c(SCCO)n1 ZINC000155317378 385386528 /nfs/dbraw/zinc/38/65/28/385386528.db2.gz XYEMPZUWUQXMJC-UHFFFAOYSA-N -1 3 230.293 0.628 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NCCN1CCC1 ZINC000492521266 385391821 /nfs/dbraw/zinc/39/18/21/385391821.db2.gz PIIBJRSFMKZREH-IHWYPQMZSA-N -1 3 247.298 0.622 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(F)nc1 ZINC000193335460 385392657 /nfs/dbraw/zinc/39/26/57/385392657.db2.gz TUSMNRFMUODCCN-SSDOTTSWSA-N -1 3 248.279 0.997 20 0 BCADHM Cc1noc([N-]C(=O)c2nccnc2N)n1 ZINC000114680690 385421467 /nfs/dbraw/zinc/42/14/67/385421467.db2.gz VFSRUJMQXFESMU-UHFFFAOYSA-N -1 3 220.192 0.003 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)C1CCCC1 ZINC000336398609 385484560 /nfs/dbraw/zinc/48/45/60/385484560.db2.gz ZOXGRYVDCOPKRX-UHFFFAOYSA-N -1 3 210.281 0.483 20 0 BCADHM CCc1cccc(NC([O-])=NOCC(N)=O)c1 ZINC000180603185 385533226 /nfs/dbraw/zinc/53/32/26/385533226.db2.gz SNPVQXNBMNUXEL-UHFFFAOYSA-N -1 3 237.259 0.787 20 0 BCADHM CCc1cccc(NC(=O)[N-]OCC(N)=O)c1 ZINC000180603185 385533228 /nfs/dbraw/zinc/53/32/28/385533228.db2.gz SNPVQXNBMNUXEL-UHFFFAOYSA-N -1 3 237.259 0.787 20 0 BCADHM CCC[C@@H](C)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000408152153 385574083 /nfs/dbraw/zinc/57/40/83/385574083.db2.gz WLKKBIMIJIJRQB-ZJUUUORDSA-N -1 3 239.319 0.659 20 0 BCADHM O=c1ccc([N-]S(=O)(=O)c2c[nH]cn2)c[nH]1 ZINC000309410312 385572703 /nfs/dbraw/zinc/57/27/03/385572703.db2.gz KCEDASBBOFSUPL-UHFFFAOYSA-N -1 3 240.244 0.311 20 0 BCADHM O=C1CN(Cc2c(F)ccc([O-])c2F)CCN1 ZINC000281081252 385632243 /nfs/dbraw/zinc/63/22/43/385632243.db2.gz ULUYAPVUHYMBRP-UHFFFAOYSA-N -1 3 242.225 0.602 20 0 BCADHM CS[C@@H](C)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000269770753 385633951 /nfs/dbraw/zinc/63/39/51/385633951.db2.gz PHWVXIFSYGIXOJ-ZETCQYMHSA-N -1 3 249.361 0.450 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1cscn1 ZINC000280846996 385609924 /nfs/dbraw/zinc/60/99/24/385609924.db2.gz WDAHNUTWYGPOAC-UHFFFAOYSA-N -1 3 244.316 0.894 20 0 BCADHM C[C@H](CO)SCCCOC([O-])=NC(N)=O ZINC000270147985 385674733 /nfs/dbraw/zinc/67/47/33/385674733.db2.gz QPRGTEACVXNTLU-ZCFIWIBFSA-N -1 3 236.293 0.295 20 0 BCADHM C[C@H](CO)SCCCOC(=O)N=C(N)[O-] ZINC000270147985 385674736 /nfs/dbraw/zinc/67/47/36/385674736.db2.gz QPRGTEACVXNTLU-ZCFIWIBFSA-N -1 3 236.293 0.295 20 0 BCADHM C[C@H](CO)SCCCOC(=O)[N-]C(N)=O ZINC000270147985 385674741 /nfs/dbraw/zinc/67/47/41/385674741.db2.gz QPRGTEACVXNTLU-ZCFIWIBFSA-N -1 3 236.293 0.295 20 0 BCADHM C[C@H]([N-]C(=O)C(C)(Cl)Cl)C(N)=O ZINC000182554398 385681165 /nfs/dbraw/zinc/68/11/65/385681165.db2.gz BKSSCZXJNNKSCR-VKHMYHEASA-N -1 3 213.064 0.170 20 0 BCADHM Fc1ccc(CN=c2ncnc3[nH][n-]cc2-3)nc1 ZINC000337571980 385709032 /nfs/dbraw/zinc/70/90/32/385709032.db2.gz AWJLPEKBQRMDBA-UHFFFAOYSA-N -1 3 244.233 0.873 20 0 BCADHM Cc1ccc([O-])c(CN(C)CCC(N)=O)n1 ZINC000289876033 385715931 /nfs/dbraw/zinc/71/59/31/385715931.db2.gz VWYBDUUOXYJOFM-UHFFFAOYSA-N -1 3 223.276 0.403 20 0 BCADHM CC[C@@H](C)OCC(=O)Nc1nnc(OC)[n-]1 ZINC000182982314 385727554 /nfs/dbraw/zinc/72/75/54/385727554.db2.gz BKFZEYFBUWAKQJ-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CC[C@@H](C)OCC(=O)Nc1n[n-]c(OC)n1 ZINC000182982314 385727558 /nfs/dbraw/zinc/72/75/58/385727558.db2.gz BKFZEYFBUWAKQJ-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CC[C@@H](C)OCC(=O)Nc1nc(OC)n[n-]1 ZINC000182982314 385727563 /nfs/dbraw/zinc/72/75/63/385727563.db2.gz BKFZEYFBUWAKQJ-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM Cn1ccnc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000337626971 385729689 /nfs/dbraw/zinc/72/96/89/385729689.db2.gz VQRABFZHKBLWJT-UHFFFAOYSA-N -1 3 229.247 0.072 20 0 BCADHM C[C@]1(CN=c2ncnc3[nH][n-]cc2-3)CCOC1 ZINC000337619637 385729850 /nfs/dbraw/zinc/72/98/50/385729850.db2.gz QFONWOYUVIIKJQ-LLVKDONJSA-N -1 3 233.275 0.565 20 0 BCADHM CN(C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000183213092 385742223 /nfs/dbraw/zinc/74/22/23/385742223.db2.gz OZPJQPAKHBYZJQ-UHFFFAOYSA-N -1 3 226.251 0.935 20 0 BCADHM C[C@H]1CCCN1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000185194477 385722736 /nfs/dbraw/zinc/72/27/36/385722736.db2.gz LVWFEVHWDVZZPM-QMMMGPOBSA-N -1 3 244.320 0.561 20 0 BCADHM C[C@H]1C(=O)N(C)CCN1C(=O)c1cccc([O-])c1 ZINC000186842371 385803780 /nfs/dbraw/zinc/80/37/80/385803780.db2.gz SKUZJNVVLAGZFK-VIFPVBQESA-N -1 3 248.282 0.695 20 0 BCADHM Cc1ccc([O-])c(CN(C)[C@H]2CCN(C)C2=O)n1 ZINC000271213280 385805907 /nfs/dbraw/zinc/80/59/07/385805907.db2.gz VRBTVTLAFCLTEC-NSHDSACASA-N -1 3 249.314 0.758 20 0 BCADHM Cn1cc([N-]S(=O)(=O)CCCCF)cn1 ZINC000294117620 385807896 /nfs/dbraw/zinc/80/78/96/385807896.db2.gz DHJCKXPCDOBVHU-UHFFFAOYSA-N -1 3 235.284 0.912 20 0 BCADHM Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1c[n-]nn1 ZINC000283161541 385813438 /nfs/dbraw/zinc/81/34/38/385813438.db2.gz KARGLQICLNSWJO-QMMMGPOBSA-N -1 3 246.274 0.346 20 0 BCADHM Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cnn[n-]1 ZINC000283161541 385813440 /nfs/dbraw/zinc/81/34/40/385813440.db2.gz KARGLQICLNSWJO-QMMMGPOBSA-N -1 3 246.274 0.346 20 0 BCADHM Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cn[n-]n1 ZINC000283161541 385813442 /nfs/dbraw/zinc/81/34/42/385813442.db2.gz KARGLQICLNSWJO-QMMMGPOBSA-N -1 3 246.274 0.346 20 0 BCADHM C[C@H](CC(N)=O)C(=O)Nc1cc(F)ccc1[O-] ZINC000283405175 385819468 /nfs/dbraw/zinc/81/94/68/385819468.db2.gz LGQMQNYCRMIBQY-ZCFIWIBFSA-N -1 3 240.234 0.981 20 0 BCADHM COC[C@@H]1CCN1C(=O)c1ccc(O)cc1[O-] ZINC000294228656 385826543 /nfs/dbraw/zinc/82/65/43/385826543.db2.gz FPOOIQCGWFREMJ-QMMMGPOBSA-N -1 3 237.255 0.959 20 0 BCADHM C[C@H]1c2cccn2CCN1Cc1nc(=O)[n-][nH]1 ZINC000271650909 385844005 /nfs/dbraw/zinc/84/40/05/385844005.db2.gz VCYPLMKHWDVHMO-QMMMGPOBSA-N -1 3 233.275 0.476 20 0 BCADHM COCCO[N-]C(=O)/C=C\c1ccnn1C ZINC000309071685 533147245 /nfs/dbraw/zinc/14/72/45/533147245.db2.gz LIIWDQGAVZTOEI-ARJAWSKDSA-N -1 3 225.248 0.128 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccnc1 ZINC000284175023 385856269 /nfs/dbraw/zinc/85/62/69/385856269.db2.gz TVIDQRUGTMTIDN-QMMMGPOBSA-N -1 3 230.289 0.858 20 0 BCADHM CC(C)(C)/C=C/C(=O)[N-]OCC(N)=O ZINC000272249666 385888642 /nfs/dbraw/zinc/88/86/42/385888642.db2.gz OVDVAVAZUQGKJO-SNAWJCMRSA-N -1 3 200.238 0.122 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccoc1 ZINC000285184297 385904517 /nfs/dbraw/zinc/90/45/17/385904517.db2.gz RGIIIVOVSDAZBI-LURJTMIESA-N -1 3 233.245 0.119 20 0 BCADHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000342100465 385926985 /nfs/dbraw/zinc/92/69/85/385926985.db2.gz OQKMTUZYBDEIET-SFYZADRCSA-N -1 3 233.289 0.981 20 0 BCADHM CN(CC(N)=O)Cc1c(F)ccc([O-])c1F ZINC000284289068 385859548 /nfs/dbraw/zinc/85/95/48/385859548.db2.gz UFLGPVKPFQIBOS-UHFFFAOYSA-N -1 3 230.214 0.588 20 0 BCADHM CCC1([N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000295191281 385988928 /nfs/dbraw/zinc/98/89/28/385988928.db2.gz DEVCZAGOCVLASG-UHFFFAOYSA-N -1 3 243.332 0.949 20 0 BCADHM Cc1ncc(CNC(=O)c2ccc[nH]2)c(=O)[n-]1 ZINC000345089014 385990820 /nfs/dbraw/zinc/99/08/20/385990820.db2.gz CGOQKTGYAOKJGD-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM C[C@H](Cn1cncn1)NC(=O)c1cccc([O-])c1 ZINC000272854659 385942901 /nfs/dbraw/zinc/94/29/01/385942901.db2.gz SZFNDQGMHYMTTK-SECBINFHSA-N -1 3 246.270 0.802 20 0 BCADHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000342164747 385949448 /nfs/dbraw/zinc/94/94/48/385949448.db2.gz GMMJVPPNJCTLIH-RKDXNWHRSA-N -1 3 244.316 0.783 20 0 BCADHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000342164743 385949938 /nfs/dbraw/zinc/94/99/38/385949938.db2.gz GMMJVPPNJCTLIH-DTWKUNHWSA-N -1 3 244.316 0.783 20 0 BCADHM Cc1ncc(CNC(=O)c2ccn(C)c2)c(=O)[n-]1 ZINC000345096029 385993884 /nfs/dbraw/zinc/99/38/84/385993884.db2.gz PLNMODKJNJWNST-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM C[C@H](CCO)NC(=O)c1c([O-])cccc1O ZINC000220255056 385958977 /nfs/dbraw/zinc/95/89/77/385958977.db2.gz XSWTTYCPMLBJKY-SSDOTTSWSA-N -1 3 225.244 0.599 20 0 BCADHM Cc1ncc(CNC(=O)c2cnn(C)c2)c(=O)[n-]1 ZINC000345109387 385999606 /nfs/dbraw/zinc/99/96/06/385999606.db2.gz ZPBCPAVPVMIUCC-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM Cc1cc(C(=O)NCc2cnc(C)[n-]c2=O)on1 ZINC000345114048 386000199 /nfs/dbraw/zinc/00/01/99/386000199.db2.gz AXSDCCDWMRLGGZ-UHFFFAOYSA-N -1 3 248.242 0.717 20 0 BCADHM Cc1ncc(CNC(=O)c2ccn[nH]2)c(=O)[n-]1 ZINC000345137126 386003901 /nfs/dbraw/zinc/00/39/01/386003901.db2.gz WVBNPIGQZPJWQV-UHFFFAOYSA-N -1 3 233.231 0.144 20 0 BCADHM Cc1ncc(CNC(=O)CC2CC2)c(=O)[n-]1 ZINC000345140354 386006689 /nfs/dbraw/zinc/00/66/89/386006689.db2.gz ZPLYWIQUBNZFQE-UHFFFAOYSA-N -1 3 221.260 0.907 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCCC(=O)N2)n1 ZINC000273494293 386007034 /nfs/dbraw/zinc/00/70/34/386007034.db2.gz NCLPENQHFNNEJF-QMMMGPOBSA-N -1 3 249.270 0.703 20 0 BCADHM Cn1ccc(CN=c2ncnc3[nH][n-]cc2-3)n1 ZINC000345150082 386014305 /nfs/dbraw/zinc/01/43/05/386014305.db2.gz OCGPFPZNYFAAAW-UHFFFAOYSA-N -1 3 229.247 0.072 20 0 BCADHM CCC1([N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000295336588 386014329 /nfs/dbraw/zinc/01/43/29/386014329.db2.gz QPXFGKXBUDXWBL-UHFFFAOYSA-N -1 3 229.305 0.641 20 0 BCADHM COC[C@H](C)C(=O)NCc1cnc(C)[n-]c1=O ZINC000345127150 386031987 /nfs/dbraw/zinc/03/19/87/386031987.db2.gz OCBHFHFCNNYKDW-ZETCQYMHSA-N -1 3 239.275 0.389 20 0 BCADHM Cc1cc(C(=O)N(C)[C@@H]2CCNC2=O)ccc1[O-] ZINC000334963846 386037600 /nfs/dbraw/zinc/03/76/00/386037600.db2.gz RVTCTOUARULKNV-SNVBAGLBSA-N -1 3 248.282 0.661 20 0 BCADHM O=C(c1ccccc1[O-])N1CC(O)(C(F)F)C1 ZINC000335076345 386045209 /nfs/dbraw/zinc/04/52/09/386045209.db2.gz ICARBCJVQHPUET-UHFFFAOYSA-N -1 3 243.209 0.844 20 0 BCADHM COC[C@@H](CO)NC(=O)c1ccccc1[O-] ZINC000234852946 386107860 /nfs/dbraw/zinc/10/78/60/386107860.db2.gz XDBRBNDKGHKXCE-MRVPVSSYSA-N -1 3 225.244 0.129 20 0 BCADHM COC[C@@H](CO)NC(=O)c1ccc([O-])c(C)c1 ZINC000234849293 386109111 /nfs/dbraw/zinc/10/91/11/386109111.db2.gz RJHGYRMZOUWUIL-SNVBAGLBSA-N -1 3 239.271 0.438 20 0 BCADHM CN1CC(=O)N[C@@H]1c1cc([O-])cc(F)c1 ZINC000274546633 386116874 /nfs/dbraw/zinc/11/68/74/386116874.db2.gz VMGYRCVNFHRMRU-JTQLQIEISA-N -1 3 210.208 0.592 20 0 BCADHM CO[C@@H](CC(C)C)C(=O)[N-]c1nncn1C ZINC000415457398 386078218 /nfs/dbraw/zinc/07/82/18/386078218.db2.gz LAQYSFFMLVPGBH-QMMMGPOBSA-N -1 3 226.280 0.815 20 0 BCADHM Cc1nsc(N(C)C[C@@H](C)c2nnn[n-]2)n1 ZINC000274582199 386122966 /nfs/dbraw/zinc/12/29/66/386122966.db2.gz AUUWTAPDLZFTDZ-RXMQYKEDSA-N -1 3 239.308 0.600 20 0 BCADHM Cc1nsc(N(C)C[C@@H](C)c2nn[n-]n2)n1 ZINC000274582199 386122972 /nfs/dbraw/zinc/12/29/72/386122972.db2.gz AUUWTAPDLZFTDZ-RXMQYKEDSA-N -1 3 239.308 0.600 20 0 BCADHM CC[C@H](O)CS(=O)(=O)c1cccc([O-])c1 ZINC000295870623 386098428 /nfs/dbraw/zinc/09/84/28/386098428.db2.gz JUNZUYRUSJTQSK-QMMMGPOBSA-N -1 3 230.285 0.937 20 0 BCADHM COC[C@H](CO)NCc1cc([O-])cc(F)c1 ZINC000234787874 386099347 /nfs/dbraw/zinc/09/93/47/386099347.db2.gz RBOIAZIBLBPMRN-JTQLQIEISA-N -1 3 229.251 0.628 20 0 BCADHM CO[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000408345126 386153467 /nfs/dbraw/zinc/15/34/67/386153467.db2.gz GAGRJMMVAFZERZ-SECBINFHSA-N -1 3 246.270 0.819 20 0 BCADHM COC(=O)[C@H](CF)NC(=O)c1ccccc1[O-] ZINC000288031668 386161386 /nfs/dbraw/zinc/16/13/86/386161386.db2.gz CXQBJXKNCDMPSM-QMMMGPOBSA-N -1 3 241.218 0.633 20 0 BCADHM CO[C@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000263870992 386186005 /nfs/dbraw/zinc/18/60/05/386186005.db2.gz MQYAZULIJUXMLU-SCSAIBSYSA-N -1 3 216.266 0.500 20 0 BCADHM CO[C@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000263870992 386186009 /nfs/dbraw/zinc/18/60/09/386186009.db2.gz MQYAZULIJUXMLU-SCSAIBSYSA-N -1 3 216.266 0.500 20 0 BCADHM CO[C@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000263870992 386186012 /nfs/dbraw/zinc/18/60/12/386186012.db2.gz MQYAZULIJUXMLU-SCSAIBSYSA-N -1 3 216.266 0.500 20 0 BCADHM COc1cc(C(=O)[N-]c2nc(C)no2)nn1C ZINC000274601024 386125555 /nfs/dbraw/zinc/12/55/55/386125555.db2.gz DYCBLVDBSRWKIO-UHFFFAOYSA-N -1 3 237.219 0.372 20 0 BCADHM CC(F)(F)C(=O)[N-]CC(=O)NC1CC1 ZINC000288501018 386210405 /nfs/dbraw/zinc/21/04/05/386210405.db2.gz ICCQSHYMOJKPBM-UHFFFAOYSA-N -1 3 206.192 0.036 20 0 BCADHM C[C@]1([N-]S(=O)(=O)c2ccco2)CCOC1 ZINC000275533824 386219195 /nfs/dbraw/zinc/21/91/95/386219195.db2.gz XWFGJWHIANUMBQ-VIFPVBQESA-N -1 3 231.273 0.737 20 0 BCADHM CC(C)(C)[C@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000275533718 386219204 /nfs/dbraw/zinc/21/92/04/386219204.db2.gz XRTQCHGYFCMFCO-MRVPVSSYSA-N -1 3 247.316 0.965 20 0 BCADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000125099741 386222099 /nfs/dbraw/zinc/22/20/99/386222099.db2.gz IYZKVCBTXQWTGF-BQBZGAKWSA-N -1 3 215.278 0.344 20 0 BCADHM CCCCCCNC(=O)CN1CC(=O)[N-]C1=O ZINC000264650811 386257714 /nfs/dbraw/zinc/25/77/14/386257714.db2.gz GIMBJHKOMBMNBM-UHFFFAOYSA-N -1 3 241.291 0.235 20 0 BCADHM CO[C@@H](C)CC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000263933611 386193833 /nfs/dbraw/zinc/19/38/33/386193833.db2.gz LTZXSFCPJVWJNI-QMMMGPOBSA-N -1 3 247.320 0.123 20 0 BCADHM Cc1ccc([O-])c(CN(C)[C@@H](C)CO)n1 ZINC000289385069 386295344 /nfs/dbraw/zinc/29/53/44/386295344.db2.gz DAQPLVJNJOBHRS-VIFPVBQESA-N -1 3 210.277 0.908 20 0 BCADHM CC[C@H](C[N-]S(=O)(=O)c1cn(C)cn1)OC ZINC000289404261 386299717 /nfs/dbraw/zinc/29/97/17/386299717.db2.gz AIIYXTIEVVVNBT-MRVPVSSYSA-N -1 3 247.320 0.123 20 0 BCADHM C[C@H](O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000276349823 386308759 /nfs/dbraw/zinc/30/87/59/386308759.db2.gz KERARYRCWJOVTL-LURJTMIESA-N -1 3 213.208 0.528 20 0 BCADHM C[C@H](C(=O)[N-]C1=NCCS1)n1cccn1 ZINC000298236821 386310793 /nfs/dbraw/zinc/31/07/93/386310793.db2.gz HULNTAVACQSLOG-SSDOTTSWSA-N -1 3 224.289 0.663 20 0 BCADHM C[C@]1([N-]S(=O)(=O)c2ccoc2)CCOC1=O ZINC000289503779 386319962 /nfs/dbraw/zinc/31/99/62/386319962.db2.gz KEACKBWBFZKRBQ-VIFPVBQESA-N -1 3 245.256 0.264 20 0 BCADHM COc1cc(C(=O)N[C@H](C)CO)ccc1[O-] ZINC000276154113 386278587 /nfs/dbraw/zinc/27/85/87/386278587.db2.gz PIBSSXDGHSUTJZ-SSDOTTSWSA-N -1 3 225.244 0.511 20 0 BCADHM CCCCCNC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000298446482 386346484 /nfs/dbraw/zinc/34/64/84/386346484.db2.gz SZKYDANWKWHMJH-UHFFFAOYSA-N -1 3 239.275 0.406 20 0 BCADHM Cc1ccc([O-])c(CN[C@]2(C)CCOC2=O)n1 ZINC000289801757 386358058 /nfs/dbraw/zinc/35/80/58/386358058.db2.gz MFVMVXQFFYXLBY-GFCCVEGCSA-N -1 3 236.271 0.891 20 0 BCADHM CC(=O)N1CC(C(=O)Nc2nc(C)ccc2[O-])C1 ZINC000276677380 386362653 /nfs/dbraw/zinc/36/26/53/386362653.db2.gz VSMZPLZZMRICFY-UHFFFAOYSA-N -1 3 249.270 0.512 20 0 BCADHM Cn1cc(C(=O)NC(C)(C)C)c(=O)[n-]c1=O ZINC000298613901 386362863 /nfs/dbraw/zinc/36/28/63/386362863.db2.gz SUSXVHJFLXPXCY-UHFFFAOYSA-N -1 3 225.248 0.014 20 0 BCADHM Cc1cc(C(=O)N[C@H](C)C(N)=O)ccc1[O-] ZINC000227015350 386446893 /nfs/dbraw/zinc/44/68/93/386446893.db2.gz TZZXOWRHSVRYOG-SSDOTTSWSA-N -1 3 222.244 0.304 20 0 BCADHM COc1ccccc1CNC(=O)c1c[n-]nn1 ZINC000048889212 386451909 /nfs/dbraw/zinc/45/19/09/386451909.db2.gz QJPYTRIDMALIKA-UHFFFAOYSA-N -1 3 232.243 0.743 20 0 BCADHM COc1ccccc1CNC(=O)c1cnn[n-]1 ZINC000048889212 386451913 /nfs/dbraw/zinc/45/19/13/386451913.db2.gz QJPYTRIDMALIKA-UHFFFAOYSA-N -1 3 232.243 0.743 20 0 BCADHM COc1ccccc1CNC(=O)c1cn[n-]n1 ZINC000048889212 386451917 /nfs/dbraw/zinc/45/19/17/386451917.db2.gz QJPYTRIDMALIKA-UHFFFAOYSA-N -1 3 232.243 0.743 20 0 BCADHM CCN(CC)CC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000519400815 386431029 /nfs/dbraw/zinc/43/10/29/386431029.db2.gz QTLYMYHTMDFSLU-SECBINFHSA-N -1 3 230.308 0.507 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)CC1CCC1 ZINC000347471115 386433998 /nfs/dbraw/zinc/43/39/98/386433998.db2.gz XDRGDDMGAOAYDG-UHFFFAOYSA-N -1 3 210.281 0.340 20 0 BCADHM CCO[N-]C(=O)CCSc1n[nH]c(C)n1 ZINC000266775820 386467443 /nfs/dbraw/zinc/46/74/43/386467443.db2.gz BKXDGIWOCKONNO-UHFFFAOYSA-N -1 3 230.293 0.663 20 0 BCADHM CC[C@@H](COC)Nc1nc2nncc-2c(O)[n-]1 ZINC000290754437 386473676 /nfs/dbraw/zinc/47/36/76/386473676.db2.gz JERCXPQGBKBXOH-LURJTMIESA-N -1 3 237.263 0.895 20 0 BCADHM CO[N-]C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000267128920 386497564 /nfs/dbraw/zinc/49/75/64/386497564.db2.gz GYODGOXPHMVIEF-UHFFFAOYSA-N -1 3 238.243 0.232 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cn(C)nc1C1CC1 ZINC000291262293 386529736 /nfs/dbraw/zinc/52/97/36/386529736.db2.gz YVBLFCKCRHEDBB-UHFFFAOYSA-N -1 3 244.320 0.516 20 0 BCADHM CNc1nc(C)cc(C(=O)[N-]c2nc(C)no2)n1 ZINC000287010029 386522604 /nfs/dbraw/zinc/52/26/04/386522604.db2.gz CTWUAGUXDRNXNQ-UHFFFAOYSA-N -1 3 248.246 0.770 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CC2CCCC2)n1 ZINC000335451331 386524428 /nfs/dbraw/zinc/52/44/28/386524428.db2.gz BVMJQPVXLNWXNG-UHFFFAOYSA-N -1 3 243.332 0.889 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1cn[nH]c1 ZINC000339706332 386525630 /nfs/dbraw/zinc/52/56/30/386525630.db2.gz REBBFTRUNRZFJC-ZCFIWIBFSA-N -1 3 229.247 0.623 20 0 BCADHM CO[C@@H](C)[C@@H](C)Nc1nc2nncc-2c(O)[n-]1 ZINC000290617384 386459915 /nfs/dbraw/zinc/45/99/15/386459915.db2.gz GCDVMOGDIHANMB-RITPCOANSA-N -1 3 237.263 0.894 20 0 BCADHM O=S(=O)([N-][C@H]1CCC[C@H](F)C1)c1c[nH]cn1 ZINC000335417016 386583744 /nfs/dbraw/zinc/58/37/44/386583744.db2.gz ILXJXXWHPGZVAH-YUMQZZPRSA-N -1 3 247.295 0.969 20 0 BCADHM Cc1ccc([O-])c(NC(=O)c2cnnn2C)n1 ZINC000337074333 386591870 /nfs/dbraw/zinc/59/18/70/386591870.db2.gz ZUZYECNYRHORRF-UHFFFAOYSA-N -1 3 233.231 0.476 20 0 BCADHM CS[C@@H](C)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267867793 386592640 /nfs/dbraw/zinc/59/26/40/386592640.db2.gz UTQZTXWLUBNGSC-YFKPBYRVSA-N -1 3 243.288 0.886 20 0 BCADHM C[C@H](O)CCC[N-]S(=O)(=O)c1ccco1 ZINC000278867746 386595518 /nfs/dbraw/zinc/59/55/18/386595518.db2.gz YIIMCRWAPUVDEZ-QMMMGPOBSA-N -1 3 233.289 0.719 20 0 BCADHM C[C@]1(NC(=O)c2ccccc2[O-])CCOC1=O ZINC000291367334 386536999 /nfs/dbraw/zinc/53/69/99/386536999.db2.gz CMIPFOAYOJKGKK-LBPRGKRZSA-N -1 3 235.239 0.828 20 0 BCADHM CCC[C@H](C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000291382980 386538102 /nfs/dbraw/zinc/53/81/02/386538102.db2.gz BJYXUXTYQTXPKE-YFKPBYRVSA-N -1 3 225.252 0.278 20 0 BCADHM CCC[C@H](C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000291382980 386538108 /nfs/dbraw/zinc/53/81/08/386538108.db2.gz BJYXUXTYQTXPKE-YFKPBYRVSA-N -1 3 225.252 0.278 20 0 BCADHM CCC[C@H](C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000291382980 386538114 /nfs/dbraw/zinc/53/81/14/386538114.db2.gz BJYXUXTYQTXPKE-YFKPBYRVSA-N -1 3 225.252 0.278 20 0 BCADHM CSc1nnc(NC(=O)[C@@H](O)C(C)C)[n-]1 ZINC000291450818 386544826 /nfs/dbraw/zinc/54/48/26/386544826.db2.gz HBVHEXBMQIOYAG-YFKPBYRVSA-N -1 3 230.293 0.482 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H](O)C(C)C)n1 ZINC000291450818 386544829 /nfs/dbraw/zinc/54/48/29/386544829.db2.gz HBVHEXBMQIOYAG-YFKPBYRVSA-N -1 3 230.293 0.482 20 0 BCADHM CSc1nc(NC(=O)[C@@H](O)C(C)C)n[n-]1 ZINC000291450818 386544834 /nfs/dbraw/zinc/54/48/34/386544834.db2.gz HBVHEXBMQIOYAG-YFKPBYRVSA-N -1 3 230.293 0.482 20 0 BCADHM CCC[C@@H](C(=O)N[C@H](CC)C(=O)[O-])N(C)C ZINC000519776450 386554733 /nfs/dbraw/zinc/55/47/33/386554733.db2.gz OXBVYWUXEFIWNT-BDAKNGLRSA-N -1 3 230.308 0.696 20 0 BCADHM C[C@H]1C[C@H](O)C[N@@H+]1Cc1ncccc1[O-] ZINC000519793689 386558097 /nfs/dbraw/zinc/55/80/97/386558097.db2.gz RJAGLKBVDSTKGC-IUCAKERBSA-N -1 3 208.261 0.742 20 0 BCADHM C[C@H]1C[C@H](O)CN1Cc1ncccc1[O-] ZINC000519793689 386558104 /nfs/dbraw/zinc/55/81/04/386558104.db2.gz RJAGLKBVDSTKGC-IUCAKERBSA-N -1 3 208.261 0.742 20 0 BCADHM O=S(=O)([N-]C1CCC1)c1cscn1 ZINC000335405963 386563556 /nfs/dbraw/zinc/56/35/56/386563556.db2.gz CEQYBVOCEWTFBP-UHFFFAOYSA-N -1 3 218.303 0.974 20 0 BCADHM CC[C@@H]1CN(C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000644938536 386625520 /nfs/dbraw/zinc/62/55/20/386625520.db2.gz KTANWXAZJSJCQY-MRVPVSSYSA-N -1 3 225.296 0.036 20 0 BCADHM CC[C@H]1CN(C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000644938537 386625956 /nfs/dbraw/zinc/62/59/56/386625956.db2.gz KTANWXAZJSJCQY-QMMMGPOBSA-N -1 3 225.296 0.036 20 0 BCADHM CO[N-]C(=O)Cc1cc(F)cc2c1OCOC2 ZINC000279089042 386630325 /nfs/dbraw/zinc/63/03/25/386630325.db2.gz AAWIRWHKESKJKQ-UHFFFAOYSA-N -1 3 241.218 0.912 20 0 BCADHM CC[C@H](C)C[C@@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000645356113 386656152 /nfs/dbraw/zinc/65/61/52/386656152.db2.gz RNZIVCVXBHWBAE-IUCAKERBSA-N -1 3 249.318 0.935 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OC/C=C/Cl ZINC000291925871 386599708 /nfs/dbraw/zinc/59/97/08/386599708.db2.gz USWLRXURNVIIEC-AJFYLEMGSA-N -1 3 233.651 0.596 20 0 BCADHM COC(=O)[C@H]1C[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000291925872 386600232 /nfs/dbraw/zinc/60/02/32/386600232.db2.gz USWLRXURNVIIEC-DIZYNNQWSA-N -1 3 233.651 0.596 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2CCSC2)n1 ZINC000335487807 386603323 /nfs/dbraw/zinc/60/33/23/386603323.db2.gz WXQGGJWHROEQPK-SSDOTTSWSA-N -1 3 247.345 0.204 20 0 BCADHM COCc1nc(S[C@@H](C)C(=O)OC)n[n-]1 ZINC000268480757 386655080 /nfs/dbraw/zinc/65/50/80/386655080.db2.gz KVZUZGKRXZLCAN-YFKPBYRVSA-N -1 3 231.277 0.605 20 0 BCADHM Cc1cc(C(=O)N[C@H]2C[C@@H]2C)[n-]c(=O)n1 ZINC000268600202 386669084 /nfs/dbraw/zinc/66/90/84/386669084.db2.gz ALFJVVBKXQDTJU-FSPLSTOPSA-N -1 3 207.233 0.629 20 0 BCADHM Cc1cc(C(=O)NC[C@H]2C[C@H]2C)[n-]c(=O)n1 ZINC000268654874 386676269 /nfs/dbraw/zinc/67/62/69/386676269.db2.gz PKABQAWFBLUPEU-HTRCEHHLSA-N -1 3 221.260 0.876 20 0 BCADHM COc1cc(NC([O-])=NOCC2CC2)ncn1 ZINC000292557550 386688099 /nfs/dbraw/zinc/68/80/99/386688099.db2.gz BLGAXGLQMDLVLD-UHFFFAOYSA-N -1 3 238.247 0.948 20 0 BCADHM COc1cc(NC(=O)[N-]OCC2CC2)ncn1 ZINC000292557550 386688107 /nfs/dbraw/zinc/68/81/07/386688107.db2.gz BLGAXGLQMDLVLD-UHFFFAOYSA-N -1 3 238.247 0.948 20 0 BCADHM Cc1cc(C(=O)N2CC[C@H](C)C2)[n-]c(=O)n1 ZINC000268893657 386713447 /nfs/dbraw/zinc/71/34/47/386713447.db2.gz SUZQKBVBLBVFKP-ZETCQYMHSA-N -1 3 221.260 0.973 20 0 BCADHM CC(C)C1([N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000292721066 386715720 /nfs/dbraw/zinc/71/57/20/386715720.db2.gz AQKMTNSHBLAJPY-UHFFFAOYSA-N -1 3 243.332 0.887 20 0 BCADHM CO[C@H]1CCC[C@H]1CN=c1ncnc2[nH][n-]cc1-2 ZINC000340762791 386769567 /nfs/dbraw/zinc/76/95/67/386769567.db2.gz ZQLOWLPKVSBFSO-WPRPVWTQSA-N -1 3 247.302 0.953 20 0 BCADHM CO[C@H]1CCC[C@@H]1CN=c1ncnc2[nH][n-]cc1-2 ZINC000340762789 386770016 /nfs/dbraw/zinc/77/00/16/386770016.db2.gz ZQLOWLPKVSBFSO-SCZZXKLOSA-N -1 3 247.302 0.953 20 0 BCADHM C[C@H](CN(C)C)[N-]S(=O)(=O)c1ccccn1 ZINC000344887051 386790615 /nfs/dbraw/zinc/79/06/15/386790615.db2.gz PWXGXYXBTUZWIO-SECBINFHSA-N -1 3 243.332 0.310 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC[C@H](CO)C2)n1 ZINC000269433141 386793456 /nfs/dbraw/zinc/79/34/56/386793456.db2.gz LVARDYQIBGVCEK-VIFPVBQESA-N -1 3 237.303 0.559 20 0 BCADHM CSc1cc(CNC(=O)c2c[n-]nn2)ccn1 ZINC000357509632 386795521 /nfs/dbraw/zinc/79/55/21/386795521.db2.gz IZKVGMKGPRTGDW-UHFFFAOYSA-N -1 3 249.299 0.852 20 0 BCADHM CSc1cc(CNC(=O)c2cnn[n-]2)ccn1 ZINC000357509632 386795529 /nfs/dbraw/zinc/79/55/29/386795529.db2.gz IZKVGMKGPRTGDW-UHFFFAOYSA-N -1 3 249.299 0.852 20 0 BCADHM CSc1cc(CNC(=O)c2cn[n-]n2)ccn1 ZINC000357509632 386795536 /nfs/dbraw/zinc/79/55/36/386795536.db2.gz IZKVGMKGPRTGDW-UHFFFAOYSA-N -1 3 249.299 0.852 20 0 BCADHM CC(F)(F)C(=O)[N-][C@@H](C(N)=O)c1ccccc1 ZINC000293096356 386776918 /nfs/dbraw/zinc/77/69/18/386776918.db2.gz PDXYSUJNWGMYTM-MRVPVSSYSA-N -1 3 242.225 0.984 20 0 BCADHM CSCCO[N-]C(=O)CCc1ccncn1 ZINC000280154226 386783877 /nfs/dbraw/zinc/78/38/77/386783877.db2.gz YBIDCENMUYZNAF-UHFFFAOYSA-N -1 3 241.316 0.820 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCC(=O)N2)n1 ZINC000280156604 386785440 /nfs/dbraw/zinc/78/54/40/386785440.db2.gz REUAJVONKKNBSU-SSDOTTSWSA-N -1 3 235.243 0.313 20 0 BCADHM Cn1nc2c(c1NC(=O)c1nnc[n-]1)CCC2 ZINC000269409988 386788250 /nfs/dbraw/zinc/78/82/50/386788250.db2.gz DRXUNZQNOPFYKW-UHFFFAOYSA-N -1 3 232.247 0.279 20 0 BCADHM Cn1nc2c(c1NC(=O)c1nc[n-]n1)CCC2 ZINC000269409988 386788259 /nfs/dbraw/zinc/78/82/59/386788259.db2.gz DRXUNZQNOPFYKW-UHFFFAOYSA-N -1 3 232.247 0.279 20 0 BCADHM O=C(c1csc(=O)[n-]1)N(CCO)C1CCC1 ZINC000329934366 386816303 /nfs/dbraw/zinc/81/63/03/386816303.db2.gz QMPFVCFWQWAKHM-UHFFFAOYSA-N -1 3 242.300 0.836 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCO)o1 ZINC000330661497 386817540 /nfs/dbraw/zinc/81/75/40/386817540.db2.gz STFSFDIAHRJJML-ZETCQYMHSA-N -1 3 233.289 0.637 20 0 BCADHM CCCc1nccn1Cc1nc(=O)n(C)[n-]1 ZINC000329778238 386803437 /nfs/dbraw/zinc/80/34/37/386803437.db2.gz KZZYSVRQUMSHQY-UHFFFAOYSA-N -1 3 221.264 0.306 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])CCO1 ZINC000192948880 386803732 /nfs/dbraw/zinc/80/37/32/386803732.db2.gz XNAKGIXTCBXTOE-MRVPVSSYSA-N -1 3 237.255 0.959 20 0 BCADHM CN(C[C@@H]1CCOC1)c1nc2nncc-2c(O)[n-]1 ZINC000330095478 386829202 /nfs/dbraw/zinc/82/92/02/386829202.db2.gz VOAPFTUROORZPS-ZETCQYMHSA-N -1 3 249.274 0.531 20 0 BCADHM C[C@H]1[C@H](C)N(Cc2n[nH]c(=O)[n-]2)CCN1C ZINC000341134799 386845962 /nfs/dbraw/zinc/84/59/62/386845962.db2.gz YETQOLBDGGOQJT-YUMQZZPRSA-N -1 3 225.296 0.035 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C2(C(N)=O)CC2)o1 ZINC000331416464 386851115 /nfs/dbraw/zinc/85/11/15/386851115.db2.gz ALGDDVDIIICAHE-UHFFFAOYSA-N -1 3 244.272 0.934 20 0 BCADHM O=C(/C=C/c1cnccn1)[N-]OCC1CC1 ZINC000293673897 386858866 /nfs/dbraw/zinc/85/88/66/386858866.db2.gz AHHTZXVPBCKPES-ONEGZZNKSA-N -1 3 219.244 0.948 20 0 BCADHM COc1cc(C(=O)[N-]c2cncnc2)on1 ZINC000341303455 386889440 /nfs/dbraw/zinc/88/94/40/386889440.db2.gz PLVDLWOQLHDOSC-UHFFFAOYSA-N -1 3 220.188 0.726 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)[C@H](CC)CO)n1 ZINC000293882270 386895641 /nfs/dbraw/zinc/89/56/41/386895641.db2.gz MDOVYSUBVYTZNN-SNVBAGLBSA-N -1 3 239.319 0.947 20 0 BCADHM O=S(=O)([N-]CCCCO)c1ccco1 ZINC000341579888 386925252 /nfs/dbraw/zinc/92/52/52/386925252.db2.gz ZEOCIVIQBYTJHN-UHFFFAOYSA-N -1 3 219.262 0.330 20 0 BCADHM C[C@@H](CF)NC(=O)NCc1ncccc1[O-] ZINC000341582025 386926482 /nfs/dbraw/zinc/92/64/82/386926482.db2.gz LDJICEGSFKCJLZ-ZETCQYMHSA-N -1 3 227.239 0.944 20 0 BCADHM CO[C@@H](C)C(=O)NCc1ncccc1[O-] ZINC000331028538 386936399 /nfs/dbraw/zinc/93/63/99/386936399.db2.gz WXEBWYIJFCECIF-ZETCQYMHSA-N -1 3 210.233 0.438 20 0 BCADHM C[C@H]1OCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000331011164 386944557 /nfs/dbraw/zinc/94/45/57/386944557.db2.gz JGQTYPVDIHXKBN-BDAKNGLRSA-N -1 3 236.271 0.828 20 0 BCADHM Cc1csc(S(=O)(=O)[N-]C[C@H](C)O)c1 ZINC000334817746 386945973 /nfs/dbraw/zinc/94/59/73/386945973.db2.gz INFGLTMLTFPOEA-ZETCQYMHSA-N -1 3 235.330 0.716 20 0 BCADHM CC(C)[C@@](C)(O)C(=O)NCc1ncccc1[O-] ZINC000331031483 386958072 /nfs/dbraw/zinc/95/80/72/386958072.db2.gz ZVTBZOXIGKWWNI-GFCCVEGCSA-N -1 3 238.287 0.810 20 0 BCADHM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000334902311 386976334 /nfs/dbraw/zinc/97/63/34/386976334.db2.gz VEZUDHQALGVWDC-OTSSQURYSA-N -1 3 247.341 0.940 20 0 BCADHM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2ccccn2)C1 ZINC000332464281 386982144 /nfs/dbraw/zinc/98/21/44/386982144.db2.gz QMJSUJBWODGCCX-WAAGHKOSSA-N -1 3 242.300 0.273 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]Cc1ncc(C)o1 ZINC000331186091 386985087 /nfs/dbraw/zinc/98/50/87/386985087.db2.gz NJHQGXQKOXLKFI-QMMMGPOBSA-N -1 3 248.304 0.437 20 0 BCADHM CCN(C)CCNC(=O)c1ncc(C)cc1[O-] ZINC000358603927 386986525 /nfs/dbraw/zinc/98/65/25/386986525.db2.gz RTOAAQDGPIGEBL-UHFFFAOYSA-N -1 3 237.303 0.777 20 0 BCADHM CC[C@H](O)CCNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000358640414 386992129 /nfs/dbraw/zinc/99/21/29/386992129.db2.gz MURKQKSNTBBEQO-QMMMGPOBSA-N -1 3 239.275 0.381 20 0 BCADHM C[C@@H]1CN(C(=O)C(=O)[O-])CCN(C2CCC2)C1 ZINC000519058588 386995220 /nfs/dbraw/zinc/99/52/20/386995220.db2.gz BGFHRAJTNZSVLC-VIFPVBQESA-N -1 3 240.303 0.404 20 0 BCADHM CCN(C)C(=O)[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000353057906 387035154 /nfs/dbraw/zinc/03/51/54/387035154.db2.gz XEXIFZRNMBESER-SSDOTTSWSA-N -1 3 248.290 0.005 20 0 BCADHM Cc1c([C@H](C)NC(=O)c2c[n-]nn2)cnn1C ZINC000108454089 387041060 /nfs/dbraw/zinc/04/10/60/387041060.db2.gz RSRGJQAIOUOKND-LURJTMIESA-N -1 3 234.263 0.338 20 0 BCADHM Cc1c([C@H](C)NC(=O)c2cnn[n-]2)cnn1C ZINC000108454089 387041065 /nfs/dbraw/zinc/04/10/65/387041065.db2.gz RSRGJQAIOUOKND-LURJTMIESA-N -1 3 234.263 0.338 20 0 BCADHM Cc1c([C@H](C)NC(=O)c2cn[n-]n2)cnn1C ZINC000108454089 387041069 /nfs/dbraw/zinc/04/10/69/387041069.db2.gz RSRGJQAIOUOKND-LURJTMIESA-N -1 3 234.263 0.338 20 0 BCADHM O=S(=O)([N-][C@H]1CNCCC1(F)F)C1CC1 ZINC000334968038 387050468 /nfs/dbraw/zinc/05/04/68/387050468.db2.gz NNUHONAZNDHEJK-ZETCQYMHSA-N -1 3 240.275 0.065 20 0 BCADHM O=S(=O)([N-]C1CNC1)c1sccc1F ZINC000334967795 387050856 /nfs/dbraw/zinc/05/08/56/387050856.db2.gz JXXBPLOJXPUAGM-UHFFFAOYSA-N -1 3 236.293 0.137 20 0 BCADHM COC[C@@H](C)CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000359108086 387055857 /nfs/dbraw/zinc/05/58/57/387055857.db2.gz YGNQBTODUXHMHJ-ZETCQYMHSA-N -1 3 239.275 0.503 20 0 BCADHM C[C@H](C[C@H](C)O)NC(=O)c1ccc2n[n-]nc2c1 ZINC000228189251 387069772 /nfs/dbraw/zinc/06/97/72/387069772.db2.gz KVDKTLXPBOLBNM-SFYZADRCSA-N -1 3 248.286 0.847 20 0 BCADHM CC(=O)N[C@@H]1CCN(Cc2nc(C)ccc2[O-])C1 ZINC000228356952 387083665 /nfs/dbraw/zinc/08/36/65/387083665.db2.gz QQCFTVPHPTVAMJ-LLVKDONJSA-N -1 3 249.314 0.806 20 0 BCADHM C[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000336317984 387143411 /nfs/dbraw/zinc/14/34/11/387143411.db2.gz KFRLTUSRBDCFJB-UHFFFAOYSA-N -1 3 247.247 0.520 20 0 BCADHM CSCC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000353477640 387209621 /nfs/dbraw/zinc/20/96/21/387209621.db2.gz KGVBNJUIXCTVON-MRVPVSSYSA-N -1 3 244.364 0.682 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2CCC(=O)C2)[n-]1 ZINC000572163001 387253614 /nfs/dbraw/zinc/25/36/14/387253614.db2.gz PUSCNJGBFJSZCH-YFKPBYRVSA-N -1 3 240.288 0.834 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2CCC(=O)C2)n1 ZINC000572163001 387253618 /nfs/dbraw/zinc/25/36/18/387253618.db2.gz PUSCNJGBFJSZCH-YFKPBYRVSA-N -1 3 240.288 0.834 20 0 BCADHM CSc1nc(NC(=O)[C@H]2CCC(=O)C2)n[n-]1 ZINC000572163001 387253620 /nfs/dbraw/zinc/25/36/20/387253620.db2.gz PUSCNJGBFJSZCH-YFKPBYRVSA-N -1 3 240.288 0.834 20 0 BCADHM CC(C)(O)CCC(=O)NCc1ncccc1[O-] ZINC000525948497 387311161 /nfs/dbraw/zinc/31/11/61/387311161.db2.gz FADVNZIYCWUARS-UHFFFAOYSA-N -1 3 238.287 0.955 20 0 BCADHM Cn1cnc(C(=O)NCc2ncccc2[O-])c1 ZINC000352498588 387264966 /nfs/dbraw/zinc/26/49/66/387264966.db2.gz BVWVFQYHXKLQIO-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM COCc1nc(S[C@H](C(N)=O)C(C)C)n[n-]1 ZINC000353815675 387276678 /nfs/dbraw/zinc/27/66/78/387276678.db2.gz NPTAQEBZIGPNKL-ZETCQYMHSA-N -1 3 244.320 0.553 20 0 BCADHM CC(C)[C@@H](O)CC(=O)NCc1ncccc1[O-] ZINC000352516644 387285406 /nfs/dbraw/zinc/28/54/06/387285406.db2.gz MNBUDVYFQXKYTM-NSHDSACASA-N -1 3 238.287 0.810 20 0 BCADHM CCC[C@@](C)(O)C(=O)NCc1ncccc1[O-] ZINC000352518140 387285545 /nfs/dbraw/zinc/28/55/45/387285545.db2.gz VGNSYNNQBPLBOA-GFCCVEGCSA-N -1 3 238.287 0.955 20 0 BCADHM Cc1cc(C(=O)NCc2ncccc2[O-])[nH]n1 ZINC000352518032 387286435 /nfs/dbraw/zinc/28/64/35/387286435.db2.gz URHRHCUDALRLFI-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM C[C@@H]1C[C@H](C)N1C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000525940511 387299871 /nfs/dbraw/zinc/29/98/71/387299871.db2.gz XBIAKUWWSZTTCS-KNVOCYPGSA-N -1 3 237.259 0.109 20 0 BCADHM O=S(=O)([N-][C@@H]1CCOC1)c1ccco1 ZINC000188783884 387301353 /nfs/dbraw/zinc/30/13/53/387301353.db2.gz CBILJUYEIGLEEZ-SSDOTTSWSA-N -1 3 217.246 0.347 20 0 BCADHM COC(C)(C)C[N-]S(=O)(=O)Cc1ccon1 ZINC000360888424 387363259 /nfs/dbraw/zinc/36/32/59/387363259.db2.gz MULJZZCMXXWDIO-UHFFFAOYSA-N -1 3 248.304 0.519 20 0 BCADHM Cc1cc(C(=O)NC(C)(C)CF)[n-]c(=O)n1 ZINC000354486954 387382718 /nfs/dbraw/zinc/38/27/18/387382718.db2.gz YZBXDQNPTAWXIX-UHFFFAOYSA-N -1 3 227.239 0.969 20 0 BCADHM COC[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000354971449 387456271 /nfs/dbraw/zinc/45/62/71/387456271.db2.gz ICBIQUPEKFRBEJ-SSDOTTSWSA-N -1 3 234.259 0.723 20 0 BCADHM C[C@@]1(F)CCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354561723 387395974 /nfs/dbraw/zinc/39/59/74/387395974.db2.gz GAPLUOYGPCKOKH-SNVBAGLBSA-N -1 3 236.254 0.655 20 0 BCADHM Cc1ccc(NC(=O)[C@@H]2CNCCO2)c([O-])c1 ZINC000423702654 387400748 /nfs/dbraw/zinc/40/07/48/387400748.db2.gz ACVFVTFYOMYWTM-NSHDSACASA-N -1 3 236.271 0.628 20 0 BCADHM Cc1n[nH]cc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000352788800 387483956 /nfs/dbraw/zinc/48/39/56/387483956.db2.gz LPTIPXXVTBSEHZ-UHFFFAOYSA-N -1 3 229.247 0.370 20 0 BCADHM C[C@@H](CCO)[N-]S(=O)(=O)c1ccccn1 ZINC000305636912 387621364 /nfs/dbraw/zinc/62/13/64/387621364.db2.gz BBCLCISFNQECBW-QMMMGPOBSA-N -1 3 230.289 0.131 20 0 BCADHM CCC[C@@H](O)C[N-]S(=O)(=O)c1ccccn1 ZINC000305678836 387624602 /nfs/dbraw/zinc/62/46/02/387624602.db2.gz KEDVHESOZKOSGF-SECBINFHSA-N -1 3 244.316 0.521 20 0 BCADHM CCc1ccc([O-])c(C(=O)N2CC(O)C2)c1 ZINC000305670037 387625258 /nfs/dbraw/zinc/62/52/58/387625258.db2.gz WKJQREVNCJGCPO-UHFFFAOYSA-N -1 3 221.256 0.771 20 0 BCADHM Cn1ncc2c1ncc(C(=O)N1CCCC1)c2[O-] ZINC000355705512 387570172 /nfs/dbraw/zinc/57/01/72/387570172.db2.gz UJTCNKIRTIGECA-UHFFFAOYSA-N -1 3 246.270 0.910 20 0 BCADHM COc1ccc([O-])c(C(=O)N(C)CCCO)c1 ZINC000281751601 387571733 /nfs/dbraw/zinc/57/17/33/387571733.db2.gz JHNLNYYTACLTMI-UHFFFAOYSA-N -1 3 239.271 0.855 20 0 BCADHM CSCCO[N-]C(=O)CCC(C)=O ZINC000280852142 387571901 /nfs/dbraw/zinc/57/19/01/387571901.db2.gz WTMSQMAOEMVBOS-UHFFFAOYSA-N -1 3 205.279 0.766 20 0 BCADHM CN(C)Cc1ccccc1C(=O)Nc1nnn[n-]1 ZINC000362805690 387660798 /nfs/dbraw/zinc/66/07/98/387660798.db2.gz MQRPXTZMRYUGGH-UHFFFAOYSA-N -1 3 246.274 0.514 20 0 BCADHM CN(C)Cc1ccccc1C(=O)Nc1nn[n-]n1 ZINC000362805690 387660799 /nfs/dbraw/zinc/66/07/99/387660799.db2.gz MQRPXTZMRYUGGH-UHFFFAOYSA-N -1 3 246.274 0.514 20 0 BCADHM CC[C@@H](CO)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000044261575 387677008 /nfs/dbraw/zinc/67/70/08/387677008.db2.gz OOGNMLPMCBXFSD-QMMMGPOBSA-N -1 3 248.279 0.270 20 0 BCADHM Cc1cn2ccnc(C(=O)[N-]c3nc[nH]n3)c2n1 ZINC000431475959 387711298 /nfs/dbraw/zinc/71/12/98/387711298.db2.gz HCQDGFFEADELDX-UHFFFAOYSA-N -1 3 243.230 0.408 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@H](O)Cc1ccccc1 ZINC000356756527 387714627 /nfs/dbraw/zinc/71/46/27/387714627.db2.gz JHYUUXMZYGPJGN-SNVBAGLBSA-N -1 3 246.270 0.357 20 0 BCADHM CCOc1nc2cc(C(=O)NCCO)ccc2[n-]1 ZINC000431619823 387722507 /nfs/dbraw/zinc/72/25/07/387722507.db2.gz IYZUTVHUZVQMEP-UHFFFAOYSA-N -1 3 249.270 0.684 20 0 BCADHM CCOc1nc2ccc(C(=O)NCCO)cc2[n-]1 ZINC000431619823 387722511 /nfs/dbraw/zinc/72/25/11/387722511.db2.gz IYZUTVHUZVQMEP-UHFFFAOYSA-N -1 3 249.270 0.684 20 0 BCADHM COCCNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000431656193 387725660 /nfs/dbraw/zinc/72/56/60/387725660.db2.gz VVQHHZDAVMSKCE-UHFFFAOYSA-N -1 3 238.222 0.473 20 0 BCADHM COCCNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000431656193 387725666 /nfs/dbraw/zinc/72/56/66/387725666.db2.gz VVQHHZDAVMSKCE-UHFFFAOYSA-N -1 3 238.222 0.473 20 0 BCADHM COCCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000431656193 387725670 /nfs/dbraw/zinc/72/56/70/387725670.db2.gz VVQHHZDAVMSKCE-UHFFFAOYSA-N -1 3 238.222 0.473 20 0 BCADHM COC(=O)c1ccc(C(=O)Nc2cc[nH]n2)[n-]1 ZINC000433103831 387866573 /nfs/dbraw/zinc/86/65/73/387866573.db2.gz MISCCOHLSADBEH-UHFFFAOYSA-N -1 3 234.215 0.777 20 0 BCADHM O=S(=O)([N-][C@@H]1CCOC1)c1cscn1 ZINC000645628437 387912281 /nfs/dbraw/zinc/91/22/81/387912281.db2.gz UYGKKDQNCJOIQL-ZCFIWIBFSA-N -1 3 234.302 0.210 20 0 BCADHM CCc1ccc([O-])c(C(=O)NCC(=O)NC)c1 ZINC000195436634 387916442 /nfs/dbraw/zinc/91/64/42/387916442.db2.gz UZLYSEYSXIDNND-UHFFFAOYSA-N -1 3 236.271 0.430 20 0 BCADHM C[C@]1(O)CCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000177361228 387917106 /nfs/dbraw/zinc/91/71/06/387917106.db2.gz QVZCQPFELBSCOK-LBPRGKRZSA-N -1 3 246.270 0.555 20 0 BCADHM Cc1nc2ccc(NC(=O)c3cnn[n-]3)cn2n1 ZINC000438760359 387953572 /nfs/dbraw/zinc/95/35/72/387953572.db2.gz LBHJQNXMKSFNSN-UHFFFAOYSA-N -1 3 243.230 0.408 20 0 BCADHM Cc1nc2ccc(NC(=O)c3c[n-]nn3)cn2n1 ZINC000438760359 387953574 /nfs/dbraw/zinc/95/35/74/387953574.db2.gz LBHJQNXMKSFNSN-UHFFFAOYSA-N -1 3 243.230 0.408 20 0 BCADHM Cc1nc2ccc(NC(=O)c3cn[n-]n3)cn2n1 ZINC000438760359 387953578 /nfs/dbraw/zinc/95/35/78/387953578.db2.gz LBHJQNXMKSFNSN-UHFFFAOYSA-N -1 3 243.230 0.408 20 0 BCADHM Cc1ccc(NC(=O)CNC(N)=O)c([O-])c1 ZINC000243431233 387938760 /nfs/dbraw/zinc/93/87/60/387938760.db2.gz MZIFCAYKLGNBAX-UHFFFAOYSA-N -1 3 223.232 0.307 20 0 BCADHM CCCN(C)CC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424229378 387940202 /nfs/dbraw/zinc/94/02/02/387940202.db2.gz JZRSITRKNCTPPK-UHFFFAOYSA-N -1 3 244.335 0.945 20 0 BCADHM O=C(NC[C@@H]1CCCSC1)c1c[n-]nn1 ZINC000288233204 387940475 /nfs/dbraw/zinc/94/04/75/387940475.db2.gz FRXMFJWYPJUJNI-ZETCQYMHSA-N -1 3 226.305 0.678 20 0 BCADHM O=C(NC[C@@H]1CCCSC1)c1cnn[n-]1 ZINC000288233204 387940479 /nfs/dbraw/zinc/94/04/79/387940479.db2.gz FRXMFJWYPJUJNI-ZETCQYMHSA-N -1 3 226.305 0.678 20 0 BCADHM O=C(NC[C@@H]1CCCSC1)c1cn[n-]n1 ZINC000288233204 387940482 /nfs/dbraw/zinc/94/04/82/387940482.db2.gz FRXMFJWYPJUJNI-ZETCQYMHSA-N -1 3 226.305 0.678 20 0 BCADHM CCN(C(=O)c1ccc(O)cc1[O-])C1COC1 ZINC000452982313 387951558 /nfs/dbraw/zinc/95/15/58/387951558.db2.gz YDPGTKHOGHTSAD-UHFFFAOYSA-N -1 3 237.255 0.959 20 0 BCADHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000445739424 387963579 /nfs/dbraw/zinc/96/35/79/387963579.db2.gz BXQWHIQBTKDEOX-QMMMGPOBSA-N -1 3 233.289 0.983 20 0 BCADHM CC[C@@H](CCO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000159086105 387983847 /nfs/dbraw/zinc/98/38/47/387983847.db2.gz BXQCJJSVKASAFR-VIFPVBQESA-N -1 3 248.286 0.849 20 0 BCADHM Cc1cc(C(=O)NCc2cccn2C)[n-]c(=O)n1 ZINC000268891898 177795302 /nfs/dbraw/zinc/79/53/02/177795302.db2.gz SOGWUPFHBNGJID-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM O=S(=O)([N-]C1(CO)CCC1)c1cccs1 ZINC000162433369 388169162 /nfs/dbraw/zinc/16/91/62/388169162.db2.gz HEVZHOKEBPRUSQ-UHFFFAOYSA-N -1 3 247.341 0.941 20 0 BCADHM COCC(C)(C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646267415 388173453 /nfs/dbraw/zinc/17/34/53/388173453.db2.gz PJQIIUBHWQKWQL-UHFFFAOYSA-N -1 3 238.251 0.064 20 0 BCADHM CC[C@H](C)OCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646267597 388173889 /nfs/dbraw/zinc/17/38/89/388173889.db2.gz BUVZUHLCICIDDJ-LURJTMIESA-N -1 3 238.251 0.206 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000646266890 388173908 /nfs/dbraw/zinc/17/39/08/388173908.db2.gz XIXXROOKIQJDCR-JIGDXULJSA-N -1 3 246.274 0.827 20 0 BCADHM O=C(CC1CCC1)[N-]c1nnc2[nH]cnn12 ZINC000646266763 388173913 /nfs/dbraw/zinc/17/39/13/388173913.db2.gz RINILFOWFKUFSE-UHFFFAOYSA-N -1 3 220.236 0.581 20 0 BCADHM CCC[C@H](C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646266923 388173961 /nfs/dbraw/zinc/17/39/61/388173961.db2.gz ZNTPXPVHXQYDAR-LURJTMIESA-N -1 3 222.252 0.827 20 0 BCADHM O=S(=O)([N-]C1CCCC1)c1c[nH]cn1 ZINC000013366168 388131488 /nfs/dbraw/zinc/13/14/88/388131488.db2.gz JGZRKLFMOBXFEX-UHFFFAOYSA-N -1 3 215.278 0.631 20 0 BCADHM C=CC(=O)NCCC(=O)Nc1nc(C)ccc1[O-] ZINC000490774402 388253450 /nfs/dbraw/zinc/25/34/50/388253450.db2.gz HYIVUGDPVZCWEU-UHFFFAOYSA-N -1 3 249.270 0.726 20 0 BCADHM CC[C@@]1(O)CCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000490058273 388232366 /nfs/dbraw/zinc/23/23/66/388232366.db2.gz SPIINADOCXKNQY-LLVKDONJSA-N -1 3 248.290 0.068 20 0 BCADHM C=CC(=O)NCCC(=O)[N-]O[C@@H]1CCCCO1 ZINC000490584197 388241374 /nfs/dbraw/zinc/24/13/74/388241374.db2.gz WTVSQWSTFBKYHX-LLVKDONJSA-N -1 3 242.275 0.253 20 0 BCADHM C=CC(=O)NCCC(=O)[N-]O[C@H]1CCCCO1 ZINC000490584200 388241673 /nfs/dbraw/zinc/24/16/73/388241673.db2.gz WTVSQWSTFBKYHX-NSHDSACASA-N -1 3 242.275 0.253 20 0 BCADHM CN(CCCO)C(=O)Cc1ccc([O-])c(F)c1 ZINC000451647648 388288002 /nfs/dbraw/zinc/28/80/02/388288002.db2.gz BTBPMKHDXWUUKE-UHFFFAOYSA-N -1 3 241.262 0.915 20 0 BCADHM O=C(/C=C\c1ccc(O)cc1)[N-]OCCO ZINC000492033301 388332446 /nfs/dbraw/zinc/33/24/46/388332446.db2.gz QNYZDWDPOVMYQJ-UTCJRWHESA-N -1 3 223.228 0.446 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000491991920 388330992 /nfs/dbraw/zinc/33/09/92/388330992.db2.gz PLALGNZUBSIKCH-KQICPDCUSA-N -1 3 246.266 0.561 20 0 BCADHM O=C(/C=C\c1cccc(O)c1)[N-]OCCO ZINC000492002049 388331195 /nfs/dbraw/zinc/33/11/95/388331195.db2.gz HFUNGJCMDAQUJF-PLNGDYQASA-N -1 3 223.228 0.446 20 0 BCADHM CNC(=O)CN(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000492449068 388344400 /nfs/dbraw/zinc/34/44/00/388344400.db2.gz YPLROPYXQPNVDE-ONEGZZNKSA-N -1 3 249.270 0.005 20 0 BCADHM CC(C)[C@@H](C(=O)N(C)CC(=O)[O-])N(C)C ZINC000261531978 135161817 /nfs/dbraw/zinc/16/18/17/135161817.db2.gz IPUIIASKOCOLGR-VIFPVBQESA-N -1 3 216.281 0.116 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)COC(C)C ZINC000524411840 388358519 /nfs/dbraw/zinc/35/85/19/388358519.db2.gz AQSAINBCEWKLJO-VIFPVBQESA-N -1 3 241.291 0.040 20 0 BCADHM CCOCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000524397716 388358850 /nfs/dbraw/zinc/35/88/50/388358850.db2.gz VPSULUFGDLUHID-VIFPVBQESA-N -1 3 241.291 0.041 20 0 BCADHM COc1ncccc1C[N-]C(=O)C(F)F ZINC000234901161 388363238 /nfs/dbraw/zinc/36/32/38/388363238.db2.gz GILWVWBOFZWCSM-UHFFFAOYSA-N -1 3 216.187 0.972 20 0 BCADHM CO[C@](C)(CNC(=O)c1c[n-]nn1)C1CC1 ZINC000291192967 388372791 /nfs/dbraw/zinc/37/27/91/388372791.db2.gz JPHKYAGLZFZYIM-SNVBAGLBSA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@](C)(CNC(=O)c1cnn[n-]1)C1CC1 ZINC000291192967 388372794 /nfs/dbraw/zinc/37/27/94/388372794.db2.gz JPHKYAGLZFZYIM-SNVBAGLBSA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@](C)(CNC(=O)c1cn[n-]n1)C1CC1 ZINC000291192967 388372796 /nfs/dbraw/zinc/37/27/96/388372796.db2.gz JPHKYAGLZFZYIM-SNVBAGLBSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](NC1CC1)C(=O)Nc1ncccc1[O-] ZINC000294685386 388403406 /nfs/dbraw/zinc/40/34/06/388403406.db2.gz FMSNPUARPHAKJH-SSDOTTSWSA-N -1 3 221.260 0.866 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)/C=C\C1CC1 ZINC000492178449 388337598 /nfs/dbraw/zinc/33/75/98/388337598.db2.gz DIEYMSOWESFDBQ-WAYWQWQTSA-N -1 3 240.303 0.427 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCO[C@H]2C[C@H]21 ZINC000646747301 388455413 /nfs/dbraw/zinc/45/54/13/388455413.db2.gz OITSOSQCIJYLQP-KOLCDFICSA-N -1 3 235.239 0.711 20 0 BCADHM O=S(=O)([N-][C@H]1CCOC1)c1cccs1 ZINC000169967925 388467141 /nfs/dbraw/zinc/46/71/41/388467141.db2.gz AJENYSQTSCPAFK-ZETCQYMHSA-N -1 3 233.314 0.815 20 0 BCADHM Cc1ncc(CNC(=O)[C@@H]2CCC(=O)C2)c(=O)[n-]1 ZINC000648859274 388472479 /nfs/dbraw/zinc/47/24/79/388472479.db2.gz MOUMHLGTWSJUQP-MRVPVSSYSA-N -1 3 249.270 0.476 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CCCNC1=O ZINC000208540605 388488184 /nfs/dbraw/zinc/48/81/84/388488184.db2.gz NOGSEKOONWKPNZ-ZETCQYMHSA-N -1 3 235.243 0.252 20 0 BCADHM CO[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)C(C)C ZINC000342308230 388498160 /nfs/dbraw/zinc/49/81/60/388498160.db2.gz LRZISDGUEAKYJV-MRVPVSSYSA-N -1 3 247.320 0.359 20 0 BCADHM CC[C@]1(C)CN(Cc2nc(=O)[n-][nH]2)CCO1 ZINC000135613830 388503217 /nfs/dbraw/zinc/50/32/17/388503217.db2.gz NXDVOQRRYFRVIP-SNVBAGLBSA-N -1 3 226.280 0.099 20 0 BCADHM CCC[C@@H](O)CNC(=O)c1c([O-])cccc1O ZINC000220256820 388602382 /nfs/dbraw/zinc/60/23/82/388602382.db2.gz HIVFFHFFZVQNCS-MRVPVSSYSA-N -1 3 239.271 0.989 20 0 BCADHM CC(=O)c1ccc(C(=O)NCC2COC2)cc1[O-] ZINC000530117985 388611384 /nfs/dbraw/zinc/61/13/84/388611384.db2.gz BUNFOROHLXICEN-UHFFFAOYSA-N -1 3 249.266 0.971 20 0 BCADHM O=S(=O)(Nc1cccc(F)c1[O-])N1CCC1 ZINC000530146066 388616251 /nfs/dbraw/zinc/61/62/51/388616251.db2.gz YTZOHKJXAVALQM-UHFFFAOYSA-N -1 3 246.263 0.894 20 0 BCADHM O=S(=O)([N-]c1cccc(F)c1O)N1CCC1 ZINC000530146066 388616253 /nfs/dbraw/zinc/61/62/53/388616253.db2.gz YTZOHKJXAVALQM-UHFFFAOYSA-N -1 3 246.263 0.894 20 0 BCADHM C[C@@H](O)C[C@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000621950225 388686796 /nfs/dbraw/zinc/68/67/96/388686796.db2.gz LPLHCWSUGAJKFT-NKWVEPMBSA-N -1 3 242.250 0.816 20 0 BCADHM Cc1nc(C)c(CC(=O)NC2(C)CCC2)c(=O)[n-]1 ZINC000125948349 388683226 /nfs/dbraw/zinc/68/32/26/388683226.db2.gz RZOOFFVXXGNVQZ-UHFFFAOYSA-N -1 3 249.314 0.988 20 0 BCADHM C[C@@H]1CN(CCC2CC2)C[C@@H](C(=O)[O-])O1 ZINC000530170079 388618858 /nfs/dbraw/zinc/61/88/58/388618858.db2.gz PRZYRZXLXQNDHK-SCZZXKLOSA-N -1 3 213.277 0.960 20 0 BCADHM O=S(=O)([N-][C@@H]1CCCOCC1)c1c[nH]cn1 ZINC000328619659 388644954 /nfs/dbraw/zinc/64/49/54/388644954.db2.gz WEYWEJWMNHXXLG-MRVPVSSYSA-N -1 3 245.304 0.257 20 0 BCADHM COc1cccc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c1[O-] ZINC000530308086 388648769 /nfs/dbraw/zinc/64/87/69/388648769.db2.gz GGNBQIZMYAVHGP-JZYVYDRUSA-N -1 3 249.266 0.775 20 0 BCADHM NC(=O)CCCCNC(=O)c1ccccc1[O-] ZINC000089356797 388737138 /nfs/dbraw/zinc/73/71/38/388737138.db2.gz NQLFDMCBPKQJQX-UHFFFAOYSA-N -1 3 236.271 0.778 20 0 BCADHM Cc1cc(C(=O)N[C@@H](C)CC(N)=O)ccc1[O-] ZINC000227033779 388737429 /nfs/dbraw/zinc/73/74/29/388737429.db2.gz FYDOOWRMKFMGFG-QMMMGPOBSA-N -1 3 236.271 0.694 20 0 BCADHM C[C@@]1(O)CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000227616969 388753906 /nfs/dbraw/zinc/75/39/06/388753906.db2.gz ZMHVMFYESDLGGF-GFCCVEGCSA-N -1 3 237.255 0.695 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](CO)C2)n1 ZINC000248770414 388692686 /nfs/dbraw/zinc/69/26/86/388692686.db2.gz SQAOVUJQLWDXQU-NXEZZACHSA-N -1 3 237.303 0.866 20 0 BCADHM COc1nnc(NC(=O)c2ccncc2)[n-]1 ZINC000126770919 388701627 /nfs/dbraw/zinc/70/16/27/388701627.db2.gz XJHYRRWMVLXICT-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1nc(NC(=O)c2ccncc2)n[n-]1 ZINC000126770919 388701630 /nfs/dbraw/zinc/70/16/30/388701630.db2.gz XJHYRRWMVLXICT-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccncc2)n1 ZINC000126770919 388701633 /nfs/dbraw/zinc/70/16/33/388701633.db2.gz XJHYRRWMVLXICT-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1nnc(NC(=O)c2ccoc2C)[n-]1 ZINC000126812171 388703876 /nfs/dbraw/zinc/70/38/76/388703876.db2.gz SIFSLYLKZCKZPT-UHFFFAOYSA-N -1 3 222.204 0.967 20 0 BCADHM COc1nc(NC(=O)c2ccoc2C)n[n-]1 ZINC000126812171 388703878 /nfs/dbraw/zinc/70/38/78/388703878.db2.gz SIFSLYLKZCKZPT-UHFFFAOYSA-N -1 3 222.204 0.967 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccoc2C)n1 ZINC000126812171 388703880 /nfs/dbraw/zinc/70/38/80/388703880.db2.gz SIFSLYLKZCKZPT-UHFFFAOYSA-N -1 3 222.204 0.967 20 0 BCADHM C[C@H](CO)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000552420353 388706072 /nfs/dbraw/zinc/70/60/72/388706072.db2.gz ZMPANKYSGDFKLS-SSDOTTSWSA-N -1 3 234.259 0.411 20 0 BCADHM C[C@H](CO)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000552420353 388706073 /nfs/dbraw/zinc/70/60/73/388706073.db2.gz ZMPANKYSGDFKLS-SSDOTTSWSA-N -1 3 234.259 0.411 20 0 BCADHM C[C@H](CO)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000552420353 388706075 /nfs/dbraw/zinc/70/60/75/388706075.db2.gz ZMPANKYSGDFKLS-SSDOTTSWSA-N -1 3 234.259 0.411 20 0 BCADHM O=C(NC[C@@H]1CCCS1)c1c[n-]nn1 ZINC000087475680 388706139 /nfs/dbraw/zinc/70/61/39/388706139.db2.gz XBDOPPWQVMHGBI-LURJTMIESA-N -1 3 212.278 0.430 20 0 BCADHM O=C(NC[C@@H]1CCCS1)c1cnn[n-]1 ZINC000087475680 388706140 /nfs/dbraw/zinc/70/61/40/388706140.db2.gz XBDOPPWQVMHGBI-LURJTMIESA-N -1 3 212.278 0.430 20 0 BCADHM O=C(NC[C@@H]1CCCS1)c1cn[n-]n1 ZINC000087475680 388706143 /nfs/dbraw/zinc/70/61/43/388706143.db2.gz XBDOPPWQVMHGBI-LURJTMIESA-N -1 3 212.278 0.430 20 0 BCADHM O=C1[N-]C(=O)N2CCN(CCC3CC3)C[C@@H]12 ZINC000538713006 388708695 /nfs/dbraw/zinc/70/86/95/388708695.db2.gz WKBRVGKCTKROMF-VIFPVBQESA-N -1 3 223.276 0.023 20 0 BCADHM C[C@H](CNC(=O)c1c[n-]nn1)Cn1cccn1 ZINC000193628010 388711127 /nfs/dbraw/zinc/71/11/27/388711127.db2.gz GMJBALMRLKVAOF-MRVPVSSYSA-N -1 3 234.263 0.067 20 0 BCADHM C[C@H](CNC(=O)c1cnn[n-]1)Cn1cccn1 ZINC000193628010 388711129 /nfs/dbraw/zinc/71/11/29/388711129.db2.gz GMJBALMRLKVAOF-MRVPVSSYSA-N -1 3 234.263 0.067 20 0 BCADHM C[C@H](CNC(=O)c1cn[n-]n1)Cn1cccn1 ZINC000193628010 388711131 /nfs/dbraw/zinc/71/11/31/388711131.db2.gz GMJBALMRLKVAOF-MRVPVSSYSA-N -1 3 234.263 0.067 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)CCC(C)(C)C ZINC000226642965 388723759 /nfs/dbraw/zinc/72/37/59/388723759.db2.gz ZNPRBKPYFDCSGC-UHFFFAOYSA-N -1 3 237.321 0.515 20 0 BCADHM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1ccccc1[O-] ZINC000194345501 388729412 /nfs/dbraw/zinc/72/94/12/388729412.db2.gz ALVHRABHMMCXJG-KCJUWKMLSA-N -1 3 248.282 0.647 20 0 BCADHM C[C@H]1CCNC(=O)[C@H]1NC(=O)c1ccccc1[O-] ZINC000194345513 388729874 /nfs/dbraw/zinc/72/98/74/388729874.db2.gz ALVHRABHMMCXJG-KWQFWETISA-N -1 3 248.282 0.647 20 0 BCADHM COc1nnc(NC(=O)c2cc(C(C)=O)c[nH]2)[n-]1 ZINC000127820722 388731582 /nfs/dbraw/zinc/73/15/82/388731582.db2.gz OOLFHZZHPCDWRR-UHFFFAOYSA-N -1 3 249.230 0.596 20 0 BCADHM COc1nc(NC(=O)c2cc(C(C)=O)c[nH]2)n[n-]1 ZINC000127820722 388731584 /nfs/dbraw/zinc/73/15/84/388731584.db2.gz OOLFHZZHPCDWRR-UHFFFAOYSA-N -1 3 249.230 0.596 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(C(C)=O)c[nH]2)n1 ZINC000127820722 388731585 /nfs/dbraw/zinc/73/15/85/388731585.db2.gz OOLFHZZHPCDWRR-UHFFFAOYSA-N -1 3 249.230 0.596 20 0 BCADHM N=c1nc(N2C[C@@H]3CCC[C@H]3C2)nc2[nH][n-]cc1-2 ZINC000540392438 388803407 /nfs/dbraw/zinc/80/34/07/388803407.db2.gz IXTNGBKYFZZIME-YUMQZZPRSA-N -1 3 244.302 0.953 20 0 BCADHM CCC[C@H](O)CN1C[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000564218929 388761705 /nfs/dbraw/zinc/76/17/05/388761705.db2.gz NIMWNUFFKFHQPJ-LPEHRKFASA-N -1 3 231.292 0.321 20 0 BCADHM CSC1(C[N-]S(=O)(=O)c2c[nH]cn2)CC1 ZINC000228066938 388766906 /nfs/dbraw/zinc/76/69/06/388766906.db2.gz IQAMXRVPEAEHGY-UHFFFAOYSA-N -1 3 247.345 0.584 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CC=CCC1 ZINC000523688362 388853091 /nfs/dbraw/zinc/85/30/91/388853091.db2.gz SMJZJIMPCPHJTB-QWRGUYRKSA-N -1 3 249.314 0.971 20 0 BCADHM Cc1c[nH]cc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000523694860 388854547 /nfs/dbraw/zinc/85/45/47/388854547.db2.gz FUQJJEWYYZRORI-VIFPVBQESA-N -1 3 248.286 0.565 20 0 BCADHM CCO[C@H]1C[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000555972731 388864088 /nfs/dbraw/zinc/86/40/88/388864088.db2.gz LYRMVSVRBXBMNU-ZJUUUORDSA-N -1 3 246.270 0.865 20 0 BCADHM CCO[C@H]1C[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000555972731 388864089 /nfs/dbraw/zinc/86/40/89/388864089.db2.gz LYRMVSVRBXBMNU-ZJUUUORDSA-N -1 3 246.270 0.865 20 0 BCADHM CCO[C@H]1C[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000555972731 388864091 /nfs/dbraw/zinc/86/40/91/388864091.db2.gz LYRMVSVRBXBMNU-ZJUUUORDSA-N -1 3 246.270 0.865 20 0 BCADHM C[C@@H]1C(=O)N(C)CN1C(=O)c1csc(=O)[n-]1 ZINC000649158477 388884003 /nfs/dbraw/zinc/88/40/03/388884003.db2.gz UFJKHHRLYDHHGA-RXMQYKEDSA-N -1 3 241.272 0.109 20 0 BCADHM O=C(N[C@@H]1COCc2ccccc21)c1c[n-]nn1 ZINC000565293369 388934332 /nfs/dbraw/zinc/93/43/32/388934332.db2.gz VKTWLZXOKHBJEU-LLVKDONJSA-N -1 3 244.254 0.806 20 0 BCADHM O=C(N[C@@H]1COCc2ccccc21)c1cnn[n-]1 ZINC000565293369 388934334 /nfs/dbraw/zinc/93/43/34/388934334.db2.gz VKTWLZXOKHBJEU-LLVKDONJSA-N -1 3 244.254 0.806 20 0 BCADHM O=C(N[C@@H]1COCc2ccccc21)c1cn[n-]n1 ZINC000565293369 388934338 /nfs/dbraw/zinc/93/43/38/388934338.db2.gz VKTWLZXOKHBJEU-LLVKDONJSA-N -1 3 244.254 0.806 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)[C@@H]1CC=CCC1 ZINC000565516290 388950138 /nfs/dbraw/zinc/95/01/38/388950138.db2.gz HVSBIPCOGJMNKY-ZCFIWIBFSA-N -1 3 235.247 0.198 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)[C@@H]1CC=CCC1 ZINC000565516290 388950142 /nfs/dbraw/zinc/95/01/42/388950142.db2.gz HVSBIPCOGJMNKY-ZCFIWIBFSA-N -1 3 235.247 0.198 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)[C@@H]1CC=CCC1 ZINC000565516290 388950140 /nfs/dbraw/zinc/95/01/40/388950140.db2.gz HVSBIPCOGJMNKY-ZCFIWIBFSA-N -1 3 235.247 0.198 20 0 BCADHM CN1CC=C(CNC(=O)c2cncc([O-])c2)CC1 ZINC000271780045 389026391 /nfs/dbraw/zinc/02/63/91/389026391.db2.gz DIBDEVGBQXDOGR-UHFFFAOYSA-N -1 3 247.298 0.779 20 0 BCADHM Cc1nnc(CCNC(=O)c2cccc([O-])c2)[nH]1 ZINC000272736024 389035656 /nfs/dbraw/zinc/03/56/56/389035656.db2.gz HORTUMFLXJWYSA-UHFFFAOYSA-N -1 3 246.270 0.791 20 0 BCADHM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](N)CC ZINC000040486114 322832203 /nfs/dbraw/zinc/83/22/03/322832203.db2.gz YAVVJTOPYWDPKK-SFYZADRCSA-N -1 3 216.281 0.435 20 0 BCADHM O=C(CO)N1CCCc2cccc([O-])c21 ZINC000305794356 132289079 /nfs/dbraw/zinc/28/90/79/132289079.db2.gz BUXLPLWHUNNJPJ-UHFFFAOYSA-N -1 3 207.229 0.664 20 0 BCADHM Cc1cc(C(=O)[N-]c2nncs2)cnn1 ZINC000345027927 133722839 /nfs/dbraw/zinc/72/28/39/133722839.db2.gz TWIMSDOSRBBYNV-UHFFFAOYSA-N -1 3 221.245 0.889 20 0 BCADHM O=C(NCCCCCO)c1csc(=O)[n-]1 ZINC000352106915 134068207 /nfs/dbraw/zinc/06/82/07/134068207.db2.gz OIPGJEFKXSWMGH-UHFFFAOYSA-N -1 3 230.289 0.741 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c1 ZINC000336120294 134091309 /nfs/dbraw/zinc/09/13/09/134091309.db2.gz OMZRHTOTXVXYPK-JGVFFNPUSA-N -1 3 247.295 0.589 20 0 BCADHM CCc1cc(=O)[n-]c(CN(CC)C[C@@H](C)O)n1 ZINC000352201030 134100770 /nfs/dbraw/zinc/10/07/70/134100770.db2.gz DBRJFJRAKATUMK-SECBINFHSA-N -1 3 239.319 0.947 20 0 BCADHM O=C(NC[C@H]1CCCC(=O)N1)c1ccccc1[O-] ZINC000336157708 134106775 /nfs/dbraw/zinc/10/67/75/134106775.db2.gz ZIELMVMAFZXLEP-SECBINFHSA-N -1 3 248.282 0.791 20 0 BCADHM COc1nnc(NC(=O)CC2(O)CCCC2)[n-]1 ZINC000179366630 134316514 /nfs/dbraw/zinc/31/65/14/134316514.db2.gz YCTFGKHJMZZABE-UHFFFAOYSA-N -1 3 240.263 0.447 20 0 BCADHM COc1nc(NC(=O)CC2(O)CCCC2)n[n-]1 ZINC000179366630 134316515 /nfs/dbraw/zinc/31/65/15/134316515.db2.gz YCTFGKHJMZZABE-UHFFFAOYSA-N -1 3 240.263 0.447 20 0 BCADHM COc1n[n-]c(NC(=O)CC2(O)CCCC2)n1 ZINC000179366630 134316516 /nfs/dbraw/zinc/31/65/16/134316516.db2.gz YCTFGKHJMZZABE-UHFFFAOYSA-N -1 3 240.263 0.447 20 0 BCADHM COc1nnc(NC(=O)C[C@H](C)SC)[n-]1 ZINC000182982491 134350019 /nfs/dbraw/zinc/35/00/19/134350019.db2.gz JJHUNGLPDVTWLS-YFKPBYRVSA-N -1 3 230.293 0.893 20 0 BCADHM COc1nc(NC(=O)C[C@H](C)SC)n[n-]1 ZINC000182982491 134350020 /nfs/dbraw/zinc/35/00/20/134350020.db2.gz JJHUNGLPDVTWLS-YFKPBYRVSA-N -1 3 230.293 0.893 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@H](C)SC)n1 ZINC000182982491 134350021 /nfs/dbraw/zinc/35/00/21/134350021.db2.gz JJHUNGLPDVTWLS-YFKPBYRVSA-N -1 3 230.293 0.893 20 0 BCADHM C[C@@H](C(N)=O)S(=O)(=O)c1cccc([O-])c1 ZINC000183979343 134355850 /nfs/dbraw/zinc/35/58/50/134355850.db2.gz HEMVBXFOGVZTHV-LURJTMIESA-N -1 3 229.257 0.040 20 0 BCADHM CCCCCS(=O)(=O)[N-]C1(C(=O)OC)CC1 ZINC000184777810 134370330 /nfs/dbraw/zinc/37/03/30/134370330.db2.gz VCJNXDMMNLFBHJ-UHFFFAOYSA-N -1 3 249.332 0.802 20 0 BCADHM O=C(N[C@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000226711687 134370767 /nfs/dbraw/zinc/37/07/67/134370767.db2.gz XHCWSLRJRAMLTE-SSDOTTSWSA-N -1 3 220.228 0.011 20 0 BCADHM Cc1nc(C(=O)[N-]c2nc(C)n(C)n2)c(C)o1 ZINC000408113830 134396208 /nfs/dbraw/zinc/39/62/08/134396208.db2.gz AXDBVPUNWKYWHK-UHFFFAOYSA-N -1 3 235.247 0.981 20 0 BCADHM CC[C@H](C(=O)NCC(=O)[O-])N(CC)CC ZINC000261534934 135169201 /nfs/dbraw/zinc/16/92/01/135169201.db2.gz NLMGVTIMXPGWTI-MRVPVSSYSA-N -1 3 216.281 0.308 20 0 BCADHM C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CC(=O)[O-] ZINC000261588907 135229454 /nfs/dbraw/zinc/22/94/54/135229454.db2.gz STLHHVLBQPUHCO-DTORHVGOSA-N -1 3 228.292 0.402 20 0 BCADHM CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)C1CC1 ZINC000342259245 135258690 /nfs/dbraw/zinc/25/86/90/135258690.db2.gz HXBIXXQBXWHQQS-SECBINFHSA-N -1 3 249.332 0.658 20 0 BCADHM CC1(C)CCCN(CC(=O)NCC(=O)[O-])CC1 ZINC000262171029 135283728 /nfs/dbraw/zinc/28/37/28/135283728.db2.gz DHICDDRISWCKLT-UHFFFAOYSA-N -1 3 242.319 0.699 20 0 BCADHM C[C@@H]1CC[C@H](C)N(CC(=O)NCC(=O)[O-])C1 ZINC000262216250 135285636 /nfs/dbraw/zinc/28/56/36/135285636.db2.gz KRFFIPMEFNDTRU-BDAKNGLRSA-N -1 3 228.292 0.308 20 0 BCADHM CC[C@@H]1C[C@H](C)CN1CC(=O)NCC(=O)[O-] ZINC000262239868 135287596 /nfs/dbraw/zinc/28/75/96/135287596.db2.gz OMMOHOQSBNDUGW-DTWKUNHWSA-N -1 3 228.292 0.308 20 0 BCADHM O=C([O-])CNC(=O)CN1CCCCCCC1 ZINC000262251624 135288469 /nfs/dbraw/zinc/28/84/69/135288469.db2.gz QMPCZBYLSUALDY-UHFFFAOYSA-N -1 3 228.292 0.453 20 0 BCADHM C[C@H](C(=O)[O-])N(C)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000262852344 135321645 /nfs/dbraw/zinc/32/16/45/135321645.db2.gz GOFAVOJXZSIDEP-LPEHRKFASA-N -1 3 242.319 0.791 20 0 BCADHM CCCN1CCC[C@H]1C(=O)N(C)CCC(=O)[O-] ZINC000262875198 135322581 /nfs/dbraw/zinc/32/25/81/135322581.db2.gz KBXCAZJXAAEUQY-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CO)o1 ZINC000334166022 135323735 /nfs/dbraw/zinc/32/37/35/135323735.db2.gz ANCJZVGIJBUBSZ-LURJTMIESA-N -1 3 219.262 0.247 20 0 BCADHM CC1=CCN(C(=O)c2cn(C)c(=O)[n-]c2=O)CC1 ZINC000334885435 135834465 /nfs/dbraw/zinc/83/44/65/135834465.db2.gz LIIYFZRLHOLZOC-UHFFFAOYSA-N -1 3 249.270 0.278 20 0 BCADHM CC1CC([N-]S(=O)(=O)c2ccn(C)n2)C1 ZINC000335367454 136082162 /nfs/dbraw/zinc/08/21/62/136082162.db2.gz RDSQYMQCGCUAND-UHFFFAOYSA-N -1 3 229.305 0.497 20 0 BCADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccn(C)n2)C1 ZINC000335382171 136087786 /nfs/dbraw/zinc/08/77/86/136087786.db2.gz ZIXZWSMPLFXEAV-BDAKNGLRSA-N -1 3 243.332 0.887 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)n1 ZINC000335397126 136092978 /nfs/dbraw/zinc/09/29/78/136092978.db2.gz KHKHDZUHXKPBTR-SFYZADRCSA-N -1 3 247.295 0.589 20 0 BCADHM Cn1cnnc1CNC(=O)c1ccccc1[O-] ZINC000044913367 322843638 /nfs/dbraw/zinc/84/36/38/322843638.db2.gz ILKAGAVAOLPERP-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](CO)C1 ZINC000051883923 322852318 /nfs/dbraw/zinc/85/23/18/322852318.db2.gz RSEGMAQOHAOWPY-QMMMGPOBSA-N -1 3 237.255 0.552 20 0 BCADHM CN(C)CCN(C(=O)C(=O)[O-])C1CCCCC1 ZINC000360401613 397965299 /nfs/dbraw/zinc/96/52/99/397965299.db2.gz SIHZKHSYHFDOGS-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C(C)(C)C2CC2)c1 ZINC000334361204 397919304 /nfs/dbraw/zinc/91/93/04/397919304.db2.gz BNCJOZRGJFRPBF-UHFFFAOYSA-N -1 3 243.332 0.887 20 0 BCADHM COCC[C@@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000564907854 398048837 /nfs/dbraw/zinc/04/88/37/398048837.db2.gz YDSAODZDJAWTPK-MRVPVSSYSA-N -1 3 247.320 0.123 20 0 BCADHM CO[C@H](C)[C@@H](C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000292712524 398108433 /nfs/dbraw/zinc/10/84/33/398108433.db2.gz YHMWCEFDDJXLBW-HTQZYQBOSA-N -1 3 239.275 0.644 20 0 BCADHM CO[C@@H](C)[C@@H](C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000292712526 398108489 /nfs/dbraw/zinc/10/84/89/398108489.db2.gz YHMWCEFDDJXLBW-SFYZADRCSA-N -1 3 239.275 0.644 20 0 BCADHM CCCN(C)Cc1cc(=O)n2[n-]ccc2n1 ZINC000066497009 398123938 /nfs/dbraw/zinc/12/39/38/398123938.db2.gz FBUFQXIKSRXVAJ-UHFFFAOYSA-N -1 3 220.276 0.864 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1C ZINC000091437572 398128669 /nfs/dbraw/zinc/12/86/69/398128669.db2.gz KMYWQUXADCJROL-UWVGGRQHSA-N -1 3 249.314 1.000 20 0 BCADHM CC(C)NS(=O)(=O)NCc1ncccc1[O-] ZINC000360023251 167127143 /nfs/dbraw/zinc/12/71/43/167127143.db2.gz KKDOOCBKOVFARQ-UHFFFAOYSA-N -1 3 245.304 0.120 20 0 BCADHM CCN1CC[C@@H](NC(=O)c2cccc([O-])c2)C1=O ZINC000670171072 487570441 /nfs/dbraw/zinc/57/04/41/487570441.db2.gz DECKBJGIGNCPPM-LLVKDONJSA-N -1 3 248.282 0.743 20 0 BCADHM C[C@@H](CN(C)c1cnccn1)c1nnn[n-]1 ZINC000095244192 487572880 /nfs/dbraw/zinc/57/28/80/487572880.db2.gz KTGOLCKTGNJLDP-ZETCQYMHSA-N -1 3 219.252 0.230 20 0 BCADHM C[C@@H](CN(C)c1cnccn1)c1nn[n-]n1 ZINC000095244192 487572882 /nfs/dbraw/zinc/57/28/82/487572882.db2.gz KTGOLCKTGNJLDP-ZETCQYMHSA-N -1 3 219.252 0.230 20 0 BCADHM C[S@@](=O)CCCNC(=O)c1ccccc1[O-] ZINC000109917054 322906823 /nfs/dbraw/zinc/90/68/23/322906823.db2.gz ZUESDSWVENJCNN-INIZCTEOSA-N -1 3 241.312 0.891 20 0 BCADHM COC[C@H](CC(C)(C)C)NC(=O)c1c[n-]nn1 ZINC000655301274 409880489 /nfs/dbraw/zinc/88/04/89/409880489.db2.gz BNRKVTNANRUKJU-QMMMGPOBSA-N -1 3 240.307 0.986 20 0 BCADHM COC[C@H](CC(C)(C)C)NC(=O)c1cnn[n-]1 ZINC000655301274 409880497 /nfs/dbraw/zinc/88/04/97/409880497.db2.gz BNRKVTNANRUKJU-QMMMGPOBSA-N -1 3 240.307 0.986 20 0 BCADHM COC[C@H](CC(C)(C)C)NC(=O)c1cn[n-]n1 ZINC000655301274 409880503 /nfs/dbraw/zinc/88/05/03/409880503.db2.gz BNRKVTNANRUKJU-QMMMGPOBSA-N -1 3 240.307 0.986 20 0 BCADHM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000655311216 409886590 /nfs/dbraw/zinc/88/65/90/409886590.db2.gz CYASNDBTPNWTQK-ZKCHVHJHSA-N -1 3 238.291 0.881 20 0 BCADHM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000655311216 409886594 /nfs/dbraw/zinc/88/65/94/409886594.db2.gz CYASNDBTPNWTQK-ZKCHVHJHSA-N -1 3 238.291 0.881 20 0 BCADHM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000655311216 409886603 /nfs/dbraw/zinc/88/66/03/409886603.db2.gz CYASNDBTPNWTQK-ZKCHVHJHSA-N -1 3 238.291 0.881 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC[C@H](O)C(F)F ZINC000655397918 410200731 /nfs/dbraw/zinc/20/07/31/410200731.db2.gz JUUHFQHKAPRTIB-QMMMGPOBSA-N -1 3 246.213 0.072 20 0 BCADHM CC[C@H](C)N(CC)Cc1nc(=O)n(C)[n-]1 ZINC000661104470 410232061 /nfs/dbraw/zinc/23/20/61/410232061.db2.gz OCUFIRXPTYGDLD-QMMMGPOBSA-N -1 3 212.297 0.729 20 0 BCADHM C[C@H](CN1CCC(C)CC1)N=c1nn[n-]n1C ZINC000664454817 410584671 /nfs/dbraw/zinc/58/46/71/410584671.db2.gz PEMWXJDSWBDNMJ-SNVBAGLBSA-N -1 3 238.339 0.164 20 0 BCADHM CC(C)O[N-]C(=O)CCCCc1c[nH]nn1 ZINC000295730380 167274803 /nfs/dbraw/zinc/27/48/03/167274803.db2.gz RJKRFSDETTXANP-UHFFFAOYSA-N -1 3 226.280 0.974 20 0 BCADHM CC(C)SCCNC(=O)c1c[n-]nn1 ZINC000287302388 167330446 /nfs/dbraw/zinc/33/04/46/167330446.db2.gz ZMHJWZZNWKMZNG-UHFFFAOYSA-N -1 3 214.294 0.676 20 0 BCADHM CC(C)SCCNC(=O)c1cnn[n-]1 ZINC000287302388 167330455 /nfs/dbraw/zinc/33/04/55/167330455.db2.gz ZMHJWZZNWKMZNG-UHFFFAOYSA-N -1 3 214.294 0.676 20 0 BCADHM CC(C)SCCNC(=O)c1cn[n-]n1 ZINC000287302388 167330460 /nfs/dbraw/zinc/33/04/60/167330460.db2.gz ZMHJWZZNWKMZNG-UHFFFAOYSA-N -1 3 214.294 0.676 20 0 BCADHM O=S(=O)([N-][C@H](CO)CCF)c1ccccn1 ZINC000651893788 411149420 /nfs/dbraw/zinc/14/94/20/411149420.db2.gz GOWAGMNIOIZFOI-QMMMGPOBSA-N -1 3 248.279 0.080 20 0 BCADHM CC[C@H]1CN(CCC(=O)[O-])[C@H](C)CO1 ZINC000403986778 411182109 /nfs/dbraw/zinc/18/21/09/411182109.db2.gz IHISZUGQJYEQPJ-BDAKNGLRSA-N -1 3 201.266 0.960 20 0 BCADHM Cc1noc([N-]C(=O)c2ccnc(C)n2)n1 ZINC000048700084 411210104 /nfs/dbraw/zinc/21/01/04/411210104.db2.gz CGJJNYVEPSEFTN-UHFFFAOYSA-N -1 3 219.204 0.729 20 0 BCADHM Cc1noc([N-]C(=O)c2cnn3cccnc23)n1 ZINC000048699863 411210130 /nfs/dbraw/zinc/21/01/30/411210130.db2.gz KLFZWFHADDZTCD-UHFFFAOYSA-N -1 3 244.214 0.673 20 0 BCADHM Cn1[n-]nnc1=N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656227429 411212903 /nfs/dbraw/zinc/21/29/03/411212903.db2.gz RCAIMELABDRUNE-NXEZZACHSA-N -1 3 236.323 0.061 20 0 BCADHM CCN1CCCC[C@H]1C(=O)NC[C@H](C)C(=O)[O-] ZINC000656231801 411215618 /nfs/dbraw/zinc/21/56/18/411215618.db2.gz OYDSPMKUTMXDDO-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM Cc1nccc(C(=O)[N-]c2nncs2)n1 ZINC000048797290 411216462 /nfs/dbraw/zinc/21/64/62/411216462.db2.gz IAULDVDLJQHTCF-UHFFFAOYSA-N -1 3 221.245 0.889 20 0 BCADHM O=C(NC(C1CC1)C1CC1)c1c[n-]nn1 ZINC000048890424 411218730 /nfs/dbraw/zinc/21/87/30/411218730.db2.gz QRGVJOGDXWDFFZ-UHFFFAOYSA-N -1 3 206.249 0.723 20 0 BCADHM O=C(NC(C1CC1)C1CC1)c1cnn[n-]1 ZINC000048890424 411218734 /nfs/dbraw/zinc/21/87/34/411218734.db2.gz QRGVJOGDXWDFFZ-UHFFFAOYSA-N -1 3 206.249 0.723 20 0 BCADHM O=C(NC(C1CC1)C1CC1)c1cn[n-]n1 ZINC000048890424 411218737 /nfs/dbraw/zinc/21/87/37/411218737.db2.gz QRGVJOGDXWDFFZ-UHFFFAOYSA-N -1 3 206.249 0.723 20 0 BCADHM O[C@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)C12CCC2 ZINC000656474070 411277050 /nfs/dbraw/zinc/27/70/50/411277050.db2.gz XGYITHUUULJRRP-IUCAKERBSA-N -1 3 245.286 0.442 20 0 BCADHM COC[C@@H](CN1CCSC[C@@H]1C(=O)[O-])OC ZINC000659789251 411278746 /nfs/dbraw/zinc/27/87/46/411278746.db2.gz ABHUJFGBJFGEQX-RKDXNWHRSA-N -1 3 249.332 0.150 20 0 BCADHM O=C(N[C@H](CO)CCF)c1ccc(O)cc1[O-] ZINC000652913124 411328489 /nfs/dbraw/zinc/32/84/89/411328489.db2.gz VLMMDMIALBUDHO-ZETCQYMHSA-N -1 3 243.234 0.548 20 0 BCADHM CN(C[C@H](O)C(F)(F)F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659800999 411291268 /nfs/dbraw/zinc/29/12/68/411291268.db2.gz BWESUCRGDRZDCN-XVMARJQXSA-N -1 3 241.209 0.705 20 0 BCADHM CN(C[C@@H](O)C(F)(F)F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659800997 411291291 /nfs/dbraw/zinc/29/12/91/411291291.db2.gz BWESUCRGDRZDCN-DSYKOEDSSA-N -1 3 241.209 0.705 20 0 BCADHM O=C([O-])C1(NCc2ccnn2CC2CC2)CC1 ZINC000656564529 411302428 /nfs/dbraw/zinc/30/24/28/411302428.db2.gz PYLIXRRPXKSKPG-UHFFFAOYSA-N -1 3 235.287 1.000 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H]2CC(=O)N(C)C2)c1 ZINC000299669582 411302895 /nfs/dbraw/zinc/30/28/95/411302895.db2.gz PAKHJEQAPLIUSK-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM CS(=O)(=O)[N-]c1ccc2c(c1)CCNC2=O ZINC000656633019 411314930 /nfs/dbraw/zinc/31/49/30/411314930.db2.gz QHGRMLFXRRJJBK-UHFFFAOYSA-N -1 3 240.284 0.344 20 0 BCADHM O=C(N[C@H](CO)CCF)c1cccc([O-])c1 ZINC000652924799 411346555 /nfs/dbraw/zinc/34/65/55/411346555.db2.gz WJUHQVILBUJKHG-VIFPVBQESA-N -1 3 227.235 0.843 20 0 BCADHM CC1(O)CN(S(=O)(=O)c2ccc([O-])cc2)C1 ZINC000332041526 168069573 /nfs/dbraw/zinc/06/95/73/168069573.db2.gz YATIRJRXVLERIL-UHFFFAOYSA-N -1 3 243.284 0.148 20 0 BCADHM CC(C)[C@H]1CN(C(=O)C(C)(C)C(=O)[O-])CCN1 ZINC000656852781 411380561 /nfs/dbraw/zinc/38/05/61/411380561.db2.gz JWJDYHURRRUSSW-SECBINFHSA-N -1 3 242.319 0.554 20 0 BCADHM CC1CC([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000128907592 168146687 /nfs/dbraw/zinc/14/66/87/168146687.db2.gz LZZNUAPGDXUGCR-UHFFFAOYSA-N -1 3 215.278 0.487 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000331009277 168208541 /nfs/dbraw/zinc/20/85/41/168208541.db2.gz XHIMBDPURJFJHJ-SECBINFHSA-N -1 3 235.305 0.064 20 0 BCADHM CCC(C)(C)CNC(=O)CN1CC(=O)[N-]C1=O ZINC000192227091 168277320 /nfs/dbraw/zinc/27/73/20/168277320.db2.gz JWPLXSZHUMQQCE-UHFFFAOYSA-N -1 3 241.291 0.091 20 0 BCADHM CCC(C)(C)NC(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000062134205 168289167 /nfs/dbraw/zinc/28/91/67/168289167.db2.gz MODGUMHTXIRXEB-SECBINFHSA-N -1 3 242.319 0.698 20 0 BCADHM CCC(C)(C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000021927672 168301296 /nfs/dbraw/zinc/30/12/96/168301296.db2.gz RMHHJMSUDXESKP-UHFFFAOYSA-N -1 3 231.321 0.887 20 0 BCADHM O=S(=O)([N-][C@@]12C[C@@H]1CCC2)c1c[nH]cn1 ZINC000657054142 411397641 /nfs/dbraw/zinc/39/76/41/411397641.db2.gz SWOOTYWXQHXHPK-CBAPKCEASA-N -1 3 227.289 0.631 20 0 BCADHM O=S(=O)([N-]C/C=C/CO)c1cccs1 ZINC000657084626 411404189 /nfs/dbraw/zinc/40/41/89/411404189.db2.gz KMFVQVPJTIWFAK-OWOJBTEDSA-N -1 3 233.314 0.575 20 0 BCADHM C[C@@H](CCO)C[N-]S(=O)(=O)c1ccco1 ZINC000275475802 411440760 /nfs/dbraw/zinc/44/07/60/411440760.db2.gz MOQMIHQAWBRMGJ-QMMMGPOBSA-N -1 3 233.289 0.576 20 0 BCADHM CCN1CC(=O)N[C@@H]1c1nc(C)ccc1[O-] ZINC000276384530 169950139 /nfs/dbraw/zinc/95/01/39/169950139.db2.gz FCUJELUNRQUKPN-NSHDSACASA-N -1 3 221.260 0.546 20 0 BCADHM O=C([N-]c1nc2ccccn2n1)c1cncs1 ZINC000342656664 411506490 /nfs/dbraw/zinc/50/64/90/411506490.db2.gz FOJQUNOTPWMUFJ-UHFFFAOYSA-N -1 3 245.267 1.438 20 0 BCADHM CCNC(=O)[C@@H](C)[N-]C(=O)C(C)(F)F ZINC000288476423 170086090 /nfs/dbraw/zinc/08/60/90/170086090.db2.gz GELBERZOQMVACK-RXMQYKEDSA-N -1 3 208.208 0.282 20 0 BCADHM CCNC(=O)c1c[n-]c2ccncc2c1=O ZINC000340960147 170100475 /nfs/dbraw/zinc/10/04/75/170100475.db2.gz YHCPKCMBLIAVIK-UHFFFAOYSA-N -1 3 217.228 0.673 20 0 BCADHM CCOC(=O)CNC(=O)c1ccc(C)cc1[O-] ZINC000037564016 170225025 /nfs/dbraw/zinc/22/50/25/170225025.db2.gz IJHBKWJLIPFHTH-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM CCOC([O-])=NC(=S)Nc1ncccn1 ZINC000000243244 170240931 /nfs/dbraw/zinc/24/09/31/170240931.db2.gz DJECLDLDVXHLCF-UHFFFAOYSA-N -1 3 226.261 0.920 20 0 BCADHM CCOC(=O)[N-]C(=S)Nc1ncccn1 ZINC000000243244 170240933 /nfs/dbraw/zinc/24/09/33/170240933.db2.gz DJECLDLDVXHLCF-UHFFFAOYSA-N -1 3 226.261 0.920 20 0 BCADHM CCOC1(CNC(=O)c2c[n-]nn2)CCCC1 ZINC000336661346 170319354 /nfs/dbraw/zinc/31/93/54/170319354.db2.gz SMIZTYZFKXLCJA-UHFFFAOYSA-N -1 3 238.291 0.884 20 0 BCADHM CCOC1(CNC(=O)c2cnn[n-]2)CCCC1 ZINC000336661346 170319356 /nfs/dbraw/zinc/31/93/56/170319356.db2.gz SMIZTYZFKXLCJA-UHFFFAOYSA-N -1 3 238.291 0.884 20 0 BCADHM CCOC1(CNC(=O)c2cn[n-]n2)CCCC1 ZINC000336661346 170319358 /nfs/dbraw/zinc/31/93/58/170319358.db2.gz SMIZTYZFKXLCJA-UHFFFAOYSA-N -1 3 238.291 0.884 20 0 BCADHM CCOC1CN(C(=O)c2c([O-])cccc2O)C1 ZINC000295561728 170335430 /nfs/dbraw/zinc/33/54/30/170335430.db2.gz JUHXPFNDMXEERO-UHFFFAOYSA-N -1 3 237.255 0.959 20 0 BCADHM CCOC1CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000294922086 170336266 /nfs/dbraw/zinc/33/62/66/170336266.db2.gz QUMRMPWZXQZFHE-UHFFFAOYSA-N -1 3 246.270 0.819 20 0 BCADHM CCOCC(=O)NCc1ncccc1[O-] ZINC000352515488 170345214 /nfs/dbraw/zinc/34/52/14/170345214.db2.gz GZAHKOMDQGMWES-UHFFFAOYSA-N -1 3 210.233 0.440 20 0 BCADHM CCOCC(C)(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000339010607 170355913 /nfs/dbraw/zinc/35/59/13/170355913.db2.gz QZCMNSSVXMBKGC-UHFFFAOYSA-N -1 3 247.320 0.503 20 0 BCADHM Cn1[n-]c([C@H]2CCCN2Cc2cc[nH]n2)nc1=N ZINC000660468585 411589935 /nfs/dbraw/zinc/58/99/35/411589935.db2.gz GAKZFQREVCENRH-SECBINFHSA-N -1 3 247.306 0.288 20 0 BCADHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@@H](C)O)n1 ZINC000660749799 411620902 /nfs/dbraw/zinc/62/09/02/411620902.db2.gz QDPIIEOXDLNADK-MRVPVSSYSA-N -1 3 225.292 0.696 20 0 BCADHM c1nc2n(n1)CCC[C@H]2[N-]c1nnc(C2CC2)o1 ZINC000329351733 411705548 /nfs/dbraw/zinc/70/55/48/411705548.db2.gz DQOSVMICHRLAMN-MRVPVSSYSA-N -1 3 246.274 1.486 20 0 BCADHM COCc1cnc(C[N-]c2nnco2)s1 ZINC000336731461 411661004 /nfs/dbraw/zinc/66/10/04/411661004.db2.gz KSFYENSRCVGIPG-UHFFFAOYSA-N -1 3 226.261 1.285 20 0 BCADHM Cc1ccoc1C[N-]c1nnc(CO)o1 ZINC000336739181 411717466 /nfs/dbraw/zinc/71/74/66/411717466.db2.gz SDSPIMXJYFTWFP-UHFFFAOYSA-N -1 3 209.205 1.075 20 0 BCADHM O=c1[nH][n-]cc1CCCNc1ncccn1 ZINC000631362233 411675342 /nfs/dbraw/zinc/67/53/42/411675342.db2.gz QXHMXLSZAUBEKR-QMMMGPOBSA-N -1 3 219.248 0.401 20 0 BCADHM COc1cc(C(=O)[N-]c2cc(C3CC3)[nH]n2)on1 ZINC000345326860 411682867 /nfs/dbraw/zinc/68/28/67/411682867.db2.gz WBTIMTXHCGDRMB-UHFFFAOYSA-N -1 3 248.242 1.536 20 0 BCADHM O[C@@H]1COC[C@@H]1[N-]c1nnc(C2CC2)o1 ZINC000631430622 411695616 /nfs/dbraw/zinc/69/56/16/411695616.db2.gz HAHJRLBYYJYFPG-NKWVEPMBSA-N -1 3 211.221 0.119 20 0 BCADHM Cc1conc1[N-]C(=O)c1cnccn1 ZINC000362400550 411746963 /nfs/dbraw/zinc/74/69/63/411746963.db2.gz FFIWXBJLGMMISN-UHFFFAOYSA-N -1 3 204.189 1.025 20 0 BCADHM COc1ccccc1[C@H](CO)[N-]c1nnc(C)o1 ZINC000553100521 411761634 /nfs/dbraw/zinc/76/16/34/411761634.db2.gz KZEBLHNOQKTDKL-JTQLQIEISA-N -1 3 249.270 1.532 20 0 BCADHM COc1ccnc([N-]c2ccn(CCO)n2)n1 ZINC000607722441 411763393 /nfs/dbraw/zinc/76/33/93/411763393.db2.gz NSTAESAFBZXRCV-UHFFFAOYSA-N -1 3 235.247 0.418 20 0 BCADHM Cc1nccc(NCc2cnc(C)[n-]c2=O)n1 ZINC000343609427 411783264 /nfs/dbraw/zinc/78/32/64/411783264.db2.gz SMFOEOIXWPYGMM-UHFFFAOYSA-N -1 3 231.259 1.201 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1nocc1C ZINC000632927571 411815079 /nfs/dbraw/zinc/81/50/79/411815079.db2.gz GSAYWNZJUDPBNU-UHFFFAOYSA-N -1 3 221.220 0.847 20 0 BCADHM CC(F)(F)CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000393460929 411887612 /nfs/dbraw/zinc/88/76/12/411887612.db2.gz GAMGFTJTFVBAED-UHFFFAOYSA-N -1 3 228.206 0.376 20 0 BCADHM CC1(C)CC(CN=c2nc3[nH][n-]cc-3c(N)n2)C1 ZINC000548037365 411889523 /nfs/dbraw/zinc/88/95/23/411889523.db2.gz FHYXKHUKLAEHEH-UHFFFAOYSA-N -1 3 246.318 1.157 20 0 BCADHM CCO[C@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000664280488 411912174 /nfs/dbraw/zinc/91/21/74/411912174.db2.gz FXEONLMRDYRGTO-ZKCHVHJHSA-N -1 3 233.275 0.706 20 0 BCADHM C[C@@]1(CN=c2nc3[nH][n-]cc-3c(N)n2)CCCO1 ZINC000544837246 411917154 /nfs/dbraw/zinc/91/71/54/411917154.db2.gz LHBGIPSKLZWGBJ-NSHDSACASA-N -1 3 248.290 0.290 20 0 BCADHM Nc1cc(CSCCc2nnn[n-]2)ccn1 ZINC000603339468 411943861 /nfs/dbraw/zinc/94/38/61/411943861.db2.gz DMESIDQAWWDJDT-UHFFFAOYSA-N -1 3 236.304 0.653 20 0 BCADHM Nc1cc(CSCCc2nn[n-]n2)ccn1 ZINC000603339468 411943867 /nfs/dbraw/zinc/94/38/67/411943867.db2.gz DMESIDQAWWDJDT-UHFFFAOYSA-N -1 3 236.304 0.653 20 0 BCADHM Nc1nc(=N[C@@H]2CCC[C@@H]3C[C@@H]32)nc2[nH][n-]cc1-2 ZINC000570686310 411925629 /nfs/dbraw/zinc/92/56/29/411925629.db2.gz NGNOBASJTRZFMA-BKPPORCPSA-N -1 3 244.302 0.909 20 0 BCADHM C[C@H]1CC[C@@H](CN=c2nc3[nH][n-]cc-3c(N)n2)O1 ZINC000583130803 411929680 /nfs/dbraw/zinc/92/96/80/411929680.db2.gz DONRKZSHQAWCSA-BQBZGAKWSA-N -1 3 248.290 0.288 20 0 BCADHM CC[C@@H](COC)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268821990 170845577 /nfs/dbraw/zinc/84/55/77/170845577.db2.gz JYJFHJOGJYSUNT-QMMMGPOBSA-N -1 3 239.275 0.645 20 0 BCADHM CC[C@@H](N=c1nc2[nH][n-]cc-2c(N)n1)C(C)C ZINC000354506908 411878152 /nfs/dbraw/zinc/87/81/52/411878152.db2.gz LNZLUOPOORLAHU-MRVPVSSYSA-N -1 3 234.307 1.155 20 0 BCADHM C[C@@H](N=c1nc2[nH][n-]cc-2c(N)n1)C1CC1 ZINC000336649413 411883259 /nfs/dbraw/zinc/88/32/59/411883259.db2.gz DERPBQCMJGRTPE-RXMQYKEDSA-N -1 3 218.264 0.519 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@H]1CC12CCC2 ZINC000662132363 411997867 /nfs/dbraw/zinc/99/78/67/411997867.db2.gz RCRQMPISCNJGNO-ZCFIWIBFSA-N -1 3 249.274 0.293 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@H]1CC12CCC2 ZINC000662132363 411997868 /nfs/dbraw/zinc/99/78/68/411997868.db2.gz RCRQMPISCNJGNO-ZCFIWIBFSA-N -1 3 249.274 0.293 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@H]1CC12CCC2 ZINC000662132363 411997870 /nfs/dbraw/zinc/99/78/70/411997870.db2.gz RCRQMPISCNJGNO-ZCFIWIBFSA-N -1 3 249.274 0.293 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1nccn1C ZINC000664609235 411998993 /nfs/dbraw/zinc/99/89/93/411998993.db2.gz WOKZBGSQCWYTIM-SSDOTTSWSA-N -1 3 243.274 0.633 20 0 BCADHM CCN(C1CCC1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662203507 412024055 /nfs/dbraw/zinc/02/40/55/412024055.db2.gz FDAFZHWTXUYMDB-JTQLQIEISA-N -1 3 240.303 0.546 20 0 BCADHM C[C@@H]1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662201492 412025007 /nfs/dbraw/zinc/02/50/07/412025007.db2.gz TVBUIQPXXMNTJL-NXEZZACHSA-N -1 3 240.303 0.404 20 0 BCADHM CC1(C)CCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662204427 412026125 /nfs/dbraw/zinc/02/61/25/412026125.db2.gz HJEUAVQHKGPPFL-VIFPVBQESA-N -1 3 240.303 0.404 20 0 BCADHM CC[C@@H](C)N(CC)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662212948 412027629 /nfs/dbraw/zinc/02/76/29/412027629.db2.gz RCYSVMRFRAVTDS-NXEZZACHSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000336499206 171015188 /nfs/dbraw/zinc/01/51/88/171015188.db2.gz GXBXGONXAHCMTP-MRVPVSSYSA-N -1 3 210.281 0.340 20 0 BCADHM CC[C@@](C)(OC)C(=O)[N-]c1nncn1C ZINC000280283600 171191519 /nfs/dbraw/zinc/19/15/19/171191519.db2.gz PXFSQVCDRPTLLG-SECBINFHSA-N -1 3 212.253 0.569 20 0 BCADHM CC[C@H](C(N)=O)N1CCC(CCC(=O)[O-])CC1 ZINC000061678211 171243254 /nfs/dbraw/zinc/24/32/54/171243254.db2.gz MCSDRBRQAIUHCC-SNVBAGLBSA-N -1 3 242.319 0.827 20 0 BCADHM CC[C@H](C)NC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000042706258 171333992 /nfs/dbraw/zinc/33/39/92/171333992.db2.gz LPXCJUSUABADNL-UTLUCORTSA-N -1 3 244.335 0.942 20 0 BCADHM CC[C@H](C)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000298436506 171338462 /nfs/dbraw/zinc/33/84/62/171338462.db2.gz QCBCMHNXAGMWAK-LURJTMIESA-N -1 3 225.248 0.014 20 0 BCADHM CC[C@H](C)[C@@H](C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000179611249 171362206 /nfs/dbraw/zinc/36/22/06/171362206.db2.gz AUFNCLYOMPDGLN-RNJXMRFFSA-N -1 3 241.291 0.135 20 0 BCADHM CC[C@H](C)[C@@H](NC(=O)c1c[n-]nn1)C(=O)OC ZINC000096475044 171373412 /nfs/dbraw/zinc/37/34/12/171373412.db2.gz WLAVYTIUADVCFC-POYBYMJQSA-N -1 3 240.263 0.122 20 0 BCADHM CC[C@H](C)[C@@H](NC(=O)c1cnn[n-]1)C(=O)OC ZINC000096475044 171373415 /nfs/dbraw/zinc/37/34/15/171373415.db2.gz WLAVYTIUADVCFC-POYBYMJQSA-N -1 3 240.263 0.122 20 0 BCADHM CC[C@H](C)[C@@H](NC(=O)c1cn[n-]n1)C(=O)OC ZINC000096475044 171373417 /nfs/dbraw/zinc/37/34/17/171373417.db2.gz WLAVYTIUADVCFC-POYBYMJQSA-N -1 3 240.263 0.122 20 0 BCADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)C1CC1)C(=O)OC ZINC000360609557 171374808 /nfs/dbraw/zinc/37/48/08/171374808.db2.gz DQFSYGMUXGEIFQ-IONNQARKSA-N -1 3 249.332 0.656 20 0 BCADHM CC[C@H](C)[C@@H](OC)C(=O)[N-]c1nncn1C ZINC000356778866 171380822 /nfs/dbraw/zinc/38/08/22/171380822.db2.gz ZGUCNHFXVZMKQX-JGVFFNPUSA-N -1 3 226.280 0.815 20 0 BCADHM Cc1ccc(NC(=O)[C@H]2CN(C)C(=O)N2)c([O-])c1 ZINC000665202380 412135204 /nfs/dbraw/zinc/13/52/04/412135204.db2.gz AVZNDHBRMSNLLE-SECBINFHSA-N -1 3 249.270 0.663 20 0 BCADHM Cn1nncc1C[N-]c1nnc(C(F)(F)F)o1 ZINC000329974471 412201267 /nfs/dbraw/zinc/20/12/67/412201267.db2.gz DCXHBUHCQDKNQC-UHFFFAOYSA-N -1 3 248.168 0.829 20 0 BCADHM CCC(C)(C)c1nnc([N-][C@@H]2COC[C@H]2O)o1 ZINC000641621097 412336678 /nfs/dbraw/zinc/33/66/78/412336678.db2.gz CBOCUOPFCAIKNS-HTQZYQBOSA-N -1 3 241.291 0.929 20 0 BCADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1CCOC1 ZINC000647797429 412344104 /nfs/dbraw/zinc/34/41/04/412344104.db2.gz NAWIJSPTZFKTEW-SSDOTTSWSA-N -1 3 247.254 1.244 20 0 BCADHM CCC[C@@H](O)[C@@H](CO)[N-]c1nnc(C2CC2)o1 ZINC000413493268 412364233 /nfs/dbraw/zinc/36/42/33/412364233.db2.gz LJMVGEVAYNDTQN-RKDXNWHRSA-N -1 3 241.291 0.881 20 0 BCADHM CC(C)N(C)CC(=O)Nc1ncccc1[O-] ZINC000049398348 412293369 /nfs/dbraw/zinc/29/33/69/412293369.db2.gz YECIFNOZKSYJBV-UHFFFAOYSA-N -1 3 223.276 1.066 20 0 BCADHM CCc1ccc(C(=O)NC(CO)CO)c([O-])c1 ZINC000276323520 171784818 /nfs/dbraw/zinc/78/48/18/171784818.db2.gz FTMJUIDPNOMDBC-UHFFFAOYSA-N -1 3 239.271 0.038 20 0 BCADHM OC1CCC(CN=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000663233144 412395463 /nfs/dbraw/zinc/39/54/63/412395463.db2.gz WQMKJFKPVWTPKA-UHFFFAOYSA-N -1 3 247.302 0.689 20 0 BCADHM CC1(C)OCC[C@@H]1CN=c1ncnc2[nH][n-]cc1-2 ZINC000663233813 412396155 /nfs/dbraw/zinc/39/61/55/412396155.db2.gz JLTBZVUIJQGBBJ-MRVPVSSYSA-N -1 3 247.302 0.953 20 0 BCADHM CCCn1nccc1CNC1(C(=O)[O-])CC1 ZINC000663259251 412402270 /nfs/dbraw/zinc/40/22/70/412402270.db2.gz UPEOWSNILIGNJU-UHFFFAOYSA-N -1 3 223.276 1.000 20 0 BCADHM CC[C@H](N)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000663281200 412409448 /nfs/dbraw/zinc/40/94/48/412409448.db2.gz DPYWUNNUUWORNS-QMMMGPOBSA-N -1 3 230.308 0.683 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CCC2CC2)n1 ZINC000358611827 172000467 /nfs/dbraw/zinc/00/04/67/172000467.db2.gz OKPOXKVLXDFCHY-UHFFFAOYSA-N -1 3 229.305 0.941 20 0 BCADHM CCc1nnc(S(=O)(=O)CCC2CC2)[n-]1 ZINC000358611827 172000468 /nfs/dbraw/zinc/00/04/68/172000468.db2.gz OKPOXKVLXDFCHY-UHFFFAOYSA-N -1 3 229.305 0.941 20 0 BCADHM CCc1nnc([C@@H](C)[N-]C(=O)C(F)F)[nH]1 ZINC000280008268 172001133 /nfs/dbraw/zinc/00/11/33/172001133.db2.gz XCYFHENOFYNZQC-SCSAIBSYSA-N -1 3 218.207 0.809 20 0 BCADHM CCc1ncc(S(=O)(=O)[N-]C)s1 ZINC000306573438 172023232 /nfs/dbraw/zinc/02/32/32/172023232.db2.gz IDTNHSDMWZWQSM-UHFFFAOYSA-N -1 3 206.292 0.614 20 0 BCADHM CCc1nnc([N-]C(=O)c2cn(C)nn2)s1 ZINC000041527440 172058657 /nfs/dbraw/zinc/05/86/57/172058657.db2.gz DXFABVVJTULSFN-UHFFFAOYSA-N -1 3 238.276 0.481 20 0 BCADHM CCc1nnsc1C(=O)[N-]c1nncn1C ZINC000361338027 172070758 /nfs/dbraw/zinc/07/07/58/172070758.db2.gz AMLJKFNXIQFASS-UHFFFAOYSA-N -1 3 238.276 0.481 20 0 BCADHM CCc1noc([N-]Cc2ccnn2C)n1 ZINC000292695082 172089855 /nfs/dbraw/zinc/08/98/55/172089855.db2.gz JQEIJWWKWHJKCW-UHFFFAOYSA-N -1 3 207.237 0.978 20 0 BCADHM CCn1ccnc1CNC(=O)c1cncc([O-])c1 ZINC000295774563 172221948 /nfs/dbraw/zinc/22/19/48/172221948.db2.gz PLHAMPQROFOBLI-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H]1CCCO1 ZINC000285949315 172238859 /nfs/dbraw/zinc/23/88/59/172238859.db2.gz VJHZEVUEJUHAQI-ZETCQYMHSA-N -1 3 210.237 0.416 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1cc(C)on1 ZINC000285915020 172239206 /nfs/dbraw/zinc/23/92/06/172239206.db2.gz SOEYATUIVJQPDI-UHFFFAOYSA-N -1 3 221.220 0.847 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@]1(O)CCSC1 ZINC000285634810 172239641 /nfs/dbraw/zinc/23/96/41/172239641.db2.gz DAVRXAKQAGJMQE-SECBINFHSA-N -1 3 242.304 0.105 20 0 BCADHM CCn1ncnc1CNC(=O)c1cccc([O-])c1 ZINC000357907362 172282285 /nfs/dbraw/zinc/28/22/85/172282285.db2.gz FEJVGUKDLWNQQZ-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM CN(C(=O)c1c([O-])cccc1O)[C@H]1CCOC1 ZINC000220254378 172336834 /nfs/dbraw/zinc/33/68/34/172336834.db2.gz DXFISVDIVXZNQX-QMMMGPOBSA-N -1 3 237.255 0.959 20 0 BCADHM CN(C)C(=O)CN(C)C(=O)c1cccc([O-])c1 ZINC000037249208 172362775 /nfs/dbraw/zinc/36/27/75/172362775.db2.gz DAGSOPKUCMCLEE-UHFFFAOYSA-N -1 3 236.271 0.552 20 0 BCADHM CN1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000037760616 173014354 /nfs/dbraw/zinc/01/43/54/173014354.db2.gz RQISPEYONKFWBD-UHFFFAOYSA-N -1 3 235.287 0.565 20 0 BCADHM CN1CCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000331030918 173049706 /nfs/dbraw/zinc/04/97/06/173049706.db2.gz ZDYNFPXUJGONKG-JTQLQIEISA-N -1 3 235.287 0.498 20 0 BCADHM CN1CCO[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000081930982 173100448 /nfs/dbraw/zinc/10/04/48/173100448.db2.gz XYOQLZYBUAQKGM-SECBINFHSA-N -1 3 237.259 0.056 20 0 BCADHM CNC(=O)C1CN(C(=O)c2cccc([O-])c2)C1 ZINC000186195714 173225505 /nfs/dbraw/zinc/22/55/05/173225505.db2.gz IMKSTKZUPYHGCO-UHFFFAOYSA-N -1 3 234.255 0.210 20 0 BCADHM CNC(=O)CCCC(=O)[N-]OC/C=C/Cl ZINC000292222345 173234929 /nfs/dbraw/zinc/23/49/29/173234929.db2.gz QVIQCAFCSKUHHB-ZZXKWVIFSA-N -1 3 234.683 0.703 20 0 BCADHM CNC(=O)NCC(=O)Nc1ccc(C)cc1[O-] ZINC000090014795 173290095 /nfs/dbraw/zinc/29/00/95/173290095.db2.gz GENXMVADMFWZHL-UHFFFAOYSA-N -1 3 237.259 0.568 20 0 BCADHM CNC(=O)[C@@H]1CCCN1Cc1nc(C)ccc1[O-] ZINC000133593450 173298869 /nfs/dbraw/zinc/29/88/69/173298869.db2.gz LVJVDUOFZFHTPU-NSHDSACASA-N -1 3 249.314 0.806 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)CC1CCC1 ZINC000297823269 173314464 /nfs/dbraw/zinc/31/44/64/173314464.db2.gz VCPZIKRMECHIMX-UHFFFAOYSA-N -1 3 237.263 0.293 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)CC1CCC1 ZINC000297823269 173314466 /nfs/dbraw/zinc/31/44/66/173314466.db2.gz VCPZIKRMECHIMX-UHFFFAOYSA-N -1 3 237.263 0.293 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)CC1CCC1 ZINC000297823269 173314467 /nfs/dbraw/zinc/31/44/67/173314467.db2.gz VCPZIKRMECHIMX-UHFFFAOYSA-N -1 3 237.263 0.293 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C1CCCC1 ZINC000297702849 173314570 /nfs/dbraw/zinc/31/45/70/173314570.db2.gz KCMWAYRFKHRFQH-UHFFFAOYSA-N -1 3 237.263 0.293 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C1CCCC1 ZINC000297702849 173314571 /nfs/dbraw/zinc/31/45/71/173314571.db2.gz KCMWAYRFKHRFQH-UHFFFAOYSA-N -1 3 237.263 0.293 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C1CCCC1 ZINC000297702849 173314574 /nfs/dbraw/zinc/31/45/74/173314574.db2.gz KCMWAYRFKHRFQH-UHFFFAOYSA-N -1 3 237.263 0.293 20 0 BCADHM COC1CN(C(=O)c2csc(=O)[n-]2)C1 ZINC000329978433 174035014 /nfs/dbraw/zinc/03/50/14/174035014.db2.gz HOJGLOTUYJLJSR-UHFFFAOYSA-N -1 3 214.246 0.320 20 0 BCADHM CC[C@@H](C(=O)[O-])N1CCN([C@H]2CCOC2)CC1 ZINC000662226953 487628117 /nfs/dbraw/zinc/62/81/17/487628117.db2.gz MPNIMDWUPHSGNJ-QWRGUYRKSA-N -1 3 242.319 0.256 20 0 BCADHM COCC(C)(C)C(=O)Nc1nnc(OC)[n-]1 ZINC000272367380 174069073 /nfs/dbraw/zinc/06/90/73/174069073.db2.gz AJXJCROUUQFYCM-UHFFFAOYSA-N -1 3 228.252 0.424 20 0 BCADHM COCC(C)(C)C(=O)Nc1n[n-]c(OC)n1 ZINC000272367380 174069074 /nfs/dbraw/zinc/06/90/74/174069074.db2.gz AJXJCROUUQFYCM-UHFFFAOYSA-N -1 3 228.252 0.424 20 0 BCADHM COCC(C)(C)C(=O)Nc1nc(OC)n[n-]1 ZINC000272367380 174069075 /nfs/dbraw/zinc/06/90/75/174069075.db2.gz AJXJCROUUQFYCM-UHFFFAOYSA-N -1 3 228.252 0.424 20 0 BCADHM COCCC(=O)Nc1nnc(SC)[n-]1 ZINC000263887976 174139225 /nfs/dbraw/zinc/13/92/25/174139225.db2.gz YKWHAWIGCNKMOP-UHFFFAOYSA-N -1 3 216.266 0.502 20 0 BCADHM COCCC(=O)Nc1nc(SC)n[n-]1 ZINC000263887976 174139229 /nfs/dbraw/zinc/13/92/29/174139229.db2.gz YKWHAWIGCNKMOP-UHFFFAOYSA-N -1 3 216.266 0.502 20 0 BCADHM COCCC(=O)Nc1n[n-]c(SC)n1 ZINC000263887976 174139230 /nfs/dbraw/zinc/13/92/30/174139230.db2.gz YKWHAWIGCNKMOP-UHFFFAOYSA-N -1 3 216.266 0.502 20 0 BCADHM COCCCC[N-]S(=O)(=O)c1ccco1 ZINC000188604376 174201941 /nfs/dbraw/zinc/20/19/41/174201941.db2.gz BUWQMKBZRHTJQY-UHFFFAOYSA-N -1 3 233.289 0.985 20 0 BCADHM COCCCN(C)C(=O)c1csc(=O)[n-]1 ZINC000330994645 174214301 /nfs/dbraw/zinc/21/43/01/174214301.db2.gz UBYXAAUDMFOXRR-UHFFFAOYSA-N -1 3 230.289 0.957 20 0 BCADHM COCCCO[N-]C(=O)c1ccc(=O)[nH]c1 ZINC000287824591 174255853 /nfs/dbraw/zinc/25/58/53/174255853.db2.gz NGQJUMVCWGSIIN-UHFFFAOYSA-N -1 3 226.232 0.485 20 0 BCADHM COCCC[C@@H](C)C(=O)Nc1nnc(OC)[n-]1 ZINC000183009009 174260176 /nfs/dbraw/zinc/26/01/76/174260176.db2.gz RQXSPVSSOLPXLA-SSDOTTSWSA-N -1 3 242.279 0.815 20 0 BCADHM COCCC[C@@H](C)C(=O)Nc1n[n-]c(OC)n1 ZINC000183009009 174260178 /nfs/dbraw/zinc/26/01/78/174260178.db2.gz RQXSPVSSOLPXLA-SSDOTTSWSA-N -1 3 242.279 0.815 20 0 BCADHM COCCC[C@@H](C)C(=O)Nc1nc(OC)n[n-]1 ZINC000183009009 174260181 /nfs/dbraw/zinc/26/01/81/174260181.db2.gz RQXSPVSSOLPXLA-SSDOTTSWSA-N -1 3 242.279 0.815 20 0 BCADHM COCCOCC(=O)NCc1ncccc1[O-] ZINC000352502567 174347010 /nfs/dbraw/zinc/34/70/10/174347010.db2.gz WGXDDGLCUBPVFP-UHFFFAOYSA-N -1 3 240.259 0.066 20 0 BCADHM COCCOCCC(=O)[N-]OC/C=C/Cl ZINC000291931616 174348682 /nfs/dbraw/zinc/34/86/82/174348682.db2.gz VFASMIPRZWSZIN-DUXPYHPUSA-N -1 3 237.683 0.840 20 0 BCADHM COCCS(=O)(=O)[N-]Cc1cc(C)no1 ZINC000330417743 174372637 /nfs/dbraw/zinc/37/26/37/174372637.db2.gz PCGIKGKWLPUSIC-UHFFFAOYSA-N -1 3 234.277 0.049 20 0 BCADHM COCCS(=O)(=O)[N-]c1ccnc(OC)c1 ZINC000358978640 174374648 /nfs/dbraw/zinc/37/46/48/174374648.db2.gz JUNJDSWEBPHIGP-UHFFFAOYSA-N -1 3 246.288 0.478 20 0 BCADHM COCC[C@@H](NC(=O)c1c[n-]nn1)C(C)(C)C ZINC000338167112 174394628 /nfs/dbraw/zinc/39/46/28/174394628.db2.gz SSTZNTIMOQOULP-SECBINFHSA-N -1 3 240.307 0.986 20 0 BCADHM COCC[C@@H](NC(=O)c1cnn[n-]1)C(C)(C)C ZINC000338167112 174394629 /nfs/dbraw/zinc/39/46/29/174394629.db2.gz SSTZNTIMOQOULP-SECBINFHSA-N -1 3 240.307 0.986 20 0 BCADHM COCC[C@@H](NC(=O)c1cn[n-]n1)C(C)(C)C ZINC000338167112 174394630 /nfs/dbraw/zinc/39/46/30/174394630.db2.gz SSTZNTIMOQOULP-SECBINFHSA-N -1 3 240.307 0.986 20 0 BCADHM COC[C@@H](C)N(C)C(=O)c1csc(=O)[n-]1 ZINC000330955409 174446400 /nfs/dbraw/zinc/44/64/00/174446400.db2.gz BLFXFSKPXQQQKZ-ZCFIWIBFSA-N -1 3 230.289 0.956 20 0 BCADHM CO[N-]C(=O)CCOc1cccc(C(N)=O)c1 ZINC000267588806 174664260 /nfs/dbraw/zinc/66/42/60/174664260.db2.gz OZVSXYRIIXAMKU-UHFFFAOYSA-N -1 3 238.243 0.232 20 0 BCADHM COc1cc(C(=O)[N-]c2nncs2)nn1C ZINC000356064692 174949381 /nfs/dbraw/zinc/94/93/81/174949381.db2.gz IOJDYWFWUCFUTJ-UHFFFAOYSA-N -1 3 239.260 0.533 20 0 BCADHM COc1ccc(C(=O)N2CC(OC)C2)c([O-])c1 ZINC000310179965 175056121 /nfs/dbraw/zinc/05/61/21/175056121.db2.gz WTRDRDCLVNPSMQ-UHFFFAOYSA-N -1 3 237.255 0.872 20 0 BCADHM COc1ccc([O-])c(C(=O)Nc2cn(C)nn2)c1 ZINC000361149862 175157297 /nfs/dbraw/zinc/15/72/97/175157297.db2.gz MVPUMQBJKWFICH-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM COc1ccc([O-])c(C(=O)NCCO)c1 ZINC000035187787 175157355 /nfs/dbraw/zinc/15/73/55/175157355.db2.gz ITYPTINTOYAPDX-UHFFFAOYSA-N -1 3 211.217 0.123 20 0 BCADHM COc1cccc(C(=O)N(C)C[C@@H](C)O)c1[O-] ZINC000051818106 175242336 /nfs/dbraw/zinc/24/23/36/175242336.db2.gz LAULMYWMCMCFFD-MRVPVSSYSA-N -1 3 239.271 0.854 20 0 BCADHM COc1cccc(C(=O)N[C@H]2C[C@@H](O)C2)c1[O-] ZINC000298272140 175246541 /nfs/dbraw/zinc/24/65/41/175246541.db2.gz HJBZSYKIPFOZSP-OCAPTIKFSA-N -1 3 237.255 0.654 20 0 BCADHM COc1nnc(NC(=O)c2c[nH]cc2C)[n-]1 ZINC000352635861 175388650 /nfs/dbraw/zinc/38/86/50/175388650.db2.gz FFUHNXWNOBYPBM-UHFFFAOYSA-N -1 3 221.220 0.702 20 0 BCADHM COc1nc(NC(=O)c2c[nH]cc2C)n[n-]1 ZINC000352635861 175388652 /nfs/dbraw/zinc/38/86/52/175388652.db2.gz FFUHNXWNOBYPBM-UHFFFAOYSA-N -1 3 221.220 0.702 20 0 BCADHM COc1n[n-]c(NC(=O)c2c[nH]cc2C)n1 ZINC000352635861 175388654 /nfs/dbraw/zinc/38/86/54/175388654.db2.gz FFUHNXWNOBYPBM-UHFFFAOYSA-N -1 3 221.220 0.702 20 0 BCADHM COc1nnc(NC(=O)c2cncnc2C)[n-]1 ZINC000352647012 175388756 /nfs/dbraw/zinc/38/87/56/175388756.db2.gz WUDONXZHOJFJMO-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM COc1nc(NC(=O)c2cncnc2C)n[n-]1 ZINC000352647012 175388758 /nfs/dbraw/zinc/38/87/58/175388758.db2.gz WUDONXZHOJFJMO-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM COc1n[n-]c(NC(=O)c2cncnc2C)n1 ZINC000352647012 175388759 /nfs/dbraw/zinc/38/87/59/175388759.db2.gz WUDONXZHOJFJMO-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM COc1nnc(NC(=O)CCCC(C)=O)[n-]1 ZINC000185911125 175393597 /nfs/dbraw/zinc/39/35/97/175393597.db2.gz DMNIXKUQUNLMRN-UHFFFAOYSA-N -1 3 226.236 0.511 20 0 BCADHM COc1nc(NC(=O)CCCC(C)=O)n[n-]1 ZINC000185911125 175393599 /nfs/dbraw/zinc/39/35/99/175393599.db2.gz DMNIXKUQUNLMRN-UHFFFAOYSA-N -1 3 226.236 0.511 20 0 BCADHM COc1n[n-]c(NC(=O)CCCC(C)=O)n1 ZINC000185911125 175393601 /nfs/dbraw/zinc/39/36/01/175393601.db2.gz DMNIXKUQUNLMRN-UHFFFAOYSA-N -1 3 226.236 0.511 20 0 BCADHM COc1nnc(NC(=O)[C@@]2(C)CCCO2)[n-]1 ZINC000129423317 175393872 /nfs/dbraw/zinc/39/38/72/175393872.db2.gz RCFJCFQKMWAXTD-SECBINFHSA-N -1 3 226.236 0.321 20 0 BCADHM COc1nc(NC(=O)[C@@]2(C)CCCO2)n[n-]1 ZINC000129423317 175393873 /nfs/dbraw/zinc/39/38/73/175393873.db2.gz RCFJCFQKMWAXTD-SECBINFHSA-N -1 3 226.236 0.321 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@]2(C)CCCO2)n1 ZINC000129423317 175393874 /nfs/dbraw/zinc/39/38/74/175393874.db2.gz RCFJCFQKMWAXTD-SECBINFHSA-N -1 3 226.236 0.321 20 0 BCADHM COc1nnc(NC(=O)CCn2ccnc2)[n-]1 ZINC000129511502 175394164 /nfs/dbraw/zinc/39/41/64/175394164.db2.gz BPMZBMIEXKWHBN-UHFFFAOYSA-N -1 3 236.235 0.039 20 0 BCADHM COc1nc(NC(=O)CCn2ccnc2)n[n-]1 ZINC000129511502 175394165 /nfs/dbraw/zinc/39/41/65/175394165.db2.gz BPMZBMIEXKWHBN-UHFFFAOYSA-N -1 3 236.235 0.039 20 0 BCADHM COc1n[n-]c(NC(=O)CCn2ccnc2)n1 ZINC000129511502 175394167 /nfs/dbraw/zinc/39/41/67/175394167.db2.gz BPMZBMIEXKWHBN-UHFFFAOYSA-N -1 3 236.235 0.039 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCO[C@@H](C)C2)[n-]1 ZINC000272399789 175394280 /nfs/dbraw/zinc/39/42/80/175394280.db2.gz DOXWVFWOOHUAIG-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCO[C@@H](C)C2)n[n-]1 ZINC000272399789 175394282 /nfs/dbraw/zinc/39/42/82/175394282.db2.gz DOXWVFWOOHUAIG-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCO[C@@H](C)C2)n1 ZINC000272399789 175394283 /nfs/dbraw/zinc/39/42/83/175394283.db2.gz DOXWVFWOOHUAIG-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)COC(C)(C)C)[n-]1 ZINC000158194188 175394364 /nfs/dbraw/zinc/39/43/64/175394364.db2.gz QEALGQVKVMFALP-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM COc1nc(NC(=O)COC(C)(C)C)n[n-]1 ZINC000158194188 175394365 /nfs/dbraw/zinc/39/43/65/175394365.db2.gz QEALGQVKVMFALP-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)COC(C)(C)C)n1 ZINC000158194188 175394366 /nfs/dbraw/zinc/39/43/66/175394366.db2.gz QEALGQVKVMFALP-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@H](C)n2cccn2)[n-]1 ZINC000126806271 175394388 /nfs/dbraw/zinc/39/43/88/175394388.db2.gz PVYYWAJUKBRDFX-LURJTMIESA-N -1 3 236.235 0.210 20 0 BCADHM COc1nc(NC(=O)[C@H](C)n2cccn2)n[n-]1 ZINC000126806271 175394389 /nfs/dbraw/zinc/39/43/89/175394389.db2.gz PVYYWAJUKBRDFX-LURJTMIESA-N -1 3 236.235 0.210 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](C)n2cccn2)n1 ZINC000126806271 175394390 /nfs/dbraw/zinc/39/43/90/175394390.db2.gz PVYYWAJUKBRDFX-LURJTMIESA-N -1 3 236.235 0.210 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCCOC2)[n-]1 ZINC000126803978 175395033 /nfs/dbraw/zinc/39/50/33/175395033.db2.gz XSVIJTULGCUAEN-ZCFIWIBFSA-N -1 3 226.236 0.178 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCCOC2)n[n-]1 ZINC000126803978 175395035 /nfs/dbraw/zinc/39/50/35/175395035.db2.gz XSVIJTULGCUAEN-ZCFIWIBFSA-N -1 3 226.236 0.178 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCCOC2)n1 ZINC000126803978 175395037 /nfs/dbraw/zinc/39/50/37/175395037.db2.gz XSVIJTULGCUAEN-ZCFIWIBFSA-N -1 3 226.236 0.178 20 0 BCADHM COc1nnc(NC(=O)c2ccc(C)n2C)[n-]1 ZINC000129565023 175395502 /nfs/dbraw/zinc/39/55/02/175395502.db2.gz YCBJUWQEHXNXPI-UHFFFAOYSA-N -1 3 235.247 0.713 20 0 BCADHM COc1nc(NC(=O)c2ccc(C)n2C)n[n-]1 ZINC000129565023 175395504 /nfs/dbraw/zinc/39/55/04/175395504.db2.gz YCBJUWQEHXNXPI-UHFFFAOYSA-N -1 3 235.247 0.713 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccc(C)n2C)n1 ZINC000129565023 175395506 /nfs/dbraw/zinc/39/55/06/175395506.db2.gz YCBJUWQEHXNXPI-UHFFFAOYSA-N -1 3 235.247 0.713 20 0 BCADHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000264333781 176132278 /nfs/dbraw/zinc/13/22/78/176132278.db2.gz UFKMHBRCXLJCOB-BDAKNGLRSA-N -1 3 243.332 0.887 20 0 BCADHM C[C@@H]1CC[C@@H](C(=O)NCc2ncccc2[O-])O1 ZINC000331024270 176195888 /nfs/dbraw/zinc/19/58/88/176195888.db2.gz SISNEXHNMSTABN-KCJUWKMLSA-N -1 3 236.271 0.971 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)C[C@H]1O ZINC000357490250 176261769 /nfs/dbraw/zinc/26/17/69/176261769.db2.gz REHORNHZKVBHOX-LDYMZIIASA-N -1 3 221.256 0.845 20 0 BCADHM C[C@@H]1CN(Cc2nc(=O)[n-][nH]2)CCS1 ZINC000271642547 176311816 /nfs/dbraw/zinc/31/18/16/176311816.db2.gz RUYRPBNCEYQYBP-ZCFIWIBFSA-N -1 3 214.294 0.035 20 0 BCADHM C[C@@]1([N-]S(=O)(=O)c2ccco2)CCOC1 ZINC000275533822 176540009 /nfs/dbraw/zinc/54/00/09/176540009.db2.gz XWFGJWHIANUMBQ-SECBINFHSA-N -1 3 231.273 0.737 20 0 BCADHM C[C@H]1CCCC[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC000328602665 177083674 /nfs/dbraw/zinc/08/36/74/177083674.db2.gz HCZKUSGCQPWWGO-IUCAKERBSA-N -1 3 224.308 0.777 20 0 BCADHM C[C@@H](CNC(=O)C(=O)[O-])N1CCC[C@H](C)C1 ZINC000336755678 177103746 /nfs/dbraw/zinc/10/37/46/177103746.db2.gz XVICGZDJFMOADG-IUCAKERBSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000264333783 177126715 /nfs/dbraw/zinc/12/67/15/177126715.db2.gz UFKMHBRCXLJCOB-IUCAKERBSA-N -1 3 243.332 0.887 20 0 BCADHM C[C@H]1CN(Cc2n[nH]c(=O)[n-]2)[C@@H](C)CN1C ZINC000341130278 177270412 /nfs/dbraw/zinc/27/04/12/177270412.db2.gz APJWFUFKNLRRHV-YUMQZZPRSA-N -1 3 225.296 0.035 20 0 BCADHM C[C@@H]1C[C@H](C)N(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354597625 177317324 /nfs/dbraw/zinc/31/73/24/177317324.db2.gz QLNPVLKGSJPKRX-RQJHMYQMSA-N -1 3 232.291 0.952 20 0 BCADHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000263946688 177345695 /nfs/dbraw/zinc/34/56/95/177345695.db2.gz USIOKFHRMNMESH-JGVFFNPUSA-N -1 3 229.305 0.354 20 0 BCADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000263946690 177382202 /nfs/dbraw/zinc/38/22/02/177382202.db2.gz USIOKFHRMNMESH-YUMQZZPRSA-N -1 3 229.305 0.354 20 0 BCADHM C[C@@H](Cc1ccncc1)NC(=O)c1c[n-]nn1 ZINC000487881220 225327504 /nfs/dbraw/zinc/32/75/04/225327504.db2.gz ZPHDCFPFRFPKDB-QMMMGPOBSA-N -1 3 231.259 0.561 20 0 BCADHM C[C@@H](Cc1ccncc1)NC(=O)c1cnn[n-]1 ZINC000487881220 225327506 /nfs/dbraw/zinc/32/75/06/225327506.db2.gz ZPHDCFPFRFPKDB-QMMMGPOBSA-N -1 3 231.259 0.561 20 0 BCADHM C[C@@H](Cc1ccncc1)NC(=O)c1cn[n-]n1 ZINC000487881220 225327508 /nfs/dbraw/zinc/32/75/08/225327508.db2.gz ZPHDCFPFRFPKDB-QMMMGPOBSA-N -1 3 231.259 0.561 20 0 BCADHM COCCN(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000492477570 226003468 /nfs/dbraw/zinc/00/34/68/226003468.db2.gz VWZRMAOWLVIJKM-ONEGZZNKSA-N -1 3 236.271 0.905 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N(CCO)C1CC1 ZINC000492478831 226004450 /nfs/dbraw/zinc/00/44/50/226004450.db2.gz YHYYRUHFGZFOTN-RJRFIUFISA-N -1 3 248.282 0.784 20 0 BCADHM O=C(/C=C\c1cccnc1)[N-]O[C@H]1CCOC1 ZINC000492499138 226008773 /nfs/dbraw/zinc/00/87/73/226008773.db2.gz FVIAFUOSDSLQIF-BYCRGOAPSA-N -1 3 234.255 0.932 20 0 BCADHM O=C(/C=C/c1ccncn1)[N-]OCC(F)F ZINC000492623439 226029364 /nfs/dbraw/zinc/02/93/64/226029364.db2.gz LLXCIZLBLHJPLO-OWOJBTEDSA-N -1 3 229.186 0.803 20 0 BCADHM O=C(/C=C/c1ccc(F)cc1)[N-]OCCO ZINC000492715411 226040654 /nfs/dbraw/zinc/04/06/54/226040654.db2.gz KQIUVQNJFAHWFE-ZZXKWVIFSA-N -1 3 225.219 0.879 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CC(CO)C1 ZINC000492712200 226041325 /nfs/dbraw/zinc/04/13/25/226041325.db2.gz UZJAEYGXEQTPBF-UPHRSURJSA-N -1 3 234.255 0.251 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@H]1CO ZINC000492720274 226042343 /nfs/dbraw/zinc/04/23/43/226042343.db2.gz PXIFSZPAXYICPF-BYCRGOAPSA-N -1 3 248.282 0.784 20 0 BCADHM C[C@@]1(O)C[C@H](NC(=O)/C=C\c2cncc([O-])c2)C1 ZINC000493569598 226244001 /nfs/dbraw/zinc/24/40/01/226244001.db2.gz UTZMJMFXLKRQEW-STUMZOJDSA-N -1 3 248.282 0.830 20 0 BCADHM Cc1ccc(/C=C\C(=O)[N-]OCCCO)cn1 ZINC000493720151 226250998 /nfs/dbraw/zinc/25/09/98/226250998.db2.gz PYJUDFLVCMUPQS-WAYWQWQTSA-N -1 3 236.271 0.833 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NCCCCO ZINC000493771863 226253342 /nfs/dbraw/zinc/25/33/42/226253342.db2.gz OHDSBIMBSWVGPI-ONEGZZNKSA-N -1 3 236.271 0.689 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CC(F)C1 ZINC000493819034 226255642 /nfs/dbraw/zinc/25/56/42/226255642.db2.gz JKUHFMYOLMJFTM-OWOJBTEDSA-N -1 3 222.219 0.981 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NOCCCO ZINC000493828452 226256123 /nfs/dbraw/zinc/25/61/23/226256123.db2.gz VKIYKYSVVHPJLO-IHWYPQMZSA-N -1 3 238.243 0.231 20 0 BCADHM CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000087513084 487665347 /nfs/dbraw/zinc/66/53/47/487665347.db2.gz LIYBJDOHDLGSAF-AEJSXWLSSA-N -1 3 244.335 0.833 20 0 BCADHM O=C([O-])C[C@@H]1COCCN1CCC1CC1 ZINC000087507709 487665880 /nfs/dbraw/zinc/66/58/80/487665880.db2.gz CCKJYUWLILYRDO-SNVBAGLBSA-N -1 3 213.277 0.962 20 0 BCADHM CCOCCNC(=O)/C=C\c1cncc([O-])c1 ZINC000255759611 322939378 /nfs/dbraw/zinc/93/93/78/322939378.db2.gz OQXHHBQVOUKUDQ-ARJAWSKDSA-N -1 3 236.271 0.953 20 0 BCADHM Cc1c[nH]c(NC(=O)Cc2cncc([O-])c2)n1 ZINC000557646160 322940495 /nfs/dbraw/zinc/94/04/95/322940495.db2.gz MHAQBLQBOOSNJA-UHFFFAOYSA-N -1 3 232.243 1.000 20 0 BCADHM CCC[C@H](CC)C(=O)[N-]S(=O)(=O)CCN ZINC000901101370 584388219 /nfs/dbraw/zinc/38/82/19/584388219.db2.gz MBAPGNCXYKDESV-QMMMGPOBSA-N -1 3 236.337 0.217 20 0 BCADHM CCOC([O-])=NOCCCCCNC(C)=O ZINC000902451930 584607353 /nfs/dbraw/zinc/60/73/53/584607353.db2.gz WIRCGYNOUJOVAW-UHFFFAOYSA-N -1 3 232.280 0.971 20 0 BCADHM CCOC(=O)[N-]OCCCCCNC(C)=O ZINC000902451930 584607354 /nfs/dbraw/zinc/60/73/54/584607354.db2.gz WIRCGYNOUJOVAW-UHFFFAOYSA-N -1 3 232.280 0.971 20 0 BCADHM CC[C@H](C)CN(C)[C@@H](C)C(=O)NCC(=O)[O-] ZINC000736881277 585018813 /nfs/dbraw/zinc/01/88/13/585018813.db2.gz YBEBNZZGPZITKJ-IUCAKERBSA-N -1 3 230.308 0.554 20 0 BCADHM CCCN(CC(=O)NCC(=O)[O-])C1CC1 ZINC000737007456 585022247 /nfs/dbraw/zinc/02/22/47/585022247.db2.gz JBRWWHRGBWZANQ-UHFFFAOYSA-N -1 3 214.265 0.062 20 0 BCADHM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000251074350 487748476 /nfs/dbraw/zinc/74/84/76/487748476.db2.gz GEICAZNCZZGBQE-IVZWLZJFSA-N -1 3 238.287 0.014 20 0 BCADHM CC(C)N(C)CC(=O)NC(C)(C)C(=O)[O-] ZINC000737634557 585037738 /nfs/dbraw/zinc/03/77/38/585037738.db2.gz HLFUUQNZPSBCSR-UHFFFAOYSA-N -1 3 216.281 0.306 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCOCC1CC1 ZINC000839738207 585338141 /nfs/dbraw/zinc/33/81/41/585338141.db2.gz DESJBSXERHPQRG-UHFFFAOYSA-N -1 3 231.292 0.622 20 0 BCADHM O=C([N-]OCC(F)F)[C@@H]1C[C@@]12CCOC2 ZINC000764378040 585464139 /nfs/dbraw/zinc/46/41/39/585464139.db2.gz HOZBSYUINRWRAA-IMTBSYHQSA-N -1 3 221.203 0.726 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCN(C)C2=O)n1 ZINC000681538229 487810423 /nfs/dbraw/zinc/81/04/23/487810423.db2.gz YVNYBZBVGOPICZ-MRVPVSSYSA-N -1 3 249.270 0.512 20 0 BCADHM COC(=O)[C@@H](CC1CC1)[N-]C(=O)C(F)F ZINC000839815608 586000869 /nfs/dbraw/zinc/00/08/69/586000869.db2.gz ZXVJGOZXSGNTIS-ZCFIWIBFSA-N -1 3 221.203 0.709 20 0 BCADHM Cn1cnnc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000681638049 487827614 /nfs/dbraw/zinc/82/76/14/487827614.db2.gz VCYOMOQADYEPQH-UHFFFAOYSA-N -1 3 233.231 0.933 20 0 BCADHM CC(C)[C@H]1CN(Cc2n[nH]c(=O)[n-]2)CCN1C ZINC000487979800 527855666 /nfs/dbraw/zinc/85/56/66/527855666.db2.gz JGKYSDRTTIWHBW-SECBINFHSA-N -1 3 239.323 0.282 20 0 BCADHM CCO[N-]C(=O)CN[C@H](C)CSCCF ZINC000826143408 587351130 /nfs/dbraw/zinc/35/11/30/587351130.db2.gz YXAYYJZNCSZLTI-MRVPVSSYSA-N -1 3 238.328 0.735 20 0 BCADHM CC[C@H](O)CN(C)[C@@H](C)CNC(=O)[O-] ZINC000826626247 587357014 /nfs/dbraw/zinc/35/70/14/587357014.db2.gz TUCITKADFUDSAQ-YUMQZZPRSA-N -1 3 204.270 0.345 20 0 BCADHM CO[C@H](C)CCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836893366 587841759 /nfs/dbraw/zinc/84/17/59/587841759.db2.gz XTRJGRSOLXPHFF-ZJUUUORDSA-N -1 3 233.308 0.866 20 0 BCADHM CCOC[C@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000494291295 528978825 /nfs/dbraw/zinc/97/88/25/528978825.db2.gz VAWMLIDLGXVHGV-VIFPVBQESA-N -1 3 244.316 0.785 20 0 BCADHM CCO[N-]C(=O)CCCC(=O)N(C)C ZINC000735840424 643567828 /nfs/dbraw/zinc/56/78/28/643567828.db2.gz RIKPPZYBPBKXFM-UHFFFAOYSA-N -1 3 202.254 0.313 20 0 BCADHM Cc1n[nH]c(C(=O)NC2CCN(C)CC2)c1[O-] ZINC000676630023 487882657 /nfs/dbraw/zinc/88/26/57/487882657.db2.gz PTYHBPFPFVTQQU-UHFFFAOYSA-N -1 3 238.291 0.248 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000229243890 487898255 /nfs/dbraw/zinc/89/82/55/487898255.db2.gz WWEXTZZXFQRRKN-LPEHRKFASA-N -1 3 242.319 0.696 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc3[n-]nnc32)C[C@H]1O ZINC000682167386 487922482 /nfs/dbraw/zinc/92/24/82/487922482.db2.gz OOJKUURHOCBUTE-OIBJUYFYSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc3nn[n-]c32)C[C@H]1O ZINC000682167386 487922485 /nfs/dbraw/zinc/92/24/85/487922485.db2.gz OOJKUURHOCBUTE-OIBJUYFYSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc3n[n-]nc32)C[C@H]1O ZINC000682167386 487922487 /nfs/dbraw/zinc/92/24/87/487922487.db2.gz OOJKUURHOCBUTE-OIBJUYFYSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1cocn1 ZINC000682368376 487936979 /nfs/dbraw/zinc/93/69/79/487936979.db2.gz QYZUOTZYRFBJMO-VXNVDRBHSA-N -1 3 246.288 0.271 20 0 BCADHM COc1ccc(NC(=O)Cn2cncn2)c([O-])c1 ZINC000682365035 487940042 /nfs/dbraw/zinc/94/00/42/487940042.db2.gz PCQWUOWUUGQASW-UHFFFAOYSA-N -1 3 248.242 0.631 20 0 BCADHM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]Cc1cocn1 ZINC000682368373 487941267 /nfs/dbraw/zinc/94/12/67/487941267.db2.gz QYZUOTZYRFBJMO-APPZFPTMSA-N -1 3 246.288 0.271 20 0 BCADHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1cocn1 ZINC000682368375 487941579 /nfs/dbraw/zinc/94/15/79/487941579.db2.gz QYZUOTZYRFBJMO-IONNQARKSA-N -1 3 246.288 0.271 20 0 BCADHM C[C@H](O)CCN(C)C(=O)Cc1cncc([O-])c1 ZINC000557651903 322940641 /nfs/dbraw/zinc/94/06/41/322940641.db2.gz NBYGDSXKYZXQOZ-VIFPVBQESA-N -1 3 238.287 0.559 20 0 BCADHM CN1C[C@@H](C(=O)Nc2ccccc2[O-])CC1=O ZINC000126778852 323004264 /nfs/dbraw/zinc/00/42/64/323004264.db2.gz SBTQPSINZDEQCU-QMMMGPOBSA-N -1 3 234.255 0.809 20 0 BCADHM Cc1ncc(CNCC2=CCCOC2)c(=O)[n-]1 ZINC000561798939 323007294 /nfs/dbraw/zinc/00/72/94/323007294.db2.gz GFGSIPFTLYIRGM-UHFFFAOYSA-N -1 3 235.287 0.927 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c1 ZINC000562386119 323018895 /nfs/dbraw/zinc/01/88/95/323018895.db2.gz WDIXUKHXTJZLER-DTWKUNHWSA-N -1 3 241.316 0.497 20 0 BCADHM C[C@H]1CCSCCN1CCOCC(=O)[O-] ZINC000565108019 323022850 /nfs/dbraw/zinc/02/28/50/323022850.db2.gz UCRLKMBOTBDXGB-VIFPVBQESA-N -1 3 233.333 0.915 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1c[n-]nn1 ZINC000562661886 323026519 /nfs/dbraw/zinc/02/65/19/323026519.db2.gz HLWXFVPVLHPXJX-CSMHCCOUSA-N -1 3 206.249 0.723 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cnn[n-]1 ZINC000562661886 323026520 /nfs/dbraw/zinc/02/65/20/323026520.db2.gz HLWXFVPVLHPXJX-CSMHCCOUSA-N -1 3 206.249 0.723 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cn[n-]n1 ZINC000562661886 323026521 /nfs/dbraw/zinc/02/65/21/323026521.db2.gz HLWXFVPVLHPXJX-CSMHCCOUSA-N -1 3 206.249 0.723 20 0 BCADHM CN(C)C1CN(C(=O)Cc2cncc([O-])c2)C1 ZINC000565211770 323033667 /nfs/dbraw/zinc/03/36/67/323033667.db2.gz DOEOABVCHVLRAQ-UHFFFAOYSA-N -1 3 235.287 0.102 20 0 BCADHM CCC1(O)CN(C(=O)Cc2cncc([O-])c2)C1 ZINC000565217097 323033949 /nfs/dbraw/zinc/03/39/49/323033949.db2.gz ZYBIXCIUIPZEHZ-UHFFFAOYSA-N -1 3 236.271 0.313 20 0 BCADHM CN(Cc1ncccc1[O-])[C@]1(CO)CCOC1 ZINC000570461161 323060443 /nfs/dbraw/zinc/06/04/43/323060443.db2.gz MXMLDCDQPFHGQI-LBPRGKRZSA-N -1 3 238.287 0.370 20 0 BCADHM CC[C@@H](NC(=O)[C@@H]1C[C@H](C)CCN1)C(=O)[O-] ZINC000160638254 323074136 /nfs/dbraw/zinc/07/41/36/323074136.db2.gz FVRHUQWFVKPWFL-HLTSFMKQSA-N -1 3 228.292 0.354 20 0 BCADHM CSC[C@@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000567771263 323081171 /nfs/dbraw/zinc/08/11/71/323081171.db2.gz XFMXPKVEWBDSDJ-SSDOTTSWSA-N -1 3 249.361 0.450 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)C1CC1 ZINC000531351388 323087941 /nfs/dbraw/zinc/08/79/41/323087941.db2.gz NJJVQVBSCFNPOL-XVKPBYJWSA-N -1 3 237.303 0.661 20 0 BCADHM CCc1cccc(C(=O)NCCC(N)=O)c1[O-] ZINC000531435474 323089650 /nfs/dbraw/zinc/08/96/50/323089650.db2.gz PFIKNXSJHJKYCH-UHFFFAOYSA-N -1 3 236.271 0.560 20 0 BCADHM CCc1ccc([O-])c(C(=O)NC2=NCC(=O)N2)c1 ZINC000522753818 323091555 /nfs/dbraw/zinc/09/15/55/323091555.db2.gz ZZQRXUHVYAXFGH-UHFFFAOYSA-N -1 3 247.254 0.170 20 0 BCADHM CC[C@H](C)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225906639 323097971 /nfs/dbraw/zinc/09/79/71/323097971.db2.gz FHMPZWGETLKXQM-VIFPVBQESA-N -1 3 230.308 0.507 20 0 BCADHM C[C@@H](O)CN(Cc1ncccc1[O-])[C@H](C)CO ZINC000563656632 323133911 /nfs/dbraw/zinc/13/39/11/323133911.db2.gz OLLMKGRBZJJXTG-NXEZZACHSA-N -1 3 240.303 0.351 20 0 BCADHM C[C@H](O)[C@@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000161032929 323144083 /nfs/dbraw/zinc/14/40/83/323144083.db2.gz KSRFJVHNHJJGET-DTWKUNHWSA-N -1 3 236.271 0.987 20 0 BCADHM O=C(NCCc1cccs1)c1c[n-]nn1 ZINC000048889651 323155753 /nfs/dbraw/zinc/15/57/53/323155753.db2.gz NKJJAHSVZYCFDX-UHFFFAOYSA-N -1 3 222.273 0.839 20 0 BCADHM O=C(NCCc1cccs1)c1cnn[n-]1 ZINC000048889651 323155754 /nfs/dbraw/zinc/15/57/54/323155754.db2.gz NKJJAHSVZYCFDX-UHFFFAOYSA-N -1 3 222.273 0.839 20 0 BCADHM O=C(NCCc1cccs1)c1cn[n-]n1 ZINC000048889651 323155755 /nfs/dbraw/zinc/15/57/55/323155755.db2.gz NKJJAHSVZYCFDX-UHFFFAOYSA-N -1 3 222.273 0.839 20 0 BCADHM O=C(Nc1cccc([O-])c1F)[C@@H]1COCCO1 ZINC000534944430 323162328 /nfs/dbraw/zinc/16/23/28/323162328.db2.gz OSOOICZHZYEQKS-VIFPVBQESA-N -1 3 241.218 0.885 20 0 BCADHM CCC[C@H](C(=O)[O-])N1C[C@@H](C)O[C@@H](COC)C1 ZINC000563816202 323179094 /nfs/dbraw/zinc/17/90/94/323179094.db2.gz APJRCBDZZLVBLG-GMTAPVOTSA-N -1 3 245.319 0.975 20 0 BCADHM Cn1nncc1CNC(=O)c1c([O-])cccc1O ZINC000394977341 323184927 /nfs/dbraw/zinc/18/49/27/323184927.db2.gz YKWLWCZQCNKXFN-UHFFFAOYSA-N -1 3 248.242 0.156 20 0 BCADHM C[C@@]1(O)C[C@H](NC(=O)c2cccc3nn[n-]c32)C1 ZINC000519589533 323203660 /nfs/dbraw/zinc/20/36/60/323203660.db2.gz VQSXQARFTQQQNG-OGXFKERWSA-N -1 3 246.270 0.601 20 0 BCADHM C[C@@]1(O)C[C@H](NC(=O)c2cccc3[n-]nnc32)C1 ZINC000519589533 323203661 /nfs/dbraw/zinc/20/36/61/323203661.db2.gz VQSXQARFTQQQNG-OGXFKERWSA-N -1 3 246.270 0.601 20 0 BCADHM C[C@@]1(O)C[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC000519589533 323203662 /nfs/dbraw/zinc/20/36/62/323203662.db2.gz VQSXQARFTQQQNG-OGXFKERWSA-N -1 3 246.270 0.601 20 0 BCADHM COCC1(NC(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000532528748 323273389 /nfs/dbraw/zinc/27/33/89/323273389.db2.gz GMAJEPCCXZYZII-UHFFFAOYSA-N -1 3 246.270 0.867 20 0 BCADHM Cc1nnc([C@H](C)N=c2ncnc3[nH][n-]cc2-3)o1 ZINC000532717962 323292235 /nfs/dbraw/zinc/29/22/35/323292235.db2.gz WOWXVEMXEPBXRE-YFKPBYRVSA-N -1 3 245.246 0.591 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1C(=O)c1cccc2[n-]nnc21 ZINC000530416439 323385812 /nfs/dbraw/zinc/38/58/12/323385812.db2.gz PDBICCGBUCRQFJ-HTQZYQBOSA-N -1 3 246.270 0.553 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1C(=O)c1cccc2nn[n-]c21 ZINC000530416439 323385816 /nfs/dbraw/zinc/38/58/16/323385816.db2.gz PDBICCGBUCRQFJ-HTQZYQBOSA-N -1 3 246.270 0.553 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1C(=O)c1cccc2n[n-]nc21 ZINC000530416439 323385818 /nfs/dbraw/zinc/38/58/18/323385818.db2.gz PDBICCGBUCRQFJ-HTQZYQBOSA-N -1 3 246.270 0.553 20 0 BCADHM O=S(=O)([N-]CCCC1CC1)c1c[nH]cn1 ZINC000122256084 324035862 /nfs/dbraw/zinc/03/58/62/324035862.db2.gz CGZWYENTVZMBOX-UHFFFAOYSA-N -1 3 229.305 0.878 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528959895 324224862 /nfs/dbraw/zinc/22/48/62/324224862.db2.gz ADVQJHYWGKAZJQ-JGVFFNPUSA-N -1 3 240.284 0.385 20 0 BCADHM Cn1cc(C(=O)NCC2CC=CC2)c(=O)[n-]c1=O ZINC000529712957 324387130 /nfs/dbraw/zinc/38/71/30/324387130.db2.gz NGSLDHCKAGSRAT-UHFFFAOYSA-N -1 3 249.270 0.182 20 0 BCADHM Cc1ncc(CNC(=O)Cc2ccon2)c(=O)[n-]1 ZINC000543311839 325081615 /nfs/dbraw/zinc/08/16/15/325081615.db2.gz TXRRQROXOAHCDJ-UHFFFAOYSA-N -1 3 248.242 0.338 20 0 BCADHM C[C@H](CCO)CNC(=O)c1cccc2nn[n-]c21 ZINC000543748935 325109088 /nfs/dbraw/zinc/10/90/88/325109088.db2.gz FBBJSAPDFQAOMP-MRVPVSSYSA-N -1 3 248.286 0.706 20 0 BCADHM C[C@H](CCO)CNC(=O)c1cccc2[n-]nnc21 ZINC000543748935 325109090 /nfs/dbraw/zinc/10/90/90/325109090.db2.gz FBBJSAPDFQAOMP-MRVPVSSYSA-N -1 3 248.286 0.706 20 0 BCADHM C[C@H](CCO)CNC(=O)c1cccc2n[n-]nc21 ZINC000543748935 325109093 /nfs/dbraw/zinc/10/90/93/325109093.db2.gz FBBJSAPDFQAOMP-MRVPVSSYSA-N -1 3 248.286 0.706 20 0 BCADHM Cc1ccn2c(c1)nnc2NC(=O)c1cnn[n-]1 ZINC000131042896 325110577 /nfs/dbraw/zinc/11/05/77/325110577.db2.gz XQPUJZLLUJLPND-UHFFFAOYSA-N -1 3 243.230 0.408 20 0 BCADHM Cc1ccn2c(c1)nnc2NC(=O)c1c[n-]nn1 ZINC000131042896 325110580 /nfs/dbraw/zinc/11/05/80/325110580.db2.gz XQPUJZLLUJLPND-UHFFFAOYSA-N -1 3 243.230 0.408 20 0 BCADHM Cc1ccn2c(c1)nnc2NC(=O)c1cn[n-]n1 ZINC000131042896 325110583 /nfs/dbraw/zinc/11/05/83/325110583.db2.gz XQPUJZLLUJLPND-UHFFFAOYSA-N -1 3 243.230 0.408 20 0 BCADHM CN(C)S(=O)(=O)Nc1cccc([O-])c1F ZINC000131525197 325161249 /nfs/dbraw/zinc/16/12/49/325161249.db2.gz MOLAQAKFBNNASL-UHFFFAOYSA-N -1 3 234.252 0.750 20 0 BCADHM CN(CC1(O)CCC1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000544845948 325162950 /nfs/dbraw/zinc/16/29/50/325162950.db2.gz DSTOHPAELMRFPC-UHFFFAOYSA-N -1 3 248.290 0.068 20 0 BCADHM CN(CC1CCC1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000545473986 325223864 /nfs/dbraw/zinc/22/38/64/325223864.db2.gz NDWRHZLVKGPJTO-UHFFFAOYSA-N -1 3 232.291 0.953 20 0 BCADHM CN(CCCC(=O)[O-])C(=O)[C@@]1(C)CCCCN1 ZINC000133328098 325286329 /nfs/dbraw/zinc/28/63/29/325286329.db2.gz CWCJUIRUYYLNQG-GFCCVEGCSA-N -1 3 242.319 0.842 20 0 BCADHM O=S(=O)([N-]CCCF)c1c[nH]cn1 ZINC000134506976 325362272 /nfs/dbraw/zinc/36/22/72/325362272.db2.gz YAIUKSHRYXKFED-UHFFFAOYSA-N -1 3 207.230 0.048 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC[C@H]1CCCO1 ZINC000553158567 325678736 /nfs/dbraw/zinc/67/87/36/325678736.db2.gz DKLYHTHILOTBRL-LLVKDONJSA-N -1 3 236.271 0.625 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC1(CCO)CC1 ZINC000565212673 325876387 /nfs/dbraw/zinc/87/63/87/325876387.db2.gz CGYCGPIQSKDRQD-UHFFFAOYSA-N -1 3 236.271 0.361 20 0 BCADHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000566161280 326004307 /nfs/dbraw/zinc/00/43/07/326004307.db2.gz KVOQKGPCOFCDSY-MRVPVSSYSA-N -1 3 247.320 0.123 20 0 BCADHM Cc1cnc(C)nc1N(C)C[C@@H](C)c1nnn[n-]1 ZINC000567752652 326255350 /nfs/dbraw/zinc/25/53/50/326255350.db2.gz RWQMHBDYRQQWPI-MRVPVSSYSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1cnc(C)nc1N(C)C[C@@H](C)c1nn[n-]n1 ZINC000567752652 326255352 /nfs/dbraw/zinc/25/53/52/326255352.db2.gz RWQMHBDYRQQWPI-MRVPVSSYSA-N -1 3 247.306 0.846 20 0 BCADHM CO[C@@H]1C[C@H](C(=O)[O-])N(C[C@@H](O)C(C)C)C1 ZINC000568068697 326303554 /nfs/dbraw/zinc/30/35/54/326303554.db2.gz PUNDKRMTOCVQDF-OPRDCNLKSA-N -1 3 231.292 0.177 20 0 BCADHM CC[C@](C)(NCc1ncccc1[O-])C(N)=O ZINC000568165702 326317553 /nfs/dbraw/zinc/31/75/53/326317553.db2.gz VELHKDQAVTVXSW-NSHDSACASA-N -1 3 223.276 0.531 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCC(F)F ZINC000568233450 326330965 /nfs/dbraw/zinc/33/09/65/326330965.db2.gz OZMHSTVISBNPOX-UHFFFAOYSA-N -1 3 216.187 0.711 20 0 BCADHM C[C@@H](C(=O)[O-])C(=O)NCCN1CCCC[C@H]1C ZINC000568882158 326381291 /nfs/dbraw/zinc/38/12/91/326381291.db2.gz ROZVPWAWRLCMQT-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CC(F)(F)C1 ZINC000655393100 488004003 /nfs/dbraw/zinc/00/40/03/488004003.db2.gz VRFKGMUQNFUYRX-UHFFFAOYSA-N -1 3 228.198 0.807 20 0 BCADHM O=C([O-])CN(CC1CC1)C(=O)[C@H]1CCCCN1 ZINC000040483185 488029421 /nfs/dbraw/zinc/02/94/21/488029421.db2.gz COOLDOWEPQUKJS-SNVBAGLBSA-N -1 3 240.303 0.452 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)C1(N)CCCCC1 ZINC000044625270 488029681 /nfs/dbraw/zinc/02/96/81/488029681.db2.gz STOIREIBDOXHMU-VIFPVBQESA-N -1 3 242.319 0.970 20 0 BCADHM C[C@H]1CN(C(=O)C(=O)[O-])CCN(C2CC2)C1 ZINC000666078401 488030914 /nfs/dbraw/zinc/03/09/14/488030914.db2.gz YZXDULBQFJDBJK-MRVPVSSYSA-N -1 3 226.276 0.014 20 0 BCADHM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@H](C)O1 ZINC000661858786 488064346 /nfs/dbraw/zinc/06/43/46/488064346.db2.gz WAVULNWMZJRDFY-BDAKNGLRSA-N -1 3 240.307 0.108 20 0 BCADHM CCO[C@@H](C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673543407 488065548 /nfs/dbraw/zinc/06/55/48/488065548.db2.gz AFUXJESRXIFDMW-QMMMGPOBSA-N -1 3 241.291 0.184 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(C)C1 ZINC000258678933 488127303 /nfs/dbraw/zinc/12/73/03/488127303.db2.gz DFCKMDIBEJDQFU-ZJUUUORDSA-N -1 3 242.319 0.554 20 0 BCADHM COC(C)(C)CS(=O)(=O)[N-]Cc1cocn1 ZINC000685496962 487539187 /nfs/dbraw/zinc/53/91/87/487539187.db2.gz IMDANCMBEHEPJF-UHFFFAOYSA-N -1 3 248.304 0.519 20 0 BCADHM Cc1ccc(C(=O)NC2COC2)c([O-])c1 ZINC000094711015 487554564 /nfs/dbraw/zinc/55/45/64/487554564.db2.gz FCJYYAMLPPYRKP-UHFFFAOYSA-N -1 3 207.229 0.829 20 0 BCADHM C[C@@H](C(=O)Nc1ncccc1[O-])N(C)C ZINC000674244158 487532529 /nfs/dbraw/zinc/53/25/29/487532529.db2.gz GCDJBLZCYRGWJY-ZETCQYMHSA-N -1 3 209.249 0.676 20 0 BCADHM O=C([N-]c1cnns1)C(=O)N1CC=CCC1 ZINC000683241017 488136785 /nfs/dbraw/zinc/13/67/85/488136785.db2.gz UNLDCXZQALRHDM-UHFFFAOYSA-N -1 3 238.272 0.265 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)CN(CC)CC ZINC000653343177 487474648 /nfs/dbraw/zinc/47/46/48/487474648.db2.gz PPSUYQJJOKAFPF-VIFPVBQESA-N -1 3 230.308 0.650 20 0 BCADHM CC(C)OCCS(=O)(=O)[N-]Cc1cocn1 ZINC000673983444 487494088 /nfs/dbraw/zinc/49/40/88/487494088.db2.gz XWOITGRISZCAMZ-UHFFFAOYSA-N -1 3 248.304 0.519 20 0 BCADHM C[C@H](Cn1cncn1)NCc1ncccc1[O-] ZINC000685421803 487519869 /nfs/dbraw/zinc/51/98/69/487519869.db2.gz WONFFPWLJBKHQN-SECBINFHSA-N -1 3 233.275 0.557 20 0 BCADHM Cc1ccc([O-])c(CN2CCNC(=O)C[C@@H]2C)n1 ZINC000685469650 487534039 /nfs/dbraw/zinc/53/40/39/487534039.db2.gz PRKBZRFIVPVJQG-JTQLQIEISA-N -1 3 249.314 0.806 20 0 BCADHM C[C@H](C(=O)Nc1nnn[n-]1)[C@@H](N)c1ccccc1 ZINC000237476470 488151578 /nfs/dbraw/zinc/15/15/78/488151578.db2.gz JTIFIAYNYLJWHN-IONNQARKSA-N -1 3 246.274 0.474 20 0 BCADHM CCCNC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000054300123 488242366 /nfs/dbraw/zinc/24/23/66/488242366.db2.gz VWKMOQQFMXAXBX-JTQLQIEISA-N -1 3 242.319 0.699 20 0 BCADHM Cc1ccncc1[C@H](C)NC(=O)c1c[n-]nn1 ZINC000678419902 488254309 /nfs/dbraw/zinc/25/43/09/488254309.db2.gz ZWMYVYJZMUNTIZ-QMMMGPOBSA-N -1 3 231.259 0.999 20 0 BCADHM Cc1ccncc1[C@H](C)NC(=O)c1cnn[n-]1 ZINC000678419902 488254312 /nfs/dbraw/zinc/25/43/12/488254312.db2.gz ZWMYVYJZMUNTIZ-QMMMGPOBSA-N -1 3 231.259 0.999 20 0 BCADHM Cc1ccncc1[C@H](C)NC(=O)c1cn[n-]n1 ZINC000678419902 488254314 /nfs/dbraw/zinc/25/43/14/488254314.db2.gz ZWMYVYJZMUNTIZ-QMMMGPOBSA-N -1 3 231.259 0.999 20 0 BCADHM Cc1ccc(NC(=O)Cn2cncn2)c([O-])c1 ZINC000040430648 488260807 /nfs/dbraw/zinc/26/08/07/488260807.db2.gz SMFQUCCEJRACPD-UHFFFAOYSA-N -1 3 232.243 0.931 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCCCN2C)[n-]1 ZINC000679319657 488334520 /nfs/dbraw/zinc/33/45/20/488334520.db2.gz QZVVQEPHNAFHFN-SSDOTTSWSA-N -1 3 239.279 0.236 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCCCN2C)n[n-]1 ZINC000679319657 488334522 /nfs/dbraw/zinc/33/45/22/488334522.db2.gz QZVVQEPHNAFHFN-SSDOTTSWSA-N -1 3 239.279 0.236 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCCCN2C)n1 ZINC000679319657 488334525 /nfs/dbraw/zinc/33/45/25/488334525.db2.gz QZVVQEPHNAFHFN-SSDOTTSWSA-N -1 3 239.279 0.236 20 0 BCADHM CC[C@H](C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673544089 488295393 /nfs/dbraw/zinc/29/53/93/488295393.db2.gz OBQYDCLMTGGXMB-QMMMGPOBSA-N -1 3 225.292 0.805 20 0 BCADHM CC(C)OCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673543929 488295436 /nfs/dbraw/zinc/29/54/36/488295436.db2.gz LPCBRKUBQNQUOZ-UHFFFAOYSA-N -1 3 241.291 0.184 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccon1 ZINC000673546599 488295457 /nfs/dbraw/zinc/29/54/57/488295457.db2.gz SZBXPOMHXHNZMU-UHFFFAOYSA-N -1 3 236.231 0.061 20 0 BCADHM Cc1nccc(C(=O)NCc2ncccc2[O-])n1 ZINC000684350194 488298557 /nfs/dbraw/zinc/29/85/57/488298557.db2.gz HTNZRLFZDKVEFC-UHFFFAOYSA-N -1 3 244.254 0.816 20 0 BCADHM C[C@@H](O)CN(C(=O)c1csc(=O)[n-]1)C1CC1 ZINC000655373015 490331608 /nfs/dbraw/zinc/33/16/08/490331608.db2.gz CENJVIWEAFVVOO-ZCFIWIBFSA-N -1 3 242.300 0.834 20 0 BCADHM O=c1[n-]c(CN2C[C@@H]3CCC[C@@H]3C2)n[nH]1 ZINC000092619086 490359389 /nfs/dbraw/zinc/35/93/89/490359389.db2.gz CLELMIOSNICGOE-OCAPTIKFSA-N -1 3 208.265 0.330 20 0 BCADHM O=C(NCCn1ccnn1)c1c([O-])cccc1O ZINC000227995091 491086684 /nfs/dbraw/zinc/08/66/84/491086684.db2.gz JCYRODFNMQBJTL-UHFFFAOYSA-N -1 3 248.242 0.119 20 0 BCADHM CCC[C@](C)(N)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000087513148 491089540 /nfs/dbraw/zinc/08/95/40/491089540.db2.gz MKCREEFPYAHZJA-CABZTGNLSA-N -1 3 244.335 0.977 20 0 BCADHM CCC[C@@](C)(N)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000087513150 491089544 /nfs/dbraw/zinc/08/95/44/491089544.db2.gz MKCREEFPYAHZJA-JOYOIKCWSA-N -1 3 244.335 0.977 20 0 BCADHM CCC[C@@](C)(N)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000087513155 491089550 /nfs/dbraw/zinc/08/95/50/491089550.db2.gz MKCREEFPYAHZJA-BXKDBHETSA-N -1 3 244.335 0.977 20 0 BCADHM Cc1ccc([O-])c(CN2CCC(=O)N(C)CC2)n1 ZINC000668620275 491128855 /nfs/dbraw/zinc/12/88/55/491128855.db2.gz GDKDLJQRTUVPLA-UHFFFAOYSA-N -1 3 249.314 0.760 20 0 BCADHM CCn1nccc1C(=O)Nc1nnc(OC)[n-]1 ZINC000131995303 491134468 /nfs/dbraw/zinc/13/44/68/491134468.db2.gz PGKFFUBWXYVKDJ-UHFFFAOYSA-N -1 3 236.235 0.282 20 0 BCADHM CCn1nccc1C(=O)Nc1n[n-]c(OC)n1 ZINC000131995303 491134469 /nfs/dbraw/zinc/13/44/69/491134469.db2.gz PGKFFUBWXYVKDJ-UHFFFAOYSA-N -1 3 236.235 0.282 20 0 BCADHM CCn1nccc1C(=O)Nc1nc(OC)n[n-]1 ZINC000131995303 491134470 /nfs/dbraw/zinc/13/44/70/491134470.db2.gz PGKFFUBWXYVKDJ-UHFFFAOYSA-N -1 3 236.235 0.282 20 0 BCADHM CC(C)(CO)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000082271706 491141792 /nfs/dbraw/zinc/14/17/92/491141792.db2.gz MPBRYJWXDMVSIO-UHFFFAOYSA-N -1 3 248.286 0.706 20 0 BCADHM COc1ccccc1/C=C\C(=O)[N-]OCCO ZINC000492744277 533957046 /nfs/dbraw/zinc/95/70/46/533957046.db2.gz QCHSCLYCAQQFQQ-SREVYHEPSA-N -1 3 237.255 0.749 20 0 BCADHM CCn1nnnc1[N-]C(=O)C(C)=C(C)C ZINC000891338892 582666756 /nfs/dbraw/zinc/66/67/56/582666756.db2.gz CUDJPNMLSWUINK-UHFFFAOYSA-N -1 3 209.253 0.988 20 0 BCADHM C[C@@H]1OC(=O)N[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000496460720 534137630 /nfs/dbraw/zinc/13/76/30/534137630.db2.gz SMJMTKRDDMWRLW-RCOVLWMOSA-N -1 3 236.227 0.828 20 0 BCADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000084889275 534427860 /nfs/dbraw/zinc/42/78/60/534427860.db2.gz UZOQHQUMHITTJL-UHFFFAOYSA-N -1 3 245.304 0.303 20 0 BCADHM CC(=O)N[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000253490108 534530453 /nfs/dbraw/zinc/53/04/53/534530453.db2.gz HNJYUHLDPQARLO-ZETCQYMHSA-N -1 3 222.244 0.855 20 0 BCADHM CC(C)(NC(=O)/C=C/c1cncc([O-])c1)C(N)=O ZINC000492477784 527264753 /nfs/dbraw/zinc/26/47/53/527264753.db2.gz WCOVFXOZMJRRFI-ONEGZZNKSA-N -1 3 249.270 0.181 20 0 BCADHM CCO/C=C/C(=O)NCc1ncccc1[O-] ZINC000493073213 528486487 /nfs/dbraw/zinc/48/64/87/528486487.db2.gz RULFLTSTNBLWMK-FNORWQNLSA-N -1 3 222.244 0.954 20 0 BCADHM CCCO[N-]C(=O)/C=C/c1ccnn1C ZINC000493570508 528600160 /nfs/dbraw/zinc/60/01/60/528600160.db2.gz ZKVZXOGVECORPW-SNAWJCMRSA-N -1 3 209.249 0.891 20 0 BCADHM CCCO[N-]C(=O)/C=C/c1cnc(OC)nc1 ZINC000493479813 528600190 /nfs/dbraw/zinc/60/01/90/528600190.db2.gz FBLBOWBHPCXDJB-SNAWJCMRSA-N -1 3 237.259 0.956 20 0 BCADHM CCCO[N-]C(=O)CCCNC(=O)OC ZINC000496611690 528600492 /nfs/dbraw/zinc/60/04/92/528600492.db2.gz YQAVFQLAPDQGSX-UHFFFAOYSA-N -1 3 218.253 0.580 20 0 BCADHM CCOC([O-])=NOCCC1OCCO1 ZINC000496098093 529082421 /nfs/dbraw/zinc/08/24/21/529082421.db2.gz BMVLPXCJOJSHBD-UHFFFAOYSA-N -1 3 205.210 0.427 20 0 BCADHM CCOC(=O)[N-]OCCC1OCCO1 ZINC000496098093 529082425 /nfs/dbraw/zinc/08/24/25/529082425.db2.gz BMVLPXCJOJSHBD-UHFFFAOYSA-N -1 3 205.210 0.427 20 0 BCADHM CCCCn1c(=O)[n-]nc1SC[C@H](C)O ZINC000193069834 535132471 /nfs/dbraw/zinc/13/24/71/535132471.db2.gz WNLOXYUNFLRFJT-ZETCQYMHSA-N -1 3 231.321 0.844 20 0 BCADHM CCCNC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179386019 535155423 /nfs/dbraw/zinc/15/54/23/535155423.db2.gz POBYUINAHMKDHZ-UHFFFAOYSA-N -1 3 234.259 0.814 20 0 BCADHM CC[C@@H](C)C(=O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000087536592 535455287 /nfs/dbraw/zinc/45/52/87/535455287.db2.gz XQFBGZKARJLASO-ZCFIWIBFSA-N -1 3 244.678 0.805 20 0 BCADHM CC[C@@H](C)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000174576331 535460952 /nfs/dbraw/zinc/46/09/52/535460952.db2.gz YYERIIFAQGSDRO-SSDOTTSWSA-N -1 3 226.280 0.193 20 0 BCADHM COC[C@@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000342564020 536741973 /nfs/dbraw/zinc/74/19/73/536741973.db2.gz FBSWKUTUOOVWON-SECBINFHSA-N -1 3 240.307 0.759 20 0 BCADHM Cc1ccncc1/C=C/C(=O)[N-]OCCCO ZINC000493216423 566346555 /nfs/dbraw/zinc/34/65/55/566346555.db2.gz DYSGFPSNOVWSFX-ONEGZZNKSA-N -1 3 236.271 0.833 20 0 BCADHM C[C@@](NC(=O)[C@@H]1C[C@@H]1N)(C(=O)[O-])c1ccccc1 ZINC000853059568 588718177 /nfs/dbraw/zinc/71/81/77/588718177.db2.gz FISFZUXFLPPQDK-NRUUGDAUSA-N -1 3 248.282 0.450 20 0 BCADHM CO[C@H](CO[N-]C(C)=O)[C@@H]1CCOC1 ZINC000853660809 588753682 /nfs/dbraw/zinc/75/36/82/588753682.db2.gz FXSUDSCZCJJVEJ-RKDXNWHRSA-N -1 3 203.238 0.106 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1nc(C(N)=O)cs1 ZINC000853849163 588765852 /nfs/dbraw/zinc/76/58/52/588765852.db2.gz HUTNZNJXSLSBFR-UHFFFAOYSA-N -1 3 249.242 0.513 20 0 BCADHM CC(C)[C@@H](F)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854485996 588789270 /nfs/dbraw/zinc/78/92/70/588789270.db2.gz ITDHWXSCLQLTLZ-SNVBAGLBSA-N -1 3 243.282 0.753 20 0 BCADHM CC=CC=CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854488444 588789292 /nfs/dbraw/zinc/78/92/92/588789292.db2.gz VGWAVAGVUWEJBB-SWBALALESA-N -1 3 235.287 0.891 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H]1C(=O)NCC[C@@H]1C ZINC000854335896 588784591 /nfs/dbraw/zinc/78/45/91/588784591.db2.gz KBGDUUDJYPVVNB-BQBZGAKWSA-N -1 3 234.246 0.673 20 0 BCADHM CN1CCC(O[N-]C(=O)Cc2ccon2)CC1 ZINC000854357241 588784749 /nfs/dbraw/zinc/78/47/49/588784749.db2.gz VRAUKQQRWMSZRN-UHFFFAOYSA-N -1 3 239.275 0.359 20 0 BCADHM CN1CCC(O[N-]C(=O)C(=O)C(C)(C)C)CC1 ZINC000854356966 588784866 /nfs/dbraw/zinc/78/48/66/588784866.db2.gz LNOASJFTUGEWQJ-UHFFFAOYSA-N -1 3 242.319 0.744 20 0 BCADHM Cc1ccc(C(=O)N2CCCNC(=O)C2)c([O-])c1 ZINC000112210150 588786195 /nfs/dbraw/zinc/78/61/95/588786195.db2.gz XZSWKVOOVXDKJO-UHFFFAOYSA-N -1 3 248.282 0.663 20 0 BCADHM O=C(c1cc2n[n-]nc2cc1F)N1CCCCN1 ZINC000854428343 588786754 /nfs/dbraw/zinc/78/67/54/588786754.db2.gz RQZREAFMEKAVGX-UHFFFAOYSA-N -1 3 249.249 0.838 20 0 BCADHM COC(OC)[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000854462295 588787888 /nfs/dbraw/zinc/78/78/88/588787888.db2.gz HQXQKBVTDREKDR-RXMQYKEDSA-N -1 3 246.288 0.586 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H](CF)C(=O)OC ZINC000854474455 588788989 /nfs/dbraw/zinc/78/89/89/588788989.db2.gz LDOYILYOXRHRCI-RXMQYKEDSA-N -1 3 227.182 0.659 20 0 BCADHM CCc1cc(C(=O)N[C@@H]2COC(=O)C2)ccc1[O-] ZINC000854555067 588794083 /nfs/dbraw/zinc/79/40/83/588794083.db2.gz XYRXHLFSYZQKLY-JTQLQIEISA-N -1 3 249.266 1.000 20 0 BCADHM CCn1ncn([N-]C(=O)[C@H](F)C(C)C)c1=O ZINC000854629336 588797957 /nfs/dbraw/zinc/79/79/57/588797957.db2.gz UQACQUDWTZWJQR-SSDOTTSWSA-N -1 3 230.243 0.129 20 0 BCADHM C[C@H](CC(=O)[N-]OCCN(C)C)[C@H]1CCCO1 ZINC000854690614 588801644 /nfs/dbraw/zinc/80/16/44/588801644.db2.gz DIWHIPGMAMJATN-GHMZBOCLSA-N -1 3 244.335 0.801 20 0 BCADHM Cc1ccoc1CC(=O)[N-]OCCN(C)C ZINC000854690964 588801689 /nfs/dbraw/zinc/80/16/89/588801689.db2.gz RUKIDHNIZQWJMF-UHFFFAOYSA-N -1 3 226.276 0.740 20 0 BCADHM CO[C@H](C(=O)[N-]OCCN(C)C)C1CCC1 ZINC000854690916 588801761 /nfs/dbraw/zinc/80/17/61/588801761.db2.gz PWVICERHESFCLK-JTQLQIEISA-N -1 3 230.308 0.411 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CCOCCN1 ZINC000854691584 588801906 /nfs/dbraw/zinc/80/19/06/588801906.db2.gz OVJDJBRKXIKOOE-OWOJBTEDSA-N -1 3 249.270 0.164 20 0 BCADHM Cc1ccncc1CC(=O)[N-]OC(C)(C)CO ZINC000854755103 588805578 /nfs/dbraw/zinc/80/55/78/588805578.db2.gz TYNKDENYHLKTKJ-UHFFFAOYSA-N -1 3 238.287 0.751 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CCc1ccon1 ZINC000854829515 588812711 /nfs/dbraw/zinc/81/27/11/588812711.db2.gz DFEUMKGIANSNJX-JTQLQIEISA-N -1 3 242.275 0.672 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCC12COC2 ZINC000854838533 588812839 /nfs/dbraw/zinc/81/28/39/588812839.db2.gz NBEXMDQMJCPWIF-UPHRSURJSA-N -1 3 246.266 0.802 20 0 BCADHM CN(C)CCO[N-]C(=O)Cc1ncccc1F ZINC000854945425 588818004 /nfs/dbraw/zinc/81/80/04/588818004.db2.gz PTMQKHWBNORGSR-UHFFFAOYSA-N -1 3 241.266 0.373 20 0 BCADHM CCOCCO[C@@H](C)C(=O)[N-]OCCN(C)C ZINC000854947277 588818325 /nfs/dbraw/zinc/81/83/25/588818325.db2.gz NYNMKZFFXIXBCN-JTQLQIEISA-N -1 3 248.323 0.037 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-][C@H]1CCNC1=O ZINC000855143162 588823633 /nfs/dbraw/zinc/82/36/33/588823633.db2.gz VOWLFZMNMWXPLF-BYPYZUCNSA-N -1 3 225.075 0.185 20 0 BCADHM O=C(NCc1ccc(CCO)cc1)c1c[n-]nn1 ZINC000890635588 582489673 /nfs/dbraw/zinc/48/96/73/582489673.db2.gz XGYZEJRQIOXZHH-UHFFFAOYSA-N -1 3 246.270 0.270 20 0 BCADHM O=C(NCc1ccc(CCO)cc1)c1cnn[n-]1 ZINC000890635588 582489674 /nfs/dbraw/zinc/48/96/74/582489674.db2.gz XGYZEJRQIOXZHH-UHFFFAOYSA-N -1 3 246.270 0.270 20 0 BCADHM O=C(NCc1ccc(CCO)cc1)c1cn[n-]n1 ZINC000890635588 582489676 /nfs/dbraw/zinc/48/96/76/582489676.db2.gz XGYZEJRQIOXZHH-UHFFFAOYSA-N -1 3 246.270 0.270 20 0 BCADHM O=C(NCC[C@H](O)C1CC1)c1csc(=O)[n-]1 ZINC000890719312 582515389 /nfs/dbraw/zinc/51/53/89/582515389.db2.gz DPPQGVGRTQYAPH-QMMMGPOBSA-N -1 3 242.300 0.740 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC000844086103 582568536 /nfs/dbraw/zinc/56/85/36/582568536.db2.gz MHNDMTBFPBUFRG-SECBINFHSA-N -1 3 238.291 0.607 20 0 BCADHM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1cc(=O)[n-]cn1 ZINC000891034587 582597849 /nfs/dbraw/zinc/59/78/49/582597849.db2.gz OGAWSLGRSOAWAM-PSASIEDQSA-N -1 3 249.270 0.337 20 0 BCADHM CCn1nnnc1[N-]C(=O)/C=C\C1CC1 ZINC000891339742 582666923 /nfs/dbraw/zinc/66/69/23/582666923.db2.gz JXYKCHBZOQZKBK-WAYWQWQTSA-N -1 3 207.237 0.598 20 0 BCADHM CCn1nnnc1[N-]C(=O)Cc1ccc(C)o1 ZINC000891340167 582667005 /nfs/dbraw/zinc/66/70/05/582667005.db2.gz OOVKAPZVSBVPFC-UHFFFAOYSA-N -1 3 235.247 0.776 20 0 BCADHM CCn1nnnc1[N-]C(=O)C[C@@H](C)SC ZINC000891339989 582667054 /nfs/dbraw/zinc/66/70/54/582667054.db2.gz MOXPKNGXNNVHKS-ZCFIWIBFSA-N -1 3 229.309 0.773 20 0 BCADHM CC[C@H]1CC[C@H](C(=O)[N-]c2nnnn2CC)O1 ZINC000891340932 582667569 /nfs/dbraw/zinc/66/75/69/582667569.db2.gz VIKDLUBUSKVLRH-JGVFFNPUSA-N -1 3 239.279 0.589 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@H]1CCCS1 ZINC000891341231 582667694 /nfs/dbraw/zinc/66/76/94/582667694.db2.gz WKJHVPBZJBKUBK-LURJTMIESA-N -1 3 227.293 0.527 20 0 BCADHM CCn1nnnc1[N-]C(=O)CCC(F)(F)F ZINC000891341388 582667778 /nfs/dbraw/zinc/66/77/78/582667778.db2.gz ZNBUSVNCVSBECY-UHFFFAOYSA-N -1 3 237.185 0.974 20 0 BCADHM C[C@H](Nc1cc(=O)[n-]cn1)c1nnc2n1CCC2 ZINC000891678926 582709249 /nfs/dbraw/zinc/70/92/49/582709249.db2.gz NXSAMKGIJXBHEN-ZETCQYMHSA-N -1 3 246.274 0.893 20 0 BCADHM O=C([N-]c1ccon1)c1cn(CC2CC2)nn1 ZINC000891693478 582710676 /nfs/dbraw/zinc/71/06/76/582710676.db2.gz CKHSWWDPXLDFME-UHFFFAOYSA-N -1 3 233.231 0.928 20 0 BCADHM CC[C@@H](O)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000855743335 588846556 /nfs/dbraw/zinc/84/65/56/588846556.db2.gz AMEYPXYFDXJLHB-UMBAGQNISA-N -1 3 236.271 0.688 20 0 BCADHM CCn1ncc([N-]S(C)(=O)=O)c1C ZINC000014249140 582795888 /nfs/dbraw/zinc/79/58/88/582795888.db2.gz XAGWQANZFBVCMC-UHFFFAOYSA-N -1 3 203.267 0.583 20 0 BCADHM O=c1cc(N2CCN(CC(F)F)CC2)nc[n-]1 ZINC000892138857 582798458 /nfs/dbraw/zinc/79/84/58/582798458.db2.gz SYTBPDQGJZNUMM-UHFFFAOYSA-N -1 3 244.245 0.569 20 0 BCADHM CN(Cc1ccc([O-])c(F)c1)[C@@H]1CCNC1=O ZINC000892241275 582812103 /nfs/dbraw/zinc/81/21/03/582812103.db2.gz KQGVQYLFLRCFSJ-SNVBAGLBSA-N -1 3 238.262 0.852 20 0 BCADHM Cc1nc2n(n1)C[C@H](Nc1cc(=O)[n-]cn1)CC2 ZINC000892285954 582827058 /nfs/dbraw/zinc/82/70/58/582827058.db2.gz BFNVOKHJGNHXBS-MRVPVSSYSA-N -1 3 246.274 0.509 20 0 BCADHM Cc1cccc(C(=O)N2CC[C@H]2CO)c1[O-] ZINC000889132346 582831471 /nfs/dbraw/zinc/83/14/71/582831471.db2.gz HJQDIAVXHOSJEL-VIFPVBQESA-N -1 3 221.256 0.907 20 0 BCADHM O=C(CC1CC1)[N-]OCCN1CCCC1=O ZINC000856037815 588858290 /nfs/dbraw/zinc/85/82/90/588858290.db2.gz PLXHCGIKWAQTNQ-UHFFFAOYSA-N -1 3 226.276 0.457 20 0 BCADHM CCn1cnnc1CCNc1cc(=O)[n-]c(C)n1 ZINC000892584320 582921608 /nfs/dbraw/zinc/92/16/08/582921608.db2.gz JBMFRFGBFOOTAA-UHFFFAOYSA-N -1 3 248.290 0.757 20 0 BCADHM C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(C)(C)O ZINC000394003961 582939387 /nfs/dbraw/zinc/93/93/87/582939387.db2.gz JXRGZWHEQPGGNI-SSDOTTSWSA-N -1 3 248.286 0.847 20 0 BCADHM CC1=NC(=O)NC1C(=O)[N-]OCC1CCC1 ZINC000856344266 588867356 /nfs/dbraw/zinc/86/73/56/588867356.db2.gz LKKJEUAHBCCGMV-UHFFFAOYSA-N -1 3 225.248 0.885 20 0 BCADHM CC[C@@H](O)CC(=O)[N-]OCC1CCC1 ZINC000856351569 588870272 /nfs/dbraw/zinc/87/02/72/588870272.db2.gz JHONAOZMCOYCLP-SECBINFHSA-N -1 3 201.266 0.995 20 0 BCADHM Cn1cc([C@H](CO)Nc2cc(=O)[n-]cn2)cn1 ZINC000892995426 583026947 /nfs/dbraw/zinc/02/69/47/583026947.db2.gz RIYOMLXNCRDOEW-QMMMGPOBSA-N -1 3 235.247 0.061 20 0 BCADHM Cn1cnnc1[C@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000893071810 583041414 /nfs/dbraw/zinc/04/14/14/583041414.db2.gz ULNXDOARVAIAPH-MRVPVSSYSA-N -1 3 246.274 0.652 20 0 BCADHM CCO[C@@H]1C[C@H](Nc2cc(=O)[n-]cn2)[C@H]1OC ZINC000893179319 583064870 /nfs/dbraw/zinc/06/48/70/583064870.db2.gz ORGHRUILBBBWMO-VAOFZXAKSA-N -1 3 239.275 0.787 20 0 BCADHM C/C=C\C[C@@H](CO)Nc1cc(=O)[n-]cn1 ZINC000893228736 583075060 /nfs/dbraw/zinc/07/50/60/583075060.db2.gz DUFOFZHUPSYOIY-KZUAUGPASA-N -1 3 209.249 0.921 20 0 BCADHM O=c1cc(N[C@H]2CCn3ccnc3C2)nc[n-]1 ZINC000893264429 583080535 /nfs/dbraw/zinc/08/05/35/583080535.db2.gz DBOMMOUIMORSJT-QMMMGPOBSA-N -1 3 231.259 0.806 20 0 BCADHM O=C([N-]OCC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000856343661 588868373 /nfs/dbraw/zinc/86/83/73/588868373.db2.gz UQGDNDWLVWLARU-VIFPVBQESA-N -1 3 247.316 0.269 20 0 BCADHM NC(=O)CCCC(=O)[N-]OCC1CCC1 ZINC000856346840 588868987 /nfs/dbraw/zinc/86/89/87/588868987.db2.gz QSCJHGMMEGXKMI-UHFFFAOYSA-N -1 3 214.265 0.490 20 0 BCADHM C[C@@H]1C[C@H](C(=O)[N-]OC(C)(C)CO)CCO1 ZINC000857285161 583136982 /nfs/dbraw/zinc/13/69/82/583136982.db2.gz ZIRFFOLVQFYNIQ-RKDXNWHRSA-N -1 3 231.292 0.620 20 0 BCADHM Cc1nc(NC[C@H](C)c2nncn2C)cc(=O)[n-]1 ZINC000893400450 583137008 /nfs/dbraw/zinc/13/70/08/583137008.db2.gz DAUWZPLLFVSCNM-ZETCQYMHSA-N -1 3 248.290 0.835 20 0 BCADHM O=c1cc(N2CCN(c3ncc[nH]3)CC2)nc[n-]1 ZINC000893520408 583156089 /nfs/dbraw/zinc/15/60/89/583156089.db2.gz RIZPCOVTRYDCOX-UHFFFAOYSA-N -1 3 246.274 0.232 20 0 BCADHM CC1(CN2CCC[C@H](NC(=O)[O-])C2)COC1 ZINC000737733492 583162067 /nfs/dbraw/zinc/16/20/67/583162067.db2.gz QFKCBEWSXAVVAO-VIFPVBQESA-N -1 3 228.292 0.755 20 0 BCADHM CC(C)CNC(=O)[C@@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000218288982 583173149 /nfs/dbraw/zinc/17/31/49/583173149.db2.gz UPZLHZKGMCISJD-NXEZZACHSA-N -1 3 242.319 0.554 20 0 BCADHM C[C@@]1(C(=O)[N-]OCC(N)=O)CC=CCC1 ZINC000857168867 588891472 /nfs/dbraw/zinc/89/14/72/588891472.db2.gz HDIKVBDLYDHEDB-SNVBAGLBSA-N -1 3 212.249 0.266 20 0 BCADHM CCO[N-]C(=O)CNCc1ccccc1OC ZINC000857262194 588901941 /nfs/dbraw/zinc/90/19/41/588901941.db2.gz GSZZNDALJOWNEY-UHFFFAOYSA-N -1 3 238.287 0.853 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000857284018 588902980 /nfs/dbraw/zinc/90/29/80/588902980.db2.gz SXEGIAYYQPDNRT-DJLDLDEBSA-N -1 3 241.287 0.420 20 0 BCADHM CC(C)(CO)O[N-]C(=O)c1ccncc1F ZINC000857284565 588903188 /nfs/dbraw/zinc/90/31/88/588903188.db2.gz DLARBMRUZDLTRE-UHFFFAOYSA-N -1 3 228.223 0.653 20 0 BCADHM Cc1nc(N2CN(C)C(=O)[C@@H]2C)cc(=O)[n-]1 ZINC000894362184 583437848 /nfs/dbraw/zinc/43/78/48/583437848.db2.gz BMMIBENQBQENCH-LURJTMIESA-N -1 3 222.248 0.115 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCC(F)F ZINC000857284602 588903561 /nfs/dbraw/zinc/90/35/61/588903561.db2.gz OEYIZKFWLCHAOK-UHFFFAOYSA-N -1 3 211.208 0.850 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCn1cccn1 ZINC000857285143 588903749 /nfs/dbraw/zinc/90/37/49/588903749.db2.gz SLGWWKVEMZAJAR-UHFFFAOYSA-N -1 3 227.264 0.092 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000857286309 588903815 /nfs/dbraw/zinc/90/38/15/588903815.db2.gz XPWRWCLSRQFYCG-MXWKQRLJSA-N -1 3 245.319 0.866 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CCCCC(N)=O ZINC000857285886 588903915 /nfs/dbraw/zinc/90/39/15/588903915.db2.gz MYCPYFAFSMVDCE-SECBINFHSA-N -1 3 246.307 0.097 20 0 BCADHM Cn1nnc2c1CC[C@@H](Nc1cc(=O)[n-]cn1)C2 ZINC000894431994 583458106 /nfs/dbraw/zinc/45/81/06/583458106.db2.gz MHKDRNIQTPMIGZ-SSDOTTSWSA-N -1 3 246.274 0.280 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CCOC[C@@H]1C ZINC000857286034 588903975 /nfs/dbraw/zinc/90/39/75/588903975.db2.gz QLGBIWZASUTOCY-AXFHLTTASA-N -1 3 245.319 0.724 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CCc1ncc[nH]1 ZINC000857285643 588904041 /nfs/dbraw/zinc/90/40/41/588904041.db2.gz HXZHKRARSZKAKJ-SECBINFHSA-N -1 3 241.291 0.407 20 0 BCADHM CO[C@@H](CNc1cc(=O)[n-]cn1)[C@H]1CCOC1 ZINC000894482656 583469126 /nfs/dbraw/zinc/46/91/26/583469126.db2.gz DNPCTGPCMAWITR-IUCAKERBSA-N -1 3 239.275 0.646 20 0 BCADHM C[C@@H]1C[C@H](Nc2cc(=O)[n-]cn2)c2ncnn21 ZINC000894493089 583473440 /nfs/dbraw/zinc/47/34/40/583473440.db2.gz SKIPHGSGEKUQGO-RQJHMYQMSA-N -1 3 232.247 0.892 20 0 BCADHM O=c1cc(N2CC[C@H](O)C(F)(F)C2)nc[n-]1 ZINC000894523222 583477339 /nfs/dbraw/zinc/47/73/39/583477339.db2.gz CNNHOQCVYAVAQB-LURJTMIESA-N -1 3 231.202 0.389 20 0 BCADHM CN(C[C@@H]1COCCO1)c1cc(=O)[n-]cn1 ZINC000894546156 583480946 /nfs/dbraw/zinc/48/09/46/583480946.db2.gz UYIKLXFSRIBGBJ-MRVPVSSYSA-N -1 3 225.248 0.034 20 0 BCADHM Cc1nc(N(C)C[C@@H]2COCCO2)cc(=O)[n-]1 ZINC000894544233 583481690 /nfs/dbraw/zinc/48/16/90/583481690.db2.gz COELQNDQFZTCST-SECBINFHSA-N -1 3 239.275 0.342 20 0 BCADHM COCc1nc(NCCOCCF)cc(=O)[n-]1 ZINC000894649240 583500307 /nfs/dbraw/zinc/50/03/07/583500307.db2.gz MOOUKETUNVELOY-UHFFFAOYSA-N -1 3 245.254 0.727 20 0 BCADHM Cc1nc(NC[C@H](O)[C@@H]2CCCO2)cc(=O)[n-]1 ZINC000894722822 583514633 /nfs/dbraw/zinc/51/46/33/583514633.db2.gz CQUHFKOLYMAPPA-IUCAKERBSA-N -1 3 239.275 0.442 20 0 BCADHM Cc1nc(NC[C@@H](O)[C@@H]2CCCO2)cc(=O)[n-]1 ZINC000894722820 583514906 /nfs/dbraw/zinc/51/49/06/583514906.db2.gz CQUHFKOLYMAPPA-BDAKNGLRSA-N -1 3 239.275 0.442 20 0 BCADHM Cc1nonc1CNc1cc(=O)[n-]cn1 ZINC000895092807 583587153 /nfs/dbraw/zinc/58/71/53/583587153.db2.gz XDFJHABXCHHJJN-UHFFFAOYSA-N -1 3 207.193 0.486 20 0 BCADHM CN1CCN(CC2CCN(C(=O)[O-])CC2)CC1 ZINC000141645298 583598533 /nfs/dbraw/zinc/59/85/33/583598533.db2.gz JDMIGCQRPPKWAX-UHFFFAOYSA-N -1 3 241.335 0.624 20 0 BCADHM Cc1ncsc1Cn1c([O-])coc1=O ZINC000882276286 583603394 /nfs/dbraw/zinc/60/33/94/583603394.db2.gz MEKMDLYDYLLRTP-UHFFFAOYSA-N -1 3 212.230 0.930 20 0 BCADHM CCO[N-]C(=O)CN[C@@H]1CCc2cccnc21 ZINC000895148371 583605493 /nfs/dbraw/zinc/60/54/93/583605493.db2.gz GNGXKYJTEJVZRY-SNVBAGLBSA-N -1 3 235.287 0.726 20 0 BCADHM O=c1cc(N2C[C@@H]3CSC[C@@H]3C2)nc[n-]1 ZINC000895206109 583625632 /nfs/dbraw/zinc/62/56/32/583625632.db2.gz BMXCGXOOFFXJNH-OCAPTIKFSA-N -1 3 223.301 0.981 20 0 BCADHM CO[N-]C(=O)CC[C@H]1CC[C@H](C2OCCO2)O1 ZINC000895622096 583696967 /nfs/dbraw/zinc/69/69/67/583696967.db2.gz GOUMYXRAOLOWST-RKDXNWHRSA-N -1 3 245.275 0.365 20 0 BCADHM COCc1nc(NC[C@@H]2CCN2C)cc(=O)[n-]1 ZINC000895766551 583719128 /nfs/dbraw/zinc/71/91/28/583719128.db2.gz FJIXHHJVHIWXJE-QMMMGPOBSA-N -1 3 238.291 0.445 20 0 BCADHM CN1CC[C@@H]1CNc1cc(Cl)n[n-]c1=O ZINC000895767695 583723352 /nfs/dbraw/zinc/72/33/52/583723352.db2.gz PPXSENUJPXZOBX-ZCFIWIBFSA-N -1 3 228.683 0.952 20 0 BCADHM O=C1C[C@H](CCNc2cc(=O)[n-]cn2)CN1 ZINC000896132884 583774220 /nfs/dbraw/zinc/77/42/20/583774220.db2.gz CDFYFTJMRIFULM-ZETCQYMHSA-N -1 3 222.248 0.120 20 0 BCADHM O=c1cc(NCCOC2CCOCC2)nc[n-]1 ZINC000896459976 583803725 /nfs/dbraw/zinc/80/37/25/583803725.db2.gz HRUUCGXIELOLEM-UHFFFAOYSA-N -1 3 239.275 0.790 20 0 BCADHM CCOCCOCCNc1cc(=O)[n-]cn1 ZINC000896482156 583806083 /nfs/dbraw/zinc/80/60/83/583806083.db2.gz VKFDQAXJJHCUSQ-UHFFFAOYSA-N -1 3 227.264 0.647 20 0 BCADHM CCc1cc(C(=O)[N-]c2n[nH]c(C)n2)no1 ZINC000896529999 583808585 /nfs/dbraw/zinc/80/85/85/583808585.db2.gz OLASXCHHEFQJFM-UHFFFAOYSA-N -1 3 221.220 0.916 20 0 BCADHM Cc1c(NC(=O)c2cnn[n-]2)n[nH]c1C1CC1 ZINC000728069411 583847152 /nfs/dbraw/zinc/84/71/52/583847152.db2.gz GICLPQZCZQMWMZ-UHFFFAOYSA-N -1 3 232.247 0.966 20 0 BCADHM Cc1c(NC(=O)c2c[n-]nn2)n[nH]c1C1CC1 ZINC000728069411 583847153 /nfs/dbraw/zinc/84/71/53/583847153.db2.gz GICLPQZCZQMWMZ-UHFFFAOYSA-N -1 3 232.247 0.966 20 0 BCADHM Cc1c(NC(=O)c2cn[n-]n2)n[nH]c1C1CC1 ZINC000728069411 583847155 /nfs/dbraw/zinc/84/71/55/583847155.db2.gz GICLPQZCZQMWMZ-UHFFFAOYSA-N -1 3 232.247 0.966 20 0 BCADHM CO[N-]C(=O)CNCc1cn2ccnc2s1 ZINC000896923552 583858800 /nfs/dbraw/zinc/85/88/00/583858800.db2.gz GTDPIVKYQYBDGQ-UHFFFAOYSA-N -1 3 240.288 0.163 20 0 BCADHM O=c1cc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)nc[n-]1 ZINC000897072169 583877883 /nfs/dbraw/zinc/87/78/83/583877883.db2.gz VCEFQBJDBWTOKN-NJPIEQFCSA-N -1 3 219.244 0.770 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC000858262157 588940536 /nfs/dbraw/zinc/94/05/36/588940536.db2.gz IMHZXNYXESVYQE-VIFPVBQESA-N -1 3 223.276 0.822 20 0 BCADHM CO[N-]C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC000858301048 588943146 /nfs/dbraw/zinc/94/31/46/588943146.db2.gz XIMHEZWBOVEKIB-QMMMGPOBSA-N -1 3 209.249 0.432 20 0 BCADHM O=c1cc(N2CC[C@H](O)[C@@H](F)C2)nc[n-]1 ZINC000897378109 583946369 /nfs/dbraw/zinc/94/63/69/583946369.db2.gz BIDRSKVAQXDTMG-BQBZGAKWSA-N -1 3 213.212 0.091 20 0 BCADHM Cn1nnc([N-]C(=O)c2ccc(C(F)F)o2)n1 ZINC000889626441 583969232 /nfs/dbraw/zinc/96/92/32/583969232.db2.gz ZNQFDEVHJBTLBC-UHFFFAOYSA-N -1 3 243.173 0.993 20 0 BCADHM CCNC(=O)CCCC(=O)[N-]C1=NCCS1 ZINC000729284325 583989333 /nfs/dbraw/zinc/98/93/33/583989333.db2.gz YRENXCWTULMGPG-UHFFFAOYSA-N -1 3 243.332 0.512 20 0 BCADHM CC(C)CCS(=O)(=O)[N-][C@H]1CCOC1=O ZINC000729481446 584015244 /nfs/dbraw/zinc/01/52/44/584015244.db2.gz FBUYLRVDNFBYSF-QMMMGPOBSA-N -1 3 235.305 0.267 20 0 BCADHM Cc1ccc([O-])c(CN[C@@]2(C)CCNC2=O)n1 ZINC000897871190 584055853 /nfs/dbraw/zinc/05/58/53/584055853.db2.gz JEROTHHZRSZPHS-LBPRGKRZSA-N -1 3 235.287 0.464 20 0 BCADHM O=C1[N-]C(=O)C2(CN(Cc3cccs3)C2)N1 ZINC000897908173 584059792 /nfs/dbraw/zinc/05/97/92/584059792.db2.gz RXWPCHZHPGJDRX-UHFFFAOYSA-N -1 3 237.284 0.142 20 0 BCADHM CCC[C@@H](C)CN1CC2(C1)NC(=O)[N-]C2=O ZINC000897906006 584059952 /nfs/dbraw/zinc/05/99/52/584059952.db2.gz QEZTUGXBBIQLPI-MRVPVSSYSA-N -1 3 225.292 0.316 20 0 BCADHM CO[C@@H](C)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898210931 584092286 /nfs/dbraw/zinc/09/22/86/584092286.db2.gz KSKSOVUQKSODKW-YUMQZZPRSA-N -1 3 239.275 0.466 20 0 BCADHM O=C(C(F)F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221266 584093261 /nfs/dbraw/zinc/09/32/61/584093261.db2.gz LTDMJUYTQSXGHG-YFKPBYRVSA-N -1 3 231.202 0.696 20 0 BCADHM NC(=O)CCCC(=O)[N-]Oc1ccc(F)cc1 ZINC000898573785 584142666 /nfs/dbraw/zinc/14/26/66/584142666.db2.gz RHGAWRSKDWGMSH-UHFFFAOYSA-N -1 3 240.234 0.891 20 0 BCADHM Cn1cccc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898726221 584155764 /nfs/dbraw/zinc/15/57/64/584155764.db2.gz XWMWTKAHJRZSOL-VIFPVBQESA-N -1 3 248.286 0.267 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccoc1 ZINC000898728898 584155768 /nfs/dbraw/zinc/15/57/68/584155768.db2.gz NPLRFSSTSYYRBR-QMMMGPOBSA-N -1 3 235.243 0.521 20 0 BCADHM CC[C@@H](OC)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898730707 584155791 /nfs/dbraw/zinc/15/57/91/584155791.db2.gz BLFUKYJWGFOCRN-RKDXNWHRSA-N -1 3 241.291 0.040 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccco1 ZINC000898729480 584156158 /nfs/dbraw/zinc/15/61/58/584156158.db2.gz RKKMGGULXRQDOR-QMMMGPOBSA-N -1 3 235.243 0.521 20 0 BCADHM CC1(C)C[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898737099 584156604 /nfs/dbraw/zinc/15/66/04/584156604.db2.gz NGVGEZXKOOKUTJ-IUCAKERBSA-N -1 3 237.303 0.661 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CC12CCC2 ZINC000898736905 584156726 /nfs/dbraw/zinc/15/67/26/584156726.db2.gz KUEXMKWWJYMGBC-VHSXEESVSA-N -1 3 249.314 0.805 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)C1CC2(CC2)C1 ZINC000898741582 584156928 /nfs/dbraw/zinc/15/69/28/584156928.db2.gz AQSJBFSLKJMGEB-SECBINFHSA-N -1 3 249.314 0.805 20 0 BCADHM CC(F)(F)CC(=O)NCCCc1c[n-][nH]c1=O ZINC000898739714 584157087 /nfs/dbraw/zinc/15/70/87/584157087.db2.gz LZHUUUCPVTZBNO-SSDOTTSWSA-N -1 3 247.245 0.660 20 0 BCADHM CC[C@@H]1C[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898740720 584157284 /nfs/dbraw/zinc/15/72/84/584157284.db2.gz TXOJDSQDICGSOB-OPRDCNLKSA-N -1 3 237.303 0.661 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC2=NCC(=O)N2C)c1 ZINC000898780119 584159697 /nfs/dbraw/zinc/15/96/97/584159697.db2.gz BFUTVHXWGVMCDD-UHFFFAOYSA-N -1 3 247.254 0.258 20 0 BCADHM Cc1cccc(CO[N-]C(=O)[C@H](C)N(C)C)n1 ZINC000898931675 584166400 /nfs/dbraw/zinc/16/64/00/584166400.db2.gz YSHSKNYOMFPSIV-JTQLQIEISA-N -1 3 237.303 0.888 20 0 BCADHM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)[N-]OCCO ZINC000898939221 584167307 /nfs/dbraw/zinc/16/73/07/584167307.db2.gz LQOJAFUKIXODNA-XVKPBYJWSA-N -1 3 239.275 0.116 20 0 BCADHM CC1(C)CO[C@@H](CCC(=O)[N-]OCCO)C1 ZINC000898939483 584167485 /nfs/dbraw/zinc/16/74/85/584167485.db2.gz QMGLVLRPLCHJJB-VIFPVBQESA-N -1 3 231.292 0.622 20 0 BCADHM CCC/C=C/[C@H](O)C(=O)[N-]C1=NCCS1 ZINC000900005693 584264073 /nfs/dbraw/zinc/26/40/73/584264073.db2.gz GNRVMJSMJIQXOX-ZJELKQJVSA-N -1 3 228.317 0.923 20 0 BCADHM CCC/C=C\[C@H](O)C(=O)[N-]C1=NCCS1 ZINC000900005690 584264193 /nfs/dbraw/zinc/26/41/93/584264193.db2.gz GNRVMJSMJIQXOX-LGYSABEFSA-N -1 3 228.317 0.923 20 0 BCADHM CC(C)(O)[C@@H](O)C(=O)Nc1ccccc1[O-] ZINC000900309247 584293187 /nfs/dbraw/zinc/29/31/87/584293187.db2.gz BFZJBRYOQPMMLO-VIFPVBQESA-N -1 3 225.244 0.463 20 0 BCADHM CC[C@H](O)[C@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000900442732 584308332 /nfs/dbraw/zinc/30/83/32/584308332.db2.gz PCQMKLCPPJQGPW-WDSKDSINSA-N -1 3 244.320 0.872 20 0 BCADHM CC[C@H](O)[C@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000900442732 584308334 /nfs/dbraw/zinc/30/83/34/584308334.db2.gz PCQMKLCPPJQGPW-WDSKDSINSA-N -1 3 244.320 0.872 20 0 BCADHM CC[C@H](O)[C@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000900442732 584308335 /nfs/dbraw/zinc/30/83/35/584308335.db2.gz PCQMKLCPPJQGPW-WDSKDSINSA-N -1 3 244.320 0.872 20 0 BCADHM C[C@H](NC(=O)[C@H](N)C1CCCCCC1)C(=O)[O-] ZINC000900455121 584313174 /nfs/dbraw/zinc/31/31/74/584313174.db2.gz YFLIZNHVGYUQKN-WCBMZHEXSA-N -1 3 242.319 0.873 20 0 BCADHM C[C@@H](NC(=O)[C@H](N)C1CCCCCC1)C(=O)[O-] ZINC000900455119 584313277 /nfs/dbraw/zinc/31/32/77/584313277.db2.gz YFLIZNHVGYUQKN-PSASIEDQSA-N -1 3 242.319 0.873 20 0 BCADHM N[C@@H](C(=O)NCCC(=O)[O-])C1CCCCCC1 ZINC000900453883 584313389 /nfs/dbraw/zinc/31/33/89/584313389.db2.gz OIZNBVIGYOOIOG-LLVKDONJSA-N -1 3 242.319 0.875 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@]12C[C@H]1CCCN2 ZINC000900455908 584313772 /nfs/dbraw/zinc/31/37/72/584313772.db2.gz DKYLUUYRFKZXPP-SKDRFNHKSA-N -1 3 240.303 0.452 20 0 BCADHM CC(=C(F)C(=O)Nc1nnn[n-]1)C1CC1 ZINC000900744280 584348335 /nfs/dbraw/zinc/34/83/35/584348335.db2.gz AAXSXLWIOPFYRQ-XQRVVYSFSA-N -1 3 211.200 0.792 20 0 BCADHM CC(=C(F)C(=O)Nc1nn[n-]n1)C1CC1 ZINC000900744280 584348336 /nfs/dbraw/zinc/34/83/36/584348336.db2.gz AAXSXLWIOPFYRQ-XQRVVYSFSA-N -1 3 211.200 0.792 20 0 BCADHM C/C(=C(/F)C(=O)Nc1nn[n-]n1)C1CC1 ZINC000900744280 584348337 /nfs/dbraw/zinc/34/83/37/584348337.db2.gz AAXSXLWIOPFYRQ-XQRVVYSFSA-N -1 3 211.200 0.792 20 0 BCADHM CC[C@H](NC)C(=O)[N-]S(=O)(=O)c1ccoc1 ZINC000901035868 584376293 /nfs/dbraw/zinc/37/62/93/584376293.db2.gz WSNNMWSYUSGNRU-QMMMGPOBSA-N -1 3 246.288 0.083 20 0 BCADHM NCCS(=O)(=O)[N-]C(=O)CC1=CCCCC1 ZINC000901095851 584384963 /nfs/dbraw/zinc/38/49/63/584384963.db2.gz LIUAXNCGGYKTPX-UHFFFAOYSA-N -1 3 246.332 0.282 20 0 BCADHM CN(CC(=O)N(C)CCC(=O)[O-])CC(C)(C)C ZINC000901460593 584450706 /nfs/dbraw/zinc/45/07/06/584450706.db2.gz VWEMZUBYGMAEGU-UHFFFAOYSA-N -1 3 244.335 0.897 20 0 BCADHM COc1nccc(CNC(C)(C)C(=O)[O-])n1 ZINC000901490133 584452405 /nfs/dbraw/zinc/45/24/05/584452405.db2.gz RRGBYMZDNPGRBF-UHFFFAOYSA-N -1 3 225.248 0.438 20 0 BCADHM CCc1ncc(CNC(C)(C)C(=O)[O-])cn1 ZINC000901488962 584452417 /nfs/dbraw/zinc/45/24/17/584452417.db2.gz KRGODOUJTDVYAF-UHFFFAOYSA-N -1 3 223.276 0.992 20 0 BCADHM CCO[C@H](C)SCCc1nnn[n-]1 ZINC000901564178 584463536 /nfs/dbraw/zinc/46/35/36/584463536.db2.gz FADYYECMHMVPCE-LURJTMIESA-N -1 3 202.283 0.858 20 0 BCADHM CCO[C@H](C)SCCc1nn[n-]n1 ZINC000901564178 584463537 /nfs/dbraw/zinc/46/35/37/584463537.db2.gz FADYYECMHMVPCE-LURJTMIESA-N -1 3 202.283 0.858 20 0 BCADHM Cn1cc(CN[C@](C)(CCF)C(=O)[O-])cn1 ZINC000901920133 584504085 /nfs/dbraw/zinc/50/40/85/584504085.db2.gz WUDKCSYIITYZIG-SNVBAGLBSA-N -1 3 229.255 0.713 20 0 BCADHM CC[C@H](C(=O)NC[C@@H](C(=O)[O-])C(C)C)N(C)C ZINC000902023753 584512621 /nfs/dbraw/zinc/51/26/21/584512621.db2.gz LHMGBOHIJBRPIN-NXEZZACHSA-N -1 3 244.335 0.800 20 0 BCADHM CC[C@@H](C(=O)N1CCC[C@]1(C)C(=O)[O-])N(C)C ZINC000902111613 584526767 /nfs/dbraw/zinc/52/67/67/584526767.db2.gz CZTQSDWRXNGJBB-JOYOIKCWSA-N -1 3 242.319 0.792 20 0 BCADHM COc1cc(CO[N-]C(C)=O)sn1 ZINC000902230502 584541789 /nfs/dbraw/zinc/54/17/89/584541789.db2.gz JXCQIVAOSMNYMV-UHFFFAOYSA-N -1 3 202.235 0.719 20 0 BCADHM CC(=O)[N-]OCc1ccc(N(C)C)nc1 ZINC000902231890 584542419 /nfs/dbraw/zinc/54/24/19/584542419.db2.gz ZQNABLNKLOEYRE-UHFFFAOYSA-N -1 3 209.249 0.715 20 0 BCADHM Cn1c(=O)[n-]nc1SCCO[C@@H]1CCOC1 ZINC000902695295 584657084 /nfs/dbraw/zinc/65/70/84/584657084.db2.gz BTHKISSMWZKIID-SSDOTTSWSA-N -1 3 245.304 0.418 20 0 BCADHM CCCN(C)CC(=O)NC[C@@H](CC)C(=O)[O-] ZINC000902847919 584681903 /nfs/dbraw/zinc/68/19/03/584681903.db2.gz KPXSVZHIYJATJR-SECBINFHSA-N -1 3 230.308 0.555 20 0 BCADHM C#CCCNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000095117957 598823762 /nfs/dbraw/zinc/82/37/62/598823762.db2.gz VAJLOJFWUYHMQV-UHFFFAOYSA-N -1 3 242.242 0.015 20 0 BCADHM C#CCCNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000095117957 598823764 /nfs/dbraw/zinc/82/37/64/598823764.db2.gz VAJLOJFWUYHMQV-UHFFFAOYSA-N -1 3 242.242 0.015 20 0 BCADHM O=C(NCc1ncccc1[O-])OCCF ZINC000859142133 589008550 /nfs/dbraw/zinc/00/85/50/589008550.db2.gz TYPXUBHDXRZGDF-UHFFFAOYSA-N -1 3 214.196 0.983 20 0 BCADHM Cn1cncc1CN[C@]1(C(=O)[O-])CCSC1 ZINC000904007384 584837083 /nfs/dbraw/zinc/83/70/83/584837083.db2.gz GRJDXICBFVUCHN-SNVBAGLBSA-N -1 3 241.316 0.470 20 0 BCADHM O=C([O-])[C@@]1(NCc2cn[nH]c2)CCSC1 ZINC000904007499 584837254 /nfs/dbraw/zinc/83/72/54/584837254.db2.gz KUHISMNPVIXYKY-SECBINFHSA-N -1 3 227.289 0.460 20 0 BCADHM CO[C@H](C(=O)[N-]c1nnnn1C)C1CCCC1 ZINC000904190918 584848626 /nfs/dbraw/zinc/84/86/26/584848626.db2.gz MMWCBMUCDBAPNC-QMMMGPOBSA-N -1 3 239.279 0.354 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[N-]c1nnnn1C ZINC000904190475 584848630 /nfs/dbraw/zinc/84/86/30/584848630.db2.gz HXXLGCWDEQUCRR-RULNZFCNSA-N -1 3 239.279 0.208 20 0 BCADHM CCC[C@H](CC)C(=O)[N-]c1nnnn1C ZINC000904190039 584848720 /nfs/dbraw/zinc/84/87/20/584848720.db2.gz CEEQOHSEUIFGEK-ZETCQYMHSA-N -1 3 211.269 0.975 20 0 BCADHM C[C@@H](CC(=O)[N-]c1nnnn1C)c1ccncc1 ZINC000904190012 584848808 /nfs/dbraw/zinc/84/88/08/584848808.db2.gz BWHGTSMOHQQJOA-QMMMGPOBSA-N -1 3 246.274 0.737 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@]1(C)C=CCC1 ZINC000904189547 584848837 /nfs/dbraw/zinc/84/88/37/584848837.db2.gz RGAGJKFTAXETQQ-SECBINFHSA-N -1 3 207.237 0.505 20 0 BCADHM C[C@H](CC(F)(F)F)C(=O)[N-]c1nnnn1C ZINC000904190671 584848923 /nfs/dbraw/zinc/84/89/23/584848923.db2.gz CLSRVJNMQYKZGM-SCSAIBSYSA-N -1 3 237.185 0.737 20 0 BCADHM Cc1cc(CCC(=O)[N-]c2nnnn2C)no1 ZINC000904189513 584848935 /nfs/dbraw/zinc/84/89/35/584848935.db2.gz PPCLAMJQFIXCTF-UHFFFAOYSA-N -1 3 236.235 0.078 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1(C(F)F)CCC1 ZINC000904190926 584848955 /nfs/dbraw/zinc/84/89/55/584848955.db2.gz MQIRDTJBLFCQAM-UHFFFAOYSA-N -1 3 231.206 0.584 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000904191548 584849134 /nfs/dbraw/zinc/84/91/34/584849134.db2.gz SUCDJMCQTRWHRZ-ZMONIFLSSA-N -1 3 207.237 0.195 20 0 BCADHM CO[C@H]1CCCC[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904191782 584849146 /nfs/dbraw/zinc/84/91/46/584849146.db2.gz PCIRCBTZNXJYAX-YUMQZZPRSA-N -1 3 239.279 0.354 20 0 BCADHM CC(C)CCCC(=O)[N-]c1nnnn1C ZINC000904191552 584849263 /nfs/dbraw/zinc/84/92/63/584849263.db2.gz LLLPZWLMJKAYCN-UHFFFAOYSA-N -1 3 211.269 0.975 20 0 BCADHM C[C@@H](CC(=O)[N-]c1nnnn1C)C(F)(F)F ZINC000904191373 584849289 /nfs/dbraw/zinc/84/92/89/584849289.db2.gz RKPSKQDBSCRDHM-BYPYZUCNSA-N -1 3 237.185 0.737 20 0 BCADHM CC(C(=O)[N-]c1nnnn1C)=C1CCC1 ZINC000904191804 584849447 /nfs/dbraw/zinc/84/94/47/584849447.db2.gz PNWSZYMHGCZBJR-UHFFFAOYSA-N -1 3 207.237 0.649 20 0 BCADHM CC[C@@H]1CC[C@@H](C(=O)[N-]c2nnnn2C)O1 ZINC000904194951 584850045 /nfs/dbraw/zinc/85/00/45/584850045.db2.gz PACSFFVYRDQKDL-RQJHMYQMSA-N -1 3 225.252 0.106 20 0 BCADHM C[C@H]1CCC[C@@H]1CC(=O)[N-]c1nnnn1C ZINC000904194918 584850080 /nfs/dbraw/zinc/85/00/80/584850080.db2.gz GZYNWRQYWYKROA-JGVFFNPUSA-N -1 3 223.280 0.975 20 0 BCADHM CS[C@H](C)CCC(=O)[N-]c1nnnn1C ZINC000904195387 584850249 /nfs/dbraw/zinc/85/02/49/584850249.db2.gz LYWOZBYCLBMZDQ-ZCFIWIBFSA-N -1 3 229.309 0.680 20 0 BCADHM CC(C)[C@@H]1C[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904194736 584850328 /nfs/dbraw/zinc/85/03/28/584850328.db2.gz DTCCXCKHFKGYLQ-BQBZGAKWSA-N -1 3 209.253 0.441 20 0 BCADHM C[C@@H](C(=O)[N-]c1nnnn1C)C1CCCC1 ZINC000904195948 584850679 /nfs/dbraw/zinc/85/06/79/584850679.db2.gz YSPHQTCABRPABG-SSDOTTSWSA-N -1 3 223.280 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1COc2ccccc21 ZINC000904198444 584850687 /nfs/dbraw/zinc/85/06/87/584850687.db2.gz DXHCZFFHWQAFPW-QMMMGPOBSA-N -1 3 245.242 0.325 20 0 BCADHM C[C@@H]1CCC[C@H](C(=O)[N-]c2nnnn2C)C1 ZINC000904198993 584850895 /nfs/dbraw/zinc/85/08/95/584850895.db2.gz MIWCMDMEARUMDU-SFYZADRCSA-N -1 3 223.280 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCc1nccs1 ZINC000904199812 584850970 /nfs/dbraw/zinc/85/09/70/584850970.db2.gz NOJFMWBCFFLCNN-UHFFFAOYSA-N -1 3 238.276 0.238 20 0 BCADHM CC(C)CO[C@H](C)C(=O)[N-]c1nnnn1C ZINC000904199532 584851001 /nfs/dbraw/zinc/85/10/01/584851001.db2.gz LQTWXIWMNNVGKU-SSDOTTSWSA-N -1 3 227.268 0.210 20 0 BCADHM CCCCCCOCC(=O)[N-]c1nnnn1C ZINC000904198650 584851020 /nfs/dbraw/zinc/85/10/20/584851020.db2.gz AMOZPSQMFMQSFP-UHFFFAOYSA-N -1 3 241.295 0.746 20 0 BCADHM C[C@H]1CC[C@@H](CCC(=O)[N-]c2nnnn2C)O1 ZINC000904198881 584851168 /nfs/dbraw/zinc/85/11/68/584851168.db2.gz KTWPQFXJGMWPRS-YUMQZZPRSA-N -1 3 239.279 0.496 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CCCS1 ZINC000904200707 584851211 /nfs/dbraw/zinc/85/12/11/584851211.db2.gz ZZJGUPJFUKJNNX-RXMQYKEDSA-N -1 3 213.266 0.044 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CC1(Cl)Cl ZINC000904203040 584851837 /nfs/dbraw/zinc/85/18/37/584851837.db2.gz BIQGHQDKKHNFII-GSVOUGTGSA-N -1 3 236.062 0.342 20 0 BCADHM CCN(C)C(=O)[C@@H](N[C@H](C)C(=O)[O-])C(C)C ZINC000904244718 584856903 /nfs/dbraw/zinc/85/69/03/584856903.db2.gz SGYNMVMJWPFXLI-BDAKNGLRSA-N -1 3 230.308 0.552 20 0 BCADHM CC[C@@H](O)[C@@H]1CCCCN1CCNC(=O)[O-] ZINC000826626938 584894954 /nfs/dbraw/zinc/89/49/54/584894954.db2.gz YYCOWTYVVSWOIB-VHSXEESVSA-N -1 3 230.308 0.879 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N1CCNC(C)(C)C1 ZINC000827262991 584897924 /nfs/dbraw/zinc/89/79/24/584897924.db2.gz MTXQKZICOBDQNF-MRVPVSSYSA-N -1 3 228.292 0.308 20 0 BCADHM CCOC[C@@H](O)CN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827387632 584898698 /nfs/dbraw/zinc/89/86/98/584898698.db2.gz FWRSGKRBDDUBPW-UWVGGRQHSA-N -1 3 246.307 0.068 20 0 BCADHM O=C1OCC[C@@H]1[N-]S(=O)(=O)C1CCCCC1 ZINC000731215160 584923613 /nfs/dbraw/zinc/92/36/13/584923613.db2.gz NMQGIFJRCFFHMK-VIFPVBQESA-N -1 3 247.316 0.554 20 0 BCADHM COCCN1CCC[C@H]1CNC(=O)[O-] ZINC000737814930 584925979 /nfs/dbraw/zinc/92/59/79/584925979.db2.gz ZUZARGOSJYAINU-QMMMGPOBSA-N -1 3 202.254 0.365 20 0 BCADHM CC[C@H](OC(=O)c1cncc([O-])c1)C(N)=O ZINC000732392583 584936718 /nfs/dbraw/zinc/93/67/18/584936718.db2.gz GZZSBTJGRBFZCZ-QMMMGPOBSA-N -1 3 224.216 0.208 20 0 BCADHM CCOC[C@H](O)CN1CCC[C@@H](NC(=O)[O-])C1 ZINC000737876120 584937454 /nfs/dbraw/zinc/93/74/54/584937454.db2.gz FDDAPMMRRFFRKK-NXEZZACHSA-N -1 3 246.307 0.116 20 0 BCADHM CO[C@H](CNC(=O)c1c[n-]nn1)C(F)(F)F ZINC000733280009 584945778 /nfs/dbraw/zinc/94/57/78/584945778.db2.gz QAVXVHFVBUHTGQ-RXMQYKEDSA-N -1 3 238.169 0.112 20 0 BCADHM CO[C@H](CNC(=O)c1cnn[n-]1)C(F)(F)F ZINC000733280009 584945779 /nfs/dbraw/zinc/94/57/79/584945779.db2.gz QAVXVHFVBUHTGQ-RXMQYKEDSA-N -1 3 238.169 0.112 20 0 BCADHM CO[C@H](CNC(=O)c1cn[n-]n1)C(F)(F)F ZINC000733280009 584945780 /nfs/dbraw/zinc/94/57/80/584945780.db2.gz QAVXVHFVBUHTGQ-RXMQYKEDSA-N -1 3 238.169 0.112 20 0 BCADHM CC(C)(O)CNc1ncccc1-c1nnn[n-]1 ZINC000735679050 584980983 /nfs/dbraw/zinc/98/09/83/584980983.db2.gz DNUNBTSXEGEQCK-UHFFFAOYSA-N -1 3 234.263 0.445 20 0 BCADHM CC(C)(O)CNc1ncccc1-c1nn[n-]n1 ZINC000735679050 584980984 /nfs/dbraw/zinc/98/09/84/584980984.db2.gz DNUNBTSXEGEQCK-UHFFFAOYSA-N -1 3 234.263 0.445 20 0 BCADHM Cc1nnc([N-]C(=O)c2ncccn2)s1 ZINC000735843094 584983073 /nfs/dbraw/zinc/98/30/73/584983073.db2.gz KSSWCOVZKXKLNC-UHFFFAOYSA-N -1 3 221.245 0.889 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N(C)CC(C)(C)C ZINC000736210633 584991887 /nfs/dbraw/zinc/99/18/87/584991887.db2.gz YODSELJNNPIZTG-QMMMGPOBSA-N -1 3 230.308 0.554 20 0 BCADHM CCC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000736435027 585002161 /nfs/dbraw/zinc/00/21/61/585002161.db2.gz ISNQWBGVPDGJLP-SECBINFHSA-N -1 3 248.290 0.835 20 0 BCADHM CCC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000736435027 585002162 /nfs/dbraw/zinc/00/21/62/585002162.db2.gz ISNQWBGVPDGJLP-SECBINFHSA-N -1 3 248.290 0.835 20 0 BCADHM CC(C)N(C)CC(=O)NC(C)(C)CC(=O)[O-] ZINC000736454516 585002805 /nfs/dbraw/zinc/00/28/05/585002805.db2.gz ICDYSWWLRJENIC-UHFFFAOYSA-N -1 3 230.308 0.696 20 0 BCADHM Cc1cnccc1CC(=O)[N-]OCC(C)(C)O ZINC000819541470 585003515 /nfs/dbraw/zinc/00/35/15/585003515.db2.gz ADVBFTHWKBRJAH-UHFFFAOYSA-N -1 3 238.287 0.751 20 0 BCADHM CCCNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736488372 585004220 /nfs/dbraw/zinc/00/42/20/585004220.db2.gz QHDGLJPNDKPBFB-UHFFFAOYSA-N -1 3 232.247 0.402 20 0 BCADHM CCCNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736488372 585004221 /nfs/dbraw/zinc/00/42/21/585004221.db2.gz QHDGLJPNDKPBFB-UHFFFAOYSA-N -1 3 232.247 0.402 20 0 BCADHM C[C@H](CN(CC(=O)NC1CC1)C1CC1)C(=O)[O-] ZINC000736580044 585006520 /nfs/dbraw/zinc/00/65/20/585006520.db2.gz XCUCOQZBIJLWTI-MRVPVSSYSA-N -1 3 240.303 0.450 20 0 BCADHM C[C@H](CN(C)CC(=O)NCC1CCC1)C(=O)[O-] ZINC000736570620 585006545 /nfs/dbraw/zinc/00/65/45/585006545.db2.gz DIFAPSHCCXILBX-SECBINFHSA-N -1 3 242.319 0.555 20 0 BCADHM CCONC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736627087 585008501 /nfs/dbraw/zinc/00/85/01/585008501.db2.gz JZMJTFVUGUAHCJ-UHFFFAOYSA-N -1 3 248.246 0.940 20 0 BCADHM C[C@H](O)CN1CCN(CCCC(=O)[O-])C[C@@H]1C ZINC000736676538 585009279 /nfs/dbraw/zinc/00/92/79/585009279.db2.gz IWZHMPRNRHZHDO-QWRGUYRKSA-N -1 3 244.335 0.238 20 0 BCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000736746858 585011425 /nfs/dbraw/zinc/01/14/25/585011425.db2.gz CDHOXPSXBMDGIX-UHFFFAOYSA-N -1 3 244.258 0.496 20 0 BCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000736746858 585011426 /nfs/dbraw/zinc/01/14/26/585011426.db2.gz CDHOXPSXBMDGIX-UHFFFAOYSA-N -1 3 244.258 0.496 20 0 BCADHM C[C@@H]1C[C@H](C)N(CC(=O)NCCC(=O)[O-])C1 ZINC000736756551 585011565 /nfs/dbraw/zinc/01/15/65/585011565.db2.gz UARKPRQHALHCRV-BDAKNGLRSA-N -1 3 228.292 0.308 20 0 BCADHM CC[C@@H](C)[C@@H](NC(=O)CN(CC)CC)C(=O)[O-] ZINC000736876994 585018695 /nfs/dbraw/zinc/01/86/95/585018695.db2.gz JGWJXPSSBOMEIF-MWLCHTKSSA-N -1 3 244.335 0.944 20 0 BCADHM COC1CN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000736966615 585020664 /nfs/dbraw/zinc/02/06/64/585020664.db2.gz WBSFPPKNWBHWDN-UHFFFAOYSA-N -1 3 249.249 0.841 20 0 BCADHM COC1CN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000736966615 585020665 /nfs/dbraw/zinc/02/06/65/585020665.db2.gz WBSFPPKNWBHWDN-UHFFFAOYSA-N -1 3 249.249 0.841 20 0 BCADHM COC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736966618 585020711 /nfs/dbraw/zinc/02/07/11/585020711.db2.gz WDMPMTRSTDZLCF-UHFFFAOYSA-N -1 3 245.286 0.697 20 0 BCADHM COC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736966618 585020712 /nfs/dbraw/zinc/02/07/12/585020712.db2.gz WDMPMTRSTDZLCF-UHFFFAOYSA-N -1 3 245.286 0.697 20 0 BCADHM COCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000736976653 585021161 /nfs/dbraw/zinc/02/11/61/585021161.db2.gz NJUYBRYUPNOERC-UHFFFAOYSA-N -1 3 248.242 0.809 20 0 BCADHM COCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736976653 585021162 /nfs/dbraw/zinc/02/11/62/585021162.db2.gz NJUYBRYUPNOERC-UHFFFAOYSA-N -1 3 248.242 0.809 20 0 BCADHM CCCN(C)CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000737007904 585022268 /nfs/dbraw/zinc/02/22/68/585022268.db2.gz PNHZYRWUUQUWDX-JTQLQIEISA-N -1 3 244.335 0.944 20 0 BCADHM CCCN(CCN(C)C)C(=O)CCNC(=O)[O-] ZINC000737020970 585022627 /nfs/dbraw/zinc/02/26/27/585022627.db2.gz PJPBHHLIMYHZRM-UHFFFAOYSA-N -1 3 245.323 0.444 20 0 BCADHM CCCNC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000737024222 585022655 /nfs/dbraw/zinc/02/26/55/585022655.db2.gz AXPYQSARZWECDD-SECBINFHSA-N -1 3 242.319 0.698 20 0 BCADHM CCN1CCN([C@@H](C)CNC(=O)[O-])CC1 ZINC000737115521 585026036 /nfs/dbraw/zinc/02/60/36/585026036.db2.gz LSATZBJEKJONJD-VIFPVBQESA-N -1 3 215.297 0.280 20 0 BCADHM CN(C(=O)CCNC(=O)[O-])[C@@H]1CCCN(C)C1 ZINC000737514047 585034462 /nfs/dbraw/zinc/03/44/62/585034462.db2.gz DDVICYUFFBGDAH-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM CN(CCCCC(=O)[O-])[C@H]1CCCCNC1=O ZINC000737990255 585039940 /nfs/dbraw/zinc/03/99/40/585039940.db2.gz VJQOLUGMXGANBY-JTQLQIEISA-N -1 3 242.319 0.842 20 0 BCADHM COC[C@H](O)CN1CCC(N(C)C(=O)[O-])CC1 ZINC000738059713 585040463 /nfs/dbraw/zinc/04/04/63/585040463.db2.gz IZQSQTGNDPYLEH-SNVBAGLBSA-N -1 3 246.307 0.068 20 0 BCADHM C[C@@H](O)COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838144943 585047221 /nfs/dbraw/zinc/04/72/21/585047221.db2.gz MZGVBNQBYCQWHF-SSDOTTSWSA-N -1 3 228.219 0.998 20 0 BCADHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCCF ZINC000866982439 585047367 /nfs/dbraw/zinc/04/73/67/585047367.db2.gz VQRCILGZHRGKSR-CYBMUJFWSA-N -1 3 246.329 0.298 20 0 BCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)CC2CCC2)C(=O)O1 ZINC000841525090 585058802 /nfs/dbraw/zinc/05/88/02/585058802.db2.gz QEOWBFXCDHWQJI-APPZFPTMSA-N -1 3 247.316 0.410 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1C[C@@]12CCOC2 ZINC000788124192 585080530 /nfs/dbraw/zinc/08/05/30/585080530.db2.gz VYWBJRZTCSCLSP-JFGNBEQYSA-N -1 3 241.287 0.497 20 0 BCADHM CO[N-]C(=O)CCSc1n[nH]c(C)n1 ZINC000746113392 585163167 /nfs/dbraw/zinc/16/31/67/585163167.db2.gz DZSCYLJVGLEKSH-UHFFFAOYSA-N -1 3 216.266 0.273 20 0 BCADHM CC(C)(O)CONC(=O)c1ccccc1[O-] ZINC000788226204 585173560 /nfs/dbraw/zinc/17/35/60/585173560.db2.gz ZFSDJDYEWPDGCH-UHFFFAOYSA-N -1 3 225.244 0.825 20 0 BCADHM NC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748479791 585193280 /nfs/dbraw/zinc/19/32/80/585193280.db2.gz UFBGBMLTXIHNMQ-UHFFFAOYSA-N -1 3 247.609 0.827 20 0 BCADHM COCCO[N-]C(=O)CCCc1nc(C)no1 ZINC000748774846 585195588 /nfs/dbraw/zinc/19/55/88/585195588.db2.gz URVSJKJBCWWVGY-UHFFFAOYSA-N -1 3 243.263 0.395 20 0 BCADHM COCCO[N-]C(=O)Nc1ccncc1 ZINC000749013430 585198381 /nfs/dbraw/zinc/19/83/81/585198381.db2.gz ANCDHAIXWOHZHV-UHFFFAOYSA-N -1 3 211.221 0.203 20 0 BCADHM C[C@@H](C(=O)[N-]O[C@H]1CCCCO1)N(C)C ZINC000750021577 585209474 /nfs/dbraw/zinc/20/94/74/585209474.db2.gz JOSGILSAFHCWGP-IUCAKERBSA-N -1 3 216.281 0.511 20 0 BCADHM CN(C)C(=O)COC(=O)c1ccc(F)cc1[O-] ZINC000750146680 585211181 /nfs/dbraw/zinc/21/11/81/585211181.db2.gz QRHNFZYPMBJOGL-UHFFFAOYSA-N -1 3 241.218 0.776 20 0 BCADHM Cc1nonc1[N-]C(=O)c1cnccn1 ZINC000750552676 585217320 /nfs/dbraw/zinc/21/73/20/585217320.db2.gz ZLMDZCVLAYFHLZ-UHFFFAOYSA-N -1 3 205.177 0.420 20 0 BCADHM O=S(=O)([N-][C@H](CO)C1CC1)c1cccs1 ZINC000751424850 585230194 /nfs/dbraw/zinc/23/01/94/585230194.db2.gz VDGORIOKTWHEMK-MRVPVSSYSA-N -1 3 247.341 0.797 20 0 BCADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)O[C@@H]1C=CCCC1 ZINC000751563309 585232649 /nfs/dbraw/zinc/23/26/49/585232649.db2.gz CXZNIEIAAKNXTC-SFYZADRCSA-N -1 3 238.243 0.236 20 0 BCADHM CC[C@@H](C)COC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000751568738 585233129 /nfs/dbraw/zinc/23/31/29/585233129.db2.gz NRDJNTJLMMSMSF-RQJHMYQMSA-N -1 3 228.248 0.174 20 0 BCADHM CC(C)(C)C(=O)[N-]OCC(=O)NCC1CC1 ZINC000752779357 585249896 /nfs/dbraw/zinc/24/98/96/585249896.db2.gz GSHJRHKMMRRTBI-UHFFFAOYSA-N -1 3 228.292 0.607 20 0 BCADHM O=C([N-]Cc1ncc[nH]1)C(F)(F)C1(O)CCC1 ZINC000752963603 585251763 /nfs/dbraw/zinc/25/17/63/585251763.db2.gz GPQGAGZJYYPDBH-UHFFFAOYSA-N -1 3 245.229 0.576 20 0 BCADHM COCCCO[N-]C(=O)/C=C/c1cnn(C)c1 ZINC000805042958 585259165 /nfs/dbraw/zinc/25/91/65/585259165.db2.gz BGSFVRXKVBTCDT-SNAWJCMRSA-N -1 3 239.275 0.518 20 0 BCADHM COCCCO[N-]C(=O)[C@@H](C(C)C)N(C)C ZINC000805042878 585259901 /nfs/dbraw/zinc/25/99/01/585259901.db2.gz JQOLZRBYIKEVGB-SNVBAGLBSA-N -1 3 232.324 0.657 20 0 BCADHM C[C@@](O)(CC(=O)[N-]C1=NCCS1)C1CC1 ZINC000755426253 585299381 /nfs/dbraw/zinc/29/93/81/585299381.db2.gz RSCXEUXMUDMURE-SNVBAGLBSA-N -1 3 228.317 0.757 20 0 BCADHM CCN(CC)C(=O)CCC(=O)[N-]OCCOC ZINC000755448236 585299855 /nfs/dbraw/zinc/29/98/55/585299855.db2.gz KZPFXZBYFZXATC-UHFFFAOYSA-N -1 3 246.307 0.329 20 0 BCADHM CC[C@@H](C(=O)[N-]OCC(C)(C)O)N(C)C ZINC000839738178 585337763 /nfs/dbraw/zinc/33/77/63/585337763.db2.gz CCZNJXODSPUOEF-QMMMGPOBSA-N -1 3 218.297 0.145 20 0 BCADHM CN1CCCC[C@@H]1C(=O)[N-]OCC(C)(C)O ZINC000839738202 585337935 /nfs/dbraw/zinc/33/79/35/585337935.db2.gz CXBGFIVNFPUKNP-SECBINFHSA-N -1 3 230.308 0.289 20 0 BCADHM Cc1nc(COC(=O)c2cncc([O-])c2)no1 ZINC000759524875 585374712 /nfs/dbraw/zinc/37/47/12/585374712.db2.gz VLLMAXGDSIOYSJ-UHFFFAOYSA-N -1 3 235.199 0.836 20 0 BCADHM CCO[N-]C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000759946670 585383122 /nfs/dbraw/zinc/38/31/22/585383122.db2.gz RSMFXKIBAPAVGP-UHFFFAOYSA-N -1 3 241.222 0.998 20 0 BCADHM CN(C)C1(C(=O)[N-]OCC(F)F)CCC1 ZINC000760156558 585386307 /nfs/dbraw/zinc/38/63/07/585386307.db2.gz RJKFALSWOGXDBT-UHFFFAOYSA-N -1 3 222.235 0.784 20 0 BCADHM Cc1cc(=O)[n-]c(CSc2nc[nH]n2)n1 ZINC000761852845 585420319 /nfs/dbraw/zinc/42/03/19/585420319.db2.gz LPBRENAQZZLHAC-UHFFFAOYSA-N -1 3 223.261 0.901 20 0 BCADHM Cc1nonc1[N-]C(=O)c1cc2n(n1)CCCO2 ZINC000763015548 585441450 /nfs/dbraw/zinc/44/14/50/585441450.db2.gz VIFKQZWBWVXHEJ-UHFFFAOYSA-N -1 3 249.230 0.609 20 0 BCADHM O=C([N-]C1=NCCS1)[C@H]1C[C@]12CCOC2 ZINC000763402172 585447520 /nfs/dbraw/zinc/44/75/20/585447520.db2.gz DYSXSYXJZPAAMX-XCBNKYQSSA-N -1 3 226.301 0.632 20 0 BCADHM COCCO[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000764511538 585466985 /nfs/dbraw/zinc/46/69/85/585466985.db2.gz GSGJWKSESSTABW-SECBINFHSA-N -1 3 248.348 0.118 20 0 BCADHM CC(=O)[N-]OCCn1cnc2ccccc2c1=O ZINC000764937365 585477862 /nfs/dbraw/zinc/47/78/62/585477862.db2.gz RMFHAFPPKYLAPQ-UHFFFAOYSA-N -1 3 247.254 0.464 20 0 BCADHM CC(C)CO[N-]C(=O)[C@@H]1CN2CCN1CCC2 ZINC000765050789 585479992 /nfs/dbraw/zinc/47/99/92/585479992.db2.gz IZYCKWSIKHKXLX-NSHDSACASA-N -1 3 241.335 0.080 20 0 BCADHM O=Cc1n[n-]c2cc(C(=O)OCCO)ccc12 ZINC000766186120 585498613 /nfs/dbraw/zinc/49/86/13/585498613.db2.gz XGYJDOJBAMCMFB-UHFFFAOYSA-N -1 3 234.211 0.525 20 0 BCADHM O=Cc1[n-]nc2cc(C(=O)OCCO)ccc12 ZINC000766186120 585498614 /nfs/dbraw/zinc/49/86/14/585498614.db2.gz XGYJDOJBAMCMFB-UHFFFAOYSA-N -1 3 234.211 0.525 20 0 BCADHM CC(C)N(C)CC(=O)[N-]OCC(F)(F)F ZINC000766766190 585508304 /nfs/dbraw/zinc/50/83/04/585508304.db2.gz VCHOJNJTWZHBLF-UHFFFAOYSA-N -1 3 228.214 0.937 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000766772279 585508319 /nfs/dbraw/zinc/50/83/19/585508319.db2.gz XRRQDBBGLCTHRJ-ZCFIWIBFSA-N -1 3 226.198 0.691 20 0 BCADHM CC/C=C\CCOC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000767590142 585522830 /nfs/dbraw/zinc/52/28/30/585522830.db2.gz YZWQEDHRILKMGI-VEMNSZJBSA-N -1 3 240.259 0.484 20 0 BCADHM CC/C=C/CCOC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000767590141 585522984 /nfs/dbraw/zinc/52/29/84/585522984.db2.gz YZWQEDHRILKMGI-RTMURIBGSA-N -1 3 240.259 0.484 20 0 BCADHM C[C@H]1COCC[C@@H]1C(=O)[N-]OCC(F)F ZINC000767990827 585529198 /nfs/dbraw/zinc/52/91/98/585529198.db2.gz DFTDUGICFFUMRS-BQBZGAKWSA-N -1 3 223.219 0.972 20 0 BCADHM C[C@@H]1COCC[C@@H]1C(=O)[N-]OCC(F)F ZINC000767990832 585529277 /nfs/dbraw/zinc/52/92/77/585529277.db2.gz DFTDUGICFFUMRS-RQJHMYQMSA-N -1 3 223.219 0.972 20 0 BCADHM C[C@H]1COCC[C@H]1C(=O)[N-]OC1CCOCC1 ZINC000768001697 585529417 /nfs/dbraw/zinc/52/94/17/585529417.db2.gz AIKIEMVPVBQAMK-GXSJLCMTSA-N -1 3 243.303 0.886 20 0 BCADHM O=C([N-]N1CN=NC1=O)[C@@H](F)c1ccccc1 ZINC000769653507 585561162 /nfs/dbraw/zinc/56/11/62/585561162.db2.gz KHNPKHJFYJRPTC-QMMMGPOBSA-N -1 3 236.206 0.765 20 0 BCADHM Cc1cc(=O)[n-]c(CS[C@H]2CCNC2=O)n1 ZINC000769850171 585565340 /nfs/dbraw/zinc/56/53/40/585565340.db2.gz FYVGXSQIVLMMTE-ZETCQYMHSA-N -1 3 239.300 0.612 20 0 BCADHM CCNC(=O)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000770465855 585574636 /nfs/dbraw/zinc/57/46/36/585574636.db2.gz KWXKOHSJXWKDQC-ARJAWSKDSA-N -1 3 249.270 0.053 20 0 BCADHM O=C(NN1CCCC1=O)c1ccccc1[O-] ZINC000770546406 585576215 /nfs/dbraw/zinc/57/62/15/585576215.db2.gz KLUSDGCYJXCMPM-UHFFFAOYSA-N -1 3 220.228 0.659 20 0 BCADHM Cn1ncc(NC(=O)c2nc[n-]n2)c1C1CC1 ZINC000771478433 585595146 /nfs/dbraw/zinc/59/51/46/585595146.db2.gz JXQMQBVIIWXXNJ-UHFFFAOYSA-N -1 3 232.247 0.668 20 0 BCADHM Cc1nonc1C[N-]S(=O)(=O)CC1CCC1 ZINC000771772571 585599806 /nfs/dbraw/zinc/59/98/06/585599806.db2.gz WCNXVCDTJZSHTD-UHFFFAOYSA-N -1 3 245.304 0.598 20 0 BCADHM CCc1cc(=O)[n-]c(CN[C@H](CO)C2CC2)n1 ZINC000771816929 585601116 /nfs/dbraw/zinc/60/11/16/585601116.db2.gz ZOSSKLCFEWEUAI-SNVBAGLBSA-N -1 3 237.303 0.605 20 0 BCADHM Cn1cnnc1COC(=O)c1cncc([O-])c1 ZINC000771970669 585605912 /nfs/dbraw/zinc/60/59/12/585605912.db2.gz MXAVBIJMPWFASQ-UHFFFAOYSA-N -1 3 234.215 0.273 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1CCSC1 ZINC000772694945 585620973 /nfs/dbraw/zinc/62/09/73/585620973.db2.gz CTASJKAUQLXZQK-MRVPVSSYSA-N -1 3 219.306 0.824 20 0 BCADHM CO[C@@H](C)CC(=O)[N-]OC1CCOCC1 ZINC000772705663 585621551 /nfs/dbraw/zinc/62/15/51/585621551.db2.gz JXJQDMWLDSZRLH-QMMMGPOBSA-N -1 3 217.265 0.638 20 0 BCADHM O=C(Cc1cccnc1)[N-]OC1CCOCC1 ZINC000772707465 585621557 /nfs/dbraw/zinc/62/15/57/585621557.db2.gz RUVHJMFFSTVEET-UHFFFAOYSA-N -1 3 236.271 0.851 20 0 BCADHM COCCOCCC(=O)[N-]OC1CCOCC1 ZINC000772709395 585621590 /nfs/dbraw/zinc/62/15/90/585621590.db2.gz CBZWGVXWSOCGBW-UHFFFAOYSA-N -1 3 247.291 0.266 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]OC1CCOCC1 ZINC000772711269 585621949 /nfs/dbraw/zinc/62/19/49/585621949.db2.gz PCIGDNAHWMJMQY-QMMMGPOBSA-N -1 3 245.275 0.412 20 0 BCADHM CC(=O)Nc1ccc(OC(=O)c2nnc[n-]2)cc1 ZINC000772779456 585623561 /nfs/dbraw/zinc/62/35/61/585623561.db2.gz QTNZQKNAUNGVST-UHFFFAOYSA-N -1 3 246.226 0.982 20 0 BCADHM CC(=O)Nc1ccc(OC(=O)c2ncn[n-]2)cc1 ZINC000772779456 585623562 /nfs/dbraw/zinc/62/35/62/585623562.db2.gz QTNZQKNAUNGVST-UHFFFAOYSA-N -1 3 246.226 0.982 20 0 BCADHM CC(=O)Nc1ccc(OC(=O)c2nc[n-]n2)cc1 ZINC000772779456 585623563 /nfs/dbraw/zinc/62/35/63/585623563.db2.gz QTNZQKNAUNGVST-UHFFFAOYSA-N -1 3 246.226 0.982 20 0 BCADHM Cn1ncnc1CNC1(C(=O)[O-])CCCCC1 ZINC000772826188 585625035 /nfs/dbraw/zinc/62/50/35/585625035.db2.gz YUFUSGZXZCZMMS-UHFFFAOYSA-N -1 3 238.291 0.692 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)C2CC2)o1 ZINC000773311367 585634965 /nfs/dbraw/zinc/63/49/65/585634965.db2.gz YLJKWTGQLUKGQV-SECBINFHSA-N -1 3 245.300 0.637 20 0 BCADHM CCCCOCC(=O)[N-]OC1CCN(C)CC1 ZINC000773550822 585640543 /nfs/dbraw/zinc/64/05/43/585640543.db2.gz GHEAQMCJPDJZIE-UHFFFAOYSA-N -1 3 244.335 0.945 20 0 BCADHM O=C(CCc1nnc[nH]1)[N-]OC1CCCC1 ZINC000775276959 585674861 /nfs/dbraw/zinc/67/48/61/585674861.db2.gz OIWMAAAAGBZDLS-UHFFFAOYSA-N -1 3 224.264 0.728 20 0 BCADHM O=C(CCc1nc[nH]n1)[N-]OC1CCCC1 ZINC000775276959 585674862 /nfs/dbraw/zinc/67/48/62/585674862.db2.gz OIWMAAAAGBZDLS-UHFFFAOYSA-N -1 3 224.264 0.728 20 0 BCADHM CC(C)[C@H](N[C@H](C)C(=O)[O-])C(=O)N1CCCC1 ZINC000775423400 585677838 /nfs/dbraw/zinc/67/78/38/585677838.db2.gz NIXWZIBKJSTHJD-ZJUUUORDSA-N -1 3 242.319 0.696 20 0 BCADHM Cc1n[n-]nc1C(=O)OCC1(C)COC1 ZINC000805546019 585678674 /nfs/dbraw/zinc/67/86/74/585678674.db2.gz CEJFAFQNURJHQC-UHFFFAOYSA-N -1 3 211.221 0.306 20 0 BCADHM Cc1cnc(COC(=O)c2n[n-]nc2C)o1 ZINC000805546338 585679298 /nfs/dbraw/zinc/67/92/98/585679298.db2.gz HCEIXKQWFDXXHH-UHFFFAOYSA-N -1 3 222.204 0.767 20 0 BCADHM CCCCOC(=O)COC(=O)c1n[n-]nc1C ZINC000805547615 585681029 /nfs/dbraw/zinc/68/10/29/585681029.db2.gz WEVUOHOSENAGRK-UHFFFAOYSA-N -1 3 241.247 0.613 20 0 BCADHM C[C@@H](C(=O)[N-]OC1CCCC1)N(C)C ZINC000775600254 585681476 /nfs/dbraw/zinc/68/14/76/585681476.db2.gz JGDKYZUZRGMFHK-QMMMGPOBSA-N -1 3 200.282 0.927 20 0 BCADHM Cc1cnc(NC([O-])=NOCCO)s1 ZINC000776295305 585695051 /nfs/dbraw/zinc/69/50/51/585695051.db2.gz DTOJRKKYPNOFAU-UHFFFAOYSA-N -1 3 217.250 0.497 20 0 BCADHM Cc1cnc(NC(=O)[N-]OCCO)s1 ZINC000776295305 585695052 /nfs/dbraw/zinc/69/50/52/585695052.db2.gz DTOJRKKYPNOFAU-UHFFFAOYSA-N -1 3 217.250 0.497 20 0 BCADHM CCOc1ncccc1NC([O-])=NOCCO ZINC000776296922 585695175 /nfs/dbraw/zinc/69/51/75/585695175.db2.gz YBGCPCYPDWQRCX-UHFFFAOYSA-N -1 3 241.247 0.526 20 0 BCADHM CCOc1ncccc1NC(=O)[N-]OCCO ZINC000776296922 585695176 /nfs/dbraw/zinc/69/51/76/585695176.db2.gz YBGCPCYPDWQRCX-UHFFFAOYSA-N -1 3 241.247 0.526 20 0 BCADHM COc1ccc(NC([O-])=NOCCO)c(C)n1 ZINC000776307219 585695631 /nfs/dbraw/zinc/69/56/31/585695631.db2.gz WDLYMYZMQPUPNU-UHFFFAOYSA-N -1 3 241.247 0.444 20 0 BCADHM COc1ccc(NC(=O)[N-]OCCO)c(C)n1 ZINC000776307219 585695632 /nfs/dbraw/zinc/69/56/32/585695632.db2.gz WDLYMYZMQPUPNU-UHFFFAOYSA-N -1 3 241.247 0.444 20 0 BCADHM C[C@@H]1CC[C@H](CCC(=O)[N-]OCCO)O1 ZINC000776583322 585701355 /nfs/dbraw/zinc/70/13/55/585701355.db2.gz GAFMEFGUILWVSF-RKDXNWHRSA-N -1 3 217.265 0.374 20 0 BCADHM O=C(CC[C@@H]1CCCCO1)[N-]OCCO ZINC000776583534 585701637 /nfs/dbraw/zinc/70/16/37/585701637.db2.gz IZCWMHHUCUJZRA-VIFPVBQESA-N -1 3 217.265 0.376 20 0 BCADHM O=C([N-]N1CN=NC1=O)c1ccnc(Cl)c1 ZINC000777769710 585719888 /nfs/dbraw/zinc/71/98/88/585719888.db2.gz XBNMQZVVHGBVOE-UHFFFAOYSA-N -1 3 239.622 0.416 20 0 BCADHM C[C@@H](OC(=O)c1cnn[n-]1)C(=O)C1CC1 ZINC000805603035 585727617 /nfs/dbraw/zinc/72/76/17/585727617.db2.gz CXCQIUAOOBLAGQ-RXMQYKEDSA-N -1 3 209.205 0.329 20 0 BCADHM C[C@@H](OC(=O)c1c[n-]nn1)C(=O)C1CC1 ZINC000805603035 585727618 /nfs/dbraw/zinc/72/76/18/585727618.db2.gz CXCQIUAOOBLAGQ-RXMQYKEDSA-N -1 3 209.205 0.329 20 0 BCADHM CC(C)COC(=O)COC(=O)c1cnn[n-]1 ZINC000805603603 585728648 /nfs/dbraw/zinc/72/86/48/585728648.db2.gz QUSFNYWPMIOSTJ-UHFFFAOYSA-N -1 3 227.220 0.161 20 0 BCADHM CC(C)COC(=O)COC(=O)c1c[n-]nn1 ZINC000805603603 585728649 /nfs/dbraw/zinc/72/86/49/585728649.db2.gz QUSFNYWPMIOSTJ-UHFFFAOYSA-N -1 3 227.220 0.161 20 0 BCADHM O=C(OCCOCC(F)F)c1cnn[n-]1 ZINC000805604208 585730463 /nfs/dbraw/zinc/73/04/63/585730463.db2.gz ZEOZONOUPLGEAP-UHFFFAOYSA-N -1 3 221.163 0.243 20 0 BCADHM O=C(OCCOCC(F)F)c1c[n-]nn1 ZINC000805604208 585730464 /nfs/dbraw/zinc/73/04/64/585730464.db2.gz ZEOZONOUPLGEAP-UHFFFAOYSA-N -1 3 221.163 0.243 20 0 BCADHM CC(C)COCCOC(=O)c1cnn[n-]1 ZINC000805605102 585731699 /nfs/dbraw/zinc/73/16/99/585731699.db2.gz JERBDEZXYVNIPV-UHFFFAOYSA-N -1 3 213.237 0.634 20 0 BCADHM CC(C)COCCOC(=O)c1c[n-]nn1 ZINC000805605102 585731700 /nfs/dbraw/zinc/73/17/00/585731700.db2.gz JERBDEZXYVNIPV-UHFFFAOYSA-N -1 3 213.237 0.634 20 0 BCADHM CC(C)(C)OC(=O)COC(=O)c1cnn[n-]1 ZINC000805605756 585732314 /nfs/dbraw/zinc/73/23/14/585732314.db2.gz NTIQDLOOISTGPE-UHFFFAOYSA-N -1 3 227.220 0.303 20 0 BCADHM CC(C)(C)OC(=O)COC(=O)c1c[n-]nn1 ZINC000805605756 585732315 /nfs/dbraw/zinc/73/23/15/585732315.db2.gz NTIQDLOOISTGPE-UHFFFAOYSA-N -1 3 227.220 0.303 20 0 BCADHM CCCCNC(=O)[C@@H](C)OC(=O)c1cnn[n-]1 ZINC000805605669 585732372 /nfs/dbraw/zinc/73/23/72/585732372.db2.gz MASLEVUOGGFYHZ-SSDOTTSWSA-N -1 3 240.263 0.266 20 0 BCADHM CCCCNC(=O)[C@@H](C)OC(=O)c1c[n-]nn1 ZINC000805605669 585732373 /nfs/dbraw/zinc/73/23/73/585732373.db2.gz MASLEVUOGGFYHZ-SSDOTTSWSA-N -1 3 240.263 0.266 20 0 BCADHM O=C(OC[C@@H]1CC2(CC2)C(=O)O1)c1cnn[n-]1 ZINC000805606611 585733322 /nfs/dbraw/zinc/73/33/22/585733322.db2.gz ZKOAPJAMKZCCNC-LURJTMIESA-N -1 3 237.215 0.057 20 0 BCADHM O=C(OC[C@@H]1CC2(CC2)C(=O)O1)c1c[n-]nn1 ZINC000805606611 585733323 /nfs/dbraw/zinc/73/33/23/585733323.db2.gz ZKOAPJAMKZCCNC-LURJTMIESA-N -1 3 237.215 0.057 20 0 BCADHM O=C(OCCCn1ccnc1)c1cnn[n-]1 ZINC000805607375 585734854 /nfs/dbraw/zinc/73/48/54/585734854.db2.gz VRDRPBZBMUIFMJ-UHFFFAOYSA-N -1 3 221.220 0.248 20 0 BCADHM O=C(OCCCn1ccnc1)c1c[n-]nn1 ZINC000805607375 585734855 /nfs/dbraw/zinc/73/48/55/585734855.db2.gz VRDRPBZBMUIFMJ-UHFFFAOYSA-N -1 3 221.220 0.248 20 0 BCADHM O=C(OCCCn1ccnc1)c1cn[n-]n1 ZINC000805607375 585734856 /nfs/dbraw/zinc/73/48/56/585734856.db2.gz VRDRPBZBMUIFMJ-UHFFFAOYSA-N -1 3 221.220 0.248 20 0 BCADHM C[C@H]1CC[C@@H](COC(=O)c2cnn[n-]2)O1 ZINC000805608870 585735721 /nfs/dbraw/zinc/73/57/21/585735721.db2.gz JYCAVEQTMNRVTA-BQBZGAKWSA-N -1 3 211.221 0.529 20 0 BCADHM C[C@H]1CC[C@@H](COC(=O)c2c[n-]nn2)O1 ZINC000805608870 585735722 /nfs/dbraw/zinc/73/57/22/585735722.db2.gz JYCAVEQTMNRVTA-BQBZGAKWSA-N -1 3 211.221 0.529 20 0 BCADHM CCCOC(=O)[C@@H](C)OC(=O)c1cnn[n-]1 ZINC000805609300 585735952 /nfs/dbraw/zinc/73/59/52/585735952.db2.gz QCVNZRGPAGQMDS-ZCFIWIBFSA-N -1 3 227.220 0.303 20 0 BCADHM CCCOC(=O)[C@@H](C)OC(=O)c1c[n-]nn1 ZINC000805609300 585735953 /nfs/dbraw/zinc/73/59/53/585735953.db2.gz QCVNZRGPAGQMDS-ZCFIWIBFSA-N -1 3 227.220 0.303 20 0 BCADHM CC(=O)[N-]OCc1ncnn1CC(C)C ZINC000778592390 585737883 /nfs/dbraw/zinc/73/78/83/585737883.db2.gz JUFGTCSNGOISTP-UHFFFAOYSA-N -1 3 212.253 0.502 20 0 BCADHM Cc1cc(C(=O)O[C@@H]2CCNC2=O)ccc1[O-] ZINC000778853082 585741758 /nfs/dbraw/zinc/74/17/58/585741758.db2.gz IFWWNNWJGNMMMC-SNVBAGLBSA-N -1 3 235.239 0.746 20 0 BCADHM O=C([N-]OC1CCCCC1)[C@@H]1CCC(=O)NC1 ZINC000779319641 585751050 /nfs/dbraw/zinc/75/10/50/585751050.db2.gz COSGAWUKJQCMKN-SECBINFHSA-N -1 3 240.303 0.893 20 0 BCADHM O=C([N-]N1CCCNC1=O)c1cccnc1 ZINC000779372357 585752907 /nfs/dbraw/zinc/75/29/07/585752907.db2.gz OUEQBTIRCXZCFW-UHFFFAOYSA-N -1 3 220.232 0.142 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1CCCCC1 ZINC000779465490 585755444 /nfs/dbraw/zinc/75/54/44/585755444.db2.gz HSFZUZSJUQGIBD-UHFFFAOYSA-N -1 3 209.253 0.729 20 0 BCADHM CNC(=O)CCCCC(=O)[N-]OCC(C)C ZINC000779654407 585758346 /nfs/dbraw/zinc/75/83/46/585758346.db2.gz XSJXXYCIWWDBCQ-UHFFFAOYSA-N -1 3 230.308 0.997 20 0 BCADHM C[C@H](O)CN(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000779670082 585758651 /nfs/dbraw/zinc/75/86/51/585758651.db2.gz XRUQRIQYZXOFOP-TYRPZCRBSA-N -1 3 236.271 0.640 20 0 BCADHM C[C@@H]1CN(C(=O)/C=C\c2cncc([O-])c2)C[C@@H]1O ZINC000779678825 585758674 /nfs/dbraw/zinc/75/86/74/585758674.db2.gz FXEXWPDFFCFADA-QBQLBGLSSA-N -1 3 248.282 0.640 20 0 BCADHM CC[C@@H](OC(=O)c1ccc([O-])cc1O)C(N)=O ZINC000780060486 585771999 /nfs/dbraw/zinc/77/19/99/585771999.db2.gz LEHMODDNTBOINF-SECBINFHSA-N -1 3 239.227 0.519 20 0 BCADHM c1[n-][nH]c2ncnc(=NC[C@H]3CCC=CO3)c1-2 ZINC000780172076 585773457 /nfs/dbraw/zinc/77/34/57/585773457.db2.gz WLEDOBXPSSKBNH-MRVPVSSYSA-N -1 3 231.259 0.831 20 0 BCADHM CC/C(C)=C(/C)C(=O)[N-]OCC(N)=O ZINC000781014636 585788691 /nfs/dbraw/zinc/78/86/91/585788691.db2.gz QYVFNPZHGDVXMB-SREVYHEPSA-N -1 3 200.238 0.266 20 0 BCADHM O=C(c1cc2n[n-]nc2cc1F)N1CCC1 ZINC000781886198 585804585 /nfs/dbraw/zinc/80/45/85/585804585.db2.gz JPNFGUOCFDMFLK-UHFFFAOYSA-N -1 3 220.207 0.943 20 0 BCADHM O=C(Cc1cncs1)[N-]C1=NCCS1 ZINC000782233038 585812829 /nfs/dbraw/zinc/81/28/29/585812829.db2.gz YPAOWTJDUMBKPE-UHFFFAOYSA-N -1 3 227.314 0.905 20 0 BCADHM O=C(Nc1cccc2c1OCO2)c1nc[n-]n1 ZINC000782829507 585824777 /nfs/dbraw/zinc/82/47/77/585824777.db2.gz XFIYUBKKAXIZPP-UHFFFAOYSA-N -1 3 232.199 0.786 20 0 BCADHM O=C(N[C@H](CO)C1CC1)c1cccc2nn[n-]c21 ZINC000783692398 585840325 /nfs/dbraw/zinc/84/03/25/585840325.db2.gz SWXABEVTRKWTCU-SNVBAGLBSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(N[C@H](CO)C1CC1)c1cccc2[n-]nnc21 ZINC000783692398 585840326 /nfs/dbraw/zinc/84/03/26/585840326.db2.gz SWXABEVTRKWTCU-SNVBAGLBSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(N[C@H](CO)C1CC1)c1cccc2n[n-]nc21 ZINC000783692398 585840327 /nfs/dbraw/zinc/84/03/27/585840327.db2.gz SWXABEVTRKWTCU-SNVBAGLBSA-N -1 3 246.270 0.459 20 0 BCADHM Cc1ccc([O-])c(CN2CC(=O)N(C)C[C@H]2C)n1 ZINC000783734898 585841067 /nfs/dbraw/zinc/84/10/67/585841067.db2.gz WTJUXKXVUUWRRD-SNVBAGLBSA-N -1 3 249.314 0.758 20 0 BCADHM O=C(c1ccccc1[O-])N1C[C@@H]2C[C@]2(CO)C1 ZINC000783803522 585843636 /nfs/dbraw/zinc/84/36/36/585843636.db2.gz AOEMIUACWNRJPK-TVQRCGJNSA-N -1 3 233.267 0.847 20 0 BCADHM COc1nc(NC(=O)[C@H](F)C(C)C)n[n-]1 ZINC000784461088 585860694 /nfs/dbraw/zinc/86/06/94/585860694.db2.gz OZXDCKJCRQDSRB-RXMQYKEDSA-N -1 3 216.216 0.746 20 0 BCADHM COc1nnc(NC(=O)[C@H](F)C(C)C)[n-]1 ZINC000784461088 585860695 /nfs/dbraw/zinc/86/06/95/585860695.db2.gz OZXDCKJCRQDSRB-RXMQYKEDSA-N -1 3 216.216 0.746 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](F)C(C)C)n1 ZINC000784461088 585860696 /nfs/dbraw/zinc/86/06/96/585860696.db2.gz OZXDCKJCRQDSRB-RXMQYKEDSA-N -1 3 216.216 0.746 20 0 BCADHM Cc1[n-]nc(C(C)C)c1C(=O)O[C@H](C)C(N)=O ZINC000786341875 585889739 /nfs/dbraw/zinc/88/97/39/585889739.db2.gz HGBZWQNALHAUQB-SSDOTTSWSA-N -1 3 239.275 0.872 20 0 BCADHM Cc1n[n-]c(C(C)C)c1C(=O)O[C@H](C)C(N)=O ZINC000786341875 585889740 /nfs/dbraw/zinc/88/97/40/585889740.db2.gz HGBZWQNALHAUQB-SSDOTTSWSA-N -1 3 239.275 0.872 20 0 BCADHM CNC(=O)COC(=O)c1c(C)[n-]nc1C(C)C ZINC000786343375 585890050 /nfs/dbraw/zinc/89/00/50/585890050.db2.gz KMQPTCOCLZUMMC-UHFFFAOYSA-N -1 3 239.275 0.744 20 0 BCADHM CNC(=O)COC(=O)c1c(C)n[n-]c1C(C)C ZINC000786343375 585890051 /nfs/dbraw/zinc/89/00/51/585890051.db2.gz KMQPTCOCLZUMMC-UHFFFAOYSA-N -1 3 239.275 0.744 20 0 BCADHM O=C(/C=C\c1ccccc1F)[N-]OCCO ZINC000787286012 585904847 /nfs/dbraw/zinc/90/48/47/585904847.db2.gz RNISQGRDIRRHJW-WAYWQWQTSA-N -1 3 225.219 0.879 20 0 BCADHM O=C(CCc1ccc(F)cc1F)[N-]OCCO ZINC000787286524 585905039 /nfs/dbraw/zinc/90/50/39/585905039.db2.gz IMSSJUVAEYGPFU-UHFFFAOYSA-N -1 3 245.225 0.938 20 0 BCADHM O=C(CCc1ccccc1O)[N-]OCCO ZINC000787286230 585905048 /nfs/dbraw/zinc/90/50/48/585905048.db2.gz BNKMRRYTFLQCIX-UHFFFAOYSA-N -1 3 225.244 0.365 20 0 BCADHM O=C(Cc1ccc2c(c1)CCO2)[N-]OCCO ZINC000787291324 585905262 /nfs/dbraw/zinc/90/52/62/585905262.db2.gz KWQIMAJPEGYOCN-UHFFFAOYSA-N -1 3 237.255 0.204 20 0 BCADHM COC1CCC(CC(=O)[N-]OCCO)CC1 ZINC000787295674 585905812 /nfs/dbraw/zinc/90/58/12/585905812.db2.gz YRLYCJODRBBQOD-UHFFFAOYSA-N -1 3 231.292 0.622 20 0 BCADHM COC(=O)[C@](C)([N-]C(=O)C(F)F)C1CC1 ZINC000787380638 585908480 /nfs/dbraw/zinc/90/84/80/585908480.db2.gz NRMFHZKNUZFAET-SECBINFHSA-N -1 3 221.203 0.709 20 0 BCADHM O=C([N-]C[C@@H](O)c1ccco1)C(F)F ZINC000787426598 585909303 /nfs/dbraw/zinc/90/93/03/585909303.db2.gz IRVDLKNNWBKNJS-RXMQYKEDSA-N -1 3 205.160 0.694 20 0 BCADHM CC(C)c1nnc(C[N-]C(=O)C(F)F)n1C ZINC000787502114 585910749 /nfs/dbraw/zinc/91/07/49/585910749.db2.gz QQCUGPLRZBEIOK-UHFFFAOYSA-N -1 3 232.234 0.820 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1CCCN1C1CC1 ZINC000787532929 585911060 /nfs/dbraw/zinc/91/10/60/585911060.db2.gz HPWXWEFKHRXVMQ-LLVKDONJSA-N -1 3 242.319 0.698 20 0 BCADHM C[C@@H](O)COC(=O)c1ccc([O-])cc1O ZINC000787593991 585912678 /nfs/dbraw/zinc/91/26/78/585912678.db2.gz YSNIIBXZUVZLQD-ZCFIWIBFSA-N -1 3 212.201 0.635 20 0 BCADHM CS/C=C/C(=O)[N-]OC[C@H]1CCOC1 ZINC000788269665 585919905 /nfs/dbraw/zinc/91/99/05/585919905.db2.gz CTVKZQRYDWEXRU-WGAJWPLOSA-N -1 3 217.290 0.947 20 0 BCADHM CS/C=C\C(=O)[N-]OC[C@H]1CCOC1 ZINC000788269659 585920361 /nfs/dbraw/zinc/92/03/61/585920361.db2.gz CTVKZQRYDWEXRU-NHLYECAPSA-N -1 3 217.290 0.947 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788272583 585920636 /nfs/dbraw/zinc/92/06/36/585920636.db2.gz CIUGEJKQDVDYAH-ZJUUUORDSA-N -1 3 228.292 0.165 20 0 BCADHM Cn1nccc1NC([O-])=NOC[C@H]1CCOC1 ZINC000788295036 585921278 /nfs/dbraw/zinc/92/12/78/585921278.db2.gz AGFMNNOWTOBFIZ-QMMMGPOBSA-N -1 3 240.263 0.510 20 0 BCADHM Cn1nccc1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000788295036 585921279 /nfs/dbraw/zinc/92/12/79/585921279.db2.gz AGFMNNOWTOBFIZ-QMMMGPOBSA-N -1 3 240.263 0.510 20 0 BCADHM CN(C)C1(C(=O)[N-]OC[C@H]2CCOC2)CCC1 ZINC000788571311 585926876 /nfs/dbraw/zinc/92/68/76/585926876.db2.gz PGVYOFBJKNQDCB-JTQLQIEISA-N -1 3 242.319 0.555 20 0 BCADHM COC(=O)CCCC(=O)[N-]OC[C@H]1CCOC1 ZINC000788591616 585927502 /nfs/dbraw/zinc/92/75/02/585927502.db2.gz LXLVAYXGIPSCCS-VIFPVBQESA-N -1 3 245.275 0.414 20 0 BCADHM CCOC(=O)[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000788648374 585928076 /nfs/dbraw/zinc/92/80/76/585928076.db2.gz LZNHQWXVXKZMNP-YFKPBYRVSA-N -1 3 244.272 0.530 20 0 BCADHM CC(C)n1nccc1NC([O-])=NOCCO ZINC000790577288 585966450 /nfs/dbraw/zinc/96/64/50/585966450.db2.gz XSCPIDKZMVTNMI-UHFFFAOYSA-N -1 3 228.252 0.509 20 0 BCADHM CC(C)n1nccc1NC(=O)[N-]OCCO ZINC000790577288 585966451 /nfs/dbraw/zinc/96/64/51/585966451.db2.gz XSCPIDKZMVTNMI-UHFFFAOYSA-N -1 3 228.252 0.509 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C[C@@H]1CCCCO1 ZINC000791264536 585975792 /nfs/dbraw/zinc/97/57/92/585975792.db2.gz SXWSYSKUJAHVQO-VIFPVBQESA-N -1 3 231.292 0.764 20 0 BCADHM CO[C@@H](C(=O)[N-]C1=NCCS1)C1CC1 ZINC000791495107 585982195 /nfs/dbraw/zinc/98/21/95/585982195.db2.gz WBQNOEKFJTYKJZ-SSDOTTSWSA-N -1 3 214.290 0.630 20 0 BCADHM COc1cc(C(=O)OC[C@H](C)O)ccc1[O-] ZINC000792016999 585993711 /nfs/dbraw/zinc/99/37/11/585993711.db2.gz RMASBPYUAJXCPW-ZETCQYMHSA-N -1 3 226.228 0.938 20 0 BCADHM C[C@@](CO)(NC(=O)c1csc(=O)[n-]1)C1CC1 ZINC000792236981 585998396 /nfs/dbraw/zinc/99/83/96/585998396.db2.gz FJROFAFNPYZNKV-JTQLQIEISA-N -1 3 242.300 0.740 20 0 BCADHM CCCn1cc(NC([O-])=NOCCO)cn1 ZINC000792320756 585999713 /nfs/dbraw/zinc/99/97/13/585999713.db2.gz MAQAQVHXJCDEGC-UHFFFAOYSA-N -1 3 228.252 0.339 20 0 BCADHM CCCn1cc(NC(=O)[N-]OCCO)cn1 ZINC000792320756 585999714 /nfs/dbraw/zinc/99/97/14/585999714.db2.gz MAQAQVHXJCDEGC-UHFFFAOYSA-N -1 3 228.252 0.339 20 0 BCADHM Cc1ccnc(NC([O-])=NOCCO)c1 ZINC000792357230 585999998 /nfs/dbraw/zinc/99/99/98/585999998.db2.gz BDJZCHMIKXXULA-UHFFFAOYSA-N -1 3 211.221 0.435 20 0 BCADHM Cc1ccnc(NC(=O)[N-]OCCO)c1 ZINC000792357230 585999999 /nfs/dbraw/zinc/99/99/99/585999999.db2.gz BDJZCHMIKXXULA-UHFFFAOYSA-N -1 3 211.221 0.435 20 0 BCADHM Cc1cc(C)nc(NC([O-])=NOCCO)c1 ZINC000792366463 586000094 /nfs/dbraw/zinc/00/00/94/586000094.db2.gz ULROZWIKNALETI-UHFFFAOYSA-N -1 3 225.248 0.744 20 0 BCADHM Cc1cc(C)nc(NC(=O)[N-]OCCO)c1 ZINC000792366463 586000095 /nfs/dbraw/zinc/00/00/95/586000095.db2.gz ULROZWIKNALETI-UHFFFAOYSA-N -1 3 225.248 0.744 20 0 BCADHM CC(C)C1(O)CN(C(=O)c2csc(=O)[n-]2)C1 ZINC000792484770 586001203 /nfs/dbraw/zinc/00/12/03/586001203.db2.gz IPNZCJUBOVAIBO-UHFFFAOYSA-N -1 3 242.300 0.692 20 0 BCADHM O=C(NCc1ncccc1[O-])c1cc[n+]([O-])cc1 ZINC000792611724 586003429 /nfs/dbraw/zinc/00/34/29/586003429.db2.gz JOTHZMIYKVZHAK-UHFFFAOYSA-N -1 3 245.238 0.351 20 0 BCADHM CC[C@H](C)CC[C@@H](O)CC(=O)[N-]OCC(N)=O ZINC000793773211 586026167 /nfs/dbraw/zinc/02/61/67/586026167.db2.gz LPFNIAHLMACPHN-DTWKUNHWSA-N -1 3 246.307 0.097 20 0 BCADHM CC[C@@H](C)CC[C@H](O)CC(=O)[N-]OCCO ZINC000793857515 586027868 /nfs/dbraw/zinc/02/78/68/586027868.db2.gz VJRBZTJLZZIWCE-ZJUUUORDSA-N -1 3 233.308 0.604 20 0 BCADHM CO[C@@H]1CCC[C@@H](CC(=O)[N-]OCCO)C1 ZINC000793854450 586027903 /nfs/dbraw/zinc/02/79/03/586027903.db2.gz IMEFTRMBEPLJLW-NXEZZACHSA-N -1 3 231.292 0.622 20 0 BCADHM CC[C@H](C)CC[C@@H](O)CC(=O)[N-]OCCO ZINC000793857513 586027945 /nfs/dbraw/zinc/02/79/45/586027945.db2.gz VJRBZTJLZZIWCE-VHSXEESVSA-N -1 3 233.308 0.604 20 0 BCADHM CSCCO[N-]C(=O)[C@H]1CCCN1C ZINC000794185159 586033409 /nfs/dbraw/zinc/03/34/09/586033409.db2.gz YRWKBQUTHLNMJA-MRVPVSSYSA-N -1 3 218.322 0.491 20 0 BCADHM CSCCO[N-]C(=O)[C@H]1CCCCN1C ZINC000794184632 586034484 /nfs/dbraw/zinc/03/44/84/586034484.db2.gz SXOIMAVEHVRIJL-SECBINFHSA-N -1 3 232.349 0.882 20 0 BCADHM CSCCO[N-]C(=O)CCc1nnc[nH]1 ZINC000794190453 586034702 /nfs/dbraw/zinc/03/47/02/586034702.db2.gz WZJYAOSIDOUNMP-UHFFFAOYSA-N -1 3 230.293 0.148 20 0 BCADHM CC[C@@H](C(=O)[N-]OCCSC)N(C)C ZINC000794190435 586034733 /nfs/dbraw/zinc/03/47/33/586034733.db2.gz DOSDJUHHFUTGCO-QMMMGPOBSA-N -1 3 220.338 0.737 20 0 BCADHM OCc1nnc(Sc2cncc(Cl)n2)[n-]1 ZINC000795162879 586069709 /nfs/dbraw/zinc/06/97/09/586069709.db2.gz BAAQYZYJSLBQEP-UHFFFAOYSA-N -1 3 243.679 0.892 20 0 BCADHM OCc1nc(Sc2cncc(Cl)n2)n[n-]1 ZINC000795162879 586069711 /nfs/dbraw/zinc/06/97/11/586069711.db2.gz BAAQYZYJSLBQEP-UHFFFAOYSA-N -1 3 243.679 0.892 20 0 BCADHM O=C([N-]N1CN=NC1=O)c1cc2[nH]ccc2s1 ZINC000795224962 586072909 /nfs/dbraw/zinc/07/29/09/586072909.db2.gz BBCDHVORRNNSTL-UHFFFAOYSA-N -1 3 249.255 0.910 20 0 BCADHM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccoc1 ZINC000795803232 586092710 /nfs/dbraw/zinc/09/27/10/586092710.db2.gz HZDGPKBIVXQWTM-SSDOTTSWSA-N -1 3 247.272 0.510 20 0 BCADHM Cn1c(Cl)ncc1S(=O)(=O)[N-]CCF ZINC000797843241 586132853 /nfs/dbraw/zinc/13/28/53/586132853.db2.gz VIOPJHMVPVPJBY-UHFFFAOYSA-N -1 3 241.675 0.321 20 0 BCADHM CCO[N-]C(=O)C[C@H]1CCCC[C@@H]1O ZINC000798154286 586138379 /nfs/dbraw/zinc/13/83/79/586138379.db2.gz CUSQPHXWOCKEMY-BDAKNGLRSA-N -1 3 201.266 0.995 20 0 BCADHM COCCON=C([O-])Nc1cncc(F)c1 ZINC000799235573 586168412 /nfs/dbraw/zinc/16/84/12/586168412.db2.gz IAVIWBGCTNGNJX-UHFFFAOYSA-N -1 3 229.211 0.920 20 0 BCADHM COCCO[N-]C(=O)Nc1cncc(F)c1 ZINC000799235573 586168413 /nfs/dbraw/zinc/16/84/13/586168413.db2.gz IAVIWBGCTNGNJX-UHFFFAOYSA-N -1 3 229.211 0.920 20 0 BCADHM Cc1cc([O-])ccc1C(=O)OCc1nnn(C)n1 ZINC000799504269 586182309 /nfs/dbraw/zinc/18/23/09/586182309.db2.gz WQNXBIOWRJTQRH-UHFFFAOYSA-N -1 3 248.242 0.581 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H](O)C(C)(C)C ZINC000803527112 586364215 /nfs/dbraw/zinc/36/42/15/586364215.db2.gz UOKBQTPEKPEYGV-ZETCQYMHSA-N -1 3 226.280 0.644 20 0 BCADHM C[C@@](O)(C(=O)[N-]C1=NCCS1)C1CC1 ZINC000804183904 586385434 /nfs/dbraw/zinc/38/54/34/586385434.db2.gz GHGXBUBLUQVFEH-VIFPVBQESA-N -1 3 214.290 0.366 20 0 BCADHM CC(C)[C@H]([N-]C(=O)C(F)F)c1nncn1C ZINC000804260542 586386340 /nfs/dbraw/zinc/38/63/40/586386340.db2.gz JHNICUGLYHFANO-LURJTMIESA-N -1 3 232.234 0.894 20 0 BCADHM Cn1cc(C[N-]C(=O)C(C)(F)F)nn1 ZINC000808465631 586474212 /nfs/dbraw/zinc/47/42/12/586474212.db2.gz AZJDFPNJENZLST-UHFFFAOYSA-N -1 3 204.180 0.087 20 0 BCADHM CN1CCC[C@H]([N-]C(=O)C(C)(F)F)C1=O ZINC000808464593 586474429 /nfs/dbraw/zinc/47/44/29/586474429.db2.gz SXDLGZOAUGIRPH-LURJTMIESA-N -1 3 220.219 0.379 20 0 BCADHM COC(=O)CCCCOC(=O)c1n[n-]nc1C ZINC000859671176 589053999 /nfs/dbraw/zinc/05/39/99/589053999.db2.gz HANIUYMKRXNYDW-UHFFFAOYSA-N -1 3 241.247 0.613 20 0 BCADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ncnn1C ZINC000808466311 586474856 /nfs/dbraw/zinc/47/48/56/586474856.db2.gz IDSJRLFIAUXHGE-YFKPBYRVSA-N -1 3 218.207 0.648 20 0 BCADHM COc1cncc(COC(=O)c2n[n-]nc2C)c1 ZINC000808546074 586479332 /nfs/dbraw/zinc/47/93/32/586479332.db2.gz ZISKMTCDDMZDGT-UHFFFAOYSA-N -1 3 248.242 0.874 20 0 BCADHM Cn1cc(C(=O)[N-]c2cccc3nonc32)nn1 ZINC000808800910 586490741 /nfs/dbraw/zinc/49/07/41/586490741.db2.gz PKPCAMXTTDZNSN-UHFFFAOYSA-N -1 3 244.214 0.604 20 0 BCADHM CO[N-]C(=O)C[C@@H](CC(C)(C)C)C(=O)NOC ZINC000809595862 586508634 /nfs/dbraw/zinc/50/86/34/586508634.db2.gz SZOZQDDTKPMANJ-QMMMGPOBSA-N -1 3 246.307 0.784 20 0 BCADHM COC(=O)C[C@H](C)CC(=O)[N-]OCC(F)F ZINC000809765255 586518322 /nfs/dbraw/zinc/51/83/22/586518322.db2.gz MYPIHGOMGAJQHR-ZCFIWIBFSA-N -1 3 239.218 0.889 20 0 BCADHM Cn1ncc(CO[N-]C(=O)C(C)(C)C)n1 ZINC000809995580 586529327 /nfs/dbraw/zinc/52/93/27/586529327.db2.gz SJXJCZTXYODPNW-UHFFFAOYSA-N -1 3 212.253 0.409 20 0 BCADHM CC(C)CCS(=O)(=O)[N-][C@]1(C)CCOC1=O ZINC000810101745 586534160 /nfs/dbraw/zinc/53/41/60/586534160.db2.gz BORAJEDYYSLNBM-SNVBAGLBSA-N -1 3 249.332 0.658 20 0 BCADHM CCCCS(=O)(=O)[N-][C@@]1(C)CCOC1=O ZINC000810103350 586534408 /nfs/dbraw/zinc/53/44/08/586534408.db2.gz PUANOEWZQPTWRF-VIFPVBQESA-N -1 3 235.305 0.412 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C[C@@H]1CCOC1 ZINC000811559474 586561297 /nfs/dbraw/zinc/56/12/97/586561297.db2.gz ATDCCHYZWZAXCY-VIFPVBQESA-N -1 3 245.275 0.414 20 0 BCADHM COCCC(=O)[N-]OCCCC(=O)OC ZINC000811561529 586561301 /nfs/dbraw/zinc/56/13/01/586561301.db2.gz QKYVEMHISIOLBW-UHFFFAOYSA-N -1 3 219.237 0.024 20 0 BCADHM O=C(CCCn1cncn1)[N-]OC/C=C/Cl ZINC000812405937 586576113 /nfs/dbraw/zinc/57/61/13/586576113.db2.gz LBXMREZMGOKLKI-DUXPYHPUSA-N -1 3 244.682 0.859 20 0 BCADHM NC(=O)CCCCC(=O)[N-]OC/C=C\Cl ZINC000812404674 586576159 /nfs/dbraw/zinc/57/61/59/586576159.db2.gz ILTQLZJAUJZZGV-UTCJRWHESA-N -1 3 234.683 0.832 20 0 BCADHM Cn1cc(C(=O)[N-]OC/C=C\Cl)ccc1=O ZINC000812406539 586576178 /nfs/dbraw/zinc/57/61/78/586576178.db2.gz GJSVJHCXZHIMFO-DJWKRKHSSA-N -1 3 242.662 0.799 20 0 BCADHM O=C([N-]OC/C=C\Cl)[C@@H]1CCC(=O)NC1 ZINC000812408359 586576490 /nfs/dbraw/zinc/57/64/90/586576490.db2.gz PUARZFLTLUQERZ-MQDQFQHWSA-N -1 3 232.667 0.313 20 0 BCADHM COCCO[N-]C(=O)CCc1ncccn1 ZINC000812528080 586578564 /nfs/dbraw/zinc/57/85/64/586578564.db2.gz XVOPEXVZLJYTMS-UHFFFAOYSA-N -1 3 225.248 0.103 20 0 BCADHM CSCCO[N-]C(=O)CCc1ncccn1 ZINC000812546725 586579038 /nfs/dbraw/zinc/57/90/38/586579038.db2.gz JXWUFFBZLLZDLU-UHFFFAOYSA-N -1 3 241.316 0.820 20 0 BCADHM O=C(CCCn1cncn1)[N-]OC1CCC1 ZINC000812792702 586585500 /nfs/dbraw/zinc/58/55/00/586585500.db2.gz GUJQZCFOBXEDNV-UHFFFAOYSA-N -1 3 224.264 0.659 20 0 BCADHM CC(C)OCCO[N-]C(=O)CCc1c[nH]cn1 ZINC000812804142 586586696 /nfs/dbraw/zinc/58/66/96/586586696.db2.gz BPMVZXSOIXAEOS-UHFFFAOYSA-N -1 3 241.291 0.815 20 0 BCADHM CC(C)OCCO[N-]C(=O)CCc1cnc[nH]1 ZINC000812804142 586586697 /nfs/dbraw/zinc/58/66/97/586586697.db2.gz BPMVZXSOIXAEOS-UHFFFAOYSA-N -1 3 241.291 0.815 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@H]1CCCCN1C ZINC000812808686 586587447 /nfs/dbraw/zinc/58/74/47/586587447.db2.gz JNBASINDDRTSOE-LLVKDONJSA-N -1 3 244.335 0.944 20 0 BCADHM CSCCON=C([O-])Nc1cn(C)nn1 ZINC000813012295 586589185 /nfs/dbraw/zinc/58/91/85/586589185.db2.gz ZXHBXWJUMWJVDL-UHFFFAOYSA-N -1 3 231.281 0.231 20 0 BCADHM CSCCO[N-]C(=O)Nc1cn(C)nn1 ZINC000813012295 586589186 /nfs/dbraw/zinc/58/91/86/586589186.db2.gz ZXHBXWJUMWJVDL-UHFFFAOYSA-N -1 3 231.281 0.231 20 0 BCADHM Cn1cc(NC([O-])=NOC/C=C/Cl)nn1 ZINC000813011794 586589565 /nfs/dbraw/zinc/58/95/65/586589565.db2.gz NTRKDGJRJOXODP-NSCUHMNNSA-N -1 3 231.643 0.621 20 0 BCADHM Cn1cc(NC(=O)[N-]OC/C=C/Cl)nn1 ZINC000813011794 586589566 /nfs/dbraw/zinc/58/95/66/586589566.db2.gz NTRKDGJRJOXODP-NSCUHMNNSA-N -1 3 231.643 0.621 20 0 BCADHM CC(F)(F)C(=O)[N-]C1COCCOC1 ZINC000813821436 586606917 /nfs/dbraw/zinc/60/69/17/586606917.db2.gz ULRAPYPXFFPCRX-UHFFFAOYSA-N -1 3 209.192 0.173 20 0 BCADHM CCONC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814266871 586621082 /nfs/dbraw/zinc/62/10/82/586621082.db2.gz FLWKNUQPQSLIMB-UHFFFAOYSA-N -1 3 212.205 0.483 20 0 BCADHM COCCOC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814528427 586623665 /nfs/dbraw/zinc/62/36/65/586623665.db2.gz PKYFGQMPIVXZRA-UHFFFAOYSA-N -1 3 227.216 0.605 20 0 BCADHM COC(=O)[C@]1([N-]C(=O)C(C)(F)F)CCOC1 ZINC000815780593 586693786 /nfs/dbraw/zinc/69/37/86/586693786.db2.gz CCRYEEMIOVCGIU-VIFPVBQESA-N -1 3 237.202 0.090 20 0 BCADHM CC(C)(C)[C@H]([N-]C(=O)C(C)(F)F)C(N)=O ZINC000815775338 586694027 /nfs/dbraw/zinc/69/40/27/586694027.db2.gz DGADMEWNEYFSCX-RXMQYKEDSA-N -1 3 222.235 0.658 20 0 BCADHM COC(=O)c1cc(C(=O)O[C@@H]2CCOC2)c[n-]1 ZINC000815941009 586698897 /nfs/dbraw/zinc/69/88/97/586698897.db2.gz NNGALORUJPCFMS-MRVPVSSYSA-N -1 3 239.227 0.747 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CC[C@H]1CCCO1 ZINC000816381824 586723057 /nfs/dbraw/zinc/72/30/57/586723057.db2.gz WYNPOGDCPVXQPZ-SECBINFHSA-N -1 3 231.292 0.764 20 0 BCADHM Cc1ccc(CNC(C)(C)C(=O)[O-])nn1 ZINC000859807951 589062191 /nfs/dbraw/zinc/06/21/91/589062191.db2.gz FZJZKDZRGHUZJL-UHFFFAOYSA-N -1 3 209.249 0.738 20 0 BCADHM O=C([N-]Cc1cc2n(n1)CCCO2)C(F)F ZINC000816650711 586752277 /nfs/dbraw/zinc/75/22/77/586752277.db2.gz YKRCMFOYIBSBIT-UHFFFAOYSA-N -1 3 231.202 0.547 20 0 BCADHM CC(C)n1cc(C[N-]C(=O)C(F)F)nn1 ZINC000816704895 586759436 /nfs/dbraw/zinc/75/94/36/586759436.db2.gz LCAMAKZXVGSDIQ-UHFFFAOYSA-N -1 3 218.207 0.740 20 0 BCADHM CNC(=O)CCCCC(=O)[N-]OCC1CC1 ZINC000817324391 586794231 /nfs/dbraw/zinc/79/42/31/586794231.db2.gz BJWOKPNISXJVDE-UHFFFAOYSA-N -1 3 228.292 0.751 20 0 BCADHM Cn1cc(/C=C/C(=O)[N-]OCC2CC2)cn1 ZINC000817330899 586795968 /nfs/dbraw/zinc/79/59/68/586795968.db2.gz SEOQVYIIGHSGHP-SNAWJCMRSA-N -1 3 221.260 0.891 20 0 BCADHM CN1CC[C@H](C(=O)[N-]OCC2CC2)CC1=O ZINC000817349841 586798249 /nfs/dbraw/zinc/79/82/49/586798249.db2.gz JDMSBRXJYYCFMV-VIFPVBQESA-N -1 3 226.276 0.313 20 0 BCADHM CS(=O)(=O)CCCC(=O)[N-]OCCC1CC1 ZINC000817413162 586801696 /nfs/dbraw/zinc/80/16/96/586801696.db2.gz OIOCXJKFWKLWSS-UHFFFAOYSA-N -1 3 249.332 0.659 20 0 BCADHM NC(=O)NCCCCC(=O)[N-]OCCC1CC1 ZINC000817446868 586806642 /nfs/dbraw/zinc/80/66/42/586806642.db2.gz UZIXHMZFAWUOSB-UHFFFAOYSA-N -1 3 243.307 0.673 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@H]1CC12CC2 ZINC000817609942 586814079 /nfs/dbraw/zinc/81/40/79/586814079.db2.gz AXBNSUOJZBTJIT-RKDXNWHRSA-N -1 3 213.277 0.851 20 0 BCADHM C[C@@]1(C(=O)[N-]N2CN=NC2=O)CC1(F)F ZINC000817742850 586824343 /nfs/dbraw/zinc/82/43/43/586824343.db2.gz RELXJZLDRFXQCS-LURJTMIESA-N -1 3 218.163 0.099 20 0 BCADHM CCOCCNC(=O)c1ccc(N)cc1[O-] ZINC000817909951 586838169 /nfs/dbraw/zinc/83/81/69/586838169.db2.gz DSBRQQHNKKJSJB-UHFFFAOYSA-N -1 3 224.260 0.741 20 0 BCADHM CC[C@@H](C(=O)N(C)[C@H](C)C(=O)[O-])N(C)C ZINC000818132293 586872010 /nfs/dbraw/zinc/87/20/10/586872010.db2.gz NYWJRBLEHRNKHZ-SFYZADRCSA-N -1 3 216.281 0.258 20 0 BCADHM CC[C@@H](C(=O)N(C)[C@@H](C)C(=O)[O-])N(C)C ZINC000818132294 586872319 /nfs/dbraw/zinc/87/23/19/586872319.db2.gz NYWJRBLEHRNKHZ-YUMQZZPRSA-N -1 3 216.281 0.258 20 0 BCADHM CN(CC(=O)[O-])Cc1ccc(-n2ccnc2)nc1 ZINC000818402181 586890278 /nfs/dbraw/zinc/89/02/78/586890278.db2.gz AEKKGEVCOCRIKO-UHFFFAOYSA-N -1 3 246.270 0.784 20 0 BCADHM CN(CC1CC1)C(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC000818413215 586890646 /nfs/dbraw/zinc/89/06/46/586890646.db2.gz AQPSLDDMKAIZSP-JTQLQIEISA-N -1 3 240.303 0.261 20 0 BCADHM COC(=O)/C(C)=C\CN1CCC(C(=O)[O-])CC1 ZINC000818500441 586895325 /nfs/dbraw/zinc/89/53/25/586895325.db2.gz JYCAZMYRPPWZMQ-OQFOIZHKSA-N -1 3 241.287 0.902 20 0 BCADHM COCCn1cc(CN[C@@H](C)C(=O)[O-])cn1 ZINC000818547485 586899781 /nfs/dbraw/zinc/89/97/81/586899781.db2.gz OGTYLGRQNKGOIQ-QMMMGPOBSA-N -1 3 227.264 0.092 20 0 BCADHM COc1coc(CN(C)[C@H](C)C(=O)[O-])cc1=O ZINC000818635780 586908615 /nfs/dbraw/zinc/90/86/15/586908615.db2.gz LLQIWDKIDUPGMF-SSDOTTSWSA-N -1 3 241.243 0.553 20 0 BCADHM COCCO[N-]C(=O)C[C@@H](C)n1cccn1 ZINC000819354177 586954775 /nfs/dbraw/zinc/95/47/75/586954775.db2.gz IVCCLEHBAFZLBH-SECBINFHSA-N -1 3 227.264 0.528 20 0 BCADHM COc1nc(NC(=O)C=C[C@@H]2CCCO2)n[n-]1 ZINC000819453890 586965657 /nfs/dbraw/zinc/96/56/57/586965657.db2.gz AWJBNDVGMUFKBJ-KPJROHGDSA-N -1 3 238.247 0.487 20 0 BCADHM COc1nnc(NC(=O)C=C[C@@H]2CCCO2)[n-]1 ZINC000819453890 586965659 /nfs/dbraw/zinc/96/56/59/586965659.db2.gz AWJBNDVGMUFKBJ-KPJROHGDSA-N -1 3 238.247 0.487 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C/[C@@H]2CCCO2)n1 ZINC000819453890 586965660 /nfs/dbraw/zinc/96/56/60/586965660.db2.gz AWJBNDVGMUFKBJ-KPJROHGDSA-N -1 3 238.247 0.487 20 0 BCADHM COc1nc(NC(=O)C=C[C@H]2CCCO2)n[n-]1 ZINC000819453889 586965699 /nfs/dbraw/zinc/96/56/99/586965699.db2.gz AWJBNDVGMUFKBJ-IQXGSHKSSA-N -1 3 238.247 0.487 20 0 BCADHM COc1nnc(NC(=O)C=C[C@H]2CCCO2)[n-]1 ZINC000819453889 586965702 /nfs/dbraw/zinc/96/57/02/586965702.db2.gz AWJBNDVGMUFKBJ-IQXGSHKSSA-N -1 3 238.247 0.487 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C\[C@H]2CCCO2)n1 ZINC000819453889 586965704 /nfs/dbraw/zinc/96/57/04/586965704.db2.gz AWJBNDVGMUFKBJ-IQXGSHKSSA-N -1 3 238.247 0.487 20 0 BCADHM CCOCCO[N-]C(=O)C[C@H](C)n1cccn1 ZINC000819502253 586971192 /nfs/dbraw/zinc/97/11/92/586971192.db2.gz QSQXGGFSVOJENQ-JTQLQIEISA-N -1 3 241.291 0.919 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C[C@@](C)(O)C1CC1 ZINC000819541511 586975799 /nfs/dbraw/zinc/97/57/99/586975799.db2.gz BWZGVYDTAQJJJB-LLVKDONJSA-N -1 3 231.292 0.356 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)/C=C\[C@H]1CCCO1 ZINC000819557768 586977404 /nfs/dbraw/zinc/97/74/04/586977404.db2.gz CXUIQAQLAYAHKM-MXFLAHGMSA-N -1 3 243.303 0.786 20 0 BCADHM CC(C)N(C)CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819767365 586991614 /nfs/dbraw/zinc/99/16/14/586991614.db2.gz SOTDMBBOTODGDC-QMMMGPOBSA-N -1 3 229.349 0.934 20 0 BCADHM CCOCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819761093 586990559 /nfs/dbraw/zinc/99/05/59/586990559.db2.gz WMWOLBABEGXUOM-ZCFIWIBFSA-N -1 3 202.279 0.630 20 0 BCADHM CO[C@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819766454 586991884 /nfs/dbraw/zinc/99/18/84/586991884.db2.gz OKQISZLLTFLXMA-NTSWFWBYSA-N -1 3 202.279 0.629 20 0 BCADHM CC(=O)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819781633 586993956 /nfs/dbraw/zinc/99/39/56/586993956.db2.gz BFLQQIQXWFRSEG-ZCFIWIBFSA-N -1 3 249.230 0.329 20 0 BCADHM CC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819781633 586993958 /nfs/dbraw/zinc/99/39/58/586993958.db2.gz BFLQQIQXWFRSEG-ZCFIWIBFSA-N -1 3 249.230 0.329 20 0 BCADHM CC[C@H](O)CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819779912 586994125 /nfs/dbraw/zinc/99/41/25/586994125.db2.gz CGPDRORDZIPTRT-RQJHMYQMSA-N -1 3 216.306 0.755 20 0 BCADHM Cc1nccn1CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819780399 586994274 /nfs/dbraw/zinc/99/42/74/586994274.db2.gz GJBAKIJCDZSYFQ-ZETCQYMHSA-N -1 3 238.316 0.799 20 0 BCADHM CC(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820076321 587018483 /nfs/dbraw/zinc/01/84/83/587018483.db2.gz GOKMBJCSGXOFLQ-UHFFFAOYSA-N -1 3 248.290 0.971 20 0 BCADHM CC(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820076321 587018484 /nfs/dbraw/zinc/01/84/84/587018484.db2.gz GOKMBJCSGXOFLQ-UHFFFAOYSA-N -1 3 248.290 0.971 20 0 BCADHM C[C@@H](CC(=O)[O-])NCC(=O)NC1CCCC1 ZINC000820078479 587019047 /nfs/dbraw/zinc/01/90/47/587019047.db2.gz MMCBFFXPUOXLOS-QMMMGPOBSA-N -1 3 228.292 0.498 20 0 BCADHM C[C@H](CC(=O)[O-])NCCS(=O)(=O)CC1CC1 ZINC000820083871 587019939 /nfs/dbraw/zinc/01/99/39/587019939.db2.gz JIHMZIVGLDNWGQ-MRVPVSSYSA-N -1 3 249.332 0.264 20 0 BCADHM C[C@@H](CC(N)=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820235334 587036976 /nfs/dbraw/zinc/03/69/76/587036976.db2.gz RVBNSSDIWFAOMK-ZETCQYMHSA-N -1 3 246.274 0.543 20 0 BCADHM C[C@@H](CC(N)=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820235334 587036978 /nfs/dbraw/zinc/03/69/78/587036978.db2.gz RVBNSSDIWFAOMK-ZETCQYMHSA-N -1 3 246.274 0.543 20 0 BCADHM C[C@@H]1CCN(CC(=O)NCC(=O)[O-])C[C@H]1C ZINC000820238053 587037362 /nfs/dbraw/zinc/03/73/62/587037362.db2.gz IQVBYFSAZLTYHA-RKDXNWHRSA-N -1 3 228.292 0.165 20 0 BCADHM CC[C@@H](NCCC(=O)[O-])c1nccn1C ZINC000820285315 587041003 /nfs/dbraw/zinc/04/10/03/587041003.db2.gz YZBWBTFJGFLZNG-MRVPVSSYSA-N -1 3 211.265 0.936 20 0 BCADHM CC[C@H]1CN(CC(=O)[O-])CCN1CC(F)F ZINC000820297143 587042603 /nfs/dbraw/zinc/04/26/03/587042603.db2.gz NKYILVAYCFYCON-QMMMGPOBSA-N -1 3 236.262 0.732 20 0 BCADHM CCC[C@@H]1CN(CC(=O)[O-])CCN1CCOC ZINC000820311292 587042832 /nfs/dbraw/zinc/04/28/32/587042832.db2.gz SIEJUAXBMMXQMZ-LLVKDONJSA-N -1 3 244.335 0.504 20 0 BCADHM CN(CC(=O)NCC(=O)[O-])C(C1CC1)C1CC1 ZINC000820554351 587054300 /nfs/dbraw/zinc/05/43/00/587054300.db2.gz NXCYXBHBFREZAB-UHFFFAOYSA-N -1 3 240.303 0.308 20 0 BCADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820557428 587054491 /nfs/dbraw/zinc/05/44/91/587054491.db2.gz ZEXCOWZVNHRJMV-ZCFIWIBFSA-N -1 3 249.299 0.833 20 0 BCADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820557428 587054492 /nfs/dbraw/zinc/05/44/92/587054492.db2.gz ZEXCOWZVNHRJMV-ZCFIWIBFSA-N -1 3 249.299 0.833 20 0 BCADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820557425 587054522 /nfs/dbraw/zinc/05/45/22/587054522.db2.gz ZEXCOWZVNHRJMV-LURJTMIESA-N -1 3 249.299 0.833 20 0 BCADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820557425 587054524 /nfs/dbraw/zinc/05/45/24/587054524.db2.gz ZEXCOWZVNHRJMV-LURJTMIESA-N -1 3 249.299 0.833 20 0 BCADHM CN(CCC(=O)[O-])Cc1cnc2cnccn12 ZINC000820586212 587056135 /nfs/dbraw/zinc/05/61/35/587056135.db2.gz QROZUZWLQMDWRH-UHFFFAOYSA-N -1 3 234.259 0.636 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000820614872 587058878 /nfs/dbraw/zinc/05/88/78/587058878.db2.gz XQKJOAOLBYXKPO-HTQZYQBOSA-N -1 3 225.248 0.207 20 0 BCADHM COCCO[N-]C(=O)c1c(F)cncc1F ZINC000820613536 587059080 /nfs/dbraw/zinc/05/90/80/587059080.db2.gz FYVSBNVQITVNBQ-UHFFFAOYSA-N -1 3 232.186 0.668 20 0 BCADHM CO[C@@H](C)C(=O)OC[C@@H]1CCCN1CC(=O)[O-] ZINC000820696346 587066844 /nfs/dbraw/zinc/06/68/44/587066844.db2.gz CYESESJYZYACPH-IUCAKERBSA-N -1 3 245.275 0.114 20 0 BCADHM Cc1noc(C[N-]S(=O)(=O)C2CCC2)n1 ZINC000820796379 587072846 /nfs/dbraw/zinc/07/28/46/587072846.db2.gz IGNKRVZBILZDGS-UHFFFAOYSA-N -1 3 231.277 0.350 20 0 BCADHM CO[N-]C(=O)Cc1cscc1C(=O)NOC ZINC000820839057 587076135 /nfs/dbraw/zinc/07/61/35/587076135.db2.gz GHKAUCBOSSAIGH-UHFFFAOYSA-N -1 3 244.272 0.259 20 0 BCADHM CCOCCOCCCC(=O)[N-]OC ZINC000820844677 587076364 /nfs/dbraw/zinc/07/63/64/587076364.db2.gz LMWUOUONVOBRHM-UHFFFAOYSA-N -1 3 205.254 0.497 20 0 BCADHM CC[C@H](CCO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820902876 587080906 /nfs/dbraw/zinc/08/09/06/587080906.db2.gz PMMNTQURQNIYOM-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@H](CCO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820902876 587080907 /nfs/dbraw/zinc/08/09/07/587080907.db2.gz PMMNTQURQNIYOM-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000820997601 587087065 /nfs/dbraw/zinc/08/70/65/587087065.db2.gz XJMRCLKMRVBKRK-XXFSISAASA-N -1 3 240.303 0.019 20 0 BCADHM CCN(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821160201 587099328 /nfs/dbraw/zinc/09/93/28/587099328.db2.gz GZQSILNUDNICNR-UHFFFAOYSA-N -1 3 234.263 0.297 20 0 BCADHM CCN(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821160201 587099330 /nfs/dbraw/zinc/09/93/30/587099330.db2.gz GZQSILNUDNICNR-UHFFFAOYSA-N -1 3 234.263 0.297 20 0 BCADHM CCOCCNCc1ccc(-c2nnn[n-]2)o1 ZINC000821384284 587114780 /nfs/dbraw/zinc/11/47/80/587114780.db2.gz SLPFNJZHAVRGEY-UHFFFAOYSA-N -1 3 237.263 0.586 20 0 BCADHM CCOCCNCc1ccc(-c2nn[n-]n2)o1 ZINC000821384284 587114782 /nfs/dbraw/zinc/11/47/82/587114782.db2.gz SLPFNJZHAVRGEY-UHFFFAOYSA-N -1 3 237.263 0.586 20 0 BCADHM CN(C)c1noc(-c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC000821592501 587131240 /nfs/dbraw/zinc/13/12/40/587131240.db2.gz IVRSNARGPBXGGB-UHFFFAOYSA-N -1 3 246.234 0.311 20 0 BCADHM CN(C)c1noc(-c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC000821592501 587131241 /nfs/dbraw/zinc/13/12/41/587131241.db2.gz IVRSNARGPBXGGB-UHFFFAOYSA-N -1 3 246.234 0.311 20 0 BCADHM CC[C@H](C)C(=O)[N-]c1nnnn1C1CC1 ZINC000821667395 587134001 /nfs/dbraw/zinc/13/40/01/587134001.db2.gz IIWJZHPPGAYSIP-LURJTMIESA-N -1 3 209.253 0.993 20 0 BCADHM O=C([N-]c1nnnn1C1CC1)[C@H]1CCCS1 ZINC000821668414 587134017 /nfs/dbraw/zinc/13/40/17/587134017.db2.gz KWWFGLAENGIPTR-SSDOTTSWSA-N -1 3 239.304 0.842 20 0 BCADHM C[C@H]1C[C@H]1C(=O)[N-]c1nnnn1C1CC1 ZINC000821666267 587134220 /nfs/dbraw/zinc/13/42/20/587134220.db2.gz IJMNNCIFPGZPRG-CAHLUQPWSA-N -1 3 207.237 0.603 20 0 BCADHM O=C([N-]c1nnnn1C1CC1)C1CCC1 ZINC000821666517 587134222 /nfs/dbraw/zinc/13/42/22/587134222.db2.gz SKOWWTWHBDFXEY-UHFFFAOYSA-N -1 3 207.237 0.747 20 0 BCADHM C[C@]1(C(=O)[N-]c2nnnn2C2CC2)CCCO1 ZINC000821667689 587134326 /nfs/dbraw/zinc/13/43/26/587134326.db2.gz WEUNFYULWUAVIB-SNVBAGLBSA-N -1 3 237.263 0.516 20 0 BCADHM COCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000821680456 587134705 /nfs/dbraw/zinc/13/47/05/587134705.db2.gz JWYCCUFOHRGTHB-UHFFFAOYSA-N -1 3 247.258 0.476 20 0 BCADHM COCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000821680456 587134707 /nfs/dbraw/zinc/13/47/07/587134707.db2.gz JWYCCUFOHRGTHB-UHFFFAOYSA-N -1 3 247.258 0.476 20 0 BCADHM COCCn1cc(C)c(-c2nnn[n-]2)c1 ZINC000821694967 587134846 /nfs/dbraw/zinc/13/48/46/587134846.db2.gz CKHSEAZVOCTZFC-UHFFFAOYSA-N -1 3 207.237 0.623 20 0 BCADHM COCCn1cc(C)c(-c2nn[n-]n2)c1 ZINC000821694967 587134847 /nfs/dbraw/zinc/13/48/47/587134847.db2.gz CKHSEAZVOCTZFC-UHFFFAOYSA-N -1 3 207.237 0.623 20 0 BCADHM COCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821680588 587134864 /nfs/dbraw/zinc/13/48/64/587134864.db2.gz NQBNKUZNZZHMSV-UHFFFAOYSA-N -1 3 247.258 0.760 20 0 BCADHM COCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821680588 587134865 /nfs/dbraw/zinc/13/48/65/587134865.db2.gz NQBNKUZNZZHMSV-UHFFFAOYSA-N -1 3 247.258 0.760 20 0 BCADHM COc1ccc(-c2nnn[n-]2)cc1COC(C)=O ZINC000821749778 587136437 /nfs/dbraw/zinc/13/64/37/587136437.db2.gz XRUZXDCMPLEMHN-UHFFFAOYSA-N -1 3 248.242 0.938 20 0 BCADHM COc1ccc(-c2nn[n-]n2)cc1COC(C)=O ZINC000821749778 587136438 /nfs/dbraw/zinc/13/64/38/587136438.db2.gz XRUZXDCMPLEMHN-UHFFFAOYSA-N -1 3 248.242 0.938 20 0 BCADHM O=C(CN1CCCC1)[N-]OC[C@H]1CCOC1 ZINC000822348011 587164042 /nfs/dbraw/zinc/16/40/42/587164042.db2.gz GNDTUZGZVQBWPX-JTQLQIEISA-N -1 3 228.292 0.167 20 0 BCADHM CN(CC(=O)[N-]OCC(C)(C)O)CC(C)(C)C ZINC000822495654 587171912 /nfs/dbraw/zinc/17/19/12/587171912.db2.gz ZYYISWUKJCCROP-UHFFFAOYSA-N -1 3 246.351 0.783 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@]2(C)CCC(=O)N2)n1 ZINC000822520898 587172920 /nfs/dbraw/zinc/17/29/20/587172920.db2.gz CQIYFOUIBMVMES-LBPRGKRZSA-N -1 3 249.270 0.703 20 0 BCADHM Cc1noc(-c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC000822519713 587173051 /nfs/dbraw/zinc/17/30/51/587173051.db2.gz KZXSZIKFTMBWQV-UHFFFAOYSA-N -1 3 217.192 0.553 20 0 BCADHM Cc1noc(-c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC000822519713 587173053 /nfs/dbraw/zinc/17/30/53/587173053.db2.gz KZXSZIKFTMBWQV-UHFFFAOYSA-N -1 3 217.192 0.553 20 0 BCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC1 ZINC000822626214 587178200 /nfs/dbraw/zinc/17/82/00/587178200.db2.gz AVDYGDJAUIVBLQ-UHFFFAOYSA-N -1 3 232.247 0.051 20 0 BCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC1 ZINC000822626214 587178202 /nfs/dbraw/zinc/17/82/02/587178202.db2.gz AVDYGDJAUIVBLQ-UHFFFAOYSA-N -1 3 232.247 0.051 20 0 BCADHM NC(=O)CCSc1ccccc1-c1nnn[n-]1 ZINC000822868782 587190420 /nfs/dbraw/zinc/19/04/20/587190420.db2.gz HKTHYYHGJBXAAF-UHFFFAOYSA-N -1 3 249.299 0.834 20 0 BCADHM NC(=O)CCSc1ccccc1-c1nn[n-]n1 ZINC000822868782 587190421 /nfs/dbraw/zinc/19/04/21/587190421.db2.gz HKTHYYHGJBXAAF-UHFFFAOYSA-N -1 3 249.299 0.834 20 0 BCADHM O=C(NC1CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823145745 587205276 /nfs/dbraw/zinc/20/52/76/587205276.db2.gz SQIPPFORWZOJJA-UHFFFAOYSA-N -1 3 218.220 0.087 20 0 BCADHM O=C(NC1CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823145745 587205278 /nfs/dbraw/zinc/20/52/78/587205278.db2.gz SQIPPFORWZOJJA-UHFFFAOYSA-N -1 3 218.220 0.087 20 0 BCADHM CCc1c[nH]c(CC(=O)[N-]OCCN(C)C)n1 ZINC000823255319 587211320 /nfs/dbraw/zinc/21/13/20/587211320.db2.gz SWKUYAVUUVKUNZ-UHFFFAOYSA-N -1 3 240.307 0.124 20 0 BCADHM CC(C)O[N-]C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000823302561 587214855 /nfs/dbraw/zinc/21/48/55/587214855.db2.gz PBDRHNATZVNODJ-HTQZYQBOSA-N -1 3 209.249 0.969 20 0 BCADHM O=C(OCCF)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823405937 587220147 /nfs/dbraw/zinc/22/01/47/587220147.db2.gz YDXQAXPYJTXGFI-UHFFFAOYSA-N -1 3 225.183 0.321 20 0 BCADHM O=C(OCCF)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823405937 587220149 /nfs/dbraw/zinc/22/01/49/587220149.db2.gz YDXQAXPYJTXGFI-UHFFFAOYSA-N -1 3 225.183 0.321 20 0 BCADHM OC1(CNc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC000823696261 587237043 /nfs/dbraw/zinc/23/70/43/587237043.db2.gz BSXBQUGFKZYCEV-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM OC1(CNc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC000823696261 587237044 /nfs/dbraw/zinc/23/70/44/587237044.db2.gz BSXBQUGFKZYCEV-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM Cn1ncc(CCC(=O)Nc2ncccc2[O-])n1 ZINC000823741810 587239189 /nfs/dbraw/zinc/23/91/89/587239189.db2.gz CJIGAFCAMHYMOQ-UHFFFAOYSA-N -1 3 247.258 0.487 20 0 BCADHM CC(C)(CNCc1cncnc1)NC(=O)[O-] ZINC000824011119 587248064 /nfs/dbraw/zinc/24/80/64/587248064.db2.gz DLUSRFCGQZBBNT-UHFFFAOYSA-N -1 3 224.264 0.612 20 0 BCADHM CC(C)CN1CCN(C)C[C@@H]1CNC(=O)[O-] ZINC000824257833 587263566 /nfs/dbraw/zinc/26/35/66/587263566.db2.gz VYOFNFVNYPIWJT-JTQLQIEISA-N -1 3 229.324 0.526 20 0 BCADHM C[C@H]([N-]C(=O)C(F)F)c1cnccn1 ZINC000824334626 587266524 /nfs/dbraw/zinc/26/65/24/587266524.db2.gz WHRKYCDVTJTCOF-YFKPBYRVSA-N -1 3 201.176 0.919 20 0 BCADHM CC(C)OC[C@@H](O)CN(C)[C@@H](C)CNC(=O)[O-] ZINC000824394969 587267699 /nfs/dbraw/zinc/26/76/99/587267699.db2.gz ZJSCQISBDWCUGG-UWVGGRQHSA-N -1 3 248.323 0.360 20 0 BCADHM COCCON=C([O-])Nc1c(C)cnn1C ZINC000824410679 587269715 /nfs/dbraw/zinc/26/97/15/587269715.db2.gz SCPPFDPJHKPKAU-UHFFFAOYSA-N -1 3 228.252 0.428 20 0 BCADHM COCCO[N-]C(=O)Nc1c(C)cnn1C ZINC000824410679 587269717 /nfs/dbraw/zinc/26/97/17/587269717.db2.gz SCPPFDPJHKPKAU-UHFFFAOYSA-N -1 3 228.252 0.428 20 0 BCADHM C[C@@H](NC(=O)CO)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479597 587271273 /nfs/dbraw/zinc/27/12/73/587271273.db2.gz OLSNCAOJYHCMQB-SSDOTTSWSA-N -1 3 247.258 0.036 20 0 BCADHM C[C@@H](NC(=O)CO)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479597 587271274 /nfs/dbraw/zinc/27/12/74/587271274.db2.gz OLSNCAOJYHCMQB-SSDOTTSWSA-N -1 3 247.258 0.036 20 0 BCADHM C[C@H](CC(=O)NC[C@H](C)N(C)C)NC(=O)[O-] ZINC000824628147 587280289 /nfs/dbraw/zinc/28/02/89/587280289.db2.gz FEPIENCWOOTZCE-SFYZADRCSA-N -1 3 231.296 0.099 20 0 BCADHM C[C@H](CNC(=O)C[C@H](C)NC(=O)[O-])N(C)C ZINC000824628146 587280341 /nfs/dbraw/zinc/28/03/41/587280341.db2.gz FEPIENCWOOTZCE-JGVFFNPUSA-N -1 3 231.296 0.099 20 0 BCADHM C[C@@H](O)C(C)(C)Nc1ncccc1-c1nnn[n-]1 ZINC000824679749 587282418 /nfs/dbraw/zinc/28/24/18/587282418.db2.gz VQEJMMAEQMGZQR-SSDOTTSWSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)C(C)(C)Nc1ncccc1-c1nn[n-]n1 ZINC000824679749 587282419 /nfs/dbraw/zinc/28/24/19/587282419.db2.gz VQEJMMAEQMGZQR-SSDOTTSWSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](C[C@H](C)O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000824700468 587283217 /nfs/dbraw/zinc/28/32/17/587283217.db2.gz YVHMDTIMFBWLNL-SFYZADRCSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](C[C@H](C)O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000824700468 587283218 /nfs/dbraw/zinc/28/32/18/587283218.db2.gz YVHMDTIMFBWLNL-SFYZADRCSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)CCN(C)c1cnccc1-c1nnn[n-]1 ZINC000824698581 587283436 /nfs/dbraw/zinc/28/34/36/587283436.db2.gz MKLJMHRZSPBOAE-MRVPVSSYSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@@H](O)CCN(C)c1cnccc1-c1nn[n-]n1 ZINC000824698581 587283438 /nfs/dbraw/zinc/28/34/38/587283438.db2.gz MKLJMHRZSPBOAE-MRVPVSSYSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@H](O)CN(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824698301 587283523 /nfs/dbraw/zinc/28/35/23/587283523.db2.gz KFBIQGLGSCZOBJ-QMMMGPOBSA-N -1 3 248.290 0.074 20 0 BCADHM C[C@@H](O)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC000824699011 587283588 /nfs/dbraw/zinc/28/35/88/587283588.db2.gz PEOHBAVDRQFFGL-JGVFFNPUSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC000824699011 587283590 /nfs/dbraw/zinc/28/35/90/587283590.db2.gz PEOHBAVDRQFFGL-JGVFFNPUSA-N -1 3 248.290 0.833 20 0 BCADHM CC1(C)C[C@H]1C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000824795976 587287950 /nfs/dbraw/zinc/28/79/50/587287950.db2.gz KOGRMERCQPRNFV-LURJTMIESA-N -1 3 247.262 0.332 20 0 BCADHM C[C@@H](CCNCc1ccc(CO)o1)NC(=O)[O-] ZINC000824801568 587288230 /nfs/dbraw/zinc/28/82/30/587288230.db2.gz DAXLLQAWUGMVNO-QMMMGPOBSA-N -1 3 242.275 0.908 20 0 BCADHM C[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000824844301 587289867 /nfs/dbraw/zinc/28/98/67/587289867.db2.gz VIHDIRYQWULYJU-NSHDSACASA-N -1 3 246.274 0.223 20 0 BCADHM C[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000824844301 587289868 /nfs/dbraw/zinc/28/98/68/587289868.db2.gz VIHDIRYQWULYJU-NSHDSACASA-N -1 3 246.274 0.223 20 0 BCADHM CCOCCON=C([O-])Nc1ccn(CC)n1 ZINC000824944132 587294201 /nfs/dbraw/zinc/29/42/01/587294201.db2.gz ZMMVBQSIQSLPFM-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM CCOCCO[N-]C(=O)Nc1ccn(CC)n1 ZINC000824944132 587294202 /nfs/dbraw/zinc/29/42/02/587294202.db2.gz ZMMVBQSIQSLPFM-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM C[C@@](CNC(=O)[O-])(NCc1cn[nH]c1)C1CC1 ZINC000824953458 587294806 /nfs/dbraw/zinc/29/48/06/587294806.db2.gz WEZUZBCYSLTFSM-NSHDSACASA-N -1 3 238.291 0.936 20 0 BCADHM C[C@H](CNC(=O)[O-])N(C)CCC1OCCCO1 ZINC000824966396 587295368 /nfs/dbraw/zinc/29/53/68/587295368.db2.gz FRSICDSNNWXHRQ-SECBINFHSA-N -1 3 246.307 0.727 20 0 BCADHM C[C@H](CO)NCc1ccc(NC(=O)[O-])nc1 ZINC000824980258 587296498 /nfs/dbraw/zinc/29/64/98/587296498.db2.gz NAPUJNOZDSDOOE-SSDOTTSWSA-N -1 3 225.248 0.642 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2)C[C@H]1O ZINC000824992229 587297751 /nfs/dbraw/zinc/29/77/51/587297751.db2.gz KXNIHGYHJNWBHI-GZMMTYOYSA-N -1 3 245.286 0.684 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2)C[C@H]1O ZINC000824992229 587297752 /nfs/dbraw/zinc/29/77/52/587297752.db2.gz KXNIHGYHJNWBHI-GZMMTYOYSA-N -1 3 245.286 0.684 20 0 BCADHM C[C@@H]1OCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000825021477 587299093 /nfs/dbraw/zinc/29/90/93/587299093.db2.gz RBAMHPGPCLHHMI-IONNQARKSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@@H]1OCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000825021477 587299094 /nfs/dbraw/zinc/29/90/94/587299094.db2.gz RBAMHPGPCLHHMI-IONNQARKSA-N -1 3 246.274 0.851 20 0 BCADHM CC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825067786 587302285 /nfs/dbraw/zinc/30/22/85/587302285.db2.gz MYIFSBGSHIMERB-ZCFIWIBFSA-N -1 3 234.263 0.723 20 0 BCADHM CC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825067786 587302287 /nfs/dbraw/zinc/30/22/87/587302287.db2.gz MYIFSBGSHIMERB-ZCFIWIBFSA-N -1 3 234.263 0.723 20 0 BCADHM CCn1ncc(C)c1NC([O-])=NOCCO ZINC000825155292 587307544 /nfs/dbraw/zinc/30/75/44/587307544.db2.gz BTPJSMKCAWFTHH-UHFFFAOYSA-N -1 3 228.252 0.257 20 0 BCADHM CCn1ncc(C)c1NC(=O)[N-]OCCO ZINC000825155292 587307546 /nfs/dbraw/zinc/30/75/46/587307546.db2.gz BTPJSMKCAWFTHH-UHFFFAOYSA-N -1 3 228.252 0.257 20 0 BCADHM C[C@H](NC(=O)[O-])C(=O)N1CCC[C@H]1CN(C)C ZINC000825178967 587308061 /nfs/dbraw/zinc/30/80/61/587308061.db2.gz WDLZIRCTEXSCLF-IUCAKERBSA-N -1 3 243.307 0.195 20 0 BCADHM CC1(C(=O)NCCCc2c[n-][nH]c2=O)CC=CC1 ZINC000825276495 587312091 /nfs/dbraw/zinc/31/20/91/587312091.db2.gz CWRJHZLBOMIJRY-SNVBAGLBSA-N -1 3 249.314 0.971 20 0 BCADHM C[C@@H](NC(=O)[O-])C1CCN(CCO)CC1 ZINC000825289327 587313123 /nfs/dbraw/zinc/31/31/23/587313123.db2.gz XSBKCUDYVNGFMX-MRVPVSSYSA-N -1 3 216.281 0.347 20 0 BCADHM C[C@@H](N[C@@H]1CCN(C(=O)[O-])C1)c1cnn(C)c1 ZINC000825479873 587320907 /nfs/dbraw/zinc/32/09/07/587320907.db2.gz QPFKULFZJGEMPD-PSASIEDQSA-N -1 3 238.291 0.823 20 0 BCADHM C[C@H](NCCN(C)C(=O)[O-])c1cnn(C)c1 ZINC000825496152 587321624 /nfs/dbraw/zinc/32/16/24/587321624.db2.gz MOOTUZUQNDYGAR-QMMMGPOBSA-N -1 3 226.280 0.681 20 0 BCADHM C/C(=C/CN(CC(N)=O)C(C)(C)C)C(=O)[O-] ZINC000825730018 587334612 /nfs/dbraw/zinc/33/46/12/587334612.db2.gz PXFKTLRYMIYVHT-YVMONPNESA-N -1 3 228.292 0.603 20 0 BCADHM C/C(=C\CNC1(C(N)=O)CCCCC1)C(=O)[O-] ZINC000825746132 587336300 /nfs/dbraw/zinc/33/63/00/587336300.db2.gz FMSKHQGVBINQBT-WEVVVXLNSA-N -1 3 240.303 0.795 20 0 BCADHM C/C(=C\CN[C@H](C(N)=O)C(C)(C)C)C(=O)[O-] ZINC000825745667 587336462 /nfs/dbraw/zinc/33/64/62/587336462.db2.gz CBCADBBNHGVMRM-WVXIBAHESA-N -1 3 228.292 0.507 20 0 BCADHM CCc1nnc(Cn2ccc(-c3nnn[n-]3)c2)o1 ZINC000825767088 587338548 /nfs/dbraw/zinc/33/85/48/587338548.db2.gz HDZSBUYXKSNWAS-UHFFFAOYSA-N -1 3 245.246 0.662 20 0 BCADHM CCc1nnc(Cn2ccc(-c3nn[n-]n3)c2)o1 ZINC000825767088 587338550 /nfs/dbraw/zinc/33/85/50/587338550.db2.gz HDZSBUYXKSNWAS-UHFFFAOYSA-N -1 3 245.246 0.662 20 0 BCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC000825825977 587340672 /nfs/dbraw/zinc/34/06/72/587340672.db2.gz QPESWPDKQGKPIK-UHFFFAOYSA-N -1 3 232.247 0.429 20 0 BCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC000825825977 587340673 /nfs/dbraw/zinc/34/06/73/587340673.db2.gz QPESWPDKQGKPIK-UHFFFAOYSA-N -1 3 232.247 0.429 20 0 BCADHM C[C@@H]1CCN(CCNC(=O)CCNC(=O)[O-])C1 ZINC000825951161 587346851 /nfs/dbraw/zinc/34/68/51/587346851.db2.gz SKDBXTRGTAOTQY-SECBINFHSA-N -1 3 243.307 0.102 20 0 BCADHM CO[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826166284 587351478 /nfs/dbraw/zinc/35/14/78/587351478.db2.gz DHWJXDZTBRJQMF-MRVPVSSYSA-N -1 3 249.274 0.680 20 0 BCADHM CO[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826166284 587351479 /nfs/dbraw/zinc/35/14/79/587351479.db2.gz DHWJXDZTBRJQMF-MRVPVSSYSA-N -1 3 249.274 0.680 20 0 BCADHM COCCN(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826157753 587351705 /nfs/dbraw/zinc/35/17/05/587351705.db2.gz KKHMJGHCXALEMA-UHFFFAOYSA-N -1 3 237.263 0.538 20 0 BCADHM COCCN(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826157753 587351706 /nfs/dbraw/zinc/35/17/06/587351706.db2.gz KKHMJGHCXALEMA-UHFFFAOYSA-N -1 3 237.263 0.538 20 0 BCADHM COc1ccc(-c2nnn[n-]2)cc1CN(C)OC ZINC000826181964 587351755 /nfs/dbraw/zinc/35/17/55/587351755.db2.gz UZVLSEKJJUVEHC-UHFFFAOYSA-N -1 3 249.274 0.869 20 0 BCADHM COc1ccc(-c2nn[n-]n2)cc1CN(C)OC ZINC000826181964 587351756 /nfs/dbraw/zinc/35/17/56/587351756.db2.gz UZVLSEKJJUVEHC-UHFFFAOYSA-N -1 3 249.274 0.869 20 0 BCADHM COc1ccc(CNC(C)=O)cc1-c1nnn[n-]1 ZINC000826201803 587351832 /nfs/dbraw/zinc/35/18/32/587351832.db2.gz DYOOSZDRCNSWDZ-UHFFFAOYSA-N -1 3 247.258 0.511 20 0 BCADHM COc1ccc(CNC(C)=O)cc1-c1nn[n-]n1 ZINC000826201803 587351833 /nfs/dbraw/zinc/35/18/33/587351833.db2.gz DYOOSZDRCNSWDZ-UHFFFAOYSA-N -1 3 247.258 0.511 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)nc1N[C@H](C)CCO ZINC000826280542 587352037 /nfs/dbraw/zinc/35/20/37/587352037.db2.gz GAIUGMMWUXDZFQ-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccnc(NC2(CO)CC2)c1-c1nnn[n-]1 ZINC000826311850 587352274 /nfs/dbraw/zinc/35/22/74/587352274.db2.gz PRFUIBHAUTUFMD-UHFFFAOYSA-N -1 3 246.274 0.507 20 0 BCADHM Cc1ccnc(NC2(CO)CC2)c1-c1nn[n-]n1 ZINC000826311850 587352275 /nfs/dbraw/zinc/35/22/75/587352275.db2.gz PRFUIBHAUTUFMD-UHFFFAOYSA-N -1 3 246.274 0.507 20 0 BCADHM O[C@H](CNc1cnccc1-c1nnn[n-]1)C1CC1 ZINC000826504621 587352804 /nfs/dbraw/zinc/35/28/04/587352804.db2.gz ZYMNMLLTRJYHSL-SNVBAGLBSA-N -1 3 246.274 0.445 20 0 BCADHM O[C@H](CNc1cnccc1-c1nn[n-]n1)C1CC1 ZINC000826504621 587352805 /nfs/dbraw/zinc/35/28/05/587352805.db2.gz ZYMNMLLTRJYHSL-SNVBAGLBSA-N -1 3 246.274 0.445 20 0 BCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC=CCC1 ZINC000826469056 587353019 /nfs/dbraw/zinc/35/30/19/587353019.db2.gz SLPAOLBGWLYTMH-UHFFFAOYSA-N -1 3 244.258 0.597 20 0 BCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC=CCC1 ZINC000826469056 587353020 /nfs/dbraw/zinc/35/30/20/587353020.db2.gz SLPAOLBGWLYTMH-UHFFFAOYSA-N -1 3 244.258 0.597 20 0 BCADHM O=C(NCC1CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826434655 587353082 /nfs/dbraw/zinc/35/30/82/587353082.db2.gz TWLDFQACAZLBTJ-UHFFFAOYSA-N -1 3 232.247 0.335 20 0 BCADHM O=C(NCC1CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826434655 587353083 /nfs/dbraw/zinc/35/30/83/587353083.db2.gz TWLDFQACAZLBTJ-UHFFFAOYSA-N -1 3 232.247 0.335 20 0 BCADHM O=C(NCC1CCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826434835 587353168 /nfs/dbraw/zinc/35/31/68/587353168.db2.gz ZHVSTBACJFMVAE-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM O=C(NCC1CCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826434835 587353169 /nfs/dbraw/zinc/35/31/69/587353169.db2.gz ZHVSTBACJFMVAE-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM c1cc(-c2nnn[n-]2)oc1CN1CCCOCC1 ZINC000826515332 587353184 /nfs/dbraw/zinc/35/31/84/587353184.db2.gz VLZADGSIBRJFNK-UHFFFAOYSA-N -1 3 249.274 0.682 20 0 BCADHM c1cc(-c2nn[n-]n2)oc1CN1CCCOCC1 ZINC000826515332 587353185 /nfs/dbraw/zinc/35/31/85/587353185.db2.gz VLZADGSIBRJFNK-UHFFFAOYSA-N -1 3 249.274 0.682 20 0 BCADHM O=C(NCC(F)F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826432797 587353302 /nfs/dbraw/zinc/35/33/02/587353302.db2.gz LHMKOXXWPZQDNP-UHFFFAOYSA-N -1 3 242.189 0.190 20 0 BCADHM O=C(NCC(F)F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826432797 587353303 /nfs/dbraw/zinc/35/33/03/587353303.db2.gz LHMKOXXWPZQDNP-UHFFFAOYSA-N -1 3 242.189 0.190 20 0 BCADHM O=C(Nc1cnoc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826459710 587353315 /nfs/dbraw/zinc/35/33/15/587353315.db2.gz WEFBPXSBFGFIPP-UHFFFAOYSA-N -1 3 245.202 0.435 20 0 BCADHM O=C(Nc1cnoc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826459710 587353316 /nfs/dbraw/zinc/35/33/16/587353316.db2.gz WEFBPXSBFGFIPP-UHFFFAOYSA-N -1 3 245.202 0.435 20 0 BCADHM c1cc(-c2nnn[n-]2)c(N[C@@H]2CCCOC2)cn1 ZINC000826512516 587353676 /nfs/dbraw/zinc/35/36/76/587353676.db2.gz DGQHCTGFKUHISZ-MRVPVSSYSA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(-c2nn[n-]n2)c(N[C@@H]2CCCOC2)cn1 ZINC000826512516 587353677 /nfs/dbraw/zinc/35/36/77/587353677.db2.gz DGQHCTGFKUHISZ-MRVPVSSYSA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(CN2CCCC2)cc(-c2nnn[n-]2)n1 ZINC000826516032 587353736 /nfs/dbraw/zinc/35/37/36/587353736.db2.gz UZVDTHUKCWZIAM-UHFFFAOYSA-N -1 3 230.275 0.858 20 0 BCADHM c1cn(CCC2OCCCO2)cc1-c1nnn[n-]1 ZINC000826524867 587353994 /nfs/dbraw/zinc/35/39/94/587353994.db2.gz NKEYFOCUZDRYQG-UHFFFAOYSA-N -1 3 249.274 0.821 20 0 BCADHM c1cn(CCC2OCCCO2)cc1-c1nn[n-]n1 ZINC000826524867 587353995 /nfs/dbraw/zinc/35/39/95/587353995.db2.gz NKEYFOCUZDRYQG-UHFFFAOYSA-N -1 3 249.274 0.821 20 0 BCADHM CC(C)(CC(=O)[O-])NCc1cc(=O)c(O)co1 ZINC000826538104 587354478 /nfs/dbraw/zinc/35/44/78/587354478.db2.gz HBVRTDNCIRDXRN-UHFFFAOYSA-N -1 3 241.243 0.688 20 0 BCADHM CC[C@H](O)CN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000826625895 587357083 /nfs/dbraw/zinc/35/70/83/587357083.db2.gz LSBHDSRNQCWNFV-IUCAKERBSA-N -1 3 216.281 0.441 20 0 BCADHM CC(C)[C@@H]1CCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000826735229 587360751 /nfs/dbraw/zinc/36/07/51/587360751.db2.gz BYFFSYAFZBSBQY-NXEZZACHSA-N -1 3 242.319 0.554 20 0 BCADHM CCN1CCC[C@H]1CN(C)C(=O)CNC(=O)[O-] ZINC000827215216 587373047 /nfs/dbraw/zinc/37/30/47/587373047.db2.gz OLJXJLSXDHDWDC-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CC(C)[C@@H](CN(C)C)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000827271043 587374761 /nfs/dbraw/zinc/37/47/61/587374761.db2.gz FSCVOAXDKQZJFJ-VHSXEESVSA-N -1 3 244.335 0.800 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)NCCN1CCCC1 ZINC000827291171 587375468 /nfs/dbraw/zinc/37/54/68/587375468.db2.gz IXKAILVAUAQPJD-VIFPVBQESA-N -1 3 228.292 0.309 20 0 BCADHM CCOC[C@@H](O)CN1CCC[C@@H]1CNC(=O)[O-] ZINC000827390320 587379316 /nfs/dbraw/zinc/37/93/16/587379316.db2.gz ZAIKDVFXRXEMCS-ZJUUUORDSA-N -1 3 246.307 0.116 20 0 BCADHM CCOC[C@@H](O)CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827388844 587379434 /nfs/dbraw/zinc/37/94/34/587379434.db2.gz PXNUOLLFTSETNW-UWVGGRQHSA-N -1 3 246.307 0.068 20 0 BCADHM CCOCCN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827399224 587379621 /nfs/dbraw/zinc/37/96/21/587379621.db2.gz BLBBPKSTPBCQED-VIFPVBQESA-N -1 3 216.281 0.707 20 0 BCADHM CC(C)CCCC(=O)[N-]OCC(N)=O ZINC000827771819 587401652 /nfs/dbraw/zinc/40/16/52/587401652.db2.gz CEQDPEYXKUMKCV-UHFFFAOYSA-N -1 3 202.254 0.346 20 0 BCADHM CN(C(=O)[O-])[C@H]1CCN(C[C@H]2CCCO2)C1 ZINC000827882911 587407470 /nfs/dbraw/zinc/40/74/70/587407470.db2.gz UKULGPBFHFDMRS-VHSXEESVSA-N -1 3 228.292 0.850 20 0 BCADHM CN(C(=O)[O-])[C@H]1CCN(CC2(C)COC2)C1 ZINC000827883473 587407658 /nfs/dbraw/zinc/40/76/58/587407658.db2.gz YLDGQHFCNHQYGY-VIFPVBQESA-N -1 3 228.292 0.707 20 0 BCADHM C[C@@H]1CC(=O)N(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)C1 ZINC000828149904 587421959 /nfs/dbraw/zinc/42/19/59/587421959.db2.gz NWIAFXHOPOOVPS-UTLUCORTSA-N -1 3 240.303 0.465 20 0 BCADHM C[C@@H]1CCCN1CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000828272143 587429912 /nfs/dbraw/zinc/42/99/12/587429912.db2.gz WMUYSHQUUVHZKZ-BBBLOLIVSA-N -1 3 240.303 0.308 20 0 BCADHM C[C@H]1CCN(CC(=O)NCCC(=O)[O-])[C@H]1C ZINC000828286736 587431736 /nfs/dbraw/zinc/43/17/36/587431736.db2.gz ZGJNYPVMIJJKGH-IUCAKERBSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@H]1CN(CN2CCCC2=O)C[C@@H]1C(=O)[O-] ZINC000828456447 587443598 /nfs/dbraw/zinc/44/35/98/587443598.db2.gz LOUOAETXOYQANA-IUCAKERBSA-N -1 3 226.276 0.219 20 0 BCADHM Cn1cc(C(=O)[N-]OCC(F)F)c(Cl)n1 ZINC000828467637 587444130 /nfs/dbraw/zinc/44/41/30/587444130.db2.gz DXBHPSAHMWOZBQ-UHFFFAOYSA-N -1 3 239.609 1.000 20 0 BCADHM CC[C@@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)N(C)C ZINC000828586360 587451467 /nfs/dbraw/zinc/45/14/67/587451467.db2.gz DUGYRLPRQQBMNV-CABZTGNLSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@@H](C(=O)N1CCC[C@H]1CC(=O)[O-])N(C)C ZINC000828587161 587451601 /nfs/dbraw/zinc/45/16/01/587451601.db2.gz OAPLNOKFQFLQRT-UWVGGRQHSA-N -1 3 242.319 0.792 20 0 BCADHM COC(=O)[C@@]1(C)CCN(CCNC(=O)[O-])C1 ZINC000828618473 587453783 /nfs/dbraw/zinc/45/37/83/587453783.db2.gz NSEVIOMVHJOXMC-JTQLQIEISA-N -1 3 230.264 0.139 20 0 BCADHM COC(=O)[C@@H]1CCCN(CCNC(=O)[O-])C1 ZINC000828630617 587454934 /nfs/dbraw/zinc/45/49/34/587454934.db2.gz JHVUPTMKTLVXHQ-MRVPVSSYSA-N -1 3 230.264 0.139 20 0 BCADHM COC(=O)CCN(CCNC(=O)[O-])C(C)C ZINC000828670787 587456290 /nfs/dbraw/zinc/45/62/90/587456290.db2.gz KFTYHZJDFRIOOI-UHFFFAOYSA-N -1 3 232.280 0.528 20 0 BCADHM CC[C@H](C)[C@@H](NCC(=O)N(C)C)C(=O)[O-] ZINC000828735550 587459410 /nfs/dbraw/zinc/45/94/10/587459410.db2.gz BSARPWQPENAZKE-IONNQARKSA-N -1 3 216.281 0.164 20 0 BCADHM O=C(NN1CCCCC1)c1cc(=O)[n-]cn1 ZINC000860441512 589100902 /nfs/dbraw/zinc/10/09/02/589100902.db2.gz PFVVDPYIGWMGRE-UHFFFAOYSA-N -1 3 222.248 0.313 20 0 BCADHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)c1ccnn1C ZINC000828892578 587468983 /nfs/dbraw/zinc/46/89/83/587468983.db2.gz PDRJMJWKIUMLCK-ZETCQYMHSA-N -1 3 247.258 0.407 20 0 BCADHM COC[C@H](NC1CN(C(=O)[O-])C1)C1CC1 ZINC000828920854 587471470 /nfs/dbraw/zinc/47/14/70/587471470.db2.gz SQDYWWRMPNMUEG-VIFPVBQESA-N -1 3 214.265 0.363 20 0 BCADHM COC[C@@H](O)CN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000828920240 587472044 /nfs/dbraw/zinc/47/20/44/587472044.db2.gz HGAISIMWGIWEIJ-UWVGGRQHSA-N -1 3 246.307 0.068 20 0 BCADHM COC[C@H](NC1CN(C(=O)[O-])C1)C(C)C ZINC000828920961 587472172 /nfs/dbraw/zinc/47/21/72/587472172.db2.gz VLHXZZSBGXTSRQ-VIFPVBQESA-N -1 3 216.281 0.609 20 0 BCADHM CC[C@H](NC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000828932961 587473010 /nfs/dbraw/zinc/47/30/10/587473010.db2.gz DCJGYTVMBJQSSO-QMMMGPOBSA-N -1 3 216.281 0.306 20 0 BCADHM COCCCN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828950555 587475077 /nfs/dbraw/zinc/47/50/77/587475077.db2.gz MBSKVEHIZBQJMJ-SECBINFHSA-N -1 3 216.281 0.707 20 0 BCADHM COCCOC1CCN(CCNC(=O)[O-])CC1 ZINC000828995274 587477866 /nfs/dbraw/zinc/47/78/66/587477866.db2.gz FRDXHESCYAOLHS-UHFFFAOYSA-N -1 3 246.307 0.381 20 0 BCADHM COCCNCc1ccc(NC(=O)[O-])nc1 ZINC000828995189 587478061 /nfs/dbraw/zinc/47/80/61/587478061.db2.gz DSCVIEUINILWQP-UHFFFAOYSA-N -1 3 225.248 0.908 20 0 BCADHM CC[C@@H](O)CN1CCN([C@@H](CC)C(=O)[O-])CC1 ZINC000829004213 587478820 /nfs/dbraw/zinc/47/88/20/587478820.db2.gz CJEZZEXICGOHCP-MNOVXSKESA-N -1 3 244.335 0.238 20 0 BCADHM COCCOCCN1CC[C@@H](CNC(=O)[O-])C1 ZINC000829002046 587478878 /nfs/dbraw/zinc/47/88/78/587478878.db2.gz KQRDJYLLKPJECG-JTQLQIEISA-N -1 3 246.307 0.239 20 0 BCADHM COCCOCCN1CCC(NC(=O)[O-])CC1 ZINC000829002231 587478928 /nfs/dbraw/zinc/47/89/28/587478928.db2.gz OZJAOJFONMSYJD-UHFFFAOYSA-N -1 3 246.307 0.381 20 0 BCADHM CC[C@]1(C)CCN(CC(=O)NCCC(=O)[O-])C1 ZINC000829049779 587480901 /nfs/dbraw/zinc/48/09/01/587480901.db2.gz GCIXSSDTIRNWOG-GFCCVEGCSA-N -1 3 242.319 0.699 20 0 BCADHM CCN(CC)CC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000829671635 587508791 /nfs/dbraw/zinc/50/87/91/587508791.db2.gz ICFPAQFMJSTBQP-UWVGGRQHSA-N -1 3 242.319 0.507 20 0 BCADHM COCCO[N-]C(=O)C[C@H](C)n1ccc(C)n1 ZINC000829678789 587508967 /nfs/dbraw/zinc/50/89/67/587508967.db2.gz VQBIFNQMYWHZMI-JTQLQIEISA-N -1 3 241.291 0.837 20 0 BCADHM CCN1CCC[C@@H](NC(=O)[C@H](C)CC(=O)[O-])C1 ZINC000829765337 587514732 /nfs/dbraw/zinc/51/47/32/587514732.db2.gz QDZPUFIXGCHLOR-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM CCNC(=O)CN[C@H](C(=O)[O-])[C@H](C)CC ZINC000829790233 587516931 /nfs/dbraw/zinc/51/69/31/587516931.db2.gz JMFVOPWMPLNSOH-APPZFPTMSA-N -1 3 216.281 0.211 20 0 BCADHM CCNC(=O)CN[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000829790234 587517036 /nfs/dbraw/zinc/51/70/36/587517036.db2.gz JMFVOPWMPLNSOH-IONNQARKSA-N -1 3 216.281 0.211 20 0 BCADHM CCOC(=O)[C@H](CC)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000829823006 587520298 /nfs/dbraw/zinc/52/02/98/587520298.db2.gz QMNZLKHRFYQRJP-UTLUCORTSA-N -1 3 243.303 0.981 20 0 BCADHM CCOC(=O)/C=C\CN1CCC[C@H]1C(=O)[O-] ZINC000829837617 587522110 /nfs/dbraw/zinc/52/21/10/587522110.db2.gz KDDALLRLECNOME-RNEXMXFGSA-N -1 3 227.260 0.655 20 0 BCADHM CCOc1nc(NC(=O)[C@H](CC)OC)n[n-]1 ZINC000830396954 587549252 /nfs/dbraw/zinc/54/92/52/587549252.db2.gz ANGDJTNVWWKTFE-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nnc(NC(=O)[C@H](CC)OC)[n-]1 ZINC000830396954 587549254 /nfs/dbraw/zinc/54/92/54/587549254.db2.gz ANGDJTNVWWKTFE-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H](CC)OC)n1 ZINC000830396954 587549256 /nfs/dbraw/zinc/54/92/56/587549256.db2.gz ANGDJTNVWWKTFE-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nc(NC(=O)COCC2CC2)n[n-]1 ZINC000830397325 587549569 /nfs/dbraw/zinc/54/95/69/587549569.db2.gz SBQKYYVDHGWUGQ-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1nnc(NC(=O)COCC2CC2)[n-]1 ZINC000830397325 587549571 /nfs/dbraw/zinc/54/95/71/587549571.db2.gz SBQKYYVDHGWUGQ-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1n[n-]c(NC(=O)COCC2CC2)n1 ZINC000830397325 587549572 /nfs/dbraw/zinc/54/95/72/587549572.db2.gz SBQKYYVDHGWUGQ-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CN1C[C@H](NCc2c[nH]c(C(=O)[O-])c2)CC1=O ZINC000830918239 587577660 /nfs/dbraw/zinc/57/76/60/587577660.db2.gz TWXVANUENNZAHG-MRVPVSSYSA-N -1 3 237.259 0.033 20 0 BCADHM COC(=O)/C(C)=C\CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000831052877 587584115 /nfs/dbraw/zinc/58/41/15/587584115.db2.gz DMCLJOMCCJRTBN-BBYBGLFNSA-N -1 3 241.287 0.758 20 0 BCADHM COC(=O)[C@@H]1CCN(C/C=C(\C)C(=O)[O-])C1 ZINC000831115255 587586765 /nfs/dbraw/zinc/58/67/65/587586765.db2.gz WRFFTOBBPNINIP-QZGLAHODSA-N -1 3 227.260 0.512 20 0 BCADHM COC(=O)CCN1CCSC[C@H]1CC(=O)[O-] ZINC000831160444 587588490 /nfs/dbraw/zinc/58/84/90/587588490.db2.gz WMSDEZJSORNVNY-MRVPVSSYSA-N -1 3 247.316 0.442 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1c[n-]nn1 ZINC000831397220 587602719 /nfs/dbraw/zinc/60/27/19/587602719.db2.gz TWFUCQJDLNKRNH-CRCLSJGQSA-N -1 3 234.181 0.733 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1cnn[n-]1 ZINC000831397220 587602720 /nfs/dbraw/zinc/60/27/20/587602720.db2.gz TWFUCQJDLNKRNH-CRCLSJGQSA-N -1 3 234.181 0.733 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1cn[n-]n1 ZINC000831397220 587602723 /nfs/dbraw/zinc/60/27/23/587602723.db2.gz TWFUCQJDLNKRNH-CRCLSJGQSA-N -1 3 234.181 0.733 20 0 BCADHM COc1nc(NC(=O)C(C)(C)SC)n[n-]1 ZINC000831567051 587619541 /nfs/dbraw/zinc/61/95/41/587619541.db2.gz ZPCZNKFDDMZHJO-UHFFFAOYSA-N -1 3 230.293 0.893 20 0 BCADHM COc1nnc(NC(=O)C(C)(C)SC)[n-]1 ZINC000831567051 587619542 /nfs/dbraw/zinc/61/95/42/587619542.db2.gz ZPCZNKFDDMZHJO-UHFFFAOYSA-N -1 3 230.293 0.893 20 0 BCADHM COc1n[n-]c(NC(=O)C(C)(C)SC)n1 ZINC000831567051 587619544 /nfs/dbraw/zinc/61/95/44/587619544.db2.gz ZPCZNKFDDMZHJO-UHFFFAOYSA-N -1 3 230.293 0.893 20 0 BCADHM COC[C@](C)(CC(=O)[O-])NCc1cnn(C)c1 ZINC000831584437 587621352 /nfs/dbraw/zinc/62/13/52/587621352.db2.gz FEGNKCSBPVZAAH-NSHDSACASA-N -1 3 241.291 0.390 20 0 BCADHM CCCON=C([O-])Nc1cc(OC)ncn1 ZINC000831583380 587621691 /nfs/dbraw/zinc/62/16/91/587621691.db2.gz WIHLGZCGRLYYOK-UHFFFAOYSA-N -1 3 226.236 0.948 20 0 BCADHM CCCO[N-]C(=O)Nc1cc(OC)ncn1 ZINC000831583380 587621692 /nfs/dbraw/zinc/62/16/92/587621692.db2.gz WIHLGZCGRLYYOK-UHFFFAOYSA-N -1 3 226.236 0.948 20 0 BCADHM COC[C@@](C)(O)CNCc1c[nH]c(C(=O)[O-])c1 ZINC000831638067 587625320 /nfs/dbraw/zinc/62/53/20/587625320.db2.gz QJPPTHZTFOCXDN-NSHDSACASA-N -1 3 242.275 0.200 20 0 BCADHM COC[C@H](C)NCc1c[nH]c(C(=O)[O-])c1 ZINC000831643781 587625360 /nfs/dbraw/zinc/62/53/60/587625360.db2.gz POCKWNJRQIVAKZ-ZETCQYMHSA-N -1 3 212.249 0.837 20 0 BCADHM COC[C@H](C)N[C@@H](C(=O)[O-])c1cccnc1 ZINC000831644114 587625840 /nfs/dbraw/zinc/62/58/40/587625840.db2.gz USCUZKIPEXYEJJ-WCBMZHEXSA-N -1 3 224.260 0.832 20 0 BCADHM Cn1cc(CCC(=O)[N-]OC2CCCC2)nn1 ZINC000831701957 587627952 /nfs/dbraw/zinc/62/79/52/587627952.db2.gz IWIKASIZVGVTMD-UHFFFAOYSA-N -1 3 238.291 0.738 20 0 BCADHM CON(C)C(=O)CN(CCC(=O)[O-])CC(C)C ZINC000831836257 587633647 /nfs/dbraw/zinc/63/36/47/587633647.db2.gz CJTZSZQLPADXAJ-UHFFFAOYSA-N -1 3 246.307 0.439 20 0 BCADHM O=C([O-])N1CC(N[C@@H]2CCCOC2)C1 ZINC000831852358 587634720 /nfs/dbraw/zinc/63/47/20/587634720.db2.gz OJUCKTHYXPMDPT-SSDOTTSWSA-N -1 3 200.238 0.117 20 0 BCADHM O=CN1CCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000832009257 587642824 /nfs/dbraw/zinc/64/28/24/587642824.db2.gz BLLCDCAIVKULGK-MRVPVSSYSA-N -1 3 235.243 0.347 20 0 BCADHM O=C([O-])NC[C@H]1CCC[C@@H]1NCc1cc[nH]n1 ZINC000832481203 587662632 /nfs/dbraw/zinc/66/26/32/587662632.db2.gz GTCMLGAERVJRNV-SCZZXKLOSA-N -1 3 238.291 0.936 20 0 BCADHM O=C([O-])NC[C@H]1CCCCN1CCO ZINC000832528525 587665163 /nfs/dbraw/zinc/66/51/63/587665163.db2.gz SJXNHKFLHJBHMH-MRVPVSSYSA-N -1 3 202.254 0.101 20 0 BCADHM O=C([O-])NCCN1CCN(CC2CC2)CC1 ZINC000832642170 587671984 /nfs/dbraw/zinc/67/19/84/587671984.db2.gz UKFYMXNUZVEADO-UHFFFAOYSA-N -1 3 227.308 0.282 20 0 BCADHM O=C([O-])NCCN1CCC(CCO)CC1 ZINC000832641941 587672237 /nfs/dbraw/zinc/67/22/37/587672237.db2.gz PBJUCMGXHYOAIX-UHFFFAOYSA-N -1 3 216.281 0.348 20 0 BCADHM C[C@@H](O)[C@@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833526137 587718870 /nfs/dbraw/zinc/71/88/70/587718870.db2.gz GJYASICBJNUZHM-RKDXNWHRSA-N -1 3 238.287 0.916 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@@H]2CO)O1 ZINC000833577312 587721263 /nfs/dbraw/zinc/72/12/63/587721263.db2.gz DGXYGHVWADMVQQ-ZJUUUORDSA-N -1 3 241.287 0.591 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2C[C@H](C)[C@H](O)C2)O1 ZINC000833585507 587721540 /nfs/dbraw/zinc/72/15/40/587721540.db2.gz XMUNACALWKTJGL-JVUFJMBOSA-N -1 3 241.287 0.447 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@](C)(O)C2)O1 ZINC000833583309 587721677 /nfs/dbraw/zinc/72/16/77/587721677.db2.gz JGGNPZPVJSMMFO-SKDRFNHKSA-N -1 3 241.287 0.591 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN(CCO)C2CC2)O1 ZINC000833584107 587721698 /nfs/dbraw/zinc/72/16/98/587721698.db2.gz NUVBVXNEBDGNEK-JTQLQIEISA-N -1 3 241.287 0.591 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2C[C@H](O)C[C@H]2C)O1 ZINC000833585084 587721876 /nfs/dbraw/zinc/72/18/76/587721876.db2.gz UABWPPZULRHYEH-SZEHBUNVSA-N -1 3 241.287 0.589 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2C[C@@H](O)C[C@H]2C)O1 ZINC000833585082 587721955 /nfs/dbraw/zinc/72/19/55/587721955.db2.gz UABWPPZULRHYEH-FKTZTGRPSA-N -1 3 241.287 0.589 20 0 BCADHM C[C@H]1CCC[C@H]1NCc1cn(CC(=O)[O-])nn1 ZINC000833609457 587723670 /nfs/dbraw/zinc/72/36/70/587723670.db2.gz SJBUJGXTPXLTKX-WCBMZHEXSA-N -1 3 238.291 0.641 20 0 BCADHM C[C@H]1CN(CCC(=O)[O-])CCN1CCF ZINC000833629431 587725187 /nfs/dbraw/zinc/72/51/87/587725187.db2.gz WDWCPFPNRHITLW-VIFPVBQESA-N -1 3 218.272 0.437 20 0 BCADHM CCC[C@@H](C(=O)NC[C@@H](C)C(=O)[O-])N(C)C ZINC000833647770 587726649 /nfs/dbraw/zinc/72/66/49/587726649.db2.gz KICZMPJXUIWSKX-BDAKNGLRSA-N -1 3 230.308 0.554 20 0 BCADHM CCCN(CCC)CN1C[C@H](C(=O)[O-])CC1=O ZINC000833650791 587727084 /nfs/dbraw/zinc/72/70/84/587727084.db2.gz AMCHSGTYOYWWDR-SNVBAGLBSA-N -1 3 242.319 0.999 20 0 BCADHM Cn1nncc1CNC1(CC(=O)[O-])CCC1 ZINC000833759497 587730203 /nfs/dbraw/zinc/73/02/03/587730203.db2.gz LFEHUHLJKYKCDA-UHFFFAOYSA-N -1 3 224.264 0.302 20 0 BCADHM O=C([O-])[C@@H]1CC12CCN(CC1OCCO1)CC2 ZINC000833771956 587730651 /nfs/dbraw/zinc/73/06/51/587730651.db2.gz VQCJQQJQUJMYMB-VIFPVBQESA-N -1 3 241.287 0.546 20 0 BCADHM O=C([O-])[C@H]1CC12CCN(CC1OCCO1)CC2 ZINC000833771954 587730899 /nfs/dbraw/zinc/73/08/99/587730899.db2.gz VQCJQQJQUJMYMB-SECBINFHSA-N -1 3 241.287 0.546 20 0 BCADHM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC1OCCO1 ZINC000833829882 587734393 /nfs/dbraw/zinc/73/43/93/587734393.db2.gz HMZAUMKXSBGTBI-BDAKNGLRSA-N -1 3 244.291 0.337 20 0 BCADHM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CCF ZINC000833833849 587735248 /nfs/dbraw/zinc/73/52/48/587735248.db2.gz LAJHANBXGFACFS-YUMQZZPRSA-N -1 3 204.245 0.934 20 0 BCADHM CCCN(C)CC(=O)N[C@H](C)CCNC(=O)[O-] ZINC000833853822 587735938 /nfs/dbraw/zinc/73/59/38/587735938.db2.gz PDUNTOYPPCCMRX-SECBINFHSA-N -1 3 245.323 0.491 20 0 BCADHM Cn1nncc1CNC1CCN(C(=O)[O-])CC1 ZINC000833961748 587740429 /nfs/dbraw/zinc/74/04/29/587740429.db2.gz WQENZSRRRCNUAW-UHFFFAOYSA-N -1 3 239.279 0.047 20 0 BCADHM O=C([O-])N1CC[C@H](N(CCO)C2CC2)C1 ZINC000834084551 587744866 /nfs/dbraw/zinc/74/48/66/587744866.db2.gz VFPGKEYMFAESBF-VIFPVBQESA-N -1 3 214.265 0.195 20 0 BCADHM O=C([O-])N[C@@H]1CCCN([C@H]2CCOC2)C1 ZINC000834183019 587748203 /nfs/dbraw/zinc/74/82/03/587748203.db2.gz OYPCWYDENZLKBN-BDAKNGLRSA-N -1 3 214.265 0.507 20 0 BCADHM O=C([O-])NCC1CCN([C@@H]2CCOC2)CC1 ZINC000834224873 587749327 /nfs/dbraw/zinc/74/93/27/587749327.db2.gz LBUIMASTIWGVCP-SNVBAGLBSA-N -1 3 228.292 0.755 20 0 BCADHM O=C([O-])NCCN1CCC2(CCOC2)CC1 ZINC000834239534 587749745 /nfs/dbraw/zinc/74/97/45/587749745.db2.gz MWSFTHBZYBQHAC-UHFFFAOYSA-N -1 3 228.292 0.757 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC000834618204 587761082 /nfs/dbraw/zinc/76/10/82/587761082.db2.gz HKZYJUDCXZWFCR-WDSKDSINSA-N -1 3 223.219 0.706 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCC(F)F ZINC000834621778 587761433 /nfs/dbraw/zinc/76/14/33/587761433.db2.gz KYVYZADYDJRVST-UHFFFAOYSA-N -1 3 211.208 0.850 20 0 BCADHM CC(C)(O)CO[N-]C(=O)/C=C\[C@@H]1CCCO1 ZINC000834628602 587761987 /nfs/dbraw/zinc/76/19/87/587761987.db2.gz SCYHKCPXGXWJCM-UDIARPCQSA-N -1 3 229.276 0.540 20 0 BCADHM C[C@H]1CC=C(C(=O)[N-]OCC(N)=O)CC1 ZINC000836780730 587836623 /nfs/dbraw/zinc/83/66/23/587836623.db2.gz HIXGCEISWZQYOB-ZETCQYMHSA-N -1 3 212.249 0.266 20 0 BCADHM CC(C)OCCC(=O)[N-]OC(C)(C)CO ZINC000836802152 587837559 /nfs/dbraw/zinc/83/75/59/587837559.db2.gz QZOGKNLGUPZYNP-UHFFFAOYSA-N -1 3 219.281 0.620 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CC1CCC1 ZINC000836802567 587837658 /nfs/dbraw/zinc/83/76/58/587837658.db2.gz ALGPXEQTURLVET-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM CC(C)N(C)CC(=O)[N-]OC(C)(C)CO ZINC000836803584 587837704 /nfs/dbraw/zinc/83/77/04/587837704.db2.gz KIAPKOUONMOLMO-UHFFFAOYSA-N -1 3 218.297 0.145 20 0 BCADHM CC[C@@H](C(=O)[N-]OC(C)(C)CO)N(CC)CC ZINC000836803245 587837718 /nfs/dbraw/zinc/83/77/18/587837718.db2.gz ILANHNXZRQDYHT-JTQLQIEISA-N -1 3 246.351 0.926 20 0 BCADHM CCN(CC(=O)[N-]OC(C)(C)CO)C1CC1 ZINC000836804952 587837969 /nfs/dbraw/zinc/83/79/69/587837969.db2.gz OJEFMZCVPODYSJ-UHFFFAOYSA-N -1 3 230.308 0.289 20 0 BCADHM COCCC1(C(=O)[N-]O[C@H](CO)C(C)C)CC1 ZINC000836891581 587840386 /nfs/dbraw/zinc/84/03/86/587840386.db2.gz JJUQIABUOKLSBF-SNVBAGLBSA-N -1 3 245.319 0.868 20 0 BCADHM CC[C@@H](C(=O)[N-]O[C@@H](CO)C(C)C)N(C)C ZINC000836888779 587841172 /nfs/dbraw/zinc/84/11/72/587841172.db2.gz BRIOACYEBJDXNW-UWVGGRQHSA-N -1 3 232.324 0.391 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CC1(O)CCC1 ZINC000836888366 587841334 /nfs/dbraw/zinc/84/13/34/587841334.db2.gz MDMAJDDIYSCSTP-SECBINFHSA-N -1 3 231.292 0.356 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CCSC1 ZINC000836890835 587841479 /nfs/dbraw/zinc/84/14/79/587841479.db2.gz KVPHDTZMNCGDCM-BDAKNGLRSA-N -1 3 233.333 0.804 20 0 BCADHM CCN(CC(=O)[N-]O[C@H](CO)C(C)C)C1CC1 ZINC000836891468 587841544 /nfs/dbraw/zinc/84/15/44/587841544.db2.gz JHEHDMDRBQSFKN-LLVKDONJSA-N -1 3 244.335 0.535 20 0 BCADHM CO[C@H](C)CCC(=O)[N-]O[C@H](CO)C(C)C ZINC000836893362 587841735 /nfs/dbraw/zinc/84/17/35/587841735.db2.gz XTRJGRSOLXPHFF-NXEZZACHSA-N -1 3 233.308 0.866 20 0 BCADHM CS/C=C/C(=O)[N-]O[C@H](CO)C(C)C ZINC000836894020 587841751 /nfs/dbraw/zinc/84/17/51/587841751.db2.gz ZKBVNRUYGWSOAU-WTSVBCDHSA-N -1 3 219.306 0.928 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H](C(C)C)N(C)C ZINC000836894049 587841798 /nfs/dbraw/zinc/84/17/98/587841798.db2.gz ZXVXHRIQWZPAAZ-WDEREUQCSA-N -1 3 246.351 0.637 20 0 BCADHM CC(C)[C@H](C(=O)[N-]O[C@H](CO)C(C)C)N(C)C ZINC000836894046 587841819 /nfs/dbraw/zinc/84/18/19/587841819.db2.gz ZXVXHRIQWZPAAZ-GHMZBOCLSA-N -1 3 246.351 0.637 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CC1(O)CCCC1 ZINC000836893455 587841877 /nfs/dbraw/zinc/84/18/77/587841877.db2.gz BDYRVTZDJLMNFH-JTQLQIEISA-N -1 3 245.319 0.746 20 0 BCADHM CO[C@@H](C)CC(=O)[N-]O[C@H](CO)C(C)C ZINC000836896060 587842128 /nfs/dbraw/zinc/84/21/28/587842128.db2.gz HJEBBRIZINYETM-DTWKUNHWSA-N -1 3 219.281 0.476 20 0 BCADHM CCN(CC)CC(=O)[N-]O[C@H](CO)C(C)C ZINC000836896964 587842133 /nfs/dbraw/zinc/84/21/33/587842133.db2.gz UNKRZSTXHZCNIC-SNVBAGLBSA-N -1 3 232.324 0.393 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C1=COCCC1 ZINC000836897416 587842217 /nfs/dbraw/zinc/84/22/17/587842217.db2.gz QKTGJPLLFNUKPR-JTQLQIEISA-N -1 3 229.276 0.745 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C[C@H]1CCCO1 ZINC000836902292 587842314 /nfs/dbraw/zinc/84/23/14/587842314.db2.gz ZGZUAJAZGOLJRE-ZJUUUORDSA-N -1 3 231.292 0.620 20 0 BCADHM COCCCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836899443 587842335 /nfs/dbraw/zinc/84/23/35/587842335.db2.gz HWEINIFVRNWKDF-VIFPVBQESA-N -1 3 219.281 0.478 20 0 BCADHM CC[C@@](COC)([N-]C(=O)C(F)F)C(=O)OC ZINC000837256739 587861962 /nfs/dbraw/zinc/86/19/62/587861962.db2.gz LQERBRPMDSXYLI-VIFPVBQESA-N -1 3 239.218 0.336 20 0 BCADHM O=C(OC[C@@H]1COCCO1)c1cncc([O-])c1 ZINC000837516347 587879539 /nfs/dbraw/zinc/87/95/39/587879539.db2.gz DVWOBBTVCQHYQG-JTQLQIEISA-N -1 3 239.227 0.359 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000837536692 587880295 /nfs/dbraw/zinc/88/02/95/587880295.db2.gz BCPYNIDUGSCFFS-IVZWLZJFSA-N -1 3 241.287 0.686 20 0 BCADHM O=C(OCCn1cc(Cl)cn1)c1cnn[n-]1 ZINC000837728848 587893263 /nfs/dbraw/zinc/89/32/63/587893263.db2.gz NQJLPYRGHQYHRA-UHFFFAOYSA-N -1 3 241.638 0.512 20 0 BCADHM O=C(OCCn1cc(Cl)cn1)c1c[n-]nn1 ZINC000837728848 587893264 /nfs/dbraw/zinc/89/32/64/587893264.db2.gz NQJLPYRGHQYHRA-UHFFFAOYSA-N -1 3 241.638 0.512 20 0 BCADHM O=C(OCCOCCO)c1cc([O-])ccc1F ZINC000837871075 587901543 /nfs/dbraw/zinc/90/15/43/587901543.db2.gz XNKNSKZULVHJIP-UHFFFAOYSA-N -1 3 244.218 0.697 20 0 BCADHM CO[N-]C(=O)CCCC(=O)NC(C)C ZINC000104141873 587939139 /nfs/dbraw/zinc/93/91/39/587939139.db2.gz NBNCXYALTUEOAB-UHFFFAOYSA-N -1 3 202.254 0.359 20 0 BCADHM CO[C@H](CC(C)C)C(=O)[N-]OCCN(C)C ZINC000841441499 587954421 /nfs/dbraw/zinc/95/44/21/587954421.db2.gz LSBKZVIXEPEAHG-SNVBAGLBSA-N -1 3 232.324 0.657 20 0 BCADHM C[C@@]1(O)C[C@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000841450722 587954619 /nfs/dbraw/zinc/95/46/19/587954619.db2.gz QBMWLYWVJOAEQF-KIRWANIJSA-N -1 3 229.173 0.916 20 0 BCADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)CCC2CC2)C(=O)O1 ZINC000841521844 587957673 /nfs/dbraw/zinc/95/76/73/587957673.db2.gz GNLATDXFDSOJFN-IONNQARKSA-N -1 3 247.316 0.410 20 0 BCADHM Cn1cc(S(=O)(=O)[N-]C2CCC2)nc1Cl ZINC000841527554 587957691 /nfs/dbraw/zinc/95/76/91/587957691.db2.gz RKUDXWDYYCMXTE-UHFFFAOYSA-N -1 3 249.723 0.904 20 0 BCADHM CCCCCS(=O)(=O)[N-][C@@H]1C[C@H](C)OC1=O ZINC000841523139 587957719 /nfs/dbraw/zinc/95/77/19/587957719.db2.gz LMEPFGLCEBRBAR-DTWKUNHWSA-N -1 3 249.332 0.800 20 0 BCADHM NCC(F)(F)CNC(=O)c1ccc(N)cc1[O-] ZINC000841849719 587977742 /nfs/dbraw/zinc/97/77/42/587977742.db2.gz IHONPUHHDWSJFX-UHFFFAOYSA-N -1 3 245.229 0.298 20 0 BCADHM O=c1cc(-c2noc(C3(O)CCCC3)n2)nc[n-]1 ZINC000843025758 588075317 /nfs/dbraw/zinc/07/53/17/588075317.db2.gz CDGDYDAEBMBFRF-UHFFFAOYSA-N -1 3 248.242 0.994 20 0 BCADHM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCC(=O)C1 ZINC000843782114 588139840 /nfs/dbraw/zinc/13/98/40/588139840.db2.gz PLBYZVFJZCJJSP-SCZZXKLOSA-N -1 3 227.260 0.930 20 0 BCADHM COCC1(CC(=O)[N-]OC[C@H]2CCOC2)CC1 ZINC000843862457 588146111 /nfs/dbraw/zinc/14/61/11/588146111.db2.gz BQDZEYXOKNSEFI-JTQLQIEISA-N -1 3 243.303 0.887 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC000843885871 588147859 /nfs/dbraw/zinc/14/78/59/588147859.db2.gz NGFCHPRTKIGJJU-MRVPVSSYSA-N -1 3 215.249 0.440 20 0 BCADHM CCCO[N-]C(=O)CC[C@]1(C)CCC(=O)N1 ZINC000844086037 588163870 /nfs/dbraw/zinc/16/38/70/588163870.db2.gz UEWHHGLPDBFYNH-NSHDSACASA-N -1 3 228.292 0.893 20 0 BCADHM CCCO[N-]C(=O)CCCCC(N)=O ZINC000844088031 588165771 /nfs/dbraw/zinc/16/57/71/588165771.db2.gz LHTJXCVRBBCIID-UHFFFAOYSA-N -1 3 202.254 0.490 20 0 BCADHM CCCONC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000844088164 588165953 /nfs/dbraw/zinc/16/59/53/588165953.db2.gz LLRFQVANYAXKDE-UHFFFAOYSA-N -1 3 226.232 0.873 20 0 BCADHM CCCO[N-]C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000844090376 588166212 /nfs/dbraw/zinc/16/62/12/588166212.db2.gz OVXZCLWRHFPEEC-SECBINFHSA-N -1 3 249.332 0.659 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1CCC(=O)C1 ZINC000844137802 588170320 /nfs/dbraw/zinc/17/03/20/588170320.db2.gz YWOLZQOTMOSWMU-ZETCQYMHSA-N -1 3 215.249 0.174 20 0 BCADHM CSc1cccnc1NC([O-])=NOCCO ZINC000844824504 588218002 /nfs/dbraw/zinc/21/80/02/588218002.db2.gz IACWMHQRKCIACK-UHFFFAOYSA-N -1 3 243.288 0.849 20 0 BCADHM CSc1cccnc1NC(=O)[N-]OCCO ZINC000844824504 588218003 /nfs/dbraw/zinc/21/80/03/588218003.db2.gz IACWMHQRKCIACK-UHFFFAOYSA-N -1 3 243.288 0.849 20 0 BCADHM CNC(=O)CCSCc1nc(C)cc(=O)[n-]1 ZINC000845332137 588227005 /nfs/dbraw/zinc/22/70/05/588227005.db2.gz LRCDTWRYZZAGDQ-UHFFFAOYSA-N -1 3 241.316 0.860 20 0 BCADHM O=C(OCC1CC=CC1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845493583 588230621 /nfs/dbraw/zinc/23/06/21/588230621.db2.gz KUIJODPZBCTDET-VIFPVBQESA-N -1 3 245.300 0.188 20 0 BCADHM CCC[C@@H](C)COC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845528742 588232224 /nfs/dbraw/zinc/23/22/24/588232224.db2.gz GATLRKXKYZWAJV-BDAKNGLRSA-N -1 3 249.332 0.658 20 0 BCADHM O=S(=O)([N-]C[C@@H]1COCO1)c1cccs1 ZINC000867398667 588247167 /nfs/dbraw/zinc/24/71/67/588247167.db2.gz DQPKPZKYNCPNQR-SSDOTTSWSA-N -1 3 249.313 0.399 20 0 BCADHM CCO[N-]C(=O)CNCc1cnc2ccccn12 ZINC000846089475 588256188 /nfs/dbraw/zinc/25/61/88/588256188.db2.gz SHUNPTBQOXRGHH-UHFFFAOYSA-N -1 3 248.286 0.492 20 0 BCADHM CN1CCC(O[N-]C(=O)CC2(O)CCC2)CC1 ZINC000846650425 588280335 /nfs/dbraw/zinc/28/03/35/588280335.db2.gz ADOZGAPWZQPERU-UHFFFAOYSA-N -1 3 242.319 0.434 20 0 BCADHM C[C@H](CC(=O)[N-]OCC(C)(C)O)n1ccnc1 ZINC000846642698 588280636 /nfs/dbraw/zinc/28/06/36/588280636.db2.gz MVOLNCAQKMYNAY-SECBINFHSA-N -1 3 241.291 0.653 20 0 BCADHM CCC[C@@H](OC)C(=O)[N-]OC1CCN(C)CC1 ZINC000846651802 588280789 /nfs/dbraw/zinc/28/07/89/588280789.db2.gz VOMVVPJQDJJQMC-LLVKDONJSA-N -1 3 244.335 0.944 20 0 BCADHM C/C(=C\c1cccnc1)C(=O)[N-]OCCO ZINC000847756052 588328969 /nfs/dbraw/zinc/32/89/69/588328969.db2.gz CXHTWECWPKZGKK-VQHVLOKHSA-N -1 3 222.244 0.525 20 0 BCADHM O=C(Cc1cnccc1Cl)[N-]OCCO ZINC000847756317 588329053 /nfs/dbraw/zinc/32/90/53/588329053.db2.gz HCWKFOTXQCRSPN-UHFFFAOYSA-N -1 3 230.651 0.318 20 0 BCADHM C/C(=C/c1cccnc1)C(=O)[N-]OCCO ZINC000847756051 588329207 /nfs/dbraw/zinc/32/92/07/588329207.db2.gz CXHTWECWPKZGKK-CLFYSBASSA-N -1 3 222.244 0.525 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC000847880252 588342098 /nfs/dbraw/zinc/34/20/98/588342098.db2.gz GSCQESWIORANFZ-GHMZBOCLSA-N -1 3 242.319 0.413 20 0 BCADHM Cc1[n-]nc(C(C)C)c1C(=O)O[C@H]1CNOC1 ZINC000848059321 588351978 /nfs/dbraw/zinc/35/19/78/588351978.db2.gz CTLKBXVQWVNULP-QMMMGPOBSA-N -1 3 239.275 0.902 20 0 BCADHM Cc1n[n-]c(C(C)C)c1C(=O)O[C@H]1CNOC1 ZINC000848059321 588351980 /nfs/dbraw/zinc/35/19/80/588351980.db2.gz CTLKBXVQWVNULP-QMMMGPOBSA-N -1 3 239.275 0.902 20 0 BCADHM O=C(O[C@H]1CNOC1)c1cccc2nn[n-]c21 ZINC000848060565 588352417 /nfs/dbraw/zinc/35/24/17/588352417.db2.gz TVVAGTVQISLCKR-LURJTMIESA-N -1 3 234.215 0.018 20 0 BCADHM O=C(O[C@H]1CNOC1)c1cccc2[n-]nnc21 ZINC000848060565 588352419 /nfs/dbraw/zinc/35/24/19/588352419.db2.gz TVVAGTVQISLCKR-LURJTMIESA-N -1 3 234.215 0.018 20 0 BCADHM O=C(O[C@H]1CNOC1)c1cccc2n[n-]nc21 ZINC000848060565 588352421 /nfs/dbraw/zinc/35/24/21/588352421.db2.gz TVVAGTVQISLCKR-LURJTMIESA-N -1 3 234.215 0.018 20 0 BCADHM CC(C)O[N-]C(=O)CN1CC[C@H](C)C1 ZINC000848163238 588363275 /nfs/dbraw/zinc/36/32/75/588363275.db2.gz YDFXIDNSOPIMKM-VIFPVBQESA-N -1 3 200.282 0.784 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CN1CC[C@@H](C)C1 ZINC000848197463 588365131 /nfs/dbraw/zinc/36/51/31/588365131.db2.gz ZFYIITBJZZDGGL-MNOVXSKESA-N -1 3 244.335 0.393 20 0 BCADHM C[C@@H]1CN=C([N-]C(=O)CN2CC[C@H](C)C2)S1 ZINC000848234710 588366108 /nfs/dbraw/zinc/36/61/08/588366108.db2.gz YQXWZPGUDAKVBA-DTWKUNHWSA-N -1 3 241.360 0.936 20 0 BCADHM O=C(Cc1cncc([O-])c1)NN1CCCC1 ZINC000848386688 588375833 /nfs/dbraw/zinc/37/58/33/588375833.db2.gz XRAVSWGSNJBDFO-UHFFFAOYSA-N -1 3 221.260 0.457 20 0 BCADHM O=C(O[C@@H]1CCOC1=O)c1ccc([O-])cc1O ZINC000849120795 588453146 /nfs/dbraw/zinc/45/31/46/588453146.db2.gz YFSSQCSVYNZQJH-SECBINFHSA-N -1 3 238.195 0.570 20 0 BCADHM C1=C[C@@H](N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000849175055 588460224 /nfs/dbraw/zinc/46/02/24/588460224.db2.gz ZHWIFIKFWMXXFN-SSDOTTSWSA-N -1 3 201.233 0.857 20 0 BCADHM N[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000849365923 588476151 /nfs/dbraw/zinc/47/61/51/588476151.db2.gz FGBULFKLVLUSHV-HRDYMLBCSA-N -1 3 226.276 0.189 20 0 BCADHM CCC(CC)COC(=O)CN1CC(=O)[N-]C1=O ZINC000849727800 588490439 /nfs/dbraw/zinc/49/04/39/588490439.db2.gz HKWKGOKMGVNDOO-UHFFFAOYSA-N -1 3 242.275 0.518 20 0 BCADHM CC1CC(COC(=O)[C@@H]2CCS(=O)(=O)[N-]2)C1 ZINC000851464694 588606475 /nfs/dbraw/zinc/60/64/75/588606475.db2.gz LKSJODWYHCFZOD-HACHORDNSA-N -1 3 247.316 0.267 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C2([C@@H](C)O)CC2)o1 ZINC000851831036 588634018 /nfs/dbraw/zinc/63/40/18/588634018.db2.gz JZOGVZXDFFMUAW-MRVPVSSYSA-N -1 3 245.300 0.780 20 0 BCADHM CO[C@H]1CC[C@H](N(C)Cc2n[n-]c(=O)o2)C1 ZINC000852187811 588670941 /nfs/dbraw/zinc/67/09/41/588670941.db2.gz UKZPXAFKTGZGNS-YUMQZZPRSA-N -1 3 227.264 0.775 20 0 BCADHM CSCCCCCCC(=O)[N-]OCC(N)=O ZINC000860581691 589107646 /nfs/dbraw/zinc/10/76/46/589107646.db2.gz UEZYXMRAJHUMSC-UHFFFAOYSA-N -1 3 248.348 0.833 20 0 BCADHM CCCCOC(=O)C[N-]S(=O)(=O)CCC ZINC000117927970 589139938 /nfs/dbraw/zinc/13/99/38/589139938.db2.gz VWHSPPTUZKZRQU-UHFFFAOYSA-N -1 3 237.321 0.659 20 0 BCADHM COc1cc(NC([O-])=NOC(C)C)[nH]n1 ZINC000861379777 589162062 /nfs/dbraw/zinc/16/20/62/589162062.db2.gz OGALKBVXBOXWCV-UHFFFAOYSA-N -1 3 214.225 0.880 20 0 BCADHM COc1cc(NC(=O)[N-]OC(C)C)[nH]n1 ZINC000861379777 589162063 /nfs/dbraw/zinc/16/20/63/589162063.db2.gz OGALKBVXBOXWCV-UHFFFAOYSA-N -1 3 214.225 0.880 20 0 BCADHM COCCCON=C([O-])Nc1cc(OC)n[nH]1 ZINC000861381047 589162277 /nfs/dbraw/zinc/16/22/77/589162277.db2.gz LZPYDDSLUILZSP-UHFFFAOYSA-N -1 3 244.251 0.508 20 0 BCADHM COCCCO[N-]C(=O)Nc1cc(OC)n[nH]1 ZINC000861381047 589162278 /nfs/dbraw/zinc/16/22/78/589162278.db2.gz LZPYDDSLUILZSP-UHFFFAOYSA-N -1 3 244.251 0.508 20 0 BCADHM C=CC(=O)N(C)CC(=O)NCc1ncccc1[O-] ZINC000861442297 589166032 /nfs/dbraw/zinc/16/60/32/589166032.db2.gz LBWXLPDVKZWBPV-UHFFFAOYSA-N -1 3 249.270 0.048 20 0 BCADHM CCn1ncc(C[N-]C(=O)C(C)(F)F)n1 ZINC000862380698 589206369 /nfs/dbraw/zinc/20/63/69/589206369.db2.gz LKOVTULNUFBQMR-UHFFFAOYSA-N -1 3 218.207 0.569 20 0 BCADHM CCCn1cc(C(=O)[N-]N2CCOC2=O)cn1 ZINC000862703526 589234729 /nfs/dbraw/zinc/23/47/29/589234729.db2.gz ZHYTXNSWALPPOG-UHFFFAOYSA-N -1 3 238.247 0.390 20 0 BCADHM O=C([O-])[C@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000863732372 589313895 /nfs/dbraw/zinc/31/38/95/589313895.db2.gz RUUORNXUNINXEP-VIFPVBQESA-N -1 3 236.271 0.875 20 0 BCADHM O=C([O-])[C@H]1CCCN1c1ccnc(CO)c1 ZINC000863732384 589313903 /nfs/dbraw/zinc/31/39/03/589313903.db2.gz SFDWPWFORSETNR-SNVBAGLBSA-N -1 3 222.244 0.627 20 0 BCADHM C[C@]1(C(=O)[O-])CCN(c2ccnc(CO)c2)C1 ZINC000863732496 589313948 /nfs/dbraw/zinc/31/39/48/589313948.db2.gz XCOKCBYNOPVWAO-LBPRGKRZSA-N -1 3 236.271 0.875 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)c1ccnc(CO)c1 ZINC000863732247 589314109 /nfs/dbraw/zinc/31/41/09/589314109.db2.gz NVGSOMGWJTYABI-ZETCQYMHSA-N -1 3 210.233 0.483 20 0 BCADHM COCCCO[N-]C(=O)CCc1cn[nH]c1 ZINC000863915610 589326093 /nfs/dbraw/zinc/32/60/93/589326093.db2.gz FQJGIYKQZRTJAV-UHFFFAOYSA-N -1 3 227.264 0.427 20 0 BCADHM CCOC(=O)c1cc(-c2ncnn2CC)n[n-]1 ZINC000864543689 589377388 /nfs/dbraw/zinc/37/73/88/589377388.db2.gz AKYQRTOJYOXGEC-UHFFFAOYSA-N -1 3 235.247 0.865 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCCC1CC1 ZINC000865367262 589426809 /nfs/dbraw/zinc/42/68/09/589426809.db2.gz SSEMODZDANUJIR-QMMMGPOBSA-N -1 3 246.332 0.584 20 0 BCADHM CSCC[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000120585574 589440275 /nfs/dbraw/zinc/44/02/75/589440275.db2.gz HBPLTBLGBBILCT-ZCFIWIBFSA-N -1 3 214.294 0.676 20 0 BCADHM CSCC[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000120585574 589440277 /nfs/dbraw/zinc/44/02/77/589440277.db2.gz HBPLTBLGBBILCT-ZCFIWIBFSA-N -1 3 214.294 0.676 20 0 BCADHM CSCC[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000120585574 589440278 /nfs/dbraw/zinc/44/02/78/589440278.db2.gz HBPLTBLGBBILCT-ZCFIWIBFSA-N -1 3 214.294 0.676 20 0 BCADHM CSCCO[N-]C(=O)CCCCO ZINC000867926048 589540114 /nfs/dbraw/zinc/54/01/14/589540114.db2.gz JYENTAKDZYKVSR-UHFFFAOYSA-N -1 3 207.295 0.560 20 0 BCADHM Cc1ccnc(NCCCc2c[n-][nH]c2=O)n1 ZINC000865942904 589469831 /nfs/dbraw/zinc/46/98/31/589469831.db2.gz XEVZVYPHDBUKBE-SECBINFHSA-N -1 3 233.275 0.709 20 0 BCADHM COCCO[N-]C(=O)CCC1(O)CCC1 ZINC000866353714 589487841 /nfs/dbraw/zinc/48/78/41/589487841.db2.gz ACLIHWZVPJVCFS-UHFFFAOYSA-N -1 3 217.265 0.376 20 0 BCADHM CCOC1CC2(C[C@H]2C(=O)[N-]OCCOC)C1 ZINC000866358649 589487977 /nfs/dbraw/zinc/48/79/77/589487977.db2.gz UKTVIEUUCNLDOQ-YZRBJQDESA-N -1 3 243.303 0.886 20 0 BCADHM CC[C@@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000866370248 589488605 /nfs/dbraw/zinc/48/86/05/589488605.db2.gz UHDSQOYXADMUHX-FUXBKTLASA-N -1 3 242.366 0.737 20 0 BCADHM CC(C)(C)[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866377613 589488732 /nfs/dbraw/zinc/48/87/32/589488732.db2.gz IXQKMHTWMFZQTF-UHFFFAOYSA-N -1 3 228.339 0.347 20 0 BCADHM CCC[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000866387085 589489407 /nfs/dbraw/zinc/48/94/07/589489407.db2.gz MBLWAEXJPXNIOG-GFCCVEGCSA-N -1 3 228.339 0.349 20 0 BCADHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC1CC1 ZINC000866451119 589493838 /nfs/dbraw/zinc/49/38/38/589493838.db2.gz PVNPWQIOINYTRZ-ZDUSSCGKSA-N -1 3 240.350 0.349 20 0 BCADHM CCOCC[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866523589 589499135 /nfs/dbraw/zinc/49/91/35/589499135.db2.gz RJJDBEXUYYREQS-UHFFFAOYSA-N -1 3 245.304 0.100 20 0 BCADHM Cc1ccccc1NC([O-])=NOCC(N)=O ZINC000121180066 589512152 /nfs/dbraw/zinc/51/21/52/589512152.db2.gz MIEDJUPLFBJDSS-UHFFFAOYSA-N -1 3 223.232 0.533 20 0 BCADHM Cc1ccccc1NC(=O)[N-]OCC(N)=O ZINC000121180066 589512154 /nfs/dbraw/zinc/51/21/54/589512154.db2.gz MIEDJUPLFBJDSS-UHFFFAOYSA-N -1 3 223.232 0.533 20 0 BCADHM C=C=CC[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000867469175 589521533 /nfs/dbraw/zinc/52/15/33/589521533.db2.gz FVFZXPUPPVNPEU-UHFFFAOYSA-N -1 3 227.289 0.522 20 0 BCADHM O=C(CCC1(O)CCC1)[N-]OC1CCOCC1 ZINC000867493803 589522482 /nfs/dbraw/zinc/52/24/82/589522482.db2.gz YAAFIALTSDCLHF-UHFFFAOYSA-N -1 3 243.303 0.908 20 0 BCADHM Cc1cnc(F)c(C(=O)[N-]OCC(C)(C)O)c1 ZINC000867858681 589537264 /nfs/dbraw/zinc/53/72/64/589537264.db2.gz IBNVRMVXECHNKU-UHFFFAOYSA-N -1 3 242.250 0.961 20 0 BCADHM O=C(CCCCO)[N-]OC/C=C\Cl ZINC000868469064 589559318 /nfs/dbraw/zinc/55/93/18/589559318.db2.gz GEHYKQHDTRCETD-HYXAFXHYSA-N -1 3 207.657 0.949 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)C1C=NC(=O)N1C ZINC000868522381 589562463 /nfs/dbraw/zinc/56/24/63/589562463.db2.gz GWBNLRHOIOJPMW-ZETCQYMHSA-N -1 3 227.264 0.833 20 0 BCADHM C[C@H](OC(=O)c1cnn[n-]1)C(=O)C(C)(C)C ZINC000869517432 589611087 /nfs/dbraw/zinc/61/10/87/589611087.db2.gz IJMWRTKERXERIV-LURJTMIESA-N -1 3 225.248 0.965 20 0 BCADHM C[C@H](OC(=O)c1c[n-]nn1)C(=O)C(C)(C)C ZINC000869517432 589611088 /nfs/dbraw/zinc/61/10/88/589611088.db2.gz IJMWRTKERXERIV-LURJTMIESA-N -1 3 225.248 0.965 20 0 BCADHM C[C@@H](OC(=O)c1cnn[n-]1)C(=O)C(C)(C)C ZINC000869517433 589611259 /nfs/dbraw/zinc/61/12/59/589611259.db2.gz IJMWRTKERXERIV-ZCFIWIBFSA-N -1 3 225.248 0.965 20 0 BCADHM C[C@@H](OC(=O)c1c[n-]nn1)C(=O)C(C)(C)C ZINC000869517433 589611261 /nfs/dbraw/zinc/61/12/61/589611261.db2.gz IJMWRTKERXERIV-ZCFIWIBFSA-N -1 3 225.248 0.965 20 0 BCADHM CC1(C)CO[C@H](COC(=O)c2cnn[n-]2)C1 ZINC000869518769 589611557 /nfs/dbraw/zinc/61/15/57/589611557.db2.gz WHKCCNSQKHRTIJ-ZETCQYMHSA-N -1 3 225.248 0.777 20 0 BCADHM CC1(C)CO[C@H](COC(=O)c2c[n-]nn2)C1 ZINC000869518769 589611558 /nfs/dbraw/zinc/61/15/58/589611558.db2.gz WHKCCNSQKHRTIJ-ZETCQYMHSA-N -1 3 225.248 0.777 20 0 BCADHM CSCC[C@@H](N)C(=O)[N-]O[C@H]1CCCCO1 ZINC000123169817 589671025 /nfs/dbraw/zinc/67/10/25/589671025.db2.gz QNHHMGITMDYELP-BDAKNGLRSA-N -1 3 248.348 0.641 20 0 BCADHM CS[C@H]1C[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000871091670 589723501 /nfs/dbraw/zinc/72/35/01/589723501.db2.gz BYRJTYUHMAXZGY-IZLXSQMJSA-N -1 3 212.278 0.429 20 0 BCADHM CS[C@H]1C[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000871091670 589723505 /nfs/dbraw/zinc/72/35/05/589723505.db2.gz BYRJTYUHMAXZGY-IZLXSQMJSA-N -1 3 212.278 0.429 20 0 BCADHM CS[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000871091670 589723509 /nfs/dbraw/zinc/72/35/09/589723509.db2.gz BYRJTYUHMAXZGY-IZLXSQMJSA-N -1 3 212.278 0.429 20 0 BCADHM CC(C)(NC(=O)c1c[n-]nn1)[C@H]1CCCCO1 ZINC000871166749 589741957 /nfs/dbraw/zinc/74/19/57/589741957.db2.gz WWYHRZHUFBYMHT-SECBINFHSA-N -1 3 238.291 0.882 20 0 BCADHM CC(C)(NC(=O)c1cnn[n-]1)[C@H]1CCCCO1 ZINC000871166749 589741959 /nfs/dbraw/zinc/74/19/59/589741959.db2.gz WWYHRZHUFBYMHT-SECBINFHSA-N -1 3 238.291 0.882 20 0 BCADHM CC(C)(NC(=O)c1cn[n-]n1)[C@H]1CCCCO1 ZINC000871166749 589741962 /nfs/dbraw/zinc/74/19/62/589741962.db2.gz WWYHRZHUFBYMHT-SECBINFHSA-N -1 3 238.291 0.882 20 0 BCADHM Cc1oc(=O)n(CC(=O)N(C)CC2CC2)c1[O-] ZINC000871779362 589814703 /nfs/dbraw/zinc/81/47/03/589814703.db2.gz BQTSXQZUHBPMJR-SSDOTTSWSA-N -1 3 240.259 0.222 20 0 BCADHM Cc1oc(=O)n(CC(=O)NCC2CCC2)c1[O-] ZINC000871781419 589816223 /nfs/dbraw/zinc/81/62/23/589816223.db2.gz DSPCSUMACIRCAU-ZETCQYMHSA-N -1 3 240.259 0.270 20 0 BCADHM Cc1oc(=O)n(CC(=O)Nc2ccccc2)c1[O-] ZINC000871782349 589817314 /nfs/dbraw/zinc/81/73/14/589817314.db2.gz NSYHZXNYBYTPKE-MRVPVSSYSA-N -1 3 248.238 0.992 20 0 BCADHM Cc1oc(=O)n(CC(=O)c2cccn2C)c1[O-] ZINC000871782455 589817553 /nfs/dbraw/zinc/81/75/53/589817553.db2.gz PQTLSNGOESWLCK-ZETCQYMHSA-N -1 3 236.227 0.575 20 0 BCADHM Cc1[n-]n(C[C@@H]2CCCO2)c(=O)c1F ZINC000871948939 589834680 /nfs/dbraw/zinc/83/46/80/589834680.db2.gz IUXMRUNDAQNFQF-JGVFFNPUSA-N -1 3 200.213 0.722 20 0 BCADHM CN(C)CCn1[n-]c(C(F)(F)F)c(F)c1=O ZINC000871943254 589837037 /nfs/dbraw/zinc/83/70/37/589837037.db2.gz DBTRIYZVILHFKA-RXMQYKEDSA-N -1 3 241.188 0.647 20 0 BCADHM Cc1[n-]n(CCS(C)(=O)=O)c(=O)c1C1CC1 ZINC000871950777 589840518 /nfs/dbraw/zinc/84/05/18/589840518.db2.gz HBAPCFWLLJIJRV-VIFPVBQESA-N -1 3 244.316 0.275 20 0 BCADHM Cc1[n-]n([C@H]2CCCOC2)c(=O)c1F ZINC000871957586 589843594 /nfs/dbraw/zinc/84/35/94/589843594.db2.gz IIBMKTALOWTYIU-YUMQZZPRSA-N -1 3 200.213 0.722 20 0 BCADHM Cc1[n-]n(C2=N[C@@H]3CCCC[C@H]3N2)c(=O)c1F ZINC000871964064 589846873 /nfs/dbraw/zinc/84/68/73/589846873.db2.gz VXHVBCOLZZBJCE-IWSPIJDZSA-N -1 3 238.266 0.813 20 0 BCADHM CN(C)C(=O)CCNc1cc(Cl)n[n-]c1=O ZINC000872414862 589936903 /nfs/dbraw/zinc/93/69/03/589936903.db2.gz RHGKGVJMNMXBKA-UHFFFAOYSA-N -1 3 244.682 0.726 20 0 BCADHM C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872429776 589939096 /nfs/dbraw/zinc/93/90/96/589939096.db2.gz JTKJGKQEDFFQSO-GFCCVEGCSA-N -1 3 228.339 0.347 20 0 BCADHM C[C@H](CO)N(C)c1cc(Cl)n[n-]c1=O ZINC000872491800 589942748 /nfs/dbraw/zinc/94/27/48/589942748.db2.gz SISQHAXJWVPCPJ-RXMQYKEDSA-N -1 3 217.656 0.653 20 0 BCADHM COC[C@@H](O)CCNc1cc(Cl)n[n-]c1=O ZINC000872497620 589944419 /nfs/dbraw/zinc/94/44/19/589944419.db2.gz MHKLWVNDKSEACT-LURJTMIESA-N -1 3 247.682 0.645 20 0 BCADHM O=c1[n-]nc(Cl)cc1NCC(F)(F)CO ZINC000872512097 589945630 /nfs/dbraw/zinc/94/56/30/589945630.db2.gz QAUXPWWANYOOMB-UHFFFAOYSA-N -1 3 239.609 0.875 20 0 BCADHM O=c1[n-]nc(Cl)cc1NC1COCCOC1 ZINC000872552443 589949967 /nfs/dbraw/zinc/94/99/67/589949967.db2.gz YHSWKYUIHMNHFD-UHFFFAOYSA-N -1 3 245.666 0.663 20 0 BCADHM CO[C@@H]1CN(c2cc(Cl)n[n-]c2=O)C[C@H]1O ZINC000872563581 589951381 /nfs/dbraw/zinc/95/13/81/589951381.db2.gz FKDMLUOYVDWRSF-RNFRBKRXSA-N -1 3 245.666 0.032 20 0 BCADHM CO[C@@H]1COC[C@H]1Nc1cc(Cl)n[n-]c1=O ZINC000872581540 589954074 /nfs/dbraw/zinc/95/40/74/589954074.db2.gz BUQZIJSUSYHFCX-RNFRBKRXSA-N -1 3 245.666 0.661 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCc1ccnn1C ZINC000873387055 590035834 /nfs/dbraw/zinc/03/58/34/590035834.db2.gz UAIDMBVXYQBBHI-UHFFFAOYSA-N -1 3 235.247 0.246 20 0 BCADHM Cc1conc1COC(=O)c1cnn[n-]1 ZINC000873393756 590036763 /nfs/dbraw/zinc/03/67/63/590036763.db2.gz QXJMOYKANIZGNS-UHFFFAOYSA-N -1 3 208.177 0.458 20 0 BCADHM Cc1conc1COC(=O)c1c[n-]nn1 ZINC000873393756 590036766 /nfs/dbraw/zinc/03/67/66/590036766.db2.gz QXJMOYKANIZGNS-UHFFFAOYSA-N -1 3 208.177 0.458 20 0 BCADHM O=C(OC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cnn[n-]1 ZINC000873393944 590037181 /nfs/dbraw/zinc/03/71/81/590037181.db2.gz STKBLLHVBGRRLB-OYNCUSHFSA-N -1 3 237.259 0.919 20 0 BCADHM O=C(OC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1c[n-]nn1 ZINC000873393944 590037184 /nfs/dbraw/zinc/03/71/84/590037184.db2.gz STKBLLHVBGRRLB-OYNCUSHFSA-N -1 3 237.259 0.919 20 0 BCADHM CN1CC[C@@](C)(C(=O)[N-]C2=NCCS2)C1=O ZINC000873838040 590073539 /nfs/dbraw/zinc/07/35/39/590073539.db2.gz PBKVZHYFRKWHGG-JTQLQIEISA-N -1 3 241.316 0.074 20 0 BCADHM C[C@@]1(C(=O)Nc2ccccc2[O-])CCC(=O)N1 ZINC000874123115 590093307 /nfs/dbraw/zinc/09/33/07/590093307.db2.gz HGJLVAZOQCPNIC-LBPRGKRZSA-N -1 3 234.255 0.999 20 0 BCADHM O=C(N[C@@H]1CC12CCC2)c1cc(=O)[n-]cn1 ZINC000874775156 590128443 /nfs/dbraw/zinc/12/84/43/590128443.db2.gz RYDMTUDNHAKGDS-MRVPVSSYSA-N -1 3 219.244 0.855 20 0 BCADHM CO[N-]C(=O)[C@H](N)Cc1cccc(OC)c1 ZINC000876706561 590232273 /nfs/dbraw/zinc/23/22/73/590232273.db2.gz XROVRVFBHGZCPL-SNVBAGLBSA-N -1 3 224.260 0.243 20 0 BCADHM C[C@H]1CC2(CC(NC(=O)c3c[n-]nn3)C2)CO1 ZINC000888736591 590291163 /nfs/dbraw/zinc/29/11/63/590291163.db2.gz QABTVEWVCMDFAJ-JYPKXMCJSA-N -1 3 236.275 0.492 20 0 BCADHM C[C@H]1CC2(CC(NC(=O)c3cnn[n-]3)C2)CO1 ZINC000888736591 590291164 /nfs/dbraw/zinc/29/11/64/590291164.db2.gz QABTVEWVCMDFAJ-JYPKXMCJSA-N -1 3 236.275 0.492 20 0 BCADHM C[C@H]1CC2(CC(NC(=O)c3cn[n-]n3)C2)CO1 ZINC000888736591 590291165 /nfs/dbraw/zinc/29/11/65/590291165.db2.gz QABTVEWVCMDFAJ-JYPKXMCJSA-N -1 3 236.275 0.492 20 0 BCADHM COC[C@H](Cn1c([O-])coc1=O)C(C)C ZINC000877891442 590441000 /nfs/dbraw/zinc/44/10/00/590441000.db2.gz QFZPCIRWRCKHPZ-QMMMGPOBSA-N -1 3 215.249 0.884 20 0 BCADHM Cc1cnc([N-]C(=O)c2nnn(C)n2)s1 ZINC000878022712 590474343 /nfs/dbraw/zinc/47/43/43/590474343.db2.gz BKDUQMMDINFWQO-UHFFFAOYSA-N -1 3 224.249 0.227 20 0 BCADHM C=C/C=C\CCN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000878319717 590545142 /nfs/dbraw/zinc/54/51/42/590545142.db2.gz ZPYROSOOFVZKPD-UMBAGQNISA-N -1 3 235.287 0.355 20 0 BCADHM CCc1cnc([N-]C(=O)c2nnn(C)n2)s1 ZINC000879003487 590675951 /nfs/dbraw/zinc/67/59/51/590675951.db2.gz KDCLTSDHDGHDHB-UHFFFAOYSA-N -1 3 238.276 0.481 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2CCNC2=O)n1 ZINC000879442570 590771956 /nfs/dbraw/zinc/77/19/56/590771956.db2.gz UTIVXVXWZCYOTQ-QMMMGPOBSA-N -1 3 249.270 0.560 20 0 BCADHM O=C([O-])[C@@H]1CN(C[C@@H]2CCCOC2)CCO1 ZINC000083415280 604775950 /nfs/dbraw/zinc/77/59/50/604775950.db2.gz FRLBBEORBXAVPX-UWVGGRQHSA-N -1 3 229.276 0.198 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CCF ZINC000888817866 591071314 /nfs/dbraw/zinc/07/13/14/591071314.db2.gz JSRPBLXXSCKVEJ-UHFFFAOYSA-N -1 3 207.201 0.347 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CC1(C)COC1 ZINC000888818061 591075767 /nfs/dbraw/zinc/07/57/67/591075767.db2.gz RDFQMXUDJSYTIK-UHFFFAOYSA-N -1 3 245.275 0.414 20 0 BCADHM CCO[N-]C(=O)Nc1cc2n(n1)CCN(C)C2 ZINC000880818124 591143402 /nfs/dbraw/zinc/14/34/02/591143402.db2.gz MRNLMHKGGFNGNV-UHFFFAOYSA-N -1 3 239.279 0.402 20 0 BCADHM CCON=C([O-])Nc1cc2n(n1)CCN(C)C2 ZINC000880818124 591143404 /nfs/dbraw/zinc/14/34/04/591143404.db2.gz MRNLMHKGGFNGNV-UHFFFAOYSA-N -1 3 239.279 0.402 20 0 BCADHM Cn1cc(NC([O-])=NOCCC2CC2)nn1 ZINC000881211955 591173020 /nfs/dbraw/zinc/17/30/20/591173020.db2.gz LBFJOGCLAKCNRO-UHFFFAOYSA-N -1 3 225.252 0.668 20 0 BCADHM Cn1cc(NC(=O)[N-]OCCC2CC2)nn1 ZINC000881211955 591173024 /nfs/dbraw/zinc/17/30/24/591173024.db2.gz LBFJOGCLAKCNRO-UHFFFAOYSA-N -1 3 225.252 0.668 20 0 BCADHM Nc1ccc(C(=O)NC[C@@H]2CCCO2)c([O-])c1 ZINC000211601292 591207980 /nfs/dbraw/zinc/20/79/80/591207980.db2.gz PAOWMHYEKYCHPW-VIFPVBQESA-N -1 3 236.271 0.883 20 0 BCADHM C=C/C=C\CCNC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000881563947 591239039 /nfs/dbraw/zinc/23/90/39/591239039.db2.gz QMORDWXQCVSIBQ-PLNGDYQASA-N -1 3 249.270 0.348 20 0 BCADHM COc1nnc(NC(=O)c2cccc(F)n2)[n-]1 ZINC000129488337 591312261 /nfs/dbraw/zinc/31/22/61/591312261.db2.gz VYZBMPMRUJHPCY-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COc1nc(NC(=O)c2cccc(F)n2)n[n-]1 ZINC000129488337 591312264 /nfs/dbraw/zinc/31/22/64/591312264.db2.gz VYZBMPMRUJHPCY-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COc1n[n-]c(NC(=O)c2cccc(F)n2)n1 ZINC000129488337 591312267 /nfs/dbraw/zinc/31/22/67/591312267.db2.gz VYZBMPMRUJHPCY-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM C(Cc1nnn[n-]1)SCO[C@H]1CCCOC1 ZINC000882190483 591313263 /nfs/dbraw/zinc/31/32/63/591313263.db2.gz HAAHEBGLKWMMTA-QMMMGPOBSA-N -1 3 244.320 0.629 20 0 BCADHM C(Cc1nn[n-]n1)SCO[C@H]1CCCOC1 ZINC000882190483 591313267 /nfs/dbraw/zinc/31/32/67/591313267.db2.gz HAAHEBGLKWMMTA-QMMMGPOBSA-N -1 3 244.320 0.629 20 0 BCADHM CC1(C)OC[C@H](CSCCc2nnn[n-]2)O1 ZINC000882189057 591313289 /nfs/dbraw/zinc/31/32/89/591313289.db2.gz MNJGAJLMBNUBGX-SSDOTTSWSA-N -1 3 244.320 0.627 20 0 BCADHM CC1(C)OC[C@H](CSCCc2nn[n-]n2)O1 ZINC000882189057 591313294 /nfs/dbraw/zinc/31/32/94/591313294.db2.gz MNJGAJLMBNUBGX-SSDOTTSWSA-N -1 3 244.320 0.627 20 0 BCADHM FC(F)OCCSCCc1nn[n-]n1 ZINC000882190682 591313561 /nfs/dbraw/zinc/31/35/61/591313561.db2.gz LSOLAYSIVKBOJZ-UHFFFAOYSA-N -1 3 224.236 0.715 20 0 BCADHM COCCC(=O)CSCCc1nnn[n-]1 ZINC000882188371 591313467 /nfs/dbraw/zinc/31/34/67/591313467.db2.gz PRKDYZIQINAOPJ-UHFFFAOYSA-N -1 3 230.293 0.081 20 0 BCADHM COCCC(=O)CSCCc1nn[n-]n1 ZINC000882188371 591313470 /nfs/dbraw/zinc/31/34/70/591313470.db2.gz PRKDYZIQINAOPJ-UHFFFAOYSA-N -1 3 230.293 0.081 20 0 BCADHM FC(F)OCCSCCc1nnn[n-]1 ZINC000882190682 591313559 /nfs/dbraw/zinc/31/35/59/591313559.db2.gz LSOLAYSIVKBOJZ-UHFFFAOYSA-N -1 3 224.236 0.715 20 0 BCADHM C(Cc1nnn[n-]1)SCCC1OCCO1 ZINC000882187920 591313566 /nfs/dbraw/zinc/31/35/66/591313566.db2.gz FTFHJYPXNZWCAO-UHFFFAOYSA-N -1 3 230.293 0.238 20 0 BCADHM C(Cc1nn[n-]n1)SCCC1OCCO1 ZINC000882187920 591313568 /nfs/dbraw/zinc/31/35/68/591313568.db2.gz FTFHJYPXNZWCAO-UHFFFAOYSA-N -1 3 230.293 0.238 20 0 BCADHM CC[C@@H](SCCc1nnn[n-]1)C(C)=O ZINC000882190831 591314825 /nfs/dbraw/zinc/31/48/25/591314825.db2.gz PLSDZQMKKQNJDQ-SSDOTTSWSA-N -1 3 214.294 0.843 20 0 BCADHM CC[C@@H](SCCc1nn[n-]n1)C(C)=O ZINC000882190831 591314827 /nfs/dbraw/zinc/31/48/27/591314827.db2.gz PLSDZQMKKQNJDQ-SSDOTTSWSA-N -1 3 214.294 0.843 20 0 BCADHM Cc1cnc(C)c(Sc2nnc(CO)[n-]2)n1 ZINC000882241616 591320144 /nfs/dbraw/zinc/32/01/44/591320144.db2.gz HXGNSNYDIHCPFM-UHFFFAOYSA-N -1 3 237.288 0.855 20 0 BCADHM Cc1cnc(C)c(Sc2n[n-]c(CO)n2)n1 ZINC000882241616 591320145 /nfs/dbraw/zinc/32/01/45/591320145.db2.gz HXGNSNYDIHCPFM-UHFFFAOYSA-N -1 3 237.288 0.855 20 0 BCADHM COC(=O)c1ccc(Cn2c([O-])coc2=O)o1 ZINC000882272641 591323725 /nfs/dbraw/zinc/32/37/25/591323725.db2.gz YLYYSBZHZUWDLE-UHFFFAOYSA-N -1 3 239.183 0.545 20 0 BCADHM CC(C)(C)c1noc(Cn2c([O-])coc2=O)n1 ZINC000882274124 591323756 /nfs/dbraw/zinc/32/37/56/591323756.db2.gz YSBRHLVNRDWZDV-UHFFFAOYSA-N -1 3 239.231 0.846 20 0 BCADHM CC(C)c1nc(Cn2c([O-])coc2=O)no1 ZINC000882274788 591323987 /nfs/dbraw/zinc/32/39/87/591323987.db2.gz BJBZIJLYJVELEC-UHFFFAOYSA-N -1 3 225.204 0.672 20 0 BCADHM COc1ncccc1Cn1c([O-])coc1=O ZINC000882275130 591324009 /nfs/dbraw/zinc/32/40/09/591324009.db2.gz CBRQTMPOYIMMAD-UHFFFAOYSA-N -1 3 222.200 0.569 20 0 BCADHM COC(=O)c1ccoc1Cn1c([O-])coc1=O ZINC000882273309 591324141 /nfs/dbraw/zinc/32/41/41/591324141.db2.gz KUDXSCAHYWLNKW-UHFFFAOYSA-N -1 3 239.183 0.545 20 0 BCADHM Cc1noc(C)c1CCn1c([O-])coc1=O ZINC000882275300 591324157 /nfs/dbraw/zinc/32/41/57/591324157.db2.gz FVAVIKHJUAGVGE-UHFFFAOYSA-N -1 3 224.216 0.813 20 0 BCADHM CCCCc1noc(Cn2c([O-])coc2=O)n1 ZINC000882274121 591324223 /nfs/dbraw/zinc/32/42/23/591324223.db2.gz YOGBHLCVKUNGOR-UHFFFAOYSA-N -1 3 239.231 0.891 20 0 BCADHM CCc1cnc(Cn2c([O-])coc2=O)o1 ZINC000882275746 591324422 /nfs/dbraw/zinc/32/44/22/591324422.db2.gz RDXLMQTVEJWRKL-UHFFFAOYSA-N -1 3 210.189 0.716 20 0 BCADHM CC(C)COC(=O)Cn1c([O-])coc1=O ZINC000882275386 591324639 /nfs/dbraw/zinc/32/46/39/591324639.db2.gz IKBQRAKEOIXZNV-UHFFFAOYSA-N -1 3 215.205 0.164 20 0 BCADHM NC(=O)c1ccc(CCn2c([O-])coc2=O)cc1 ZINC000882276934 591325264 /nfs/dbraw/zinc/32/52/64/591325264.db2.gz QYXNFCVIINPDRV-UHFFFAOYSA-N -1 3 248.238 0.307 20 0 BCADHM COc1cc(Cn2c([O-])coc2=O)sn1 ZINC000882277097 591325399 /nfs/dbraw/zinc/32/53/99/591325399.db2.gz WCXDIOMZVPYMDZ-UHFFFAOYSA-N -1 3 228.229 0.631 20 0 BCADHM CC[C@@H](C)CON=c1cc(C(N)=O)[n-]cn1 ZINC000882392735 591342961 /nfs/dbraw/zinc/34/29/61/591342961.db2.gz RSJPRQCSMKXJGD-SSDOTTSWSA-N -1 3 224.264 0.965 20 0 BCADHM c1nc2c(c(SCCc3nnn[n-]3)n1)CCC2 ZINC000882473079 591354140 /nfs/dbraw/zinc/35/41/40/591354140.db2.gz HUZKVAKRNFGLHY-UHFFFAOYSA-N -1 3 248.315 0.813 20 0 BCADHM c1nc2c(c(SCCc3nn[n-]n3)n1)CCC2 ZINC000882473079 591354141 /nfs/dbraw/zinc/35/41/41/591354141.db2.gz HUZKVAKRNFGLHY-UHFFFAOYSA-N -1 3 248.315 0.813 20 0 BCADHM O=C(NC1CCC2(COC2)CC1)c1c[n-]nn1 ZINC000882756349 591430264 /nfs/dbraw/zinc/43/02/64/591430264.db2.gz YFZFHTPLHZGIBG-UHFFFAOYSA-N -1 3 236.275 0.494 20 0 BCADHM O=C(NC1CCC2(COC2)CC1)c1cnn[n-]1 ZINC000882756349 591430269 /nfs/dbraw/zinc/43/02/69/591430269.db2.gz YFZFHTPLHZGIBG-UHFFFAOYSA-N -1 3 236.275 0.494 20 0 BCADHM O=C(NC1CCC2(COC2)CC1)c1cn[n-]n1 ZINC000882756349 591430272 /nfs/dbraw/zinc/43/02/72/591430272.db2.gz YFZFHTPLHZGIBG-UHFFFAOYSA-N -1 3 236.275 0.494 20 0 BCADHM Oc1[n-]c(N2CC[C@H](CF)C2)nc2nncc1-2 ZINC000882842562 591453816 /nfs/dbraw/zinc/45/38/16/591453816.db2.gz ZMHDKYQBKCHXFC-ZCFIWIBFSA-N -1 3 237.238 0.854 20 0 BCADHM O=S(=O)([N-]CCC1CCC1)c1c[nH]cn1 ZINC000130363226 591461889 /nfs/dbraw/zinc/46/18/89/591461889.db2.gz YDPRDVRPKCXVOA-UHFFFAOYSA-N -1 3 229.305 0.878 20 0 BCADHM CC(C)(C)CC(=O)[N-]OCCN1CCOC1=O ZINC000882992883 591497719 /nfs/dbraw/zinc/49/77/19/591497719.db2.gz VXEYXHFZUJXSIR-UHFFFAOYSA-N -1 3 244.291 0.923 20 0 BCADHM CC[C@H](CCO)Nc1ncccc1-c1nnn[n-]1 ZINC000095162731 598973553 /nfs/dbraw/zinc/97/35/53/598973553.db2.gz LKRUCGJMASCHLW-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@H](CCO)Nc1ncccc1-c1nn[n-]n1 ZINC000095162731 598973555 /nfs/dbraw/zinc/97/35/55/598973555.db2.gz LKRUCGJMASCHLW-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM COc1nn(C)cc1C(=O)[N-]OC(C)C ZINC000883971037 591786340 /nfs/dbraw/zinc/78/63/40/591786340.db2.gz NJYWFZXWLUTMET-UHFFFAOYSA-N -1 3 213.237 0.499 20 0 BCADHM COc1nn(C)cc1C(=O)[N-]OC/C=C/Cl ZINC000883970620 591786700 /nfs/dbraw/zinc/78/67/00/591786700.db2.gz YMLHNNDEIIPYMA-ONEGZZNKSA-N -1 3 245.666 0.843 20 0 BCADHM COC(=O)[C@@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC000800208521 591839458 /nfs/dbraw/zinc/83/94/58/591839458.db2.gz MBIVYOQGWFJDQW-ZCFIWIBFSA-N -1 3 249.226 0.676 20 0 BCADHM COC(=O)[C@@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC000800208521 591839460 /nfs/dbraw/zinc/83/94/60/591839460.db2.gz MBIVYOQGWFJDQW-ZCFIWIBFSA-N -1 3 249.226 0.676 20 0 BCADHM COC(=O)[C@@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC000800208521 591839462 /nfs/dbraw/zinc/83/94/62/591839462.db2.gz MBIVYOQGWFJDQW-ZCFIWIBFSA-N -1 3 249.226 0.676 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@]2(C)CCNC2=O)c1 ZINC000889042912 591848917 /nfs/dbraw/zinc/84/89/17/591848917.db2.gz RLKIRFCECKULCS-CYBMUJFWSA-N -1 3 248.282 0.709 20 0 BCADHM COCCO[N-]C(=O)C[C@@H](C)COC ZINC000133767759 591856210 /nfs/dbraw/zinc/85/62/10/591856210.db2.gz NEQQMNJAGFOKCJ-MRVPVSSYSA-N -1 3 205.254 0.353 20 0 BCADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(N)=O)C1 ZINC000135029840 591974507 /nfs/dbraw/zinc/97/45/07/591974507.db2.gz MUTZAHQBTQYVGV-MRVPVSSYSA-N -1 3 228.292 0.295 20 0 BCADHM C=C/C=C\CCOC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000884567637 591983164 /nfs/dbraw/zinc/98/31/64/591983164.db2.gz OCFRATAOXBVDNZ-ZBJFTSOASA-N -1 3 245.300 0.354 20 0 BCADHM C=C/C=C/CCOC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000884567635 591983545 /nfs/dbraw/zinc/98/35/45/591983545.db2.gz OCFRATAOXBVDNZ-NWALNABHSA-N -1 3 245.300 0.354 20 0 BCADHM NC(=O)CON=C([O-])Nc1cccc(F)c1 ZINC000135665578 592030366 /nfs/dbraw/zinc/03/03/66/592030366.db2.gz RIJBCUXUXZHGEK-UHFFFAOYSA-N -1 3 227.195 0.364 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1cccc(F)c1 ZINC000135665578 592030369 /nfs/dbraw/zinc/03/03/69/592030369.db2.gz RIJBCUXUXZHGEK-UHFFFAOYSA-N -1 3 227.195 0.364 20 0 BCADHM CN1CC[C@H]([N-]S(=O)(=O)c2ccns2)C1 ZINC000884972656 592030978 /nfs/dbraw/zinc/03/09/78/592030978.db2.gz SCOFBGARMOSODD-ZETCQYMHSA-N -1 3 247.345 0.126 20 0 BCADHM NC(=O)CON=C([O-])Nc1ccc(F)cc1 ZINC000135739073 592043351 /nfs/dbraw/zinc/04/33/51/592043351.db2.gz NWXVWXITJSOBTD-UHFFFAOYSA-N -1 3 227.195 0.364 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccc(F)cc1 ZINC000135739073 592043354 /nfs/dbraw/zinc/04/33/54/592043354.db2.gz NWXVWXITJSOBTD-UHFFFAOYSA-N -1 3 227.195 0.364 20 0 BCADHM C[C@@H](CF)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000885414319 592076617 /nfs/dbraw/zinc/07/66/17/592076617.db2.gz WEEQRXQDPRJGRW-LURJTMIESA-N -1 3 221.257 0.056 20 0 BCADHM CCn1cc(S(=O)(=O)[N-][C@@H](C)CF)nc1C ZINC000885410876 592076434 /nfs/dbraw/zinc/07/64/34/592076434.db2.gz YPYBFKVOJZSCGR-ZETCQYMHSA-N -1 3 249.311 0.848 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)C[C@H]1C[C@@]12CCOC2 ZINC000886251611 592187312 /nfs/dbraw/zinc/18/73/12/592187312.db2.gz GWMMYLDQFRBUOR-LDYMZIIASA-N -1 3 239.275 0.634 20 0 BCADHM C[C@@]1(C(=O)NCc2cncc([O-])c2)CCC(=O)N1 ZINC000886271249 592192105 /nfs/dbraw/zinc/19/21/05/592192105.db2.gz BYLUSOJTDPNYOB-LBPRGKRZSA-N -1 3 249.270 0.072 20 0 BCADHM COC1CC(C(=O)NCc2cncc([O-])c2)C1 ZINC000886272893 592193992 /nfs/dbraw/zinc/19/39/92/592193992.db2.gz GECVXDYMBHQWTH-UHFFFAOYSA-N -1 3 236.271 0.828 20 0 BCADHM COC/C(C)=C\C(=O)NCc1cncc([O-])c1 ZINC000886272902 592194010 /nfs/dbraw/zinc/19/40/10/592194010.db2.gz GSSZIBREMJBFQB-OQFOIZHKSA-N -1 3 236.271 0.996 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@@H]1CCCCO1 ZINC000886277914 592196739 /nfs/dbraw/zinc/19/67/39/592196739.db2.gz GYLONCXNPIEFTP-NSHDSACASA-N -1 3 236.271 0.973 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H]1CCOC1 ZINC000886280101 592198031 /nfs/dbraw/zinc/19/80/31/592198031.db2.gz VCWVDVZIEYSKBH-VIFPVBQESA-N -1 3 222.244 0.440 20 0 BCADHM O=C(C[C@H]1CCC(=O)N1)NCc1cncc([O-])c1 ZINC000886279824 592198107 /nfs/dbraw/zinc/19/81/07/592198107.db2.gz LQDWMHHFBQIGKM-SECBINFHSA-N -1 3 249.270 0.072 20 0 BCADHM CCOCCC(=O)NCc1cncc([O-])c1 ZINC000886279805 592198286 /nfs/dbraw/zinc/19/82/86/592198286.db2.gz LCRXQNQAXHAOBE-UHFFFAOYSA-N -1 3 224.260 0.830 20 0 BCADHM O=C(NCc1cncc([O-])c1)C(F)F ZINC000886283284 592199475 /nfs/dbraw/zinc/19/94/75/592199475.db2.gz OBWQUJKDRCLUGG-UHFFFAOYSA-N -1 3 202.160 0.669 20 0 BCADHM CCCS(=O)(=O)[N-]c1cncn(CC)c1=O ZINC000886415447 592223974 /nfs/dbraw/zinc/22/39/74/592223974.db2.gz FRSVCHZQRSHAFR-UHFFFAOYSA-N -1 3 245.304 0.415 20 0 BCADHM CN(CCO)CCNc1ncccc1C(=O)[O-] ZINC000886921092 592395637 /nfs/dbraw/zinc/39/56/37/592395637.db2.gz XIZKTLVQOOKBBU-UHFFFAOYSA-N -1 3 239.275 0.116 20 0 BCADHM O=C(NC1([C@H]2CCCCO2)CC1)c1c[n-]nn1 ZINC000887098380 592439749 /nfs/dbraw/zinc/43/97/49/592439749.db2.gz RHDVHHMTNUBYIP-SECBINFHSA-N -1 3 236.275 0.636 20 0 BCADHM O=C(NC1([C@H]2CCCCO2)CC1)c1cnn[n-]1 ZINC000887098380 592439751 /nfs/dbraw/zinc/43/97/51/592439751.db2.gz RHDVHHMTNUBYIP-SECBINFHSA-N -1 3 236.275 0.636 20 0 BCADHM O=C(NC1([C@H]2CCCCO2)CC1)c1cn[n-]n1 ZINC000887098380 592439755 /nfs/dbraw/zinc/43/97/55/592439755.db2.gz RHDVHHMTNUBYIP-SECBINFHSA-N -1 3 236.275 0.636 20 0 BCADHM C[C@@H]1CCC[C@@H](C)N1CC(=O)NCCC(=O)[O-] ZINC000140325148 592466265 /nfs/dbraw/zinc/46/62/65/592466265.db2.gz XZORSDOULUFXRP-NXEZZACHSA-N -1 3 242.319 0.840 20 0 BCADHM CCN(CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000300670845 592517329 /nfs/dbraw/zinc/51/73/29/592517329.db2.gz XOJZCXODFABTMC-VHSXEESVSA-N -1 3 240.303 0.308 20 0 BCADHM CC(C)C[C@H](NC(=O)[C@@H](N)CC1CC1)C(=O)[O-] ZINC000302704166 592552168 /nfs/dbraw/zinc/55/21/68/592552168.db2.gz WMIPXGSIQMDYBH-UWVGGRQHSA-N -1 3 242.319 0.729 20 0 BCADHM CO[C@@H]1CC[C@H]1N(C)C(=O)c1cc(=O)[n-]cn1 ZINC000889321866 592595898 /nfs/dbraw/zinc/59/58/98/592595898.db2.gz PSPQINUEBWXJHL-RKDXNWHRSA-N -1 3 237.259 0.432 20 0 BCADHM CCc1nc(C(=O)[N-]c2nnn(C)n2)c(C)o1 ZINC000889628480 592634391 /nfs/dbraw/zinc/63/43/91/592634391.db2.gz LXFJVWHNKLDXGI-UHFFFAOYSA-N -1 3 236.235 0.321 20 0 BCADHM Cc1cc(C(=O)[N-]c2nnn(C)n2)ns1 ZINC000889628345 592634575 /nfs/dbraw/zinc/63/45/75/592634575.db2.gz KAZLOHLIZWUVOL-UHFFFAOYSA-N -1 3 224.249 0.227 20 0 BCADHM CCc1ncsc1C(=O)[N-]c1nnn(C)n1 ZINC000889629202 592635277 /nfs/dbraw/zinc/63/52/77/592635277.db2.gz STXWSERJOSWAET-UHFFFAOYSA-N -1 3 238.276 0.481 20 0 BCADHM CCc1ocnc1C(=O)[N-]c1nnn(C)n1 ZINC000889631431 592635571 /nfs/dbraw/zinc/63/55/71/592635571.db2.gz JKACKXJHAKVPJD-UHFFFAOYSA-N -1 3 222.208 0.013 20 0 BCADHM O=C(NC1CC(CCO)C1)c1cc(=O)[n-]cn1 ZINC000889990622 592668935 /nfs/dbraw/zinc/66/89/35/592668935.db2.gz LLCCEJIBAPGQNA-UHFFFAOYSA-N -1 3 237.259 0.073 20 0 BCADHM Cc1cc(N2CC[C@@H](C(=O)[O-])C2)nc(N)n1 ZINC000687736838 596901736 /nfs/dbraw/zinc/90/17/36/596901736.db2.gz PXIKXZQDEPDLIH-SSDOTTSWSA-N -1 3 222.248 0.278 20 0 BCADHM CCN(C)C(=O)CN1CCC(C(=O)[O-])CC1 ZINC000035299966 596918135 /nfs/dbraw/zinc/91/81/35/596918135.db2.gz NKDWAMHQDUDSDY-UHFFFAOYSA-N -1 3 228.292 0.261 20 0 BCADHM C/C=C(/C)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000309688804 596920977 /nfs/dbraw/zinc/92/09/77/596920977.db2.gz OXSNLOXHCGGWOP-UITAMQMPSA-N -1 3 228.292 0.427 20 0 BCADHM CC(C)N1CC[C@@H](N(C)CCC(=O)[O-])C1=O ZINC000694726095 597000417 /nfs/dbraw/zinc/00/04/17/597000417.db2.gz FUUVSFMIHOKKEH-SECBINFHSA-N -1 3 228.292 0.402 20 0 BCADHM C[C@H](CC(=O)[O-])N[C@H](C(N)=O)c1ccccc1 ZINC000738890637 597001690 /nfs/dbraw/zinc/00/16/90/597001690.db2.gz IVXKRAYMWVMNDB-KCJUWKMLSA-N -1 3 236.271 0.666 20 0 BCADHM CC(C)CN1CCN([C@@H](C)C(=O)[O-])CC1 ZINC000051659427 597055869 /nfs/dbraw/zinc/05/58/69/597055869.db2.gz QVTQQYUZFGPUJM-JTQLQIEISA-N -1 3 214.309 0.733 20 0 BCADHM C[C@H](C(=O)[O-])N1CCN(Cc2ccco2)CC1 ZINC000051659707 597056255 /nfs/dbraw/zinc/05/62/55/597056255.db2.gz KUOIJCOFCJRPCS-SNVBAGLBSA-N -1 3 238.287 0.870 20 0 BCADHM C[C@@H](C(N)=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000054298929 597076347 /nfs/dbraw/zinc/07/63/47/597076347.db2.gz FPRHWQWXEGABEY-JGVFFNPUSA-N -1 3 214.265 0.047 20 0 BCADHM Cn1cc(CNCCCCCC(=O)[O-])nn1 ZINC000309764437 597137100 /nfs/dbraw/zinc/13/71/00/597137100.db2.gz NGFNOTOBZMJFQH-UHFFFAOYSA-N -1 3 226.280 0.550 20 0 BCADHM CN1CCC[C@H](NC(=O)NCCCC(=O)[O-])C1 ZINC000040716310 597286320 /nfs/dbraw/zinc/28/63/20/597286320.db2.gz FCKCWBCIJPWBAN-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM Cc1cc(NCCCC(=O)[O-])nc(N)n1 ZINC000308809354 597312110 /nfs/dbraw/zinc/31/21/10/597312110.db2.gz BTEACEBTFDLZPS-UHFFFAOYSA-N -1 3 210.237 0.644 20 0 BCADHM Cn1cc(N2CCN(CCC(=O)[O-])CC2)cn1 ZINC000819067424 597384904 /nfs/dbraw/zinc/38/49/04/597384904.db2.gz LRLVBXGTTSNRTF-UHFFFAOYSA-N -1 3 238.291 0.017 20 0 BCADHM CC[C@H](C)NC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000062133534 597526885 /nfs/dbraw/zinc/52/68/85/597526885.db2.gz ALANHEVQHCBAEZ-GUBZILKMSA-N -1 3 242.319 0.696 20 0 BCADHM CN(CC(=O)NCC(=O)[O-])C1CCCC1 ZINC000390258885 597767043 /nfs/dbraw/zinc/76/70/43/597767043.db2.gz NDPXCMMVUAUOOB-UHFFFAOYSA-N -1 3 214.265 0.062 20 0 BCADHM CC(C)NC(=O)CN(C)CCCCC(=O)[O-] ZINC000042608387 597767387 /nfs/dbraw/zinc/76/73/87/597767387.db2.gz QVHZNHXHBRIQSJ-UHFFFAOYSA-N -1 3 230.308 0.698 20 0 BCADHM CN(CCCCC(=O)[O-])[C@@H]1CCNC1=O ZINC000719389269 597801988 /nfs/dbraw/zinc/80/19/88/597801988.db2.gz OHQRSZLLKUNYNP-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM O=C([O-])CCCCN1CCC2(C1)OCCO2 ZINC000396582392 597794906 /nfs/dbraw/zinc/79/49/06/597794906.db2.gz IRZKCLHELACTHO-UHFFFAOYSA-N -1 3 229.276 0.690 20 0 BCADHM O=C([O-])CCCN1CCOC[C@@H]1C1CC1 ZINC000389996435 597803510 /nfs/dbraw/zinc/80/35/10/597803510.db2.gz QOPIMFAXOKOZRZ-SNVBAGLBSA-N -1 3 213.277 0.962 20 0 BCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(N)=O ZINC000095210878 599282519 /nfs/dbraw/zinc/28/25/19/599282519.db2.gz VDQFFMKNWVIJCE-UHFFFAOYSA-N -1 3 247.258 0.348 20 0 BCADHM CC[C@H](C(=O)N(CC(=O)[O-])C(C)C)N(C)C ZINC000820261221 598071427 /nfs/dbraw/zinc/07/14/27/598071427.db2.gz IAGRAGCXDZKJLG-SECBINFHSA-N -1 3 230.308 0.648 20 0 BCADHM CCN(CC)CC(=O)N(CC(=O)[O-])C(C)C ZINC000194951154 598072773 /nfs/dbraw/zinc/07/27/73/598072773.db2.gz FSIAAYULNDIJJF-UHFFFAOYSA-N -1 3 230.308 0.650 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)CC1(CS(C)(=O)=O)CC1 ZINC000696770693 598090907 /nfs/dbraw/zinc/09/09/07/598090907.db2.gz FUFUUFALVDXZQG-QMMMGPOBSA-N -1 3 249.332 0.216 20 0 BCADHM O=C([O-])c1cccc(CN[C@@H]2CCCNC2=O)c1 ZINC000236486780 598192582 /nfs/dbraw/zinc/19/25/82/598192582.db2.gz PRSCFGZYGOTFAP-LLVKDONJSA-N -1 3 248.282 0.753 20 0 BCADHM CO[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000095203075 598570437 /nfs/dbraw/zinc/57/04/37/598570437.db2.gz PYSLCKNNZUDAAN-ZETCQYMHSA-N -1 3 247.258 0.840 20 0 BCADHM CO[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000095203075 598570439 /nfs/dbraw/zinc/57/04/39/598570439.db2.gz PYSLCKNNZUDAAN-ZETCQYMHSA-N -1 3 247.258 0.840 20 0 BCADHM O[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC000095143366 598672672 /nfs/dbraw/zinc/67/26/72/598672672.db2.gz ITJQVVDADVZMKW-VIFPVBQESA-N -1 3 246.274 0.445 20 0 BCADHM O[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC000095143366 598672674 /nfs/dbraw/zinc/67/26/74/598672674.db2.gz ITJQVVDADVZMKW-VIFPVBQESA-N -1 3 246.274 0.445 20 0 BCADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095252931 598804422 /nfs/dbraw/zinc/80/44/22/598804422.db2.gz KEPDHHBGGDTMKR-POYBYMJQSA-N -1 3 244.258 0.856 20 0 BCADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095252931 598804424 /nfs/dbraw/zinc/80/44/24/598804424.db2.gz KEPDHHBGGDTMKR-POYBYMJQSA-N -1 3 244.258 0.856 20 0 BCADHM CC(C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735685477 598805758 /nfs/dbraw/zinc/80/57/58/598805758.db2.gz WGFJEWGGJNSCHP-UHFFFAOYSA-N -1 3 232.247 0.856 20 0 BCADHM CC(C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735685477 598805760 /nfs/dbraw/zinc/80/57/60/598805760.db2.gz WGFJEWGGJNSCHP-UHFFFAOYSA-N -1 3 232.247 0.856 20 0 BCADHM OC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000095159516 598816130 /nfs/dbraw/zinc/81/61/30/598816130.db2.gz YEAVAFPVZXIQFL-LLVKDONJSA-N -1 3 245.286 0.828 20 0 BCADHM CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000095302113 599326564 /nfs/dbraw/zinc/32/65/64/599326564.db2.gz DHLNLLWKGPXEJA-UHFFFAOYSA-N -1 3 235.207 0.602 20 0 BCADHM CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000095302113 599326567 /nfs/dbraw/zinc/32/65/67/599326567.db2.gz DHLNLLWKGPXEJA-UHFFFAOYSA-N -1 3 235.207 0.602 20 0 BCADHM C=CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000095128910 599332191 /nfs/dbraw/zinc/33/21/91/599332191.db2.gz CORZYYGTUPOYDL-UHFFFAOYSA-N -1 3 247.218 0.768 20 0 BCADHM C=CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000095128910 599332193 /nfs/dbraw/zinc/33/21/93/599332193.db2.gz CORZYYGTUPOYDL-UHFFFAOYSA-N -1 3 247.218 0.768 20 0 BCADHM CN1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000082246897 600037141 /nfs/dbraw/zinc/03/71/41/600037141.db2.gz PEMSWNYBIROVBS-VHSXEESVSA-N -1 3 240.303 0.404 20 0 BCADHM NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[O-])CC1 ZINC000739158593 600060385 /nfs/dbraw/zinc/06/03/85/600060385.db2.gz DBMMEKVYOAZBDG-VIFPVBQESA-N -1 3 241.291 0.079 20 0 BCADHM CCCN(C)CC(=O)NCCCCC(=O)[O-] ZINC000381119714 600101314 /nfs/dbraw/zinc/10/13/14/600101314.db2.gz IGXCZUIOAAHVNL-UHFFFAOYSA-N -1 3 230.308 0.699 20 0 BCADHM CC(C)NC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000041805852 600149816 /nfs/dbraw/zinc/14/98/16/600149816.db2.gz PKWXKHNLAXFOAY-UHFFFAOYSA-N -1 3 242.319 0.888 20 0 BCADHM CCCN(CCN(C)C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000045695040 600162465 /nfs/dbraw/zinc/16/24/65/600162465.db2.gz DCZMCCICBJKCEA-VHSXEESVSA-N -1 3 242.319 0.507 20 0 BCADHM CCCN(CCN(C)C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000045695036 600162544 /nfs/dbraw/zinc/16/25/44/600162544.db2.gz DCZMCCICBJKCEA-UWVGGRQHSA-N -1 3 242.319 0.507 20 0 BCADHM CCNC(=O)CN(CCC(=O)[O-])C(C)C ZINC000037474318 600219837 /nfs/dbraw/zinc/21/98/37/600219837.db2.gz RATORJLMHJTQIU-UHFFFAOYSA-N -1 3 216.281 0.308 20 0 BCADHM O=C([O-])c1ccc(CN(CCO)CCCO)o1 ZINC000385242549 600317033 /nfs/dbraw/zinc/31/70/33/600317033.db2.gz FGHXSLFNPNOJOB-UHFFFAOYSA-N -1 3 243.259 0.155 20 0 BCADHM CC(C)CNC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000042706198 600372172 /nfs/dbraw/zinc/37/21/72/600372172.db2.gz AGPQTEHEXBFSEH-NXEZZACHSA-N -1 3 244.335 0.800 20 0 BCADHM CCCCNC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000042706269 600374136 /nfs/dbraw/zinc/37/41/36/600374136.db2.gz BSIVXYGSBSVCOA-ZJUUUORDSA-N -1 3 244.335 0.944 20 0 BCADHM Cc1ncc(CN2CCC[C@@H]2C(=O)[O-])cn1 ZINC000738883296 600441531 /nfs/dbraw/zinc/44/15/31/600441531.db2.gz KEWWGFJTFAEARB-SNVBAGLBSA-N -1 3 221.260 0.834 20 0 BCADHM C[C@H]1COC[C@H](C)N1CCCC(=O)[O-] ZINC000308544845 600718255 /nfs/dbraw/zinc/71/82/55/600718255.db2.gz VNZPAGRABZPWBF-IUCAKERBSA-N -1 3 201.266 0.960 20 0 BCADHM C[C@](O)(CN1CCO[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000227685334 600762219 /nfs/dbraw/zinc/76/22/19/600762219.db2.gz DFMBNLGDZCFCKO-UMNHJUIQSA-N -1 3 243.303 0.465 20 0 BCADHM C[C@H]1CC[C@H](C)N1CC(=O)NCC(=O)[O-] ZINC000308821699 600756908 /nfs/dbraw/zinc/75/69/08/600756908.db2.gz CGGGIDIXVDMHKT-YUMQZZPRSA-N -1 3 214.265 0.060 20 0 BCADHM CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1)C1CC1 ZINC000049306334 600846219 /nfs/dbraw/zinc/84/62/19/600846219.db2.gz CQEDMWYZGFGARW-VIFPVBQESA-N -1 3 240.303 0.404 20 0 BCADHM C[C@]1(O)CCN(Cc2occc2C(=O)[O-])C1 ZINC000235762132 601182578 /nfs/dbraw/zinc/18/25/78/601182578.db2.gz LVDQLTWDRFBJLW-NSHDSACASA-N -1 3 225.244 0.935 20 0 BCADHM CN(CC(=O)[O-])Cc1ccc([S@](C)=O)cc1 ZINC000390347167 601375822 /nfs/dbraw/zinc/37/58/22/601375822.db2.gz OISRFFRLJMUZRL-INIZCTEOSA-N -1 3 241.312 0.940 20 0 BCADHM Cc1cnc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000693797061 601504896 /nfs/dbraw/zinc/50/48/96/601504896.db2.gz RFXHQYLWCHGLNE-GZMMTYOYSA-N -1 3 235.287 0.938 20 0 BCADHM CC(C)N(C)CC(=O)NCCCC(=O)[O-] ZINC000389889284 601602142 /nfs/dbraw/zinc/60/21/42/601602142.db2.gz USLGBBWSJOFUGF-UHFFFAOYSA-N -1 3 216.281 0.308 20 0 BCADHM C[C@H](C(N)=O)N1CCC(CCC(=O)[O-])CC1 ZINC000050926440 601838990 /nfs/dbraw/zinc/83/89/90/601838990.db2.gz GRAMYXXSAZSOEK-MRVPVSSYSA-N -1 3 228.292 0.437 20 0 BCADHM C/C(=C\CN1CCSC[C@@H]1CCO)C(=O)[O-] ZINC000689293442 601875138 /nfs/dbraw/zinc/87/51/38/601875138.db2.gz FEPRRVSWOAIBHW-HDQHCQLZSA-N -1 3 245.344 0.817 20 0 BCADHM CCCNC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000062936306 601926206 /nfs/dbraw/zinc/92/62/06/601926206.db2.gz AQCWXOUVNYFQTH-LLVKDONJSA-N -1 3 228.292 0.309 20 0 BCADHM C[C@@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738602185 602043313 /nfs/dbraw/zinc/04/33/13/602043313.db2.gz MMHDOXADZYTNAS-IUCAKERBSA-N -1 3 243.307 0.053 20 0 BCADHM CCN(CCNCc1cncn1C)C(=O)[O-] ZINC000739434120 602056110 /nfs/dbraw/zinc/05/61/10/602056110.db2.gz KQROHEDIUFMOLL-UHFFFAOYSA-N -1 3 226.280 0.510 20 0 BCADHM Cn1cnnc1CN[C@H](C(=O)[O-])C(C)(C)C ZINC000395809546 602225757 /nfs/dbraw/zinc/22/57/57/602225757.db2.gz KIQPHLFPHZNUQM-MRVPVSSYSA-N -1 3 226.280 0.404 20 0 BCADHM CCN(CCNCc1c[nH]nc1C)C(=O)[O-] ZINC000739433866 602311764 /nfs/dbraw/zinc/31/17/64/602311764.db2.gz HRZJXQAPKXYMTK-UHFFFAOYSA-N -1 3 226.280 0.808 20 0 BCADHM Cn1cncc1CNC(C)(C)CNC(=O)[O-] ZINC000740295598 602318420 /nfs/dbraw/zinc/31/84/20/602318420.db2.gz STBYNOWQXCQSSV-UHFFFAOYSA-N -1 3 226.280 0.556 20 0 BCADHM CCCN(C)CC(=O)NCC[C@@H](C)NC(=O)[O-] ZINC000739350763 602458248 /nfs/dbraw/zinc/45/82/48/602458248.db2.gz OFHWKXIXKDXWJP-SECBINFHSA-N -1 3 245.323 0.491 20 0 BCADHM Cn1ccnc1CNCCCNC(=O)[O-] ZINC000740294919 602647167 /nfs/dbraw/zinc/64/71/67/602647167.db2.gz IVWMPYNEYMNEPQ-UHFFFAOYSA-N -1 3 212.253 0.167 20 0 BCADHM Cc1ccc([O-])c(C[NH2+]CCCNC(=O)[O-])n1 ZINC000740142527 602647400 /nfs/dbraw/zinc/64/74/00/602647400.db2.gz AOPPZKUKMZEXGO-UHFFFAOYSA-N -1 3 239.275 0.843 20 0 BCADHM CCN(CCCNCc1cc[nH]n1)C(=O)[O-] ZINC000739421995 602649569 /nfs/dbraw/zinc/64/95/69/602649569.db2.gz SJBAILGGQSTBLU-UHFFFAOYSA-N -1 3 226.280 0.889 20 0 BCADHM C[C@@H](CCNCc1nccn1C)NC(=O)[O-] ZINC000738907384 602650071 /nfs/dbraw/zinc/65/00/71/602650071.db2.gz SHUFBBWBSDLKHJ-QMMMGPOBSA-N -1 3 226.280 0.556 20 0 BCADHM C[C@@H]1CN(CC(C)(C)O)C[C@@H](C)N1C(=O)[O-] ZINC000739177144 602830774 /nfs/dbraw/zinc/83/07/74/602830774.db2.gz GGBZGVZVNBHSPF-RKDXNWHRSA-N -1 3 230.308 0.830 20 0 BCADHM Cc1n[nH]c(C)c1CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000740202606 602878551 /nfs/dbraw/zinc/87/85/51/602878551.db2.gz GPWLILFYIRMCMO-SECBINFHSA-N -1 3 238.291 0.868 20 0 BCADHM O=C([O-])N1CC[C@H](NCc2cncnc2)C1 ZINC000740505889 602878595 /nfs/dbraw/zinc/87/85/95/602878595.db2.gz FYBWFMBPOKRAQR-VIFPVBQESA-N -1 3 222.248 0.319 20 0 BCADHM CCCN(C)CC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000739343707 603028393 /nfs/dbraw/zinc/02/83/93/603028393.db2.gz FLZXYCFOBRNBGS-SECBINFHSA-N -1 3 245.323 0.443 20 0 BCADHM O=C([O-])NCCN1CCC2(CC1)OCCO2 ZINC000740658202 603082627 /nfs/dbraw/zinc/08/26/27/603082627.db2.gz KVOLKBSUOXWAKS-UHFFFAOYSA-N -1 3 230.264 0.093 20 0 BCADHM Cc1n[nH]cc1CN[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740209432 603245782 /nfs/dbraw/zinc/24/57/82/603245782.db2.gz SRQJXTDHKYXMQR-SNVBAGLBSA-N -1 3 238.291 0.950 20 0 BCADHM O=C(NC1CCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826430256 607681649 /nfs/dbraw/zinc/68/16/49/607681649.db2.gz XSFBVQGQTAAAOD-UHFFFAOYSA-N -1 3 246.274 0.867 20 0 BCADHM O=C(NC1CCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826430256 607681650 /nfs/dbraw/zinc/68/16/50/607681650.db2.gz XSFBVQGQTAAAOD-UHFFFAOYSA-N -1 3 246.274 0.867 20 0 BCADHM O=C([O-])c1ccc(CN[C@H]2CCOC2)o1 ZINC000087784953 604331672 /nfs/dbraw/zinc/33/16/72/604331672.db2.gz VJLIKXFMQCMCCU-ZETCQYMHSA-N -1 3 211.217 0.856 20 0 BCADHM O=C([O-])N[C@@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000740595328 604370310 /nfs/dbraw/zinc/37/03/10/604370310.db2.gz TZLMBCRXBFAOIB-BDAKNGLRSA-N -1 3 214.265 0.507 20 0 BCADHM O=C([O-])N[C@@H]1CCN(C[C@H]2CCCCO2)C1 ZINC000740592939 604373259 /nfs/dbraw/zinc/37/32/59/604373259.db2.gz CZOCEZYRGXIUIH-NXEZZACHSA-N -1 3 228.292 0.897 20 0 BCADHM Cc1c(CN(CC(=O)[O-])C2CC2)cnn1C ZINC000086553280 604484407 /nfs/dbraw/zinc/48/44/07/604484407.db2.gz FOKOMGOKGLSFAB-UHFFFAOYSA-N -1 3 223.276 0.778 20 0 BCADHM CC(C)N(CC(=O)[O-])Cc1ccnn1C ZINC000083405458 604558782 /nfs/dbraw/zinc/55/87/82/604558782.db2.gz LPAXWTRANSKQHL-UHFFFAOYSA-N -1 3 211.265 0.715 20 0 BCADHM C/C(=C/CN1CCN(C)[C@H](C)C1)C(=O)[O-] ZINC000084003058 604933670 /nfs/dbraw/zinc/93/36/70/604933670.db2.gz WXJGVWOGMHTNJW-ZUYFITGHSA-N -1 3 212.293 0.653 20 0 BCADHM C[C@H]1C[C@H](O)CN1Cc1ccoc1C(=O)[O-] ZINC000385017344 604936214 /nfs/dbraw/zinc/93/62/14/604936214.db2.gz TXGZMDNNVMITEB-CBAPKCEASA-N -1 3 225.244 0.933 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1Cc1ccoc1C(=O)[O-] ZINC000385017350 604935923 /nfs/dbraw/zinc/93/59/23/604935923.db2.gz TXGZMDNNVMITEB-VXNVDRBHSA-N -1 3 225.244 0.933 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1Cc1occc1C(=O)[O-] ZINC000385017617 604936045 /nfs/dbraw/zinc/93/60/45/604936045.db2.gz UDTOELMIBRFAQT-HTQZYQBOSA-N -1 3 225.244 0.933 20 0 BCADHM C[C@H]1C[C@@H](O)CN1Cc1ccoc1C(=O)[O-] ZINC000385017345 604936187 /nfs/dbraw/zinc/93/61/87/604936187.db2.gz TXGZMDNNVMITEB-IONNQARKSA-N -1 3 225.244 0.933 20 0 BCADHM CC(C)(C)NC(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000042163605 604968268 /nfs/dbraw/zinc/96/82/68/604968268.db2.gz RAVRHXDIBRMJPS-VIFPVBQESA-N -1 3 242.319 0.840 20 0 BCADHM CS(=O)(=O)CCCN1CCC[C@@H]1CC(=O)[O-] ZINC000063016101 604964033 /nfs/dbraw/zinc/96/40/33/604964033.db2.gz UBRFOSDCVRGNBO-SECBINFHSA-N -1 3 249.332 0.360 20 0 BCADHM CC(C)CNC(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000042163600 604966272 /nfs/dbraw/zinc/96/62/72/604966272.db2.gz HVKSAUTVPQCBMN-SNVBAGLBSA-N -1 3 242.319 0.698 20 0 BCADHM CC(C)[C@H](C)NCc1cn(CC(=O)[O-])nn1 ZINC000319583541 605004677 /nfs/dbraw/zinc/00/46/77/605004677.db2.gz SMWCRZWXMWRTGZ-QMMMGPOBSA-N -1 3 226.280 0.497 20 0 BCADHM Cn1cncc1CN[C@H]1CCCN(C(=O)[O-])C1 ZINC000739059317 605631085 /nfs/dbraw/zinc/63/10/85/605631085.db2.gz YPKLPPYYXSQWKU-VIFPVBQESA-N -1 3 238.291 0.652 20 0 BCADHM Cc1cnn(CCN2CC[C@H](NC(=O)[O-])C2)c1 ZINC000740201167 605927127 /nfs/dbraw/zinc/92/71/27/605927127.db2.gz PREJAPXZBLZIJQ-JTQLQIEISA-N -1 3 238.291 0.533 20 0 BCADHM CC[C@@](C)(CO)Nc1ncccc1-c1nnn[n-]1 ZINC000095259077 606175404 /nfs/dbraw/zinc/17/54/04/606175404.db2.gz GMUDPUCRLSAGAN-NSHDSACASA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@](C)(CO)Nc1ncccc1-c1nn[n-]n1 ZINC000095259077 606175405 /nfs/dbraw/zinc/17/54/05/606175405.db2.gz GMUDPUCRLSAGAN-NSHDSACASA-N -1 3 248.290 0.835 20 0 BCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCC1CC1 ZINC000095216326 606233974 /nfs/dbraw/zinc/23/39/74/606233974.db2.gz OOXUKGJNICVQRA-UHFFFAOYSA-N -1 3 246.274 0.345 20 0 BCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCC1CC1 ZINC000095216326 606233976 /nfs/dbraw/zinc/23/39/76/606233976.db2.gz OOXUKGJNICVQRA-UHFFFAOYSA-N -1 3 246.274 0.345 20 0 BCADHM OCCNc1cccc(-c2nnn[n-]2)c1 ZINC000095157881 606478667 /nfs/dbraw/zinc/47/86/67/606478667.db2.gz SZOYJMWDYGNYDM-UHFFFAOYSA-N -1 3 205.221 0.271 20 0 BCADHM OCCNc1cccc(-c2nn[n-]n2)c1 ZINC000095157881 606478668 /nfs/dbraw/zinc/47/86/68/606478668.db2.gz SZOYJMWDYGNYDM-UHFFFAOYSA-N -1 3 205.221 0.271 20 0 BCADHM C[C@@H](CO)COc1ccccc1-c1nnn[n-]1 ZINC000824441692 608259642 /nfs/dbraw/zinc/25/96/42/608259642.db2.gz RDQWGCMIBVLVBC-QMMMGPOBSA-N -1 3 234.259 0.874 20 0 BCADHM C[C@@H](CO)COc1ccccc1-c1nn[n-]n1 ZINC000824441692 608259645 /nfs/dbraw/zinc/25/96/45/608259645.db2.gz RDQWGCMIBVLVBC-QMMMGPOBSA-N -1 3 234.259 0.874 20 0 BCADHM C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000095245013 608551766 /nfs/dbraw/zinc/55/17/66/608551766.db2.gz GVYWOWBIYLLBAX-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000095245013 608551768 /nfs/dbraw/zinc/55/17/68/608551768.db2.gz GVYWOWBIYLLBAX-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM CC[C@H](CO)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC000095285069 608586378 /nfs/dbraw/zinc/58/63/78/608586378.db2.gz RBXVHYGIQZVSRY-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM CC[C@H](CO)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC000095285069 608586379 /nfs/dbraw/zinc/58/63/79/608586379.db2.gz RBXVHYGIQZVSRY-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM O=C(NC1CCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826430143 609210567 /nfs/dbraw/zinc/21/05/67/609210567.db2.gz VEYLDVRHGQKDBF-UHFFFAOYSA-N -1 3 232.247 0.477 20 0 BCADHM O=C(NC1CCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826430143 609210569 /nfs/dbraw/zinc/21/05/69/609210569.db2.gz VEYLDVRHGQKDBF-UHFFFAOYSA-N -1 3 232.247 0.477 20 0 BCADHM C[C@H]1CCN(c2cc(=O)[n-]cn2)CC[S@@]1=O ZINC000893488789 634529222 /nfs/dbraw/zinc/52/92/22/634529222.db2.gz XGDIPZDZUFCGNQ-PWJLMRLQSA-N -1 3 241.316 0.530 20 0 BCADHM COC[C@@H](C[N-]C(=O)C(F)(F)C(F)F)OC ZINC000227699984 635452267 /nfs/dbraw/zinc/45/22/67/635452267.db2.gz QJANGBFUAKDZMW-RXMQYKEDSA-N -1 3 247.188 0.664 20 0 BCADHM CCOc1nnc(NC(=O)c2cnn(C)c2)[n-]1 ZINC000228783869 635465165 /nfs/dbraw/zinc/46/51/65/635465165.db2.gz BYRROEKKHRYCPT-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM CCOc1nc(NC(=O)c2cnn(C)c2)n[n-]1 ZINC000228783869 635465171 /nfs/dbraw/zinc/46/51/71/635465171.db2.gz BYRROEKKHRYCPT-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM CCOc1n[n-]c(NC(=O)c2cnn(C)c2)n1 ZINC000228783869 635465177 /nfs/dbraw/zinc/46/51/77/635465177.db2.gz BYRROEKKHRYCPT-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM COc1cccc([O-])c1C(=O)NCCO ZINC000096785613 635538304 /nfs/dbraw/zinc/53/83/04/635538304.db2.gz HSQMLABBZSYYMX-UHFFFAOYSA-N -1 3 211.217 0.123 20 0 BCADHM CCOc1nnc(NC(=O)c2cncs2)[n-]1 ZINC000233802772 635542305 /nfs/dbraw/zinc/54/23/05/635542305.db2.gz BOUFDIPGUOSRPT-UHFFFAOYSA-N -1 3 239.260 0.912 20 0 BCADHM CCOc1nc(NC(=O)c2cncs2)n[n-]1 ZINC000233802772 635542311 /nfs/dbraw/zinc/54/23/11/635542311.db2.gz BOUFDIPGUOSRPT-UHFFFAOYSA-N -1 3 239.260 0.912 20 0 BCADHM CCOc1n[n-]c(NC(=O)c2cncs2)n1 ZINC000233802772 635542312 /nfs/dbraw/zinc/54/23/12/635542312.db2.gz BOUFDIPGUOSRPT-UHFFFAOYSA-N -1 3 239.260 0.912 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H]2CO)n1 ZINC000934012888 631592454 /nfs/dbraw/zinc/59/24/54/631592454.db2.gz FFRIINKIUNGIOT-DTWKUNHWSA-N -1 3 223.276 0.618 20 0 BCADHM O=c1cc(N[C@H](CO)[C@@H]2CCCOC2)nc[n-]1 ZINC000894203174 635746604 /nfs/dbraw/zinc/74/66/04/635746604.db2.gz DEIMYSNDBCIVDH-RKDXNWHRSA-N -1 3 239.275 0.382 20 0 BCADHM O=C1[C@@H](Nc2cc(=O)[n-]cn2)C[C@H]2CCCCN12 ZINC000894144579 635716306 /nfs/dbraw/zinc/71/63/06/635716306.db2.gz WDKUXNBSWGVUQH-BDAKNGLRSA-N -1 3 248.286 0.748 20 0 BCADHM CC[C@@](C)(CN1CCO[C@H](CC(=O)[O-])C1)OC ZINC000319533300 635731563 /nfs/dbraw/zinc/73/15/63/635731563.db2.gz ARANBMYKHPAXTA-PWSUYJOCSA-N -1 3 245.319 0.977 20 0 BCADHM CC[C@](C)(CN1CCO[C@H](CC(=O)[O-])C1)OC ZINC000319533303 635732112 /nfs/dbraw/zinc/73/21/12/635732112.db2.gz ARANBMYKHPAXTA-ZYHUDNBSSA-N -1 3 245.319 0.977 20 0 BCADHM CCC[C@@H](O)[C@@H](CO)Nc1cc(=O)[n-]cn1 ZINC000894189578 635744011 /nfs/dbraw/zinc/74/40/11/635744011.db2.gz JYJXEMBJOCQZNP-HTQZYQBOSA-N -1 3 227.264 0.116 20 0 BCADHM CCOc1nnc(NC(=O)CCCOC)[n-]1 ZINC000162052902 632503281 /nfs/dbraw/zinc/50/32/81/632503281.db2.gz BUDDCXWVVPYJPN-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM CCOc1nc(NC(=O)CCCOC)n[n-]1 ZINC000162052902 632503288 /nfs/dbraw/zinc/50/32/88/632503288.db2.gz BUDDCXWVVPYJPN-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM CCOc1n[n-]c(NC(=O)CCCOC)n1 ZINC000162052902 632503299 /nfs/dbraw/zinc/50/32/99/632503299.db2.gz BUDDCXWVVPYJPN-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM CCOc1nnc(NC(=O)CCSC)[n-]1 ZINC000162070451 632507125 /nfs/dbraw/zinc/50/71/25/632507125.db2.gz OTBAGTNKAAARNO-UHFFFAOYSA-N -1 3 230.293 0.895 20 0 BCADHM CCOc1nc(NC(=O)CCSC)n[n-]1 ZINC000162070451 632507128 /nfs/dbraw/zinc/50/71/28/632507128.db2.gz OTBAGTNKAAARNO-UHFFFAOYSA-N -1 3 230.293 0.895 20 0 BCADHM CCOc1n[n-]c(NC(=O)CCSC)n1 ZINC000162070451 632507131 /nfs/dbraw/zinc/50/71/31/632507131.db2.gz OTBAGTNKAAARNO-UHFFFAOYSA-N -1 3 230.293 0.895 20 0 BCADHM CO[N-]C(=O)CNCc1ccccc1OC ZINC000309929768 632682926 /nfs/dbraw/zinc/68/29/26/632682926.db2.gz XHRRUQDRIMEHRT-UHFFFAOYSA-N -1 3 224.260 0.462 20 0 BCADHM C=CC(=O)NCCNC(=O)c1ccccc1[O-] ZINC000179556607 632746388 /nfs/dbraw/zinc/74/63/88/632746388.db2.gz VOXLGLRHHFMMAA-UHFFFAOYSA-N -1 3 234.255 0.424 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2C[C@@H]2C)[n-]1 ZINC000162051992 632866592 /nfs/dbraw/zinc/86/65/92/632866592.db2.gz BSNZSCZBKSTDGP-NTSWFWBYSA-N -1 3 210.237 0.798 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2C[C@@H]2C)n[n-]1 ZINC000162051992 632866593 /nfs/dbraw/zinc/86/65/93/632866593.db2.gz BSNZSCZBKSTDGP-NTSWFWBYSA-N -1 3 210.237 0.798 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2C)n1 ZINC000162051992 632866596 /nfs/dbraw/zinc/86/65/96/632866596.db2.gz BSNZSCZBKSTDGP-NTSWFWBYSA-N -1 3 210.237 0.798 20 0 BCADHM CCNC(=O)[C@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000165238717 633087053 /nfs/dbraw/zinc/08/70/53/633087053.db2.gz ARAWJFIODGUIDN-LURJTMIESA-N -1 3 224.264 0.427 20 0 BCADHM Cc1nc(NCc2ccn(C)n2)cc(=O)[n-]1 ZINC000165882690 633101262 /nfs/dbraw/zinc/10/12/62/633101262.db2.gz CKTNHIVWDPOBAH-UHFFFAOYSA-N -1 3 219.248 0.836 20 0 BCADHM Cc1cnc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c([O-])c1 ZINC000928434944 635930317 /nfs/dbraw/zinc/93/03/17/635930317.db2.gz FNGINMXMWHSHEJ-ZJUUUORDSA-N -1 3 249.314 0.918 20 0 BCADHM CC(C)[C@H](C(=O)N[C@@H](C)CCC(=O)[O-])N(C)C ZINC000909447758 636063626 /nfs/dbraw/zinc/06/36/26/636063626.db2.gz AJMCLASSNIHFCN-GXSJLCMTSA-N -1 3 244.335 0.942 20 0 BCADHM CC(C)[C@H](C(=O)N[C@H](C)CCC(=O)[O-])N(C)C ZINC000909447762 636064277 /nfs/dbraw/zinc/06/42/77/636064277.db2.gz AJMCLASSNIHFCN-MWLCHTKSSA-N -1 3 244.335 0.942 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)C(C)(F)F ZINC000328229809 633743885 /nfs/dbraw/zinc/74/38/85/633743885.db2.gz CZBMIERQCDJZON-UHFFFAOYSA-N -1 3 238.234 0.116 20 0 BCADHM CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000973761037 633791652 /nfs/dbraw/zinc/79/16/52/633791652.db2.gz VBONHKGGSPUSSV-AOOOYVTPSA-N -1 3 248.282 0.789 20 0 BCADHM CC(=O)[N-]O[C@H]1CCN(C(C)C)C1=O ZINC000180798460 633901272 /nfs/dbraw/zinc/90/12/72/633901272.db2.gz FOCJDBABLUQPSX-QMMMGPOBSA-N -1 3 200.238 0.063 20 0 BCADHM CC(=O)[N-]O[C@H](C)C(=O)NCCC(C)C ZINC000180800760 633901242 /nfs/dbraw/zinc/90/12/42/633901242.db2.gz VHZWPESLSXKCAT-MRVPVSSYSA-N -1 3 216.281 0.605 20 0 BCADHM CCOCCO[N-]C(=O)Cc1cccnc1 ZINC000184758323 634019283 /nfs/dbraw/zinc/01/92/83/634019283.db2.gz MMNWLWJWZNLTLO-UHFFFAOYSA-N -1 3 224.260 0.708 20 0 BCADHM Cn1ncc(C[N-]c2nnc(C(F)F)o2)n1 ZINC000309854025 634031054 /nfs/dbraw/zinc/03/10/54/634031054.db2.gz ZKNXXSRIHBRJMF-UHFFFAOYSA-N -1 3 230.178 0.748 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)C1CC(=O)C1 ZINC000189251316 634175978 /nfs/dbraw/zinc/17/59/78/634175978.db2.gz KZSRGQJHXDPRID-SSDOTTSWSA-N -1 3 213.233 0.050 20 0 BCADHM C[C@@H](Nc1cc(=O)[n-]cn1)C(=O)NC(C)(C)C ZINC000162773054 634355035 /nfs/dbraw/zinc/35/50/35/634355035.db2.gz YASIJTAWBCCCFC-SSDOTTSWSA-N -1 3 238.291 0.485 20 0 BCADHM CNC(=O)[C@@H](Nc1cc(=O)[n-]cn1)C(C)C ZINC000893557169 635157562 /nfs/dbraw/zinc/15/75/62/635157562.db2.gz SSBUAILZLVUSGK-VIFPVBQESA-N -1 3 224.264 0.365 20 0 BCADHM CC[C@@H](C(=O)[O-])C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000258775319 635195675 /nfs/dbraw/zinc/19/56/75/635195675.db2.gz MNHCEKAEBILZLZ-VHSXEESVSA-N -1 3 242.319 0.650 20 0 BCADHM COCCOCC[N-]C(=O)C(F)(F)C(F)F ZINC000226616760 635438077 /nfs/dbraw/zinc/43/80/77/635438077.db2.gz XBHBDBXVEOJIGT-UHFFFAOYSA-N -1 3 247.188 0.666 20 0 BCADHM O=c1cc(N2CCC3(CCO3)CC2)nc[n-]1 ZINC000893700207 635499163 /nfs/dbraw/zinc/49/91/63/635499163.db2.gz VACQATJUBIXZOR-UHFFFAOYSA-N -1 3 221.260 0.942 20 0 BCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CC(F)C1 ZINC000897371385 636527778 /nfs/dbraw/zinc/52/77/78/636527778.db2.gz UTTGXDNDGVWNLZ-UHFFFAOYSA-N -1 3 248.221 0.056 20 0 BCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CC(F)C1 ZINC000897371385 636527797 /nfs/dbraw/zinc/52/77/97/636527797.db2.gz UTTGXDNDGVWNLZ-UHFFFAOYSA-N -1 3 248.221 0.056 20 0 BCADHM CCn1cc(CSCCc2nnn[n-]2)nn1 ZINC000901566759 637260263 /nfs/dbraw/zinc/26/02/63/637260263.db2.gz WBQREOZDYNXGIJ-UHFFFAOYSA-N -1 3 239.308 0.287 20 0 BCADHM CCn1cc(CSCCc2nn[n-]n2)nn1 ZINC000901566759 637260275 /nfs/dbraw/zinc/26/02/75/637260275.db2.gz WBQREOZDYNXGIJ-UHFFFAOYSA-N -1 3 239.308 0.287 20 0 BCADHM COC(=O)/C(C)=C/CN=c1ncnc2[nH][n-]cc1-2 ZINC000905014992 637545742 /nfs/dbraw/zinc/54/57/42/637545742.db2.gz TXICJVVCMUGWCI-XVNBXDOJSA-N -1 3 247.258 0.258 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1C[C@H]1OC ZINC000905217815 637700155 /nfs/dbraw/zinc/70/01/55/637700155.db2.gz GQLNTMCDQIZXCO-PHDIDXHHSA-N -1 3 239.231 0.170 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1C[C@H]1OC ZINC000905217815 637700161 /nfs/dbraw/zinc/70/01/61/637700161.db2.gz GQLNTMCDQIZXCO-PHDIDXHHSA-N -1 3 239.231 0.170 20 0 BCADHM O=C([N-]OCC(F)(F)F)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907049090 638295150 /nfs/dbraw/zinc/29/51/50/638295150.db2.gz PYZNVNXEOXQPIE-QXRNQMCJSA-N -1 3 237.177 0.822 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907795393 638474064 /nfs/dbraw/zinc/47/40/64/638474064.db2.gz XELUWJNSCZZTPT-FTLITQJKSA-N -1 3 227.260 0.030 20 0 BCADHM CSCCO[N-]C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907896539 638504007 /nfs/dbraw/zinc/50/40/07/638504007.db2.gz ZXSTVFPNMXEQSC-FTLITQJKSA-N -1 3 229.301 0.622 20 0 BCADHM CCC[C@H](NC(=O)C1(N(C)C)CCC1)C(=O)[O-] ZINC000908217150 638616906 /nfs/dbraw/zinc/61/69/06/638616906.db2.gz MOXACRRSYUOLTL-VIFPVBQESA-N -1 3 242.319 0.840 20 0 BCADHM O=C(CCF)NCCCc1cc(=O)[nH][n-]1 ZINC000908230815 638619991 /nfs/dbraw/zinc/61/99/91/638619991.db2.gz ANHDKIRMXOSNCG-UHFFFAOYSA-N -1 3 215.228 0.118 20 0 BCADHM O=C(CC1COC1)[N-]OC/C=C/Cl ZINC000908314955 638637384 /nfs/dbraw/zinc/63/73/84/638637384.db2.gz XPCSHTYJWWQVLK-OWOJBTEDSA-N -1 3 205.641 0.823 20 0 BCADHM NC(=O)CCC(=O)[N-]OCCC1CC1 ZINC000908381670 638677876 /nfs/dbraw/zinc/67/78/76/638677876.db2.gz ABBVGNDBFVFPDR-UHFFFAOYSA-N -1 3 200.238 0.100 20 0 BCADHM O=C([N-]OCC1CC1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000908383527 638679377 /nfs/dbraw/zinc/67/93/77/638679377.db2.gz RHCMLZYFHFNABE-QNSHHTMESA-N -1 3 209.245 0.669 20 0 BCADHM O=C(NC1CC(=O)C1)c1cccc2n[n-]nc21 ZINC000908471236 638734033 /nfs/dbraw/zinc/73/40/33/638734033.db2.gz YNBRQTPYJRKNNG-UHFFFAOYSA-N -1 3 230.227 0.419 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C/C=C/Cl)c1 ZINC000908453527 638741972 /nfs/dbraw/zinc/74/19/72/638741972.db2.gz WWHPZIABGKUWDY-ONEGZZNKSA-N -1 3 249.723 0.934 20 0 BCADHM O=C([N-][C@@H](CO)c1ccccn1)C(F)F ZINC000908488066 638751650 /nfs/dbraw/zinc/75/16/50/638751650.db2.gz TYVVVOHEKHFDMC-ZETCQYMHSA-N -1 3 216.187 0.496 20 0 BCADHM O=C([O-])[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000908598320 639022844 /nfs/dbraw/zinc/02/28/44/639022844.db2.gz TXYMNVKOVDCGFS-QMMMGPOBSA-N -1 3 237.259 0.275 20 0 BCADHM CCN(CCC(=O)[O-])C(=O)CN1CCCC1 ZINC000908859507 639086332 /nfs/dbraw/zinc/08/63/32/639086332.db2.gz VTBBODUTBAGRMX-UHFFFAOYSA-N -1 3 228.292 0.405 20 0 BCADHM CC(C)CN(CC(=O)[O-])C(=O)CN(C)C(C)C ZINC000908883265 639090446 /nfs/dbraw/zinc/09/04/46/639090446.db2.gz QVPZOLDNLDPCMC-UHFFFAOYSA-N -1 3 244.335 0.896 20 0 BCADHM CC[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C(=O)[O-] ZINC000909122466 639150882 /nfs/dbraw/zinc/15/08/82/639150882.db2.gz KBZMRLSQXKPZLN-NXEZZACHSA-N -1 3 242.319 0.839 20 0 BCADHM Cc1cn(C)nc1COC(=O)c1cnn[n-]1 ZINC000909311618 639202632 /nfs/dbraw/zinc/20/26/32/639202632.db2.gz LJMFEWGQBIUVSU-UHFFFAOYSA-N -1 3 221.220 0.204 20 0 BCADHM Cc1cn(C)nc1COC(=O)c1c[n-]nn1 ZINC000909311618 639202636 /nfs/dbraw/zinc/20/26/36/639202636.db2.gz LJMFEWGQBIUVSU-UHFFFAOYSA-N -1 3 221.220 0.204 20 0 BCADHM Cc1nnsc1[C@@H](C)OC(=O)c1cnn[n-]1 ZINC000909312199 639205778 /nfs/dbraw/zinc/20/57/78/639205778.db2.gz SANUWWXGACAWQH-RXMQYKEDSA-N -1 3 239.260 0.883 20 0 BCADHM Cc1nnsc1[C@@H](C)OC(=O)c1c[n-]nn1 ZINC000909312199 639205781 /nfs/dbraw/zinc/20/57/81/639205781.db2.gz SANUWWXGACAWQH-RXMQYKEDSA-N -1 3 239.260 0.883 20 0 BCADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cc1c[nH]cn1 ZINC000909800993 639221470 /nfs/dbraw/zinc/22/14/70/639221470.db2.gz WBTUZCDNKUIQCO-APPZFPTMSA-N -1 3 237.259 0.274 20 0 BCADHM CCC[C@@H](CNC(=O)[C@H](CC)N(C)C)C(=O)[O-] ZINC000909811453 639227147 /nfs/dbraw/zinc/22/71/47/639227147.db2.gz HSBPRMAOISSQRZ-UWVGGRQHSA-N -1 3 244.335 0.944 20 0 BCADHM CN(CCC(=O)[O-])c1ccncc1CO ZINC000910309243 639408368 /nfs/dbraw/zinc/40/83/68/639408368.db2.gz OJGDRMNHKARADQ-UHFFFAOYSA-N -1 3 210.233 0.485 20 0 BCADHM C[C@@H](CNc1ccncc1CO)CC(=O)[O-] ZINC000910316552 639411768 /nfs/dbraw/zinc/41/17/68/639411768.db2.gz SVASGXMDQZABOV-MRVPVSSYSA-N -1 3 224.260 0.519 20 0 BCADHM O=C([O-])[C@H]1C[C@@H](Nc2ccncc2CO)C1 ZINC000910415500 639443186 /nfs/dbraw/zinc/44/31/86/639443186.db2.gz CVGWGFIVNXCIKX-OTSSQURYSA-N -1 3 222.244 0.271 20 0 BCADHM O=C([O-])C1(CNc2ccncc2CO)CC1 ZINC000910429046 639444672 /nfs/dbraw/zinc/44/46/72/639444672.db2.gz HRAYAHWUVKCFGW-UHFFFAOYSA-N -1 3 222.244 0.273 20 0 BCADHM O=C(CCF)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911853963 639858164 /nfs/dbraw/zinc/85/81/64/639858164.db2.gz FXHAYBRRNGQBRQ-ZETCQYMHSA-N -1 3 227.239 0.791 20 0 BCADHM CC(C)(O)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911851238 639858382 /nfs/dbraw/zinc/85/83/82/639858382.db2.gz BTMWLJRWUDKDLQ-SSDOTTSWSA-N -1 3 239.275 0.202 20 0 BCADHM O=C(C1=COCC1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911853360 639860308 /nfs/dbraw/zinc/86/03/08/639860308.db2.gz STAONUCWSXKZFP-QMMMGPOBSA-N -1 3 249.270 0.735 20 0 BCADHM CC=CC=CC(=O)NCCCc1c[n-][nH]c1=O ZINC000912470609 640086217 /nfs/dbraw/zinc/08/62/17/640086217.db2.gz UJEWQUKCSWGAKD-NCCIWJFPSA-N -1 3 235.287 0.747 20 0 BCADHM CC/C(C)=C\C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471140 640086412 /nfs/dbraw/zinc/08/64/12/640086412.db2.gz OHWGPBLHLDXFNF-RNKPRXRFSA-N -1 3 237.303 0.971 20 0 BCADHM CC/C=C(\F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000912470079 640087472 /nfs/dbraw/zinc/08/74/72/640087472.db2.gz HBLBMAZCRDVOHA-ZKUGPGMGSA-N -1 3 241.266 0.878 20 0 BCADHM C/C=C\C(=O)NCCCc1c[n-][nH]c1=O ZINC000912470264 640087539 /nfs/dbraw/zinc/08/75/39/640087539.db2.gz RDIZTFZZGULWHL-DLRBJTRDSA-N -1 3 209.249 0.191 20 0 BCADHM CC/C(C)=C\C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471142 640087706 /nfs/dbraw/zinc/08/77/06/640087706.db2.gz OHWGPBLHLDXFNF-UJICNMFASA-N -1 3 237.303 0.971 20 0 BCADHM C/C=C\C(=O)NCCCc1c[n-][nH]c1=O ZINC000912470267 640087978 /nfs/dbraw/zinc/08/79/78/640087978.db2.gz RDIZTFZZGULWHL-LTMVXPGCSA-N -1 3 209.249 0.191 20 0 BCADHM O=C(/C=C\C1CC1)NCCCc1c[n-][nH]c1=O ZINC000912471771 640088040 /nfs/dbraw/zinc/08/80/40/640088040.db2.gz XDVGSBQEKXQCPH-OMMCCPJFSA-N -1 3 235.287 0.581 20 0 BCADHM CO[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(SC)n1 ZINC000931203028 640103415 /nfs/dbraw/zinc/10/34/15/640103415.db2.gz MJVHDQMSWGWULU-RFZPGFLSSA-N -1 3 228.277 0.500 20 0 BCADHM CN(CC(=O)N(C)c1nnn[n-]1)CC(C)(C)C ZINC000912616372 640127197 /nfs/dbraw/zinc/12/71/97/640127197.db2.gz DOLRJPUJOYRTAW-UHFFFAOYSA-N -1 3 240.311 0.140 20 0 BCADHM CN(CC(=O)N(C)c1nn[n-]n1)CC(C)(C)C ZINC000912616372 640127202 /nfs/dbraw/zinc/12/72/02/640127202.db2.gz DOLRJPUJOYRTAW-UHFFFAOYSA-N -1 3 240.311 0.140 20 0 BCADHM COC[C@@H](C)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931311950 640140788 /nfs/dbraw/zinc/14/07/88/640140788.db2.gz OXEOPZJLHLKFIP-SSDOTTSWSA-N -1 3 223.276 0.841 20 0 BCADHM Cc1cccc(CO[N-]C(=O)[C@@H]2C[C@@H]2C(N)=O)n1 ZINC000912629764 640144871 /nfs/dbraw/zinc/14/48/71/640144871.db2.gz AJFRAFZSLFEHCG-VHSXEESVSA-N -1 3 249.270 0.059 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1csnn1)C2 ZINC000931314176 640151033 /nfs/dbraw/zinc/15/10/33/640151033.db2.gz XYTYABYJUROFAK-UHFFFAOYSA-N -1 3 249.299 0.858 20 0 BCADHM COC(=O)CCN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931321798 640154083 /nfs/dbraw/zinc/15/40/83/640154083.db2.gz VYYBPBQJWWYDSM-UHFFFAOYSA-N -1 3 237.259 0.369 20 0 BCADHM CC[C@@H](C(N)=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931318199 640154325 /nfs/dbraw/zinc/15/43/25/640154325.db2.gz KLMIPFBTNGEFTE-VIFPVBQESA-N -1 3 236.275 0.070 20 0 BCADHM COC(=O)[C@H](C)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931318750 640154545 /nfs/dbraw/zinc/15/45/45/640154545.db2.gz QVFWABFCTLEYEK-LURJTMIESA-N -1 3 237.259 0.368 20 0 BCADHM O=C(CC1(O)CCOCC1)[N-]OCC1CCC1 ZINC000912724269 640178848 /nfs/dbraw/zinc/17/88/48/640178848.db2.gz BWJOLNLNFOUJOH-UHFFFAOYSA-N -1 3 243.303 0.766 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)NCC(F)F ZINC000931635758 640299600 /nfs/dbraw/zinc/29/96/00/640299600.db2.gz XEWPERDOSZRQCV-ZCFIWIBFSA-N -1 3 248.233 0.063 20 0 BCADHM CC(C)n1nnc([N-]C(=O)c2cncs2)n1 ZINC000913485834 640377312 /nfs/dbraw/zinc/37/73/12/640377312.db2.gz KKNGFSPTURLQKX-UHFFFAOYSA-N -1 3 238.276 0.963 20 0 BCADHM Cn1nnc(NC(=O)[N-]OCC2CCC2)n1 ZINC000932253257 640458672 /nfs/dbraw/zinc/45/86/72/640458672.db2.gz QVFRBYIIHULPOJ-UHFFFAOYSA-N -1 3 226.240 0.063 20 0 BCADHM Cn1nnc(NC([O-])=NOC/C=C/Cl)n1 ZINC000932259261 640460802 /nfs/dbraw/zinc/46/08/02/640460802.db2.gz YIENQGICXAUDHZ-NSCUHMNNSA-N -1 3 232.631 0.016 20 0 BCADHM Cn1nnc(NC(=O)[N-]OC/C=C/Cl)n1 ZINC000932259261 640460807 /nfs/dbraw/zinc/46/08/07/640460807.db2.gz YIENQGICXAUDHZ-NSCUHMNNSA-N -1 3 232.631 0.016 20 0 BCADHM Cc1nc(NC[C@@H](C)CCO)cc(=O)[n-]1 ZINC000165300885 640553757 /nfs/dbraw/zinc/55/37/57/640553757.db2.gz YXUZHQMMYAYOOO-ZETCQYMHSA-N -1 3 211.265 0.921 20 0 BCADHM CC[C@H]1CN(c2cc(=O)[n-]cn2)CCO1 ZINC000165386879 640569098 /nfs/dbraw/zinc/56/90/98/640569098.db2.gz UWTQAVRNZNJXFI-QMMMGPOBSA-N -1 3 209.249 0.385 20 0 BCADHM CCO[C@H]1CCCN(c2cc(=O)[n-]cn2)C1 ZINC000165405993 640570353 /nfs/dbraw/zinc/57/03/53/640570353.db2.gz NZZOOYFCZDAINK-VIFPVBQESA-N -1 3 223.276 0.775 20 0 BCADHM C[C@@H]1CN(c2cc(=O)[n-]cn2)CCCO1 ZINC000165414398 640576230 /nfs/dbraw/zinc/57/62/30/640576230.db2.gz VURNPFOVUDKBQU-MRVPVSSYSA-N -1 3 209.249 0.385 20 0 BCADHM CC(C)C[C@H](O)CNc1cc(=O)[n-]cn1 ZINC000226132630 640734157 /nfs/dbraw/zinc/73/41/57/640734157.db2.gz UOXPGLHHNFYKAT-QMMMGPOBSA-N -1 3 211.265 0.589 20 0 BCADHM CCC(=O)N1CCC[C@H](C(=O)[N-]OC)C1 ZINC000058835716 640748172 /nfs/dbraw/zinc/74/81/72/640748172.db2.gz WFQKPONSECHRJE-QMMMGPOBSA-N -1 3 214.265 0.313 20 0 BCADHM CCOc1nnc(NC(=O)c2cccn2C)[n-]1 ZINC000228780500 640895437 /nfs/dbraw/zinc/89/54/37/640895437.db2.gz LLDBWTFIVNHJSM-UHFFFAOYSA-N -1 3 235.247 0.794 20 0 BCADHM CCOc1nc(NC(=O)c2cccn2C)n[n-]1 ZINC000228780500 640895440 /nfs/dbraw/zinc/89/54/40/640895440.db2.gz LLDBWTFIVNHJSM-UHFFFAOYSA-N -1 3 235.247 0.794 20 0 BCADHM CCOc1n[n-]c(NC(=O)c2cccn2C)n1 ZINC000228780500 640895442 /nfs/dbraw/zinc/89/54/42/640895442.db2.gz LLDBWTFIVNHJSM-UHFFFAOYSA-N -1 3 235.247 0.794 20 0 BCADHM O=C([N-]C[C@H](O)C1CC1)C(F)(F)C(F)F ZINC000230142087 641030090 /nfs/dbraw/zinc/03/00/90/641030090.db2.gz UVHPWMSOBDKGTI-YFKPBYRVSA-N -1 3 229.173 0.774 20 0 BCADHM C[C@H](C[S@](C)=O)[N-]C(=O)C(F)(F)C(F)F ZINC000230181672 641035554 /nfs/dbraw/zinc/03/55/54/641035554.db2.gz QTGDXWOXMXYOTI-BHEZAOBHSA-N -1 3 249.229 0.770 20 0 BCADHM C[C@@]1(O)CCCN(c2cc(=O)[n-]cn2)CC1 ZINC000230373396 641050410 /nfs/dbraw/zinc/05/04/10/641050410.db2.gz BVZJPKBTMCAVIP-LLVKDONJSA-N -1 3 223.276 0.511 20 0 BCADHM CCC(CC)[C@@H](O)CNc1cc(=O)[n-]cn1 ZINC000230647207 641075890 /nfs/dbraw/zinc/07/58/90/641075890.db2.gz XCJDSNYRUOIBKS-VIFPVBQESA-N -1 3 225.292 0.979 20 0 BCADHM Cc1noc(CCNc2cc(=O)[n-]c(C)n2)n1 ZINC000231899892 641214912 /nfs/dbraw/zinc/21/49/12/641214912.db2.gz QHAVHJGKNBWHET-UHFFFAOYSA-N -1 3 235.247 0.837 20 0 BCADHM C[C@@H]1CC=CC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000934621074 641218591 /nfs/dbraw/zinc/21/85/91/641218591.db2.gz QUVCAVLWSIQYEK-HTQZYQBOSA-N -1 3 208.265 0.955 20 0 BCADHM CC[C@@H]1C[C@H]1CN1CCO[C@@H](C(=O)[O-])C1 ZINC000723069128 711499231 /nfs/dbraw/zinc/49/92/31/711499231.db2.gz BGPBBINXAFRXHJ-KXUCPTDWSA-N -1 3 213.277 0.818 20 0 BCADHM COc1ccc(CC(=O)[N-]OCCO)c(C)c1 ZINC000935455223 641411157 /nfs/dbraw/zinc/41/11/57/641411157.db2.gz DPHJXFMJABCUHM-UHFFFAOYSA-N -1 3 239.271 0.586 20 0 BCADHM CCn1cc(C(=O)Nc2nc(C)ccc2[O-])nn1 ZINC000935708164 641465736 /nfs/dbraw/zinc/46/57/36/641465736.db2.gz FPWUSEIWSRZFFG-UHFFFAOYSA-N -1 3 247.258 0.959 20 0 BCADHM O=C(/C=C/c1ncc[nH]1)[N-]OC[C@@H]1CCOC1 ZINC000493860834 641643276 /nfs/dbraw/zinc/64/32/76/641643276.db2.gz WNAQFDCZZKZGHT-GPYPMJJRSA-N -1 3 237.259 0.507 20 0 BCADHM COCCCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000187961387 641736595 /nfs/dbraw/zinc/73/65/95/641736595.db2.gz UGMTVWACEVTFNZ-SECBINFHSA-N -1 3 217.265 0.497 20 0 BCADHM CO[C@@H](C)CCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189251425 641794455 /nfs/dbraw/zinc/79/44/55/641794455.db2.gz WVKCXOHLKLQCLG-VHSXEESVSA-N -1 3 231.292 0.886 20 0 BCADHM COCCC1(C(=O)[N-]OC[C@H]2CCOC2)CC1 ZINC000189237901 641794697 /nfs/dbraw/zinc/79/46/97/641794697.db2.gz QIVWNXSWBCINJB-JTQLQIEISA-N -1 3 243.303 0.887 20 0 BCADHM CO[C@H](C)CCC(=O)[N-]OC[C@H]1CCOC1 ZINC000189251495 641795686 /nfs/dbraw/zinc/79/56/86/641795686.db2.gz WVKCXOHLKLQCLG-ZJUUUORDSA-N -1 3 231.292 0.886 20 0 BCADHM CCC(=O)N1CC[C@@H](C(=O)[N-]OCC(C)C)C1 ZINC000153494878 641806000 /nfs/dbraw/zinc/80/60/00/641806000.db2.gz LNWBDPUDNSJNHY-SNVBAGLBSA-N -1 3 242.319 0.949 20 0 BCADHM C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)N(C)C ZINC000731916704 641821414 /nfs/dbraw/zinc/82/14/14/641821414.db2.gz YWYVIGWRMTYLKA-SSDOTTSWSA-N -1 3 238.243 0.421 20 0 BCADHM COC(=O)COC(=O)c1cncc([O-])c1 ZINC000731915671 641821567 /nfs/dbraw/zinc/82/15/67/641821567.db2.gz KEZYZRBFQREJOD-UHFFFAOYSA-N -1 3 211.173 0.117 20 0 BCADHM COc1ncc(S(=O)(=O)[N-][C@H]2C[C@@H]2C)s1 ZINC000918577576 642229757 /nfs/dbraw/zinc/22/97/57/642229757.db2.gz MREGVXIDQISMTG-WDSKDSINSA-N -1 3 248.329 0.838 20 0 BCADHM C[C@@H](C(=O)[N-]OC/C=C\Cl)N(C)C ZINC000308180015 642480552 /nfs/dbraw/zinc/48/05/52/642480552.db2.gz FUKNWBOCYWJSQX-MJSGSUOKSA-N -1 3 206.673 0.737 20 0 BCADHM CC[N-]S(=O)(=O)c1cnc(OC)s1 ZINC000308187053 642481737 /nfs/dbraw/zinc/48/17/37/642481737.db2.gz GNFYPXFTNRRJOH-UHFFFAOYSA-N -1 3 222.291 0.450 20 0 BCADHM COC(=O)[C@@H]1CN(c2cc(=O)[n-]cn2)C[C@H]1C ZINC000253627235 642671965 /nfs/dbraw/zinc/67/19/65/642671965.db2.gz BFGRCGSGNBAGQQ-HTQZYQBOSA-N -1 3 237.259 0.428 20 0 BCADHM CCCNC(=O)CCCC(=O)[N-]OCC ZINC000170900276 642831868 /nfs/dbraw/zinc/83/18/68/642831868.db2.gz BCRDXJHNSGNFTE-UHFFFAOYSA-N -1 3 216.281 0.751 20 0 BCADHM CCOc1ncccc1C(=O)[N-]NC(=O)C1CC1 ZINC000014290538 642884017 /nfs/dbraw/zinc/88/40/17/642884017.db2.gz SSGQDRNZILEUCX-UHFFFAOYSA-N -1 3 249.270 0.651 20 0 BCADHM CON(C)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000070153924 642978546 /nfs/dbraw/zinc/97/85/46/642978546.db2.gz FFGPINIBZIHURZ-UHFFFAOYSA-N -1 3 239.275 0.339 20 0 BCADHM CCS(=O)(=O)CCN1CCC[C@]1(C)C(=O)[O-] ZINC000070618045 643052524 /nfs/dbraw/zinc/05/25/24/643052524.db2.gz YREZIKFHALJIEV-SNVBAGLBSA-N -1 3 249.332 0.360 20 0 BCADHM O=C(C[C@@H]1CCCO1)[N-]OC[C@@H]1CCOC1 ZINC000189235352 643106651 /nfs/dbraw/zinc/10/66/51/643106651.db2.gz WFCPPXOXDAZQDM-ZJUUUORDSA-N -1 3 229.276 0.640 20 0 BCADHM COCCO[N-]C(=O)CC1(OC)CCC1 ZINC000234660411 643133820 /nfs/dbraw/zinc/13/38/20/643133820.db2.gz WWCGFCHQVVKOQS-UHFFFAOYSA-N -1 3 217.265 0.640 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-]CC(F)(F)CO ZINC000183925553 643183523 /nfs/dbraw/zinc/18/35/23/643183523.db2.gz DNJJJZMYRBUCLY-UHFFFAOYSA-N -1 3 236.045 0.924 20 0 BCADHM CCNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000071945115 643199247 /nfs/dbraw/zinc/19/92/47/643199247.db2.gz RYHMZDSTEVOOCS-UHFFFAOYSA-N -1 3 209.201 0.871 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccc2[nH]ccc2c1 ZINC000184714310 643230333 /nfs/dbraw/zinc/23/03/33/643230333.db2.gz NARWXIDHLVLOKS-UHFFFAOYSA-N -1 3 248.242 0.706 20 0 BCADHM COCCCO[N-]C(=O)CCc1c[nH]cn1 ZINC000287662382 643238941 /nfs/dbraw/zinc/23/89/41/643238941.db2.gz CTDPSPKNTHKKJE-UHFFFAOYSA-N -1 3 227.264 0.427 20 0 BCADHM CCOCCO[N-]C(=O)C[C@H](C)OC ZINC000184800119 643239484 /nfs/dbraw/zinc/23/94/84/643239484.db2.gz ZQKVZOIVJZMZON-QMMMGPOBSA-N -1 3 205.254 0.496 20 0 BCADHM O=c1cc(N[C@H]2CC[C@H](O)CC2)nc[n-]1 ZINC000253629357 643251844 /nfs/dbraw/zinc/25/18/44/643251844.db2.gz PNOKJIZYOJKMHE-ZKCHVHJHSA-N -1 3 209.249 0.898 20 0 BCADHM COCCN/C=C1\C(=O)[N-]C(=O)c2ccccc21 ZINC000230018100 643765748 /nfs/dbraw/zinc/76/57/48/643765748.db2.gz WIIUDZRVVAXJDZ-FLIBITNWSA-N -1 3 246.266 0.534 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C1CSC1 ZINC000921869700 643813040 /nfs/dbraw/zinc/81/30/40/643813040.db2.gz FLGJHAWMIXUTJO-UHFFFAOYSA-N -1 3 234.302 0.377 20 0 BCADHM COc1ccc(C(=O)N2CC=C[C@H]2CO)c([O-])c1 ZINC000922259868 643926936 /nfs/dbraw/zinc/92/69/36/643926936.db2.gz GIPCUPUACVWJTM-VIFPVBQESA-N -1 3 249.266 0.774 20 0 BCADHM CCNC(=O)CCCC(=O)[N-]OCCOCC ZINC000186888538 644152145 /nfs/dbraw/zinc/15/21/45/644152145.db2.gz LNORTLLVGLPHFO-UHFFFAOYSA-N -1 3 246.307 0.377 20 0 BCADHM CCc1ccc([O-])c(C(=O)NOCC(N)=O)c1 ZINC000089465675 644552649 /nfs/dbraw/zinc/55/26/49/644552649.db2.gz QKKQGSNMAWJENJ-UHFFFAOYSA-N -1 3 238.243 0.101 20 0 BCADHM NC(=O)CO[N-]C(=O)CCCC1CCCC1 ZINC000089463151 644553008 /nfs/dbraw/zinc/55/30/08/644553008.db2.gz FLVMJNQZBIIOEX-UHFFFAOYSA-N -1 3 228.292 0.880 20 0 BCADHM O=C(C[C@H]1COC(=O)C1)[N-]OCCC1CC1 ZINC000817373304 644978174 /nfs/dbraw/zinc/97/81/74/644978174.db2.gz UKFLJDIQNBTGHG-SECBINFHSA-N -1 3 227.260 0.788 20 0 BCADHM C[C@@H](CN(C)c1cc(F)ncn1)c1nnn[n-]1 ZINC000853477456 645493895 /nfs/dbraw/zinc/49/38/95/645493895.db2.gz TVIOMUQKIOSGMS-LURJTMIESA-N -1 3 237.242 0.369 20 0 BCADHM C[C@@H](CN(C)c1cc(F)ncn1)c1nn[n-]n1 ZINC000853477456 645493907 /nfs/dbraw/zinc/49/39/07/645493907.db2.gz TVIOMUQKIOSGMS-LURJTMIESA-N -1 3 237.242 0.369 20 0 BCADHM Cn1cc(CCC(=O)[N-]OC2CCC2)nn1 ZINC000854752457 645510912 /nfs/dbraw/zinc/51/09/12/645510912.db2.gz AODVWXKNHCTYBW-UHFFFAOYSA-N -1 3 224.264 0.348 20 0 BCADHM CC[C@H](O)CC(=O)[N-]OCC(F)(F)F ZINC000857472265 645568838 /nfs/dbraw/zinc/56/88/38/645568838.db2.gz RHQDACANCOSLQP-YFKPBYRVSA-N -1 3 215.171 0.758 20 0 BCADHM CC(C)O[N-]C(=O)CCCn1cncn1 ZINC000857522538 645589923 /nfs/dbraw/zinc/58/99/23/645589923.db2.gz KYBCQRSFKOICBA-UHFFFAOYSA-N -1 3 212.253 0.515 20 0 BCADHM NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011808701 645623749 /nfs/dbraw/zinc/62/37/49/645623749.db2.gz CUHLNMLNRLCMNA-UHFFFAOYSA-N -1 3 237.042 0.964 20 0 BCADHM CCCO[N-]C(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC000862103101 645694605 /nfs/dbraw/zinc/69/46/05/645694605.db2.gz BEMTUVGVZURHPB-SFYZADRCSA-N -1 3 214.265 0.359 20 0 BCADHM C[C@H]1CCN(C(=O)c2cc(=O)[n-]cn2)CCO1 ZINC000928527449 645788792 /nfs/dbraw/zinc/78/87/92/645788792.db2.gz QLYQCOGJVAGNPT-QMMMGPOBSA-N -1 3 237.259 0.433 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCn2cccc2C1 ZINC000928957766 645913818 /nfs/dbraw/zinc/91/38/18/645913818.db2.gz SROCCFCNAOIHGF-UHFFFAOYSA-N -1 3 244.254 0.640 20 0 BCADHM CC(C)[S@](C)(=O)=NC(=O)c1cc(=O)[n-]cn1 ZINC000926051450 646565329 /nfs/dbraw/zinc/56/53/29/646565329.db2.gz WPOQUVVJTNQOHG-INIZCTEOSA-N -1 3 243.288 0.829 20 0 BCADHM C[C@@H]1CCN(c2cc(=O)[n-]cn2)CC[S@]1=O ZINC000893488782 711729418 /nfs/dbraw/zinc/72/94/18/711729418.db2.gz XGDIPZDZUFCGNQ-VPTHRUTESA-N -1 3 241.316 0.530 20 0 BCADHM COC(=O)CCN(C/C=C/Cl)CC(=O)[O-] ZINC000715762404 712531962 /nfs/dbraw/zinc/53/19/62/712531962.db2.gz KISAFRAINCDIPJ-DUXPYHPUSA-N -1 3 235.667 0.689 20 0 BCADHM C[C@@H](O)[C@H](O)CNCc1cccc([O-])c1Cl ZINC000717357362 712650302 /nfs/dbraw/zinc/65/03/02/712650302.db2.gz CBOYNCGIFRNNJA-GMSGAONNSA-N -1 3 245.706 0.877 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2C[C@@H](C)CO2)[n-]1 ZINC000718481665 712765531 /nfs/dbraw/zinc/76/55/31/712765531.db2.gz RGIDCFKHWHMXOM-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2C[C@@H](C)CO2)n[n-]1 ZINC000718481665 712765533 /nfs/dbraw/zinc/76/55/33/712765533.db2.gz RGIDCFKHWHMXOM-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2C[C@@H](C)CO2)n1 ZINC000718481665 712765534 /nfs/dbraw/zinc/76/55/34/712765534.db2.gz RGIDCFKHWHMXOM-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@H]2C[C@H](C)CO2)[n-]1 ZINC000718487875 712765554 /nfs/dbraw/zinc/76/55/54/712765554.db2.gz RRGMETMZUCXYJA-NTSWFWBYSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@H]2C[C@H](C)CO2)n[n-]1 ZINC000718487875 712765555 /nfs/dbraw/zinc/76/55/55/712765555.db2.gz RRGMETMZUCXYJA-NTSWFWBYSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2C[C@H](C)CO2)n1 ZINC000718487875 712765557 /nfs/dbraw/zinc/76/55/57/712765557.db2.gz RRGMETMZUCXYJA-NTSWFWBYSA-N -1 3 226.236 0.177 20 0 BCADHM CC1(NC(=O)c2cn[n-]n2)CC(F)(F)C1 ZINC000720931864 712878370 /nfs/dbraw/zinc/87/83/70/712878370.db2.gz SZOBSTOPVPMNEC-UHFFFAOYSA-N -1 3 216.191 0.722 20 0 BCADHM CC(C)O[N-]C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000382148262 710799764 /nfs/dbraw/zinc/79/97/64/710799764.db2.gz CUTJNLRRCPFLOQ-QMMMGPOBSA-N -1 3 229.280 0.233 20 0 BCADHM CC[C@@H](C(=O)N(CC(=O)[O-])CC1CC1)N(C)C ZINC000902008127 710875767 /nfs/dbraw/zinc/87/57/67/710875767.db2.gz TTWKSWLPSAIJRG-JTQLQIEISA-N -1 3 242.319 0.650 20 0 BCADHM O=C([O-])c1cncnc1N[C@@H]1CCN(C2CC2)C1 ZINC000384549398 710915744 /nfs/dbraw/zinc/91/57/44/710915744.db2.gz NVZCBBWTHPOZFO-MRVPVSSYSA-N -1 3 248.286 0.823 20 0 BCADHM COC[C@](C)(O)C[N-]C(=O)C(F)(F)C(F)F ZINC000382552001 710972863 /nfs/dbraw/zinc/97/28/63/710972863.db2.gz HXQRKOUWSFPMSU-SSDOTTSWSA-N -1 3 247.188 0.400 20 0 BCADHM Cc1nc(N2C[C@H](O)C[C@H]2C)cc(=O)[n-]1 ZINC000385113575 711005175 /nfs/dbraw/zinc/00/51/75/711005175.db2.gz WMBPEHRUEZPQIX-HTRCEHHLSA-N -1 3 209.249 0.450 20 0 BCADHM CCOc1nnc(NC(=O)C2(C)CC2)[n-]1 ZINC000389414785 711078746 /nfs/dbraw/zinc/07/87/46/711078746.db2.gz TXQVRXRQGAWUIU-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM CCOc1nc(NC(=O)C2(C)CC2)n[n-]1 ZINC000389414785 711078751 /nfs/dbraw/zinc/07/87/51/711078751.db2.gz TXQVRXRQGAWUIU-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2(C)CC2)n1 ZINC000389414785 711078757 /nfs/dbraw/zinc/07/87/57/711078757.db2.gz TXQVRXRQGAWUIU-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM Cc1n[nH]cc1S(=O)(=O)[N-][C@H](C)C(F)F ZINC000390287091 711111717 /nfs/dbraw/zinc/11/17/17/711111717.db2.gz SAOGXFFBMBKYBB-RXMQYKEDSA-N -1 3 239.247 0.650 20 0 BCADHM Cc1nc(N[C@@H](C)c2ncn(C)n2)cc(=O)[n-]1 ZINC000391906005 711141819 /nfs/dbraw/zinc/14/18/19/711141819.db2.gz JNCPDLURDSICDU-LURJTMIESA-N -1 3 234.263 0.792 20 0 BCADHM CNC(=O)[C@@H]1CCN(c2cc(=O)[n-]c(C)n2)C1 ZINC000398481430 711410912 /nfs/dbraw/zinc/41/09/12/711410912.db2.gz DGGHGSHFOJUXOR-MRVPVSSYSA-N -1 3 236.275 0.063 20 0 BCADHM C[C@@H]1C[C@H](CO)CN(c2cc(=O)[n-]cn2)C1 ZINC000398631171 711413861 /nfs/dbraw/zinc/41/38/61/711413861.db2.gz PFFWWFJMVFGDGS-BDAKNGLRSA-N -1 3 223.276 0.637 20 0 BCADHM CN(C[C@H]1CCOC1)c1cc(=O)[n-]cn1 ZINC000398922363 711416956 /nfs/dbraw/zinc/41/69/56/711416956.db2.gz VIYSIENGDHIQCV-MRVPVSSYSA-N -1 3 209.249 0.655 20 0 BCADHM CCc1nnc(CNc2cc(=O)[n-]cn2)[nH]1 ZINC000392441913 711146420 /nfs/dbraw/zinc/14/64/20/711146420.db2.gz BDZIRTBWAAWNFL-UHFFFAOYSA-N -1 3 220.236 0.475 20 0 BCADHM COC(C)(C)[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC000392360405 711145044 /nfs/dbraw/zinc/14/50/44/711145044.db2.gz APNYKFVWFQXXSU-LURJTMIESA-N -1 3 214.269 0.413 20 0 BCADHM O=c1cc(N[C@@H]2CC23CC(O)C3)nc[n-]1 ZINC000724963149 711637944 /nfs/dbraw/zinc/63/79/44/711637944.db2.gz RSQYEMLQWFRVQR-PRZNWYJVSA-N -1 3 207.233 0.508 20 0 BCADHM COc1ccccc1NC(=O)CO[N-]C(C)=O ZINC000178192856 711676271 /nfs/dbraw/zinc/67/62/71/711676271.db2.gz DGEHEAZSNMCMJT-UHFFFAOYSA-N -1 3 238.243 0.701 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000782611818 711677377 /nfs/dbraw/zinc/67/73/77/711677377.db2.gz FIIRIZDLGYRUMP-TVQRCGJNSA-N -1 3 249.314 0.559 20 0 BCADHM Cc1nc(N2CCN3C(=O)CC[C@@H]3C2)cc(=O)[n-]1 ZINC000162893115 711680882 /nfs/dbraw/zinc/68/08/82/711680882.db2.gz WIBZDUGXHBDTMY-SECBINFHSA-N -1 3 248.286 0.302 20 0 BCADHM C[C@@H]1CCN(c2cc(=O)[n-]cn2)C[C@H]1CO ZINC000700418795 711992957 /nfs/dbraw/zinc/99/29/57/711992957.db2.gz NTTRMTLBESLGIP-BDAKNGLRSA-N -1 3 223.276 0.637 20 0 BCADHM CC(C)N1CC[C@H](Nc2cc(=O)[n-]cn2)C1=O ZINC000708973840 712203997 /nfs/dbraw/zinc/20/39/97/712203997.db2.gz BRPGWYXKZSRMMY-QMMMGPOBSA-N -1 3 236.275 0.603 20 0 BCADHM Cc1nc(N(C)[C@H]2CCN(C)C2=O)cc(=O)[n-]1 ZINC000708512818 712212241 /nfs/dbraw/zinc/21/22/41/712212241.db2.gz WGOUQBGUFZKKNF-QMMMGPOBSA-N -1 3 236.275 0.158 20 0 BCADHM C#CC[N-]S(=O)(=O)c1cnc(OC)s1 ZINC000379570814 712388071 /nfs/dbraw/zinc/38/80/71/712388071.db2.gz GZPIEFSTWVIMNZ-UHFFFAOYSA-N -1 3 232.286 0.063 20 0 BCADHM CCN1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000712294587 712395481 /nfs/dbraw/zinc/39/54/81/712395481.db2.gz UCYQFBOMBCANFK-SECBINFHSA-N -1 3 235.287 0.611 20 0 BCADHM CCOCCO[N-]C(=O)CC(C)(C)O ZINC000792333222 712423093 /nfs/dbraw/zinc/42/30/93/712423093.db2.gz PXKOEWZFDJGBDM-UHFFFAOYSA-N -1 3 205.254 0.232 20 0 BCADHM CO[C@H](C)C[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000712754228 712449120 /nfs/dbraw/zinc/44/91/20/712449120.db2.gz SQCVJOMHKXIVGG-MRVPVSSYSA-N -1 3 245.304 0.098 20 0 BCADHM CC[C@H](C)[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000712752855 712449465 /nfs/dbraw/zinc/44/94/65/712449465.db2.gz MSJZTSBGCTZPPB-ZETCQYMHSA-N -1 3 229.305 0.862 20 0 BCADHM O=C(NC12CCN(CC1)C2)c1cncc([O-])c1 ZINC000715501601 712523969 /nfs/dbraw/zinc/52/39/69/712523969.db2.gz ACSTXACSHOKRTK-UHFFFAOYSA-N -1 3 233.271 0.365 20 0 BCADHM CO[C@@H](C)CN(C)c1cc(=O)[n-]c(C)n1 ZINC000379917959 712626757 /nfs/dbraw/zinc/62/67/57/712626757.db2.gz QIOJWLSIJLMZBV-ZETCQYMHSA-N -1 3 211.265 0.962 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@@H](O)[C@@H](C)O ZINC000717412758 712656535 /nfs/dbraw/zinc/65/65/35/712656535.db2.gz NMKCQLPCZDWOKY-PSASIEDQSA-N -1 3 239.271 0.172 20 0 BCADHM COc1ccc(C(=O)N[C@]23C[C@H]2COC3)c([O-])c1 ZINC000718087679 712741982 /nfs/dbraw/zinc/74/19/82/712741982.db2.gz RTJUNYSNPFQNAE-SDBXPKJASA-N -1 3 249.266 0.920 20 0 BCADHM C[C@H]1CCN(c2cc(=O)[n-]cn2)CCO1 ZINC000720433120 712842310 /nfs/dbraw/zinc/84/23/10/712842310.db2.gz BKQQYBBEWJKARY-QMMMGPOBSA-N -1 3 209.249 0.797 20 0 BCADHM CCCCCN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000408145928 136210980 /nfs/dbraw/zinc/21/09/80/136210980.db2.gz VYSFZVIQQFOWDM-SECBINFHSA-N -1 3 225.292 0.413 20 0 BCADHM CSCC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000602194625 349472299 /nfs/dbraw/zinc/47/22/99/349472299.db2.gz JQKNIJFMOBPJKN-UHFFFAOYSA-N -1 3 239.300 0.696 20 0 BCADHM COc1nnc(NC(=O)c2coc(C)c2)[n-]1 ZINC000161564826 349473546 /nfs/dbraw/zinc/47/35/46/349473546.db2.gz AOEQWDXOGHMYKC-UHFFFAOYSA-N -1 3 222.204 0.967 20 0 BCADHM COc1nc(NC(=O)c2coc(C)c2)n[n-]1 ZINC000161564826 349473547 /nfs/dbraw/zinc/47/35/47/349473547.db2.gz AOEQWDXOGHMYKC-UHFFFAOYSA-N -1 3 222.204 0.967 20 0 BCADHM COc1n[n-]c(NC(=O)c2coc(C)c2)n1 ZINC000161564826 349473549 /nfs/dbraw/zinc/47/35/49/349473549.db2.gz AOEQWDXOGHMYKC-UHFFFAOYSA-N -1 3 222.204 0.967 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)CCO)n1 ZINC000649870224 398156932 /nfs/dbraw/zinc/15/69/32/398156932.db2.gz XTGPICQZHZBFQH-VIFPVBQESA-N -1 3 239.319 0.947 20 0 BCADHM COCCNCC(=O)Nc1cc(F)ccc1[O-] ZINC000649373629 398183255 /nfs/dbraw/zinc/18/32/55/398183255.db2.gz LCBGXVZSKALJDP-UHFFFAOYSA-N -1 3 242.250 0.706 20 0 BCADHM CCC[C@@H](O)CNC(=O)Cc1cncc([O-])c1 ZINC000576359612 365576766 /nfs/dbraw/zinc/57/67/66/365576766.db2.gz JLFSTCYLGKLICU-SNVBAGLBSA-N -1 3 238.287 0.607 20 0 BCADHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000334977591 398237313 /nfs/dbraw/zinc/23/73/13/398237313.db2.gz WUENUZQXBXCRAG-NKWVEPMBSA-N -1 3 247.345 0.440 20 0 BCADHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000334977593 398237333 /nfs/dbraw/zinc/23/73/33/398237333.db2.gz WUENUZQXBXCRAG-RQJHMYQMSA-N -1 3 247.345 0.440 20 0 BCADHM CO[C@H](C)[C@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000576597440 365636803 /nfs/dbraw/zinc/63/68/03/365636803.db2.gz SHAWYCXKRJZHNR-DTWKUNHWSA-N -1 3 238.287 0.869 20 0 BCADHM CC(C)CC[C@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000624530638 343996726 /nfs/dbraw/zinc/99/67/26/343996726.db2.gz PZPVKRDHUHDMDZ-SECBINFHSA-N -1 3 249.318 0.935 20 0 BCADHM CO[C@H](C)CN(C)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000343805728 136231423 /nfs/dbraw/zinc/23/14/23/136231423.db2.gz JGHSWLTZWMZPAG-ZCFIWIBFSA-N -1 3 236.279 0.188 20 0 BCADHM O=S(=O)([N-]C[C@H]1C[C@@H](O)C1)c1cccs1 ZINC000625566448 343998900 /nfs/dbraw/zinc/99/89/00/343998900.db2.gz HRWCGJHFQSJVIP-OCAPTIKFSA-N -1 3 247.341 0.797 20 0 BCADHM C[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000080253192 398265244 /nfs/dbraw/zinc/26/52/44/398265244.db2.gz QZLDMUBCHCIFEB-UHFFFAOYSA-N -1 3 233.245 0.283 20 0 BCADHM COc1nnc(NC(=O)[C@@H](C)OCC2CC2)[n-]1 ZINC000179375832 538954742 /nfs/dbraw/zinc/95/47/42/538954742.db2.gz BJBXYPFGBOHZPV-ZCFIWIBFSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@@H](C)OCC2CC2)n[n-]1 ZINC000179375832 538954743 /nfs/dbraw/zinc/95/47/43/538954743.db2.gz BJBXYPFGBOHZPV-ZCFIWIBFSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](C)OCC2CC2)n1 ZINC000179375832 538954744 /nfs/dbraw/zinc/95/47/44/538954744.db2.gz BJBXYPFGBOHZPV-ZCFIWIBFSA-N -1 3 240.263 0.567 20 0 BCADHM CC[C@@H](CO)NC(=O)c1cccc2nn[n-]c21 ZINC000188924481 346851528 /nfs/dbraw/zinc/85/15/28/346851528.db2.gz XLEJAHZZDDAIOY-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM CC[C@@H](CO)NC(=O)c1cccc2[n-]nnc21 ZINC000188924481 346851530 /nfs/dbraw/zinc/85/15/30/346851530.db2.gz XLEJAHZZDDAIOY-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM CC[C@@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC000188924481 346851531 /nfs/dbraw/zinc/85/15/31/346851531.db2.gz XLEJAHZZDDAIOY-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CO[C@H](C)C2)[n-]1 ZINC000162243113 349618605 /nfs/dbraw/zinc/61/86/05/349618605.db2.gz XLOFZTJYSMTXJS-PHDIDXHHSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@H]2CO[C@H](C)C2)n[n-]1 ZINC000162243113 349618607 /nfs/dbraw/zinc/61/86/07/349618607.db2.gz XLOFZTJYSMTXJS-PHDIDXHHSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CO[C@H](C)C2)n1 ZINC000162243113 349618609 /nfs/dbraw/zinc/61/86/09/349618609.db2.gz XLOFZTJYSMTXJS-PHDIDXHHSA-N -1 3 226.236 0.177 20 0 BCADHM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c[n-]nn1 ZINC000403235933 323011179 /nfs/dbraw/zinc/01/11/79/323011179.db2.gz PSHCYAHGUOHVIZ-HLTSFMKQSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cnn[n-]1 ZINC000403235933 323011180 /nfs/dbraw/zinc/01/11/80/323011180.db2.gz PSHCYAHGUOHVIZ-HLTSFMKQSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cn[n-]n1 ZINC000403235933 323011181 /nfs/dbraw/zinc/01/11/81/323011181.db2.gz PSHCYAHGUOHVIZ-HLTSFMKQSA-N -1 3 220.276 0.971 20 0 BCADHM CC(C)[C@H](N)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000040483199 538971804 /nfs/dbraw/zinc/97/18/04/538971804.db2.gz QRTFWMLZUXZSAE-JTQLQIEISA-N -1 3 228.292 0.293 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@H]1CCC[C@@H]1O ZINC000634414911 361934822 /nfs/dbraw/zinc/93/48/22/361934822.db2.gz XKEXZQGQRDGASJ-QWRGUYRKSA-N -1 3 236.271 0.359 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCCc1cnoc1 ZINC000640713375 361954916 /nfs/dbraw/zinc/95/49/16/361954916.db2.gz IHAMXRNHPQJMAA-UHFFFAOYSA-N -1 3 247.254 0.677 20 0 BCADHM CC[C@]1([N-]S(=O)(=O)c2c[nH]cn2)CCOC1 ZINC000382388836 539008988 /nfs/dbraw/zinc/00/89/88/539008988.db2.gz LNTXNWPRTISVNF-VIFPVBQESA-N -1 3 245.304 0.257 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000348846494 136242149 /nfs/dbraw/zinc/24/21/49/136242149.db2.gz YQHQGSMKSFIUQA-SCSAIBSYSA-N -1 3 230.245 0.140 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCc2cn(C)nn2)c1 ZINC000389968725 539019422 /nfs/dbraw/zinc/01/94/22/539019422.db2.gz YQXNHPFHVJQZKK-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CC(C)n1cc(NC(=O)c2cnn[n-]2)cn1 ZINC000082393651 361997408 /nfs/dbraw/zinc/99/74/08/361997408.db2.gz WFXKHXISLCELLB-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM CC(C)n1cc(NC(=O)c2c[n-]nn2)cn1 ZINC000082393651 361997410 /nfs/dbraw/zinc/99/74/10/361997410.db2.gz WFXKHXISLCELLB-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM CC(C)n1cc(NC(=O)c2cn[n-]n2)cn1 ZINC000082393651 361997412 /nfs/dbraw/zinc/99/74/12/361997412.db2.gz WFXKHXISLCELLB-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM Cc1ccc([O-])c(CN2CCNC(=O)CC2)n1 ZINC000093101550 398308493 /nfs/dbraw/zinc/30/84/93/398308493.db2.gz BMTLMSHQJURGST-UHFFFAOYSA-N -1 3 235.287 0.418 20 0 BCADHM CN(C[C@H]1CCCO1)C(=O)c1cc(=O)[n-]cn1 ZINC000625116927 342875129 /nfs/dbraw/zinc/87/51/29/342875129.db2.gz JRUXSCGFKSYIMX-MRVPVSSYSA-N -1 3 237.259 0.433 20 0 BCADHM CO[C@@H](C)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000625102027 342856543 /nfs/dbraw/zinc/85/65/43/342856543.db2.gz IFOPYNXIBDJTBR-ZETCQYMHSA-N -1 3 225.248 0.337 20 0 BCADHM C[C@@H](O)CCN(C)C(=O)c1ccc(O)cc1[O-] ZINC000166980949 398310233 /nfs/dbraw/zinc/31/02/33/398310233.db2.gz ZVIONGFUFSPUQB-MRVPVSSYSA-N -1 3 239.271 0.941 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC[C@H](C)O)c1 ZINC000035108379 342882370 /nfs/dbraw/zinc/88/23/70/342882370.db2.gz WLWRBIDVMJRQNY-QMMMGPOBSA-N -1 3 209.245 0.811 20 0 BCADHM CCS(=O)(=O)[N-][C@@H](C(=O)OC)C(C)C ZINC000035160049 342884310 /nfs/dbraw/zinc/88/43/10/342884310.db2.gz UKKFVCXDXYIIFD-SSDOTTSWSA-N -1 3 223.294 0.123 20 0 BCADHM CC1(C)CCCN[C@@H]1C(=O)NCCCC(=O)[O-] ZINC000232808433 342886321 /nfs/dbraw/zinc/88/63/21/342886321.db2.gz CBAFXRAOKHJVAV-SNVBAGLBSA-N -1 3 242.319 0.746 20 0 BCADHM CC1(C)C[C@@H](NC(=O)c2cc(=O)[n-]cn2)CO1 ZINC000628038278 342890268 /nfs/dbraw/zinc/89/02/68/342890268.db2.gz ZWSPDBKSOHOEAB-SSDOTTSWSA-N -1 3 237.259 0.480 20 0 BCADHM CC(C)(C)CC[C@H](NC(=O)[C@@H]1C[C@@H]1N)C(=O)[O-] ZINC000584004991 342900378 /nfs/dbraw/zinc/90/03/78/342900378.db2.gz DSMCHZGBUPDPII-VGMNWLOBSA-N -1 3 242.319 0.729 20 0 BCADHM CC[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000234036869 342916871 /nfs/dbraw/zinc/91/68/71/342916871.db2.gz VXYJXKTVXMJXQQ-HRDYMLBCSA-N -1 3 228.292 0.435 20 0 BCADHM CN(C)CCn1ncc2cc([O-])ccc2c1=O ZINC000634589204 342935311 /nfs/dbraw/zinc/93/53/11/342935311.db2.gz QWRPHUDONFGNBY-UHFFFAOYSA-N -1 3 233.271 0.664 20 0 BCADHM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](N)CC ZINC000040486117 398330107 /nfs/dbraw/zinc/33/01/07/398330107.db2.gz YAVVJTOPYWDPKK-YUMQZZPRSA-N -1 3 216.281 0.435 20 0 BCADHM CN(C)CCn1[n-]c(-c2ccccn2)cc1=O ZINC000634589533 342936652 /nfs/dbraw/zinc/93/66/52/342936652.db2.gz ASOBOYYDBULGNV-UHFFFAOYSA-N -1 3 232.287 0.580 20 0 BCADHM O=S(=O)([N-][C@@H]1C=CCCC1)c1c[nH]cn1 ZINC000127828891 398332650 /nfs/dbraw/zinc/33/26/50/398332650.db2.gz AKLSWXOOGYUDSF-MRVPVSSYSA-N -1 3 227.289 0.797 20 0 BCADHM Cc1c(-c2cnccn2)[n-]n(CCN(C)C)c1=O ZINC000634589973 342937219 /nfs/dbraw/zinc/93/72/19/342937219.db2.gz NRAHIZKULCVFJM-SECBINFHSA-N -1 3 247.302 0.221 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C(C)(C)CF)c1 ZINC000351770645 136253159 /nfs/dbraw/zinc/25/31/59/136253159.db2.gz FDWJJROOSKMOKE-UHFFFAOYSA-N -1 3 249.311 0.929 20 0 BCADHM COC(=O)CNC(=O)c1ccc(C)cc1[O-] ZINC000019837670 342959099 /nfs/dbraw/zinc/95/90/99/342959099.db2.gz SPEYSTWGWGBHDB-UHFFFAOYSA-N -1 3 223.228 0.603 20 0 BCADHM O=C(c1ccccc1[O-])N1CCC(O)CC1 ZINC000019839441 342959534 /nfs/dbraw/zinc/95/95/34/342959534.db2.gz WAKSYTHKGOBOEK-UHFFFAOYSA-N -1 3 221.256 0.989 20 0 BCADHM Cc1[n-]n(-c2nc[nH]n2)c(=O)c1C1CC1 ZINC000634607986 343003539 /nfs/dbraw/zinc/00/35/39/343003539.db2.gz NOADYVCYABHQBQ-ZETCQYMHSA-N -1 3 205.221 0.553 20 0 BCADHM C[C@H](NC(=O)[C@@H]1NCCCC1(C)C)C(=O)[O-] ZINC000235519431 343048275 /nfs/dbraw/zinc/04/82/75/343048275.db2.gz RLWOKDYITVEDAA-YUMQZZPRSA-N -1 3 228.292 0.354 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCCn1cccc1 ZINC000576847282 365703960 /nfs/dbraw/zinc/70/39/60/365703960.db2.gz MNLCYPRDVSBARD-UHFFFAOYSA-N -1 3 245.282 0.948 20 0 BCADHM CNC(=O)COc1ccc2c([O-])coc2c1C ZINC000634560377 362048807 /nfs/dbraw/zinc/04/88/07/362048807.db2.gz GHOOWAVOYMOXKR-UHFFFAOYSA-N -1 3 235.239 0.695 20 0 BCADHM Cc1c2occ([O-])c2ccc1OCCO ZINC000634560736 362049142 /nfs/dbraw/zinc/04/91/42/362049142.db2.gz WKEMNKGRAXTUJE-UHFFFAOYSA-N -1 3 208.213 0.941 20 0 BCADHM CCCN(CC(=O)[O-])C[C@H](O)C(F)(F)F ZINC000082681322 362100056 /nfs/dbraw/zinc/10/00/56/362100056.db2.gz PVWCIKFDUNPMHE-LURJTMIESA-N -1 3 229.198 0.706 20 0 BCADHM CCN(CC(=O)[O-])C[C@@H](O)C(F)(F)F ZINC000082681321 362100220 /nfs/dbraw/zinc/10/02/20/362100220.db2.gz ZVTCGGBQVMGTKZ-RXMQYKEDSA-N -1 3 215.171 0.316 20 0 BCADHM CCOCCN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000576879313 365712663 /nfs/dbraw/zinc/71/26/63/365712663.db2.gz FROULNYKMVMZSZ-LLVKDONJSA-N -1 3 245.319 0.979 20 0 BCADHM O=C([O-])c1cnccc1N1CCC(CO)CC1 ZINC000125936625 343168577 /nfs/dbraw/zinc/16/85/77/343168577.db2.gz KGNUTTRXPUJVAH-UHFFFAOYSA-N -1 3 236.271 0.989 20 0 BCADHM COCCOCCNc1ccncc1C(=O)[O-] ZINC000126114737 343168892 /nfs/dbraw/zinc/16/88/92/343168892.db2.gz SCPGLJBOILOUBW-UHFFFAOYSA-N -1 3 240.259 0.855 20 0 BCADHM Cn1cnc(CCNc2ccncc2C(=O)[O-])n1 ZINC000126341208 343169520 /nfs/dbraw/zinc/16/95/20/343169520.db2.gz PFTLYOJGQIOGOQ-UHFFFAOYSA-N -1 3 247.258 0.563 20 0 BCADHM O=C(NCCCOCC1CC1)c1c[n-]nn1 ZINC000088330293 259355209 /nfs/dbraw/zinc/35/52/09/259355209.db2.gz QPEVFRWJUBMBQL-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM O=C(NCCCOCC1CC1)c1cnn[n-]1 ZINC000088330293 259355210 /nfs/dbraw/zinc/35/52/10/259355210.db2.gz QPEVFRWJUBMBQL-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM O=C(NCCCOCC1CC1)c1cn[n-]n1 ZINC000088330293 259355211 /nfs/dbraw/zinc/35/52/11/259355211.db2.gz QPEVFRWJUBMBQL-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM CN1CCC[C@@H](NC(=O)c2cc(=O)[n-]cn2)C1 ZINC000625297332 343225564 /nfs/dbraw/zinc/22/55/64/343225564.db2.gz LFDGLCXIAALRGV-MRVPVSSYSA-N -1 3 236.275 0.006 20 0 BCADHM CCCC[C@H](NC(=O)C1(N)CCC1)C(=O)[O-] ZINC000088050721 136284089 /nfs/dbraw/zinc/28/40/89/136284089.db2.gz AIUIVJKPZMWPRO-QMMMGPOBSA-N -1 3 228.292 0.627 20 0 BCADHM Cc1nn(C)c(NC(=O)c2cc(=O)[n-]cn2)c1C ZINC000625346747 343241962 /nfs/dbraw/zinc/24/19/62/343241962.db2.gz BXFHMIWYUDXTBY-UHFFFAOYSA-N -1 3 247.258 0.785 20 0 BCADHM COC(=O)CNC(=O)c1cc(OC)ccc1[O-] ZINC000035218821 343290163 /nfs/dbraw/zinc/29/01/63/343290163.db2.gz CIAMIMIVLQRBFJ-UHFFFAOYSA-N -1 3 239.227 0.304 20 0 BCADHM CCC[C@@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947813 343294519 /nfs/dbraw/zinc/29/45/19/343294519.db2.gz IHYHRSPKYVVHII-SSDOTTSWSA-N -1 3 217.294 0.877 20 0 BCADHM C[C@@H]1CC(NC(=O)c2c[n-]nn2)C[C@@H](C)O1 ZINC000122478580 343372903 /nfs/dbraw/zinc/37/29/03/343372903.db2.gz IFOADRAJDGEQKF-RNFRBKRXSA-N -1 3 224.264 0.491 20 0 BCADHM C[C@@H]1CC(NC(=O)c2cnn[n-]2)C[C@@H](C)O1 ZINC000122478580 343372904 /nfs/dbraw/zinc/37/29/04/343372904.db2.gz IFOADRAJDGEQKF-RNFRBKRXSA-N -1 3 224.264 0.491 20 0 BCADHM C[C@@H]1CC(NC(=O)c2cn[n-]n2)C[C@@H](C)O1 ZINC000122478580 343372906 /nfs/dbraw/zinc/37/29/06/343372906.db2.gz IFOADRAJDGEQKF-RNFRBKRXSA-N -1 3 224.264 0.491 20 0 BCADHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)C(=O)OC ZINC000348837527 136302344 /nfs/dbraw/zinc/30/23/44/136302344.db2.gz BHAKVPKUPNPQEP-RXMQYKEDSA-N -1 3 244.272 0.530 20 0 BCADHM C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC[C@@H]1C ZINC000335672134 136313845 /nfs/dbraw/zinc/31/38/45/136313845.db2.gz LOLZEGBPPPQGIS-IUCAKERBSA-N -1 3 224.308 0.586 20 0 BCADHM CC1(C[N-]S(=O)(=O)c2ccccn2)COC1 ZINC000132030859 343399934 /nfs/dbraw/zinc/39/99/34/343399934.db2.gz JKQCYLVMNVBZJA-UHFFFAOYSA-N -1 3 242.300 0.396 20 0 BCADHM Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)c([O-])c1 ZINC000040413294 343401937 /nfs/dbraw/zinc/40/19/37/343401937.db2.gz QAFCUOTWYKPPFO-VIFPVBQESA-N -1 3 234.255 0.918 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000042272773 343432778 /nfs/dbraw/zinc/43/27/78/343432778.db2.gz PXKNCBJEQCWLEI-MRVPVSSYSA-N -1 3 237.255 0.992 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1CO ZINC000042433501 343436891 /nfs/dbraw/zinc/43/68/91/343436891.db2.gz LDNBLBUNDSVWFB-MRVPVSSYSA-N -1 3 237.255 0.695 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1CO ZINC000042433502 343437078 /nfs/dbraw/zinc/43/70/78/343437078.db2.gz LDNBLBUNDSVWFB-QMMMGPOBSA-N -1 3 237.255 0.695 20 0 BCADHM CN(CCCCO)c1nc2nncc-2c(O)[n-]1 ZINC000350669661 136362388 /nfs/dbraw/zinc/36/23/88/136362388.db2.gz MKBMJUYXXNFHAN-UHFFFAOYSA-N -1 3 237.263 0.267 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)n2cc(CCO)nn2)n1 ZINC000641145804 362238000 /nfs/dbraw/zinc/23/80/00/362238000.db2.gz PBAGAKUYJSUNOQ-MRVPVSSYSA-N -1 3 249.274 0.226 20 0 BCADHM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C ZINC000045109980 343523963 /nfs/dbraw/zinc/52/39/63/343523963.db2.gz DJLMGLDRNWTYBV-QMMMGPOBSA-N -1 3 223.276 0.467 20 0 BCADHM Cn1nncc1CN1C2CCC1(C(=O)[O-])CC2 ZINC000634697758 343645429 /nfs/dbraw/zinc/64/54/29/343645429.db2.gz RGOPWAUZXUIWLS-UHFFFAOYSA-N -1 3 236.275 0.397 20 0 BCADHM CO[C@@H]1CN(CCOC(C)C)[C@](C)(C(=O)[O-])C1 ZINC000634695702 343623791 /nfs/dbraw/zinc/62/37/91/343623791.db2.gz YHQPRDXLQWNMJG-JQWIXIFHSA-N -1 3 245.319 0.975 20 0 BCADHM COC[C@H](NC(=O)c1c[n-]nn1)C(C)C ZINC000083811219 343674136 /nfs/dbraw/zinc/67/41/36/343674136.db2.gz DWZUSBFJTJKHTR-QMMMGPOBSA-N -1 3 212.253 0.206 20 0 BCADHM COC[C@H](NC(=O)c1cnn[n-]1)C(C)C ZINC000083811219 343674138 /nfs/dbraw/zinc/67/41/38/343674138.db2.gz DWZUSBFJTJKHTR-QMMMGPOBSA-N -1 3 212.253 0.206 20 0 BCADHM COC[C@H](NC(=O)c1cn[n-]n1)C(C)C ZINC000083811219 343674140 /nfs/dbraw/zinc/67/41/40/343674140.db2.gz DWZUSBFJTJKHTR-QMMMGPOBSA-N -1 3 212.253 0.206 20 0 BCADHM CCn1cc(CNC2(C(=O)[O-])CCC2)cn1 ZINC000088049644 343698315 /nfs/dbraw/zinc/69/83/15/343698315.db2.gz MQHJCDPENCVXOG-UHFFFAOYSA-N -1 3 223.276 1.000 20 0 BCADHM O=C([O-])[C@H]1CN(CC2CCCC2)CCO1 ZINC000043704846 343708581 /nfs/dbraw/zinc/70/85/81/343708581.db2.gz QYLQEYHYXKNBNQ-SNVBAGLBSA-N -1 3 213.277 0.962 20 0 BCADHM CC(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000048168204 343717209 /nfs/dbraw/zinc/71/72/09/343717209.db2.gz YLQWDUTWUZNFBU-GFCCVEGCSA-N -1 3 247.254 0.700 20 0 BCADHM [O-]c1ccc(Cl)c(CNC(CO)CO)c1 ZINC000625458037 343860288 /nfs/dbraw/zinc/86/02/88/343860288.db2.gz RYMQUJSMVRHEMX-UHFFFAOYSA-N -1 3 231.679 0.488 20 0 BCADHM O=C(NC[C@@H]1CCCOC1)c1cc(=O)[n-]cn1 ZINC000624468058 343894406 /nfs/dbraw/zinc/89/44/06/343894406.db2.gz QMYSJYYHNATWRS-QMMMGPOBSA-N -1 3 237.259 0.339 20 0 BCADHM O=C([O-])c1cnccc1N1CCn2ncnc2C1 ZINC000577066226 365800227 /nfs/dbraw/zinc/80/02/27/365800227.db2.gz MEJXQWFGCCGUQY-UHFFFAOYSA-N -1 3 245.242 0.392 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2c[n-]nn2)[C@@H](C)O1 ZINC000395132046 362268740 /nfs/dbraw/zinc/26/87/40/362268740.db2.gz QPCCSTCFYNSSCA-QYNIQEEDSA-N -1 3 210.237 0.100 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cnn[n-]2)[C@@H](C)O1 ZINC000395132046 362268744 /nfs/dbraw/zinc/26/87/44/362268744.db2.gz QPCCSTCFYNSSCA-QYNIQEEDSA-N -1 3 210.237 0.100 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cn[n-]n2)[C@@H](C)O1 ZINC000395132046 362268748 /nfs/dbraw/zinc/26/87/48/362268748.db2.gz QPCCSTCFYNSSCA-QYNIQEEDSA-N -1 3 210.237 0.100 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cc(=O)[n-]cn1 ZINC000628111271 343964973 /nfs/dbraw/zinc/96/49/73/343964973.db2.gz NVGSDBVYNAKYRQ-DTWKUNHWSA-N -1 3 249.270 0.216 20 0 BCADHM [O-]c1ccc(Cl)c(CN2C[C@H](O)[C@@H](O)C2)c1 ZINC000625713566 344051803 /nfs/dbraw/zinc/05/18/03/344051803.db2.gz KEYKWUJOQYQJAL-QWRGUYRKSA-N -1 3 243.690 0.583 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCCC(N)=O ZINC000625777546 344071945 /nfs/dbraw/zinc/07/19/45/344071945.db2.gz BXBUAFUHLFUQPR-UHFFFAOYSA-N -1 3 222.244 0.306 20 0 BCADHM COC[C@H](NC(=O)c1cc(=O)[n-]cn1)C(C)C ZINC000625797415 344078988 /nfs/dbraw/zinc/07/89/88/344078988.db2.gz QRWRYEVIVQJOCE-VIFPVBQESA-N -1 3 239.275 0.583 20 0 BCADHM CC(C)C[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)[O-] ZINC000040471143 192069224 /nfs/dbraw/zinc/06/92/24/192069224.db2.gz OUXMHEQRQFTCER-UWVGGRQHSA-N -1 3 242.319 0.744 20 0 BCADHM COc1nc(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)n[n-]1 ZINC000632258399 344215447 /nfs/dbraw/zinc/21/54/47/344215447.db2.gz YVWDZXQZQXLMIB-RRKCRQDMSA-N -1 3 240.263 0.565 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)[n-]1 ZINC000632258399 344215448 /nfs/dbraw/zinc/21/54/48/344215448.db2.gz YVWDZXQZQXLMIB-RRKCRQDMSA-N -1 3 240.263 0.565 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)n1 ZINC000632258399 344215450 /nfs/dbraw/zinc/21/54/50/344215450.db2.gz YVWDZXQZQXLMIB-RRKCRQDMSA-N -1 3 240.263 0.565 20 0 BCADHM COc1nc(NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)n[n-]1 ZINC000632258398 344215650 /nfs/dbraw/zinc/21/56/50/344215650.db2.gz YVWDZXQZQXLMIB-LYFYHCNISA-N -1 3 240.263 0.565 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)[n-]1 ZINC000632258398 344215653 /nfs/dbraw/zinc/21/56/53/344215653.db2.gz YVWDZXQZQXLMIB-LYFYHCNISA-N -1 3 240.263 0.565 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)n1 ZINC000632258398 344215656 /nfs/dbraw/zinc/21/56/56/344215656.db2.gz YVWDZXQZQXLMIB-LYFYHCNISA-N -1 3 240.263 0.565 20 0 BCADHM O=C(C[C@@H]1CCCCO1)NN=c1cccn[n-]1 ZINC000088381293 344239894 /nfs/dbraw/zinc/23/98/94/344239894.db2.gz WFQXFSIVWOMFDN-VIFPVBQESA-N -1 3 236.275 0.879 20 0 BCADHM COC1CN(C(=O)Cc2cncc([O-])c2)C1 ZINC000570739323 323069098 /nfs/dbraw/zinc/06/90/98/323069098.db2.gz SSFXSWUDDVUXTM-UHFFFAOYSA-N -1 3 222.244 0.187 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@@H]3COC[C@@H]3C2)n1 ZINC000634779703 344317010 /nfs/dbraw/zinc/31/70/10/344317010.db2.gz BQOUNSDGCMQARG-AOOOYVTPSA-N -1 3 249.314 0.823 20 0 BCADHM CSCCN1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000600674545 344354091 /nfs/dbraw/zinc/35/40/91/344354091.db2.gz NVJUBJYFWDHEKZ-UHFFFAOYSA-N -1 3 246.376 0.830 20 0 BCADHM CCC1(O)CN(C(=O)c2cccc([O-])c2)C1 ZINC000084357808 344422378 /nfs/dbraw/zinc/42/23/78/344422378.db2.gz FJCLYJUHPRLLPV-UHFFFAOYSA-N -1 3 221.256 0.989 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)C1CC2(CC2)C1 ZINC000622868725 344436265 /nfs/dbraw/zinc/43/62/65/344436265.db2.gz YQHYJSZLHADNSZ-UHFFFAOYSA-N -1 3 235.247 0.032 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)C1CC2(CC2)C1 ZINC000622868725 344436267 /nfs/dbraw/zinc/43/62/67/344436267.db2.gz YQHYJSZLHADNSZ-UHFFFAOYSA-N -1 3 235.247 0.032 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)C1CC2(CC2)C1 ZINC000622868725 344436269 /nfs/dbraw/zinc/43/62/69/344436269.db2.gz YQHYJSZLHADNSZ-UHFFFAOYSA-N -1 3 235.247 0.032 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000622882991 344444708 /nfs/dbraw/zinc/44/47/08/344444708.db2.gz IUQJBCCASDQRSZ-ZMONIFLSSA-N -1 3 249.274 0.149 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000622882991 344444709 /nfs/dbraw/zinc/44/47/09/344444709.db2.gz IUQJBCCASDQRSZ-ZMONIFLSSA-N -1 3 249.274 0.149 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000622882991 344444711 /nfs/dbraw/zinc/44/47/11/344444711.db2.gz IUQJBCCASDQRSZ-ZMONIFLSSA-N -1 3 249.274 0.149 20 0 BCADHM OCc1nc(SCn2cc(Cl)cn2)n[n-]1 ZINC000641476719 362445267 /nfs/dbraw/zinc/44/52/67/362445267.db2.gz PBEGEAHMSQEALE-UHFFFAOYSA-N -1 3 245.695 0.897 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000625947839 344583851 /nfs/dbraw/zinc/58/38/51/344583851.db2.gz FXDDPMBJCBVTET-OCAPTIKFSA-N -1 3 235.243 0.186 20 0 BCADHM CC1(CNC(=O)c2cc(=O)[n-]cn2)CC1 ZINC000625982405 344650148 /nfs/dbraw/zinc/65/01/48/344650148.db2.gz YJXRIOICPKAXBE-UHFFFAOYSA-N -1 3 207.233 0.712 20 0 BCADHM COc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]2O)c1 ZINC000425061925 192073192 /nfs/dbraw/zinc/07/31/92/192073192.db2.gz RKTLQXKKEMNULE-MWLCHTKSSA-N -1 3 237.255 0.654 20 0 BCADHM C[C@@H](O)CCN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000625973958 344640661 /nfs/dbraw/zinc/64/06/61/344640661.db2.gz YRJITDVAQKAAJJ-SSDOTTSWSA-N -1 3 225.248 0.025 20 0 BCADHM C[C@@H](CN1CCCCC1)NC(=O)C(=O)[O-] ZINC000049503170 344642525 /nfs/dbraw/zinc/64/25/25/344642525.db2.gz BETYJVVGORVGDD-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM CC[C@@H]1CN(c2ccncc2C(=O)[O-])C[C@H]1O ZINC000400473014 344734023 /nfs/dbraw/zinc/73/40/23/344734023.db2.gz YRMGVLRKWGVLHU-LDYMZIIASA-N -1 3 236.271 0.987 20 0 BCADHM COC(C)(C)C[N-]S(=O)(=O)c1ccccn1 ZINC000133014155 344692793 /nfs/dbraw/zinc/69/27/93/344692793.db2.gz IJIJLFADQJCSIA-UHFFFAOYSA-N -1 3 244.316 0.785 20 0 BCADHM Cc1nnc(CSCCc2nnn[n-]2)[nH]1 ZINC000603339800 349916664 /nfs/dbraw/zinc/91/66/64/349916664.db2.gz FSAKGVCJMIQRID-UHFFFAOYSA-N -1 3 225.281 0.102 20 0 BCADHM Cc1nnc(CSCCc2nn[n-]n2)[nH]1 ZINC000603339800 349916666 /nfs/dbraw/zinc/91/66/66/349916666.db2.gz FSAKGVCJMIQRID-UHFFFAOYSA-N -1 3 225.281 0.102 20 0 BCADHM OCCCCSCCc1nnn[n-]1 ZINC000603341308 349919293 /nfs/dbraw/zinc/91/92/93/349919293.db2.gz YQDBYNBSPTXYJH-UHFFFAOYSA-N -1 3 202.283 0.248 20 0 BCADHM OCCCCSCCc1nn[n-]n1 ZINC000603341308 349919297 /nfs/dbraw/zinc/91/92/97/349919297.db2.gz YQDBYNBSPTXYJH-UHFFFAOYSA-N -1 3 202.283 0.248 20 0 BCADHM CS[C@H](C)C(=O)NN=c1cccn[n-]1 ZINC000077028654 344812749 /nfs/dbraw/zinc/81/27/49/344812749.db2.gz UKEISVXTVSILNX-ZCFIWIBFSA-N -1 3 212.278 0.671 20 0 BCADHM CS[C@@H](C)C(=O)NN=c1cccn[n-]1 ZINC000077028648 344812835 /nfs/dbraw/zinc/81/28/35/344812835.db2.gz UKEISVXTVSILNX-LURJTMIESA-N -1 3 212.278 0.671 20 0 BCADHM CO[N-]C(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000076305273 344800842 /nfs/dbraw/zinc/80/08/42/344800842.db2.gz SMYMPDDPWLRCKQ-UHFFFAOYSA-N -1 3 234.299 0.763 20 0 BCADHM O=C(CN1CCCNC1=O)Nc1ccccc1[O-] ZINC000078939878 344922329 /nfs/dbraw/zinc/92/23/29/344922329.db2.gz XDGAWPWRIKATGG-UHFFFAOYSA-N -1 3 249.270 0.746 20 0 BCADHM CCc1[nH]nc(NC(=O)c2cnn[n-]2)c1C ZINC000153734760 344963176 /nfs/dbraw/zinc/96/31/76/344963176.db2.gz BGZRFIOPUQCEKM-UHFFFAOYSA-N -1 3 220.236 0.651 20 0 BCADHM CCc1[nH]nc(NC(=O)c2c[n-]nn2)c1C ZINC000153734760 344963177 /nfs/dbraw/zinc/96/31/77/344963177.db2.gz BGZRFIOPUQCEKM-UHFFFAOYSA-N -1 3 220.236 0.651 20 0 BCADHM CCc1[nH]nc(NC(=O)c2cn[n-]n2)c1C ZINC000153734760 344963179 /nfs/dbraw/zinc/96/31/79/344963179.db2.gz BGZRFIOPUQCEKM-UHFFFAOYSA-N -1 3 220.236 0.651 20 0 BCADHM O=S(=O)([N-][C@@H]1CC[C@H]1O)c1cncc(F)c1 ZINC000425202509 192082938 /nfs/dbraw/zinc/08/29/38/192082938.db2.gz CFKRIXHZNCVZGR-RKDXNWHRSA-N -1 3 246.263 0.022 20 0 BCADHM C[C@@H](C(=O)[O-])C(=O)N[C@@H](C)CN1CCCCC1 ZINC000122056135 344947138 /nfs/dbraw/zinc/94/71/38/344947138.db2.gz KSZUXDPANZXUFH-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM CCC(CC)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000069091899 362507765 /nfs/dbraw/zinc/50/77/65/362507765.db2.gz AGPVECDMBPCXDZ-UHFFFAOYSA-N -1 3 231.321 0.887 20 0 BCADHM CC[C@@H](O)CC(=O)NCc1ncccc1[O-] ZINC000622570588 345251667 /nfs/dbraw/zinc/25/16/67/345251667.db2.gz IYOXHGKPNZWVQD-MRVPVSSYSA-N -1 3 224.260 0.564 20 0 BCADHM CCOC(=O)CSCCc1nnn[n-]1 ZINC000603335113 349926351 /nfs/dbraw/zinc/92/63/51/349926351.db2.gz SERUWBPCOMOCRE-UHFFFAOYSA-N -1 3 216.266 0.039 20 0 BCADHM CCOC(=O)CSCCc1nn[n-]n1 ZINC000603335113 349926353 /nfs/dbraw/zinc/92/63/53/349926353.db2.gz SERUWBPCOMOCRE-UHFFFAOYSA-N -1 3 216.266 0.039 20 0 BCADHM CCCCN(CC)CC(=O)NCC(=O)[O-] ZINC000032024281 345421883 /nfs/dbraw/zinc/42/18/83/345421883.db2.gz BNENYPQSKWILEU-UHFFFAOYSA-N -1 3 216.281 0.309 20 0 BCADHM CCOC(=O)[C@H](C)SCCc1nnn[n-]1 ZINC000603338259 349928509 /nfs/dbraw/zinc/92/85/09/349928509.db2.gz HPNOPRASBPYIGK-LURJTMIESA-N -1 3 230.293 0.427 20 0 BCADHM CCOC(=O)[C@H](C)SCCc1nn[n-]n1 ZINC000603338259 349928511 /nfs/dbraw/zinc/92/85/11/349928511.db2.gz HPNOPRASBPYIGK-LURJTMIESA-N -1 3 230.293 0.427 20 0 BCADHM CC[C@@H](C)NC(=O)CSCCc1nnn[n-]1 ZINC000603338772 349929465 /nfs/dbraw/zinc/92/94/65/349929465.db2.gz WYZNHDRVTUZQGI-SSDOTTSWSA-N -1 3 243.336 0.390 20 0 BCADHM CC[C@@H](C)NC(=O)CSCCc1nn[n-]n1 ZINC000603338772 349929467 /nfs/dbraw/zinc/92/94/67/349929467.db2.gz WYZNHDRVTUZQGI-SSDOTTSWSA-N -1 3 243.336 0.390 20 0 BCADHM CC[C@H](CSCCc1nnn[n-]1)OC ZINC000603339511 349930201 /nfs/dbraw/zinc/93/02/01/349930201.db2.gz DPJDJPDKVXIFEQ-SSDOTTSWSA-N -1 3 216.310 0.900 20 0 BCADHM CC[C@H](CSCCc1nn[n-]n1)OC ZINC000603339511 349930204 /nfs/dbraw/zinc/93/02/04/349930204.db2.gz DPJDJPDKVXIFEQ-SSDOTTSWSA-N -1 3 216.310 0.900 20 0 BCADHM O=C(CSCCc1nnn[n-]1)NCC1CC1 ZINC000603339071 349928676 /nfs/dbraw/zinc/92/86/76/349928676.db2.gz PQZAQWZNJGHSPD-UHFFFAOYSA-N -1 3 241.320 0.002 20 0 BCADHM O=C(CSCCc1nn[n-]n1)NCC1CC1 ZINC000603339071 349928679 /nfs/dbraw/zinc/92/86/79/349928679.db2.gz PQZAQWZNJGHSPD-UHFFFAOYSA-N -1 3 241.320 0.002 20 0 BCADHM CC[C@@H](C)[C@H](O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000626120351 345509063 /nfs/dbraw/zinc/50/90/63/345509063.db2.gz AEERYOBVIDDJFK-VXNVDRBHSA-N -1 3 239.275 0.319 20 0 BCADHM O=C(N[C@H](CO)CC1CC1)c1csc(=O)[n-]1 ZINC000684295209 488288138 /nfs/dbraw/zinc/28/81/38/488288138.db2.gz ZGEYSLDQORDOPX-ZETCQYMHSA-N -1 3 242.300 0.740 20 0 BCADHM O=c1[n-]c(CN2CC[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000091552525 345597157 /nfs/dbraw/zinc/59/71/57/345597157.db2.gz QGZSQUMQDWINIY-IUCAKERBSA-N -1 3 222.292 0.863 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)CCCF)C(F)F ZINC000641701112 362611366 /nfs/dbraw/zinc/61/13/66/362611366.db2.gz DGDQDNHXXOFICP-RXMQYKEDSA-N -1 3 219.228 0.919 20 0 BCADHM COC[C@H](C)CS(=O)(=O)[N-][C@@H](C)C(F)F ZINC000641701736 362614043 /nfs/dbraw/zinc/61/40/43/362614043.db2.gz JQFVHRWYFGVTAH-BQBZGAKWSA-N -1 3 245.291 0.842 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)C(F)F ZINC000641729865 362645806 /nfs/dbraw/zinc/64/58/06/362645806.db2.gz MPWQXHDYHMLMCW-BYPYZUCNSA-N -1 3 213.191 0.792 20 0 BCADHM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)N)c1 ZINC000116051011 345676947 /nfs/dbraw/zinc/67/69/47/345676947.db2.gz OMVOYNUUSMKGHH-ZCFIWIBFSA-N -1 3 238.243 0.465 20 0 BCADHM c1ccc(N2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000095236831 345684110 /nfs/dbraw/zinc/68/41/10/345684110.db2.gz PKVXNMJOTWPWPU-UHFFFAOYSA-N -1 3 231.259 0.703 20 0 BCADHM c1ccc(N2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000095236831 345684111 /nfs/dbraw/zinc/68/41/11/345684111.db2.gz PKVXNMJOTWPWPU-UHFFFAOYSA-N -1 3 231.259 0.703 20 0 BCADHM O=C1CCCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC000095220515 345684302 /nfs/dbraw/zinc/68/43/02/345684302.db2.gz SRAJDHQRKAMPIL-UHFFFAOYSA-N -1 3 243.270 0.989 20 0 BCADHM O=C1CCCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC000095220515 345684303 /nfs/dbraw/zinc/68/43/03/345684303.db2.gz SRAJDHQRKAMPIL-UHFFFAOYSA-N -1 3 243.270 0.989 20 0 BCADHM c1cnn(-c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000095252151 345685014 /nfs/dbraw/zinc/68/50/14/345685014.db2.gz PPBIEQUQUNQNHO-UHFFFAOYSA-N -1 3 213.204 0.447 20 0 BCADHM c1cnn(-c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000095252151 345685015 /nfs/dbraw/zinc/68/50/15/345685015.db2.gz PPBIEQUQUNQNHO-UHFFFAOYSA-N -1 3 213.204 0.447 20 0 BCADHM COCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000095316695 345685758 /nfs/dbraw/zinc/68/57/58/345685758.db2.gz DWPIBWYQTWKHRO-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM COCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000095316695 345685760 /nfs/dbraw/zinc/68/57/60/345685760.db2.gz DWPIBWYQTWKHRO-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM CCOC(=O)c1ccc([N-]S(C)(=O)=O)cn1 ZINC000215685348 345742550 /nfs/dbraw/zinc/74/25/50/345742550.db2.gz DLZFBAGXWYOUMQ-UHFFFAOYSA-N -1 3 244.272 0.630 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C(C)(C)C)n1 ZINC000145582957 345711626 /nfs/dbraw/zinc/71/16/26/345711626.db2.gz UZRWAIHJBGROGR-UHFFFAOYSA-N -1 3 217.294 0.497 20 0 BCADHM Cc1ccc([O-])c(CNCc2cn(C)nn2)n1 ZINC000389837720 537916440 /nfs/dbraw/zinc/91/64/40/537916440.db2.gz RCUWNRCYRBMEPI-UHFFFAOYSA-N -1 3 233.275 0.514 20 0 BCADHM Cc1cc(C)nc(N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC000095331645 346038178 /nfs/dbraw/zinc/03/81/78/346038178.db2.gz NSAZPHCVODXRAL-ZETCQYMHSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1cc(C)nc(N(C)C[C@H](C)c2nn[n-]n2)n1 ZINC000095331645 346038180 /nfs/dbraw/zinc/03/81/80/346038180.db2.gz NSAZPHCVODXRAL-ZETCQYMHSA-N -1 3 247.306 0.846 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@H]1C[C@@H](O)C1 ZINC000635877220 346096681 /nfs/dbraw/zinc/09/66/81/346096681.db2.gz LJBANTCKGSNTFZ-OCAPTIKFSA-N -1 3 222.244 0.174 20 0 BCADHM CN1CC[C@@](C)(C(=O)Nc2ncccc2[O-])C1=O ZINC000635791388 346063712 /nfs/dbraw/zinc/06/37/12/346063712.db2.gz PVJZCXZPIYENKG-LBPRGKRZSA-N -1 3 249.270 0.594 20 0 BCADHM C[C@]1(C(=O)Nc2ncccc2[O-])CCNC1=O ZINC000635791844 346063853 /nfs/dbraw/zinc/06/38/53/346063853.db2.gz YRVYHUMQGLJBFD-NSHDSACASA-N -1 3 235.243 0.252 20 0 BCADHM Cc1cccc(C(=O)N(C)CCO)c1[O-] ZINC000037853898 179003964 /nfs/dbraw/zinc/00/39/64/179003964.db2.gz QMSKHYHDVRCDOK-UHFFFAOYSA-N -1 3 209.245 0.765 20 0 BCADHM CC1(C)[C@@H](NC(=O)c2c[n-]nn2)[C@H]2CCO[C@@H]21 ZINC000151111491 346215871 /nfs/dbraw/zinc/21/58/71/346215871.db2.gz IXDLRFJBPLUHNC-YEPSODPASA-N -1 3 236.275 0.348 20 0 BCADHM CC1(C)[C@@H](NC(=O)c2cnn[n-]2)[C@H]2CCO[C@@H]21 ZINC000151111491 346215874 /nfs/dbraw/zinc/21/58/74/346215874.db2.gz IXDLRFJBPLUHNC-YEPSODPASA-N -1 3 236.275 0.348 20 0 BCADHM CC1(C)[C@@H](NC(=O)c2cn[n-]n2)[C@H]2CCO[C@@H]21 ZINC000151111491 346215878 /nfs/dbraw/zinc/21/58/78/346215878.db2.gz IXDLRFJBPLUHNC-YEPSODPASA-N -1 3 236.275 0.348 20 0 BCADHM Cc1cccc(C(=O)N2CCNC(=O)[C@@H]2C)c1[O-] ZINC000104889945 179010593 /nfs/dbraw/zinc/01/05/93/179010593.db2.gz CITAGURVTRGUKG-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM Cc1cccc(C(=O)N2CC[C@H](O)C2)c1[O-] ZINC000061704624 179012794 /nfs/dbraw/zinc/01/27/94/179012794.db2.gz ZIBWOPPOAXLRAN-VIFPVBQESA-N -1 3 221.256 0.907 20 0 BCADHM Cc1cccc(C(=O)N[C@H]2CCCNC2=O)c1[O-] ZINC000050225044 179024870 /nfs/dbraw/zinc/02/48/70/179024870.db2.gz FYCVVXDDTNHTBA-JTQLQIEISA-N -1 3 248.282 0.709 20 0 BCADHM CO[C@@H](C)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636283404 346378297 /nfs/dbraw/zinc/37/82/97/346378297.db2.gz JHSIIABMLZIKSM-LURJTMIESA-N -1 3 237.259 0.368 20 0 BCADHM Cc1c[nH]nc1CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000328854580 537971772 /nfs/dbraw/zinc/97/17/72/537971772.db2.gz WLUMSQDKGFJRLV-VIFPVBQESA-N -1 3 249.274 0.294 20 0 BCADHM CO[C@@H]1C[C@H](C(=O)[O-])N(C[C@@H](O)C(C)(C)C)C1 ZINC000574922167 346416716 /nfs/dbraw/zinc/41/67/16/346416716.db2.gz GXMVAKNZXAGFMK-OPRDCNLKSA-N -1 3 245.319 0.567 20 0 BCADHM CCOC(=O)[C@H]([N-]S(=O)(=O)C1CC1)C(C)C ZINC000162124762 346511117 /nfs/dbraw/zinc/51/11/17/346511117.db2.gz YFMQGEGJUOPIIN-SECBINFHSA-N -1 3 249.332 0.656 20 0 BCADHM O=C(NCc1cc[nH]n1)c1cccc2nn[n-]c21 ZINC000187137997 346555869 /nfs/dbraw/zinc/55/58/69/346555869.db2.gz OXIURSJXFCRUOI-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM O=C(NCc1cc[nH]n1)c1cccc2[n-]nnc21 ZINC000187137997 346555872 /nfs/dbraw/zinc/55/58/72/346555872.db2.gz OXIURSJXFCRUOI-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM O=C(NCc1cc[nH]n1)c1cccc2n[n-]nc21 ZINC000187137997 346555875 /nfs/dbraw/zinc/55/58/75/346555875.db2.gz OXIURSJXFCRUOI-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM Cc1cccc([O-])c1NC(=O)CS(C)(=O)=O ZINC000352636788 179159914 /nfs/dbraw/zinc/15/99/14/179159914.db2.gz JFEGYALWDQLVRW-UHFFFAOYSA-N -1 3 243.284 0.684 20 0 BCADHM CN(CCCO)C(=O)c1cc(F)c[n-]c1=O ZINC000622005284 370652537 /nfs/dbraw/zinc/65/25/37/370652537.db2.gz APSSUPSYRIXBLB-UHFFFAOYSA-N -1 3 228.223 0.381 20 0 BCADHM COc1nc(NC(=O)[C@@](C)(O)C(C)C)n[n-]1 ZINC000353789383 187372697 /nfs/dbraw/zinc/37/26/97/187372697.db2.gz OURXQBHBRQWJFG-VIFPVBQESA-N -1 3 228.252 0.159 20 0 BCADHM COc1nnc(NC(=O)[C@@](C)(O)C(C)C)[n-]1 ZINC000353789383 187372698 /nfs/dbraw/zinc/37/26/98/187372698.db2.gz OURXQBHBRQWJFG-VIFPVBQESA-N -1 3 228.252 0.159 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@](C)(O)C(C)C)n1 ZINC000353789383 187372699 /nfs/dbraw/zinc/37/26/99/187372699.db2.gz OURXQBHBRQWJFG-VIFPVBQESA-N -1 3 228.252 0.159 20 0 BCADHM O=C(c1ncccc1[O-])N1CCN2CCC1CC2 ZINC000188821006 347290228 /nfs/dbraw/zinc/29/02/28/347290228.db2.gz GMDGEBRSYMXGON-UHFFFAOYSA-N -1 3 247.298 0.707 20 0 BCADHM COC(=O)CN(C)C(=O)c1cccc(C)c1[O-] ZINC000019967258 347329377 /nfs/dbraw/zinc/32/93/77/347329377.db2.gz FCPDIRXTVZHIIS-UHFFFAOYSA-N -1 3 237.255 0.946 20 0 BCADHM COC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000019837674 347362353 /nfs/dbraw/zinc/36/23/53/347362353.db2.gz RNPKFTDQICBOQY-UHFFFAOYSA-N -1 3 209.201 0.295 20 0 BCADHM Cc1ccccc1C(=O)Nc1[n-]nnc1C(N)=O ZINC000362415567 179252946 /nfs/dbraw/zinc/25/29/46/179252946.db2.gz CKVHYOBOIFLPMC-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM Cc1ccccc1C(=O)Nc1nn[n-]c1C(N)=O ZINC000362415567 179252950 /nfs/dbraw/zinc/25/29/50/179252950.db2.gz CKVHYOBOIFLPMC-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM Cc1ccccc1C(=O)Nc1n[n-]nc1C(N)=O ZINC000362415567 179252951 /nfs/dbraw/zinc/25/29/51/179252951.db2.gz CKVHYOBOIFLPMC-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM CCc1cc(C(=O)N[C@H]2CCNC2=O)ccc1[O-] ZINC000616957278 347530578 /nfs/dbraw/zinc/53/05/78/347530578.db2.gz MNVSWGCHXZJLIS-JTQLQIEISA-N -1 3 248.282 0.573 20 0 BCADHM CC[C@H](C)N(CC)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000616978758 347561162 /nfs/dbraw/zinc/56/11/62/347561162.db2.gz GIGWNHXJCMLKJC-YUMQZZPRSA-N -1 3 241.291 0.232 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCNC2=O)c1 ZINC000616968316 347548055 /nfs/dbraw/zinc/54/80/55/347548055.db2.gz VNWXPIIRTHSYLD-VIFPVBQESA-N -1 3 234.255 0.319 20 0 BCADHM CCOC([O-])=NC(=S)Nc1cnccn1 ZINC000196322032 347867809 /nfs/dbraw/zinc/86/78/09/347867809.db2.gz JFEFFOFOSSUVCX-UHFFFAOYSA-N -1 3 226.261 0.920 20 0 BCADHM CCOC(=O)[N-]C(=S)Nc1cnccn1 ZINC000196322032 347867813 /nfs/dbraw/zinc/86/78/13/347867813.db2.gz JFEFFOFOSSUVCX-UHFFFAOYSA-N -1 3 226.261 0.920 20 0 BCADHM Cc1ccccc1[C@@H](O)CNC(=O)c1c[n-]nn1 ZINC000112398748 179326240 /nfs/dbraw/zinc/32/62/40/179326240.db2.gz VRCHFHPYBSOJPY-NSHDSACASA-N -1 3 246.270 0.577 20 0 BCADHM Cc1ccccc1[C@@H](O)CNC(=O)c1cnn[n-]1 ZINC000112398748 179326241 /nfs/dbraw/zinc/32/62/41/179326241.db2.gz VRCHFHPYBSOJPY-NSHDSACASA-N -1 3 246.270 0.577 20 0 BCADHM Cc1ccccc1[C@@H](O)CNC(=O)c1cn[n-]n1 ZINC000112398748 179326243 /nfs/dbraw/zinc/32/62/43/179326243.db2.gz VRCHFHPYBSOJPY-NSHDSACASA-N -1 3 246.270 0.577 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1CC1(F)F ZINC000594020129 347991393 /nfs/dbraw/zinc/99/13/93/347991393.db2.gz YSZILGRBKQFQCA-BYPYZUCNSA-N -1 3 245.185 0.790 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1CC1(F)F ZINC000594020129 347991395 /nfs/dbraw/zinc/99/13/95/347991395.db2.gz YSZILGRBKQFQCA-BYPYZUCNSA-N -1 3 245.185 0.790 20 0 BCADHM CC(C)(CO)CC[N-]S(=O)(=O)c1ccco1 ZINC000563820766 323179241 /nfs/dbraw/zinc/17/92/41/323179241.db2.gz AXICFEZPHGIKBA-UHFFFAOYSA-N -1 3 247.316 0.967 20 0 BCADHM Cc1cc(CN=c2ncnc3[nH][n-]cc2-3)n[nH]1 ZINC000603494813 349982937 /nfs/dbraw/zinc/98/29/37/349982937.db2.gz OTZHQECRCYUJOU-UHFFFAOYSA-N -1 3 229.247 0.370 20 0 BCADHM Cc1cc(CN=c2ncnc3[nH][n-]cc2-3)[nH]n1 ZINC000603494813 349982940 /nfs/dbraw/zinc/98/29/40/349982940.db2.gz OTZHQECRCYUJOU-UHFFFAOYSA-N -1 3 229.247 0.370 20 0 BCADHM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000328196285 187392139 /nfs/dbraw/zinc/39/21/39/187392139.db2.gz CJTPXUZGQHEXKL-SSDOTTSWSA-N -1 3 245.304 0.256 20 0 BCADHM C[C@H]1[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC000419376452 192132286 /nfs/dbraw/zinc/13/22/86/192132286.db2.gz SZGKONYLPXQFAS-IWSPIJDZSA-N -1 3 224.308 0.585 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1CC12CCOCC2 ZINC000531373266 348470175 /nfs/dbraw/zinc/47/01/75/348470175.db2.gz NENCNENCUIRLKU-SECBINFHSA-N -1 3 248.282 0.964 20 0 BCADHM CC[C@@H](C(=O)Nc1ccncc1[O-])[C@@H](C)O ZINC000419862870 192147449 /nfs/dbraw/zinc/14/74/49/192147449.db2.gz BYGPEACPAZUSMV-HTQZYQBOSA-N -1 3 224.260 0.555 20 0 BCADHM CCOC(=O)c1cc(-c2ccnn2C)[n-]n1 ZINC000596645751 348603610 /nfs/dbraw/zinc/60/36/10/348603610.db2.gz FTBLGAQLIHGWMJ-UHFFFAOYSA-N -1 3 220.232 0.987 20 0 BCADHM CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000095193472 348834226 /nfs/dbraw/zinc/83/42/26/348834226.db2.gz PHPKHDFFWVXOCN-UHFFFAOYSA-N -1 3 244.302 0.619 20 0 BCADHM COc1nc(NC(=O)[C@@]2(C)CC2(F)F)n[n-]1 ZINC000421795844 192383796 /nfs/dbraw/zinc/38/37/96/192383796.db2.gz KQNPPEAYTCYWMS-SSDOTTSWSA-N -1 3 232.190 0.797 20 0 BCADHM COc1nnc(NC(=O)[C@@]2(C)CC2(F)F)[n-]1 ZINC000421795844 192383799 /nfs/dbraw/zinc/38/37/99/192383799.db2.gz KQNPPEAYTCYWMS-SSDOTTSWSA-N -1 3 232.190 0.797 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@]2(C)CC2(F)F)n1 ZINC000421795844 192383802 /nfs/dbraw/zinc/38/38/02/192383802.db2.gz KQNPPEAYTCYWMS-SSDOTTSWSA-N -1 3 232.190 0.797 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCc2c[nH]nc2C1 ZINC000626237230 349228133 /nfs/dbraw/zinc/22/81/33/349228133.db2.gz JNZGDTZGLULEJW-UHFFFAOYSA-N -1 3 245.242 0.104 20 0 BCADHM CS[C@H](C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000599707590 349250565 /nfs/dbraw/zinc/25/05/65/349250565.db2.gz SHGLNORHXBWOOO-ZCFIWIBFSA-N -1 3 227.289 0.664 20 0 BCADHM CC(C)C[C@@H](CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626261754 350035167 /nfs/dbraw/zinc/03/51/67/350035167.db2.gz JEFYGBNHSIWAKZ-QMMMGPOBSA-N -1 3 239.275 0.319 20 0 BCADHM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1c[n-]nn1 ZINC000618509510 350041148 /nfs/dbraw/zinc/04/11/48/350041148.db2.gz VBZUDQLQZKSGME-VGMNWLOBSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cnn[n-]1 ZINC000618509510 350041149 /nfs/dbraw/zinc/04/11/49/350041149.db2.gz VBZUDQLQZKSGME-VGMNWLOBSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cn[n-]n1 ZINC000618509510 350041151 /nfs/dbraw/zinc/04/11/51/350041151.db2.gz VBZUDQLQZKSGME-VGMNWLOBSA-N -1 3 220.276 0.971 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc[nH]c1 ZINC000603888061 350049629 /nfs/dbraw/zinc/04/96/29/350049629.db2.gz FRAWKFHRVSUWKP-VIFPVBQESA-N -1 3 234.259 0.257 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]CC[C@@H](C)F)cn1C ZINC000339035332 180029449 /nfs/dbraw/zinc/02/94/49/180029449.db2.gz WDKUADHMDHBVHZ-SSDOTTSWSA-N -1 3 249.311 0.755 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C1CCC1 ZINC000176054564 180026381 /nfs/dbraw/zinc/02/63/81/180026381.db2.gz OVXPGLZMXLXQLF-UHFFFAOYSA-N -1 3 223.232 0.935 20 0 BCADHM CN(CCOCCO)c1ccncc1C(=O)[O-] ZINC000304225261 350145129 /nfs/dbraw/zinc/14/51/29/350145129.db2.gz YKXCKCMNVWVELZ-UHFFFAOYSA-N -1 3 240.259 0.225 20 0 BCADHM Cc1cnc(C(=O)NC[C@@H]2CCCN2C)c([O-])c1 ZINC000426852281 191047897 /nfs/dbraw/zinc/04/78/97/191047897.db2.gz YLCBEBBCQSVJCU-JTQLQIEISA-N -1 3 249.314 0.920 20 0 BCADHM O=c1[n-]c(CN2C[C@@H]3CCC[C@H]3C2)n[nH]1 ZINC000092619087 490359051 /nfs/dbraw/zinc/35/90/51/490359051.db2.gz CLELMIOSNICGOE-YUMQZZPRSA-N -1 3 208.265 0.330 20 0 BCADHM Cc1ncc(CNCc2ncc[nH]2)c(=O)[n-]1 ZINC000309611772 180153298 /nfs/dbraw/zinc/15/32/98/180153298.db2.gz AJMHTOKOKNSRQK-UHFFFAOYSA-N -1 3 219.248 0.504 20 0 BCADHM Cc1ncc(CNc2ncccn2)c(=O)[n-]1 ZINC000309873575 180159683 /nfs/dbraw/zinc/15/96/83/180159683.db2.gz RPJJOBRZUBLOJI-UHFFFAOYSA-N -1 3 217.232 0.893 20 0 BCADHM Cc1ncccc1CN[C@]1(C(=O)[O-])CCOC1 ZINC000340681117 180222894 /nfs/dbraw/zinc/22/28/94/180222894.db2.gz PKYWEBGFWMOVIB-GFCCVEGCSA-N -1 3 236.271 0.723 20 0 BCADHM C[C@H](CC(=O)[O-])NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000427718362 191090029 /nfs/dbraw/zinc/09/00/29/191090029.db2.gz MBWUPXFDOLSTHL-OPRDCNLKSA-N -1 3 242.319 0.839 20 0 BCADHM COCC1(NC(=O)c2c[n-]nn2)CCCC1 ZINC000617192801 350306104 /nfs/dbraw/zinc/30/61/04/350306104.db2.gz VKICXLZNBCJKKZ-UHFFFAOYSA-N -1 3 224.264 0.494 20 0 BCADHM COCC1(NC(=O)c2cnn[n-]2)CCCC1 ZINC000617192801 350306106 /nfs/dbraw/zinc/30/61/06/350306106.db2.gz VKICXLZNBCJKKZ-UHFFFAOYSA-N -1 3 224.264 0.494 20 0 BCADHM COCC1(NC(=O)c2cn[n-]n2)CCCC1 ZINC000617192801 350306108 /nfs/dbraw/zinc/30/61/08/350306108.db2.gz VKICXLZNBCJKKZ-UHFFFAOYSA-N -1 3 224.264 0.494 20 0 BCADHM Cc1nn(C)c(NC(=O)c2nnc[n-]2)c1C ZINC000358529738 180357774 /nfs/dbraw/zinc/35/77/74/180357774.db2.gz NHHXMFFXQNNJAR-UHFFFAOYSA-N -1 3 220.236 0.407 20 0 BCADHM Cc1nn(C)c(NC(=O)c2nc[n-]n2)c1C ZINC000358529738 180357776 /nfs/dbraw/zinc/35/77/76/180357776.db2.gz NHHXMFFXQNNJAR-UHFFFAOYSA-N -1 3 220.236 0.407 20 0 BCADHM C[C@H](O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000035234215 358456260 /nfs/dbraw/zinc/45/62/60/358456260.db2.gz OKKYCDKXQIVGCY-QMMMGPOBSA-N -1 3 246.266 0.639 20 0 BCADHM O=S(=O)([N-]CC1CCOCC1)c1c[nH]cn1 ZINC000069949050 350476956 /nfs/dbraw/zinc/47/69/56/350476956.db2.gz NKTXVRPRKSTBEV-UHFFFAOYSA-N -1 3 245.304 0.115 20 0 BCADHM CCc1cnc(S(=O)(=O)CCF)[n-]1 ZINC000336650418 350576135 /nfs/dbraw/zinc/57/61/35/350576135.db2.gz IAJWZMOULWAVCH-UHFFFAOYSA-N -1 3 206.242 0.715 20 0 BCADHM CCc1c[n-]c(S(=O)(=O)CCF)n1 ZINC000336650418 350576137 /nfs/dbraw/zinc/57/61/37/350576137.db2.gz IAJWZMOULWAVCH-UHFFFAOYSA-N -1 3 206.242 0.715 20 0 BCADHM C[C@@H]1CCC[C@H](CNC(=O)c2c[n-]nn2)O1 ZINC000618573768 350603218 /nfs/dbraw/zinc/60/32/18/350603218.db2.gz FEDAXACGXFHOMI-HTQZYQBOSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H]1CCC[C@H](CNC(=O)c2cnn[n-]2)O1 ZINC000618573768 350603220 /nfs/dbraw/zinc/60/32/20/350603220.db2.gz FEDAXACGXFHOMI-HTQZYQBOSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@@H]1CCC[C@H](CNC(=O)c2cn[n-]n2)O1 ZINC000618573768 350603224 /nfs/dbraw/zinc/60/32/24/350603224.db2.gz FEDAXACGXFHOMI-HTQZYQBOSA-N -1 3 224.264 0.492 20 0 BCADHM c1cnc(N2CCCC2)c(-c2nnn[n-]2)c1 ZINC000095150701 350655758 /nfs/dbraw/zinc/65/57/58/350655758.db2.gz QISMFEVZXWPKQJ-UHFFFAOYSA-N -1 3 216.248 0.862 20 0 BCADHM c1cnc(N2CCCC2)c(-c2nn[n-]n2)c1 ZINC000095150701 350655760 /nfs/dbraw/zinc/65/57/60/350655760.db2.gz QISMFEVZXWPKQJ-UHFFFAOYSA-N -1 3 216.248 0.862 20 0 BCADHM CN(C)c1nc(Cc2nnn[n-]2)cs1 ZINC000095180216 350656524 /nfs/dbraw/zinc/65/65/24/350656524.db2.gz YSMGSNROYBXQMM-UHFFFAOYSA-N -1 3 210.266 0.313 20 0 BCADHM Nc1nc(C2CCCC2)ncc1-c1nnn[n-]1 ZINC000095336602 350657944 /nfs/dbraw/zinc/65/79/44/350657944.db2.gz DJYJAQBIALLOHF-UHFFFAOYSA-N -1 3 231.263 0.897 20 0 BCADHM Nc1nc(C2CCCC2)ncc1-c1nn[n-]n1 ZINC000095336602 350657945 /nfs/dbraw/zinc/65/79/45/350657945.db2.gz DJYJAQBIALLOHF-UHFFFAOYSA-N -1 3 231.263 0.897 20 0 BCADHM c1cnn(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000095252147 350657977 /nfs/dbraw/zinc/65/79/77/350657977.db2.gz KHGBPPICJUCQJM-UHFFFAOYSA-N -1 3 226.243 0.976 20 0 BCADHM c1cnn(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000095252147 350657979 /nfs/dbraw/zinc/65/79/79/350657979.db2.gz KHGBPPICJUCQJM-UHFFFAOYSA-N -1 3 226.243 0.976 20 0 BCADHM C[C@@H](O)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000035609266 358457603 /nfs/dbraw/zinc/45/76/03/358457603.db2.gz DUGRSKLDIYZVOR-MRVPVSSYSA-N -1 3 246.266 0.639 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@H](O)C1 ZINC000621298378 350724099 /nfs/dbraw/zinc/72/40/99/350724099.db2.gz UFSJSJVTPQOGBM-MRVPVSSYSA-N -1 3 240.234 0.523 20 0 BCADHM CC[C@@H](O)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000339200295 350739281 /nfs/dbraw/zinc/73/92/81/350739281.db2.gz LOQQBEYIUSBFPW-DTWKUNHWSA-N -1 3 240.307 0.461 20 0 BCADHM CC[C@@H](O)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000339200299 350739582 /nfs/dbraw/zinc/73/95/82/350739582.db2.gz LOQQBEYIUSBFPW-RKDXNWHRSA-N -1 3 240.307 0.461 20 0 BCADHM CC[C@H](COCC1CC1)NC(=O)c1c[n-]nn1 ZINC000617328350 350742055 /nfs/dbraw/zinc/74/20/55/350742055.db2.gz DXHIEARLFJMNPB-SECBINFHSA-N -1 3 238.291 0.740 20 0 BCADHM CC[C@H](COCC1CC1)NC(=O)c1cnn[n-]1 ZINC000617328350 350742058 /nfs/dbraw/zinc/74/20/58/350742058.db2.gz DXHIEARLFJMNPB-SECBINFHSA-N -1 3 238.291 0.740 20 0 BCADHM CC[C@H](COCC1CC1)NC(=O)c1cn[n-]n1 ZINC000617328350 350742062 /nfs/dbraw/zinc/74/20/62/350742062.db2.gz DXHIEARLFJMNPB-SECBINFHSA-N -1 3 238.291 0.740 20 0 BCADHM COC1CC(C(=O)Nc2ccncc2[O-])C1 ZINC000626290835 350891958 /nfs/dbraw/zinc/89/19/58/350891958.db2.gz GVFLRDOEHKEIHN-UHFFFAOYSA-N -1 3 222.244 0.573 20 0 BCADHM Cc1cccc([O-])c1C(=O)N(C)C[C@H](O)CO ZINC000626333901 350984083 /nfs/dbraw/zinc/98/40/83/350984083.db2.gz NRZWBKQGRNOIHI-VIFPVBQESA-N -1 3 239.271 0.126 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CNC(=O)C1 ZINC000626380547 351021762 /nfs/dbraw/zinc/02/17/62/351021762.db2.gz PAVMFTTWTGXPMX-QMMMGPOBSA-N -1 3 234.255 0.319 20 0 BCADHM CC[C@](C)(CCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626380950 351022610 /nfs/dbraw/zinc/02/26/10/351022610.db2.gz JSJIQSATTWIMEE-LLVKDONJSA-N -1 3 239.275 0.463 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC=CCC1 ZINC000626388949 351026493 /nfs/dbraw/zinc/02/64/93/351026493.db2.gz RXIRZIJBMFQDLT-UHFFFAOYSA-N -1 3 205.217 0.584 20 0 BCADHM CN1CC=C(C[N-]C(=O)C(F)(F)F)CC1 ZINC000307015199 351422705 /nfs/dbraw/zinc/42/27/05/351422705.db2.gz NHHKLSUCVJKLKE-UHFFFAOYSA-N -1 3 222.210 0.927 20 0 BCADHM CC(C)(O)CNC(=O)c1c([O-])cccc1O ZINC000228856292 191136156 /nfs/dbraw/zinc/13/61/56/191136156.db2.gz BNHYMTUCGLOEPE-UHFFFAOYSA-N -1 3 225.244 0.599 20 0 BCADHM CC1(C)[C@H](O)C[C@@H]1Nc1nc2nncc-2c(O)[n-]1 ZINC000275055160 351591846 /nfs/dbraw/zinc/59/18/46/351591846.db2.gz UPEKIQULSJPHJY-NKWVEPMBSA-N -1 3 249.274 0.630 20 0 BCADHM CCN1CC(=O)N[C@@H]1c1cc([O-])cc(F)c1 ZINC000276386383 351619200 /nfs/dbraw/zinc/61/92/00/351619200.db2.gz FIRSEYVOTDQQBT-NSHDSACASA-N -1 3 224.235 0.982 20 0 BCADHM CC(C)CN(C)C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000298598483 352508979 /nfs/dbraw/zinc/50/89/79/352508979.db2.gz FFUNRIPXNZRYIV-UHFFFAOYSA-N -1 3 239.275 0.214 20 0 BCADHM CNC(=O)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000398535672 352664563 /nfs/dbraw/zinc/66/45/63/352664563.db2.gz YVWVWJZILMHJFT-VIFPVBQESA-N -1 3 248.282 0.600 20 0 BCADHM CO[C@](C)([C@@H](C)NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC000411967867 191234971 /nfs/dbraw/zinc/23/49/71/191234971.db2.gz IVZMMGWNNXWPJB-RDDDGLTNSA-N -1 3 240.307 0.804 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CO)o1 ZINC000334250656 352886581 /nfs/dbraw/zinc/88/65/81/352886581.db2.gz ANCJZVGIJBUBSZ-ZCFIWIBFSA-N -1 3 219.262 0.247 20 0 BCADHM C[C@H](C(=O)Nc1ncccc1[O-])[C@H]1CCC(=O)N1 ZINC000626423857 353112959 /nfs/dbraw/zinc/11/29/59/353112959.db2.gz SYHMQKZBRYCATK-JGVFFNPUSA-N -1 3 249.270 0.640 20 0 BCADHM O=c1[n-]nc(CN2CCO[C@H]3CCC[C@@H]32)s1 ZINC000375357098 188077598 /nfs/dbraw/zinc/07/75/98/188077598.db2.gz TXSDNEBFBZRXQI-YUMQZZPRSA-N -1 3 241.316 0.997 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC000613427378 363209971 /nfs/dbraw/zinc/20/99/71/363209971.db2.gz SEGUMMPOESRGOV-QMSLJYSESA-N -1 3 220.228 0.618 20 0 BCADHM CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291536086 188212113 /nfs/dbraw/zinc/21/21/13/188212113.db2.gz LHBVPEVFITUJQL-UHFFFAOYSA-N -1 3 235.243 0.541 20 0 BCADHM C[C@H]1C[C@H]1C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225903586 538114496 /nfs/dbraw/zinc/11/44/96/538114496.db2.gz RQZYPKWYLTYTHP-DTWKUNHWSA-N -1 3 228.292 0.117 20 0 BCADHM CC(C)CC(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225913976 538114703 /nfs/dbraw/zinc/11/47/03/538114703.db2.gz CTSGOYVTOUMNQO-UHFFFAOYSA-N -1 3 230.308 0.507 20 0 BCADHM COc1ccc(NC(=O)[C@@H](C)O)c([O-])c1 ZINC000135457752 538115232 /nfs/dbraw/zinc/11/52/32/538115232.db2.gz OOZSZLCWGGQJJJ-ZCFIWIBFSA-N -1 3 211.217 0.720 20 0 BCADHM Cn1nccc1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000329509243 538117263 /nfs/dbraw/zinc/11/72/63/538117263.db2.gz XDYCHKGWAPAMRF-SECBINFHSA-N -1 3 249.274 1.267 20 0 BCADHM CCNC(=O)N1CCN([C@@H](CC)C(=O)[O-])CC1 ZINC000191400591 353469877 /nfs/dbraw/zinc/46/98/77/353469877.db2.gz AFQYHCRCTYQHDU-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM O=C([N-]OCCO)[C@@H]1C[C@H]1c1ccsc1 ZINC000529063268 324241083 /nfs/dbraw/zinc/24/10/83/324241083.db2.gz LEKZQQGIVCMEHW-DTWKUNHWSA-N -1 3 227.285 0.892 20 0 BCADHM O=S(=O)([N-]CCF)c1cncc(F)c1 ZINC000334535027 353914966 /nfs/dbraw/zinc/91/49/66/353914966.db2.gz BUGXKSXSPSXHRQ-UHFFFAOYSA-N -1 3 222.216 0.469 20 0 BCADHM O=C(Nc1cnn(C(F)F)c1)c1nc[n-]n1 ZINC000343582765 353939703 /nfs/dbraw/zinc/93/97/03/353939703.db2.gz ZLDDSYMCEYGWRT-UHFFFAOYSA-N -1 3 228.162 0.649 20 0 BCADHM CC(=O)c1ccc(C(=O)N2CC(CO)C2)cc1[O-] ZINC000613451832 363279300 /nfs/dbraw/zinc/27/93/00/363279300.db2.gz RAUKIRQYRVICKR-UHFFFAOYSA-N -1 3 249.266 0.659 20 0 BCADHM CC(C)(O)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344076935 354134358 /nfs/dbraw/zinc/13/43/58/354134358.db2.gz WHEWZJUPVKHRNL-QMMMGPOBSA-N -1 3 240.307 0.461 20 0 BCADHM Cn1ccc(CCC(=O)Nc2ccncc2[O-])n1 ZINC000344117212 354142342 /nfs/dbraw/zinc/14/23/42/354142342.db2.gz AYLDWNNMPPQXPQ-UHFFFAOYSA-N -1 3 246.270 0.514 20 0 BCADHM O=C(NCCN1CCC1)c1csc(=O)[n-]1 ZINC000519048087 259453208 /nfs/dbraw/zinc/45/32/08/259453208.db2.gz XWCDMLPDMMPXOA-UHFFFAOYSA-N -1 3 227.289 0.284 20 0 BCADHM C[C@H](CC(F)(F)F)NC(=O)c1c[n-]nn1 ZINC000231752743 363352872 /nfs/dbraw/zinc/35/28/72/363352872.db2.gz NDLCKGDSKFIHJG-SCSAIBSYSA-N -1 3 222.170 0.875 20 0 BCADHM C[C@H](CC(F)(F)F)NC(=O)c1cnn[n-]1 ZINC000231752743 363352877 /nfs/dbraw/zinc/35/28/77/363352877.db2.gz NDLCKGDSKFIHJG-SCSAIBSYSA-N -1 3 222.170 0.875 20 0 BCADHM C[C@H](CC(F)(F)F)NC(=O)c1cn[n-]n1 ZINC000231752743 363352881 /nfs/dbraw/zinc/35/28/81/363352881.db2.gz NDLCKGDSKFIHJG-SCSAIBSYSA-N -1 3 222.170 0.875 20 0 BCADHM C[C@@H](CC(F)(F)F)NC(=O)c1c[n-]nn1 ZINC000231752741 363352317 /nfs/dbraw/zinc/35/23/17/363352317.db2.gz NDLCKGDSKFIHJG-BYPYZUCNSA-N -1 3 222.170 0.875 20 0 BCADHM C[C@@H](CC(F)(F)F)NC(=O)c1cnn[n-]1 ZINC000231752741 363352323 /nfs/dbraw/zinc/35/23/23/363352323.db2.gz NDLCKGDSKFIHJG-BYPYZUCNSA-N -1 3 222.170 0.875 20 0 BCADHM C[C@@H](CC(F)(F)F)NC(=O)c1cn[n-]n1 ZINC000231752741 363352328 /nfs/dbraw/zinc/35/23/28/363352328.db2.gz NDLCKGDSKFIHJG-BYPYZUCNSA-N -1 3 222.170 0.875 20 0 BCADHM CN(C(=O)c1cc(=O)[n-]cn1)[C@H]1CCCOC1 ZINC000627137707 363356926 /nfs/dbraw/zinc/35/69/26/363356926.db2.gz IZLGTEQRVBDOSO-QMMMGPOBSA-N -1 3 237.259 0.433 20 0 BCADHM CCOCCC(=O)Nc1ccncc1[O-] ZINC000345371743 354641759 /nfs/dbraw/zinc/64/17/59/354641759.db2.gz HPANTEFEUQYMLX-UHFFFAOYSA-N -1 3 210.233 0.574 20 0 BCADHM CC(=O)C1(C(=O)NCc2cnc(C)[n-]c2=O)CC1 ZINC000346358956 354890299 /nfs/dbraw/zinc/89/02/99/354890299.db2.gz HVMHNEOMBHNLJF-UHFFFAOYSA-N -1 3 249.270 0.476 20 0 BCADHM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H](C)C1 ZINC000335221488 355061684 /nfs/dbraw/zinc/06/16/84/355061684.db2.gz VKZSTEKKKCSUSR-ZJUUUORDSA-N -1 3 238.335 0.976 20 0 BCADHM CC(C)NC(=O)[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000413563881 191397843 /nfs/dbraw/zinc/39/78/43/191397843.db2.gz DDPXZBJWCGNLRY-SSDOTTSWSA-N -1 3 248.290 0.051 20 0 BCADHM COC(=O)[C@@H](C)CNC(=O)c1csc(=O)[n-]1 ZINC000349468337 355386328 /nfs/dbraw/zinc/38/63/28/355386328.db2.gz QVPUGXCYGGACLC-YFKPBYRVSA-N -1 3 244.272 0.388 20 0 BCADHM CC1=C[C@H](C)CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335794559 355449340 /nfs/dbraw/zinc/44/93/40/355449340.db2.gz KJVZMORAVAWRJZ-QMMMGPOBSA-N -1 3 222.292 0.506 20 0 BCADHM COC[C@H](C)NC(=O)NCc1ncccc1[O-] ZINC000349814233 355467658 /nfs/dbraw/zinc/46/76/58/355467658.db2.gz RYCDNZASULLMOJ-QMMMGPOBSA-N -1 3 239.275 0.621 20 0 BCADHM C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)CCS1 ZINC000335818523 355509565 /nfs/dbraw/zinc/50/95/65/355509565.db2.gz VOLXLUHPQLMLQN-QMMMGPOBSA-N -1 3 242.348 0.436 20 0 BCADHM C[C@@H]1CCC[C@H](C)N1Cc1nc(=O)n(C)[n-]1 ZINC000335871314 355637797 /nfs/dbraw/zinc/63/77/97/355637797.db2.gz DVPWNYPUQMHXFG-DTORHVGOSA-N -1 3 224.308 0.871 20 0 BCADHM COC[C@@H](C)[N-]S(=O)(=O)c1conc1C ZINC000631645213 355715390 /nfs/dbraw/zinc/71/53/90/355715390.db2.gz MYYHLAZXSXUMOL-ZCFIWIBFSA-N -1 3 234.277 0.296 20 0 BCADHM C[C@@H](C(=O)[O-])N(C(=O)[C@H](N)C1CCC1)C1CC1 ZINC000399155131 355771271 /nfs/dbraw/zinc/77/12/71/355771271.db2.gz COANNLANUFNYRM-OIBJUYFYSA-N -1 3 240.303 0.578 20 0 BCADHM N=c1nc(N2CCC[C@@H](O)CC2)nc2[nH][n-]cc1-2 ZINC000338830934 181211269 /nfs/dbraw/zinc/21/12/69/181211269.db2.gz PXTQWCCNUFDQJZ-SSDOTTSWSA-N -1 3 248.290 0.068 20 0 BCADHM NC(=O)CCCC(=O)[N-]OCCC(F)(F)F ZINC000280132875 181220039 /nfs/dbraw/zinc/22/00/39/181220039.db2.gz GQUWMQVXBGDKGW-UHFFFAOYSA-N -1 3 242.197 0.642 20 0 BCADHM NC(=O)[N-]C(=O)OCCCSc1ncco1 ZINC000277999836 181255552 /nfs/dbraw/zinc/25/55/52/181255552.db2.gz OBGXOJYWFHMUGZ-UHFFFAOYSA-N -1 3 245.260 0.962 20 0 BCADHM NC(=O)NCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000339008613 181256548 /nfs/dbraw/zinc/25/65/48/181256548.db2.gz WNCOZAVRZQUBFL-UHFFFAOYSA-N -1 3 243.650 0.652 20 0 BCADHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000336294809 356331695 /nfs/dbraw/zinc/33/16/95/356331695.db2.gz VBOLONHHXVTIES-MRVPVSSYSA-N -1 3 245.300 0.983 20 0 BCADHM CCC(F)(F)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000639552500 356452050 /nfs/dbraw/zinc/45/20/50/356452050.db2.gz ZRZYFRIEXWNHLI-SSDOTTSWSA-N -1 3 247.245 0.268 20 0 BCADHM CC[C@@H](C)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000420705120 192257156 /nfs/dbraw/zinc/25/71/56/192257156.db2.gz JTSYAVUGYHZGKD-MRVPVSSYSA-N -1 3 231.321 0.745 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)C[C@@H](CC)OC ZINC000420684834 192257460 /nfs/dbraw/zinc/25/74/60/192257460.db2.gz DVVOAINMDSGPIU-SECBINFHSA-N -1 3 237.321 0.310 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)C1CCCCC1 ZINC000291424989 181285641 /nfs/dbraw/zinc/28/56/41/181285641.db2.gz IPDIBOFCYQXGSG-UHFFFAOYSA-N -1 3 237.263 0.422 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)C1CCCCC1 ZINC000291424989 181285642 /nfs/dbraw/zinc/28/56/42/181285642.db2.gz IPDIBOFCYQXGSG-UHFFFAOYSA-N -1 3 237.263 0.422 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)C1CCCCC1 ZINC000291424989 181285646 /nfs/dbraw/zinc/28/56/46/181285646.db2.gz IPDIBOFCYQXGSG-UHFFFAOYSA-N -1 3 237.263 0.422 20 0 BCADHM COC(=O)c1cc(C(=O)[N-]c2cncnc2)on1 ZINC000613551994 363480368 /nfs/dbraw/zinc/48/03/68/363480368.db2.gz MJSUPRXPDODUBK-UHFFFAOYSA-N -1 3 248.198 0.504 20 0 BCADHM C[C@H](CCCO)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000384380292 356633516 /nfs/dbraw/zinc/63/35/16/356633516.db2.gz NZAFHDNUBVQEJR-MRVPVSSYSA-N -1 3 247.320 0.097 20 0 BCADHM C[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)[C@@H](C)CO1 ZINC000623916123 356618226 /nfs/dbraw/zinc/61/82/26/356618226.db2.gz DMGAJFKPCPMPHQ-YUMQZZPRSA-N -1 3 237.259 0.432 20 0 BCADHM C[C@H](CO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000035204388 356704499 /nfs/dbraw/zinc/70/44/99/356704499.db2.gz AZCUHPGPODHFHP-ZCFIWIBFSA-N -1 3 220.232 0.069 20 0 BCADHM Cc1cc2nc([N-][C@@H](CO)C(N)=O)oc2c(C)c1 ZINC000450529232 202190580 /nfs/dbraw/zinc/19/05/80/202190580.db2.gz MVPNTGNVLUQBDV-VIFPVBQESA-N -1 3 249.270 0.703 20 0 BCADHM C[C@H](Nc1ccncc1C(=O)[O-])c1ncn(C)n1 ZINC000392171573 357139955 /nfs/dbraw/zinc/13/99/55/357139955.db2.gz NKJLDKVXCFUXSY-ZETCQYMHSA-N -1 3 247.258 0.503 20 0 BCADHM O=C([O-])C[C@H]1CN(CCC2CC2)CCO1 ZINC000085617894 357123555 /nfs/dbraw/zinc/12/35/55/357123555.db2.gz BUPZFYGHDCECJP-JTQLQIEISA-N -1 3 213.277 0.962 20 0 BCADHM Cc1ncc(CNS(=O)(=O)C2CC2)c(=O)[n-]1 ZINC000544102760 325131290 /nfs/dbraw/zinc/13/12/90/325131290.db2.gz MXVYKQIXCQQPOL-UHFFFAOYSA-N -1 3 243.288 0.072 20 0 BCADHM Cn1cncc1CNC(=O)c1cncc([O-])c1 ZINC000356802510 538817599 /nfs/dbraw/zinc/81/75/99/538817599.db2.gz PHJCRKOCYFCGPO-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000626523396 357175302 /nfs/dbraw/zinc/17/53/02/357175302.db2.gz XFZRHQRTHRTYMW-JGVFFNPUSA-N -1 3 237.259 0.071 20 0 BCADHM O=C(CC1CC1)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000582466031 357291386 /nfs/dbraw/zinc/29/13/86/357291386.db2.gz IBKFIJDUWPGCMM-UHFFFAOYSA-N -1 3 242.662 0.972 20 0 BCADHM CNC(=O)CC(=O)Nc1ccc(OC)cc1[O-] ZINC000357016575 538822870 /nfs/dbraw/zinc/82/28/70/538822870.db2.gz SQNHKIWLZSMMHY-UHFFFAOYSA-N -1 3 238.243 0.475 20 0 BCADHM O=S(=O)([N-][C@H]1[C@@H]2COC[C@@H]21)c1cscn1 ZINC000582483939 357317700 /nfs/dbraw/zinc/31/77/00/357317700.db2.gz MQYOLAYYAPAURB-BDINMYNLSA-N -1 3 246.313 0.066 20 0 BCADHM O=C([N-]O[C@H]1CCCCO1)[C@H]1C[C@H](F)CN1 ZINC000188685841 357572004 /nfs/dbraw/zinc/57/20/04/357572004.db2.gz GBINGSIBUNSPNO-YIZRAAEISA-N -1 3 232.255 0.261 20 0 BCADHM Cc1cc(C(=O)N[C@H]2CNC(=O)C2)ccc1[O-] ZINC000230655295 357545383 /nfs/dbraw/zinc/54/53/83/357545383.db2.gz TWMDJOWGLZMELW-SECBINFHSA-N -1 3 234.255 0.319 20 0 BCADHM C[C@@H](OCC1CC1)C(=O)[N-]c1nncn1C ZINC000159122629 538874152 /nfs/dbraw/zinc/87/41/52/538874152.db2.gz RRSANWYDUIWSAA-SSDOTTSWSA-N -1 3 224.264 0.569 20 0 BCADHM C[C@H](OCC1CC1)C(=O)[N-]c1nncn1C ZINC000159122502 538874373 /nfs/dbraw/zinc/87/43/73/538874373.db2.gz RRSANWYDUIWSAA-ZETCQYMHSA-N -1 3 224.264 0.569 20 0 BCADHM COC(=O)CNC(=O)c1cc([O-])ccc1Cl ZINC000234529947 357811734 /nfs/dbraw/zinc/81/17/34/357811734.db2.gz JUWLYEKECSKUNI-UHFFFAOYSA-N -1 3 243.646 0.948 20 0 BCADHM CN(C)C1(CNc2ncc(C(=O)[O-])cn2)CC1 ZINC000397948733 357811907 /nfs/dbraw/zinc/81/19/07/357811907.db2.gz VQTMVZYVFQIBIB-UHFFFAOYSA-N -1 3 236.275 0.681 20 0 BCADHM CCC[C@H](C(=O)N(C)CCC(=O)[O-])N(C)C ZINC000583811847 357957511 /nfs/dbraw/zinc/95/75/11/357957511.db2.gz CIYVCTIRYITNKV-SECBINFHSA-N -1 3 230.308 0.650 20 0 BCADHM NC(=O)c1ccc(CC(=O)[N-]OCC2CC2)cc1 ZINC000293829350 181294478 /nfs/dbraw/zinc/29/44/78/181294478.db2.gz SKGDQEYXGSSLLD-UHFFFAOYSA-N -1 3 248.282 0.786 20 0 BCADHM CCCC[C@H](NC(=O)[C@H]1C[C@H](F)CN1)C(=O)[O-] ZINC000584724123 358166176 /nfs/dbraw/zinc/16/61/76/358166176.db2.gz UXKYCVBTKBTIIV-XHNCKOQMSA-N -1 3 246.282 0.446 20 0 BCADHM O=c1cc(-c2noc([C@@H]3CCOC3)n2)nc[n-]1 ZINC000351367177 358189006 /nfs/dbraw/zinc/18/90/06/358189006.db2.gz HYNAYEJDFONYTL-ZCFIWIBFSA-N -1 3 234.215 0.736 20 0 BCADHM COCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351376037 358183832 /nfs/dbraw/zinc/18/38/32/358183832.db2.gz SGQOCUJIGNXCSJ-UHFFFAOYSA-N -1 3 208.177 0.379 20 0 BCADHM CC[C@@H](C)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000224523757 358234666 /nfs/dbraw/zinc/23/46/66/358234666.db2.gz JADCWRBMLJRNNC-RKDXNWHRSA-N -1 3 201.266 0.818 20 0 BCADHM CCC[C@@H](C)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225914171 358332279 /nfs/dbraw/zinc/33/22/79/358332279.db2.gz DMDFFCCEMRHVLZ-SNVBAGLBSA-N -1 3 244.335 0.897 20 0 BCADHM O=C([O-])c1cnccc1NC[C@]1(O)CCOC1 ZINC000227168421 358350894 /nfs/dbraw/zinc/35/08/94/358350894.db2.gz GJUTXZIIQOCYKV-LLVKDONJSA-N -1 3 238.243 0.343 20 0 BCADHM O=S(=O)([N-]C[C@H]1CCSC1)c1c[nH]cn1 ZINC000228601978 358381476 /nfs/dbraw/zinc/38/14/76/358381476.db2.gz HGYBEXNXEZMKSR-SSDOTTSWSA-N -1 3 247.345 0.441 20 0 BCADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)CCCF ZINC000133420537 358754652 /nfs/dbraw/zinc/75/46/52/358754652.db2.gz KFCATRQNIINERT-UHFFFAOYSA-N -1 3 239.312 0.881 20 0 BCADHM CC[C@@H](C(=O)[O-])N1CCN(C(=O)C(C)C)CC1 ZINC000262457885 535436115 /nfs/dbraw/zinc/43/61/15/535436115.db2.gz VMNGVLQOGHXBNP-JTQLQIEISA-N -1 3 242.319 0.650 20 0 BCADHM CCOCCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351376230 366519469 /nfs/dbraw/zinc/51/94/69/366519469.db2.gz SREVIKOBXVZUBQ-UHFFFAOYSA-N -1 3 236.231 0.811 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC(OC(F)F)C1 ZINC000626582479 358969212 /nfs/dbraw/zinc/96/92/12/358969212.db2.gz ZYNLCUUVAIPEMC-UHFFFAOYSA-N -1 3 245.185 0.246 20 0 BCADHM C[C@@H]1COCC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000626668414 359023922 /nfs/dbraw/zinc/02/39/22/359023922.db2.gz LAEDIOGVWNAZMZ-HTQZYQBOSA-N -1 3 237.259 0.337 20 0 BCADHM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc(=O)[n-]cn1 ZINC000626692338 359473801 /nfs/dbraw/zinc/47/38/01/359473801.db2.gz DRANJHAVCYTCDY-LYIWLLOFSA-N -1 3 219.244 0.711 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@H]1C[C@@]12CCOC2 ZINC000332947294 359525548 /nfs/dbraw/zinc/52/55/48/359525548.db2.gz VUIQPODZFDLNNG-NOZJJQNGSA-N -1 3 248.282 0.830 20 0 BCADHM O=C(NCCCCCO)c1cc(=O)[n-]cn1 ZINC000626711089 359521933 /nfs/dbraw/zinc/52/19/33/359521933.db2.gz ANEUVNBKIRJNLH-UHFFFAOYSA-N -1 3 225.248 0.075 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H](O)C1CCC1 ZINC000450793086 202268949 /nfs/dbraw/zinc/26/89/49/202268949.db2.gz ILKHHNHJGLVAEN-VIFPVBQESA-N -1 3 222.244 0.887 20 0 BCADHM CCOCC(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000180921907 366559389 /nfs/dbraw/zinc/55/93/89/366559389.db2.gz WCNBQRVRUQHNFZ-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM CCOCC(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000180921907 366559391 /nfs/dbraw/zinc/55/93/91/366559391.db2.gz WCNBQRVRUQHNFZ-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM NC1(C(=O)NCc2ncccc2[O-])CCC1 ZINC000578440876 366568590 /nfs/dbraw/zinc/56/85/90/366568590.db2.gz PRVNMARQKSDDBH-UHFFFAOYSA-N -1 3 221.260 0.285 20 0 BCADHM C[C@]1(C[N-]S(=O)(=O)c2c[nH]cn2)CCCO1 ZINC000087257407 359904562 /nfs/dbraw/zinc/90/45/62/359904562.db2.gz ITSPAJXRESQZTL-SECBINFHSA-N -1 3 245.304 0.257 20 0 BCADHM CC[C@H](CCO)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000087371324 359908800 /nfs/dbraw/zinc/90/88/00/359908800.db2.gz RTKFWYAZHSBPQE-MRVPVSSYSA-N -1 3 247.320 0.097 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cccc3nn[n-]c32)CO1 ZINC000578655196 366622007 /nfs/dbraw/zinc/62/20/07/366622007.db2.gz WCCOQKFTVMNVRV-SFYZADRCSA-N -1 3 246.270 0.865 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cccc3[n-]nnc32)CO1 ZINC000578655196 366622010 /nfs/dbraw/zinc/62/20/10/366622010.db2.gz WCCOQKFTVMNVRV-SFYZADRCSA-N -1 3 246.270 0.865 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)CO1 ZINC000578655196 366622012 /nfs/dbraw/zinc/62/20/12/366622012.db2.gz WCCOQKFTVMNVRV-SFYZADRCSA-N -1 3 246.270 0.865 20 0 BCADHM CC1(O)CN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000612697437 360013307 /nfs/dbraw/zinc/01/33/07/360013307.db2.gz VHKHNXYKKWWATO-UHFFFAOYSA-N -1 3 247.254 0.475 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cncc([O-])c2)CCN1C ZINC000091437552 360115872 /nfs/dbraw/zinc/11/58/72/360115872.db2.gz LKXCHDWBBHFDPD-GXSJLCMTSA-N -1 3 249.314 1.000 20 0 BCADHM O=C(N[C@@H]1CCOC1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000612860277 360124321 /nfs/dbraw/zinc/12/43/21/360124321.db2.gz GUVJOXQVTXTEQJ-MRVPVSSYSA-N -1 3 247.254 0.787 20 0 BCADHM C[C@@H](CO)N(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000612920694 360181528 /nfs/dbraw/zinc/18/15/28/360181528.db2.gz JPTUJUGRRSUUFU-ZETCQYMHSA-N -1 3 249.270 0.721 20 0 BCADHM CCN(Cc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC000092617479 360184324 /nfs/dbraw/zinc/18/43/24/360184324.db2.gz HHQBFBGCIDWDRG-UHFFFAOYSA-N -1 3 210.281 0.863 20 0 BCADHM C[C@@H]1CCC[C@@H](C)N1Cc1n[nH]c(=O)[n-]1 ZINC000092618599 360186126 /nfs/dbraw/zinc/18/61/26/360186126.db2.gz FEFVEWKOXFYWPG-HTQZYQBOSA-N -1 3 210.281 0.861 20 0 BCADHM CN(C[C@@H]1CCCN1C)C(=O)c1ncccc1[O-] ZINC000092632749 360186787 /nfs/dbraw/zinc/18/67/87/360186787.db2.gz BZUDKWOTZVABBK-JTQLQIEISA-N -1 3 249.314 0.953 20 0 BCADHM CN(Cc1n[nH]c(=O)[n-]1)C(C1CC1)C1CC1 ZINC000092618276 360186821 /nfs/dbraw/zinc/18/68/21/360186821.db2.gz GNZDFMYVRDTTIG-UHFFFAOYSA-N -1 3 222.292 0.718 20 0 BCADHM O=C(C[C@H]1CC(=O)N1)Nc1cc(F)ccc1[O-] ZINC000613029327 360276552 /nfs/dbraw/zinc/27/65/52/360276552.db2.gz ZHILBBLYMFEQNU-SSDOTTSWSA-N -1 3 238.218 0.748 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCC[C@H]1CO ZINC000613030638 360277484 /nfs/dbraw/zinc/27/74/84/360277484.db2.gz MROSSXQNNQYCTC-JTQLQIEISA-N -1 3 236.271 0.313 20 0 BCADHM CC(C)(CO)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000613021341 360289280 /nfs/dbraw/zinc/28/92/80/360289280.db2.gz OCVUXUMBVYXPCY-UHFFFAOYSA-N -1 3 249.270 0.769 20 0 BCADHM CO[C@@H]1CC[C@@H](C(=O)Nc2ccncc2[O-])C1 ZINC000613087144 360348614 /nfs/dbraw/zinc/34/86/14/360348614.db2.gz UOKRHBWXCLMJKQ-RKDXNWHRSA-N -1 3 236.271 0.963 20 0 BCADHM NC(=O)c1cccc(CNC2(C(=O)[O-])CCC2)c1 ZINC000147260493 181303251 /nfs/dbraw/zinc/30/32/51/181303251.db2.gz KLIRHIXHPCYAQH-UHFFFAOYSA-N -1 3 248.282 0.882 20 0 BCADHM COc1nc(NC(=O)CCCF)n[n-]1 ZINC000613195667 360702745 /nfs/dbraw/zinc/70/27/45/360702745.db2.gz KJCHTEPKUKHTRD-UHFFFAOYSA-N -1 3 202.189 0.502 20 0 BCADHM COc1nnc(NC(=O)CCCF)[n-]1 ZINC000613195667 360702747 /nfs/dbraw/zinc/70/27/47/360702747.db2.gz KJCHTEPKUKHTRD-UHFFFAOYSA-N -1 3 202.189 0.502 20 0 BCADHM COc1n[n-]c(NC(=O)CCCF)n1 ZINC000613195667 360702748 /nfs/dbraw/zinc/70/27/48/360702748.db2.gz KJCHTEPKUKHTRD-UHFFFAOYSA-N -1 3 202.189 0.502 20 0 BCADHM O=C(N[C@H]1COCCC1=O)c1ccccc1[O-] ZINC000628871435 360715089 /nfs/dbraw/zinc/71/50/89/360715089.db2.gz ZOXOFXHGZNGRIF-VIFPVBQESA-N -1 3 235.239 0.480 20 0 BCADHM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1c[n-]nn1 ZINC000629131427 360895197 /nfs/dbraw/zinc/89/51/97/360895197.db2.gz LGBBNJAXGRIDEB-CBAPKCEASA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cnn[n-]1 ZINC000629131427 360895199 /nfs/dbraw/zinc/89/51/99/360895199.db2.gz LGBBNJAXGRIDEB-CBAPKCEASA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cn[n-]n1 ZINC000629131427 360895204 /nfs/dbraw/zinc/89/52/04/360895204.db2.gz LGBBNJAXGRIDEB-CBAPKCEASA-N -1 3 222.248 0.102 20 0 BCADHM CC[C@H](O)[C@H](CC)N=c1ncnc2[nH][n-]cc1-2 ZINC000450866757 219878853 /nfs/dbraw/zinc/87/88/53/219878853.db2.gz XRZCZRMKCRVYSO-IUCAKERBSA-N -1 3 235.291 0.688 20 0 BCADHM CO[C@H](C)CN1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629364494 361008260 /nfs/dbraw/zinc/00/82/60/361008260.db2.gz ZKFDLPXOKCVRIN-SNVBAGLBSA-N -1 3 244.335 0.502 20 0 BCADHM C[C@H]1C[C@H]1CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000629364521 361009737 /nfs/dbraw/zinc/00/97/37/361009737.db2.gz MKHSZEVRNGMTKT-QCLAVDOMSA-N -1 3 213.277 0.816 20 0 BCADHM C[C@@H](CO)CN1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629361731 361010521 /nfs/dbraw/zinc/01/05/21/361010521.db2.gz LLYIWXVASKNGFC-SNVBAGLBSA-N -1 3 244.335 0.096 20 0 BCADHM CCCCOCCN1CC[C@@](OC)(C(=O)[O-])C1 ZINC000629371344 361021316 /nfs/dbraw/zinc/02/13/16/361021316.db2.gz JFVQJTIPGZBLKA-LBPRGKRZSA-N -1 3 245.319 0.979 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCC(=O)C1CC1 ZINC000613212165 361294615 /nfs/dbraw/zinc/29/46/15/361294615.db2.gz ADDJEXBBDKCHDA-UHFFFAOYSA-N -1 3 234.255 0.425 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640483311 361259141 /nfs/dbraw/zinc/25/91/41/361259141.db2.gz VVJHFSNKCVBOEL-PRHODGIISA-N -1 3 235.287 0.311 20 0 BCADHM CC[C@@H](CO)[N-]S(=O)(=O)c1cscn1 ZINC000579225245 366736996 /nfs/dbraw/zinc/73/69/96/366736996.db2.gz AUEUKOQBMZEGCW-LURJTMIESA-N -1 3 236.318 0.192 20 0 BCADHM NC1(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000335620134 181329716 /nfs/dbraw/zinc/32/97/16/181329716.db2.gz BCJSQMDPXTXUOT-UHFFFAOYSA-N -1 3 210.208 0.961 20 0 BCADHM CN(C)C1(C(=O)NCc2ncccc2[O-])CC1 ZINC000614254073 363771417 /nfs/dbraw/zinc/77/14/17/363771417.db2.gz CIVXNJWHHBXKQY-UHFFFAOYSA-N -1 3 235.287 0.498 20 0 BCADHM C[C@H]1C[C@@H]1CNC(=O)C(=O)[N-]c1cnns1 ZINC000429665411 201122890 /nfs/dbraw/zinc/12/28/90/201122890.db2.gz ZKYWSCRKXJIPSG-NTSWFWBYSA-N -1 3 240.288 0.249 20 0 BCADHM CC(C)(C)CNC(=O)C(=O)[N-]c1cnns1 ZINC000429664677 201124376 /nfs/dbraw/zinc/12/43/76/201124376.db2.gz XFWMDYHRONBLST-UHFFFAOYSA-N -1 3 242.304 0.639 20 0 BCADHM CC1(C)C[C@@H]1NC(=O)C(=O)[N-]c1cnns1 ZINC000429659483 201124497 /nfs/dbraw/zinc/12/44/97/201124497.db2.gz RJTLDXGPHSXAQQ-YFKPBYRVSA-N -1 3 240.288 0.391 20 0 BCADHM C[C@H]1C[C@H]1CNC(=O)C(=O)[N-]c1cnns1 ZINC000429665419 201124923 /nfs/dbraw/zinc/12/49/23/201124923.db2.gz ZKYWSCRKXJIPSG-WDSKDSINSA-N -1 3 240.288 0.249 20 0 BCADHM C[C@@H](O)CCC[N-]S(=O)(=O)c1ccccn1 ZINC000433358445 201184034 /nfs/dbraw/zinc/18/40/34/201184034.db2.gz BBYXHOCTGBMVHB-SECBINFHSA-N -1 3 244.316 0.521 20 0 BCADHM O=C(NC1(CCO)CC1)c1ccc(O)cc1[O-] ZINC000436855231 201339773 /nfs/dbraw/zinc/33/97/73/201339773.db2.gz IGNWJRNLABDSFY-UHFFFAOYSA-N -1 3 237.255 0.743 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H](O)C1CC1 ZINC000614580622 363891135 /nfs/dbraw/zinc/89/11/35/363891135.db2.gz AGUGFVZIFNJXHJ-ZETCQYMHSA-N -1 3 210.237 0.007 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CC1CC1 ZINC000631705044 363928225 /nfs/dbraw/zinc/92/82/25/363928225.db2.gz VVBHQRFZFLCSKL-UHFFFAOYSA-N -1 3 216.262 0.671 20 0 BCADHM CN(C(=O)c1ccc(O)cc1[O-])C1(CO)CC1 ZINC000614769834 363961437 /nfs/dbraw/zinc/96/14/37/363961437.db2.gz KRBAFCPPWOTSFG-UHFFFAOYSA-N -1 3 237.255 0.695 20 0 BCADHM CC(F)(F)CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614914583 364071942 /nfs/dbraw/zinc/07/19/42/364071942.db2.gz GQYXXAOUAQBOLQ-UHFFFAOYSA-N -1 3 247.245 0.804 20 0 BCADHM CC(C)(C(=O)[O-])N1CCN(C(=O)C2CC2)CC1 ZINC000630223408 364026618 /nfs/dbraw/zinc/02/66/18/364026618.db2.gz TZXVNSHMCJSBQM-UHFFFAOYSA-N -1 3 240.303 0.404 20 0 BCADHM O=C(N[C@@H](CO)CCF)c1cc(F)c[n-]c1=O ZINC000622127279 370726184 /nfs/dbraw/zinc/72/61/84/370726184.db2.gz YUIULYCXODBRSH-SSDOTTSWSA-N -1 3 246.213 0.377 20 0 BCADHM O=C(NCCOCCF)c1cc(F)c[n-]c1=O ZINC000622186208 370752974 /nfs/dbraw/zinc/75/29/74/370752974.db2.gz AIGSZUNRYKKRTB-UHFFFAOYSA-N -1 3 246.213 0.642 20 0 BCADHM CC(F)(F)CCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000614990523 364279466 /nfs/dbraw/zinc/27/94/66/364279466.db2.gz CLNVGUKDRZRJAH-UHFFFAOYSA-N -1 3 244.205 0.826 20 0 BCADHM CO[C@@H](C(=O)[N-]c1nnc2[nH]cnn12)C(C)C ZINC000614993933 364287424 /nfs/dbraw/zinc/28/74/24/364287424.db2.gz LPSLXICFWZFTPB-ZCFIWIBFSA-N -1 3 238.251 0.062 20 0 BCADHM NCc1nccn1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000630584504 364290359 /nfs/dbraw/zinc/29/03/59/364290359.db2.gz ZZRLSOPPKGMWSP-UHFFFAOYSA-N -1 3 245.286 0.763 20 0 BCADHM CC1(C)CC[C@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614996280 364298950 /nfs/dbraw/zinc/29/89/50/364298950.db2.gz KGBQQJSESFTRCM-LURJTMIESA-N -1 3 234.263 0.827 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000614996227 364307351 /nfs/dbraw/zinc/30/73/51/364307351.db2.gz JMORDIXEXPVEPN-BWZBUEFSSA-N -1 3 246.274 0.827 20 0 BCADHM CC[C@@H](C(=O)Nc1c(C)[n-][nH]c1=O)N(C)C ZINC000615221252 364642792 /nfs/dbraw/zinc/64/27/92/364642792.db2.gz JVWHFQUUUMIFIJ-ZETCQYMHSA-N -1 3 226.280 0.702 20 0 BCADHM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C(C)C)N(C)C ZINC000615225861 364645830 /nfs/dbraw/zinc/64/58/30/364645830.db2.gz HOGWPHBUMVFNAQ-VIFPVBQESA-N -1 3 240.307 0.948 20 0 BCADHM CN1CC[C@@H]([N-]S(=O)(=O)c2cscn2)C1 ZINC000573365699 364810207 /nfs/dbraw/zinc/81/02/07/364810207.db2.gz SYUZJKXBFCGRKR-SSDOTTSWSA-N -1 3 247.345 0.126 20 0 BCADHM CC(C)c1noc(=NCC2(N)CCC2)[n-]1 ZINC000573430663 364829078 /nfs/dbraw/zinc/82/90/78/364829078.db2.gz PSBWQHKFTZIIAS-UHFFFAOYSA-N -1 3 210.281 0.908 20 0 BCADHM C[C@@H]1CN(CC2(C(=O)[O-])CC2)[C@H](C)CO1 ZINC000573689491 364883453 /nfs/dbraw/zinc/88/34/53/364883453.db2.gz NBANLMXQDZMTQR-RKDXNWHRSA-N -1 3 213.277 0.960 20 0 BCADHM CCN1CCN(C(=O)Cc2cncc([O-])c2)CC1 ZINC000573742624 364907937 /nfs/dbraw/zinc/90/79/37/364907937.db2.gz YISNOABCEBHSMH-UHFFFAOYSA-N -1 3 249.314 0.494 20 0 BCADHM C[C@@H]1CO[C@@H](C)CN1CC1(C(=O)[O-])CC1 ZINC000573689488 364894199 /nfs/dbraw/zinc/89/41/99/364894199.db2.gz NBANLMXQDZMTQR-BDAKNGLRSA-N -1 3 213.277 0.960 20 0 BCADHM CC(C)(O)CNC(=O)Cc1cncc([O-])c1 ZINC000574339514 365042629 /nfs/dbraw/zinc/04/26/29/365042629.db2.gz SCRKRIPZBVLDNM-UHFFFAOYSA-N -1 3 224.260 0.217 20 0 BCADHM CCO[N-]C(=O)CCCN(C)C(=O)OC ZINC000171472206 365122594 /nfs/dbraw/zinc/12/25/94/365122594.db2.gz PICSRFPJGYRWBL-UHFFFAOYSA-N -1 3 218.253 0.533 20 0 BCADHM C[C@H](C(=O)Nc1nnn[n-]1)N1[C@H](C)CC[C@H]1C ZINC000444023998 193033810 /nfs/dbraw/zinc/03/38/10/193033810.db2.gz VUCIHAQQACBNSW-BWZBUEFSSA-N -1 3 238.295 0.400 20 0 BCADHM C[C@H](C(=O)Nc1nn[n-]n1)N1[C@H](C)CC[C@H]1C ZINC000444023998 193033813 /nfs/dbraw/zinc/03/38/13/193033813.db2.gz VUCIHAQQACBNSW-BWZBUEFSSA-N -1 3 238.295 0.400 20 0 BCADHM CCO[C@H]1C[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000575202165 365241944 /nfs/dbraw/zinc/24/19/44/365241944.db2.gz HYXYIKDQXYEKOB-MNOVXSKESA-N -1 3 246.270 0.865 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CCCCCO)n1 ZINC000444445636 193046559 /nfs/dbraw/zinc/04/65/59/193046559.db2.gz DEDFJYNISKVSHO-UHFFFAOYSA-N -1 3 247.320 0.303 20 0 BCADHM CCc1nnc(S(=O)(=O)CCCCCO)[n-]1 ZINC000444445636 193046562 /nfs/dbraw/zinc/04/65/62/193046562.db2.gz DEDFJYNISKVSHO-UHFFFAOYSA-N -1 3 247.320 0.303 20 0 BCADHM Cn1[n-]nnc1=NC[C@H]1CCCCN1C1CC1 ZINC000575241910 365267137 /nfs/dbraw/zinc/26/71/37/365267137.db2.gz NVWSVKRXFHQAKI-SNVBAGLBSA-N -1 3 236.323 0.061 20 0 BCADHM COc1nnc(NC(=O)CN2CC(C)(C)C2)[n-]1 ZINC000575933073 365420600 /nfs/dbraw/zinc/42/06/00/365420600.db2.gz BNIJFXWKLXDXJJ-UHFFFAOYSA-N -1 3 239.279 0.094 20 0 BCADHM COc1nc(NC(=O)CN2CC(C)(C)C2)n[n-]1 ZINC000575933073 365420605 /nfs/dbraw/zinc/42/06/05/365420605.db2.gz BNIJFXWKLXDXJJ-UHFFFAOYSA-N -1 3 239.279 0.094 20 0 BCADHM COc1n[n-]c(NC(=O)CN2CC(C)(C)C2)n1 ZINC000575933073 365420610 /nfs/dbraw/zinc/42/06/10/365420610.db2.gz BNIJFXWKLXDXJJ-UHFFFAOYSA-N -1 3 239.279 0.094 20 0 BCADHM O=S(=O)([N-]CC1=CCCOC1)c1c[nH]cn1 ZINC000379898019 365406610 /nfs/dbraw/zinc/40/66/10/365406610.db2.gz GRKPOEPMQITQAY-UHFFFAOYSA-N -1 3 243.288 0.035 20 0 BCADHM CCOC(=O)[C@H]([N-]S(C)(=O)=O)[C@@H](C)CC ZINC000173962190 365459730 /nfs/dbraw/zinc/45/97/30/365459730.db2.gz HABFQTUMWMFCHN-JGVFFNPUSA-N -1 3 237.321 0.513 20 0 BCADHM CCO[C@@H]1C[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000579904775 367069011 /nfs/dbraw/zinc/06/90/11/367069011.db2.gz SPZLCMDUZKQJRV-CAHLUQPWSA-N -1 3 228.273 0.756 20 0 BCADHM CC[C@@H](C)C[C@H]([N-]S(C)(=O)=O)C(=O)OC ZINC000579947535 367096480 /nfs/dbraw/zinc/09/64/80/367096480.db2.gz RIPTWSGBNMVXCL-SFYZADRCSA-N -1 3 237.321 0.513 20 0 BCADHM CC[C@@H](C)C[C@@H]([N-]S(C)(=O)=O)C(=O)OC ZINC000579947533 367096732 /nfs/dbraw/zinc/09/67/32/367096732.db2.gz RIPTWSGBNMVXCL-HTQZYQBOSA-N -1 3 237.321 0.513 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)CCC1(C)CC1 ZINC000580801499 367169576 /nfs/dbraw/zinc/16/95/76/367169576.db2.gz LYOJDYOFXQSOBM-QMMMGPOBSA-N -1 3 249.332 0.658 20 0 BCADHM O=C(Cc1cncc([O-])c1)Nc1cn[nH]c1 ZINC000622306297 370834947 /nfs/dbraw/zinc/83/49/47/370834947.db2.gz UZCVZRTUVAPLHN-UHFFFAOYSA-N -1 3 218.216 0.692 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CCCC2CC2)n1 ZINC000581247911 367308252 /nfs/dbraw/zinc/30/82/52/367308252.db2.gz FHXUFALTSKWVJY-UHFFFAOYSA-N -1 3 243.332 0.889 20 0 BCADHM CC1(S(=O)(=O)NCc2ncccc2[O-])CC1 ZINC000565234769 325882764 /nfs/dbraw/zinc/88/27/64/325882764.db2.gz IXRWYYVKHMQAQQ-UHFFFAOYSA-N -1 3 242.300 0.759 20 0 BCADHM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)NC1CC1 ZINC000382928089 367569008 /nfs/dbraw/zinc/56/90/08/367569008.db2.gz DZDAWDNAKLDKIW-DTWKUNHWSA-N -1 3 242.319 0.839 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@H]2C(N)=O)n1 ZINC000581557252 367589245 /nfs/dbraw/zinc/58/92/45/367589245.db2.gz FXZXTGJQRGQVMH-HTQZYQBOSA-N -1 3 249.270 0.546 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)c1cscn1 ZINC000617828548 367768186 /nfs/dbraw/zinc/76/81/86/367768186.db2.gz PYNDDBUCUWEOFD-YFKPBYRVSA-N -1 3 223.261 0.752 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)c1cscn1 ZINC000617828548 367768191 /nfs/dbraw/zinc/76/81/91/367768191.db2.gz PYNDDBUCUWEOFD-YFKPBYRVSA-N -1 3 223.261 0.752 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1cscn1 ZINC000617828548 367768199 /nfs/dbraw/zinc/76/81/99/367768199.db2.gz PYNDDBUCUWEOFD-YFKPBYRVSA-N -1 3 223.261 0.752 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)C1CC2(CCC2)C1 ZINC000581885817 367876173 /nfs/dbraw/zinc/87/61/73/367876173.db2.gz LQLXPXRDIAYMSE-UHFFFAOYSA-N -1 3 249.274 0.422 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)C1CC2(CCC2)C1 ZINC000581885817 367876178 /nfs/dbraw/zinc/87/61/78/367876178.db2.gz LQLXPXRDIAYMSE-UHFFFAOYSA-N -1 3 249.274 0.422 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)C1CC2(CCC2)C1 ZINC000581885817 367876190 /nfs/dbraw/zinc/87/61/90/367876190.db2.gz LQLXPXRDIAYMSE-UHFFFAOYSA-N -1 3 249.274 0.422 20 0 BCADHM O=C(N[C@@H](CO)C1CCCCC1)c1c[n-]nn1 ZINC000386283590 367944884 /nfs/dbraw/zinc/94/48/84/367944884.db2.gz RMVDDZYXWROGHF-JTQLQIEISA-N -1 3 238.291 0.476 20 0 BCADHM O=C(N[C@@H](CO)C1CCCCC1)c1cnn[n-]1 ZINC000386283590 367944887 /nfs/dbraw/zinc/94/48/87/367944887.db2.gz RMVDDZYXWROGHF-JTQLQIEISA-N -1 3 238.291 0.476 20 0 BCADHM O=C(N[C@@H](CO)C1CCCCC1)c1cn[n-]n1 ZINC000386283590 367944890 /nfs/dbraw/zinc/94/48/90/367944890.db2.gz RMVDDZYXWROGHF-JTQLQIEISA-N -1 3 238.291 0.476 20 0 BCADHM N#CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020495935 367970016 /nfs/dbraw/zinc/97/00/16/367970016.db2.gz LNFQWBSRUPJHNY-UHFFFAOYSA-N -1 3 228.215 0.719 20 0 BCADHM N#CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020495935 367970022 /nfs/dbraw/zinc/97/00/22/367970022.db2.gz LNFQWBSRUPJHNY-UHFFFAOYSA-N -1 3 228.215 0.719 20 0 BCADHM Cc1cc(C)[n-]c(=NNC(=O)C2CC2)n1 ZINC000022234264 367981780 /nfs/dbraw/zinc/98/17/80/367981780.db2.gz BKILVWOCACWVSN-UHFFFAOYSA-N -1 3 206.249 0.947 20 0 BCADHM C[C@@H](CN(C)C(=O)[C@H]1C[C@H](C)CCN1)C(=O)[O-] ZINC000387174751 368093550 /nfs/dbraw/zinc/09/35/50/368093550.db2.gz VPESIKKAWGVZMR-KXUCPTDWSA-N -1 3 242.319 0.554 20 0 BCADHM CC[C@@H](CCO)NC(=O)Cc1cncc([O-])c1 ZINC000566468949 326052008 /nfs/dbraw/zinc/05/20/08/326052008.db2.gz DITGWFGDTFRKTE-JTQLQIEISA-N -1 3 238.287 0.607 20 0 BCADHM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000445718969 201649733 /nfs/dbraw/zinc/64/97/33/201649733.db2.gz XZJNRJSJXQYXDB-HTQZYQBOSA-N -1 3 233.289 0.717 20 0 BCADHM Cc1nc(C)c(CC(=O)OC(C)C)c(=O)[n-]1 ZINC000046412375 368442812 /nfs/dbraw/zinc/44/28/12/368442812.db2.gz RQNHBPDYIHIIHO-UHFFFAOYSA-N -1 3 224.260 0.881 20 0 BCADHM CC[C@@H](NC(=O)c1cccc([O-])c1)C(=O)NC ZINC000457004172 203000583 /nfs/dbraw/zinc/00/05/83/203000583.db2.gz YWYROTWRLLUUKU-SNVBAGLBSA-N -1 3 236.271 0.647 20 0 BCADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000068281208 368720615 /nfs/dbraw/zinc/72/06/15/368720615.db2.gz XNCQPKQCLRXQFX-DTWKUNHWSA-N -1 3 209.249 0.591 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)NC1(CO)CC1 ZINC000622461913 370935744 /nfs/dbraw/zinc/93/57/44/370935744.db2.gz GLWZNUTXCUIRGL-UHFFFAOYSA-N -1 3 239.246 0.715 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CC2CC2)c1 ZINC000069095977 368746097 /nfs/dbraw/zinc/74/60/97/368746097.db2.gz WSEOMNDXDPPANU-UHFFFAOYSA-N -1 3 215.278 0.108 20 0 BCADHM Cc1cc(OCCO)cc2occ([O-])c21 ZINC000642609920 368933710 /nfs/dbraw/zinc/93/37/10/368933710.db2.gz DLAJXHWSAGIPCA-UHFFFAOYSA-N -1 3 208.213 0.941 20 0 BCADHM CN(C)CC(C)(C)NC(=O)c1cc(=O)n(C)[n-]1 ZINC000616188428 369020825 /nfs/dbraw/zinc/02/08/25/369020825.db2.gz TZFGSTCJWYXJNN-UHFFFAOYSA-N -1 3 240.307 0.196 20 0 BCADHM CCC(C)(C)OCC(=O)[N-]c1nncn1C ZINC000457767616 203100314 /nfs/dbraw/zinc/10/03/14/203100314.db2.gz ZUHOOJLCHQYXAA-UHFFFAOYSA-N -1 3 226.280 0.959 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2C[C@H](O)C2)c([O-])c1 ZINC000620874462 370027357 /nfs/dbraw/zinc/02/73/57/370027357.db2.gz FANXPJABGITHFM-KYZUINATSA-N -1 3 221.256 0.954 20 0 BCADHM CSCC[N-]S(=O)(=O)c1ccco1 ZINC000308182714 370109280 /nfs/dbraw/zinc/10/92/80/370109280.db2.gz HLUDCVIJCZRIPZ-UHFFFAOYSA-N -1 3 221.303 0.921 20 0 BCADHM O=C(NC[C@@H]1CCCO1)c1cc(F)c[n-]c1=O ZINC000621253192 370186481 /nfs/dbraw/zinc/18/64/81/370186481.db2.gz VQNXJRIMLBRREW-QMMMGPOBSA-N -1 3 240.234 0.835 20 0 BCADHM COC[C@@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000621258163 370190821 /nfs/dbraw/zinc/19/08/21/370190821.db2.gz ZZQZDHKERYCUTO-ZCFIWIBFSA-N -1 3 228.223 0.691 20 0 BCADHM CC[C@H](CO)NC(=O)c1cc(F)c[n-]c1=O ZINC000621530747 370380128 /nfs/dbraw/zinc/38/01/28/370380128.db2.gz DGTPYVQRDVCEGX-SSDOTTSWSA-N -1 3 228.223 0.427 20 0 BCADHM CCCN(CCO)C(=O)c1cc(F)c[n-]c1=O ZINC000621532066 370380663 /nfs/dbraw/zinc/38/06/63/370380663.db2.gz QOQKKXKAZFLIDC-UHFFFAOYSA-N -1 3 242.250 0.771 20 0 BCADHM CN(CCNc1ncc(C(=O)[O-])cn1)C1CC1 ZINC000310396312 370342779 /nfs/dbraw/zinc/34/27/79/370342779.db2.gz HRLAYBZOCLSGHA-UHFFFAOYSA-N -1 3 236.275 0.681 20 0 BCADHM CC[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)CCO1 ZINC000623782164 370513643 /nfs/dbraw/zinc/51/36/43/370513643.db2.gz KPFYFOYNSNKJHA-QMMMGPOBSA-N -1 3 237.259 0.433 20 0 BCADHM COC[C@@H](C)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621730410 370484843 /nfs/dbraw/zinc/48/48/43/370484843.db2.gz KTORYFPWLPIWLY-ZETCQYMHSA-N -1 3 242.250 0.939 20 0 BCADHM C[C@H](O)CCN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621910635 370595367 /nfs/dbraw/zinc/59/53/67/370595367.db2.gz GEGFHNIGLQZCKL-ZETCQYMHSA-N -1 3 242.250 0.769 20 0 BCADHM CC(C)(CO)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621924704 370601654 /nfs/dbraw/zinc/60/16/54/370601654.db2.gz JBEYPKKBVOEIME-UHFFFAOYSA-N -1 3 242.250 0.675 20 0 BCADHM CCC[C@@H](O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621923433 370602074 /nfs/dbraw/zinc/60/20/74/370602074.db2.gz MCRINMJHXMKJEJ-MRVPVSSYSA-N -1 3 242.250 0.817 20 0 BCADHM O=C(NC[C@H](O)C1CC1)c1cc(F)c[n-]c1=O ZINC000621923797 370603741 /nfs/dbraw/zinc/60/37/41/370603741.db2.gz YHXAYNIWWMQLRZ-VIFPVBQESA-N -1 3 240.234 0.427 20 0 BCADHM CC(C)c1cc(CNC(=O)c2c[n-]nn2)on1 ZINC000114433726 370564039 /nfs/dbraw/zinc/56/40/39/370564039.db2.gz VUERITBBRXMGPK-UHFFFAOYSA-N -1 3 235.247 0.846 20 0 BCADHM CC(C)c1cc(CNC(=O)c2cnn[n-]2)on1 ZINC000114433726 370564042 /nfs/dbraw/zinc/56/40/42/370564042.db2.gz VUERITBBRXMGPK-UHFFFAOYSA-N -1 3 235.247 0.846 20 0 BCADHM CC(C)c1cc(CNC(=O)c2cn[n-]n2)on1 ZINC000114433726 370564046 /nfs/dbraw/zinc/56/40/46/370564046.db2.gz VUERITBBRXMGPK-UHFFFAOYSA-N -1 3 235.247 0.846 20 0 BCADHM COc1cc(C(=O)[N-]c2nncn2C)sn1 ZINC000621954920 370620663 /nfs/dbraw/zinc/62/06/63/370620663.db2.gz NXHYECCMGOKSQR-UHFFFAOYSA-N -1 3 239.260 0.533 20 0 BCADHM C[C@H](O)CCCNC(=O)c1cc(F)c[n-]c1=O ZINC000621979055 370637250 /nfs/dbraw/zinc/63/72/50/370637250.db2.gz MGHBWPDWAGBHKX-ZETCQYMHSA-N -1 3 242.250 0.817 20 0 BCADHM O=C(NCc1ncccc1[O-])c1ncc[nH]1 ZINC000622570636 371000245 /nfs/dbraw/zinc/00/02/45/371000245.db2.gz KWRUJERYHXGCIF-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM O=C([N-]c1nncn1C1CC1)[C@@H](O)C1CCC1 ZINC000622588279 371007165 /nfs/dbraw/zinc/00/71/65/371007165.db2.gz COKLPLXNVHBXMS-VIFPVBQESA-N -1 3 236.275 0.713 20 0 BCADHM CC(C)CN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000623931944 371160236 /nfs/dbraw/zinc/16/02/36/371160236.db2.gz RUHDYXGSXHPMQY-UHFFFAOYSA-N -1 3 209.249 0.910 20 0 BCADHM O=C(NCCCn1cccn1)c1cc(=O)[n-]cn1 ZINC000623947203 371172588 /nfs/dbraw/zinc/17/25/88/371172588.db2.gz VUJKTIMKCHPFFL-UHFFFAOYSA-N -1 3 247.258 0.199 20 0 BCADHM CCCCN(CCO)C(=O)c1cc(=O)[n-]cn1 ZINC000623937075 371166450 /nfs/dbraw/zinc/16/64/50/371166450.db2.gz TUDOESVGFOPXSK-UHFFFAOYSA-N -1 3 239.275 0.417 20 0 BCADHM C[C@@H](Cn1cccn1)NC(=O)c1cc(=O)[n-]cn1 ZINC000624041352 371267823 /nfs/dbraw/zinc/26/78/23/371267823.db2.gz RKFCGLJETNDYKZ-QMMMGPOBSA-N -1 3 247.258 0.197 20 0 BCADHM CO[C@@H](C)[C@@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000627401475 371602804 /nfs/dbraw/zinc/60/28/04/371602804.db2.gz YTSBSEFQAOGYNB-RQJHMYQMSA-N -1 3 225.248 0.335 20 0 BCADHM COCC(C)(C)N(C)C(=O)c1cc(=O)[n-]cn1 ZINC000627503000 371665943 /nfs/dbraw/zinc/66/59/43/371665943.db2.gz WIZUNVSZKAVZGB-UHFFFAOYSA-N -1 3 239.275 0.679 20 0 BCADHM CC[C@H](CO)N(C)C(=O)c1cc(=O)[n-]cn1 ZINC000627565451 371712714 /nfs/dbraw/zinc/71/27/14/371712714.db2.gz RCWRGJQXMWYDGO-SSDOTTSWSA-N -1 3 225.248 0.025 20 0 BCADHM CO[C@@H](CNC(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000627539127 371693056 /nfs/dbraw/zinc/69/30/56/371693056.db2.gz DLUSIHICVZRPTA-VIFPVBQESA-N -1 3 237.259 0.337 20 0 BCADHM CCOC1CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000627553968 371703525 /nfs/dbraw/zinc/70/35/25/371703525.db2.gz USSMUMGNUCGXHD-UHFFFAOYSA-N -1 3 223.232 0.043 20 0 BCADHM C[C@@H](CC(C)(C)O)NC(=O)c1cc(=O)[n-]cn1 ZINC000627601173 371771543 /nfs/dbraw/zinc/77/15/43/371771543.db2.gz XLIGMBLTNQOIOJ-ZETCQYMHSA-N -1 3 239.275 0.462 20 0 BCADHM O=C(N[C@H]1CC12CCOCC2)c1cc(=O)[n-]cn1 ZINC000627637457 371799756 /nfs/dbraw/zinc/79/97/56/371799756.db2.gz GUSLRKXGQDOBFZ-VIFPVBQESA-N -1 3 249.270 0.481 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1C[C@@H]2C[C@H]1CS2 ZINC000627725803 371898557 /nfs/dbraw/zinc/89/85/57/371898557.db2.gz BIZNKZMGQWSCMP-BQBZGAKWSA-N -1 3 237.284 0.512 20 0 BCADHM CN(C)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000132809549 371927786 /nfs/dbraw/zinc/92/77/86/371927786.db2.gz XWHMWLDTFFOZCJ-UHFFFAOYSA-N -1 3 226.251 0.709 20 0 BCADHM CC[C@H](C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631635894 372473556 /nfs/dbraw/zinc/47/35/56/372473556.db2.gz TYLFEJNOSRIZSP-YFKPBYRVSA-N -1 3 236.318 0.926 20 0 BCADHM CC(C)C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631640500 372476445 /nfs/dbraw/zinc/47/64/45/372476445.db2.gz HQMXSWYSYUWQDG-UHFFFAOYSA-N -1 3 236.318 0.783 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C1CSC1 ZINC000631694233 372508946 /nfs/dbraw/zinc/50/89/46/372508946.db2.gz QOVDEFZQNCNBGO-UHFFFAOYSA-N -1 3 241.272 0.498 20 0 BCADHM O=c1[nH]cc(S(=O)(=O)[N-]CC2CC2)s1 ZINC000631702339 372513887 /nfs/dbraw/zinc/51/38/87/372513887.db2.gz FLYXYEIPZZZSON-UHFFFAOYSA-N -1 3 234.302 0.537 20 0 BCADHM COCC[C@H](C)[N-]S(=O)(=O)c1conc1C ZINC000631870231 372673810 /nfs/dbraw/zinc/67/38/10/372673810.db2.gz IHXHOVMMYNQVOD-ZETCQYMHSA-N -1 3 248.304 0.686 20 0 BCADHM CC[C@@H](CCO)[N-]S(=O)(=O)c1conc1C ZINC000632021879 372727496 /nfs/dbraw/zinc/72/74/96/372727496.db2.gz UFOORLSDBYQKBO-QMMMGPOBSA-N -1 3 248.304 0.422 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000631988757 372715367 /nfs/dbraw/zinc/71/53/67/372715367.db2.gz JRKFSMHHZAEMAS-MRVPVSSYSA-N -1 3 242.304 0.202 20 0 BCADHM O=c1[nH]cc(S(=O)(=O)[N-]CC(F)F)s1 ZINC000632054337 372740950 /nfs/dbraw/zinc/74/09/50/372740950.db2.gz UIEXJBCWZJAOAR-UHFFFAOYSA-N -1 3 244.244 0.392 20 0 BCADHM COCC1([N-]S(=O)(=O)c2conc2C)CC1 ZINC000632111910 372763441 /nfs/dbraw/zinc/76/34/41/372763441.db2.gz HMWMSBDELPVOTG-UHFFFAOYSA-N -1 3 246.288 0.440 20 0 BCADHM O=C(CNC(=O)c1cccc([O-])c1)NC1CC1 ZINC000035137677 181972793 /nfs/dbraw/zinc/97/27/93/181972793.db2.gz UEWMAWYWYHQLOZ-UHFFFAOYSA-N -1 3 234.255 0.401 20 0 BCADHM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1nncn1C ZINC000632133785 372773955 /nfs/dbraw/zinc/77/39/55/372773955.db2.gz FEUWSDZIQARJAY-MRVPVSSYSA-N -1 3 246.336 0.528 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)[C@@H]1CCC[C@H]1OC ZINC000632221623 372812616 /nfs/dbraw/zinc/81/26/16/372812616.db2.gz QRPJFNCDDGZMEI-NXEZZACHSA-N -1 3 249.332 0.452 20 0 BCADHM COc1nnc(NC(=O)[C@@H](C)c2ccncc2)[n-]1 ZINC000632257950 372842304 /nfs/dbraw/zinc/84/23/04/372842304.db2.gz RLGIYCWOKZCFET-ZETCQYMHSA-N -1 3 247.258 0.951 20 0 BCADHM COc1nc(NC(=O)[C@@H](C)c2ccncc2)n[n-]1 ZINC000632257950 372842311 /nfs/dbraw/zinc/84/23/11/372842311.db2.gz RLGIYCWOKZCFET-ZETCQYMHSA-N -1 3 247.258 0.951 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](C)c2ccncc2)n1 ZINC000632257950 372842316 /nfs/dbraw/zinc/84/23/16/372842316.db2.gz RLGIYCWOKZCFET-ZETCQYMHSA-N -1 3 247.258 0.951 20 0 BCADHM CC(C)=CC[N-]S(=O)(=O)c1nncn1C ZINC000632269391 372849149 /nfs/dbraw/zinc/84/91/49/372849149.db2.gz GSERKRAGJYJLOH-UHFFFAOYSA-N -1 3 230.293 0.060 20 0 BCADHM O=C(COc1cccnc1)[N-]C1=NCCS1 ZINC000263923376 182004800 /nfs/dbraw/zinc/00/48/00/182004800.db2.gz PWYOBLAIXXWTSQ-UHFFFAOYSA-N -1 3 237.284 0.679 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]CCC1(C)CC1 ZINC000632291228 372866453 /nfs/dbraw/zinc/86/64/53/372866453.db2.gz USOKMAWDWOMZMQ-UHFFFAOYSA-N -1 3 244.320 0.284 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)CCOC(C)C)CC1 ZINC000632448175 372952076 /nfs/dbraw/zinc/95/20/76/372952076.db2.gz HBTXKBFWRHWDDD-UHFFFAOYSA-N -1 3 249.332 0.452 20 0 BCADHM O=C(C[C@H]1COCCN1)Nc1ncccc1[O-] ZINC000134758887 182030704 /nfs/dbraw/zinc/03/07/04/182030704.db2.gz PUJHPHQXXZSOJU-QMMMGPOBSA-N -1 3 237.259 0.104 20 0 BCADHM CN(C)C1(C[N-]S(=O)(=O)c2ccco2)CC1 ZINC000632489050 372969394 /nfs/dbraw/zinc/96/93/94/372969394.db2.gz YNCTTYXDJJIDIM-UHFFFAOYSA-N -1 3 244.316 0.652 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)N1CCOCC1 ZINC000336234547 182036796 /nfs/dbraw/zinc/03/67/96/182036796.db2.gz QSMSJQDZHLRFPQ-UHFFFAOYSA-N -1 3 239.246 0.933 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H]1CO[C@@H](C)C1 ZINC000632504121 372976031 /nfs/dbraw/zinc/97/60/31/372976031.db2.gz USGJWEAOXYIGID-POYBYMJQSA-N -1 3 246.288 0.439 20 0 BCADHM C/C=C/C[N-]S(=O)(=O)c1conc1C ZINC000632599223 373025738 /nfs/dbraw/zinc/02/57/38/373025738.db2.gz MFRPPONWHIXJPT-ONEGZZNKSA-N -1 3 216.262 0.837 20 0 BCADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2conc2C)C1 ZINC000632602325 373028162 /nfs/dbraw/zinc/02/81/62/373028162.db2.gz GLRNHYFIMUQWSZ-ZKCHVHJHSA-N -1 3 246.288 0.439 20 0 BCADHM Cc1c(S(=O)(=O)[N-]CC(C)(C)F)cnn1C ZINC000632608240 373028263 /nfs/dbraw/zinc/02/82/63/373028263.db2.gz KGXWGBQRLOONDC-UHFFFAOYSA-N -1 3 249.311 0.755 20 0 BCADHM Cc1cnc(CNC(=O)c2c[n-]nn2)s1 ZINC000172718598 373056755 /nfs/dbraw/zinc/05/67/55/373056755.db2.gz IEJLYQSTZUXUEG-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM Cc1cnc(CNC(=O)c2cnn[n-]2)s1 ZINC000172718598 373056762 /nfs/dbraw/zinc/05/67/62/373056762.db2.gz IEJLYQSTZUXUEG-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM Cc1cnc(CNC(=O)c2cn[n-]n2)s1 ZINC000172718598 373056769 /nfs/dbraw/zinc/05/67/69/373056769.db2.gz IEJLYQSTZUXUEG-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCCNC2=O)n1 ZINC000632787141 373141050 /nfs/dbraw/zinc/14/10/50/373141050.db2.gz SVSCTVXVBSYVDC-QMMMGPOBSA-N -1 3 249.270 0.560 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333972338 182085772 /nfs/dbraw/zinc/08/57/72/182085772.db2.gz XAOUOOKFZPYDQL-YIZRAAEISA-N -1 3 246.266 0.763 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1CCSC1 ZINC000336511962 182085849 /nfs/dbraw/zinc/08/58/49/182085849.db2.gz CHBNBERXVCBCBN-ZETCQYMHSA-N -1 3 224.285 0.901 20 0 BCADHM COC(=O)[C@](C)([N-]S(=O)(=O)C1CC1)C1CC1 ZINC000173175795 373246626 /nfs/dbraw/zinc/24/66/26/373246626.db2.gz GDWVQZHRKHHDTB-SNVBAGLBSA-N -1 3 247.316 0.410 20 0 BCADHM Cc1nocc1C(=O)[N-]c1nc(N(C)C)n[nH]1 ZINC000633013226 373251588 /nfs/dbraw/zinc/25/15/88/373251588.db2.gz VISWBCZFINZYDA-UHFFFAOYSA-N -1 3 236.235 0.419 20 0 BCADHM O=C(CNC(=O)c1cccc([O-])c1)N1CCC1 ZINC000275163895 182120686 /nfs/dbraw/zinc/12/06/86/182120686.db2.gz SIPVGXRGXQODMT-UHFFFAOYSA-N -1 3 234.255 0.354 20 0 BCADHM O=C(NCC1(CO)COC1)c1ccccc1[O-] ZINC000269623177 182130710 /nfs/dbraw/zinc/13/07/10/182130710.db2.gz NZHIRAKVWFCHGG-UHFFFAOYSA-N -1 3 237.255 0.131 20 0 BCADHM O=C(NCC1CCSCC1)c1c[n-]nn1 ZINC000123513389 182147404 /nfs/dbraw/zinc/14/74/04/182147404.db2.gz LSKYOLCUXPWCDY-UHFFFAOYSA-N -1 3 226.305 0.678 20 0 BCADHM O=C(NCC1CCSCC1)c1cnn[n-]1 ZINC000123513389 182147406 /nfs/dbraw/zinc/14/74/06/182147406.db2.gz LSKYOLCUXPWCDY-UHFFFAOYSA-N -1 3 226.305 0.678 20 0 BCADHM O=C(NCC1CCSCC1)c1cn[n-]n1 ZINC000123513389 182147408 /nfs/dbraw/zinc/14/74/08/182147408.db2.gz LSKYOLCUXPWCDY-UHFFFAOYSA-N -1 3 226.305 0.678 20 0 BCADHM O=C(NCCCCCO)c1ccc(O)cc1[O-] ZINC000193051612 182161932 /nfs/dbraw/zinc/16/19/32/182161932.db2.gz LQIPLCGZIZQEGN-UHFFFAOYSA-N -1 3 239.271 0.990 20 0 BCADHM O=C(NCCCCO)c1ccc(O)cc1[O-] ZINC000193290637 182165267 /nfs/dbraw/zinc/16/52/67/182165267.db2.gz RWEBSWMJEHWRRL-UHFFFAOYSA-N -1 3 225.244 0.600 20 0 BCADHM O=C(NCCCO)c1cc(=O)c2ccccc2[n-]1 ZINC000035607134 182170455 /nfs/dbraw/zinc/17/04/55/182170455.db2.gz HSLZVTXACQWOHM-UHFFFAOYSA-N -1 3 246.266 0.640 20 0 BCADHM O=C(N[C@H]1C[C@@H](CO)C1)c1ccc(O)cc1[O-] ZINC000633837505 373799828 /nfs/dbraw/zinc/79/98/28/373799828.db2.gz OZMMMRQINCAMAA-OCAPTIKFSA-N -1 3 237.255 0.599 20 0 BCADHM O=C(NC[C@@H](O)C1CC1)c1c([O-])cccc1O ZINC000220256656 182219560 /nfs/dbraw/zinc/21/95/60/182219560.db2.gz IZSQOYPXRJGHFR-SNVBAGLBSA-N -1 3 237.255 0.599 20 0 BCADHM O=C(NC1COC1)c1c[n-]nc1-c1ccccn1 ZINC000634259109 374070783 /nfs/dbraw/zinc/07/07/83/374070783.db2.gz PFRXYKYHOOPJOO-UHFFFAOYSA-N -1 3 244.254 0.600 20 0 BCADHM O=C(NC[C@]1(O)CCOC1)c1cccc([O-])c1 ZINC000227687244 182247771 /nfs/dbraw/zinc/24/77/71/182247771.db2.gz LRXDMMVWVKCTKI-GFCCVEGCSA-N -1 3 237.255 0.273 20 0 BCADHM O=C(NCc1ncccc1[O-])c1cnc[nH]1 ZINC000352498292 182273565 /nfs/dbraw/zinc/27/35/65/182273565.db2.gz AVYBSEFLFMVVMJ-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM O=C(NCc1cn2c(n1)CCCC2)c1c[n-]nn1 ZINC000263886401 182268271 /nfs/dbraw/zinc/26/82/71/182268271.db2.gz YJBPFJWXTKUXKL-UHFFFAOYSA-N -1 3 246.274 0.268 20 0 BCADHM O=C(NCc1cn2c(n1)CCCC2)c1cnn[n-]1 ZINC000263886401 182268273 /nfs/dbraw/zinc/26/82/73/182268273.db2.gz YJBPFJWXTKUXKL-UHFFFAOYSA-N -1 3 246.274 0.268 20 0 BCADHM O=C(NCc1cn2c(n1)CCCC2)c1cn[n-]n1 ZINC000263886401 182268276 /nfs/dbraw/zinc/26/82/76/182268276.db2.gz YJBPFJWXTKUXKL-UHFFFAOYSA-N -1 3 246.274 0.268 20 0 BCADHM O=C(NCc1nc2ccccc2o1)c1c[n-]nn1 ZINC000354760948 182271768 /nfs/dbraw/zinc/27/17/68/182271768.db2.gz XPSVOZNPODLCHO-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM O=C(NCc1nc2ccccc2o1)c1cnn[n-]1 ZINC000354760948 182271770 /nfs/dbraw/zinc/27/17/70/182271770.db2.gz XPSVOZNPODLCHO-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM O=C(NCc1nc2ccccc2o1)c1cn[n-]n1 ZINC000354760948 182271771 /nfs/dbraw/zinc/27/17/71/182271771.db2.gz XPSVOZNPODLCHO-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)C1=COCCC1 ZINC000189220846 182282835 /nfs/dbraw/zinc/28/28/35/182282835.db2.gz PTMZYPNLJGASDV-VIFPVBQESA-N -1 3 227.260 0.765 20 0 BCADHM O=C(N[C@@H](CO)CC1CCC1)c1c[n-]nn1 ZINC000279915649 182287799 /nfs/dbraw/zinc/28/77/99/182287799.db2.gz FVIDKZWBCZHJOC-MRVPVSSYSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H](CO)CC1CCC1)c1cnn[n-]1 ZINC000279915649 182287803 /nfs/dbraw/zinc/28/78/03/182287803.db2.gz FVIDKZWBCZHJOC-MRVPVSSYSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H](CO)CC1CCC1)c1cn[n-]n1 ZINC000279915649 182287806 /nfs/dbraw/zinc/28/78/06/182287806.db2.gz FVIDKZWBCZHJOC-MRVPVSSYSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H]1CCN(C2CC2)C1)c1cncc([O-])c1 ZINC000104413960 182303066 /nfs/dbraw/zinc/30/30/66/182303066.db2.gz OFQAWBOVZQXHDT-SNVBAGLBSA-N -1 3 247.298 0.754 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C1)c1ccc2n[n-]nc2c1 ZINC000298254917 182317718 /nfs/dbraw/zinc/31/77/18/182317718.db2.gz FNNGCCCKIHZZTC-OCAPTIKFSA-N -1 3 232.243 0.211 20 0 BCADHM O=C(N[C@@]1(CO)CCOC1)c1cccc([O-])c1 ZINC000273580450 182322683 /nfs/dbraw/zinc/32/26/83/182322683.db2.gz MMQIEVBEBMBTJW-GFCCVEGCSA-N -1 3 237.255 0.273 20 0 BCADHM O=C(Nc1ccc2c(n1)CCC2)c1cnn[n-]1 ZINC000297164925 182365213 /nfs/dbraw/zinc/36/52/13/182365213.db2.gz MZDKWBUUOOQSRA-UHFFFAOYSA-N -1 3 229.243 0.941 20 0 BCADHM O=C(Nc1ccc2c(n1)CCC2)c1c[n-]nn1 ZINC000297164925 182365217 /nfs/dbraw/zinc/36/52/17/182365217.db2.gz MZDKWBUUOOQSRA-UHFFFAOYSA-N -1 3 229.243 0.941 20 0 BCADHM O=C(Nc1ccc2c(n1)CCC2)c1cn[n-]n1 ZINC000297164925 182365219 /nfs/dbraw/zinc/36/52/19/182365219.db2.gz MZDKWBUUOOQSRA-UHFFFAOYSA-N -1 3 229.243 0.941 20 0 BCADHM O=C([N-]c1nc2ccccc2[nH]1)C(=O)NC1CC1 ZINC000265261366 182398059 /nfs/dbraw/zinc/39/80/59/182398059.db2.gz ULANUNNCJHCKJP-UHFFFAOYSA-N -1 3 244.254 0.780 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CCCCN1 ZINC000082259260 182399026 /nfs/dbraw/zinc/39/90/26/182399026.db2.gz RUBZYQCHKQAUFY-MRVPVSSYSA-N -1 3 221.260 0.868 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1nnc[nH]1 ZINC000367699530 182399296 /nfs/dbraw/zinc/39/92/96/182399296.db2.gz QRUHIEIISFTKAL-RQJHMYQMSA-N -1 3 245.242 0.648 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1nc[nH]n1 ZINC000367699530 182399298 /nfs/dbraw/zinc/39/92/98/182399298.db2.gz QRUHIEIISFTKAL-RQJHMYQMSA-N -1 3 245.242 0.648 20 0 BCADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1c[nH]cn1 ZINC000357237900 182396620 /nfs/dbraw/zinc/39/66/20/182396620.db2.gz FJQORAUFRZPCNR-UHFFFAOYSA-N -1 3 246.152 0.799 20 0 BCADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1c[nH]cn1 ZINC000357237900 182396621 /nfs/dbraw/zinc/39/66/21/182396621.db2.gz FJQORAUFRZPCNR-UHFFFAOYSA-N -1 3 246.152 0.799 20 0 BCADHM O=S(=O)(CCCO)c1cccc([O-])c1 ZINC000183979775 182888313 /nfs/dbraw/zinc/88/83/13/182888313.db2.gz VHIKLPMVILJGDA-UHFFFAOYSA-N -1 3 216.258 0.548 20 0 BCADHM O=c1nc(C2CCN(Cc3ccon3)CC2)[nH][n-]1 ZINC000280996149 183010037 /nfs/dbraw/zinc/01/00/37/183010037.db2.gz MFKOIQLLQOCSLH-UHFFFAOYSA-N -1 3 249.274 0.466 20 0 BCADHM O=c1nc(CN[C@@H](CCO)c2ccccc2)[nH][n-]1 ZINC000271659187 183010158 /nfs/dbraw/zinc/01/01/58/183010158.db2.gz KUGRYDDRCQGNFU-JTQLQIEISA-N -1 3 248.286 0.311 20 0 BCADHM O=c1nc(CN2CCOCc3ccccc32)[nH][n-]1 ZINC000280459904 183010494 /nfs/dbraw/zinc/01/04/94/183010494.db2.gz OIZGYEBIJANMOP-UHFFFAOYSA-N -1 3 246.270 0.635 20 0 BCADHM O=c1nc(CN2C[C@@H](CO)c3ccccc32)[nH][n-]1 ZINC000292667867 183010927 /nfs/dbraw/zinc/01/09/27/183010927.db2.gz LJJQPGZKJINRQL-QMMMGPOBSA-N -1 3 246.270 0.194 20 0 BCADHM [O-]c1cccc(CNC[C@H](O)CO)c1Cl ZINC000293152221 183111855 /nfs/dbraw/zinc/11/18/55/183111855.db2.gz DVNBHVSXFWWYHM-QMMMGPOBSA-N -1 3 231.679 0.488 20 0 BCADHM CCCCc1noc(CO[N-]C(C)=O)n1 ZINC000176859018 169031098 /nfs/dbraw/zinc/03/10/98/169031098.db2.gz JGVTZHLLKAIJGC-UHFFFAOYSA-N -1 3 213.237 0.980 20 0 BCADHM OC[C@H](N=c1ncnc2[nH][n-]cc1-2)C1CCCC1 ZINC000357777660 183139057 /nfs/dbraw/zinc/13/90/57/183139057.db2.gz AKXHPNOAURQGGG-JTQLQIEISA-N -1 3 247.302 0.689 20 0 BCADHM [O-]c1cccc(CNC[C@@H](O)CO)c1Cl ZINC000293152218 183142199 /nfs/dbraw/zinc/14/21/99/183142199.db2.gz DVNBHVSXFWWYHM-MRVPVSSYSA-N -1 3 231.679 0.488 20 0 BCADHM CCCN(C)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000330446561 169061148 /nfs/dbraw/zinc/06/11/48/169061148.db2.gz XWKJCMCRGBVLPY-UHFFFAOYSA-N -1 3 238.291 0.730 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)CN(CC)CC ZINC000184889001 169096612 /nfs/dbraw/zinc/09/66/12/169096612.db2.gz KEKNSYLYFSFSJI-UHFFFAOYSA-N -1 3 230.308 0.651 20 0 BCADHM [O-]c1ccc(F)c(CN2C[C@@H](O)[C@@H](O)C2)c1F ZINC000294713367 183273597 /nfs/dbraw/zinc/27/35/97/183273597.db2.gz OVRLKLZNXNQAQE-AOOOYVTPSA-N -1 3 245.225 0.208 20 0 BCADHM O=c1cc(CN=c2ncnc3[nH][n-]cc2-3)cc[nH]1 ZINC000340831940 183257071 /nfs/dbraw/zinc/25/70/71/183257071.db2.gz HRFBGFWVPZLIAK-UHFFFAOYSA-N -1 3 242.242 0.439 20 0 BCADHM O=c1[n-]c(CN2CC[C@@H](C3CC3)C2)n[nH]1 ZINC000329289663 183307575 /nfs/dbraw/zinc/30/75/75/183307575.db2.gz MZFZXECLLSDESX-MRVPVSSYSA-N -1 3 208.265 0.742 20 0 BCADHM O=c1[n-]c(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)n[nH]1 ZINC000331403931 183307702 /nfs/dbraw/zinc/30/77/02/183307702.db2.gz BFHOPARPCKEUNB-XHNCKOQMSA-N -1 3 238.291 0.103 20 0 BCADHM CCCNS(=O)(=O)[N-]CC(F)F ZINC000308000532 169271635 /nfs/dbraw/zinc/27/16/35/169271635.db2.gz ZGYYYCSFJIPXTK-UHFFFAOYSA-N -1 3 202.226 0.086 20 0 BCADHM CCC[N-]S(=O)(=O)c1cccc2nonc21 ZINC000002496301 169272860 /nfs/dbraw/zinc/27/28/60/169272860.db2.gz KMGPMYMDZQXIJT-UHFFFAOYSA-N -1 3 241.272 0.911 20 0 BCADHM CCC[N-]S(=O)(=O)c1cscn1 ZINC000335438347 169273151 /nfs/dbraw/zinc/27/31/51/169273151.db2.gz LYSWCYYWUUSPJC-UHFFFAOYSA-N -1 3 206.292 0.831 20 0 BCADHM CCC[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000371602750 169273512 /nfs/dbraw/zinc/27/35/12/169273512.db2.gz SYJJTGRXBQOVCX-UHFFFAOYSA-N -1 3 243.332 0.908 20 0 BCADHM CCCS(=O)(=O)[N-]Cc1nc(C)no1 ZINC000044454523 169332835 /nfs/dbraw/zinc/33/28/35/169332835.db2.gz WPFROHKJBOCBOE-UHFFFAOYSA-N -1 3 219.266 0.207 20 0 BCADHM CCC[C@@H](NC(=O)CN(CC)CC)C(=O)[O-] ZINC000185010433 169395627 /nfs/dbraw/zinc/39/56/27/169395627.db2.gz MRNDGCJVOUUMKX-SECBINFHSA-N -1 3 230.308 0.698 20 0 BCADHM CC[C@@H](CO)[N-]S(=O)(=O)c1c(C)noc1C ZINC000035610439 383862254 /nfs/dbraw/zinc/86/22/54/383862254.db2.gz YZEIJNRLDJOWAU-QMMMGPOBSA-N -1 3 248.304 0.341 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCCOC1 ZINC000288330395 383865772 /nfs/dbraw/zinc/86/57/72/383865772.db2.gz DYBJVUPWVDLSEJ-UHFFFAOYSA-N -1 3 232.243 0.778 20 0 BCADHM CN(CC(C)(C)C)C(=O)CN1CC(=O)[N-]C1=O ZINC000111596477 383869569 /nfs/dbraw/zinc/86/95/69/383869569.db2.gz JKQAPDVGOFCPJI-UHFFFAOYSA-N -1 3 241.291 0.043 20 0 BCADHM O=C(C[N-]c1nnc(C2CC2)o1)NC1CC1 ZINC000278456650 383999754 /nfs/dbraw/zinc/99/97/54/383999754.db2.gz SIQODRHSVPRIKF-UHFFFAOYSA-N -1 3 222.248 0.638 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)CC(C)(C)C ZINC000070712717 383959546 /nfs/dbraw/zinc/95/95/46/383959546.db2.gz RZUQYTXOBXQMJN-UHFFFAOYSA-N -1 3 223.294 0.125 20 0 BCADHM CC[C@H](CN1CCCC1)NC(=O)[C@H](C)C(=O)[O-] ZINC000647157626 384050618 /nfs/dbraw/zinc/05/06/18/384050618.db2.gz MCSURWXOBSAMCN-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM Cc1cccc([O-])c1NC(=O)CCNC(N)=O ZINC000558480145 384035514 /nfs/dbraw/zinc/03/55/14/384035514.db2.gz COJVKAWDUKEIRQ-UHFFFAOYSA-N -1 3 237.259 0.698 20 0 BCADHM Cc1cccc(C(=O)NC[C@](C)(O)CO)c1[O-] ZINC000090284522 384037671 /nfs/dbraw/zinc/03/76/71/384037671.db2.gz OEIPUEDNPTWNBX-LBPRGKRZSA-N -1 3 239.271 0.174 20 0 BCADHM Cc1ccc(C(=O)NC[C@@](C)(O)CO)c([O-])c1 ZINC000090285014 384038902 /nfs/dbraw/zinc/03/89/02/384038902.db2.gz DHUHULBBXLFQBX-GFCCVEGCSA-N -1 3 239.271 0.174 20 0 BCADHM Cc1cccc(C(=O)NC[C@@](C)(O)CO)c1[O-] ZINC000090284523 384039027 /nfs/dbraw/zinc/03/90/27/384039027.db2.gz OEIPUEDNPTWNBX-GFCCVEGCSA-N -1 3 239.271 0.174 20 0 BCADHM O=c1[n-]c(=O)n(CC2CCOCC2)cc1Cl ZINC000091329655 384086944 /nfs/dbraw/zinc/08/69/44/384086944.db2.gz QGJFSSNJQIKVBF-UHFFFAOYSA-N -1 3 244.678 0.617 20 0 BCADHM COC[C@H](O)CNC(=O)c1cc(C)ccc1[O-] ZINC000071263793 384156385 /nfs/dbraw/zinc/15/63/85/384156385.db2.gz ZHJKGVDXYPSBPI-SECBINFHSA-N -1 3 239.271 0.438 20 0 BCADHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccco1 ZINC000188712471 384161747 /nfs/dbraw/zinc/16/17/47/384161747.db2.gz NGYROKHKXMJHNN-JTQLQIEISA-N -1 3 247.316 0.965 20 0 BCADHM CC(C)[C@@H](O)CNC(=O)c1c([O-])cccc1O ZINC000092125480 384164161 /nfs/dbraw/zinc/16/41/61/384164161.db2.gz MVJNXNVIEWKYQQ-JTQLQIEISA-N -1 3 239.271 0.845 20 0 BCADHM CC[C@@H](CCO)NC(=O)c1c([O-])cccc1O ZINC000092125669 384164742 /nfs/dbraw/zinc/16/47/42/384164742.db2.gz WJTAGVHXSFBHSM-QMMMGPOBSA-N -1 3 239.271 0.989 20 0 BCADHM CC[C@H](CCO)NC(=O)c1c([O-])cccc1O ZINC000092125671 384164981 /nfs/dbraw/zinc/16/49/81/384164981.db2.gz WJTAGVHXSFBHSM-MRVPVSSYSA-N -1 3 239.271 0.989 20 0 BCADHM CC[C@H]1C(=O)NCCN1Cc1nc(C)ccc1[O-] ZINC000093049800 384207730 /nfs/dbraw/zinc/20/77/30/384207730.db2.gz QOEUTNVHPQYOJT-NSHDSACASA-N -1 3 249.314 0.806 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C[C@H](C)OC)c1 ZINC000224119222 384215623 /nfs/dbraw/zinc/21/56/23/384215623.db2.gz QVONDIOWJUKRQT-QMMMGPOBSA-N -1 3 247.320 0.216 20 0 BCADHM CCO[N-]C(=O)CCCCc1c[nH]nn1 ZINC000159217426 384309946 /nfs/dbraw/zinc/30/99/46/384309946.db2.gz IOZUWZGMTWPCEN-UHFFFAOYSA-N -1 3 212.253 0.585 20 0 BCADHM CC[C@](C)(C[N-]S(=O)(=O)c1c[nH]cn1)OC ZINC000323168696 384302777 /nfs/dbraw/zinc/30/27/77/384302777.db2.gz VNNWRXZCRGBCJO-SECBINFHSA-N -1 3 247.320 0.503 20 0 BCADHM CC(C)[C@@H](O)C[N-]S(=O)(=O)Cc1ccon1 ZINC000120614597 384364026 /nfs/dbraw/zinc/36/40/26/384364026.db2.gz OXRRTTJVLBJRQL-VIFPVBQESA-N -1 3 248.304 0.111 20 0 BCADHM CO[N-]C(=O)Cc1ccc2c(c1)OCO2 ZINC000120184591 384333735 /nfs/dbraw/zinc/33/37/35/384333735.db2.gz RYENDULOZSPSJO-UHFFFAOYSA-N -1 3 209.201 0.635 20 0 BCADHM CC(C)C(=O)Nc1nnc(SCCO)[n-]1 ZINC000120707996 384376303 /nfs/dbraw/zinc/37/63/03/384376303.db2.gz HROKANRUMKKQSP-UHFFFAOYSA-N -1 3 230.293 0.484 20 0 BCADHM CC(C)C(=O)Nc1nc(SCCO)n[n-]1 ZINC000120707996 384376305 /nfs/dbraw/zinc/37/63/05/384376305.db2.gz HROKANRUMKKQSP-UHFFFAOYSA-N -1 3 230.293 0.484 20 0 BCADHM CC(C)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000120707996 384376306 /nfs/dbraw/zinc/37/63/06/384376306.db2.gz HROKANRUMKKQSP-UHFFFAOYSA-N -1 3 230.293 0.484 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCCOC(N)=O)c1 ZINC000135235487 384428222 /nfs/dbraw/zinc/42/82/22/384428222.db2.gz MBBFIMDJKPFUGN-UHFFFAOYSA-N -1 3 238.243 0.526 20 0 BCADHM CC[C@H](CO)NC(=O)c1c([O-])cccc1O ZINC000121723969 384434937 /nfs/dbraw/zinc/43/49/37/384434937.db2.gz GCPDATNGCZLTAG-SSDOTTSWSA-N -1 3 225.244 0.599 20 0 BCADHM Cc1ccc(C(=O)NCc2nncn2C)c([O-])c1 ZINC000047892543 384470760 /nfs/dbraw/zinc/47/07/60/384470760.db2.gz DKFSTYTVKHRZAK-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM C[C@H]1CCCN(CC(=O)Nc2nnn[n-]2)[C@H]1C ZINC000556810666 384498565 /nfs/dbraw/zinc/49/85/65/384498565.db2.gz NVYPHLCGVPKXEJ-YUMQZZPRSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@H]1CCCN(CC(=O)Nc2nn[n-]n2)[C@H]1C ZINC000556810666 384498569 /nfs/dbraw/zinc/49/85/69/384498569.db2.gz NVYPHLCGVPKXEJ-YUMQZZPRSA-N -1 3 238.295 0.259 20 0 BCADHM COC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000359792904 384508634 /nfs/dbraw/zinc/50/86/34/384508634.db2.gz AEVTUZFURQUFOB-GFCCVEGCSA-N -1 3 248.238 0.528 20 0 BCADHM CO[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000079390320 384494119 /nfs/dbraw/zinc/49/41/19/384494119.db2.gz FOTHTGYBPNWLSQ-ZETCQYMHSA-N -1 3 247.258 0.840 20 0 BCADHM CO[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000079390320 384494125 /nfs/dbraw/zinc/49/41/25/384494125.db2.gz FOTHTGYBPNWLSQ-ZETCQYMHSA-N -1 3 247.258 0.840 20 0 BCADHM O=C(c1ccc(F)cc1[O-])N1CCCNCC1 ZINC000236570916 384525906 /nfs/dbraw/zinc/52/59/06/384525906.db2.gz DQTNDFPHLOAXNX-UHFFFAOYSA-N -1 3 238.262 0.967 20 0 BCADHM CC(C)(C)C(=O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000085632908 384550050 /nfs/dbraw/zinc/55/00/50/384550050.db2.gz KMZTXCQDHGCMLV-UHFFFAOYSA-N -1 3 244.678 0.805 20 0 BCADHM CC[C@@H](O)CNC(=O)c1c([O-])cccc1O ZINC000232436234 259654176 /nfs/dbraw/zinc/65/41/76/259654176.db2.gz TYRVHTHPXVGCPD-SSDOTTSWSA-N -1 3 225.244 0.599 20 0 BCADHM Cc1cc(C(=O)NCCn2cncn2)ccc1[O-] ZINC000272428191 384618795 /nfs/dbraw/zinc/61/87/95/384618795.db2.gz LAQMGBBEWZDEDV-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM CCCN(CCO)C(=O)c1ccc(O)cc1[O-] ZINC000042239846 384634549 /nfs/dbraw/zinc/63/45/49/384634549.db2.gz SJPXSTVSVQTSBT-UHFFFAOYSA-N -1 3 239.271 0.942 20 0 BCADHM CO[C@H]1CCN(C(=O)Cc2cncc([O-])c2)C1 ZINC000569623518 384641527 /nfs/dbraw/zinc/64/15/27/384641527.db2.gz NCJZCCXWAVZLGW-NSHDSACASA-N -1 3 236.271 0.577 20 0 BCADHM CC(C)(C)OC(=O)CCNC(=O)c1c[n-]nn1 ZINC000172964061 384641663 /nfs/dbraw/zinc/64/16/63/384641663.db2.gz YZFKDBOPXIUBJI-UHFFFAOYSA-N -1 3 240.263 0.266 20 0 BCADHM CC(C)(C)OC(=O)CCNC(=O)c1cnn[n-]1 ZINC000172964061 384641668 /nfs/dbraw/zinc/64/16/68/384641668.db2.gz YZFKDBOPXIUBJI-UHFFFAOYSA-N -1 3 240.263 0.266 20 0 BCADHM CC(C)(C)OC(=O)CCNC(=O)c1cn[n-]n1 ZINC000172964061 384641673 /nfs/dbraw/zinc/64/16/73/384641673.db2.gz YZFKDBOPXIUBJI-UHFFFAOYSA-N -1 3 240.263 0.266 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)CCC(C)C ZINC000111658166 384685754 /nfs/dbraw/zinc/68/57/54/384685754.db2.gz HEBCSGMZUVGIMU-MRVPVSSYSA-N -1 3 237.321 0.513 20 0 BCADHM C[C@H](O)CN(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000051819451 384689637 /nfs/dbraw/zinc/68/96/37/384689637.db2.gz CBLAXHYRKAZPHC-ZETCQYMHSA-N -1 3 234.259 0.411 20 0 BCADHM C[C@@H](O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000082994610 384734280 /nfs/dbraw/zinc/73/42/80/384734280.db2.gz KHRGRYNLDGKOCG-MRVPVSSYSA-N -1 3 247.291 0.875 20 0 BCADHM C[C@@H]1C[C@H](CNC(=O)c2c[n-]nn2)CCO1 ZINC000271447800 384736367 /nfs/dbraw/zinc/73/63/67/384736367.db2.gz YJTLTRNAGQGVKG-HTQZYQBOSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H]1C[C@H](CNC(=O)c2cnn[n-]2)CCO1 ZINC000271447800 384736371 /nfs/dbraw/zinc/73/63/71/384736371.db2.gz YJTLTRNAGQGVKG-HTQZYQBOSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H]1C[C@H](CNC(=O)c2cn[n-]n2)CCO1 ZINC000271447800 384736372 /nfs/dbraw/zinc/73/63/72/384736372.db2.gz YJTLTRNAGQGVKG-HTQZYQBOSA-N -1 3 224.264 0.350 20 0 BCADHM CNC(=O)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000323034143 384748242 /nfs/dbraw/zinc/74/82/42/384748242.db2.gz YEKCJXBJJRDNIN-MRVPVSSYSA-N -1 3 236.271 0.647 20 0 BCADHM CNC(=O)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC000323034144 384748837 /nfs/dbraw/zinc/74/88/37/384748837.db2.gz YEKCJXBJJRDNIN-QMMMGPOBSA-N -1 3 236.271 0.647 20 0 BCADHM CO[N-]C(=O)CCCN(C)C(=O)OC ZINC000104236810 384816250 /nfs/dbraw/zinc/81/62/50/384816250.db2.gz XXRQIEHSYCCRIX-UHFFFAOYSA-N -1 3 204.226 0.142 20 0 BCADHM CN(C(=O)c1cncc([O-])c1)C1CCN(C)CC1 ZINC000104420863 384828620 /nfs/dbraw/zinc/82/86/20/384828620.db2.gz LOGRAPDFKIGIAW-UHFFFAOYSA-N -1 3 249.314 0.953 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H](C)SC ZINC000559237906 384833483 /nfs/dbraw/zinc/83/34/83/384833483.db2.gz YCVDGAIIEWXOIW-RXMQYKEDSA-N -1 3 243.288 0.886 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H](C)SC ZINC000559237906 384833488 /nfs/dbraw/zinc/83/34/88/384833488.db2.gz YCVDGAIIEWXOIW-RXMQYKEDSA-N -1 3 243.288 0.886 20 0 BCADHM C[C@H](CCc1cccn1C)NC(=O)c1c[n-]nn1 ZINC000174434512 384791817 /nfs/dbraw/zinc/79/18/17/384791817.db2.gz RIOVTMVASIGFJP-SECBINFHSA-N -1 3 247.302 0.894 20 0 BCADHM C[C@H](CCc1cccn1C)NC(=O)c1cnn[n-]1 ZINC000174434512 384791822 /nfs/dbraw/zinc/79/18/22/384791822.db2.gz RIOVTMVASIGFJP-SECBINFHSA-N -1 3 247.302 0.894 20 0 BCADHM C[C@H](CCc1cccn1C)NC(=O)c1cn[n-]n1 ZINC000174434512 384791826 /nfs/dbraw/zinc/79/18/26/384791826.db2.gz RIOVTMVASIGFJP-SECBINFHSA-N -1 3 247.302 0.894 20 0 BCADHM O=C(c1ccccc1[O-])N1CCO[C@H](CO)C1 ZINC000126366502 384796468 /nfs/dbraw/zinc/79/64/68/384796468.db2.gz CFGPYOWBGKIKSQ-VIFPVBQESA-N -1 3 237.255 0.226 20 0 BCADHM O=S(=O)(CC1CCC1)[N-]C1COCCOC1 ZINC000644287977 384797055 /nfs/dbraw/zinc/79/70/55/384797055.db2.gz JPKOBRMFTLRTEI-UHFFFAOYSA-N -1 3 249.332 0.121 20 0 BCADHM Cc1cc(C(=O)NCc2nnn(C)n2)ccc1[O-] ZINC000398194940 384837176 /nfs/dbraw/zinc/83/71/76/384837176.db2.gz CDJFMCMUBVNCKC-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM CC(=O)[N-]OCc1cccc(C(=O)N(C)C)c1 ZINC000084489747 384873147 /nfs/dbraw/zinc/87/31/47/384873147.db2.gz QYFACGXLNDOHAX-UHFFFAOYSA-N -1 3 236.271 0.956 20 0 BCADHM CC[C@@H](O)CNC(=O)Cc1cncc([O-])c1 ZINC000618402225 384865759 /nfs/dbraw/zinc/86/57/59/384865759.db2.gz TYZSKYDMARQWCQ-SECBINFHSA-N -1 3 224.260 0.217 20 0 BCADHM CO[C@@H](C)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000164026888 384897624 /nfs/dbraw/zinc/89/76/24/384897624.db2.gz KIHNIBDHQSBVST-YFKPBYRVSA-N -1 3 218.640 0.225 20 0 BCADHM C[C@H](O)CN(C)C(=O)c1cccc([O-])c1 ZINC000051817847 384905913 /nfs/dbraw/zinc/90/59/13/384905913.db2.gz IHGARZRJUTWNIR-QMMMGPOBSA-N -1 3 209.245 0.845 20 0 BCADHM CC[C@H](CSC)NC(=O)c1c[n-]nn1 ZINC000162204698 384910119 /nfs/dbraw/zinc/91/01/19/384910119.db2.gz VGNPQOPTYYDWJC-ZCFIWIBFSA-N -1 3 214.294 0.676 20 0 BCADHM CC[C@H](CSC)NC(=O)c1cnn[n-]1 ZINC000162204698 384910122 /nfs/dbraw/zinc/91/01/22/384910122.db2.gz VGNPQOPTYYDWJC-ZCFIWIBFSA-N -1 3 214.294 0.676 20 0 BCADHM CC[C@H](CSC)NC(=O)c1cn[n-]n1 ZINC000162204698 384910127 /nfs/dbraw/zinc/91/01/27/384910127.db2.gz VGNPQOPTYYDWJC-ZCFIWIBFSA-N -1 3 214.294 0.676 20 0 BCADHM CC(C)[C@H](O)C(C)(C)CNC(=O)c1c[n-]nn1 ZINC000127535708 384910671 /nfs/dbraw/zinc/91/06/71/384910671.db2.gz CDCZZSXTSWBBAB-VIFPVBQESA-N -1 3 240.307 0.578 20 0 BCADHM CC(C)[C@H](O)C(C)(C)CNC(=O)c1cnn[n-]1 ZINC000127535708 384910675 /nfs/dbraw/zinc/91/06/75/384910675.db2.gz CDCZZSXTSWBBAB-VIFPVBQESA-N -1 3 240.307 0.578 20 0 BCADHM CC(C)[C@H](O)C(C)(C)CNC(=O)c1cn[n-]n1 ZINC000127535708 384910680 /nfs/dbraw/zinc/91/06/80/384910680.db2.gz CDCZZSXTSWBBAB-VIFPVBQESA-N -1 3 240.307 0.578 20 0 BCADHM O=S(=O)([N-]CCC1CC1)c1c[nH]cn1 ZINC000083912117 385007292 /nfs/dbraw/zinc/00/72/92/385007292.db2.gz YNEDUWFKDPNVDR-UHFFFAOYSA-N -1 3 215.278 0.488 20 0 BCADHM O=C(Nc1cc2ccccn2n1)c1nnc[n-]1 ZINC000557538283 385012086 /nfs/dbraw/zinc/01/20/86/385012086.db2.gz LWSQMFNEDZSNPP-UHFFFAOYSA-N -1 3 228.215 0.705 20 0 BCADHM O=C(Nc1cc2ccccn2n1)c1nc[n-]n1 ZINC000557538283 385012089 /nfs/dbraw/zinc/01/20/89/385012089.db2.gz LWSQMFNEDZSNPP-UHFFFAOYSA-N -1 3 228.215 0.705 20 0 BCADHM CCc1ccc(C(=O)NCC(=O)OC)c([O-])c1 ZINC000188486605 385058717 /nfs/dbraw/zinc/05/87/17/385058717.db2.gz CVOKMKIUNLWTFN-UHFFFAOYSA-N -1 3 237.255 0.857 20 0 BCADHM OC1CC(CCN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000559329508 385071369 /nfs/dbraw/zinc/07/13/69/385071369.db2.gz HSVRUYOIALRHSP-UHFFFAOYSA-N -1 3 233.275 0.299 20 0 BCADHM CN1CCC[C@@H](Sc2n[n-]c(CO)n2)C1=O ZINC000557658794 385076814 /nfs/dbraw/zinc/07/68/14/385076814.db2.gz PYSRENXCLOERDJ-ZCFIWIBFSA-N -1 3 242.304 0.010 20 0 BCADHM O=C(NC1CC(F)(F)C1)c1c[n-]nn1 ZINC000408385760 385082654 /nfs/dbraw/zinc/08/26/54/385082654.db2.gz OAORUFJUBZWZJZ-UHFFFAOYSA-N -1 3 202.164 0.332 20 0 BCADHM O=C(NC1CC(F)(F)C1)c1cnn[n-]1 ZINC000408385760 385082665 /nfs/dbraw/zinc/08/26/65/385082665.db2.gz OAORUFJUBZWZJZ-UHFFFAOYSA-N -1 3 202.164 0.332 20 0 BCADHM O=C(NC1CC(F)(F)C1)c1cn[n-]n1 ZINC000408385760 385082671 /nfs/dbraw/zinc/08/26/71/385082671.db2.gz OAORUFJUBZWZJZ-UHFFFAOYSA-N -1 3 202.164 0.332 20 0 BCADHM Cc1cnc([C@H](C)NC(=O)c2c[n-]nn2)o1 ZINC000226615700 385034126 /nfs/dbraw/zinc/03/41/26/385034126.db2.gz ULVKGYKZGHPRTC-LURJTMIESA-N -1 3 221.220 0.592 20 0 BCADHM Cc1cnc([C@H](C)NC(=O)c2cnn[n-]2)o1 ZINC000226615700 385034131 /nfs/dbraw/zinc/03/41/31/385034131.db2.gz ULVKGYKZGHPRTC-LURJTMIESA-N -1 3 221.220 0.592 20 0 BCADHM Cc1cnc([C@H](C)NC(=O)c2cn[n-]n2)o1 ZINC000226615700 385034138 /nfs/dbraw/zinc/03/41/38/385034138.db2.gz ULVKGYKZGHPRTC-LURJTMIESA-N -1 3 221.220 0.592 20 0 BCADHM CS[C@H](C)CNC(=O)c1c[n-]nn1 ZINC000130429435 385039398 /nfs/dbraw/zinc/03/93/98/385039398.db2.gz YBJSLUUPYHSPAG-RXMQYKEDSA-N -1 3 200.267 0.286 20 0 BCADHM CS[C@H](C)CNC(=O)c1cnn[n-]1 ZINC000130429435 385039405 /nfs/dbraw/zinc/03/94/05/385039405.db2.gz YBJSLUUPYHSPAG-RXMQYKEDSA-N -1 3 200.267 0.286 20 0 BCADHM CS[C@H](C)CNC(=O)c1cn[n-]n1 ZINC000130429435 385039411 /nfs/dbraw/zinc/03/94/11/385039411.db2.gz YBJSLUUPYHSPAG-RXMQYKEDSA-N -1 3 200.267 0.286 20 0 BCADHM C[C@H](CF)NC(=O)c1csc(=O)[n-]1 ZINC000306630239 385136865 /nfs/dbraw/zinc/13/68/65/385136865.db2.gz KPPHXRMLFASUFD-SCSAIBSYSA-N -1 3 204.226 0.524 20 0 BCADHM C[C@H](CCCO)[N-]S(=O)(=O)c1ccco1 ZINC000188756620 385085999 /nfs/dbraw/zinc/08/59/99/385085999.db2.gz DHGCAQGEWCDFAL-MRVPVSSYSA-N -1 3 233.289 0.719 20 0 BCADHM CC[C@H](CCO)C[N-]S(=O)(=O)c1ccco1 ZINC000188755190 385087523 /nfs/dbraw/zinc/08/75/23/385087523.db2.gz ZOYUMEOEBAOUPY-SECBINFHSA-N -1 3 247.316 0.967 20 0 BCADHM CN(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC000060942382 385102647 /nfs/dbraw/zinc/10/26/47/385102647.db2.gz ILCPWYGGGNVELU-UHFFFAOYSA-N -1 3 235.287 0.611 20 0 BCADHM Cc1cc(C(=O)N[C@H]2CCO[C@H]2C)[n-]c(=O)n1 ZINC000129827352 385192216 /nfs/dbraw/zinc/19/22/16/385192216.db2.gz QFNJSBZORBLBLP-YUMQZZPRSA-N -1 3 237.259 0.398 20 0 BCADHM O=C(/C=C\c1nc2ccccc2o1)[N-]OCCO ZINC000492030078 385192683 /nfs/dbraw/zinc/19/26/83/385192683.db2.gz HYVMOVOZPMMFKI-WAYWQWQTSA-N -1 3 248.238 0.881 20 0 BCADHM CCCCN(C)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000336686440 385145466 /nfs/dbraw/zinc/14/54/66/385145466.db2.gz USKYNJZUZORWCQ-UHFFFAOYSA-N -1 3 220.280 0.953 20 0 BCADHM C[C@H]1OCC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000129922528 385201292 /nfs/dbraw/zinc/20/12/92/385201292.db2.gz KUXUZPXSWATAJH-VXNVDRBHSA-N -1 3 246.270 0.865 20 0 BCADHM Cn1cc([N-]S(=O)(=O)CCC2CC2)cn1 ZINC000129991192 385208662 /nfs/dbraw/zinc/20/86/62/385208662.db2.gz SXBZBIVYABNSLQ-UHFFFAOYSA-N -1 3 229.305 0.962 20 0 BCADHM CO[C@H]1C[C@@H](NC(=O)c2c[n-]nn2)C1(C)C ZINC000227818639 385243165 /nfs/dbraw/zinc/24/31/65/385243165.db2.gz APJCCAJQBLGPGK-SFYZADRCSA-N -1 3 224.264 0.348 20 0 BCADHM CO[C@H]1C[C@@H](NC(=O)c2cnn[n-]2)C1(C)C ZINC000227818639 385243174 /nfs/dbraw/zinc/24/31/74/385243174.db2.gz APJCCAJQBLGPGK-SFYZADRCSA-N -1 3 224.264 0.348 20 0 BCADHM CO[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1(C)C ZINC000227818639 385243180 /nfs/dbraw/zinc/24/31/80/385243180.db2.gz APJCCAJQBLGPGK-SFYZADRCSA-N -1 3 224.264 0.348 20 0 BCADHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)CO)c1 ZINC000153355670 385251106 /nfs/dbraw/zinc/25/11/06/385251106.db2.gz JGUZZGDHVYGWAL-MRVPVSSYSA-N -1 3 247.320 0.123 20 0 BCADHM O=C([O-])CCN1CCN2CCCC[C@@H]2C1 ZINC000146439344 385322546 /nfs/dbraw/zinc/32/25/46/385322546.db2.gz MKOZODJPABAPBE-SNVBAGLBSA-N -1 3 212.293 0.631 20 0 BCADHM C[C@@]1(CNC(=O)c2c[n-]nn2)CCCC[C@H]1O ZINC000178268637 385348108 /nfs/dbraw/zinc/34/81/08/385348108.db2.gz VPIAQRHQECBADM-KOLCDFICSA-N -1 3 238.291 0.476 20 0 BCADHM C[C@@]1(CNC(=O)c2cnn[n-]2)CCCC[C@H]1O ZINC000178268637 385348113 /nfs/dbraw/zinc/34/81/13/385348113.db2.gz VPIAQRHQECBADM-KOLCDFICSA-N -1 3 238.291 0.476 20 0 BCADHM C[C@@]1(CNC(=O)c2cn[n-]n2)CCCC[C@H]1O ZINC000178268637 385348117 /nfs/dbraw/zinc/34/81/17/385348117.db2.gz VPIAQRHQECBADM-KOLCDFICSA-N -1 3 238.291 0.476 20 0 BCADHM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1C ZINC000427902696 385349698 /nfs/dbraw/zinc/34/96/98/385349698.db2.gz OQJRZTZNAQZBIW-ZJUUUORDSA-N -1 3 249.314 1.000 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2COCCO2)n1 ZINC000273512448 385361285 /nfs/dbraw/zinc/36/12/85/385361285.db2.gz PJWBHJNQXGSPHH-SECBINFHSA-N -1 3 238.243 0.450 20 0 BCADHM O=C([N-]OCCC(F)(F)F)C1CC(=O)C1 ZINC000154866210 385362549 /nfs/dbraw/zinc/36/25/49/385362549.db2.gz UNBIUCSSLZTWPQ-UHFFFAOYSA-N -1 3 225.166 0.966 20 0 BCADHM CN1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000192628295 385365516 /nfs/dbraw/zinc/36/55/16/385365516.db2.gz PGJLCYGBEYPERP-UHFFFAOYSA-N -1 3 236.271 0.485 20 0 BCADHM O=C(CC1CC1)Nc1nnc(SCCO)[n-]1 ZINC000155369010 385387975 /nfs/dbraw/zinc/38/79/75/385387975.db2.gz ZTRHHADAMHHDOK-UHFFFAOYSA-N -1 3 242.304 0.628 20 0 BCADHM O=C(CC1CC1)Nc1nc(SCCO)n[n-]1 ZINC000155369010 385387981 /nfs/dbraw/zinc/38/79/81/385387981.db2.gz ZTRHHADAMHHDOK-UHFFFAOYSA-N -1 3 242.304 0.628 20 0 BCADHM O=C(CC1CC1)Nc1n[n-]c(SCCO)n1 ZINC000155369010 385387985 /nfs/dbraw/zinc/38/79/85/385387985.db2.gz ZTRHHADAMHHDOK-UHFFFAOYSA-N -1 3 242.304 0.628 20 0 BCADHM Cc1cnccc1CCNC(=O)c1c[n-]nn1 ZINC000131324680 385326952 /nfs/dbraw/zinc/32/69/52/385326952.db2.gz MBYBXXXFXWYPRR-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM Cc1cnccc1CCNC(=O)c1cnn[n-]1 ZINC000131324680 385326957 /nfs/dbraw/zinc/32/69/57/385326957.db2.gz MBYBXXXFXWYPRR-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM Cc1cnccc1CCNC(=O)c1cn[n-]n1 ZINC000131324680 385326963 /nfs/dbraw/zinc/32/69/63/385326963.db2.gz MBYBXXXFXWYPRR-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)CO)c1F ZINC000181330476 385405797 /nfs/dbraw/zinc/40/57/97/385405797.db2.gz XTXTWGNOUGFYOX-QMMMGPOBSA-N -1 3 247.291 0.793 20 0 BCADHM Cc1ccc([C@H](O)CNC(=O)c2c[n-]nn2)cc1 ZINC000194592171 385441516 /nfs/dbraw/zinc/44/15/16/385441516.db2.gz VSIZCHFPVVDICB-LLVKDONJSA-N -1 3 246.270 0.577 20 0 BCADHM Cc1ccc([C@H](O)CNC(=O)c2cnn[n-]2)cc1 ZINC000194592171 385441518 /nfs/dbraw/zinc/44/15/18/385441518.db2.gz VSIZCHFPVVDICB-LLVKDONJSA-N -1 3 246.270 0.577 20 0 BCADHM Cc1ccc([C@H](O)CNC(=O)c2cn[n-]n2)cc1 ZINC000194592171 385441521 /nfs/dbraw/zinc/44/15/21/385441521.db2.gz VSIZCHFPVVDICB-LLVKDONJSA-N -1 3 246.270 0.577 20 0 BCADHM CC(C)CO[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000156444581 385452864 /nfs/dbraw/zinc/45/28/64/385452864.db2.gz GUNRDMACDPDAAB-UHFFFAOYSA-N -1 3 224.260 0.703 20 0 BCADHM CC(C)(O)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000182066175 385455667 /nfs/dbraw/zinc/45/56/67/385455667.db2.gz ROTDSPZAXYDFMR-ONEGZZNKSA-N -1 3 236.271 0.688 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]C1=NCCS1 ZINC000171172653 385471230 /nfs/dbraw/zinc/47/12/30/385471230.db2.gz ZZFZOYAZGJAFPK-NTSWFWBYSA-N -1 3 228.273 0.015 20 0 BCADHM COc1ncccc1[N-]S(=O)(=O)C1CC1 ZINC000171335684 385477859 /nfs/dbraw/zinc/47/78/59/385477859.db2.gz GLUCOPXXNACRGU-UHFFFAOYSA-N -1 3 228.273 0.994 20 0 BCADHM COC[C@@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000171422924 385482349 /nfs/dbraw/zinc/48/23/49/385482349.db2.gz PFNURRIYGRZCJV-LLVKDONJSA-N -1 3 246.270 0.922 20 0 BCADHM COC[C@@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000171422924 385482355 /nfs/dbraw/zinc/48/23/55/385482355.db2.gz PFNURRIYGRZCJV-LLVKDONJSA-N -1 3 246.270 0.922 20 0 BCADHM COC[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000171422924 385482358 /nfs/dbraw/zinc/48/23/58/385482358.db2.gz PFNURRIYGRZCJV-LLVKDONJSA-N -1 3 246.270 0.922 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)CCC1CCC1 ZINC000309284628 385509195 /nfs/dbraw/zinc/50/91/95/385509195.db2.gz KXIJXPWAKJPEMB-UHFFFAOYSA-N -1 3 249.332 0.659 20 0 BCADHM Cc1ccc(NC([O-])=NOCC(N)=O)c(C)c1 ZINC000180586651 385531112 /nfs/dbraw/zinc/53/11/12/385531112.db2.gz HJQKGSVVOOHVDQ-UHFFFAOYSA-N -1 3 237.259 0.842 20 0 BCADHM Cc1ccc(NC(=O)[N-]OCC(N)=O)c(C)c1 ZINC000180586651 385531118 /nfs/dbraw/zinc/53/11/18/385531118.db2.gz HJQKGSVVOOHVDQ-UHFFFAOYSA-N -1 3 237.259 0.842 20 0 BCADHM CCc1ccccc1NC([O-])=NOCC(N)=O ZINC000180609157 385532587 /nfs/dbraw/zinc/53/25/87/385532587.db2.gz VNUBBZOCYDVVDK-UHFFFAOYSA-N -1 3 237.259 0.787 20 0 BCADHM CCc1ccccc1NC(=O)[N-]OCC(N)=O ZINC000180609157 385532590 /nfs/dbraw/zinc/53/25/90/385532590.db2.gz VNUBBZOCYDVVDK-UHFFFAOYSA-N -1 3 237.259 0.787 20 0 BCADHM CCc1cc(=O)[n-]c(CN[C@H](CO)C(C)C)n1 ZINC000180610755 385532932 /nfs/dbraw/zinc/53/29/32/385532932.db2.gz QZJKGXAEFNBCLI-SNVBAGLBSA-N -1 3 239.319 0.851 20 0 BCADHM C[C@@H]1[C@H](NC(=O)c2cncc([O-])c2)CCCN1C ZINC000354621017 385597074 /nfs/dbraw/zinc/59/70/74/385597074.db2.gz NNPQKGMTUAJLOR-BXKDBHETSA-N -1 3 249.314 1.000 20 0 BCADHM Cn1cc(OCC(=O)Nc2ncccc2[O-])cn1 ZINC000337376991 385628901 /nfs/dbraw/zinc/62/89/01/385628901.db2.gz AOJVGCOATMOTDP-UHFFFAOYSA-N -1 3 248.242 0.538 20 0 BCADHM C[C@@H](O)CCCNC(=O)c1c([O-])cccc1O ZINC000229419203 385612204 /nfs/dbraw/zinc/61/22/04/385612204.db2.gz FGHYJALBEBRHRH-MRVPVSSYSA-N -1 3 239.271 0.989 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000647718257 385665309 /nfs/dbraw/zinc/66/53/09/385665309.db2.gz GEXFPJUVGODLTK-IAZYJMLFSA-N -1 3 249.314 0.805 20 0 BCADHM CC1(O)CCN(c2nc3[nH][n-]cc-3c(=N)n2)CC1 ZINC000354572223 385678215 /nfs/dbraw/zinc/67/82/15/385678215.db2.gz FNVWFJUSSMIQAT-UHFFFAOYSA-N -1 3 248.290 0.068 20 0 BCADHM CC[C@H](O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000230024801 385702852 /nfs/dbraw/zinc/70/28/52/385702852.db2.gz IORQUORPNJFGRP-QMMMGPOBSA-N -1 3 248.304 0.341 20 0 BCADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCC(=O)N1 ZINC000270386803 385703255 /nfs/dbraw/zinc/70/32/55/385703255.db2.gz QWLKXKPWJRQVIS-SSDOTTSWSA-N -1 3 238.218 0.748 20 0 BCADHM CC(=O)[C@@H](C)SCCCOC([O-])=NC(N)=O ZINC000270100907 385669777 /nfs/dbraw/zinc/66/97/77/385669777.db2.gz FIUIOWVYFAMYHX-SSDOTTSWSA-N -1 3 248.304 0.892 20 0 BCADHM CC(=O)[C@@H](C)SCCCOC(=O)N=C(N)[O-] ZINC000270100907 385669787 /nfs/dbraw/zinc/66/97/87/385669787.db2.gz FIUIOWVYFAMYHX-SSDOTTSWSA-N -1 3 248.304 0.892 20 0 BCADHM CC(=O)[C@@H](C)SCCCOC(=O)[N-]C(N)=O ZINC000270100907 385669793 /nfs/dbraw/zinc/66/97/93/385669793.db2.gz FIUIOWVYFAMYHX-SSDOTTSWSA-N -1 3 248.304 0.892 20 0 BCADHM Cn1nc(CN[C@@H]2CCCC2(C)C)[n-]c1=O ZINC000309617706 385747571 /nfs/dbraw/zinc/74/75/71/385747571.db2.gz FTDNDDVEKKAGDF-MRVPVSSYSA-N -1 3 224.308 0.777 20 0 BCADHM CC(C)(CC(N)=O)NC(=O)c1cccc([O-])c1 ZINC000230670909 385747939 /nfs/dbraw/zinc/74/79/39/385747939.db2.gz WYTWMTBVSUXZPC-UHFFFAOYSA-N -1 3 236.271 0.776 20 0 BCADHM CC(C)[C@H](C)N(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271046973 385779264 /nfs/dbraw/zinc/77/92/64/385779264.db2.gz RQJWXCKGQJIXOP-YUMQZZPRSA-N -1 3 241.291 0.087 20 0 BCADHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000185194459 385720949 /nfs/dbraw/zinc/72/09/49/385720949.db2.gz LVWFEVHWDVZZPM-MRVPVSSYSA-N -1 3 244.320 0.561 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)CCCO)n1 ZINC000281999594 385721886 /nfs/dbraw/zinc/72/18/86/385721886.db2.gz XIJZDELTOHJIRS-UHFFFAOYSA-N -1 3 225.292 0.559 20 0 BCADHM O=c1nc(CNC2(c3ccccc3)CC2)[nH][n-]1 ZINC000271869445 385856343 /nfs/dbraw/zinc/85/63/43/385856343.db2.gz VVTNDZRAPOMJQU-UHFFFAOYSA-N -1 3 230.271 0.877 20 0 BCADHM C[C@H](CC(N)=O)C(=O)Nc1ccccc1[O-] ZINC000282975603 385799095 /nfs/dbraw/zinc/79/90/95/385799095.db2.gz IWRXHFKGXFFVPN-SSDOTTSWSA-N -1 3 222.244 0.842 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1ccn(C)c1 ZINC000493685585 533147707 /nfs/dbraw/zinc/14/77/07/533147707.db2.gz FEUTUVZCVOJLOD-ONEGZZNKSA-N -1 3 224.260 0.733 20 0 BCADHM COC[C@@H]1CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000294206162 385822377 /nfs/dbraw/zinc/82/23/77/385822377.db2.gz DGJSHJHNRTZDJB-VIFPVBQESA-N -1 3 246.270 0.819 20 0 BCADHM O=C(N[C@H]1CCNC(=O)CC1)c1ccccc1[O-] ZINC000396763469 385835891 /nfs/dbraw/zinc/83/58/91/385835891.db2.gz KQKKMXFNVARZCM-SECBINFHSA-N -1 3 248.282 0.791 20 0 BCADHM OC[C@H]1CCC[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000413615570 385845480 /nfs/dbraw/zinc/84/54/80/385845480.db2.gz RPVOVDOXIVKEBV-DTWKUNHWSA-N -1 3 247.302 0.689 20 0 BCADHM Cn1cc(C(=O)[N-]OC2CCCC2)ccc1=O ZINC000271799738 385851591 /nfs/dbraw/zinc/85/15/91/385851591.db2.gz MAESBEMDVZPPDK-UHFFFAOYSA-N -1 3 236.271 0.989 20 0 BCADHM CCCC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282859023 385793295 /nfs/dbraw/zinc/79/32/95/385793295.db2.gz HGXRIPVIQCTOFQ-QMMMGPOBSA-N -1 3 238.291 0.604 20 0 BCADHM CON(Cc1nc(=O)[n-][nH]1)Cc1ccccc1 ZINC000272481999 385907245 /nfs/dbraw/zinc/90/72/45/385907245.db2.gz BCDCNMFUUNMLSV-UHFFFAOYSA-N -1 3 234.259 0.662 20 0 BCADHM COc1nc(NC(=O)[C@@H]2C[C@@H]2C(F)F)n[n-]1 ZINC000338172124 385908002 /nfs/dbraw/zinc/90/80/02/385908002.db2.gz FVTFIAPOWCJZML-IUYQGCFVSA-N -1 3 232.190 0.653 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2C[C@@H]2C(F)F)[n-]1 ZINC000338172124 385908004 /nfs/dbraw/zinc/90/80/04/385908004.db2.gz FVTFIAPOWCJZML-IUYQGCFVSA-N -1 3 232.190 0.653 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2C(F)F)n1 ZINC000338172124 385908011 /nfs/dbraw/zinc/90/80/11/385908011.db2.gz FVTFIAPOWCJZML-IUYQGCFVSA-N -1 3 232.190 0.653 20 0 BCADHM C[C@@H]1C[C@H]1c1cc(NC(=O)c2nnc[n-]2)n[nH]1 ZINC000272639901 385919727 /nfs/dbraw/zinc/91/97/27/385919727.db2.gz CIBQGSNCRVKFDU-PHDIDXHHSA-N -1 3 232.247 0.904 20 0 BCADHM C[C@@H]1C[C@H]1c1cc(NC(=O)c2nc[n-]n2)n[nH]1 ZINC000272639901 385919732 /nfs/dbraw/zinc/91/97/32/385919732.db2.gz CIBQGSNCRVKFDU-PHDIDXHHSA-N -1 3 232.247 0.904 20 0 BCADHM CC(C)[C@@H](O)C1(CNC(=O)c2c[n-]nn2)CC1 ZINC000271960893 385863966 /nfs/dbraw/zinc/86/39/66/385863966.db2.gz YVMFLARDZBKAGI-SECBINFHSA-N -1 3 238.291 0.332 20 0 BCADHM CC(C)[C@@H](O)C1(CNC(=O)c2cnn[n-]2)CC1 ZINC000271960893 385863970 /nfs/dbraw/zinc/86/39/70/385863970.db2.gz YVMFLARDZBKAGI-SECBINFHSA-N -1 3 238.291 0.332 20 0 BCADHM CC(C)[C@@H](O)C1(CNC(=O)c2cn[n-]n2)CC1 ZINC000271960893 385863972 /nfs/dbraw/zinc/86/39/72/385863972.db2.gz YVMFLARDZBKAGI-SECBINFHSA-N -1 3 238.291 0.332 20 0 BCADHM CC(C)N1CC[C@@H](N(C)C(=O)C(=O)[O-])C1 ZINC000414054583 385934674 /nfs/dbraw/zinc/93/46/74/385934674.db2.gz NLBVFORUCOQZQE-MRVPVSSYSA-N -1 3 214.265 0.012 20 0 BCADHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000342164741 385950985 /nfs/dbraw/zinc/95/09/85/385950985.db2.gz GMMJVPPNJCTLIH-BDAKNGLRSA-N -1 3 244.316 0.783 20 0 BCADHM CO[C@@H]1CC[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000189155141 385957813 /nfs/dbraw/zinc/95/78/13/385957813.db2.gz OPLQZBDXBHCLDX-RNFRBKRXSA-N -1 3 210.237 0.102 20 0 BCADHM CO[C@@H]1CC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000189155141 385957816 /nfs/dbraw/zinc/95/78/16/385957816.db2.gz OPLQZBDXBHCLDX-RNFRBKRXSA-N -1 3 210.237 0.102 20 0 BCADHM CO[C@@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000189155141 385957820 /nfs/dbraw/zinc/95/78/20/385957820.db2.gz OPLQZBDXBHCLDX-RNFRBKRXSA-N -1 3 210.237 0.102 20 0 BCADHM Cc1ncc(CNC(=O)COC(C)C)c(=O)[n-]1 ZINC000345097141 385994169 /nfs/dbraw/zinc/99/41/69/385994169.db2.gz ADGZIJOOTGRBKW-UHFFFAOYSA-N -1 3 239.275 0.532 20 0 BCADHM Cc1cc(C(=O)[N-]c2nc(N(C)C)n[nH]2)no1 ZINC000285877826 385974720 /nfs/dbraw/zinc/97/47/20/385974720.db2.gz BXTLSISVZIGQLU-UHFFFAOYSA-N -1 3 236.235 0.419 20 0 BCADHM COCCCC(=O)NCc1cnc(C)[n-]c1=O ZINC000345113467 385998883 /nfs/dbraw/zinc/99/88/83/385998883.db2.gz SIXPMBXFGVVOBY-UHFFFAOYSA-N -1 3 239.275 0.533 20 0 BCADHM CC/C=C/C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000295295514 386007703 /nfs/dbraw/zinc/00/77/03/386007703.db2.gz GXYNJNGMPWWWKQ-AATRIKPKSA-N -1 3 243.332 0.973 20 0 BCADHM Cn1ncc(Cl)c1S(=O)(=O)[N-]CCF ZINC000335881308 386013933 /nfs/dbraw/zinc/01/39/33/386013933.db2.gz ULLGLXYISDNZSD-UHFFFAOYSA-N -1 3 241.675 0.321 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)n2cncn2)n1 ZINC000273569586 386015447 /nfs/dbraw/zinc/01/54/47/386015447.db2.gz XPIIWSUKCDRJJC-MRVPVSSYSA-N -1 3 247.258 0.887 20 0 BCADHM CC(C)[C@@](C)(O)C(=O)[N-]c1nncn1C1CC1 ZINC000331813409 386016130 /nfs/dbraw/zinc/01/61/30/386016130.db2.gz XXXPRXXSUAUWCI-LLVKDONJSA-N -1 3 238.291 0.959 20 0 BCADHM Cc1cc(C(=O)N(C)C[C@H](O)CO)ccc1[O-] ZINC000273657370 386021192 /nfs/dbraw/zinc/02/11/92/386021192.db2.gz BWQSLLXDNVSEDR-JTQLQIEISA-N -1 3 239.271 0.126 20 0 BCADHM Cc1n[nH]cc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000345123606 386029656 /nfs/dbraw/zinc/02/96/56/386029656.db2.gz KIFFWKQOTOIGSZ-UHFFFAOYSA-N -1 3 247.258 0.452 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)C2CC(O)C2)n1 ZINC000353494071 386040931 /nfs/dbraw/zinc/04/09/31/386040931.db2.gz XSQPAOFCEFKBLX-UHFFFAOYSA-N -1 3 237.303 0.700 20 0 BCADHM Cc1nsc(N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC000274582200 386123732 /nfs/dbraw/zinc/12/37/32/386123732.db2.gz AUUWTAPDLZFTDZ-YFKPBYRVSA-N -1 3 239.308 0.600 20 0 BCADHM Cc1nsc(N(C)C[C@H](C)c2nn[n-]n2)n1 ZINC000274582200 386123737 /nfs/dbraw/zinc/12/37/37/386123737.db2.gz AUUWTAPDLZFTDZ-YFKPBYRVSA-N -1 3 239.308 0.600 20 0 BCADHM COC[C@@H](CO)NC(=O)c1cccc(C)c1[O-] ZINC000234851105 386109187 /nfs/dbraw/zinc/10/91/87/386109187.db2.gz QFFZKEPHJXCSLQ-SECBINFHSA-N -1 3 239.271 0.438 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000274547050 386118029 /nfs/dbraw/zinc/11/80/29/386118029.db2.gz WWRBUDMGDMQACA-LDYMZIIASA-N -1 3 248.282 0.647 20 0 BCADHM O=C(N[C@H]1C[C@@H]1C(F)F)c1c[n-]nn1 ZINC000345834716 386119093 /nfs/dbraw/zinc/11/90/93/386119093.db2.gz YBDAJXACIDHZBA-IMJSIDKUSA-N -1 3 202.164 0.188 20 0 BCADHM O=C(N[C@H]1C[C@@H]1C(F)F)c1cnn[n-]1 ZINC000345834716 386119098 /nfs/dbraw/zinc/11/90/98/386119098.db2.gz YBDAJXACIDHZBA-IMJSIDKUSA-N -1 3 202.164 0.188 20 0 BCADHM O=C(N[C@H]1C[C@@H]1C(F)F)c1cn[n-]n1 ZINC000345834716 386119102 /nfs/dbraw/zinc/11/91/02/386119102.db2.gz YBDAJXACIDHZBA-IMJSIDKUSA-N -1 3 202.164 0.188 20 0 BCADHM O=C(N[C@H]1C[C@H]1C(F)F)c1c[n-]nn1 ZINC000345834701 386119231 /nfs/dbraw/zinc/11/92/31/386119231.db2.gz YBDAJXACIDHZBA-DMTCNVIQSA-N -1 3 202.164 0.188 20 0 BCADHM O=C(N[C@H]1C[C@H]1C(F)F)c1cnn[n-]1 ZINC000345834701 386119237 /nfs/dbraw/zinc/11/92/37/386119237.db2.gz YBDAJXACIDHZBA-DMTCNVIQSA-N -1 3 202.164 0.188 20 0 BCADHM O=C(N[C@H]1C[C@H]1C(F)F)c1cn[n-]n1 ZINC000345834701 386119243 /nfs/dbraw/zinc/11/92/43/386119243.db2.gz YBDAJXACIDHZBA-DMTCNVIQSA-N -1 3 202.164 0.188 20 0 BCADHM CCO[N-]C(=O)c1cnn(C)c1Br ZINC000274115291 386072868 /nfs/dbraw/zinc/07/28/68/386072868.db2.gz ACAFHLCXKHUQEB-UHFFFAOYSA-N -1 3 248.080 0.864 20 0 BCADHM C[C@@H](CN(C)C)[N-]S(=O)(=O)c1cccs1 ZINC000286817877 386075429 /nfs/dbraw/zinc/07/54/29/386075429.db2.gz UXPZUYGZMJUJKF-QMMMGPOBSA-N -1 3 248.373 0.977 20 0 BCADHM Cn1nc(CN2CC[C@H](C3CC3)C2)[n-]c1=O ZINC000335136321 386089704 /nfs/dbraw/zinc/08/97/04/386089704.db2.gz URDHSNSOBXEPSB-VIFPVBQESA-N -1 3 222.292 0.340 20 0 BCADHM CN(CCN1CCCC1)C(=O)c1cncc([O-])c1 ZINC000111740167 386097327 /nfs/dbraw/zinc/09/73/27/386097327.db2.gz HJSVQVSIWPQRCG-UHFFFAOYSA-N -1 3 249.314 0.955 20 0 BCADHM C[C@@H]1OCCC[C@H]1C(=O)Nc1ccncc1[O-] ZINC000408331512 386098040 /nfs/dbraw/zinc/09/80/40/386098040.db2.gz NVCQQEUXLZMMPZ-DTWKUNHWSA-N -1 3 236.271 0.963 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)c1 ZINC000334473937 386145416 /nfs/dbraw/zinc/14/54/16/386145416.db2.gz LXTXHKBTRGNDQI-HTQZYQBOSA-N -1 3 247.295 0.589 20 0 BCADHM C[C@@](O)(C(=O)[N-]c1nncn1C1CC1)C1CC1 ZINC000287825408 386150807 /nfs/dbraw/zinc/15/08/07/386150807.db2.gz QPXFMPWUUBWXFG-NSHDSACASA-N -1 3 236.275 0.713 20 0 BCADHM Cc1noc(C)c1[N-]C(=O)c1nccnc1N ZINC000340263155 386151732 /nfs/dbraw/zinc/15/17/32/386151732.db2.gz YNHMKLJNJDATJW-UHFFFAOYSA-N -1 3 233.231 0.916 20 0 BCADHM O=C(CCn1ccnn1)NCc1ncccc1[O-] ZINC000338912287 386176271 /nfs/dbraw/zinc/17/62/71/386176271.db2.gz CAKAGQKFSBLETD-UHFFFAOYSA-N -1 3 247.258 0.085 20 0 BCADHM O=C(CCn1ccnc1)[N-]O[C@@H]1CCCCO1 ZINC000263831723 386179313 /nfs/dbraw/zinc/17/93/13/386179313.db2.gz UOPFVCHBAYSMQS-LLVKDONJSA-N -1 3 239.275 0.848 20 0 BCADHM O=C(CCn1ccnc1)[N-]O[C@H]1CCCCO1 ZINC000263831725 386180411 /nfs/dbraw/zinc/18/04/11/386180411.db2.gz UOPFVCHBAYSMQS-NSHDSACASA-N -1 3 239.275 0.848 20 0 BCADHM CCO[C@@H]1C[C@H]1C(=O)Nc1nnc(SC)[n-]1 ZINC000263890816 386189297 /nfs/dbraw/zinc/18/92/97/386189297.db2.gz ZPZUFDWTQJYSEO-PHDIDXHHSA-N -1 3 242.304 0.890 20 0 BCADHM CCO[C@@H]1C[C@H]1C(=O)Nc1nc(SC)n[n-]1 ZINC000263890816 386189298 /nfs/dbraw/zinc/18/92/98/386189298.db2.gz ZPZUFDWTQJYSEO-PHDIDXHHSA-N -1 3 242.304 0.890 20 0 BCADHM CCO[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(SC)n1 ZINC000263890816 386189302 /nfs/dbraw/zinc/18/93/02/386189302.db2.gz ZPZUFDWTQJYSEO-PHDIDXHHSA-N -1 3 242.304 0.890 20 0 BCADHM CO[C@@H](CN=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000338795283 386137069 /nfs/dbraw/zinc/13/70/69/386137069.db2.gz SLZMGHNWIOLNRQ-VIFPVBQESA-N -1 3 233.275 0.563 20 0 BCADHM Cn1nccc1S(=O)(=O)[N-]CC(F)(F)F ZINC000288531955 386212439 /nfs/dbraw/zinc/21/24/39/386212439.db2.gz HGEPCZYSSIKHJE-UHFFFAOYSA-N -1 3 243.210 0.261 20 0 BCADHM C[C@@H](F)CC[N-]S(=O)(=O)c1cnn(C)c1 ZINC000339035320 386216637 /nfs/dbraw/zinc/21/66/37/386216637.db2.gz VXXJBYAQCIPSFD-SSDOTTSWSA-N -1 3 235.284 0.447 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CC[C@H](C)F)c1 ZINC000339036518 386217436 /nfs/dbraw/zinc/21/74/36/386217436.db2.gz UTKOYOPLYHSBTL-QMMMGPOBSA-N -1 3 249.311 0.929 20 0 BCADHM CC(C)(CO)O[N-]C(=O)Cc1cccc(O)c1 ZINC000297206521 386233008 /nfs/dbraw/zinc/23/30/08/386233008.db2.gz MVTUXORQNHOJIQ-UHFFFAOYSA-N -1 3 239.271 0.753 20 0 BCADHM C[C@@H](CO)N(Cc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC000347193615 386258514 /nfs/dbraw/zinc/25/85/14/386258514.db2.gz JHZVBNMMCLUBHB-QMMMGPOBSA-N -1 3 240.307 0.636 20 0 BCADHM CS(=O)(=O)[N-][C@H]1COc2ccccc2[C@H]1O ZINC000288415773 386196859 /nfs/dbraw/zinc/19/68/59/386196859.db2.gz NZPHZWRDLRSHAB-WCBMZHEXSA-N -1 3 243.284 0.030 20 0 BCADHM CC=C(CC)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297830393 386281038 /nfs/dbraw/zinc/28/10/38/386281038.db2.gz QOFPVNWTZAAZOV-HWKANZROSA-N -1 3 223.236 0.198 20 0 BCADHM C/C=C(\CC)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297830393 386281046 /nfs/dbraw/zinc/28/10/46/386281046.db2.gz QOFPVNWTZAAZOV-HWKANZROSA-N -1 3 223.236 0.198 20 0 BCADHM CC=C(CC)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297830393 386281051 /nfs/dbraw/zinc/28/10/51/386281051.db2.gz QOFPVNWTZAAZOV-HWKANZROSA-N -1 3 223.236 0.198 20 0 BCADHM CO[C@@H](C)[C@H](C)Nc1nc2nncc-2c(O)[n-]1 ZINC000276263162 386293349 /nfs/dbraw/zinc/29/33/49/386293349.db2.gz GCDVMOGDIHANMB-WDSKDSINSA-N -1 3 237.263 0.894 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CCCOC)c1 ZINC000080709763 386262593 /nfs/dbraw/zinc/26/25/93/386262593.db2.gz FCPRDTIRQVIWGR-UHFFFAOYSA-N -1 3 247.320 0.218 20 0 BCADHM CCO[N-]C(=O)c1c(OC)ncnc1OC ZINC000264712847 386263481 /nfs/dbraw/zinc/26/34/81/386263481.db2.gz GPQJVYBQAUUUOZ-UHFFFAOYSA-N -1 3 227.220 0.175 20 0 BCADHM CC(C)[C@H](C)CC(=O)Nc1[n-]nnc1C(N)=O ZINC000297599257 386265642 /nfs/dbraw/zinc/26/56/42/386265642.db2.gz ALKJNWLQKMDIAY-ZCFIWIBFSA-N -1 3 239.279 0.524 20 0 BCADHM CC(C)[C@H](C)CC(=O)Nc1nn[n-]c1C(N)=O ZINC000297599257 386265646 /nfs/dbraw/zinc/26/56/46/386265646.db2.gz ALKJNWLQKMDIAY-ZCFIWIBFSA-N -1 3 239.279 0.524 20 0 BCADHM CC(C)[C@H](C)CC(=O)Nc1n[n-]nc1C(N)=O ZINC000297599257 386265652 /nfs/dbraw/zinc/26/56/52/386265652.db2.gz ALKJNWLQKMDIAY-ZCFIWIBFSA-N -1 3 239.279 0.524 20 0 BCADHM CC[C@@H](C)C(=O)Nc1[n-]nnc1C(=O)NC ZINC000297714049 386275921 /nfs/dbraw/zinc/27/59/21/386275921.db2.gz LCFIUAPTJFWMPR-RXMQYKEDSA-N -1 3 225.252 0.149 20 0 BCADHM CC[C@@H](C)C(=O)Nc1nn[n-]c1C(=O)NC ZINC000297714049 386275929 /nfs/dbraw/zinc/27/59/29/386275929.db2.gz LCFIUAPTJFWMPR-RXMQYKEDSA-N -1 3 225.252 0.149 20 0 BCADHM CC[C@@H](C)C(=O)Nc1n[n-]nc1C(=O)NC ZINC000297714049 386275935 /nfs/dbraw/zinc/27/59/35/386275935.db2.gz LCFIUAPTJFWMPR-RXMQYKEDSA-N -1 3 225.252 0.149 20 0 BCADHM COc1cc(C(=O)N[C@H]2CCOC2)ccc1[O-] ZINC000347239696 386276591 /nfs/dbraw/zinc/27/65/91/386276591.db2.gz SPWGMDKPPKFKRL-VIFPVBQESA-N -1 3 237.255 0.920 20 0 BCADHM CCCC(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297781096 386277698 /nfs/dbraw/zinc/27/76/98/386277698.db2.gz QOPUUDXWVNLMTP-UHFFFAOYSA-N -1 3 237.263 0.436 20 0 BCADHM CCCC(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297781096 386277704 /nfs/dbraw/zinc/27/77/04/386277704.db2.gz QOPUUDXWVNLMTP-UHFFFAOYSA-N -1 3 237.263 0.436 20 0 BCADHM CCCC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297781096 386277709 /nfs/dbraw/zinc/27/77/09/386277709.db2.gz QOPUUDXWVNLMTP-UHFFFAOYSA-N -1 3 237.263 0.436 20 0 BCADHM O=C([N-][C@@H]1CCC(=O)NC1)C(F)(F)C(F)F ZINC000226624580 386348581 /nfs/dbraw/zinc/34/85/81/386348581.db2.gz SCQJHRHJOCURFY-SCSAIBSYSA-N -1 3 242.172 0.282 20 0 BCADHM CC(C)[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000347391777 386380439 /nfs/dbraw/zinc/38/04/39/386380439.db2.gz JQSWQBGLHOYMJC-QMMMGPOBSA-N -1 3 212.297 0.585 20 0 BCADHM CCN(Cc1nc(=O)n(C)[n-]1)CC(C)C ZINC000347394690 386382277 /nfs/dbraw/zinc/38/22/77/386382277.db2.gz QJJLWJVEJJYQME-UHFFFAOYSA-N -1 3 212.297 0.586 20 0 BCADHM CCCCS(=O)(=O)[N-][C@@H]1COC[C@@H]1OC ZINC000416574728 386332183 /nfs/dbraw/zinc/33/21/83/386332183.db2.gz ZFXFNYDOGVBPKP-BDAKNGLRSA-N -1 3 237.321 0.120 20 0 BCADHM Cc1ccc([O-])c(NC(=O)CCn2ccnn2)n1 ZINC000276520408 386339180 /nfs/dbraw/zinc/33/91/80/386339180.db2.gz ZNOCYJILSLFKLA-UHFFFAOYSA-N -1 3 247.258 0.716 20 0 BCADHM Cn1nc(NC(=O)c2cnn[n-]2)cc1C1CC1 ZINC000290454187 386437407 /nfs/dbraw/zinc/43/74/07/386437407.db2.gz DSZYUYBFKZTXPC-UHFFFAOYSA-N -1 3 232.247 0.668 20 0 BCADHM Cn1nc(NC(=O)c2c[n-]nn2)cc1C1CC1 ZINC000290454187 386437413 /nfs/dbraw/zinc/43/74/13/386437413.db2.gz DSZYUYBFKZTXPC-UHFFFAOYSA-N -1 3 232.247 0.668 20 0 BCADHM Cn1nc(NC(=O)c2cn[n-]n2)cc1C1CC1 ZINC000290454187 386437418 /nfs/dbraw/zinc/43/74/18/386437418.db2.gz DSZYUYBFKZTXPC-UHFFFAOYSA-N -1 3 232.247 0.668 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2CCC(=O)NC2)ccc1[O-] ZINC000226987215 386445029 /nfs/dbraw/zinc/44/50/29/386445029.db2.gz HCPXOTGGXJBVEZ-SNVBAGLBSA-N -1 3 248.282 0.709 20 0 BCADHM Cc1cc(C(=O)NCC(=O)N(C)C)ccc1[O-] ZINC000227014451 386448392 /nfs/dbraw/zinc/44/83/92/386448392.db2.gz RFSGBPIDWATITK-UHFFFAOYSA-N -1 3 236.271 0.519 20 0 BCADHM Cc1cc(C(=O)N2CCN(C)C(=O)C2)ccc1[O-] ZINC000227033255 386449975 /nfs/dbraw/zinc/44/99/75/386449975.db2.gz NLBOJSKGYRDFAM-UHFFFAOYSA-N -1 3 248.282 0.615 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2CCN(C)C2=O)ccc1[O-] ZINC000227032519 386450839 /nfs/dbraw/zinc/45/08/39/386450839.db2.gz PRGKFYCWPJCXCQ-SNVBAGLBSA-N -1 3 248.282 0.661 20 0 BCADHM CN(CCCO)C(=O)c1ccc2n[n-]nc2c1 ZINC000281746989 386389337 /nfs/dbraw/zinc/38/93/37/386389337.db2.gz IZHGXSHIZNQDPW-UHFFFAOYSA-N -1 3 234.259 0.412 20 0 BCADHM CSC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000347438280 386404231 /nfs/dbraw/zinc/40/42/31/386404231.db2.gz MAWUOYKSSZCLOE-QMMMGPOBSA-N -1 3 242.348 0.436 20 0 BCADHM COC1(c2nc(-c3cc(=O)[n-]cn3)no2)CC1 ZINC000351371656 386409112 /nfs/dbraw/zinc/40/91/12/386409112.db2.gz OAYSYCKZKIDFNG-UHFFFAOYSA-N -1 3 234.215 0.868 20 0 BCADHM CC[C@@H](C)CN(CC)Cc1nc(=O)n(C)[n-]1 ZINC000347449680 386410000 /nfs/dbraw/zinc/41/00/00/386410000.db2.gz XNIJACQYOVYWDU-SECBINFHSA-N -1 3 226.324 0.976 20 0 BCADHM C[C@@H](N(C)Cc1nc(=O)n(C)[n-]1)C1(C)CC1 ZINC000347456110 386412254 /nfs/dbraw/zinc/41/22/54/386412254.db2.gz CMDBPVYOXRNXTQ-MRVPVSSYSA-N -1 3 224.308 0.729 20 0 BCADHM CC(C)(NC(=O)c1c[n-]nn1)c1nccs1 ZINC000227207035 386467776 /nfs/dbraw/zinc/46/77/76/386467776.db2.gz UQUBJXKULIKGLB-UHFFFAOYSA-N -1 3 237.288 0.926 20 0 BCADHM CC(C)(NC(=O)c1cnn[n-]1)c1nccs1 ZINC000227207035 386467782 /nfs/dbraw/zinc/46/77/82/386467782.db2.gz UQUBJXKULIKGLB-UHFFFAOYSA-N -1 3 237.288 0.926 20 0 BCADHM CC(C)(NC(=O)c1cn[n-]n1)c1nccs1 ZINC000227207035 386467787 /nfs/dbraw/zinc/46/77/87/386467787.db2.gz UQUBJXKULIKGLB-UHFFFAOYSA-N -1 3 237.288 0.926 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@@H](O)C1 ZINC000061704216 386529443 /nfs/dbraw/zinc/52/94/43/386529443.db2.gz YCOUUQBNLDVWDY-MRVPVSSYSA-N -1 3 207.229 0.599 20 0 BCADHM COC[C@@H](CNC(=O)c1ccccc1[O-])OC ZINC000227697898 386502375 /nfs/dbraw/zinc/50/23/75/386502375.db2.gz GDHOPWUVCUFVNI-SECBINFHSA-N -1 3 239.271 0.783 20 0 BCADHM C[C@@H](C[N-]S(=O)(=O)c1ccn(C)n1)C1CC1 ZINC000645489490 386526290 /nfs/dbraw/zinc/52/62/90/386526290.db2.gz IAHSUNLDAOLFJH-QMMMGPOBSA-N -1 3 243.332 0.745 20 0 BCADHM O=S(=O)([N-]CC1CC1)c1cscn1 ZINC000335453435 386527931 /nfs/dbraw/zinc/52/79/31/386527931.db2.gz VBIIAUPFASRDND-UHFFFAOYSA-N -1 3 218.303 0.831 20 0 BCADHM Cn1cnnc1NC(=O)c1c([O-])cccc1O ZINC000157126772 386458103 /nfs/dbraw/zinc/45/81/03/386458103.db2.gz HCYXSUXJFSGWGF-UHFFFAOYSA-N -1 3 234.215 0.479 20 0 BCADHM CC(=O)[N-]OCc1cc(=O)n2ccc(C)cc2n1 ZINC000267761456 386580660 /nfs/dbraw/zinc/58/06/60/386580660.db2.gz JGWAVAWOZYVXPG-UHFFFAOYSA-N -1 3 247.254 0.571 20 0 BCADHM CC[S@@](=O)CC(=O)Nc1nc(C)ccc1[O-] ZINC000278774270 386581542 /nfs/dbraw/zinc/58/15/42/386581542.db2.gz NTVULSWZUSKUTQ-MRXNPFEDSA-N -1 3 242.300 0.803 20 0 BCADHM O=S(=O)([N-][C@@H]1CCC[C@@H](F)C1)c1c[nH]cn1 ZINC000335417013 386585431 /nfs/dbraw/zinc/58/54/31/386585431.db2.gz ILXJXXWHPGZVAH-HTQZYQBOSA-N -1 3 247.295 0.969 20 0 BCADHM O=C(C[N-]C(=O)C(F)F)OCC1CC1 ZINC000278587609 386552214 /nfs/dbraw/zinc/55/22/14/386552214.db2.gz HVNDAOMUEDAUSL-UHFFFAOYSA-N -1 3 207.176 0.321 20 0 BCADHM C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ncccc1[O-] ZINC000519793679 386556579 /nfs/dbraw/zinc/55/65/79/386556579.db2.gz RJAGLKBVDSTKGC-BDAKNGLRSA-N -1 3 208.261 0.742 20 0 BCADHM C[C@@H]1C[C@H](O)CN1Cc1ncccc1[O-] ZINC000519793679 386556595 /nfs/dbraw/zinc/55/65/95/386556595.db2.gz RJAGLKBVDSTKGC-BDAKNGLRSA-N -1 3 208.261 0.742 20 0 BCADHM C[C@H]1C[C@H](C(=O)Nc2ccncc2[O-])CO1 ZINC000408423181 386571108 /nfs/dbraw/zinc/57/11/08/386571108.db2.gz WVBHQWVFMXBUBN-YUMQZZPRSA-N -1 3 222.244 0.573 20 0 BCADHM C[C@@H](O)C[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000525872984 386621348 /nfs/dbraw/zinc/62/13/48/386621348.db2.gz MJIGNDDTYVSTHU-HTQZYQBOSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@@H](O)C[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000525872984 386621352 /nfs/dbraw/zinc/62/13/52/386621352.db2.gz MJIGNDDTYVSTHU-HTQZYQBOSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@@H](O)C[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000525872984 386621359 /nfs/dbraw/zinc/62/13/59/386621359.db2.gz MJIGNDDTYVSTHU-HTQZYQBOSA-N -1 3 248.286 0.847 20 0 BCADHM CCc1cc(=O)[n-]c(CN(CC)CCCO)n1 ZINC000268196214 386628484 /nfs/dbraw/zinc/62/84/84/386628484.db2.gz GWQHHFYHPBMVOI-UHFFFAOYSA-N -1 3 239.319 0.949 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CCC[C@H](O)C2)n1 ZINC000268244444 386632035 /nfs/dbraw/zinc/63/20/35/386632035.db2.gz SCPZAYCIZXIZLG-JTQLQIEISA-N -1 3 237.303 0.701 20 0 BCADHM C[C@@H](CC(N)=O)C(=O)[N-]OC/C=C/Cl ZINC000292213419 386633320 /nfs/dbraw/zinc/63/33/20/386633320.db2.gz QAJAHKQVZBLXOB-SZKDQXIBSA-N -1 3 220.656 0.298 20 0 BCADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCCO1 ZINC000279114045 386634852 /nfs/dbraw/zinc/63/48/52/386634852.db2.gz CHKZELYFRARTKI-UHFFFAOYSA-N -1 3 236.206 0.875 20 0 BCADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCCO1 ZINC000279114045 386634856 /nfs/dbraw/zinc/63/48/56/386634856.db2.gz CHKZELYFRARTKI-UHFFFAOYSA-N -1 3 236.206 0.875 20 0 BCADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCO1 ZINC000279114045 386634862 /nfs/dbraw/zinc/63/48/62/386634862.db2.gz CHKZELYFRARTKI-UHFFFAOYSA-N -1 3 236.206 0.875 20 0 BCADHM CCc1cc(C(=O)N2CC(O)C2)ccc1[O-] ZINC000292274122 386644358 /nfs/dbraw/zinc/64/43/58/386644358.db2.gz UKSXJGCDIFTKON-UHFFFAOYSA-N -1 3 221.256 0.771 20 0 BCADHM Cc1cc(C(=O)NC(C)(CO)CO)ccc1[O-] ZINC000229017133 386664026 /nfs/dbraw/zinc/66/40/26/386664026.db2.gz ZNTYPMIVNDGEDH-UHFFFAOYSA-N -1 3 239.271 0.174 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3ccncc3)C[C@H]12 ZINC000329459822 386675303 /nfs/dbraw/zinc/67/53/03/386675303.db2.gz RVBHUFJJWIMYTE-SNVBAGLBSA-N -1 3 246.270 0.658 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC(=O)N(C2CC2)C1 ZINC000279622900 386709507 /nfs/dbraw/zinc/70/95/07/386709507.db2.gz HXBCDTKDQBFHRP-UHFFFAOYSA-N -1 3 246.266 0.797 20 0 BCADHM CSc1nnc(NC(=O)CC(C)(C)O)[n-]1 ZINC000279625988 386710760 /nfs/dbraw/zinc/71/07/60/386710760.db2.gz VBWRKDBHYQOBDQ-UHFFFAOYSA-N -1 3 230.293 0.626 20 0 BCADHM CSc1n[n-]c(NC(=O)CC(C)(C)O)n1 ZINC000279625988 386710764 /nfs/dbraw/zinc/71/07/64/386710764.db2.gz VBWRKDBHYQOBDQ-UHFFFAOYSA-N -1 3 230.293 0.626 20 0 BCADHM CSc1nc(NC(=O)CC(C)(C)O)n[n-]1 ZINC000279625988 386710768 /nfs/dbraw/zinc/71/07/68/386710768.db2.gz VBWRKDBHYQOBDQ-UHFFFAOYSA-N -1 3 230.293 0.626 20 0 BCADHM C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccccn1 ZINC000121431658 386710767 /nfs/dbraw/zinc/71/07/67/386710767.db2.gz XFCZCRISEYIRGZ-RKDXNWHRSA-N -1 3 242.300 0.537 20 0 BCADHM CCC[C@H](CC)NC(=O)C[C@H]1NC(=O)[N-]C1=O ZINC000343337935 386686842 /nfs/dbraw/zinc/68/68/42/386686842.db2.gz IPXLZKLHGWTDHF-JGVFFNPUSA-N -1 3 241.291 0.279 20 0 BCADHM CN(CC1CC1)c1nc2nncc-2c(O)[n-]1 ZINC000302277384 386705927 /nfs/dbraw/zinc/70/59/27/386705927.db2.gz ICVFRRKGDHGOMJ-UHFFFAOYSA-N -1 3 219.248 0.905 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1CC(F)C1 ZINC000306703389 386737643 /nfs/dbraw/zinc/73/76/43/386737643.db2.gz BRRRBVPONXMLEB-UHFFFAOYSA-N -1 3 202.210 0.230 20 0 BCADHM CO[C@@H](C(=O)[N-]c1nncn1C)C1CC1 ZINC000279893942 386752032 /nfs/dbraw/zinc/75/20/32/386752032.db2.gz DFCMPQKAPLDTBB-SSDOTTSWSA-N -1 3 210.237 0.179 20 0 BCADHM CSCCO[N-]C(=O)CCc1nc(C)no1 ZINC000279913340 386754202 /nfs/dbraw/zinc/75/42/02/386754202.db2.gz GWTULRGTFKIYOI-UHFFFAOYSA-N -1 3 245.304 0.721 20 0 BCADHM CSCCO[N-]C(=O)CCc1ccnn1C ZINC000279989292 386767569 /nfs/dbraw/zinc/76/75/69/386767569.db2.gz LPWLTOGEOYLHLI-UHFFFAOYSA-N -1 3 243.332 0.764 20 0 BCADHM CC[C@H]1CCN1C(=O)C(=O)[N-]c1cnns1 ZINC000293254578 386792535 /nfs/dbraw/zinc/79/25/35/386792535.db2.gz FMLZVCRXZTXABR-LURJTMIESA-N -1 3 240.288 0.488 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C(=O)NCC2CC2)n1 ZINC000280239818 386795241 /nfs/dbraw/zinc/79/52/41/386795241.db2.gz YLQZDGYPMBBGAM-UHFFFAOYSA-N -1 3 249.270 0.560 20 0 BCADHM O=C1[N-]C(=O)N2CCN(CCCCCF)C[C@H]12 ZINC000330531538 386777862 /nfs/dbraw/zinc/77/78/62/386777862.db2.gz MRPCPOJSYAOBDF-SECBINFHSA-N -1 3 243.282 0.362 20 0 BCADHM O=C(CC[C@H]1CCOC1)Nc1ccncc1[O-] ZINC000329697379 386784443 /nfs/dbraw/zinc/78/44/43/386784443.db2.gz FFJFPVDLTNOKAD-VIFPVBQESA-N -1 3 236.271 0.964 20 0 BCADHM CSCCO[N-]C(=O)CCc1cnccn1 ZINC000280168207 386787182 /nfs/dbraw/zinc/78/71/82/386787182.db2.gz YXVKBQZHKZBQHI-UHFFFAOYSA-N -1 3 241.316 0.820 20 0 BCADHM CC[C@H](CO)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330662478 386817486 /nfs/dbraw/zinc/81/74/86/386817486.db2.gz PJFXLUQRSOJOGK-MRVPVSSYSA-N -1 3 233.289 0.637 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CN(C)C)o1 ZINC000344911209 386801849 /nfs/dbraw/zinc/80/18/49/386801849.db2.gz NHOGNZUJPYCVNX-QMMMGPOBSA-N -1 3 246.332 0.816 20 0 BCADHM COc1nnc(NC(=O)c2cc(C)cc(=O)[nH]2)[n-]1 ZINC000344860447 386805213 /nfs/dbraw/zinc/80/52/13/386805213.db2.gz RULDUVNKYQFQDH-UHFFFAOYSA-N -1 3 249.230 0.475 20 0 BCADHM COc1nc(NC(=O)c2cc(C)cc(=O)[nH]2)n[n-]1 ZINC000344860447 386805219 /nfs/dbraw/zinc/80/52/19/386805219.db2.gz RULDUVNKYQFQDH-UHFFFAOYSA-N -1 3 249.230 0.475 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(C)cc(=O)[nH]2)n1 ZINC000344860447 386805223 /nfs/dbraw/zinc/80/52/23/386805223.db2.gz RULDUVNKYQFQDH-UHFFFAOYSA-N -1 3 249.230 0.475 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1CCC[C@@H]1CCO ZINC000329950895 386815972 /nfs/dbraw/zinc/81/59/72/386815972.db2.gz CKIOQVFETZRSBU-SSDOTTSWSA-N -1 3 242.300 0.836 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]OCC1CC1 ZINC000293803714 386882315 /nfs/dbraw/zinc/88/23/15/386882315.db2.gz PUUAEXGRRXFREE-ONEGZZNKSA-N -1 3 207.233 0.881 20 0 BCADHM CN1C(=O)CC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000330779050 386884920 /nfs/dbraw/zinc/88/49/20/386884920.db2.gz VUXBEVXLDCLTEC-SECBINFHSA-N -1 3 249.270 0.024 20 0 BCADHM CCN(C[C@H](C)O)C(=O)c1csc(=O)[n-]1 ZINC000341346899 386886748 /nfs/dbraw/zinc/88/67/48/386886748.db2.gz RXMLMFIUPOFZSO-LURJTMIESA-N -1 3 230.289 0.692 20 0 BCADHM CS(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000335764378 386904077 /nfs/dbraw/zinc/90/40/77/386904077.db2.gz ODCZQSUWSOFIIY-UHFFFAOYSA-N -1 3 225.220 0.520 20 0 BCADHM CC[C@H]1CCN1C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000331937629 386928716 /nfs/dbraw/zinc/92/87/16/386928716.db2.gz FZHGLESKJFSJCX-ZETCQYMHSA-N -1 3 237.259 0.110 20 0 BCADHM C[C@@]1(C(=O)NCc2ncccc2[O-])CCCO1 ZINC000331019522 386936073 /nfs/dbraw/zinc/93/60/73/386936073.db2.gz NOYGAXAJZKLHBE-LBPRGKRZSA-N -1 3 236.271 0.973 20 0 BCADHM CO[C@@](C)(C[N-]S(=O)(=O)C1COC1)C1CC1 ZINC000329659310 386937282 /nfs/dbraw/zinc/93/72/82/386937282.db2.gz NSPAZSJYJMKNQB-JTQLQIEISA-N -1 3 249.332 0.120 20 0 BCADHM COC(C)(C)C(=O)NCc1ncccc1[O-] ZINC000331002823 386942292 /nfs/dbraw/zinc/94/22/92/386942292.db2.gz GFWYSRAUSAAEET-UHFFFAOYSA-N -1 3 224.260 0.828 20 0 BCADHM C[C@@H]1OCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000331011166 386944651 /nfs/dbraw/zinc/94/46/51/386944651.db2.gz JGQTYPVDIHXKBN-IUCAKERBSA-N -1 3 236.271 0.828 20 0 BCADHM CC(C)(C)CC[C@H](CO)NC(=O)c1c[n-]nn1 ZINC000358414601 386952977 /nfs/dbraw/zinc/95/29/77/386952977.db2.gz PSZBOINMZBCTBO-MRVPVSSYSA-N -1 3 240.307 0.722 20 0 BCADHM CC(C)(C)CC[C@H](CO)NC(=O)c1cnn[n-]1 ZINC000358414601 386952979 /nfs/dbraw/zinc/95/29/79/386952979.db2.gz PSZBOINMZBCTBO-MRVPVSSYSA-N -1 3 240.307 0.722 20 0 BCADHM CC(C)(C)CC[C@H](CO)NC(=O)c1cn[n-]n1 ZINC000358414601 386952982 /nfs/dbraw/zinc/95/29/82/386952982.db2.gz PSZBOINMZBCTBO-MRVPVSSYSA-N -1 3 240.307 0.722 20 0 BCADHM CCC=CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000395182441 386971604 /nfs/dbraw/zinc/97/16/04/386971604.db2.gz SWQVLGMKRJRBQX-ARJAWSKDSA-N -1 3 215.278 0.654 20 0 BCADHM CNC(=O)Cc1nc(=O)c2cc(C)sc2[n-]1 ZINC000518993530 386978250 /nfs/dbraw/zinc/97/82/50/386978250.db2.gz IDCRICFXWBPPKU-UHFFFAOYSA-N -1 3 237.284 0.994 20 0 BCADHM O=c1[n-]nc(CN2CCCOCC2)s1 ZINC000368499716 386980436 /nfs/dbraw/zinc/98/04/36/386980436.db2.gz RYOOJBVFHZMUDL-UHFFFAOYSA-N -1 3 215.278 0.466 20 0 BCADHM CC1(C(=O)NCc2ncccc2[O-])COC1 ZINC000332462933 386980846 /nfs/dbraw/zinc/98/08/46/386980846.db2.gz KQQWCKKFDSVCFA-UHFFFAOYSA-N -1 3 222.244 0.440 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]Cc1ccno1 ZINC000331270837 386991795 /nfs/dbraw/zinc/99/17/95/386991795.db2.gz KZFGFEMUAYYLAY-ZETCQYMHSA-N -1 3 234.277 0.129 20 0 BCADHM COC(=O)[C@@H](C)N(C)C(=O)c1csc(=O)[n-]1 ZINC000331220772 386992075 /nfs/dbraw/zinc/99/20/75/386992075.db2.gz JMZVAVCFQIIHDS-RXMQYKEDSA-N -1 3 244.272 0.482 20 0 BCADHM CO[C@@H](C)C[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000331286051 386997226 /nfs/dbraw/zinc/99/72/26/386997226.db2.gz TZHVPQCZKOXVSS-QMMMGPOBSA-N -1 3 248.304 0.437 20 0 BCADHM CC(C)C[C@H](CNC(=O)[C@H](N)C(C)C)C(=O)[O-] ZINC000094704047 386951620 /nfs/dbraw/zinc/95/16/20/386951620.db2.gz NCCNVPVHUVLYCD-NXEZZACHSA-N -1 3 244.335 0.833 20 0 BCADHM CCC1(NCc2nc(=O)n(C)[n-]2)CCCC1 ZINC000333438289 387036072 /nfs/dbraw/zinc/03/60/72/387036072.db2.gz PBEMTZNKRMKUPU-UHFFFAOYSA-N -1 3 224.308 0.921 20 0 BCADHM O=S(=O)([N-][C@@H]1CNCCC1(F)F)C1CC1 ZINC000334968037 387050685 /nfs/dbraw/zinc/05/06/85/387050685.db2.gz NNUHONAZNDHEJK-SSDOTTSWSA-N -1 3 240.275 0.065 20 0 BCADHM CCCC[C@H]([N-]S(=O)(=O)CC)C(=O)OC ZINC000186125873 387071216 /nfs/dbraw/zinc/07/12/16/387071216.db2.gz KJZVVMCATSUBLO-QMMMGPOBSA-N -1 3 237.321 0.658 20 0 BCADHM CC(C)(CCO)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000228617158 387112923 /nfs/dbraw/zinc/11/29/23/387112923.db2.gz YYFJYOAUPUUTCR-UHFFFAOYSA-N -1 3 247.320 0.097 20 0 BCADHM Cn1nc(C(=O)Nc2ncccc2[O-])ccc1=O ZINC000069741718 387118445 /nfs/dbraw/zinc/11/84/45/387118445.db2.gz WSOUCFGOZSFCCU-UHFFFAOYSA-N -1 3 246.226 0.133 20 0 BCADHM C[C@@H]1OCC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000129923108 387243395 /nfs/dbraw/zinc/24/33/95/387243395.db2.gz KUXUZPXSWATAJH-CBAPKCEASA-N -1 3 246.270 0.865 20 0 BCADHM CCO[C@@H](C)c1nccn1Cc1nnn[n-]1 ZINC000360567341 387311474 /nfs/dbraw/zinc/31/14/74/387311474.db2.gz DVSCANQFSRIZPG-ZETCQYMHSA-N -1 3 222.252 0.542 20 0 BCADHM CCO[C@@H](C)c1nccn1Cc1nn[n-]n1 ZINC000360567341 387311481 /nfs/dbraw/zinc/31/14/81/387311481.db2.gz DVSCANQFSRIZPG-ZETCQYMHSA-N -1 3 222.252 0.542 20 0 BCADHM Cc1cccc(C(=O)N2CN(C)C(=O)[C@@H]2C)c1[O-] ZINC000648640814 387267512 /nfs/dbraw/zinc/26/75/12/387267512.db2.gz UVPQMPFGMVUYKB-VIFPVBQESA-N -1 3 248.282 0.961 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CN(C)C(=O)[C@@H]2C)c1 ZINC000648641924 387267781 /nfs/dbraw/zinc/26/77/81/387267781.db2.gz SOTORXOPQSGALQ-VIFPVBQESA-N -1 3 248.282 0.961 20 0 BCADHM C[C@]1(C(=O)NCc2ncccc2[O-])CCOC1 ZINC000352508917 387268266 /nfs/dbraw/zinc/26/82/66/387268266.db2.gz NZQOQYHTIHPAAN-LBPRGKRZSA-N -1 3 236.271 0.830 20 0 BCADHM CC(C)(O)C(=O)NCc1ncccc1[O-] ZINC000352510240 387268449 /nfs/dbraw/zinc/26/84/49/387268449.db2.gz RQOVZCIFCFBOKR-UHFFFAOYSA-N -1 3 210.233 0.174 20 0 BCADHM CCCCN1CCCC[C@H]1CNC(=O)C(=O)[O-] ZINC000360409126 387279392 /nfs/dbraw/zinc/27/93/92/387279392.db2.gz VBERURQUEWHJJF-JTQLQIEISA-N -1 3 242.319 0.842 20 0 BCADHM Cn1cc(NC(=O)c2cccc3nn[n-]c32)nn1 ZINC000572314075 387318122 /nfs/dbraw/zinc/31/81/22/387318122.db2.gz TWRRADBYOHUCGO-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM Cn1cc(NC(=O)c2cccc3[n-]nnc32)nn1 ZINC000572314075 387318126 /nfs/dbraw/zinc/31/81/26/387318126.db2.gz TWRRADBYOHUCGO-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM Cn1cc(NC(=O)c2cccc3n[n-]nc32)nn1 ZINC000572314075 387318128 /nfs/dbraw/zinc/31/81/28/387318128.db2.gz TWRRADBYOHUCGO-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM Cc1n[n-]c(NC(=O)c2cccn(C)c2=O)n1 ZINC000353876958 387290661 /nfs/dbraw/zinc/29/06/61/387290661.db2.gz ZQXXNPGUPZXHJO-UHFFFAOYSA-N -1 3 233.231 0.064 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCCOCC2)n[n-]1 ZINC000373335877 387358142 /nfs/dbraw/zinc/35/81/42/387358142.db2.gz CZOKHBWGVLJMDE-ZETCQYMHSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCCOCC2)[n-]1 ZINC000373335877 387358144 /nfs/dbraw/zinc/35/81/44/387358144.db2.gz CZOKHBWGVLJMDE-ZETCQYMHSA-N -1 3 240.263 0.569 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCCOCC2)n1 ZINC000373335877 387358148 /nfs/dbraw/zinc/35/81/48/387358148.db2.gz CZOKHBWGVLJMDE-ZETCQYMHSA-N -1 3 240.263 0.569 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1CCCO1 ZINC000306243698 387360258 /nfs/dbraw/zinc/36/02/58/387360258.db2.gz MIIAPFGEOLRRQW-UHFFFAOYSA-N -1 3 200.219 0.214 20 0 BCADHM COc1nc(NC(=O)CCOCC(C)C)n[n-]1 ZINC000352687164 387437759 /nfs/dbraw/zinc/43/77/59/387437759.db2.gz PQBLXJYBMKXFLQ-UHFFFAOYSA-N -1 3 242.279 0.815 20 0 BCADHM COc1nnc(NC(=O)CCOCC(C)C)[n-]1 ZINC000352687164 387437762 /nfs/dbraw/zinc/43/77/62/387437762.db2.gz PQBLXJYBMKXFLQ-UHFFFAOYSA-N -1 3 242.279 0.815 20 0 BCADHM COc1n[n-]c(NC(=O)CCOCC(C)C)n1 ZINC000352687164 387437767 /nfs/dbraw/zinc/43/77/67/387437767.db2.gz PQBLXJYBMKXFLQ-UHFFFAOYSA-N -1 3 242.279 0.815 20 0 BCADHM CCOCCO[C@@H](C)C(=O)[N-]c1nncn1C ZINC000361343687 387441112 /nfs/dbraw/zinc/44/11/12/387441112.db2.gz IOFLRVQVYHZRGJ-QMMMGPOBSA-N -1 3 242.279 0.195 20 0 BCADHM C[C@H](CN(C)c1ncccn1)c1nnn[n-]1 ZINC000095244203 387454361 /nfs/dbraw/zinc/45/43/61/387454361.db2.gz BEGLEPJXMRBVEF-SSDOTTSWSA-N -1 3 219.252 0.230 20 0 BCADHM C[C@H](CN(C)c1ncccn1)c1nn[n-]n1 ZINC000095244203 387454366 /nfs/dbraw/zinc/45/43/66/387454366.db2.gz BEGLEPJXMRBVEF-SSDOTTSWSA-N -1 3 219.252 0.230 20 0 BCADHM COC[C@H](C)N(C)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000354510620 387387140 /nfs/dbraw/zinc/38/71/40/387387140.db2.gz RKWNJSWKLBPJQL-LURJTMIESA-N -1 3 236.279 0.188 20 0 BCADHM CO[C@H]1CCCC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000266148200 387396133 /nfs/dbraw/zinc/39/61/33/387396133.db2.gz MVRNMDMMWLXECK-CBAPKCEASA-N -1 3 224.264 0.492 20 0 BCADHM CO[C@H]1CCCC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000266148200 387396138 /nfs/dbraw/zinc/39/61/38/387396138.db2.gz MVRNMDMMWLXECK-CBAPKCEASA-N -1 3 224.264 0.492 20 0 BCADHM CO[C@H]1CCCC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000266148200 387396142 /nfs/dbraw/zinc/39/61/42/387396142.db2.gz MVRNMDMMWLXECK-CBAPKCEASA-N -1 3 224.264 0.492 20 0 BCADHM COC[C@@H]1CCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354585785 387399008 /nfs/dbraw/zinc/39/90/08/387399008.db2.gz IXLPJNXGWCDMMS-SSDOTTSWSA-N -1 3 248.290 0.190 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCCOCC1 ZINC000374025835 387412322 /nfs/dbraw/zinc/41/23/22/387412322.db2.gz AIZCXEFGRYCPOX-UHFFFAOYSA-N -1 3 246.270 0.820 20 0 BCADHM CC[C@H](C)[C@H](N)C(=O)NCc1ncccc1[O-] ZINC000423762899 387415842 /nfs/dbraw/zinc/41/58/42/387415842.db2.gz VGNGSHRDVXTQTM-KWQFWETISA-N -1 3 237.303 0.777 20 0 BCADHM CC(C)[C@](C)([N-]C(=O)C(F)F)C(N)=O ZINC000287700591 387499052 /nfs/dbraw/zinc/49/90/52/387499052.db2.gz DZXDIBLCVHHRPV-QMMMGPOBSA-N -1 3 208.208 0.268 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1C[C@@H](O)C2(CC2)C1 ZINC000527168478 387515070 /nfs/dbraw/zinc/51/50/70/387515070.db2.gz CHZIXRNKMCWKAW-SSDOTTSWSA-N -1 3 240.284 0.446 20 0 BCADHM O=C(NC[C@H]1CNCCO1)c1ccccc1[O-] ZINC000036285425 387583557 /nfs/dbraw/zinc/58/35/57/387583557.db2.gz HXEDXJIVSKZQOK-SECBINFHSA-N -1 3 236.271 0.110 20 0 BCADHM Cn1c(NC(=O)c2nnc[n-]2)nc2cccnc21 ZINC000356124554 387617650 /nfs/dbraw/zinc/61/76/50/387617650.db2.gz WXUKTILFIHQFLK-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM Cn1c(NC(=O)c2nc[n-]n2)nc2cccnc21 ZINC000356124554 387617651 /nfs/dbraw/zinc/61/76/51/387617651.db2.gz WXUKTILFIHQFLK-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM CC[C@@H](CO)[N-]S(=O)(=O)c1ccccn1 ZINC000305727125 387637999 /nfs/dbraw/zinc/63/79/99/387637999.db2.gz YBTAURSPDFFNNI-QMMMGPOBSA-N -1 3 230.289 0.131 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1ccccn1)[C@@H](C)O ZINC000451909637 387678766 /nfs/dbraw/zinc/67/87/66/387678766.db2.gz LLGQGSICDNAEDS-RKDXNWHRSA-N -1 3 244.316 0.519 20 0 BCADHM CCn1ncc(CNCc2nc(C)ccc2[O-])n1 ZINC000527733941 387682544 /nfs/dbraw/zinc/68/25/44/387682544.db2.gz INNDYLLZJDDZBB-UHFFFAOYSA-N -1 3 247.302 0.997 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@@H]1CCOC1 ZINC000126559648 387688109 /nfs/dbraw/zinc/68/81/09/387688109.db2.gz JOAMZSOKLITDAO-HTQZYQBOSA-N -1 3 245.304 0.113 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2C(=O)NCC[C@@H]2C)n1 ZINC000441338497 387748243 /nfs/dbraw/zinc/74/82/43/387748243.db2.gz FMFTUVPQOSMXSU-QPUJVOFHSA-N -1 3 249.314 0.710 20 0 BCADHM O=C(Cn1cnnn1)Nc1ccccc1[O-] ZINC000440935331 387713392 /nfs/dbraw/zinc/71/33/92/387713392.db2.gz JLTIXABFKOIGMW-UHFFFAOYSA-N -1 3 219.204 0.017 20 0 BCADHM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]Cc1ccno1 ZINC000442744892 387832843 /nfs/dbraw/zinc/83/28/43/387832843.db2.gz NPDDFDFZSLXJMR-APPZFPTMSA-N -1 3 246.288 0.271 20 0 BCADHM CCN(CCO)C(=O)c1cc(OC)ccc1[O-] ZINC000037862166 387913475 /nfs/dbraw/zinc/91/34/75/387913475.db2.gz VPHMZAOGDKDAKV-UHFFFAOYSA-N -1 3 239.271 0.855 20 0 BCADHM O=S(=O)([N-]C1CNC1)c1cccc(F)c1F ZINC000237806117 387928251 /nfs/dbraw/zinc/92/82/51/387928251.db2.gz JAURVPAXSZGHNG-UHFFFAOYSA-N -1 3 248.254 0.215 20 0 BCADHM CCN(C(=O)c1ccc2n[n-]nc2c1)C1COC1 ZINC000452954633 387944023 /nfs/dbraw/zinc/94/40/23/387944023.db2.gz GYLQHCTXTVAGMB-UHFFFAOYSA-N -1 3 246.270 0.819 20 0 BCADHM CC[C@@H](O)CS(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000453012543 387960942 /nfs/dbraw/zinc/96/09/42/387960942.db2.gz CJPALGSLJLJRGR-SSDOTTSWSA-N -1 3 245.304 0.227 20 0 BCADHM CC[C@@H](O)CS(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000453012543 387960944 /nfs/dbraw/zinc/96/09/44/387960944.db2.gz CJPALGSLJLJRGR-SSDOTTSWSA-N -1 3 245.304 0.227 20 0 BCADHM C[C@H](CO)N(C)C(=O)c1ccccc1[O-] ZINC000159193120 388000450 /nfs/dbraw/zinc/00/04/50/388000450.db2.gz JADOVPQGNQMIHQ-MRVPVSSYSA-N -1 3 209.245 0.845 20 0 BCADHM Cc1cccc(OCCNC(=O)c2c[n-]nn2)c1 ZINC000108286141 388023493 /nfs/dbraw/zinc/02/34/93/388023493.db2.gz SHWDHQLVEKCMQD-UHFFFAOYSA-N -1 3 246.270 0.922 20 0 BCADHM Cc1cccc(OCCNC(=O)c2cnn[n-]2)c1 ZINC000108286141 388023497 /nfs/dbraw/zinc/02/34/97/388023497.db2.gz SHWDHQLVEKCMQD-UHFFFAOYSA-N -1 3 246.270 0.922 20 0 BCADHM Cc1cccc(OCCNC(=O)c2cn[n-]n2)c1 ZINC000108286141 388023500 /nfs/dbraw/zinc/02/35/00/388023500.db2.gz SHWDHQLVEKCMQD-UHFFFAOYSA-N -1 3 246.270 0.922 20 0 BCADHM O=C(CCC1CC1)[N-]c1nnc2[nH]cnn12 ZINC000646266617 388173025 /nfs/dbraw/zinc/17/30/25/388173025.db2.gz HQAVEXBRZWCGDO-UHFFFAOYSA-N -1 3 220.236 0.581 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1CCCS1 ZINC000646267303 388173599 /nfs/dbraw/zinc/17/35/99/388173599.db2.gz KVIVIURJIOWQQO-RXMQYKEDSA-N -1 3 238.276 0.287 20 0 BCADHM CC(C)[C@H](C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646268405 388173734 /nfs/dbraw/zinc/17/37/34/388173734.db2.gz YVQBOWWBDVHYQC-LURJTMIESA-N -1 3 222.252 0.683 20 0 BCADHM C[C@H]1C[C@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646267925 388173981 /nfs/dbraw/zinc/17/39/81/388173981.db2.gz LXDBAZWUQVCVSX-CRCLSJGQSA-N -1 3 206.209 0.047 20 0 BCADHM CC(C)CCS(=O)(=O)[N-]CC(F)(F)CN ZINC000164914075 388249654 /nfs/dbraw/zinc/24/96/54/388249654.db2.gz GXKRVPWOHLLOMA-UHFFFAOYSA-N -1 3 244.307 0.546 20 0 BCADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC000459376176 388242558 /nfs/dbraw/zinc/24/25/58/388242558.db2.gz RBOLTDNCNWJGFZ-LDYMZIIASA-N -1 3 249.314 0.872 20 0 BCADHM CN(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000071140105 388268577 /nfs/dbraw/zinc/26/85/77/388268577.db2.gz XMQLCCJTWOTWRA-VIFPVBQESA-N -1 3 235.287 0.563 20 0 BCADHM O=S(=O)([N-][C@H]1CCC[C@@H]1O)c1cccs1 ZINC000170278879 388272926 /nfs/dbraw/zinc/27/29/26/388272926.db2.gz SRSPTSRFIFZILO-YUMQZZPRSA-N -1 3 247.341 0.940 20 0 BCADHM CC(C)(C)/C=C\C(=O)[N-]OCC(N)=O ZINC000492369492 388342690 /nfs/dbraw/zinc/34/26/90/388342690.db2.gz OVDVAVAZUQGKJO-PLNGDYQASA-N -1 3 200.238 0.122 20 0 BCADHM C[C@@]1(CO)CCC[C@H]1NC(=O)c1c[n-]nn1 ZINC000162222718 388347890 /nfs/dbraw/zinc/34/78/90/388347890.db2.gz XWVWBFHTLVFZSB-SCZZXKLOSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@@]1(CO)CCC[C@H]1NC(=O)c1cnn[n-]1 ZINC000162222718 388347893 /nfs/dbraw/zinc/34/78/93/388347893.db2.gz XWVWBFHTLVFZSB-SCZZXKLOSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@@]1(CO)CCC[C@H]1NC(=O)c1cn[n-]n1 ZINC000162222718 388347894 /nfs/dbraw/zinc/34/78/94/388347894.db2.gz XWVWBFHTLVFZSB-SCZZXKLOSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NCC=Cc1cccnc1)c1c[n-]nn1 ZINC000646405897 388351217 /nfs/dbraw/zinc/35/12/17/388351217.db2.gz MPHWDMLCXKBSLX-DUXPYHPUSA-N -1 3 229.243 0.643 20 0 BCADHM O=C(NCC=Cc1cccnc1)c1cnn[n-]1 ZINC000646405897 388351220 /nfs/dbraw/zinc/35/12/20/388351220.db2.gz MPHWDMLCXKBSLX-DUXPYHPUSA-N -1 3 229.243 0.643 20 0 BCADHM O=C(NCC=Cc1cccnc1)c1cn[n-]n1 ZINC000646405897 388351221 /nfs/dbraw/zinc/35/12/21/388351221.db2.gz MPHWDMLCXKBSLX-DUXPYHPUSA-N -1 3 229.243 0.643 20 0 BCADHM C[C@H](N)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000516574568 388352071 /nfs/dbraw/zinc/35/20/71/388352071.db2.gz SPOQDVHLOKXXEE-JGVFFNPUSA-N -1 3 230.308 0.729 20 0 BCADHM C[C@@H]1[C@H](C)CN(CC(=O)Nc2nnn[n-]2)[C@H]1C ZINC000572706523 388368418 /nfs/dbraw/zinc/36/84/18/388368418.db2.gz QTOPERQCHYIUMK-PRJMDXOYSA-N -1 3 238.295 0.115 20 0 BCADHM C[C@@H]1[C@H](C)CN(CC(=O)Nc2nn[n-]n2)[C@H]1C ZINC000572706523 388368420 /nfs/dbraw/zinc/36/84/20/388368420.db2.gz QTOPERQCHYIUMK-PRJMDXOYSA-N -1 3 238.295 0.115 20 0 BCADHM NC(=O)CNC(=O)c1cc([O-])ccc1Cl ZINC000236176708 388378147 /nfs/dbraw/zinc/37/81/47/388378147.db2.gz GPHRBUZXUWQIME-UHFFFAOYSA-N -1 3 228.635 0.261 20 0 BCADHM CC(C)(O)CC(=O)[N-]OC/C=C/Cl ZINC000291950428 388378943 /nfs/dbraw/zinc/37/89/43/388378943.db2.gz WOMLLIJUBJDMTC-ONEGZZNKSA-N -1 3 207.657 0.948 20 0 BCADHM O=C(c1cccc([O-])c1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000646664337 388406365 /nfs/dbraw/zinc/40/63/65/388406365.db2.gz LLFAUOFUNFOTDZ-GDNZZTSVSA-N -1 3 233.267 0.703 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)/C=C/C1CCC1 ZINC000492094893 388334818 /nfs/dbraw/zinc/33/48/18/388334818.db2.gz ZOEUSHTTWGMRQN-QRGHLMKCSA-N -1 3 249.314 0.971 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1CCO[C@H]2C[C@H]21 ZINC000646741577 388451093 /nfs/dbraw/zinc/45/10/93/388451093.db2.gz DXNBYRAJSKPONO-RQJHMYQMSA-N -1 3 226.257 0.462 20 0 BCADHM COC[C@](C)(NCc1cccnc1C)C(=O)[O-] ZINC000336891086 388470661 /nfs/dbraw/zinc/47/06/61/388470661.db2.gz PEJDDGIFFAIFKQ-LBPRGKRZSA-N -1 3 238.287 0.969 20 0 BCADHM COC1(CNC(=O)c2c[n-]nn2)CCCC1 ZINC000295367098 388411290 /nfs/dbraw/zinc/41/12/90/388411290.db2.gz OKNWKTVMTTXZQM-UHFFFAOYSA-N -1 3 224.264 0.494 20 0 BCADHM COC1(CNC(=O)c2cnn[n-]2)CCCC1 ZINC000295367098 388411291 /nfs/dbraw/zinc/41/12/91/388411291.db2.gz OKNWKTVMTTXZQM-UHFFFAOYSA-N -1 3 224.264 0.494 20 0 BCADHM COC1(CNC(=O)c2cn[n-]n2)CCCC1 ZINC000295367098 388411293 /nfs/dbraw/zinc/41/12/93/388411293.db2.gz OKNWKTVMTTXZQM-UHFFFAOYSA-N -1 3 224.264 0.494 20 0 BCADHM CC(=O)N1CC[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000175000113 388425422 /nfs/dbraw/zinc/42/54/22/388425422.db2.gz MAOQRAFRXKAJQK-SECBINFHSA-N -1 3 249.270 0.594 20 0 BCADHM CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000001612097 388431219 /nfs/dbraw/zinc/43/12/19/388431219.db2.gz CMFNFHIVGKFREN-UHFFFAOYSA-N -1 3 211.217 0.769 20 0 BCADHM C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)[C@H]1C(=O)[O-] ZINC000573220597 388432499 /nfs/dbraw/zinc/43/24/99/388432499.db2.gz GTNLYZSNWVBEFS-LURQLKTLSA-N -1 3 226.276 0.045 20 0 BCADHM C[C@H]1CCC[C@H](C)N1CCN=c1nn[n-]n1C ZINC000517393064 388550080 /nfs/dbraw/zinc/55/00/80/388550080.db2.gz HHFFVCLJADWMMH-UWVGGRQHSA-N -1 3 238.339 0.307 20 0 BCADHM Cc1csc(CNC(=O)c2c[n-]nn2)n1 ZINC000088342083 388528786 /nfs/dbraw/zinc/52/87/86/388528786.db2.gz AGGCVKWYOJUELU-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM Cc1csc(CNC(=O)c2cnn[n-]2)n1 ZINC000088342083 388528788 /nfs/dbraw/zinc/52/87/88/388528788.db2.gz AGGCVKWYOJUELU-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM Cc1csc(CNC(=O)c2cn[n-]n2)n1 ZINC000088342083 388528790 /nfs/dbraw/zinc/52/87/90/388528790.db2.gz AGGCVKWYOJUELU-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM CC(=O)[N-]OCc1nnc(C2CC2)s1 ZINC000530160716 388617137 /nfs/dbraw/zinc/61/71/37/388617137.db2.gz RBAFHFDUBGWSOA-UHFFFAOYSA-N -1 3 213.262 0.983 20 0 BCADHM C[C@@H](O)CCNC(=O)c1c([O-])cccc1O ZINC000220255693 388602415 /nfs/dbraw/zinc/60/24/15/388602415.db2.gz GTBVZSCDMIDRRQ-SSDOTTSWSA-N -1 3 225.244 0.599 20 0 BCADHM C[C@H](O)CN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530165856 388618134 /nfs/dbraw/zinc/61/81/34/388618134.db2.gz IKWYUTYFESAKBC-OIBJUYFYSA-N -1 3 225.244 0.644 20 0 BCADHM O=C(Cn1cccn1)Nc1ncccc1[O-] ZINC000082267961 388611750 /nfs/dbraw/zinc/61/17/50/388611750.db2.gz LBDNCDOLZJESSY-UHFFFAOYSA-N -1 3 218.216 0.622 20 0 BCADHM O=C(NC[C@H](O)C(F)F)c1ccccc1[O-] ZINC000220128821 256865035 /nfs/dbraw/zinc/86/50/35/256865035.db2.gz KWPGNAKLERUFAH-QMMMGPOBSA-N -1 3 231.198 0.748 20 0 BCADHM COCC1([N-]S(=O)(=O)c2ccccn2)CC1 ZINC000550824354 388615603 /nfs/dbraw/zinc/61/56/03/388615603.db2.gz GTBVWVDWYMMCHW-UHFFFAOYSA-N -1 3 242.300 0.539 20 0 BCADHM O=C(NCCF)c1cc(=O)[n-]c(C2CC2)n1 ZINC000521067118 388560548 /nfs/dbraw/zinc/56/05/48/388560548.db2.gz ZKASVBONUOHAHW-UHFFFAOYSA-N -1 3 225.223 0.759 20 0 BCADHM CC[C@H](C(=O)N[C@H](C)C(=O)[O-])N(CC)CC ZINC000261568883 135210881 /nfs/dbraw/zinc/21/08/81/135210881.db2.gz FXCZCFJKQHMZSX-RKDXNWHRSA-N -1 3 230.308 0.696 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC000528761947 388568792 /nfs/dbraw/zinc/56/87/92/388568792.db2.gz KHZJJFOLQGCRQL-OORONAJNSA-N -1 3 240.307 0.010 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000528764919 388568829 /nfs/dbraw/zinc/56/88/29/388568829.db2.gz PBIHHOPEBCYOPN-LKHWLPBLSA-N -1 3 226.280 0.412 20 0 BCADHM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000328196286 388585741 /nfs/dbraw/zinc/58/57/41/388585741.db2.gz CJTPXUZGQHEXKL-ZETCQYMHSA-N -1 3 245.304 0.256 20 0 BCADHM CN(CC(C)(C)O)C(=O)c1c([O-])cccc1O ZINC000125827021 388677871 /nfs/dbraw/zinc/67/78/71/388677871.db2.gz SENHYJDFYYRGBS-UHFFFAOYSA-N -1 3 239.271 0.941 20 0 BCADHM CC[C@H](F)CN1CC[C@](OC)(C(=O)[O-])C1 ZINC000530168969 388619369 /nfs/dbraw/zinc/61/93/69/388619369.db2.gz GLNFORNSKNDWRX-WCBMZHEXSA-N -1 3 219.256 0.910 20 0 BCADHM CC(=O)NC1CN(C(=O)c2ccccc2[O-])C1 ZINC000190513428 388652332 /nfs/dbraw/zinc/65/23/32/388652332.db2.gz OPCMRKMHCXRPKR-UHFFFAOYSA-N -1 3 234.255 0.353 20 0 BCADHM OCc1nnc(Sc2ncc(F)cn2)[n-]1 ZINC000530427249 388655384 /nfs/dbraw/zinc/65/53/84/388655384.db2.gz BWKDWXFDTHIDBW-UHFFFAOYSA-N -1 3 227.224 0.377 20 0 BCADHM OCc1n[n-]c(Sc2ncc(F)cn2)n1 ZINC000530427249 388655388 /nfs/dbraw/zinc/65/53/88/388655388.db2.gz BWKDWXFDTHIDBW-UHFFFAOYSA-N -1 3 227.224 0.377 20 0 BCADHM OCc1nc(Sc2ncc(F)cn2)n[n-]1 ZINC000530427249 388655391 /nfs/dbraw/zinc/65/53/91/388655391.db2.gz BWKDWXFDTHIDBW-UHFFFAOYSA-N -1 3 227.224 0.377 20 0 BCADHM COC(C)(C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522262284 388740177 /nfs/dbraw/zinc/74/01/77/388740177.db2.gz NYLPRIWVXCHCJG-MRVPVSSYSA-N -1 3 241.291 0.040 20 0 BCADHM CCOC(=O)CNC(=O)Cc1cncc([O-])c1 ZINC000553004228 388744312 /nfs/dbraw/zinc/74/43/12/388744312.db2.gz QIQPFGKQZSYNKE-UHFFFAOYSA-N -1 3 238.243 0.009 20 0 BCADHM CCc1nnc(CNc2ccncc2C(=O)[O-])o1 ZINC000564216095 388750594 /nfs/dbraw/zinc/75/05/94/388750594.db2.gz ZUDKYXZCFVYQNW-UHFFFAOYSA-N -1 3 248.242 0.759 20 0 BCADHM COc1nnc(NC(=O)c2scnc2C)[n-]1 ZINC000126766769 388701730 /nfs/dbraw/zinc/70/17/30/388701730.db2.gz FMSIBAOEEYYOME-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM COc1nc(NC(=O)c2scnc2C)n[n-]1 ZINC000126766769 388701732 /nfs/dbraw/zinc/70/17/32/388701732.db2.gz FMSIBAOEEYYOME-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM COc1n[n-]c(NC(=O)c2scnc2C)n1 ZINC000126766769 388701734 /nfs/dbraw/zinc/70/17/34/388701734.db2.gz FMSIBAOEEYYOME-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM COc1nnc(NC(=O)c2cccnc2)[n-]1 ZINC000126781597 388702551 /nfs/dbraw/zinc/70/25/51/388702551.db2.gz SXQFIAOZRLQGJW-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1nc(NC(=O)c2cccnc2)n[n-]1 ZINC000126781597 388702554 /nfs/dbraw/zinc/70/25/54/388702554.db2.gz SXQFIAOZRLQGJW-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1n[n-]c(NC(=O)c2cccnc2)n1 ZINC000126781597 388702557 /nfs/dbraw/zinc/70/25/57/388702557.db2.gz SXQFIAOZRLQGJW-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM O=C(NC[C@H]1CCCS1)c1c[n-]nn1 ZINC000087475683 388705741 /nfs/dbraw/zinc/70/57/41/388705741.db2.gz XBDOPPWQVMHGBI-ZCFIWIBFSA-N -1 3 212.278 0.430 20 0 BCADHM O=C(NC[C@H]1CCCS1)c1cnn[n-]1 ZINC000087475683 388705744 /nfs/dbraw/zinc/70/57/44/388705744.db2.gz XBDOPPWQVMHGBI-ZCFIWIBFSA-N -1 3 212.278 0.430 20 0 BCADHM O=C(NC[C@H]1CCCS1)c1cn[n-]n1 ZINC000087475683 388705748 /nfs/dbraw/zinc/70/57/48/388705748.db2.gz XBDOPPWQVMHGBI-ZCFIWIBFSA-N -1 3 212.278 0.430 20 0 BCADHM O=c1[n-]c(CN2CCC[C@@H]3COCC[C@H]32)n[nH]1 ZINC000540347062 388804634 /nfs/dbraw/zinc/80/46/34/388804634.db2.gz YOSZZEWGDPODAM-RKDXNWHRSA-N -1 3 238.291 0.511 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1cn[nH]c1 ZINC000229961915 388806325 /nfs/dbraw/zinc/80/63/25/388806325.db2.gz LEYOWINRLHHYHJ-RXMQYKEDSA-N -1 3 206.209 0.019 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1cn[nH]c1 ZINC000229961915 388806327 /nfs/dbraw/zinc/80/63/27/388806327.db2.gz LEYOWINRLHHYHJ-RXMQYKEDSA-N -1 3 206.209 0.019 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1cn[nH]c1 ZINC000229961915 388806329 /nfs/dbraw/zinc/80/63/29/388806329.db2.gz LEYOWINRLHHYHJ-RXMQYKEDSA-N -1 3 206.209 0.019 20 0 BCADHM CC[C@@H](O)C[N-]S(=O)(=O)c1cccs1 ZINC000230023907 388811600 /nfs/dbraw/zinc/81/16/00/388811600.db2.gz BBFKYLARWMWCGC-SSDOTTSWSA-N -1 3 235.330 0.797 20 0 BCADHM CCC[C@H](O)CN1C[C@H](OC)C[C@H]1C(=O)[O-] ZINC000564218926 388761222 /nfs/dbraw/zinc/76/12/22/388761222.db2.gz NIMWNUFFKFHQPJ-AEJSXWLSSA-N -1 3 231.292 0.321 20 0 BCADHM O=c1[n-]c(=O)n(C[C@H]2CCCCO2)cc1Cl ZINC000091329554 388762392 /nfs/dbraw/zinc/76/23/92/388762392.db2.gz LRWJCVPVAPSSPS-SSDOTTSWSA-N -1 3 244.678 0.759 20 0 BCADHM CCOc1cccnc1C(=O)[N-]c1ncn(C)n1 ZINC000554456515 388814728 /nfs/dbraw/zinc/81/47/28/388814728.db2.gz MLUYTZFPRUYOKF-UHFFFAOYSA-N -1 3 247.258 0.861 20 0 BCADHM COc1nc(NC(=O)[C@H](C)OCC(C)C)n[n-]1 ZINC000540914262 388826386 /nfs/dbraw/zinc/82/63/86/388826386.db2.gz YEGGERHIMZXOOD-ZETCQYMHSA-N -1 3 242.279 0.813 20 0 BCADHM COc1nnc(NC(=O)[C@H](C)OCC(C)C)[n-]1 ZINC000540914262 388826388 /nfs/dbraw/zinc/82/63/88/388826388.db2.gz YEGGERHIMZXOOD-ZETCQYMHSA-N -1 3 242.279 0.813 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](C)OCC(C)C)n1 ZINC000540914262 388826393 /nfs/dbraw/zinc/82/63/93/388826393.db2.gz YEGGERHIMZXOOD-ZETCQYMHSA-N -1 3 242.279 0.813 20 0 BCADHM CC[C@@H](OC)C(=O)Nc1[n-]cnc1C(=O)OC ZINC000555511323 388852338 /nfs/dbraw/zinc/85/23/38/388852338.db2.gz BRPPWHRTYIMJFD-ZCFIWIBFSA-N -1 3 241.247 0.560 20 0 BCADHM CC[C@@H](OC)C(=O)Nc1nc[n-]c1C(=O)OC ZINC000555511323 388852340 /nfs/dbraw/zinc/85/23/40/388852340.db2.gz BRPPWHRTYIMJFD-ZCFIWIBFSA-N -1 3 241.247 0.560 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)C(C)C ZINC000523694395 388854372 /nfs/dbraw/zinc/85/43/72/388854372.db2.gz OVHLWPVVYGGLEZ-PSASIEDQSA-N -1 3 239.319 0.907 20 0 BCADHM Cc1c[nH]cc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000523694859 388855019 /nfs/dbraw/zinc/85/50/19/388855019.db2.gz FUQJJEWYYZRORI-SECBINFHSA-N -1 3 248.286 0.565 20 0 BCADHM Cc1cc(C(=O)N2CN(C)C(=O)[C@H]2C)ccc1[O-] ZINC000649159295 388882725 /nfs/dbraw/zinc/88/27/25/388882725.db2.gz LMNCLXOIZXGMKL-SECBINFHSA-N -1 3 248.282 0.961 20 0 BCADHM CCC[C@H](C)[C@@H](CO)NC(=O)c1cnn[n-]1 ZINC000564660927 388883550 /nfs/dbraw/zinc/88/35/50/388883550.db2.gz BLFNMTBBEFMMQK-IONNQARKSA-N -1 3 226.280 0.332 20 0 BCADHM CCC[C@H](C)[C@@H](CO)NC(=O)c1c[n-]nn1 ZINC000564660927 388883547 /nfs/dbraw/zinc/88/35/47/388883547.db2.gz BLFNMTBBEFMMQK-IONNQARKSA-N -1 3 226.280 0.332 20 0 BCADHM C[C@H]1C(=O)N(C)CN1C(=O)c1cccc([O-])c1 ZINC000649162392 388883694 /nfs/dbraw/zinc/88/36/94/388883694.db2.gz PRHPJWZBKFOCSC-QMMMGPOBSA-N -1 3 234.255 0.652 20 0 BCADHM CCC[C@H](C)[C@@H](CO)NC(=O)c1cn[n-]n1 ZINC000564660927 388883553 /nfs/dbraw/zinc/88/35/53/388883553.db2.gz BLFNMTBBEFMMQK-IONNQARKSA-N -1 3 226.280 0.332 20 0 BCADHM CN(CCCCO)Cc1ncccc1[O-] ZINC000564757268 388887510 /nfs/dbraw/zinc/88/75/10/388887510.db2.gz DBURLVMOALWDMF-UHFFFAOYSA-N -1 3 210.277 0.992 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000564891230 388896883 /nfs/dbraw/zinc/89/68/83/388896883.db2.gz UGISCUJSWLOWGX-MBTKJCJQSA-N -1 3 241.316 0.497 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000565051314 388910976 /nfs/dbraw/zinc/91/09/76/388910976.db2.gz KQEMDQMECVMUIX-NKWVEPMBSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000565051314 388910980 /nfs/dbraw/zinc/91/09/80/388910980.db2.gz KQEMDQMECVMUIX-NKWVEPMBSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000565051314 388910983 /nfs/dbraw/zinc/91/09/83/388910983.db2.gz KQEMDQMECVMUIX-NKWVEPMBSA-N -1 3 249.274 0.278 20 0 BCADHM [O-]c1cccnc1CN1CCC[C@H](CO)C1 ZINC000565590797 388955995 /nfs/dbraw/zinc/95/59/95/388955995.db2.gz GQHXTOIWKJQNAF-JTQLQIEISA-N -1 3 222.288 0.992 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)CCC(F)(F)F ZINC000340940061 168208974 /nfs/dbraw/zinc/20/89/74/168208974.db2.gz XWFMFSVJCPERED-UHFFFAOYSA-N -1 3 247.238 0.837 20 0 BCADHM C[C@@H]1COCCN1c1nc2nncc-2c(O)[n-]1 ZINC000329438117 132244162 /nfs/dbraw/zinc/24/41/62/132244162.db2.gz MHOAEASIGQCDQF-ZCFIWIBFSA-N -1 3 235.247 0.284 20 0 BCADHM O=C(N[C@@H]1CC[C@H]1O)c1cccc([O-])c1 ZINC000335488453 133864154 /nfs/dbraw/zinc/86/41/54/133864154.db2.gz RHGYUQLYNFRWHJ-NXEZZACHSA-N -1 3 207.229 0.645 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C(C)(C)CF)c1 ZINC000336216749 134137267 /nfs/dbraw/zinc/13/72/67/134137267.db2.gz NEJXTPIMSUEHGC-UHFFFAOYSA-N -1 3 235.284 0.447 20 0 BCADHM O=C(NC1CC(C(F)(F)F)C1)c1c[n-]nn1 ZINC000336392216 134146074 /nfs/dbraw/zinc/14/60/74/134146074.db2.gz JNCIUMLOGGGIJO-UHFFFAOYSA-N -1 3 234.181 0.875 20 0 BCADHM O=C(NC1CC(C(F)(F)F)C1)c1cnn[n-]1 ZINC000336392216 134146075 /nfs/dbraw/zinc/14/60/75/134146075.db2.gz JNCIUMLOGGGIJO-UHFFFAOYSA-N -1 3 234.181 0.875 20 0 BCADHM O=C(NC1CC(C(F)(F)F)C1)c1cn[n-]n1 ZINC000336392216 134146076 /nfs/dbraw/zinc/14/60/76/134146076.db2.gz JNCIUMLOGGGIJO-UHFFFAOYSA-N -1 3 234.181 0.875 20 0 BCADHM C[C@]1(C(=O)Nc2ccccc2[O-])CNC(=O)C1 ZINC000170247023 134252217 /nfs/dbraw/zinc/25/22/17/134252217.db2.gz QTGGDHQDVJRBFC-GFCCVEGCSA-N -1 3 234.255 0.857 20 0 BCADHM Cn1ncc2c1ncc(C(=O)NC1CC1)c2[O-] ZINC000179704933 134320244 /nfs/dbraw/zinc/32/02/44/134320244.db2.gz KUEVZBPHGZIZTH-UHFFFAOYSA-N -1 3 232.243 0.566 20 0 BCADHM COc1nnc(NC(=O)CCc2ccoc2)[n-]1 ZINC000182989351 134349813 /nfs/dbraw/zinc/34/98/13/134349813.db2.gz FVPWQEHNAAIRGR-UHFFFAOYSA-N -1 3 236.231 0.978 20 0 BCADHM COc1nc(NC(=O)CCc2ccoc2)n[n-]1 ZINC000182989351 134349814 /nfs/dbraw/zinc/34/98/14/134349814.db2.gz FVPWQEHNAAIRGR-UHFFFAOYSA-N -1 3 236.231 0.978 20 0 BCADHM COc1n[n-]c(NC(=O)CCc2ccoc2)n1 ZINC000182989351 134349815 /nfs/dbraw/zinc/34/98/15/134349815.db2.gz FVPWQEHNAAIRGR-UHFFFAOYSA-N -1 3 236.231 0.978 20 0 BCADHM C[C@@H]1CN(C)CCN1C(=O)c1cncc([O-])c1 ZINC000225830187 134355590 /nfs/dbraw/zinc/35/55/90/134355590.db2.gz GUBPHUYBSPJZJB-SECBINFHSA-N -1 3 235.287 0.563 20 0 BCADHM Cc1cc(C(=O)NC(C)(C)C(N)=O)ccc1[O-] ZINC000227020946 134373824 /nfs/dbraw/zinc/37/38/24/134373824.db2.gz RWEQKQPOSKWMPE-UHFFFAOYSA-N -1 3 236.271 0.694 20 0 BCADHM COCCOCC(=O)Nc1ccccc1[O-] ZINC000227928286 134399350 /nfs/dbraw/zinc/39/93/50/134399350.db2.gz RVGVGONUEVRQDI-UHFFFAOYSA-N -1 3 225.244 0.994 20 0 BCADHM C[C@H](CO)CCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000230152714 134483417 /nfs/dbraw/zinc/48/34/17/134483417.db2.gz YOEDJJNQEAACOQ-QMMMGPOBSA-N -1 3 247.320 0.097 20 0 BCADHM CC(C)[C@H](C(=O)N(C)CC(=O)[O-])N(C)C ZINC000261531977 135161653 /nfs/dbraw/zinc/16/16/53/135161653.db2.gz IPUIIASKOCOLGR-SECBINFHSA-N -1 3 216.281 0.116 20 0 BCADHM CCCN(C)CC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000261534840 135167560 /nfs/dbraw/zinc/16/75/60/135167560.db2.gz NDGOHPLNVBPLSV-QMMMGPOBSA-N -1 3 216.281 0.260 20 0 BCADHM COC(=O)[C@H]([N-]S(=O)(=O)C1CC1)C1CC1 ZINC000342285469 135255695 /nfs/dbraw/zinc/25/56/95/135255695.db2.gz BVKXFTBCNXWDPV-MRVPVSSYSA-N -1 3 233.289 0.020 20 0 BCADHM C[C@H]1CCC[C@H](N(C)CC(=O)NCC(=O)[O-])C1 ZINC000262147461 135281985 /nfs/dbraw/zinc/28/19/85/135281985.db2.gz AGTAOWVAOQFHJR-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM C[C@H]1CC[C@H](C)N(CC(=O)NCC(=O)[O-])C1 ZINC000262216252 135285328 /nfs/dbraw/zinc/28/53/28/135285328.db2.gz KRFFIPMEFNDTRU-IUCAKERBSA-N -1 3 228.292 0.308 20 0 BCADHM CCC1(CC)CCN(CC(=O)NCC(=O)[O-])C1 ZINC000262227958 135286341 /nfs/dbraw/zinc/28/63/41/135286341.db2.gz MRPAEFQYCQXCIZ-UHFFFAOYSA-N -1 3 242.319 0.699 20 0 BCADHM C[C@H]1CCC[C@H](C)N(CC(=O)NCC(=O)[O-])C1 ZINC000262236837 135286610 /nfs/dbraw/zinc/28/66/10/135286610.db2.gz NZULCNBDADRLNK-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@@H]1C[C@@H](C)CN1CC(=O)NCC(=O)[O-] ZINC000262239879 135287620 /nfs/dbraw/zinc/28/76/20/135287620.db2.gz OMMOHOQSBNDUGW-RKDXNWHRSA-N -1 3 228.292 0.308 20 0 BCADHM O=C([O-])CNC(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000262208380 135289792 /nfs/dbraw/zinc/28/97/92/135289792.db2.gz JJEOBVFEENETHL-NXEZZACHSA-N -1 3 240.303 0.452 20 0 BCADHM CC[C@H](C)CN(CC)CC(=O)NCC(=O)[O-] ZINC000262278470 135290006 /nfs/dbraw/zinc/29/00/06/135290006.db2.gz WJDKNMLKKIFCIQ-VIFPVBQESA-N -1 3 230.308 0.555 20 0 BCADHM C[C@H](C(=O)[O-])N1CCN(c2cnn(C)c2)CC1 ZINC000262569424 135306275 /nfs/dbraw/zinc/30/62/75/135306275.db2.gz YSIYNJIYPCEJMG-SECBINFHSA-N -1 3 238.291 0.015 20 0 BCADHM C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC(=O)[O-] ZINC000262744848 135316292 /nfs/dbraw/zinc/31/62/92/135316292.db2.gz KBMSTZNQSHIJND-AOOOYVTPSA-N -1 3 242.319 0.840 20 0 BCADHM C[C@](O)(C(=O)NCc1ncccc1[O-])C1CC1 ZINC000343012372 135344319 /nfs/dbraw/zinc/34/43/19/135344319.db2.gz PKBZCOWGZRPUPZ-GFCCVEGCSA-N -1 3 236.271 0.564 20 0 BCADHM Cc1ccc([O-])c(NC(=O)c2nccnc2N)n1 ZINC000345923351 135906787 /nfs/dbraw/zinc/90/67/87/135906787.db2.gz GZCGTOKVFCTEEV-UHFFFAOYSA-N -1 3 245.242 0.720 20 0 BCADHM CC[C@H]1C[C@H](C)CN1Cc1nc(=O)n(C)[n-]1 ZINC000335329326 136052966 /nfs/dbraw/zinc/05/29/66/136052966.db2.gz MYVPMNPIPSNEEW-IUCAKERBSA-N -1 3 224.308 0.729 20 0 BCADHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccn(C)n2)C1 ZINC000335382172 136087651 /nfs/dbraw/zinc/08/76/51/136087651.db2.gz ZIXZWSMPLFXEAV-DTWKUNHWSA-N -1 3 243.332 0.887 20 0 BCADHM O=S(=O)([N-][C@H]1CCC[C@@H]1O)c1ccco1 ZINC000275437285 397755578 /nfs/dbraw/zinc/75/55/78/397755578.db2.gz GLJCOQYQMPTHMC-YUMQZZPRSA-N -1 3 231.273 0.471 20 0 BCADHM Cc1noc([C@H](C)[N-]S(=O)(=O)NC(C)C)n1 ZINC000408138393 397933180 /nfs/dbraw/zinc/93/31/80/397933180.db2.gz BYMDQVDKBIQHNI-LURJTMIESA-N -1 3 248.308 0.271 20 0 BCADHM C[C@H](CC(N)=O)[N-]S(=O)(=O)c1cccs1 ZINC000360510030 397965691 /nfs/dbraw/zinc/96/56/91/397965691.db2.gz ULEOIWOEMYBOKB-ZCFIWIBFSA-N -1 3 248.329 0.290 20 0 BCADHM CCCn1nccc1NC(=O)c1nnc[n-]1 ZINC000358457634 397942410 /nfs/dbraw/zinc/94/24/10/397942410.db2.gz RZOOEHDWMQHKMM-UHFFFAOYSA-N -1 3 220.236 0.664 20 0 BCADHM CCCn1nccc1NC(=O)c1nc[n-]n1 ZINC000358457634 397942415 /nfs/dbraw/zinc/94/24/15/397942415.db2.gz RZOOEHDWMQHKMM-UHFFFAOYSA-N -1 3 220.236 0.664 20 0 BCADHM O=S(=O)([N-]CCO)c1cncc(Cl)c1 ZINC000270015349 397959349 /nfs/dbraw/zinc/95/93/49/397959349.db2.gz VHBSDSKAFITWRE-UHFFFAOYSA-N -1 3 236.680 0.006 20 0 BCADHM CCCc1cc(NC(=O)c2cnn[n-]2)n[nH]1 ZINC000110848126 397905280 /nfs/dbraw/zinc/90/52/80/397905280.db2.gz AGDKRWAUZVYEQQ-UHFFFAOYSA-N -1 3 220.236 0.733 20 0 BCADHM CCCc1cc(NC(=O)c2c[n-]nn2)n[nH]1 ZINC000110848126 397905284 /nfs/dbraw/zinc/90/52/84/397905284.db2.gz AGDKRWAUZVYEQQ-UHFFFAOYSA-N -1 3 220.236 0.733 20 0 BCADHM CCCc1cc(NC(=O)c2cn[n-]n2)n[nH]1 ZINC000110848126 397905286 /nfs/dbraw/zinc/90/52/86/397905286.db2.gz AGDKRWAUZVYEQQ-UHFFFAOYSA-N -1 3 220.236 0.733 20 0 BCADHM CNC(=O)[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000398494482 398001203 /nfs/dbraw/zinc/00/12/03/398001203.db2.gz HNIWWLIXADRIKO-SNVBAGLBSA-N -1 3 248.282 0.600 20 0 BCADHM COc1ccc(F)cc1S(=O)(=O)[N-]CCO ZINC000036172000 398020641 /nfs/dbraw/zinc/02/06/41/398020641.db2.gz VFKJYGBJUXBLNY-UHFFFAOYSA-N -1 3 249.263 0.105 20 0 BCADHM O=S(=O)([N-]CCOCC1CC1)c1ccco1 ZINC000275489974 398021580 /nfs/dbraw/zinc/02/15/80/398021580.db2.gz PCZZZKCAYDATKU-UHFFFAOYSA-N -1 3 245.300 0.985 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1ccco1)[C@H]1CCOC1 ZINC000275492393 398021938 /nfs/dbraw/zinc/02/19/38/398021938.db2.gz PPWMIEBEOQHUNP-BDAKNGLRSA-N -1 3 245.300 0.983 20 0 BCADHM O=C(c1ncccc1[O-])N1CCCNCC1 ZINC000037996405 398024933 /nfs/dbraw/zinc/02/49/33/398024933.db2.gz NDJIFUXYZHCAKW-UHFFFAOYSA-N -1 3 221.260 0.223 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCCN(C(=O)OC)C1 ZINC000491226945 398033227 /nfs/dbraw/zinc/03/32/27/398033227.db2.gz YNOFFDRFFOJLHI-MRVPVSSYSA-N -1 3 230.264 0.533 20 0 BCADHM O=C([O-])c1cnc(NCCN2CCCC2)nc1 ZINC000383811553 398037515 /nfs/dbraw/zinc/03/75/15/398037515.db2.gz GDBZONSMKNSPKB-UHFFFAOYSA-N -1 3 236.275 0.104 20 0 BCADHM CC(C)c1ccc(C(=O)[N-]n2cn[nH]c2=O)cn1 ZINC000272899160 397988413 /nfs/dbraw/zinc/98/84/13/397988413.db2.gz PBADSRHGNIDLPT-UHFFFAOYSA-N -1 3 247.258 0.474 20 0 BCADHM CCN(Cc1nc(C)ccc1[O-])[C@@H]1CCNC1=O ZINC000281835608 398064996 /nfs/dbraw/zinc/06/49/96/398064996.db2.gz SJWMMFBZSWJVFF-LLVKDONJSA-N -1 3 249.314 0.806 20 0 BCADHM Cn1nc(CN[C@H]2CCCC2(C)C)[n-]c1=O ZINC000309617707 398103807 /nfs/dbraw/zinc/10/38/07/398103807.db2.gz FTDNDDVEKKAGDF-QMMMGPOBSA-N -1 3 224.308 0.777 20 0 BCADHM CCc1cc(=O)[n-]c(CN(CC)C2COC2)n1 ZINC000649827173 398128140 /nfs/dbraw/zinc/12/81/40/398128140.db2.gz ZUWVCZUXOQTWOF-UHFFFAOYSA-N -1 3 237.303 0.965 20 0 BCADHM CC(C)NC(=O)C[N-]C(=O)C(C)(F)F ZINC000288630673 167055018 /nfs/dbraw/zinc/05/50/18/167055018.db2.gz SOQIYCLGVXIYOF-UHFFFAOYSA-N -1 3 208.208 0.282 20 0 BCADHM Cc1cc(C(=O)NC2COC2)ccc1[O-] ZINC000232368751 487571346 /nfs/dbraw/zinc/57/13/46/487571346.db2.gz ITLVRSNLUFXURR-UHFFFAOYSA-N -1 3 207.229 0.829 20 0 BCADHM CC(C)CCN(C)Cc1nc(=O)n(C)[n-]1 ZINC000680371253 487576165 /nfs/dbraw/zinc/57/61/65/487576165.db2.gz BAYOKFNTXSUDQD-UHFFFAOYSA-N -1 3 212.297 0.586 20 0 BCADHM CC(C)OCCS(=O)(=O)c1ncn[n-]1 ZINC000330872939 167250768 /nfs/dbraw/zinc/25/07/68/167250768.db2.gz YKIIKARHKAIFQR-UHFFFAOYSA-N -1 3 219.266 0.003 20 0 BCADHM CC(C)OCCS(=O)(=O)c1nnc[n-]1 ZINC000330872939 167250772 /nfs/dbraw/zinc/25/07/72/167250772.db2.gz YKIIKARHKAIFQR-UHFFFAOYSA-N -1 3 219.266 0.003 20 0 BCADHM O=C(NC1COC1)c1c([O-])cccc1O ZINC000232435725 487589133 /nfs/dbraw/zinc/58/91/33/487589133.db2.gz YYMKDRPPKYVHLJ-UHFFFAOYSA-N -1 3 209.201 0.226 20 0 BCADHM CO[C@@](C)(CO)CNC(=O)c1ccccc1[O-] ZINC000655207994 409526885 /nfs/dbraw/zinc/52/68/85/409526885.db2.gz IDRCHVTWEPYFAG-GFCCVEGCSA-N -1 3 239.271 0.519 20 0 BCADHM Cc1ccc([O-])c(NC(=O)c2cnn(C)c2N)n1 ZINC000680517760 487610808 /nfs/dbraw/zinc/61/08/08/487610808.db2.gz UXWOTRQJZFGRFI-UHFFFAOYSA-N -1 3 247.258 0.664 20 0 BCADHM CC[C@@H](NC(=O)c1c[n-]nn1)[C@@H]1CCCCO1 ZINC000655344831 409918091 /nfs/dbraw/zinc/91/80/91/409918091.db2.gz NVVXJCBAMWZAOT-SCZZXKLOSA-N -1 3 238.291 0.882 20 0 BCADHM CC[C@@H](NC(=O)c1cnn[n-]1)[C@@H]1CCCCO1 ZINC000655344831 409918093 /nfs/dbraw/zinc/91/80/93/409918093.db2.gz NVVXJCBAMWZAOT-SCZZXKLOSA-N -1 3 238.291 0.882 20 0 BCADHM CC[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CCCCO1 ZINC000655344831 409918096 /nfs/dbraw/zinc/91/80/96/409918096.db2.gz NVVXJCBAMWZAOT-SCZZXKLOSA-N -1 3 238.291 0.882 20 0 BCADHM CC(C)(C(=O)[O-])C(=O)NCCN1CCCCC1 ZINC000215118316 409877950 /nfs/dbraw/zinc/87/79/50/409877950.db2.gz LBBOMHPGSYPUFV-UHFFFAOYSA-N -1 3 242.319 0.699 20 0 BCADHM CO[C@H]1C[C@@H](NC(=O)c2c[n-]nn2)C12CCC2 ZINC000655318203 409890643 /nfs/dbraw/zinc/89/06/43/409890643.db2.gz BTEYFWBUGITRHG-BDAKNGLRSA-N -1 3 236.275 0.492 20 0 BCADHM CO[C@H]1C[C@@H](NC(=O)c2cnn[n-]2)C12CCC2 ZINC000655318203 409890647 /nfs/dbraw/zinc/89/06/47/409890647.db2.gz BTEYFWBUGITRHG-BDAKNGLRSA-N -1 3 236.275 0.492 20 0 BCADHM CO[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C12CCC2 ZINC000655318203 409890652 /nfs/dbraw/zinc/89/06/52/409890652.db2.gz BTEYFWBUGITRHG-BDAKNGLRSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@H](CO)CCF ZINC000655407642 410211869 /nfs/dbraw/zinc/21/18/69/410211869.db2.gz YVRYUODXUFHPFF-VIFPVBQESA-N -1 3 242.250 0.166 20 0 BCADHM C[C@@H]1CN(C(=O)Cc2cncc([O-])c2)C[C@H]1O ZINC000655393796 410198373 /nfs/dbraw/zinc/19/83/73/410198373.db2.gz WPXILKMKIJYURZ-LDYMZIIASA-N -1 3 236.271 0.169 20 0 BCADHM CCn1cnnc1NC(=O)Cc1cncc([O-])c1 ZINC000655398676 410199200 /nfs/dbraw/zinc/19/92/00/410199200.db2.gz AABAKLGEDKKYET-UHFFFAOYSA-N -1 3 247.258 0.580 20 0 BCADHM CC(C)CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000082382164 166972400 /nfs/dbraw/zinc/97/24/00/166972400.db2.gz TXDQGABVALFIPW-VIFPVBQESA-N -1 3 201.266 0.818 20 0 BCADHM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000122589730 167393767 /nfs/dbraw/zinc/39/37/67/167393767.db2.gz JUVRSXWOKBGYCF-MRVPVSSYSA-N -1 3 247.320 0.095 20 0 BCADHM CC(C)[C@@H](O)C(=O)[N-]c1nncn1C1CC1 ZINC000285689972 167443156 /nfs/dbraw/zinc/44/31/56/167443156.db2.gz GWFANHNNNJENKN-MRVPVSSYSA-N -1 3 224.264 0.568 20 0 BCADHM CC(C)N(C)CC(=O)N(CC(=O)[O-])CC1CC1 ZINC000653325245 411136954 /nfs/dbraw/zinc/13/69/54/411136954.db2.gz RUMPWZWBNPNBPN-UHFFFAOYSA-N -1 3 242.319 0.650 20 0 BCADHM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)C)c1[O-] ZINC000665551075 411116787 /nfs/dbraw/zinc/11/67/87/411116787.db2.gz DUCVZTRKXDESON-LURJTMIESA-N -1 3 226.280 0.104 20 0 BCADHM O=C(Nc1ncccc1[O-])C1=COCCO1 ZINC000048389958 411194163 /nfs/dbraw/zinc/19/41/63/411194163.db2.gz PQCZHCZLAKKNOQ-UHFFFAOYSA-N -1 3 222.200 0.036 20 0 BCADHM CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656231799 411215345 /nfs/dbraw/zinc/21/53/45/411215345.db2.gz OYDSPMKUTMXDDO-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM CCN(C(=O)CN(C)C(C)C)[C@H](C)C(=O)[O-] ZINC000659771607 411223836 /nfs/dbraw/zinc/22/38/36/411223836.db2.gz MRKZIWKYVZPMPN-SECBINFHSA-N -1 3 230.308 0.648 20 0 BCADHM CC1(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CC1 ZINC000328954968 167866095 /nfs/dbraw/zinc/86/60/95/167866095.db2.gz OQLJDSPQNMGDLK-ZETCQYMHSA-N -1 3 237.259 0.389 20 0 BCADHM C[C@@H](C(=O)[O-])C(=O)N(C)CCN1CCCCC1 ZINC000653335768 411329578 /nfs/dbraw/zinc/32/95/78/411329578.db2.gz WOOIOOZRGXWULN-SNVBAGLBSA-N -1 3 242.319 0.651 20 0 BCADHM CC(C)(NCc1cn(C2CCC2)nn1)C(=O)[O-] ZINC000656572315 411304273 /nfs/dbraw/zinc/30/42/73/411304273.db2.gz HBCLUMTZTHGEIB-UHFFFAOYSA-N -1 3 238.291 0.956 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)CC2CC2)CCC1 ZINC000446932209 411308520 /nfs/dbraw/zinc/30/85/20/411308520.db2.gz HIDUWPYLLCLJKF-UHFFFAOYSA-N -1 3 247.316 0.412 20 0 BCADHM O=C(CNCc1cc([O-])cc(F)c1)NC1CC1 ZINC000223088558 411322140 /nfs/dbraw/zinc/32/21/40/411322140.db2.gz SDVGMWOLWPISBH-UHFFFAOYSA-N -1 3 238.262 0.900 20 0 BCADHM O=S(=O)([N-]C1CC(CO)C1)c1ccccn1 ZINC000660146044 411260801 /nfs/dbraw/zinc/26/08/01/411260801.db2.gz LEFVPYMHZCNWSF-UHFFFAOYSA-N -1 3 242.300 0.131 20 0 BCADHM C[C@H](C(=O)[O-])N1CCO[C@](C)(C2CC2)C1 ZINC000656758476 411353068 /nfs/dbraw/zinc/35/30/68/411353068.db2.gz ZQDGPIOFFYWZLV-KCJUWKMLSA-N -1 3 213.277 0.960 20 0 BCADHM C[C@@H](CCO)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000652960125 411369287 /nfs/dbraw/zinc/36/92/87/411369287.db2.gz UIUGYCYXLXYDSX-QMMMGPOBSA-N -1 3 239.271 0.941 20 0 BCADHM C[C@@H]1[C@H](O)CCN1C(=O)c1cccc([O-])c1 ZINC000654162458 411344652 /nfs/dbraw/zinc/34/46/52/411344652.db2.gz KCZQNLKSMSRVOF-LDYMZIIASA-N -1 3 221.256 0.988 20 0 BCADHM CC1(CNC(=O)c2c([O-])cccc2O)COC1 ZINC000092121842 168036240 /nfs/dbraw/zinc/03/62/40/168036240.db2.gz YSRSBGYDPUFNNV-UHFFFAOYSA-N -1 3 237.255 0.864 20 0 BCADHM CC1(C[N-]S(=O)(=O)c2ccco2)OCCO1 ZINC000188800752 168043924 /nfs/dbraw/zinc/04/39/24/168043924.db2.gz DZFKLACPXNNKRJ-UHFFFAOYSA-N -1 3 247.272 0.321 20 0 BCADHM CC1(C[N-]S(=O)(=O)c2ccco2)COC1 ZINC000188686643 168044081 /nfs/dbraw/zinc/04/40/81/168044081.db2.gz QURXNQMOWMRFCM-UHFFFAOYSA-N -1 3 231.273 0.594 20 0 BCADHM CC1=CCCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000328612900 168094128 /nfs/dbraw/zinc/09/41/28/168094128.db2.gz PXBXMWYJLPGRHZ-QMMMGPOBSA-N -1 3 237.259 0.808 20 0 BCADHM O=C([O-])[C@@H]1CN(C[C@@H]2C[C@H]3C[C@H]3C2)CCO1 ZINC000662199647 411375923 /nfs/dbraw/zinc/37/59/23/411375923.db2.gz ALFOBFZLOJUIJF-VLEAKVRGSA-N -1 3 225.288 0.818 20 0 BCADHM CCC(C)(C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000266360653 168297417 /nfs/dbraw/zinc/29/74/17/168297417.db2.gz YSLLFOOPZJNWTQ-UHFFFAOYSA-N -1 3 240.263 0.388 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c1 ZINC000657053683 411397196 /nfs/dbraw/zinc/39/71/96/411397196.db2.gz RTIDDNSANHIWOU-WPRPVWTQSA-N -1 3 241.316 0.641 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1ccco1)C1(CO)CC1 ZINC000657103571 411406774 /nfs/dbraw/zinc/40/67/74/411406774.db2.gz UITOJJMNFLMJTD-MRVPVSSYSA-N -1 3 245.300 0.719 20 0 BCADHM CCn1c(=O)[n-]nc1SC[C@@H](COC)OC ZINC000657234864 411423649 /nfs/dbraw/zinc/42/36/49/411423649.db2.gz UZOMIXOVWCAWTB-SSDOTTSWSA-N -1 3 247.320 0.757 20 0 BCADHM CCn1c(=O)[n-]nc1SC[C@H](COC)OC ZINC000657234865 411423958 /nfs/dbraw/zinc/42/39/58/411423958.db2.gz UZOMIXOVWCAWTB-ZETCQYMHSA-N -1 3 247.320 0.757 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C2(C)CCC2)c1 ZINC000269963753 411426516 /nfs/dbraw/zinc/42/65/16/411426516.db2.gz JNKSMKWIBYUTAN-UHFFFAOYSA-N -1 3 229.305 0.641 20 0 BCADHM CCS(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000306157695 411435627 /nfs/dbraw/zinc/43/56/27/411435627.db2.gz DSXCZBLGKUCVIO-UHFFFAOYSA-N -1 3 200.263 0.692 20 0 BCADHM CCc1nc(S(=O)(=O)[N-]C)cn1CC1CC1 ZINC000659881601 411489380 /nfs/dbraw/zinc/48/93/80/411489380.db2.gz LQOGGXPNQWDUEF-UHFFFAOYSA-N -1 3 243.332 0.764 20 0 BCADHM C[C@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000655561296 411510636 /nfs/dbraw/zinc/51/06/36/411510636.db2.gz YXWSVXUAIIATJX-BBBLOLIVSA-N -1 3 242.319 0.696 20 0 BCADHM CO[C@](C)(CO)CNC(=O)c1cccc([O-])c1 ZINC000655204134 411514650 /nfs/dbraw/zinc/51/46/50/411514650.db2.gz HFSHLAARAIJELE-LBPRGKRZSA-N -1 3 239.271 0.519 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655562085 411515763 /nfs/dbraw/zinc/51/57/63/411515763.db2.gz RPEDJKGYDGVWST-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@]2(C)CC2(C)C)c1 ZINC000660047565 411530823 /nfs/dbraw/zinc/53/08/23/411530823.db2.gz DEXPVMJXAUVZFQ-JTQLQIEISA-N -1 3 243.332 0.887 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CC2=CCCC2)n1 ZINC000660039162 411531111 /nfs/dbraw/zinc/53/11/11/411531111.db2.gz FNZODZQELNLHNL-UHFFFAOYSA-N -1 3 241.316 0.809 20 0 BCADHM CCNC(=O)CN(C)C(=O)c1cccc([O-])c1 ZINC000049716962 170053971 /nfs/dbraw/zinc/05/39/71/170053971.db2.gz YFOGCTNXBULYHV-UHFFFAOYSA-N -1 3 236.271 0.600 20 0 BCADHM CCNC(=O)NCc1cnc(C)[n-]c1=O ZINC000337777418 170080854 /nfs/dbraw/zinc/08/08/54/170080854.db2.gz QWWNJXSMBFXWLP-UHFFFAOYSA-N -1 3 210.237 0.310 20 0 BCADHM CCNC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000337838464 170081317 /nfs/dbraw/zinc/08/13/17/170081317.db2.gz UVCUSNFMVQGYIN-UHFFFAOYSA-N -1 3 237.185 0.643 20 0 BCADHM CCNC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000337838464 170081319 /nfs/dbraw/zinc/08/13/19/170081319.db2.gz UVCUSNFMVQGYIN-UHFFFAOYSA-N -1 3 237.185 0.643 20 0 BCADHM CCNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000337838464 170081322 /nfs/dbraw/zinc/08/13/22/170081322.db2.gz UVCUSNFMVQGYIN-UHFFFAOYSA-N -1 3 237.185 0.643 20 0 BCADHM CCOC(=O)C(C)(C)C(=O)[N-]C1=NCCS1 ZINC000134598637 170185716 /nfs/dbraw/zinc/18/57/16/170185716.db2.gz GTCVKWUPRMZPNZ-UHFFFAOYSA-N -1 3 244.316 0.795 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000013938842 170226413 /nfs/dbraw/zinc/22/64/13/170226413.db2.gz KLNCUDUZTFYSQY-UHFFFAOYSA-N -1 3 249.313 0.590 20 0 BCADHM CCOC(=O)NCCC(=O)[N-]C1=NCCS1 ZINC000042348534 170241869 /nfs/dbraw/zinc/24/18/69/170241869.db2.gz FAKSAZMLGWBIHN-UHFFFAOYSA-N -1 3 245.304 0.342 20 0 BCADHM CCOCC(C)(C)CNC(=O)c1c[n-]nn1 ZINC000290031820 170351594 /nfs/dbraw/zinc/35/15/94/170351594.db2.gz GXQJEEJJLXUTBV-UHFFFAOYSA-N -1 3 226.280 0.597 20 0 BCADHM CCOCC(C)(C)CNC(=O)c1cnn[n-]1 ZINC000290031820 170351596 /nfs/dbraw/zinc/35/15/96/170351596.db2.gz GXQJEEJJLXUTBV-UHFFFAOYSA-N -1 3 226.280 0.597 20 0 BCADHM CCOCC(C)(C)CNC(=O)c1cn[n-]n1 ZINC000290031820 170351597 /nfs/dbraw/zinc/35/15/97/170351597.db2.gz GXQJEEJJLXUTBV-UHFFFAOYSA-N -1 3 226.280 0.597 20 0 BCADHM CCOCCC(=O)Nc1nnc(SC)[n-]1 ZINC000264019437 170364087 /nfs/dbraw/zinc/36/40/87/170364087.db2.gz OHEPINGLWMBVNG-UHFFFAOYSA-N -1 3 230.293 0.892 20 0 BCADHM CCOCCC(=O)Nc1nc(SC)n[n-]1 ZINC000264019437 170364088 /nfs/dbraw/zinc/36/40/88/170364088.db2.gz OHEPINGLWMBVNG-UHFFFAOYSA-N -1 3 230.293 0.892 20 0 BCADHM CCOCCC(=O)Nc1n[n-]c(SC)n1 ZINC000264019437 170364089 /nfs/dbraw/zinc/36/40/89/170364089.db2.gz OHEPINGLWMBVNG-UHFFFAOYSA-N -1 3 230.293 0.892 20 0 BCADHM Cc1cc([N-]C(=O)c2ccc(C(N)=O)o2)no1 ZINC000437952347 411636619 /nfs/dbraw/zinc/63/66/19/411636619.db2.gz YHTDNSKTCALIAH-UHFFFAOYSA-N -1 3 235.199 0.927 20 0 BCADHM Cc1cc(NC(=O)c2nnc[n-]2)nn1C(C)C ZINC000422072459 411640748 /nfs/dbraw/zinc/64/07/48/411640748.db2.gz FGPQQDKIMXMDHT-UHFFFAOYSA-N -1 3 234.263 1.143 20 0 BCADHM Cc1cc(NC(=O)c2nc[n-]n2)nn1C(C)C ZINC000422072459 411640754 /nfs/dbraw/zinc/64/07/54/411640754.db2.gz FGPQQDKIMXMDHT-UHFFFAOYSA-N -1 3 234.263 1.143 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2C[C@H](O)C2)n1 ZINC000657808702 411601277 /nfs/dbraw/zinc/60/12/77/411601277.db2.gz AVLFJXQMGZQWCQ-KYZUINATSA-N -1 3 208.261 0.709 20 0 BCADHM COCCNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660745223 411620637 /nfs/dbraw/zinc/62/06/37/411620637.db2.gz KSEFNRDHNLSSAE-UHFFFAOYSA-N -1 3 225.292 0.962 20 0 BCADHM O=C([N-]c1nnc(C2CC2)s1)c1nc[nH]n1 ZINC000572560620 411652274 /nfs/dbraw/zinc/65/22/74/411652274.db2.gz GKMFXVHTXHYMMN-UHFFFAOYSA-N -1 3 236.260 0.786 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)C[C@H]1CCCN1C ZINC000660842239 411654496 /nfs/dbraw/zinc/65/44/96/411654496.db2.gz MKTYROCXERXOQQ-MRVPVSSYSA-N -1 3 226.280 0.301 20 0 BCADHM COC[C@](C)(O)C[N-]c1nnc(C(F)F)o1 ZINC000390765717 411654725 /nfs/dbraw/zinc/65/47/25/411654725.db2.gz QIICMBXSBHFZAI-MRVPVSSYSA-N -1 3 237.206 0.817 20 0 BCADHM COCC[C@H](C)N(C)Cc1n[n-]c(=O)o1 ZINC000660848105 411656130 /nfs/dbraw/zinc/65/61/30/411656130.db2.gz MHEDDEYHBVZQAH-ZETCQYMHSA-N -1 3 215.253 0.632 20 0 BCADHM COc1cc(C(=O)[N-]c2nn(C)cc2C)on1 ZINC000620923560 411682396 /nfs/dbraw/zinc/68/23/96/411682396.db2.gz QMJYJGGWOUMTBA-UHFFFAOYSA-N -1 3 236.231 0.977 20 0 BCADHM CCOC(=O)c1cc(NC(=O)c2c[nH]cn2)n[n-]1 ZINC000542834454 411685800 /nfs/dbraw/zinc/68/58/00/411685800.db2.gz LMEUQYXEPDJTMN-UHFFFAOYSA-N -1 3 249.230 0.562 20 0 BCADHM CCOC(=O)c1cc(NC(=O)c2c[nH]cn2)[n-]n1 ZINC000542834454 411685804 /nfs/dbraw/zinc/68/58/04/411685804.db2.gz LMEUQYXEPDJTMN-UHFFFAOYSA-N -1 3 249.230 0.562 20 0 BCADHM [O-]c1cccnc1CNc1nccn2cnnc12 ZINC000359898582 411697182 /nfs/dbraw/zinc/69/71/82/411697182.db2.gz KPDVFDXPPRDMBM-UHFFFAOYSA-N -1 3 242.242 0.837 20 0 BCADHM Cc1conc1[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000648391218 411746687 /nfs/dbraw/zinc/74/66/87/411746687.db2.gz VZMCRYWIZUJLCZ-UHFFFAOYSA-N -1 3 247.258 1.552 20 0 BCADHM CC[C@H](C)n1nc(NC(=O)c2cnn[n-]2)cc1C ZINC000330697634 411748034 /nfs/dbraw/zinc/74/80/34/411748034.db2.gz VQJOEWHGZXUJKI-ZETCQYMHSA-N -1 3 248.290 1.533 20 0 BCADHM CC[C@H](C)n1nc(NC(=O)c2c[n-]nn2)cc1C ZINC000330697634 411748037 /nfs/dbraw/zinc/74/80/37/411748037.db2.gz VQJOEWHGZXUJKI-ZETCQYMHSA-N -1 3 248.290 1.533 20 0 BCADHM CC[C@H](C)n1nc(NC(=O)c2cn[n-]n2)cc1C ZINC000330697634 411748039 /nfs/dbraw/zinc/74/80/39/411748039.db2.gz VQJOEWHGZXUJKI-ZETCQYMHSA-N -1 3 248.290 1.533 20 0 BCADHM Cn1[n-]c([C@H]2CCCN2c2cnccn2)nc1=N ZINC000663964351 411792604 /nfs/dbraw/zinc/79/26/04/411792604.db2.gz ZWSZUBBGBATDHI-MRVPVSSYSA-N -1 3 245.290 0.359 20 0 BCADHM COc1ccnc(NCCc2c(C)[n-][nH]c2=O)n1 ZINC000524372478 411762467 /nfs/dbraw/zinc/76/24/67/411762467.db2.gz VNJSMYSEVWAWEI-QMMMGPOBSA-N -1 3 249.274 0.409 20 0 BCADHM COc1ccnc(NCCCc2c[n-][nH]c2=O)n1 ZINC000631360708 411762868 /nfs/dbraw/zinc/76/28/68/411762868.db2.gz GTPQSOHERLFUHB-MRVPVSSYSA-N -1 3 249.274 0.409 20 0 BCADHM Cc1ncc(Cl)c(C(=O)[N-]c2nc[nH]n2)n1 ZINC000525369787 411784940 /nfs/dbraw/zinc/78/49/40/411784940.db2.gz IVGCWDWZHVRSHR-UHFFFAOYSA-N -1 3 238.638 0.809 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1ccc(C(C)=O)o1 ZINC000356357865 411816085 /nfs/dbraw/zinc/81/60/85/411816085.db2.gz WBJZTNOXDKVSHM-UHFFFAOYSA-N -1 3 248.242 1.346 20 0 BCADHM Cn1c([N-]C(=O)c2ccon2)nnc1C1CC1 ZINC000617289164 411829452 /nfs/dbraw/zinc/82/94/52/411829452.db2.gz DRRCHIFBLYCQTN-UHFFFAOYSA-N -1 3 233.231 0.933 20 0 BCADHM Cn1cc(C[N-]c2nnc(C(F)(F)F)o2)cn1 ZINC000428346288 411835320 /nfs/dbraw/zinc/83/53/20/411835320.db2.gz FDMSXDLMYONCAA-UHFFFAOYSA-N -1 3 247.180 1.434 20 0 BCADHM Cn1cc(C[N-]c2nnc(-c3ccco3)o2)nn1 ZINC000347817997 411836096 /nfs/dbraw/zinc/83/60/96/411836096.db2.gz TVOOHAXPSPHRLW-UHFFFAOYSA-N -1 3 246.230 1.070 20 0 BCADHM CCCCCN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000336655539 411899541 /nfs/dbraw/zinc/89/95/41/411899541.db2.gz HNNQVUFDALBNSX-UHFFFAOYSA-N -1 3 220.280 0.911 20 0 BCADHM C[C@@H]1CC[C@@H](N=c2nc3[nH][n-]cc-3c(N)n2)C1 ZINC000443991467 411907684 /nfs/dbraw/zinc/90/76/84/411907684.db2.gz UVBWGSRMKGVOIV-RNFRBKRXSA-N -1 3 232.291 0.909 20 0 BCADHM CCC[C@H]1C[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000517266572 411915801 /nfs/dbraw/zinc/91/58/01/411915801.db2.gz HZUVMDJUVCODAK-POYBYMJQSA-N -1 3 232.291 0.909 20 0 BCADHM Nc1nc(=N[C@@H]2CC[C@@H](F)C2)nc2[nH][n-]cc1-2 ZINC000340973296 411923828 /nfs/dbraw/zinc/92/38/28/411923828.db2.gz QEIOUVSUINZHPP-PHDIDXHHSA-N -1 3 236.254 0.611 20 0 BCADHM C[C@H]1C[C@H]1CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000381649695 411932872 /nfs/dbraw/zinc/93/28/72/411932872.db2.gz RKBBCIVPEPMDPF-WDSKDSINSA-N -1 3 218.264 0.377 20 0 BCADHM Oc1[n-]c(N2CC[C@H]3C[C@H]3C2)nc2nncc1-2 ZINC000664526937 411978695 /nfs/dbraw/zinc/97/86/95/411978695.db2.gz XBFUHDMTDMMOCE-BQBZGAKWSA-N -1 3 231.259 0.905 20 0 BCADHM C[C@@H](O)C1(N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000664549432 411982962 /nfs/dbraw/zinc/98/29/62/411982962.db2.gz IHIYGRAQCBIGLY-ZCFIWIBFSA-N -1 3 219.248 0.052 20 0 BCADHM Nc1nc([C@H]2CCN(CC(F)F)C2)cc(=O)[n-]1 ZINC000630378840 411987950 /nfs/dbraw/zinc/98/79/50/411987950.db2.gz MQZRFEGETRGIRI-LURJTMIESA-N -1 3 244.245 0.819 20 0 BCADHM CC[C@@H](O)CCNC(=O)c1c([O-])cccc1O ZINC000092125283 170923701 /nfs/dbraw/zinc/92/37/01/170923701.db2.gz WKOUUJXFEKCCFN-MRVPVSSYSA-N -1 3 239.271 0.989 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000662169549 412017744 /nfs/dbraw/zinc/01/77/44/412017744.db2.gz ZXVCUVAOENCBPJ-VDTYLAMSSA-N -1 3 249.274 0.291 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000662169549 412017748 /nfs/dbraw/zinc/01/77/48/412017748.db2.gz ZXVCUVAOENCBPJ-VDTYLAMSSA-N -1 3 249.274 0.291 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000662169549 412017750 /nfs/dbraw/zinc/01/77/50/412017750.db2.gz ZXVCUVAOENCBPJ-VDTYLAMSSA-N -1 3 249.274 0.291 20 0 BCADHM CC[C@H]1CCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662201352 412024138 /nfs/dbraw/zinc/02/41/38/412024138.db2.gz IARJSHIZJPAAFD-VHSXEESVSA-N -1 3 240.303 0.546 20 0 BCADHM C[C@@H]1C[C@@H](C)N([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662202476 412024545 /nfs/dbraw/zinc/02/45/45/412024545.db2.gz BHDYFIGCEXSTNL-OPRDCNLKSA-N -1 3 240.303 0.402 20 0 BCADHM CC[C@H]1CCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662207483 412025609 /nfs/dbraw/zinc/02/56/09/412025609.db2.gz YGKFUHAJNNFLJH-UWVGGRQHSA-N -1 3 240.303 0.404 20 0 BCADHM CC[C@@H]1CCC[C@H](C)N1CC(=O)NCC(=O)[O-] ZINC000662228724 412032691 /nfs/dbraw/zinc/03/26/91/412032691.db2.gz CFBFZXPOZJACQF-VHSXEESVSA-N -1 3 242.319 0.840 20 0 BCADHM COC[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000220049011 412032750 /nfs/dbraw/zinc/03/27/50/412032750.db2.gz ZCUBFMZSRVSCFY-ZETCQYMHSA-N -1 3 225.244 0.863 20 0 BCADHM CC[C@@H]1CCN1C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000331937626 171022504 /nfs/dbraw/zinc/02/25/04/171022504.db2.gz FZHGLESKJFSJCX-SSDOTTSWSA-N -1 3 237.259 0.110 20 0 BCADHM CC[C@@H]1CC[C@@H](C(=O)Nc2nnc(OC)[n-]2)O1 ZINC000272457684 171032195 /nfs/dbraw/zinc/03/21/95/171032195.db2.gz KECBFKXVDZMEDD-RQJHMYQMSA-N -1 3 240.263 0.709 20 0 BCADHM CC[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(OC)n2)O1 ZINC000272457684 171032202 /nfs/dbraw/zinc/03/22/02/171032202.db2.gz KECBFKXVDZMEDD-RQJHMYQMSA-N -1 3 240.263 0.709 20 0 BCADHM CC[C@@H]1CC[C@@H](C(=O)Nc2nc(OC)n[n-]2)O1 ZINC000272457684 171032204 /nfs/dbraw/zinc/03/22/04/171032204.db2.gz KECBFKXVDZMEDD-RQJHMYQMSA-N -1 3 240.263 0.709 20 0 BCADHM CC[C@H](C)C(=O)Nc1nnc(SCCO)[n-]1 ZINC000120706015 171256412 /nfs/dbraw/zinc/25/64/12/171256412.db2.gz OTXVXNVYUUQHKC-LURJTMIESA-N -1 3 244.320 0.874 20 0 BCADHM CC[C@H](C)C(=O)Nc1nc(SCCO)n[n-]1 ZINC000120706015 171256414 /nfs/dbraw/zinc/25/64/14/171256414.db2.gz OTXVXNVYUUQHKC-LURJTMIESA-N -1 3 244.320 0.874 20 0 BCADHM CC[C@H](C)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000120706015 171256415 /nfs/dbraw/zinc/25/64/15/171256415.db2.gz OTXVXNVYUUQHKC-LURJTMIESA-N -1 3 244.320 0.874 20 0 BCADHM CC[C@H](C)CCC(=O)Nc1[n-]nnc1C(N)=O ZINC000297642065 171269296 /nfs/dbraw/zinc/26/92/96/171269296.db2.gz DKJAYILMLSQVTM-LURJTMIESA-N -1 3 239.279 0.668 20 0 BCADHM CC[C@H](C)CCC(=O)Nc1nn[n-]c1C(N)=O ZINC000297642065 171269297 /nfs/dbraw/zinc/26/92/97/171269297.db2.gz DKJAYILMLSQVTM-LURJTMIESA-N -1 3 239.279 0.668 20 0 BCADHM CC[C@H](C)CCC(=O)Nc1n[n-]nc1C(N)=O ZINC000297642065 171269298 /nfs/dbraw/zinc/26/92/98/171269298.db2.gz DKJAYILMLSQVTM-LURJTMIESA-N -1 3 239.279 0.668 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-]Cc1nc(C)no1 ZINC000331219936 171292404 /nfs/dbraw/zinc/29/24/04/171292404.db2.gz XYGHXNYCSKSERC-ZETCQYMHSA-N -1 3 247.320 0.844 20 0 BCADHM CC[C@H](C)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000336353921 171318783 /nfs/dbraw/zinc/31/87/83/171318783.db2.gz XIUKZVTYAGLEEF-YUMQZZPRSA-N -1 3 211.265 0.021 20 0 BCADHM CC[C@H](C)[C@@H](C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000111579979 171361733 /nfs/dbraw/zinc/36/17/33/171361733.db2.gz KMJMUCZHGJXUBC-JGVFFNPUSA-N -1 3 241.291 0.089 20 0 BCADHM CC[C@H](C)[C@H](CNC(=O)c1c[n-]nn1)OC ZINC000294275149 171392018 /nfs/dbraw/zinc/39/20/18/171392018.db2.gz SEIFPNMHENTAIR-CBAPKCEASA-N -1 3 226.280 0.596 20 0 BCADHM CC[C@H](C)[C@H](CNC(=O)c1cnn[n-]1)OC ZINC000294275149 171392020 /nfs/dbraw/zinc/39/20/20/171392020.db2.gz SEIFPNMHENTAIR-CBAPKCEASA-N -1 3 226.280 0.596 20 0 BCADHM CC[C@H](C)[C@H](CNC(=O)c1cn[n-]n1)OC ZINC000294275149 171392022 /nfs/dbraw/zinc/39/20/22/171392022.db2.gz SEIFPNMHENTAIR-CBAPKCEASA-N -1 3 226.280 0.596 20 0 BCADHM Cn1nccc1C[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000329509244 412197003 /nfs/dbraw/zinc/19/70/03/412197003.db2.gz XDYCHKGWAPAMRF-VIFPVBQESA-N -1 3 249.274 1.267 20 0 BCADHM C[C@H]1CCc2onc(C(=O)[N-]c3nc[nH]n3)c2C1 ZINC000567211222 412264113 /nfs/dbraw/zinc/26/41/13/412264113.db2.gz QVIJVXIQBCDRKM-LURJTMIESA-N -1 3 247.258 1.170 20 0 BCADHM CC[C@H]1CCCCCN1CC(=O)NCC(=O)[O-] ZINC000358429203 171605055 /nfs/dbraw/zinc/60/50/55/171605055.db2.gz POFBATJLPAMGSN-JTQLQIEISA-N -1 3 242.319 0.842 20 0 BCADHM Cc1cc(C(=O)[N-]c2nncn2C2CC2)on1 ZINC000329125485 412305141 /nfs/dbraw/zinc/30/51/41/412305141.db2.gz SZGFNUYMDYENLH-UHFFFAOYSA-N -1 3 233.231 1.162 20 0 BCADHM CCCCC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662754533 412291803 /nfs/dbraw/zinc/29/18/03/412291803.db2.gz QCRSRBBSFARKPP-UHFFFAOYSA-N -1 3 238.291 0.447 20 0 BCADHM CCCCC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662754533 412291806 /nfs/dbraw/zinc/29/18/06/412291806.db2.gz QCRSRBBSFARKPP-UHFFFAOYSA-N -1 3 238.291 0.447 20 0 BCADHM O=C(Nc1cc(Cl)ccc1[O-])C1(O)CNC1 ZINC000662783863 412301656 /nfs/dbraw/zinc/30/16/56/412301656.db2.gz OFNULHRSNQTTTG-UHFFFAOYSA-N -1 3 242.662 0.318 20 0 BCADHM C[C@H](CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)N(C)C ZINC000663102860 412383756 /nfs/dbraw/zinc/38/37/56/412383756.db2.gz SZACDQAPNXCJCK-PELKAZGASA-N -1 3 242.319 0.554 20 0 BCADHM C[C@@H](CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)N(C)C ZINC000663102866 412383913 /nfs/dbraw/zinc/38/39/13/412383913.db2.gz SZACDQAPNXCJCK-UFBFGSQYSA-N -1 3 242.319 0.554 20 0 BCADHM CCc1ccc(C(=O)NCCO)c([O-])c1 ZINC000188426913 171785500 /nfs/dbraw/zinc/78/55/00/171785500.db2.gz NREBFRSWVAWTTK-UHFFFAOYSA-N -1 3 209.245 0.677 20 0 BCADHM CCc1nn(C)c(Cl)c1C(=O)[N-]OC ZINC000159076632 172037799 /nfs/dbraw/zinc/03/77/99/172037799.db2.gz WZWFAVRUFKNQAR-UHFFFAOYSA-N -1 3 217.656 0.927 20 0 BCADHM CCc1nn(C)cc1N=c1ncnc2[nH][n-]cc1-2 ZINC000358461486 172041255 /nfs/dbraw/zinc/04/12/55/172041255.db2.gz GMOJQQLJLCVVOL-UHFFFAOYSA-N -1 3 243.274 0.766 20 0 BCADHM CCn1cnnc1[N-]C(=O)COCCCOC ZINC000285903219 172238024 /nfs/dbraw/zinc/23/80/24/172238024.db2.gz SAIYDYFHZKOVCK-UHFFFAOYSA-N -1 3 242.279 0.290 20 0 BCADHM CCn1cnnc1[N-]C(=O)C(C)(C)OC(C)=O ZINC000285646731 172238197 /nfs/dbraw/zinc/23/81/97/172238197.db2.gz DNRCUKJNBJMKMN-UHFFFAOYSA-N -1 3 240.263 0.578 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@]1(C)CCCO1 ZINC000285754052 172238246 /nfs/dbraw/zinc/23/82/46/172238246.db2.gz KCILTJTYENQPAQ-SNVBAGLBSA-N -1 3 224.264 0.806 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1cnsn1 ZINC000285749419 172239657 /nfs/dbraw/zinc/23/96/57/172239657.db2.gz JVLSZDATRIXAMJ-UHFFFAOYSA-N -1 3 224.249 0.402 20 0 BCADHM CN(C(=O)CN1CCC[C@H]1CC(=O)[O-])C1CC1 ZINC000049306442 172308527 /nfs/dbraw/zinc/30/85/27/172308527.db2.gz YEKJESLLWMQNEW-JTQLQIEISA-N -1 3 240.303 0.546 20 0 BCADHM CN(C(=O)CN1CC[C@H](C(=O)[O-])C1)C1CC1 ZINC000062133333 172309302 /nfs/dbraw/zinc/30/93/02/172309302.db2.gz RWSSLMTUDIGVQJ-QMMMGPOBSA-N -1 3 226.276 0.014 20 0 BCADHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@H]1CCOC1 ZINC000106839644 172341369 /nfs/dbraw/zinc/34/13/69/172341369.db2.gz XDAPUSKUCJQBEA-VIFPVBQESA-N -1 3 246.270 0.819 20 0 BCADHM CN(C)C(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000054299828 172366692 /nfs/dbraw/zinc/36/66/92/172366692.db2.gz CKGYMIMQCBMWEA-SECBINFHSA-N -1 3 228.292 0.261 20 0 BCADHM CN(Cc1cc[nH]n1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000354602776 172845342 /nfs/dbraw/zinc/84/53/42/172845342.db2.gz XMFWIETZYJORIE-UHFFFAOYSA-N -1 3 244.262 0.077 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]OCc1cccnc1 ZINC000155914422 173025964 /nfs/dbraw/zinc/02/59/64/173025964.db2.gz OZUUUJUFJTTYPY-LLVKDONJSA-N -1 3 235.287 0.724 20 0 BCADHM CN1CCC[C@H]1CNC(=O)c1cncc([O-])c1 ZINC000171866664 173056314 /nfs/dbraw/zinc/05/63/14/173056314.db2.gz YWGUEXBQTUYEKX-JTQLQIEISA-N -1 3 235.287 0.611 20 0 BCADHM CN1CCN(C(=O)c2cccc([O-])c2)CC1=O ZINC000084204568 173073588 /nfs/dbraw/zinc/07/35/88/173073588.db2.gz JDJOOQANJVPVGU-UHFFFAOYSA-N -1 3 234.255 0.306 20 0 BCADHM CNC(=O)C1CN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000274424723 173225317 /nfs/dbraw/zinc/22/53/17/173225317.db2.gz YVIMBZLIBWEZJL-UHFFFAOYSA-N -1 3 248.282 0.519 20 0 BCADHM CNC(=O)CN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000226714825 173265653 /nfs/dbraw/zinc/26/56/53/173265653.db2.gz UVTYZGBTAYZWMU-UHFFFAOYSA-N -1 3 236.271 0.519 20 0 BCADHM CNC(=O)CN(C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000279350018 173270198 /nfs/dbraw/zinc/27/01/98/173270198.db2.gz FKSQEUUAOWZELC-QMMMGPOBSA-N -1 3 238.291 0.229 20 0 BCADHM CNC(=O)[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000042350824 173302668 /nfs/dbraw/zinc/30/26/68/173302668.db2.gz JIBVMTUJGMFTIQ-QMMMGPOBSA-N -1 3 236.271 0.565 20 0 BCADHM CNC(=O)[C@H](CO)[N-]c1nc(C(C)C)ns1 ZINC000302156234 173304857 /nfs/dbraw/zinc/30/48/57/173304857.db2.gz NRLYDOXDNXLBAO-LURJTMIESA-N -1 3 244.320 0.180 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@H]1CC=CCC1 ZINC000297868280 173314976 /nfs/dbraw/zinc/31/49/76/173314976.db2.gz ZIBBBBBOHVYZKQ-ZETCQYMHSA-N -1 3 249.274 0.459 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@H]1CC=CCC1 ZINC000297868280 173314978 /nfs/dbraw/zinc/31/49/78/173314978.db2.gz ZIBBBBBOHVYZKQ-ZETCQYMHSA-N -1 3 249.274 0.459 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@H]1CC=CCC1 ZINC000297868280 173314980 /nfs/dbraw/zinc/31/49/80/173314980.db2.gz ZIBBBBBOHVYZKQ-ZETCQYMHSA-N -1 3 249.274 0.459 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@H](C)C(C)C ZINC000297681064 173315301 /nfs/dbraw/zinc/31/53/01/173315301.db2.gz HXQCFSDSEBLLIW-ZCFIWIBFSA-N -1 3 239.279 0.395 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@H](C)C(C)C ZINC000297681064 173315302 /nfs/dbraw/zinc/31/53/02/173315302.db2.gz HXQCFSDSEBLLIW-ZCFIWIBFSA-N -1 3 239.279 0.395 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@H](C)C(C)C ZINC000297681064 173315303 /nfs/dbraw/zinc/31/53/03/173315303.db2.gz HXQCFSDSEBLLIW-ZCFIWIBFSA-N -1 3 239.279 0.395 20 0 BCADHM COCC(C)(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000121923869 174082811 /nfs/dbraw/zinc/08/28/11/174082811.db2.gz JLCUJZMYVYFXIK-UHFFFAOYSA-N -1 3 233.293 0.113 20 0 BCADHM COCC1(O)CN(C(=O)c2ccccc2[O-])C1 ZINC000295534597 174113843 /nfs/dbraw/zinc/11/38/43/174113843.db2.gz KFIULJICHVWYHB-UHFFFAOYSA-N -1 3 237.255 0.226 20 0 BCADHM COCCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000171392469 174137879 /nfs/dbraw/zinc/13/78/79/174137879.db2.gz JOEAQJLAENIFPO-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM COCCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000171392469 174137880 /nfs/dbraw/zinc/13/78/80/174137880.db2.gz JOEAQJLAENIFPO-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM COCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000171392469 174137882 /nfs/dbraw/zinc/13/78/82/174137882.db2.gz JOEAQJLAENIFPO-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM COCCCO[N-]C(=O)c1cccnc1F ZINC000288017888 174256196 /nfs/dbraw/zinc/25/61/96/174256196.db2.gz CMDORXBRORFBJN-UHFFFAOYSA-N -1 3 228.223 0.919 20 0 BCADHM COCCC[C@H](C)C(=O)Nc1nnc(OC)[n-]1 ZINC000183008992 174263321 /nfs/dbraw/zinc/26/33/21/174263321.db2.gz RQXSPVSSOLPXLA-ZETCQYMHSA-N -1 3 242.279 0.815 20 0 BCADHM COCCC[C@H](C)C(=O)Nc1n[n-]c(OC)n1 ZINC000183008992 174263322 /nfs/dbraw/zinc/26/33/22/174263322.db2.gz RQXSPVSSOLPXLA-ZETCQYMHSA-N -1 3 242.279 0.815 20 0 BCADHM COCCC[C@H](C)C(=O)Nc1nc(OC)n[n-]1 ZINC000183008992 174263323 /nfs/dbraw/zinc/26/33/23/174263323.db2.gz RQXSPVSSOLPXLA-ZETCQYMHSA-N -1 3 242.279 0.815 20 0 BCADHM COCCSCCCOC([O-])=NC(N)=O ZINC000270100951 174375001 /nfs/dbraw/zinc/37/50/01/174375001.db2.gz FJXDEZJJHPKNLL-UHFFFAOYSA-N -1 3 236.293 0.561 20 0 BCADHM COCCSCCCOC(=O)N=C(N)[O-] ZINC000270100951 174375002 /nfs/dbraw/zinc/37/50/02/174375002.db2.gz FJXDEZJJHPKNLL-UHFFFAOYSA-N -1 3 236.293 0.561 20 0 BCADHM COCCSCCCOC(=O)[N-]C(N)=O ZINC000270100951 174375003 /nfs/dbraw/zinc/37/50/03/174375003.db2.gz FJXDEZJJHPKNLL-UHFFFAOYSA-N -1 3 236.293 0.561 20 0 BCADHM COc1ccc(C(=O)N(C)C[C@H](C)O)c([O-])c1 ZINC000051818059 175055090 /nfs/dbraw/zinc/05/50/90/175055090.db2.gz CLXNDBJMBMNUKV-QMMMGPOBSA-N -1 3 239.271 0.854 20 0 BCADHM COc1ccc(C(=O)NCCO)c([O-])c1 ZINC000035102226 175060135 /nfs/dbraw/zinc/06/01/35/175060135.db2.gz ZZQFBQATUZMXSU-UHFFFAOYSA-N -1 3 211.217 0.123 20 0 BCADHM COc1ccc([O-])c(C(=O)NCCCCO)c1 ZINC000193291709 175157901 /nfs/dbraw/zinc/15/79/01/175157901.db2.gz AQJNCQQKZWKJIK-UHFFFAOYSA-N -1 3 239.271 0.903 20 0 BCADHM COc1ccc([C@H](C)NCc2nc(=O)[n-][nH]2)cc1 ZINC000271652333 175189285 /nfs/dbraw/zinc/18/92/85/175189285.db2.gz JLBYIUFXPIQKSK-QMMMGPOBSA-N -1 3 248.286 0.957 20 0 BCADHM COc1cccc(C(=O)N[C@@H](C)CO)c1[O-] ZINC000035205535 175245404 /nfs/dbraw/zinc/24/54/04/175245404.db2.gz ADULVARQINJDQU-ZETCQYMHSA-N -1 3 225.244 0.511 20 0 BCADHM COc1cncc(C(=O)[N-]c2n[nH]c(C)n2)n1 ZINC000359627009 175384357 /nfs/dbraw/zinc/38/43/57/175384357.db2.gz BXUUAXHOYPOYHA-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM COc1nc(NC(=O)[C@H]2[C@H](C)C2(F)F)n[n-]1 ZINC000359709049 175388452 /nfs/dbraw/zinc/38/84/52/175388452.db2.gz BNMSBMFEQRVACH-IUYQGCFVSA-N -1 3 232.190 0.653 20 0 BCADHM COc1nnc(NC(=O)[C@H]2[C@H](C)C2(F)F)[n-]1 ZINC000359709049 175388454 /nfs/dbraw/zinc/38/84/54/175388454.db2.gz BNMSBMFEQRVACH-IUYQGCFVSA-N -1 3 232.190 0.653 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2[C@H](C)C2(F)F)n1 ZINC000359709049 175388456 /nfs/dbraw/zinc/38/84/56/175388456.db2.gz BNMSBMFEQRVACH-IUYQGCFVSA-N -1 3 232.190 0.653 20 0 BCADHM COc1nc(NC(=O)[C@]2(C)C[C@H]2F)n[n-]1 ZINC000331579765 175388589 /nfs/dbraw/zinc/38/85/89/175388589.db2.gz ZUJLZJMNWMEJAT-SPGJFGJESA-N -1 3 214.200 0.500 20 0 BCADHM COc1nnc(NC(=O)[C@]2(C)C[C@H]2F)[n-]1 ZINC000331579765 175388590 /nfs/dbraw/zinc/38/85/90/175388590.db2.gz ZUJLZJMNWMEJAT-SPGJFGJESA-N -1 3 214.200 0.500 20 0 BCADHM COc1n[n-]c(NC(=O)[C@]2(C)C[C@H]2F)n1 ZINC000331579765 175388591 /nfs/dbraw/zinc/38/85/91/175388591.db2.gz ZUJLZJMNWMEJAT-SPGJFGJESA-N -1 3 214.200 0.500 20 0 BCADHM COc1nc(NC(=O)[C@]2(C)C[C@@H]2F)n[n-]1 ZINC000331578827 175388721 /nfs/dbraw/zinc/38/87/21/175388721.db2.gz ZUJLZJMNWMEJAT-RNHFCUEFSA-N -1 3 214.200 0.500 20 0 BCADHM COc1nnc(NC(=O)[C@]2(C)C[C@@H]2F)[n-]1 ZINC000331578827 175388723 /nfs/dbraw/zinc/38/87/23/175388723.db2.gz ZUJLZJMNWMEJAT-RNHFCUEFSA-N -1 3 214.200 0.500 20 0 BCADHM COc1n[n-]c(NC(=O)[C@]2(C)C[C@@H]2F)n1 ZINC000331578827 175388725 /nfs/dbraw/zinc/38/87/25/175388725.db2.gz ZUJLZJMNWMEJAT-RNHFCUEFSA-N -1 3 214.200 0.500 20 0 BCADHM COc1nnc(NC(=O)[C@@H](C)n2cccn2)[n-]1 ZINC000126806373 175393322 /nfs/dbraw/zinc/39/33/22/175393322.db2.gz PVYYWAJUKBRDFX-ZCFIWIBFSA-N -1 3 236.235 0.210 20 0 BCADHM COc1nc(NC(=O)[C@@H](C)n2cccn2)n[n-]1 ZINC000126806373 175393323 /nfs/dbraw/zinc/39/33/23/175393323.db2.gz PVYYWAJUKBRDFX-ZCFIWIBFSA-N -1 3 236.235 0.210 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](C)n2cccn2)n1 ZINC000126806373 175393324 /nfs/dbraw/zinc/39/33/24/175393324.db2.gz PVYYWAJUKBRDFX-ZCFIWIBFSA-N -1 3 236.235 0.210 20 0 BCADHM COc1nnc(NC(=O)[C@@](C)(OC)C2CC2)[n-]1 ZINC000291752919 175393347 /nfs/dbraw/zinc/39/33/47/175393347.db2.gz URMSIRLUZVCBNJ-JTQLQIEISA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@@](C)(OC)C2CC2)n[n-]1 ZINC000291752919 175393348 /nfs/dbraw/zinc/39/33/48/175393348.db2.gz URMSIRLUZVCBNJ-JTQLQIEISA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@](C)(OC)C2CC2)n1 ZINC000291752919 175393349 /nfs/dbraw/zinc/39/33/49/175393349.db2.gz URMSIRLUZVCBNJ-JTQLQIEISA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)C2(C)CCC2)[n-]1 ZINC000272370946 175393412 /nfs/dbraw/zinc/39/34/12/175393412.db2.gz ASWLQQPQXGGYBZ-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1nc(NC(=O)C2(C)CCC2)n[n-]1 ZINC000272370946 175393414 /nfs/dbraw/zinc/39/34/14/175393414.db2.gz ASWLQQPQXGGYBZ-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1n[n-]c(NC(=O)C2(C)CCC2)n1 ZINC000272370946 175393415 /nfs/dbraw/zinc/39/34/15/175393415.db2.gz ASWLQQPQXGGYBZ-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1nnc(NC(=O)C2(OC)CCC2)[n-]1 ZINC000272787093 175394300 /nfs/dbraw/zinc/39/43/00/175394300.db2.gz JJSMVGNCEBMUNH-UHFFFAOYSA-N -1 3 226.236 0.321 20 0 BCADHM COc1nc(NC(=O)C2(OC)CCC2)n[n-]1 ZINC000272787093 175394302 /nfs/dbraw/zinc/39/43/02/175394302.db2.gz JJSMVGNCEBMUNH-UHFFFAOYSA-N -1 3 226.236 0.321 20 0 BCADHM COc1n[n-]c(NC(=O)C2(OC)CCC2)n1 ZINC000272787093 175394303 /nfs/dbraw/zinc/39/43/03/175394303.db2.gz JJSMVGNCEBMUNH-UHFFFAOYSA-N -1 3 226.236 0.321 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCC(C)(C)O2)[n-]1 ZINC000279652815 175394348 /nfs/dbraw/zinc/39/43/48/175394348.db2.gz BPOFHPUAVJDKOB-ZCFIWIBFSA-N -1 3 240.263 0.709 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCC(C)(C)O2)n[n-]1 ZINC000279652815 175394349 /nfs/dbraw/zinc/39/43/49/175394349.db2.gz BPOFHPUAVJDKOB-ZCFIWIBFSA-N -1 3 240.263 0.709 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCC(C)(C)O2)n1 ZINC000279652815 175394350 /nfs/dbraw/zinc/39/43/50/175394350.db2.gz BPOFHPUAVJDKOB-ZCFIWIBFSA-N -1 3 240.263 0.709 20 0 BCADHM COc1nnc(NC(=O)CC[C@@H]2CCCO2)[n-]1 ZINC000126838828 175394376 /nfs/dbraw/zinc/39/43/76/175394376.db2.gz ROQASUQWUORVFC-ZETCQYMHSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nc(NC(=O)CC[C@@H]2CCCO2)n[n-]1 ZINC000126838828 175394377 /nfs/dbraw/zinc/39/43/77/175394377.db2.gz ROQASUQWUORVFC-ZETCQYMHSA-N -1 3 240.263 0.711 20 0 BCADHM COc1n[n-]c(NC(=O)CC[C@@H]2CCCO2)n1 ZINC000126838828 175394378 /nfs/dbraw/zinc/39/43/78/175394378.db2.gz ROQASUQWUORVFC-ZETCQYMHSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nnc(NC(=O)CC[C@H]2CCCO2)[n-]1 ZINC000126839022 175394405 /nfs/dbraw/zinc/39/44/05/175394405.db2.gz ROQASUQWUORVFC-SSDOTTSWSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nc(NC(=O)CC[C@H]2CCCO2)n[n-]1 ZINC000126839022 175394406 /nfs/dbraw/zinc/39/44/06/175394406.db2.gz ROQASUQWUORVFC-SSDOTTSWSA-N -1 3 240.263 0.711 20 0 BCADHM COc1n[n-]c(NC(=O)CC[C@H]2CCCO2)n1 ZINC000126839022 175394408 /nfs/dbraw/zinc/39/44/08/175394408.db2.gz ROQASUQWUORVFC-SSDOTTSWSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nnc(NC(=O)CSC)[n-]1 ZINC000129492533 175394830 /nfs/dbraw/zinc/39/48/30/175394830.db2.gz XPCFBVXBYLDKJM-UHFFFAOYSA-N -1 3 202.239 0.115 20 0 BCADHM COc1nc(NC(=O)CSC)n[n-]1 ZINC000129492533 175394831 /nfs/dbraw/zinc/39/48/31/175394831.db2.gz XPCFBVXBYLDKJM-UHFFFAOYSA-N -1 3 202.239 0.115 20 0 BCADHM COc1n[n-]c(NC(=O)CSC)n1 ZINC000129492533 175394832 /nfs/dbraw/zinc/39/48/32/175394832.db2.gz XPCFBVXBYLDKJM-UHFFFAOYSA-N -1 3 202.239 0.115 20 0 BCADHM COc1nnc(NC(=O)C2CCCC2)[n-]1 ZINC000126800581 175395010 /nfs/dbraw/zinc/39/50/10/175395010.db2.gz YJFUOTPMUOZXLL-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1nc(NC(=O)C2CCCC2)n[n-]1 ZINC000126800581 175395012 /nfs/dbraw/zinc/39/50/12/175395012.db2.gz YJFUOTPMUOZXLL-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1n[n-]c(NC(=O)C2CCCC2)n1 ZINC000126800581 175395014 /nfs/dbraw/zinc/39/50/14/175395014.db2.gz YJFUOTPMUOZXLL-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1nnc(NC(=O)c2cnn(C)c2C)[n-]1 ZINC000126813636 175395612 /nfs/dbraw/zinc/39/56/12/175395612.db2.gz UEKVKOKTGUAWPA-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1nc(NC(=O)c2cnn(C)c2C)n[n-]1 ZINC000126813636 175395614 /nfs/dbraw/zinc/39/56/14/175395614.db2.gz UEKVKOKTGUAWPA-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1n[n-]c(NC(=O)c2cnn(C)c2C)n1 ZINC000126813636 175395616 /nfs/dbraw/zinc/39/56/16/175395616.db2.gz UEKVKOKTGUAWPA-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1nnc(NC(=O)c2csnc2C)[n-]1 ZINC000182331786 175395830 /nfs/dbraw/zinc/39/58/30/175395830.db2.gz FPWWVXCSILJVCU-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM COc1nc(NC(=O)c2csnc2C)n[n-]1 ZINC000182331786 175395831 /nfs/dbraw/zinc/39/58/31/175395831.db2.gz FPWWVXCSILJVCU-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM COc1n[n-]c(NC(=O)c2csnc2C)n1 ZINC000182331786 175395833 /nfs/dbraw/zinc/39/58/33/175395833.db2.gz FPWWVXCSILJVCU-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM C[C@@H]1CCC[C@@H](C)N1Cc1nc(=O)n(C)[n-]1 ZINC000336343600 176116799 /nfs/dbraw/zinc/11/67/99/176116799.db2.gz DVPWNYPUQMHXFG-RKDXNWHRSA-N -1 3 224.308 0.871 20 0 BCADHM C[C@@H]1CCN(S(=O)(=O)[N-]c2cnn(C)c2)C1 ZINC000408143089 176179349 /nfs/dbraw/zinc/17/93/49/176179349.db2.gz ZJECAXMWHKTMJZ-MRVPVSSYSA-N -1 3 244.320 0.419 20 0 BCADHM C[C@@H]1CCN(c2nc3[nH][n-]cc-3c(=N)n2)[C@@H]1C ZINC000354573864 176182275 /nfs/dbraw/zinc/18/22/75/176182275.db2.gz JJXCJVOQYLLHDS-RNFRBKRXSA-N -1 3 232.291 0.952 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccc(F)cc2[O-])CCN1 ZINC000189019107 176261245 /nfs/dbraw/zinc/26/12/45/176261245.db2.gz MACOPNFWKTXQLP-MRVPVSSYSA-N -1 3 238.262 0.965 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])CCN1 ZINC000083814274 176262628 /nfs/dbraw/zinc/26/26/28/176262628.db2.gz SHOCZVIUZXUWPS-SECBINFHSA-N -1 3 220.272 0.826 20 0 BCADHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000300884736 176344821 /nfs/dbraw/zinc/34/48/21/176344821.db2.gz SNNGHQCABHAPFJ-HTQZYQBOSA-N -1 3 245.304 0.113 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)Nc2ccncc2[O-])CCO1 ZINC000408119844 176357585 /nfs/dbraw/zinc/35/75/85/176357585.db2.gz QSQXUMPOSWYJOR-BDAKNGLRSA-N -1 3 236.271 0.963 20 0 BCADHM C[C@@H]1C[C@@H](CCNC(=O)c2c[n-]nn2)CCO1 ZINC000273233051 176366687 /nfs/dbraw/zinc/36/66/87/176366687.db2.gz VFLPTKWMLGJOCZ-BDAKNGLRSA-N -1 3 238.291 0.740 20 0 BCADHM C[C@@H]1C[C@@H](CCNC(=O)c2cnn[n-]2)CCO1 ZINC000273233051 176366688 /nfs/dbraw/zinc/36/66/88/176366688.db2.gz VFLPTKWMLGJOCZ-BDAKNGLRSA-N -1 3 238.291 0.740 20 0 BCADHM C[C@@H]1C[C@@H](CCNC(=O)c2cn[n-]n2)CCO1 ZINC000273233051 176366689 /nfs/dbraw/zinc/36/66/89/176366689.db2.gz VFLPTKWMLGJOCZ-BDAKNGLRSA-N -1 3 238.291 0.740 20 0 BCADHM C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)[O-] ZINC000332419249 176371260 /nfs/dbraw/zinc/37/12/60/176371260.db2.gz RINPFKBTJYQRPO-RKDXNWHRSA-N -1 3 226.276 0.156 20 0 BCADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000263946686 176398117 /nfs/dbraw/zinc/39/81/17/176398117.db2.gz USIOKFHRMNMESH-HTQZYQBOSA-N -1 3 229.305 0.354 20 0 BCADHM C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)[O-] ZINC000336743143 177099313 /nfs/dbraw/zinc/09/93/13/177099313.db2.gz OSARYLWCLWNQRL-DTWKUNHWSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@@H]1[C@@H](C)CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000336397138 177103388 /nfs/dbraw/zinc/10/33/88/177103388.db2.gz BIMAPCVIISCKNU-DTWKUNHWSA-N -1 3 224.308 0.729 20 0 BCADHM C[C@H]1CCCN1c1nc2[nH][n-]cc-2c(=N)n1 ZINC000336685966 177113108 /nfs/dbraw/zinc/11/31/08/177113108.db2.gz UKDPYBMIIIBXAX-LURJTMIESA-N -1 3 218.264 0.706 20 0 BCADHM C[C@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000331854795 177162873 /nfs/dbraw/zinc/16/28/73/177162873.db2.gz PGEYWUKAURIXLC-VIFPVBQESA-N -1 3 232.287 0.864 20 0 BCADHM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000195174426 177173882 /nfs/dbraw/zinc/17/38/82/177173882.db2.gz SIXYUNDBLJIGRW-GZMMTYOYSA-N -1 3 248.282 0.647 20 0 BCADHM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H](C)N1 ZINC000070075939 177231672 /nfs/dbraw/zinc/23/16/72/177231672.db2.gz NOSHWMZTSDAFKQ-DTORHVGOSA-N -1 3 235.287 0.610 20 0 BCADHM C[C@@H](C(=O)[O-])N1C[C@H](C)OC(C)(C)C1 ZINC000045696745 177273853 /nfs/dbraw/zinc/27/38/53/177273853.db2.gz UREAYQOWACMATO-YUMQZZPRSA-N -1 3 201.266 0.959 20 0 BCADHM C[C@H](C(=O)[O-])N1C[C@H](C)OC(C)(C)C1 ZINC000250243686 177275018 /nfs/dbraw/zinc/27/50/18/177275018.db2.gz UREAYQOWACMATO-JGVFFNPUSA-N -1 3 201.266 0.959 20 0 BCADHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000300884738 177297378 /nfs/dbraw/zinc/29/73/78/177297378.db2.gz SNNGHQCABHAPFJ-JGVFFNPUSA-N -1 3 245.304 0.113 20 0 BCADHM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000277652829 177297486 /nfs/dbraw/zinc/29/74/86/177297486.db2.gz DTGIIDCGLIAGSZ-DTWKUNHWSA-N -1 3 245.300 0.983 20 0 BCADHM C[C@H]1C[C@@H](C(=O)Nc2ccncc2[O-])CCO1 ZINC000408119846 177307347 /nfs/dbraw/zinc/30/73/47/177307347.db2.gz QSQXUMPOSWYJOR-IUCAKERBSA-N -1 3 236.271 0.963 20 0 BCADHM CN(C)C(=O)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000492517243 226011440 /nfs/dbraw/zinc/01/14/40/226011440.db2.gz DWUGVIOTZJORNB-ONEGZZNKSA-N -1 3 249.270 0.005 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NCCCO ZINC000492366476 225984712 /nfs/dbraw/zinc/98/47/12/225984712.db2.gz UTUREKBIMHNETL-NSCUHMNNSA-N -1 3 222.244 0.299 20 0 BCADHM O=C(/C=C/c1cnccn1)[N-]O[C@@H]1CCOC1 ZINC000492501272 226008704 /nfs/dbraw/zinc/00/87/04/226008704.db2.gz JIPJTHZYKFKUAE-TXXBHVLJSA-N -1 3 235.243 0.327 20 0 BCADHM O=C(/C=C\c1cccc(F)c1)[N-]OCCO ZINC000492683236 226037544 /nfs/dbraw/zinc/03/75/44/226037544.db2.gz ROYGKMJDSLRNBI-PLNGDYQASA-N -1 3 225.219 0.879 20 0 BCADHM COCCCO[N-]C(=O)C=Cc1c[nH]cn1 ZINC000492830715 226062274 /nfs/dbraw/zinc/06/22/74/226062274.db2.gz AFOWVHRMSPPOMK-ARJAWSKDSA-N -1 3 225.248 0.507 20 0 BCADHM Cc1ncsc1/C=C/C(=O)[N-]OCCCO ZINC000493253455 226166300 /nfs/dbraw/zinc/16/63/00/226166300.db2.gz BMYKDIOAUWHQOF-ONEGZZNKSA-N -1 3 242.300 0.895 20 0 BCADHM COCCCO[N-]C(=O)CCCNC(=O)OC ZINC000495638568 226284053 /nfs/dbraw/zinc/28/40/53/226284053.db2.gz MGDQAMDOWJOUSP-UHFFFAOYSA-N -1 3 248.279 0.207 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)/C=C/C1CCCC1 ZINC000493563474 226243634 /nfs/dbraw/zinc/24/36/34/226243634.db2.gz IJYJFHKWPHAALQ-AATRIKPKSA-N -1 3 249.274 0.589 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)C=CC1CCCC1 ZINC000493563474 226243635 /nfs/dbraw/zinc/24/36/35/226243635.db2.gz IJYJFHKWPHAALQ-AATRIKPKSA-N -1 3 249.274 0.589 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)C=CC1CCCC1 ZINC000493563474 226243636 /nfs/dbraw/zinc/24/36/36/226243636.db2.gz IJYJFHKWPHAALQ-AATRIKPKSA-N -1 3 249.274 0.589 20 0 BCADHM O=C(/C=C/c1ncc[nH]1)[N-]OC1CCOCC1 ZINC000493745320 226252112 /nfs/dbraw/zinc/25/21/12/226252112.db2.gz KFHINVNJQUJJDZ-OWOJBTEDSA-N -1 3 237.259 0.650 20 0 BCADHM O=C(/C=C/c1cncs1)[N-]O[C@H]1CCOC1 ZINC000493756809 226252783 /nfs/dbraw/zinc/25/27/83/226252783.db2.gz PTQMYEJQMYUWCB-CMLYIYFCSA-N -1 3 240.284 0.993 20 0 BCADHM O=C([O-])C[C@H]1COCCN1CCC1CC1 ZINC000087507707 487665436 /nfs/dbraw/zinc/66/54/36/487665436.db2.gz CCKJYUWLILYRDO-JTQLQIEISA-N -1 3 213.277 0.962 20 0 BCADHM O=C([O-])C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000653472050 487678391 /nfs/dbraw/zinc/67/83/91/487678391.db2.gz DWFXPFHAUFNZLY-IUCAKERBSA-N -1 3 226.276 0.204 20 0 BCADHM C[C@H]1C[C@H](C)N1C(=O)C(=O)[N-]c1cnns1 ZINC000527188718 262829227 /nfs/dbraw/zinc/82/92/27/262829227.db2.gz ZJOKHAYYSAIORI-WDSKDSINSA-N -1 3 240.288 0.486 20 0 BCADHM O=C(N=c1cc2ccccn2[n-]1)N[C@H]1C[C@@H](O)C1 ZINC000653142088 487701945 /nfs/dbraw/zinc/70/19/45/487701945.db2.gz QWSYXWJXQAFRLA-WAAGHKOSSA-N -1 3 246.270 0.401 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)CC[C@@H]1CCCO1 ZINC000681077976 487715557 /nfs/dbraw/zinc/71/55/57/487715557.db2.gz YIHQIGQGWIPZGP-JTQLQIEISA-N -1 3 249.332 0.454 20 0 BCADHM C[C@@H](C[C@H]1CCOC1)NC(=O)c1c[n-]nn1 ZINC000675354118 487717444 /nfs/dbraw/zinc/71/74/44/487717444.db2.gz XIAWYWOMABSKDB-JGVFFNPUSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cnn[n-]1 ZINC000675354118 487717447 /nfs/dbraw/zinc/71/74/47/487717447.db2.gz XIAWYWOMABSKDB-JGVFFNPUSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cn[n-]n1 ZINC000675354118 487717452 /nfs/dbraw/zinc/71/74/52/487717452.db2.gz XIAWYWOMABSKDB-JGVFFNPUSA-N -1 3 224.264 0.350 20 0 BCADHM CS[C@@H](C)CCC(=O)[N-]c1nnnn1C ZINC000904195386 584850363 /nfs/dbraw/zinc/85/03/63/584850363.db2.gz LYWOZBYCLBMZDQ-LURJTMIESA-N -1 3 229.309 0.680 20 0 BCADHM C[C@H](CNC(=O)CCCNC(=O)[O-])N(C)C ZINC000736596263 585007114 /nfs/dbraw/zinc/00/71/14/585007114.db2.gz YEXQZMHPNVQTDR-MRVPVSSYSA-N -1 3 231.296 0.101 20 0 BCADHM COC(=O)C[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000471640031 533690048 /nfs/dbraw/zinc/69/00/48/533690048.db2.gz UFVQYYJBERZQCQ-YFKPBYRVSA-N -1 3 244.272 0.530 20 0 BCADHM CN(C)C(=O)CCCC(=O)[N-]OCC(F)F ZINC000760140686 585385917 /nfs/dbraw/zinc/38/59/17/585385917.db2.gz FLLRXEBORQWSQV-UHFFFAOYSA-N -1 3 238.234 0.558 20 0 BCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])N(C)C1CC1 ZINC000300668465 487788616 /nfs/dbraw/zinc/78/86/16/487788616.db2.gz MBXQBEINKRSEBO-SZEHBUNVSA-N -1 3 240.303 0.306 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC(n2cncn2)C1 ZINC000365017975 487805890 /nfs/dbraw/zinc/80/58/90/487805890.db2.gz NPIRRHJBTGPFFJ-UHFFFAOYSA-N -1 3 244.254 0.681 20 0 BCADHM COCCNC(=O)/C=C\c1cncc([O-])c1 ZINC000255899917 322942373 /nfs/dbraw/zinc/94/23/73/322942373.db2.gz AUVGUPBKCQRQTH-IHWYPQMZSA-N -1 3 222.244 0.563 20 0 BCADHM CSCCO[N-]C(=O)[C@@H]1CCCCN1C ZINC000794184634 586034451 /nfs/dbraw/zinc/03/44/51/586034451.db2.gz SXOIMAVEHVRIJL-VIFPVBQESA-N -1 3 232.349 0.882 20 0 BCADHM CCC1(O)CCN(CCNC(=O)[O-])CC1 ZINC000826653672 587357842 /nfs/dbraw/zinc/35/78/42/587357842.db2.gz FCWAAXYQTARPMG-UHFFFAOYSA-N -1 3 216.281 0.491 20 0 BCADHM CCOCCN1CCC[C@H]1CNC(=O)[O-] ZINC000827399611 587379768 /nfs/dbraw/zinc/37/97/68/587379768.db2.gz LBKIECPJCPSIAB-VIFPVBQESA-N -1 3 216.281 0.755 20 0 BCADHM O=C([O-])NC[C@@H]1CCCN1CCCO ZINC000832573298 587667824 /nfs/dbraw/zinc/66/78/24/587667824.db2.gz LYJKXIRNLVEROA-QMMMGPOBSA-N -1 3 202.254 0.101 20 0 BCADHM COC(C)(C)CC(=O)[N-]O[C@H](CO)C(C)C ZINC000836899211 587842553 /nfs/dbraw/zinc/84/25/53/587842553.db2.gz NBXIZFWDIBIHPT-SECBINFHSA-N -1 3 233.308 0.866 20 0 BCADHM O=C([O-])c1cnccc1N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252884279 487836773 /nfs/dbraw/zinc/83/67/73/487836773.db2.gz WGNXIDFTOYOKNN-PTOFAABTSA-N -1 3 248.282 0.987 20 0 BCADHM CCOC([O-])=NOCCOCCOC ZINC000496323949 529082949 /nfs/dbraw/zinc/08/29/49/529082949.db2.gz LGPLMLJHBAFDFR-UHFFFAOYSA-N -1 3 207.226 0.327 20 0 BCADHM CCOC(=O)[N-]OCCOCCOC ZINC000496323949 529082953 /nfs/dbraw/zinc/08/29/53/529082953.db2.gz LGPLMLJHBAFDFR-UHFFFAOYSA-N -1 3 207.226 0.327 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc[nH]c1=O ZINC000558669671 322953404 /nfs/dbraw/zinc/95/34/04/322953404.db2.gz BCBRCNAHSZGKHP-ZETCQYMHSA-N -1 3 246.288 0.564 20 0 BCADHM Cn1cc(C(=O)N2CCC2(C)C)c(=O)[n-]c1=O ZINC000558709760 322954273 /nfs/dbraw/zinc/95/42/73/322954273.db2.gz VSBBVGBPAUVPKT-UHFFFAOYSA-N -1 3 237.259 0.110 20 0 BCADHM O=S(=O)([N-]CC1(O)CCC1)c1cscn1 ZINC000564904613 322956183 /nfs/dbraw/zinc/95/61/83/322956183.db2.gz HICZLERKLCFVCV-UHFFFAOYSA-N -1 3 248.329 0.336 20 0 BCADHM CCc1nocc1C(=O)[N-]c1nc[nH]n1 ZINC000666725741 487864699 /nfs/dbraw/zinc/86/46/99/487864699.db2.gz QQMGMVMURWLSSC-UHFFFAOYSA-N -1 3 207.193 0.607 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000323931833 487879515 /nfs/dbraw/zinc/87/95/15/487879515.db2.gz YCGSPKOZGDJBCI-QMMMGPOBSA-N -1 3 229.305 0.877 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc3[n-]nnc32)C[C@@H]1O ZINC000682167492 487922995 /nfs/dbraw/zinc/92/29/95/487922995.db2.gz OOJKUURHOCBUTE-XVKPBYJWSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc3nn[n-]c32)C[C@@H]1O ZINC000682167492 487922999 /nfs/dbraw/zinc/92/29/99/487922999.db2.gz OOJKUURHOCBUTE-XVKPBYJWSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc3n[n-]nc32)C[C@@H]1O ZINC000682167492 487923006 /nfs/dbraw/zinc/92/30/06/487923006.db2.gz OOJKUURHOCBUTE-XVKPBYJWSA-N -1 3 246.270 0.411 20 0 BCADHM COCCn1[n-]c(=O)c2ccccc2c1=O ZINC000005115661 487936654 /nfs/dbraw/zinc/93/66/54/487936654.db2.gz VJWRZTKNEMJJOX-UHFFFAOYSA-N -1 3 220.228 0.336 20 0 BCADHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]Cc1cocn1 ZINC000682368374 487941224 /nfs/dbraw/zinc/94/12/24/487941224.db2.gz QYZUOTZYRFBJMO-CBAPKCEASA-N -1 3 246.288 0.271 20 0 BCADHM C[C@@H]1CCN(c2nc3nncc-3c(O)[n-]2)[C@@H]1CO ZINC000682396380 487947000 /nfs/dbraw/zinc/94/70/00/487947000.db2.gz UPCRWQHLYMKZGV-HTRCEHHLSA-N -1 3 249.274 0.266 20 0 BCADHM CC(C)C(C)(C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000560929097 322993538 /nfs/dbraw/zinc/99/35/38/322993538.db2.gz NKFDBSFRHZSKTN-ZETCQYMHSA-N -1 3 241.291 0.135 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCCC1 ZINC000561052050 322994482 /nfs/dbraw/zinc/99/44/82/322994482.db2.gz WDOFEGNDMVBPOT-UHFFFAOYSA-N -1 3 206.245 0.952 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3CC34CCOCC4)c1-2 ZINC000562700203 323027844 /nfs/dbraw/zinc/02/78/44/323027844.db2.gz JOGJVKHSAYZFIY-SECBINFHSA-N -1 3 245.286 0.707 20 0 BCADHM O=C(NCc1cccc(O)c1)c1c[n-]nn1 ZINC000088346559 323030839 /nfs/dbraw/zinc/03/08/39/323030839.db2.gz NTLURYMDYAJJON-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM O=C(NCc1cccc(O)c1)c1cnn[n-]1 ZINC000088346559 323030840 /nfs/dbraw/zinc/03/08/40/323030840.db2.gz NTLURYMDYAJJON-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM O=C(NCc1cccc(O)c1)c1cn[n-]n1 ZINC000088346559 323030841 /nfs/dbraw/zinc/03/08/41/323030841.db2.gz NTLURYMDYAJJON-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM C[C@H](NC(=O)Cc1cncc([O-])c1)c1cn[nH]c1 ZINC000565213695 323033711 /nfs/dbraw/zinc/03/37/11/323033711.db2.gz NCVSSWLVJUYOSB-QMMMGPOBSA-N -1 3 246.270 0.930 20 0 BCADHM CCC[C@@H](C)[C@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000569699742 323037580 /nfs/dbraw/zinc/03/75/80/323037580.db2.gz SUWHZGRZKFAFPB-SCZZXKLOSA-N -1 3 249.318 0.935 20 0 BCADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)c1nc[nH]n1 ZINC000569756293 323039855 /nfs/dbraw/zinc/03/98/55/323039855.db2.gz DVKIZVGLSPQCHC-SSDOTTSWSA-N -1 3 247.258 0.325 20 0 BCADHM CCC(CC)(CNC(=O)[C@@H]1C[C@@H]1N)C(=O)[O-] ZINC000570529587 323062526 /nfs/dbraw/zinc/06/25/26/323062526.db2.gz RKEQTHCSRWDBRH-SFYZADRCSA-N -1 3 228.292 0.341 20 0 BCADHM COCCNC(=O)c1c([O-])cccc1O ZINC000125545494 323077237 /nfs/dbraw/zinc/07/72/37/323077237.db2.gz WAPHJQXUDQVNQP-UHFFFAOYSA-N -1 3 211.217 0.474 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)[C@@H]1CC12CCCC2 ZINC000563161688 323097742 /nfs/dbraw/zinc/09/77/42/323097742.db2.gz BKYJOADXGDSKSQ-LURJTMIESA-N -1 3 249.274 0.422 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)[C@@H]1CC12CCCC2 ZINC000563161688 323097743 /nfs/dbraw/zinc/09/77/43/323097743.db2.gz BKYJOADXGDSKSQ-LURJTMIESA-N -1 3 249.274 0.422 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)[C@@H]1CC12CCCC2 ZINC000563161688 323097744 /nfs/dbraw/zinc/09/77/44/323097744.db2.gz BKYJOADXGDSKSQ-LURJTMIESA-N -1 3 249.274 0.422 20 0 BCADHM O=C([O-])CNC(=O)CN(C1CC1)C1CCCC1 ZINC000570996420 323103434 /nfs/dbraw/zinc/10/34/34/323103434.db2.gz WLRHKCADNLQRSQ-UHFFFAOYSA-N -1 3 240.303 0.594 20 0 BCADHM CO[C@H](C)CN1C[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000563282884 323108252 /nfs/dbraw/zinc/10/82/52/323108252.db2.gz KNLAWRIFTJJOMI-HRDYMLBCSA-N -1 3 217.265 0.195 20 0 BCADHM CO[C@H](C)CN1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000563282888 323108286 /nfs/dbraw/zinc/10/82/86/323108286.db2.gz KNLAWRIFTJJOMI-VGMNWLOBSA-N -1 3 217.265 0.195 20 0 BCADHM Cn1cc(C(=O)NC2(C3CC3)CC2)c(=O)[n-]c1=O ZINC000531860612 323118119 /nfs/dbraw/zinc/11/81/19/323118119.db2.gz WTIXLLODKOZWFW-UHFFFAOYSA-N -1 3 249.270 0.158 20 0 BCADHM CC(=O)N1CC(NCc2nc(C)ccc2[O-])C1 ZINC000563419430 323123901 /nfs/dbraw/zinc/12/39/01/323123901.db2.gz VAWZMHOFIUAMLV-UHFFFAOYSA-N -1 3 235.287 0.416 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CC(CF)C1 ZINC000571344138 323142096 /nfs/dbraw/zinc/14/20/96/323142096.db2.gz FRVKVJHTQOPDOI-UHFFFAOYSA-N -1 3 224.235 0.758 20 0 BCADHM COc1ccc(CCNC(=O)c2c[n-]nn2)cc1 ZINC000048889068 323155896 /nfs/dbraw/zinc/15/58/96/323155896.db2.gz JVPFUYDORNQITQ-UHFFFAOYSA-N -1 3 246.270 0.786 20 0 BCADHM COc1ccc(CCNC(=O)c2cnn[n-]2)cc1 ZINC000048889068 323155897 /nfs/dbraw/zinc/15/58/97/323155897.db2.gz JVPFUYDORNQITQ-UHFFFAOYSA-N -1 3 246.270 0.786 20 0 BCADHM COc1ccc(CCNC(=O)c2cn[n-]n2)cc1 ZINC000048889068 323155898 /nfs/dbraw/zinc/15/58/98/323155898.db2.gz JVPFUYDORNQITQ-UHFFFAOYSA-N -1 3 246.270 0.786 20 0 BCADHM CCN(CC)C(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000111255621 323157993 /nfs/dbraw/zinc/15/79/93/323157993.db2.gz KXBJJOKMUAGMTN-NXEZZACHSA-N -1 3 242.319 0.507 20 0 BCADHM O=C(Nc1cccc([O-])c1F)[C@H]1COCCO1 ZINC000534944429 323162317 /nfs/dbraw/zinc/16/23/17/323162317.db2.gz OSOOICZHZYEQKS-SECBINFHSA-N -1 3 241.218 0.885 20 0 BCADHM CS(=O)(=O)[N-]c1cccnc1-n1cncn1 ZINC000112009666 323164721 /nfs/dbraw/zinc/16/47/21/323164721.db2.gz PZKNNNDELXVSMD-UHFFFAOYSA-N -1 3 239.260 0.034 20 0 BCADHM CCCN(CCN(C)C)C(=O)[C@H](C)C(=O)[O-] ZINC000165506595 323175464 /nfs/dbraw/zinc/17/54/64/323175464.db2.gz OWXKCDIWHSNMDS-VIFPVBQESA-N -1 3 230.308 0.507 20 0 BCADHM CN(CC(C)(C)O)C(=O)c1cccc2[n-]nnc21 ZINC000525866242 323180421 /nfs/dbraw/zinc/18/04/21/323180421.db2.gz QVXMMFOWAXTEPA-UHFFFAOYSA-N -1 3 248.286 0.801 20 0 BCADHM CN(CC(C)(C)O)C(=O)c1cccc2nn[n-]c21 ZINC000525866242 323180422 /nfs/dbraw/zinc/18/04/22/323180422.db2.gz QVXMMFOWAXTEPA-UHFFFAOYSA-N -1 3 248.286 0.801 20 0 BCADHM CN(CC(C)(C)O)C(=O)c1cccc2n[n-]nc21 ZINC000525866242 323180423 /nfs/dbraw/zinc/18/04/23/323180423.db2.gz QVXMMFOWAXTEPA-UHFFFAOYSA-N -1 3 248.286 0.801 20 0 BCADHM Cn1nncc1CNC(=O)c1ccccc1[O-] ZINC000394944543 323184783 /nfs/dbraw/zinc/18/47/83/323184783.db2.gz HYMNTGZGKJBDHN-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM CCn1c(=O)[n-]nc1SCc1cn(C)nn1 ZINC000535644043 323187495 /nfs/dbraw/zinc/18/74/95/323187495.db2.gz DMQATEJMKBDTSG-UHFFFAOYSA-N -1 3 240.292 0.424 20 0 BCADHM COCC1(NC(=O)c2cc(C)nc(=O)[n-]2)CC1 ZINC000532529195 323273100 /nfs/dbraw/zinc/27/31/00/323273100.db2.gz CDNXKCHVTVJORJ-UHFFFAOYSA-N -1 3 237.259 0.399 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CC1(C)C ZINC000532797311 323299115 /nfs/dbraw/zinc/29/91/15/323299115.db2.gz OEHCOLDBGJMBAR-RKDXNWHRSA-N -1 3 237.303 0.661 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2csc(=O)[n-]2)CO1 ZINC000572042451 323524677 /nfs/dbraw/zinc/52/46/77/323524677.db2.gz NPWKREYTRUPVCU-RITPCOANSA-N -1 3 228.273 0.756 20 0 BCADHM Cn1[n-]c(CN[C@H]2CCC2(C)C)nc1=O ZINC000572056452 323530194 /nfs/dbraw/zinc/53/01/94/323530194.db2.gz SSGMDEOXQINZAC-ZETCQYMHSA-N -1 3 210.281 0.387 20 0 BCADHM CCc1cc(C(=O)[N-]c2nc(C)no2)n[nH]1 ZINC000127008494 324737532 /nfs/dbraw/zinc/73/75/32/324737532.db2.gz YOQZLAHEHAWKPD-UHFFFAOYSA-N -1 3 221.220 0.916 20 0 BCADHM CCOC(=O)C[C@H](C)CNC(=O)c1c[n-]nn1 ZINC000129976301 325000262 /nfs/dbraw/zinc/00/02/62/325000262.db2.gz HACZVGLTSLFMSR-ZETCQYMHSA-N -1 3 240.263 0.124 20 0 BCADHM CCOC(=O)C[C@H](C)CNC(=O)c1cnn[n-]1 ZINC000129976301 325000265 /nfs/dbraw/zinc/00/02/65/325000265.db2.gz HACZVGLTSLFMSR-ZETCQYMHSA-N -1 3 240.263 0.124 20 0 BCADHM CCOC(=O)C[C@H](C)CNC(=O)c1cn[n-]n1 ZINC000129976301 325000270 /nfs/dbraw/zinc/00/02/70/325000270.db2.gz HACZVGLTSLFMSR-ZETCQYMHSA-N -1 3 240.263 0.124 20 0 BCADHM COc1cccc(C(=O)N[C@@H]2CCOC2)c1[O-] ZINC000131552126 325163823 /nfs/dbraw/zinc/16/38/23/325163823.db2.gz LYPGIWLQMZXVHX-MRVPVSSYSA-N -1 3 237.255 0.920 20 0 BCADHM O=C([N-]c1nc2ccccn2n1)c1cnccn1 ZINC000133272160 325281093 /nfs/dbraw/zinc/28/10/93/325281093.db2.gz CNFDZUMVCBIRFU-UHFFFAOYSA-N -1 3 240.226 0.772 20 0 BCADHM C[C@H]([N-]S(C)(=O)=O)c1nc([C@@H]2C[C@@H]2C)no1 ZINC000546474625 325282405 /nfs/dbraw/zinc/28/24/05/325282405.db2.gz BWOZBFOFSGXTLW-LYFYHCNISA-N -1 3 245.304 0.803 20 0 BCADHM CC1=CCN(c2nc3[nH][n-]cc-3c(=N)n2)CC1 ZINC000546886918 325316730 /nfs/dbraw/zinc/31/67/30/325316730.db2.gz OGTKVAPKHAHPEI-UHFFFAOYSA-N -1 3 230.275 0.873 20 0 BCADHM COC(=O)C1(C(=O)Nc2ncccc2[O-])CC1 ZINC000135560449 325417852 /nfs/dbraw/zinc/41/78/52/325417852.db2.gz RKNBTXZKRNYTMI-UHFFFAOYSA-N -1 3 236.227 0.679 20 0 BCADHM CCc1nc(C)c(C(=O)[N-]c2ncn(C)n2)o1 ZINC000554226765 325710949 /nfs/dbraw/zinc/71/09/49/325710949.db2.gz IRCUCZMRWWUPOS-UHFFFAOYSA-N -1 3 235.247 0.926 20 0 BCADHM CN(C)c1nc(C(=O)N[C@@H]2CC23CC3)cc(=O)[n-]1 ZINC000564866545 325820091 /nfs/dbraw/zinc/82/00/91/325820091.db2.gz KWTWDBNXJBMQLI-MRVPVSSYSA-N -1 3 248.286 0.531 20 0 BCADHM COc1nc(NC(=O)Cc2cc(C)no2)n[n-]1 ZINC000566336326 326034768 /nfs/dbraw/zinc/03/47/68/326034768.db2.gz ADIRDWIDQIWEQT-UHFFFAOYSA-N -1 3 237.219 0.291 20 0 BCADHM COc1nnc(NC(=O)Cc2cc(C)no2)[n-]1 ZINC000566336326 326034770 /nfs/dbraw/zinc/03/47/70/326034770.db2.gz ADIRDWIDQIWEQT-UHFFFAOYSA-N -1 3 237.219 0.291 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2cc(C)no2)n1 ZINC000566336326 326034772 /nfs/dbraw/zinc/03/47/72/326034772.db2.gz ADIRDWIDQIWEQT-UHFFFAOYSA-N -1 3 237.219 0.291 20 0 BCADHM CCOC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000566740386 326078998 /nfs/dbraw/zinc/07/89/98/326078998.db2.gz IWJIEZXFCWTGFD-JOYOIKCWSA-N -1 3 241.287 0.736 20 0 BCADHM CN(Cc1nc[nH]n1)Cc1ncccc1[O-] ZINC000566882020 326090826 /nfs/dbraw/zinc/09/08/26/326090826.db2.gz GZXZJNFIUHBHEG-UHFFFAOYSA-N -1 3 219.248 0.537 20 0 BCADHM CN(Cc1nnc[nH]1)Cc1ncccc1[O-] ZINC000566882020 326090827 /nfs/dbraw/zinc/09/08/27/326090827.db2.gz GZXZJNFIUHBHEG-UHFFFAOYSA-N -1 3 219.248 0.537 20 0 BCADHM O=C(NCCN1CCC1)c1cccc2nn[n-]c21 ZINC000567436427 326190362 /nfs/dbraw/zinc/19/03/62/326190362.db2.gz HMOZHGRIYSAZKJ-UHFFFAOYSA-N -1 3 245.286 0.393 20 0 BCADHM O=C(NCCN1CCC1)c1cccc2[n-]nnc21 ZINC000567436427 326190365 /nfs/dbraw/zinc/19/03/65/326190365.db2.gz HMOZHGRIYSAZKJ-UHFFFAOYSA-N -1 3 245.286 0.393 20 0 BCADHM Cc1cnc(C)nc1N(C)C[C@H](C)c1nnn[n-]1 ZINC000567752653 326255432 /nfs/dbraw/zinc/25/54/32/326255432.db2.gz RWQMHBDYRQQWPI-QMMMGPOBSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1cnc(C)nc1N(C)C[C@H](C)c1nn[n-]n1 ZINC000567752653 326255433 /nfs/dbraw/zinc/25/54/33/326255433.db2.gz RWQMHBDYRQQWPI-QMMMGPOBSA-N -1 3 247.306 0.846 20 0 BCADHM CC[C@@](C)(NCc1ncccc1[O-])C(N)=O ZINC000568165701 326317672 /nfs/dbraw/zinc/31/76/72/326317672.db2.gz VELHKDQAVTVXSW-LLVKDONJSA-N -1 3 223.276 0.531 20 0 BCADHM CCN(C)CC[N-]S(=O)(=O)c1ccccn1 ZINC000158960048 326346825 /nfs/dbraw/zinc/34/68/25/326346825.db2.gz UHAVYSPZMXTESH-UHFFFAOYSA-N -1 3 243.332 0.312 20 0 BCADHM CCO[C@H]1C[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000568413745 326355766 /nfs/dbraw/zinc/35/57/66/326355766.db2.gz PLCZDAMBLRMLMT-MNOVXSKESA-N -1 3 236.271 0.623 20 0 BCADHM COC(=O)c1cccc2nc(NC(=O)CO)[n-]c21 ZINC000159276660 326394005 /nfs/dbraw/zinc/39/40/05/326394005.db2.gz MHPDGAHROGTXNB-UHFFFAOYSA-N -1 3 249.226 0.280 20 0 BCADHM COC(=O)c1cccc2[n-]c(NC(=O)CO)nc21 ZINC000159276660 326394008 /nfs/dbraw/zinc/39/40/08/326394008.db2.gz MHPDGAHROGTXNB-UHFFFAOYSA-N -1 3 249.226 0.280 20 0 BCADHM CCN(CC)CC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000569222033 326395870 /nfs/dbraw/zinc/39/58/70/326395870.db2.gz HXZZVJAGTUPVTL-VIFPVBQESA-N -1 3 242.319 0.792 20 0 BCADHM Cc1cc(CC(=O)NCc2ncccc2[O-])on1 ZINC000573213035 326435926 /nfs/dbraw/zinc/43/59/26/326435926.db2.gz SVXDIYWRWYLWMI-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000655390763 488002132 /nfs/dbraw/zinc/00/21/32/488002132.db2.gz MGGVZAPCRRDOMI-GMSGAONNSA-N -1 3 206.245 0.854 20 0 BCADHM C[C@H]1CN(C(=O)Cc2cncc([O-])c2)CCC1=O ZINC000655393002 488003836 /nfs/dbraw/zinc/00/38/36/488003836.db2.gz HRARZNBOHOLBMY-VIFPVBQESA-N -1 3 248.282 0.767 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C1CCC1 ZINC000677313668 488014655 /nfs/dbraw/zinc/01/46/55/488014655.db2.gz FWHZUOFDECTJBM-MRVPVSSYSA-N -1 3 243.332 0.887 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](N)C(C)C ZINC000044625166 488029748 /nfs/dbraw/zinc/02/97/48/488029748.db2.gz ZCZYBFMYZGIEFW-HTQZYQBOSA-N -1 3 216.281 0.291 20 0 BCADHM NC(=O)C1(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000677801422 488124413 /nfs/dbraw/zinc/12/44/13/488124413.db2.gz PRCBMGFCKUZAKI-UHFFFAOYSA-N -1 3 238.218 0.735 20 0 BCADHM CC(C)([N-]S(C)(=O)=O)C(C)(F)F ZINC000406864230 487513668 /nfs/dbraw/zinc/51/36/68/487513668.db2.gz IUUHLZJGIHGFBQ-UHFFFAOYSA-N -1 3 201.238 0.969 20 0 BCADHM CCS(=O)(=O)[N-]Cc1nc(C2CCC2)no1 ZINC000680694296 487635946 /nfs/dbraw/zinc/63/59/46/487635946.db2.gz XRLUOCQCBNSEIT-UHFFFAOYSA-N -1 3 245.304 0.776 20 0 BCADHM CC(C)(C(N)=O)C(=O)Nc1ncccc1[O-] ZINC000683499587 488180634 /nfs/dbraw/zinc/18/06/34/488180634.db2.gz YIDGYAVYGWRCHA-UHFFFAOYSA-N -1 3 223.232 0.237 20 0 BCADHM CCCNC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000054300120 488242387 /nfs/dbraw/zinc/24/23/87/488242387.db2.gz VWKMOQQFMXAXBX-SNVBAGLBSA-N -1 3 242.319 0.699 20 0 BCADHM COc1nc(NC(=O)c2cocn2)n[n-]1 ZINC000679320101 488334982 /nfs/dbraw/zinc/33/49/82/488334982.db2.gz JUWALNGAONXSOO-UHFFFAOYSA-N -1 3 209.165 0.054 20 0 BCADHM CCN1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000678719281 488278483 /nfs/dbraw/zinc/27/84/83/488278483.db2.gz XWBDUEWCGHHTJZ-QMMMGPOBSA-N -1 3 225.296 0.036 20 0 BCADHM Cn1ncc(C(=O)NCc2ncccc2[O-])c1N ZINC000684351121 488298582 /nfs/dbraw/zinc/29/85/82/488298582.db2.gz SMOZGCGAWGJERU-UHFFFAOYSA-N -1 3 247.258 0.033 20 0 BCADHM O=C([N-]c1cnoc1)c1nccn2ccnc12 ZINC000673653647 488300512 /nfs/dbraw/zinc/30/05/12/488300512.db2.gz OOVPNBLHTWNGIW-UHFFFAOYSA-N -1 3 229.199 0.970 20 0 BCADHM OCc1nnc(Sc2cc3c(nn2)CCC3)[n-]1 ZINC000684589185 488329105 /nfs/dbraw/zinc/32/91/05/488329105.db2.gz HLJIOZDNWLKXCG-UHFFFAOYSA-N -1 3 249.299 0.727 20 0 BCADHM OCc1nc(Sc2cc3c(nn2)CCC3)n[n-]1 ZINC000684589185 488329106 /nfs/dbraw/zinc/32/91/06/488329106.db2.gz HLJIOZDNWLKXCG-UHFFFAOYSA-N -1 3 249.299 0.727 20 0 BCADHM O=C([N-]c1nnc2n1CCCC2)c1cnco1 ZINC000679582983 488359499 /nfs/dbraw/zinc/35/94/99/488359499.db2.gz BZMUUUWTMSXXGV-UHFFFAOYSA-N -1 3 233.231 0.855 20 0 BCADHM CC[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000336499209 490092865 /nfs/dbraw/zinc/09/28/65/490092865.db2.gz GXBXGONXAHCMTP-QMMMGPOBSA-N -1 3 210.281 0.340 20 0 BCADHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)CO)c[nH]1 ZINC000122830078 490178206 /nfs/dbraw/zinc/17/82/06/490178206.db2.gz YGHPCQWUZMNLHR-ZETCQYMHSA-N -1 3 247.320 0.192 20 0 BCADHM O=c1[n-]c(CN2CCC[C@@H]3CCC[C@H]32)n[nH]1 ZINC000092618854 490359304 /nfs/dbraw/zinc/35/93/04/490359304.db2.gz GQLIYMYMNSTRQC-DTWKUNHWSA-N -1 3 222.292 0.863 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CCCOCC1 ZINC000220235042 490594093 /nfs/dbraw/zinc/59/40/93/490594093.db2.gz VZFVHEAOTZCQGK-UHFFFAOYSA-N -1 3 237.255 0.960 20 0 BCADHM CC(C)C[C@H](N)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000087513398 491089542 /nfs/dbraw/zinc/08/95/42/491089542.db2.gz ALUFVXRHMFTOKD-ZJUUUORDSA-N -1 3 244.335 0.833 20 0 BCADHM Cc1nn(C)cc1CN[C@@]1(C(=O)[O-])CCOC1 ZINC000417561957 491120582 /nfs/dbraw/zinc/12/05/82/491120582.db2.gz FCDSSGBUXDFLQP-NSHDSACASA-N -1 3 239.275 0.062 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCN(C)C1=O ZINC000625749723 491125723 /nfs/dbraw/zinc/12/57/23/491125723.db2.gz QZBKJYVBWPLAGP-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM Cn1ncc(C(=O)Nc2ccccc2[O-])c1N ZINC000082698047 491152669 /nfs/dbraw/zinc/15/26/69/491152669.db2.gz QPQPGIWBMVQCTE-UHFFFAOYSA-N -1 3 232.243 0.960 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H]1CCCCO1 ZINC000891341355 582667616 /nfs/dbraw/zinc/66/76/16/582667616.db2.gz YQDUTGVGLBJBII-SSDOTTSWSA-N -1 3 225.252 0.201 20 0 BCADHM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000305222445 534098903 /nfs/dbraw/zinc/09/89/03/534098903.db2.gz WKAASNTUYYABHT-YUMQZZPRSA-N -1 3 247.320 0.095 20 0 BCADHM C[C@@H]1OC(=O)N[C@H]1C(=O)Nc1ccccc1[O-] ZINC000496460717 534147076 /nfs/dbraw/zinc/14/70/76/534147076.db2.gz SMJMTKRDDMWRLW-IMTBSYHQSA-N -1 3 236.227 0.828 20 0 BCADHM [O-]c1cc(Cl)cc(CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000892066843 582783457 /nfs/dbraw/zinc/78/34/57/582783457.db2.gz XYFQJSJTHJNBHT-PHIMTYICSA-N -1 3 243.690 0.583 20 0 BCADHM CC(C)OCCO[N-]C(=O)C=Cc1c[nH]cn1 ZINC000493323984 527982621 /nfs/dbraw/zinc/98/26/21/527982621.db2.gz PQWOZPJZGYIGBT-ONEGZZNKSA-N -1 3 239.275 0.896 20 0 BCADHM CCOC(=O)CN(C)C(=O)c1csc(=O)[n-]1 ZINC000471879813 528788175 /nfs/dbraw/zinc/78/81/75/528788175.db2.gz HKIKZFQIQVNPFQ-UHFFFAOYSA-N -1 3 244.272 0.484 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000261576047 535361381 /nfs/dbraw/zinc/36/13/81/535361381.db2.gz KBILUZHDXQUFJS-DTWKUNHWSA-N -1 3 228.292 0.450 20 0 BCADHM COC1(C)CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000347673952 536564982 /nfs/dbraw/zinc/56/49/82/536564982.db2.gz LDRGXPWKOMKIMD-UHFFFAOYSA-N -1 3 240.307 0.109 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000348846493 536634775 /nfs/dbraw/zinc/63/47/75/536634775.db2.gz YQHQGSMKSFIUQA-BYPYZUCNSA-N -1 3 230.245 0.140 20 0 BCADHM FCCN=c1cc(NCCF)n2[n-]cnc2n1 ZINC000435603227 537908124 /nfs/dbraw/zinc/90/81/24/537908124.db2.gz ZHUQDQLQVDLANP-UHFFFAOYSA-N -1 3 242.233 0.309 20 0 BCADHM C[C@@H]1OCCN(c2cc(=O)[n-]cn2)[C@H]1C ZINC000892942112 583013921 /nfs/dbraw/zinc/01/39/21/583013921.db2.gz RVENQTSBFKJGJU-YUMQZZPRSA-N -1 3 209.249 0.796 20 0 BCADHM C[C@@H]1[C@H](C)OCCN1c1cc(=O)[n-]cn1 ZINC000892942111 583014053 /nfs/dbraw/zinc/01/40/53/583014053.db2.gz RVENQTSBFKJGJU-SFYZADRCSA-N -1 3 209.249 0.796 20 0 BCADHM O=c1cc(N2CCOC3(CCC3)C2)nc[n-]1 ZINC000893054380 583038268 /nfs/dbraw/zinc/03/82/68/583038268.db2.gz GFPHJZXKNDIERJ-UHFFFAOYSA-N -1 3 221.260 0.942 20 0 BCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@@H](C(=O)[O-])C1 ZINC000218288755 583172971 /nfs/dbraw/zinc/17/29/71/583172971.db2.gz YKXBTHPGOIWAHO-RKDXNWHRSA-N -1 3 242.319 0.696 20 0 BCADHM CC[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000218290432 583173075 /nfs/dbraw/zinc/17/30/75/583173075.db2.gz ALANHEVQHCBAEZ-LPEHRKFASA-N -1 3 242.319 0.696 20 0 BCADHM C[C@H](C(=O)N(C)CC(=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000221329226 583177875 /nfs/dbraw/zinc/17/78/75/583177875.db2.gz IORGASDPOPKSJT-KXUCPTDWSA-N -1 3 242.319 0.791 20 0 BCADHM C[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1C(=O)[O-] ZINC000111254065 588737708 /nfs/dbraw/zinc/73/77/08/588737708.db2.gz FTDQBPQFTFDELB-SCZZXKLOSA-N -1 3 240.303 0.165 20 0 BCADHM C[C@H]1CN(C(=O)c2cncc([O-])c2)CCN1C ZINC000111740195 588769392 /nfs/dbraw/zinc/76/93/92/588769392.db2.gz RMCTWZQLIUYNPA-VIFPVBQESA-N -1 3 235.287 0.563 20 0 BCADHM O=C(NN1CCCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000854327317 588784158 /nfs/dbraw/zinc/78/41/58/588784158.db2.gz WNZMSAQCBTXVHQ-UHFFFAOYSA-N -1 3 248.286 0.800 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H]1C(=O)NCC[C@H]1C ZINC000854335901 588784706 /nfs/dbraw/zinc/78/47/06/588784706.db2.gz KBGDUUDJYPVVNB-RNFRBKRXSA-N -1 3 234.246 0.673 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@@H](O)C(C)(C)C)CC1 ZINC000854357735 588784877 /nfs/dbraw/zinc/78/48/77/588784877.db2.gz KXRSTBXCXQVWCH-SNVBAGLBSA-N -1 3 244.335 0.535 20 0 BCADHM CC1=NO[C@@H](C(=O)[N-]OC2CCN(C)CC2)C1 ZINC000854358567 588785260 /nfs/dbraw/zinc/78/52/60/588785260.db2.gz YONIFRPCBGSBGO-SNVBAGLBSA-N -1 3 241.291 0.293 20 0 BCADHM CC=CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854488818 588789401 /nfs/dbraw/zinc/78/94/01/588789401.db2.gz YDTGYKNJCBRBIN-DUXPYHPUSA-N -1 3 209.249 0.335 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CCCNC(=O)C2)c1 ZINC000112210121 588786136 /nfs/dbraw/zinc/78/61/36/588786136.db2.gz GMVRPBIWZXVXGP-UHFFFAOYSA-N -1 3 248.282 0.663 20 0 BCADHM CO[C@@H](C)CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854487104 588789226 /nfs/dbraw/zinc/78/92/26/588789226.db2.gz GWWMCULLVDFPPR-QMMMGPOBSA-N -1 3 241.291 0.184 20 0 BCADHM O=C([N-]OC/C=C/Cl)[C@H]1[C@@H]2COC[C@@H]21 ZINC000854534010 588791079 /nfs/dbraw/zinc/79/10/79/588791079.db2.gz GSDHNXLEQZNFFH-RFLKHHCQSA-N -1 3 217.652 0.679 20 0 BCADHM Cn1cc(CCC(=O)[N-]Oc2ccccc2)nn1 ZINC000854536024 588791177 /nfs/dbraw/zinc/79/11/77/588791177.db2.gz MHOAOLRMUSAEIP-UHFFFAOYSA-N -1 3 246.270 0.858 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N[C@@H]1COC(=O)C1 ZINC000854557306 588794570 /nfs/dbraw/zinc/79/45/70/588794570.db2.gz JUBBFFAIOXSJOQ-IYABHPQVSA-N -1 3 248.238 0.232 20 0 BCADHM CCn1ncn([N-]C(=O)[C@]2(C)CC2(F)F)c1=O ZINC000854627267 588797838 /nfs/dbraw/zinc/79/78/38/588797838.db2.gz QJISJXMOETYGPH-QMMMGPOBSA-N -1 3 246.217 0.180 20 0 BCADHM CSC(C)(C)C(=O)[N-]OCCN(C)C ZINC000854690754 588801767 /nfs/dbraw/zinc/80/17/67/588801767.db2.gz JRLQXMXFGBLMQS-UHFFFAOYSA-N -1 3 220.338 0.737 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@]12C[C@H]1COC2(C)C ZINC000854690822 588801851 /nfs/dbraw/zinc/80/18/51/588801851.db2.gz MGKJNZJFRWFSLM-CABZTGNLSA-N -1 3 242.319 0.411 20 0 BCADHM C[C@@H]([N-]C(=O)C(F)F)c1nccc(N)n1 ZINC000854758845 588805904 /nfs/dbraw/zinc/80/59/04/588805904.db2.gz BCDIBNSMKDPBKM-SCSAIBSYSA-N -1 3 216.191 0.501 20 0 BCADHM CC[C@H]([N-]C(=O)C(F)(F)CC)C(=O)NC ZINC000854894160 588815592 /nfs/dbraw/zinc/81/55/92/588815592.db2.gz QGSSDYAUZXLRRJ-LURJTMIESA-N -1 3 222.235 0.673 20 0 BCADHM CN(C)CCO[N-]C(=O)Cc1cncs1 ZINC000854945276 588817833 /nfs/dbraw/zinc/81/78/33/588817833.db2.gz NFAOXNVRHDTWTF-UHFFFAOYSA-N -1 3 229.305 0.295 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000854947183 588818337 /nfs/dbraw/zinc/81/83/37/588818337.db2.gz JMATWWDWWIBLSC-BBBLOLIVSA-N -1 3 228.292 0.163 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H]1CCC(=O)N(C)C1=O ZINC000854986852 588819818 /nfs/dbraw/zinc/81/98/18/588819818.db2.gz DCTQZRNRVVPKMR-LURJTMIESA-N -1 3 248.229 0.295 20 0 BCADHM C/C=C/C(=O)[N-]OC(C)(C)C(=O)OCC ZINC000855131862 588822699 /nfs/dbraw/zinc/82/26/99/588822699.db2.gz DUZIBLDFCSDZDO-FNORWQNLSA-N -1 3 215.249 0.952 20 0 BCADHM C/C=C/C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000890530631 582468418 /nfs/dbraw/zinc/46/84/18/582468418.db2.gz QBVRBUSHMMHDHC-GKQMSVHHSA-N -1 3 248.286 0.453 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@H](O)[C@@H](F)C1 ZINC000890704736 582509578 /nfs/dbraw/zinc/50/95/78/582509578.db2.gz JGZDNEYIQHFURH-ONGXEEELSA-N -1 3 239.246 0.937 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@]1(C)CCCO1 ZINC000891339961 582666838 /nfs/dbraw/zinc/66/68/38/582666838.db2.gz MAHTXGYBYCQTTH-SECBINFHSA-N -1 3 225.252 0.201 20 0 BCADHM CCn1nnnc1[N-]C(=O)C1CCC(=O)CC1 ZINC000891340888 582667655 /nfs/dbraw/zinc/66/76/55/582667655.db2.gz UNMMQCVWFYMDAC-UHFFFAOYSA-N -1 3 237.263 0.391 20 0 BCADHM CN(CC(N)=O)Cc1cc([O-])cc(Cl)c1 ZINC000891582142 582699193 /nfs/dbraw/zinc/69/91/93/582699193.db2.gz OHTSSKGKYAWOFM-UHFFFAOYSA-N -1 3 228.679 0.963 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@@H]1CO ZINC000889129833 582825762 /nfs/dbraw/zinc/82/57/62/582825762.db2.gz KYMXAMGSEZTCKO-MRVPVSSYSA-N -1 3 232.243 0.165 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]2CO)c1 ZINC000889133141 582832732 /nfs/dbraw/zinc/83/27/32/582832732.db2.gz WZYPTQISRBSFCR-SECBINFHSA-N -1 3 221.256 0.907 20 0 BCADHM CCCC(=O)[N-]OCCN1CCCC1=O ZINC000856036062 588858087 /nfs/dbraw/zinc/85/80/87/588858087.db2.gz ORQJMHTZLOPWOU-UHFFFAOYSA-N -1 3 214.265 0.457 20 0 BCADHM CCC(=O)[N-]OCCN1CCCC1=O ZINC000856035817 588858115 /nfs/dbraw/zinc/85/81/15/588858115.db2.gz NQYKYKPMEUVWDV-UHFFFAOYSA-N -1 3 200.238 0.067 20 0 BCADHM Cc1oc([N-]C(=O)c2nnn(C)n2)nc1C1CC1 ZINC000892529358 582906963 /nfs/dbraw/zinc/90/69/63/582906963.db2.gz ZHIRAVUPUCJGMK-UHFFFAOYSA-N -1 3 248.246 0.636 20 0 BCADHM CN1CC[C@@H](C(=O)[N-]OCC2CCC2)CC1=O ZINC000856344936 588867621 /nfs/dbraw/zinc/86/76/21/588867621.db2.gz CCKQDLXZQFGGGT-SNVBAGLBSA-N -1 3 240.303 0.703 20 0 BCADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])C(C)(C)O ZINC000394008718 582938836 /nfs/dbraw/zinc/93/88/36/582938836.db2.gz GFHFFGSDSONMNT-ZETCQYMHSA-N -1 3 239.271 0.987 20 0 BCADHM Cc1nc(N2CC[C@@H](N3CC=CC3)C2)cc(=O)[n-]1 ZINC000892678816 582951493 /nfs/dbraw/zinc/95/14/93/582951493.db2.gz HWNDGIGAAAYXCB-LLVKDONJSA-N -1 3 246.314 0.941 20 0 BCADHM CC(C)CC(=O)[N-]OCCN1CCCC1=O ZINC000856036118 588858170 /nfs/dbraw/zinc/85/81/70/588858170.db2.gz QFXJBXCHGOWUAL-UHFFFAOYSA-N -1 3 228.292 0.703 20 0 BCADHM NC(=O)[C@H]1CC[C@H]1C(=O)[N-]OCC1CCC1 ZINC000856351354 588870237 /nfs/dbraw/zinc/87/02/37/588870237.db2.gz FEWRKKXQSQIFNE-DTWKUNHWSA-N -1 3 226.276 0.346 20 0 BCADHM CCOC(=O)[C@H](C)CNc1cc(=O)[n-]cn1 ZINC000892848445 582994917 /nfs/dbraw/zinc/99/49/17/582994917.db2.gz SROOWUPCAKQRFB-SSDOTTSWSA-N -1 3 225.248 0.793 20 0 BCADHM O=c1cc(N2CCO[C@]3(CCOC3)C2)nc[n-]1 ZINC000893218643 583074029 /nfs/dbraw/zinc/07/40/29/583074029.db2.gz IYTXSLWROOBCBJ-LLVKDONJSA-N -1 3 237.259 0.178 20 0 BCADHM COCCOCCC(=O)[N-]OCC1CCC1 ZINC000856346661 588868837 /nfs/dbraw/zinc/86/88/37/588868837.db2.gz JBBKFFAFGMHDLJ-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]OCC1CCC1 ZINC000856349401 588869484 /nfs/dbraw/zinc/86/94/84/588869484.db2.gz MUGPNCBZEWFTAH-SNVBAGLBSA-N -1 3 212.293 0.929 20 0 BCADHM COC(=O)[C@@H](C)N(C)c1cc(=O)[n-]cn1 ZINC000893622038 583175461 /nfs/dbraw/zinc/17/54/61/583175461.db2.gz XXACPIFPGRXXPX-ZCFIWIBFSA-N -1 3 211.221 0.180 20 0 BCADHM O=c1cc(NC[C@H](CO)[C@@H]2CCOC2)nc[n-]1 ZINC000893642230 583184195 /nfs/dbraw/zinc/18/41/95/583184195.db2.gz MUSMBHBIRLMAEA-RKDXNWHRSA-N -1 3 239.275 0.239 20 0 BCADHM O=c1cc(N2CCO[C@H](C(F)F)C2)nc[n-]1 ZINC000893709393 583208686 /nfs/dbraw/zinc/20/86/86/583208686.db2.gz VQEAUKHTOSIMIM-LURJTMIESA-N -1 3 231.202 0.653 20 0 BCADHM Cc1nc(NC[C@]2(C)CCC(=O)N2)cc(=O)[n-]1 ZINC000894140102 583316379 /nfs/dbraw/zinc/31/63/79/583316379.db2.gz PYXYFHNPPSANIK-NSHDSACASA-N -1 3 236.275 0.571 20 0 BCADHM Cc1cnc(CCNc2cc(=O)[n-]cn2)cn1 ZINC000894141084 583317058 /nfs/dbraw/zinc/31/70/58/583317058.db2.gz FVDXSHFBZQJIJR-UHFFFAOYSA-N -1 3 231.259 0.935 20 0 BCADHM CN(C)C(=O)[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000894192985 583333957 /nfs/dbraw/zinc/33/39/57/583333957.db2.gz ARXUCCWQRSEAKH-MRVPVSSYSA-N -1 3 236.275 0.097 20 0 BCADHM CCONC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000726876631 583380334 /nfs/dbraw/zinc/38/03/34/583380334.db2.gz YLOZJTPLRRXJLD-UHFFFAOYSA-N -1 3 249.226 0.643 20 0 BCADHM Cc1nc(N2CCO[C@@H]([C@H](C)O)C2)cc(=O)[n-]1 ZINC000894225544 583383549 /nfs/dbraw/zinc/38/35/49/583383549.db2.gz XUAZDTZAEFZHRK-IONNQARKSA-N -1 3 239.275 0.077 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCc1ccncn1 ZINC000857284214 588902940 /nfs/dbraw/zinc/90/29/40/588902940.db2.gz BLWULFSWPVNHHH-UHFFFAOYSA-N -1 3 239.275 0.228 20 0 BCADHM Cc1ncsc1CCn1c([O-])coc1=O ZINC000204872719 583391217 /nfs/dbraw/zinc/39/12/17/583391217.db2.gz DGVMNAODJCNRFP-UHFFFAOYSA-N -1 3 226.257 0.973 20 0 BCADHM CCN(OC)C(=O)CNc1cc(=O)[n-]c(C)n1 ZINC000894355801 583434782 /nfs/dbraw/zinc/43/47/82/583434782.db2.gz ADHAVKNNYUSRHS-UHFFFAOYSA-N -1 3 240.263 0.312 20 0 BCADHM O=c1cc(N[C@@H](CO)CCF)nc[n-]1 ZINC000894401292 583449589 /nfs/dbraw/zinc/44/95/89/583449589.db2.gz BKFVRGUTFVYUBA-ZCFIWIBFSA-N -1 3 201.201 0.315 20 0 BCADHM CCNC(=O)CCCC(=O)[N-]OC(C)(C)CO ZINC000857284879 588903596 /nfs/dbraw/zinc/90/35/96/588903596.db2.gz JWROADNFZNDVCH-UHFFFAOYSA-N -1 3 246.307 0.112 20 0 BCADHM Cc1coc(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000894422226 583457750 /nfs/dbraw/zinc/45/77/50/583457750.db2.gz HOLQGMBPMPDTAI-SNVBAGLBSA-N -1 3 249.270 0.324 20 0 BCADHM COCCOCCC(=O)[N-]O[C@H](CO)C(C)C ZINC000857286906 588904179 /nfs/dbraw/zinc/90/41/79/588904179.db2.gz JZYJWLPWHRCCOH-SNVBAGLBSA-N -1 3 249.307 0.104 20 0 BCADHM C[C@H]1CN(Cc2ccc([O-])c(F)c2)CC(=O)N1 ZINC000894731023 583513293 /nfs/dbraw/zinc/51/32/93/583513293.db2.gz YTQGSFRSYQDLDY-QMMMGPOBSA-N -1 3 238.262 0.852 20 0 BCADHM CON(C)C(=O)[C@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000894816401 583523003 /nfs/dbraw/zinc/52/30/03/583523003.db2.gz ZFWZURQCZHFFJK-LURJTMIESA-N -1 3 240.263 0.311 20 0 BCADHM Cc1ccc([O-])c(CNC[C@H]2COCO2)n1 ZINC000894873393 583540068 /nfs/dbraw/zinc/54/00/68/583540068.db2.gz RQJZDOWRECNNCG-VIFPVBQESA-N -1 3 224.260 0.558 20 0 BCADHM COCCO[N-]C(=O)C1(C)CCOCC1 ZINC000748768399 583547297 /nfs/dbraw/zinc/54/72/97/583547297.db2.gz XIKINYNIOWCXDA-UHFFFAOYSA-N -1 3 217.265 0.497 20 0 BCADHM Cc1cnc(N2CCC(c3nnn[n-]3)CC2)nc1 ZINC000895006109 583566224 /nfs/dbraw/zinc/56/62/24/583566224.db2.gz LHYSLFXVDQRQGU-UHFFFAOYSA-N -1 3 245.290 0.682 20 0 BCADHM Cc1cnc(N2CCC(c3nn[n-]n3)CC2)nc1 ZINC000895006109 583566227 /nfs/dbraw/zinc/56/62/27/583566227.db2.gz LHYSLFXVDQRQGU-UHFFFAOYSA-N -1 3 245.290 0.682 20 0 BCADHM C[C@@H](O)CN1CCN(CCCCC(=O)[O-])CC1 ZINC000737701525 583582369 /nfs/dbraw/zinc/58/23/69/583582369.db2.gz DNUSLSGZLYZDCH-LLVKDONJSA-N -1 3 244.335 0.240 20 0 BCADHM CC(C)[C@@H](NC(=O)[O-])C(=O)N(C)CCN(C)C ZINC000141808659 583606261 /nfs/dbraw/zinc/60/62/61/583606261.db2.gz NXUFKIOVXNXZHU-SECBINFHSA-N -1 3 245.323 0.299 20 0 BCADHM CCO[C@@H](CC)C(=O)N[N-]C(=O)c1ccoc1 ZINC000142727568 583618462 /nfs/dbraw/zinc/61/84/62/583618462.db2.gz YUNQBKSTDNUAHY-VIFPVBQESA-N -1 3 240.259 0.856 20 0 BCADHM O=c1cc(N[C@H](CO)C[C@H]2CCCO2)nc[n-]1 ZINC000895203297 583624476 /nfs/dbraw/zinc/62/44/76/583624476.db2.gz WLHOTGYCXVLXOZ-DTWKUNHWSA-N -1 3 239.275 0.524 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2C(=O)NCC2(C)C)n1 ZINC000895315612 583648033 /nfs/dbraw/zinc/64/80/33/583648033.db2.gz HTLRJMRCLVAETI-NSHDSACASA-N -1 3 249.314 0.710 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCN1C(C)(C)C ZINC000895527177 583684338 /nfs/dbraw/zinc/68/43/38/583684338.db2.gz WPXPMAPPDWKWOL-MRVPVSSYSA-N -1 3 200.282 0.927 20 0 BCADHM CN1CC[C@H]1CNc1cc(Cl)n[n-]c1=O ZINC000895767694 583723430 /nfs/dbraw/zinc/72/34/30/583723430.db2.gz PPXSENUJPXZOBX-LURJTMIESA-N -1 3 228.683 0.952 20 0 BCADHM [O-]c1ccc(CN2CC[C@@H](O)[C@@H](O)C2)cc1F ZINC000895849101 583736905 /nfs/dbraw/zinc/73/69/05/583736905.db2.gz SENRECBWIYZLPI-NEPJUHHUSA-N -1 3 241.262 0.459 20 0 BCADHM O=C(N[C@H]1CCn2cncc21)c1cc(=O)[n-]cn1 ZINC000857974294 588926391 /nfs/dbraw/zinc/92/63/91/588926391.db2.gz FWIGWNBKFBYBRI-ZETCQYMHSA-N -1 3 245.242 0.254 20 0 BCADHM CO[C@@H]1CN(Cc2nc(C)ccc2[O-])CCO1 ZINC000895968645 583754874 /nfs/dbraw/zinc/75/48/74/583754874.db2.gz PWHDSKGNZVYSBR-LBPRGKRZSA-N -1 3 238.287 0.900 20 0 BCADHM CCO[C@H]1CCN(c2nc3nncc-3c(O)[n-]2)C1 ZINC000896406483 583800377 /nfs/dbraw/zinc/80/03/77/583800377.db2.gz FZTZMXSGEZBSOM-ZETCQYMHSA-N -1 3 249.274 0.674 20 0 BCADHM CO[N-]C(=O)CN[C@@H](C)CSCCF ZINC000896924099 583858479 /nfs/dbraw/zinc/85/84/79/583858479.db2.gz KELGJQKFPNFZHH-ZETCQYMHSA-N -1 3 224.301 0.345 20 0 BCADHM CO[N-]C(=O)CNCCc1ccc(F)c(F)c1 ZINC000896924869 583857284 /nfs/dbraw/zinc/85/72/84/583857284.db2.gz PULBDMYRIUPPST-UHFFFAOYSA-N -1 3 244.241 0.775 20 0 BCADHM CO[N-]C(=O)CNC1CC(OC(C)C)C1 ZINC000896927044 583858524 /nfs/dbraw/zinc/85/85/24/583858524.db2.gz ORLFJYTUAWMSDG-UHFFFAOYSA-N -1 3 216.281 0.210 20 0 BCADHM CO[N-]C(=O)CNCc1cc(O)cc(Cl)c1 ZINC000896923519 583858613 /nfs/dbraw/zinc/85/86/13/583858613.db2.gz FVLXKMARFZWZIJ-UHFFFAOYSA-N -1 3 244.678 0.813 20 0 BCADHM CCN(CCC(=O)NC)c1cc(=O)[n-]c(C)n1 ZINC000896977561 583865453 /nfs/dbraw/zinc/86/54/53/583865453.db2.gz LQRKYLRDANARCL-UHFFFAOYSA-N -1 3 238.291 0.453 20 0 BCADHM CO[C@@H]1CC[C@@H]1N(C)c1cc(=O)[n-]cn1 ZINC000897142916 583884071 /nfs/dbraw/zinc/88/40/71/583884071.db2.gz VLAKBFQIMHGSLC-JGVFFNPUSA-N -1 3 209.249 0.796 20 0 BCADHM CO[C@H]1CC[C@@H]1N(C)c1nc2nncc-2c(O)[n-]1 ZINC000897148845 583884735 /nfs/dbraw/zinc/88/47/35/583884735.db2.gz JXDOAHCFDRISHW-YUMQZZPRSA-N -1 3 249.274 0.672 20 0 BCADHM CC[C@H](O)CN1CCC[C@@H](NC(=O)[O-])C1 ZINC000737787108 583919989 /nfs/dbraw/zinc/91/99/89/583919989.db2.gz RCLDELZORMJFLM-BDAKNGLRSA-N -1 3 216.281 0.489 20 0 BCADHM CC[C@@H](O)CN1CCN(CCCC(=O)[O-])CC1 ZINC000737787376 583920475 /nfs/dbraw/zinc/92/04/75/583920475.db2.gz RWRFEVUEBRHTCD-LLVKDONJSA-N -1 3 244.335 0.240 20 0 BCADHM CCN1CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858308716 588943666 /nfs/dbraw/zinc/94/36/66/588943666.db2.gz NPNXZDBOJJQDLZ-UHFFFAOYSA-N -1 3 242.710 0.978 20 0 BCADHM CC(=O)c1ccc(C(=O)N2CC[C@H]2CO)cc1[O-] ZINC000889152320 583970258 /nfs/dbraw/zinc/97/02/58/583970258.db2.gz PMYXCYYMQPIXCM-JTQLQIEISA-N -1 3 249.266 0.802 20 0 BCADHM CC(=O)[N-]OCC(=O)c1cc(C)n(C)c1C ZINC000753116273 583971985 /nfs/dbraw/zinc/97/19/85/583971985.db2.gz AANDITMARHZPOS-UHFFFAOYSA-N -1 3 224.260 0.892 20 0 BCADHM CC(C)(C)NC(=O)CO[N-]C(=O)C(C)(C)C ZINC000729264663 583988216 /nfs/dbraw/zinc/98/82/16/583988216.db2.gz WXUSYLVWGVLBRX-UHFFFAOYSA-N -1 3 230.308 0.995 20 0 BCADHM COCCOC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000729293747 583989519 /nfs/dbraw/zinc/98/95/19/583989519.db2.gz KDYVKZIPMMXUKU-UHFFFAOYSA-N -1 3 249.222 0.373 20 0 BCADHM CC(=O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000729293383 583989522 /nfs/dbraw/zinc/98/95/22/583989522.db2.gz HFIAJBPOZZGFRH-UHFFFAOYSA-N -1 3 247.206 0.316 20 0 BCADHM CN(C)C[C@H](O)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858344403 588947827 /nfs/dbraw/zinc/94/78/27/588947827.db2.gz ZNAKGKIHYDWUHN-ZCFIWIBFSA-N -1 3 246.698 0.170 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C1(C2CC2)CC1 ZINC000897587807 584023029 /nfs/dbraw/zinc/02/30/29/584023029.db2.gz GXCDCJRKBJYONH-UHFFFAOYSA-N -1 3 213.277 0.995 20 0 BCADHM CC(C)(C)CCN1CC2(C1)NC(=O)[N-]C2=O ZINC000897904719 584060023 /nfs/dbraw/zinc/06/00/23/584060023.db2.gz ADTBKOBQOHTBFF-UHFFFAOYSA-N -1 3 225.292 0.316 20 0 BCADHM CN(C)CCN(C)c1cc(Cl)[n-]c(=O)n1 ZINC000858431697 588954471 /nfs/dbraw/zinc/95/44/71/588954471.db2.gz FYOYFCXHNOKBFD-UHFFFAOYSA-N -1 3 230.699 0.833 20 0 BCADHM O=C(c1ccon1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898210008 584092410 /nfs/dbraw/zinc/09/24/10/584092410.db2.gz ALVXOUUJZNDAEC-SSDOTTSWSA-N -1 3 248.242 0.733 20 0 BCADHM Cc1cc(=O)[n-]c(CNC(=O)c2cccn2C)n1 ZINC000898265284 584103733 /nfs/dbraw/zinc/10/37/33/584103733.db2.gz XCLRNLHDUYZEEA-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CCCCOC(=O)C[N-]C(=O)C(F)F ZINC000787332412 584118578 /nfs/dbraw/zinc/11/85/78/584118578.db2.gz NUORSYSIVUCNNI-UHFFFAOYSA-N -1 3 209.192 0.711 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)nn1 ZINC000866496562 584119874 /nfs/dbraw/zinc/11/98/74/584119874.db2.gz REBPQLXTIZESSF-VXNVDRBHSA-N -1 3 241.316 0.719 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CC=CCC1 ZINC000898730339 584155656 /nfs/dbraw/zinc/15/56/56/584155656.db2.gz YRCFSAIQDWYAOC-GHMZBOCLSA-N -1 3 249.314 0.971 20 0 BCADHM CC[C@H](C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898730942 584155772 /nfs/dbraw/zinc/15/57/72/584155772.db2.gz MHHDEDKYLXZVBN-DTWKUNHWSA-N -1 3 225.292 0.661 20 0 BCADHM CSCCC(=O)NCCCc1c[n-][nH]c1=O ZINC000898732188 584155804 /nfs/dbraw/zinc/15/58/04/584155804.db2.gz QHRWSUUBMPQOEE-MRVPVSSYSA-N -1 3 243.332 0.368 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CC=CCC1 ZINC000898730342 584155846 /nfs/dbraw/zinc/15/58/46/584155846.db2.gz YRCFSAIQDWYAOC-MNOVXSKESA-N -1 3 249.314 0.971 20 0 BCADHM CS[C@H](C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898729135 584155868 /nfs/dbraw/zinc/15/58/68/584155868.db2.gz DLMDYZMTMWDGTI-HTQZYQBOSA-N -1 3 243.332 0.366 20 0 BCADHM CC[C@@H](C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898730945 584155933 /nfs/dbraw/zinc/15/59/33/584155933.db2.gz MHHDEDKYLXZVBN-RKDXNWHRSA-N -1 3 225.292 0.661 20 0 BCADHM CCCC(=O)NCCCc1c[n-][nH]c1=O ZINC000898729183 584155980 /nfs/dbraw/zinc/15/59/80/584155980.db2.gz PNBAMTPQROWQNY-MRVPVSSYSA-N -1 3 211.265 0.415 20 0 BCADHM CC(C)=CC(=O)NCCCc1c[n-][nH]c1=O ZINC000898729097 584156144 /nfs/dbraw/zinc/15/61/44/584156144.db2.gz CQZWMLUZTMYGLB-SECBINFHSA-N -1 3 223.276 0.581 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898728668 584156177 /nfs/dbraw/zinc/15/61/77/584156177.db2.gz NBWGNZZKJRXEFG-HRDYMLBCSA-N -1 3 223.276 0.271 20 0 BCADHM CC(C)[C@@H](C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898733671 584156208 /nfs/dbraw/zinc/15/62/08/584156208.db2.gz TWFWUNMQKSZJJO-NXEZZACHSA-N -1 3 239.319 0.907 20 0 BCADHM Cc1coc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC000898745052 584156493 /nfs/dbraw/zinc/15/64/93/584156493.db2.gz LFGWIFNRFIHYOF-SECBINFHSA-N -1 3 249.270 0.830 20 0 BCADHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)co1 ZINC000898738870 584156938 /nfs/dbraw/zinc/15/69/38/584156938.db2.gz HAYCVFMCUOXWNN-SECBINFHSA-N -1 3 249.270 0.830 20 0 BCADHM CC(F)(F)CC(=O)NCCCc1c[n-][nH]c1=O ZINC000898739715 584157383 /nfs/dbraw/zinc/15/73/83/584157383.db2.gz LZHUUUCPVTZBNO-ZETCQYMHSA-N -1 3 247.245 0.660 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1C[C@@H]1C1CC1 ZINC000898738448 584157415 /nfs/dbraw/zinc/15/74/15/584157415.db2.gz ASAKLZATEVMXPL-AXFHLTTASA-N -1 3 249.314 0.661 20 0 BCADHM Cc1cc(C(=O)NCCCc2c[n-][nH]c2=O)co1 ZINC000898738872 584157464 /nfs/dbraw/zinc/15/74/64/584157464.db2.gz HAYCVFMCUOXWNN-VIFPVBQESA-N -1 3 249.270 0.830 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H](CO)c1cncn1C ZINC000898895213 584164973 /nfs/dbraw/zinc/16/49/73/584164973.db2.gz FVFJZQAQKJUKSW-SSDOTTSWSA-N -1 3 247.245 0.615 20 0 BCADHM Cc1cccc(CO[N-]C(=O)C2CC(=O)C2)n1 ZINC000898933458 584166603 /nfs/dbraw/zinc/16/66/03/584166603.db2.gz BXPBYNJAZGMJPK-UHFFFAOYSA-N -1 3 234.255 0.917 20 0 BCADHM CC1(C)CC[C@H](CC(=O)[N-]OCCO)OC1 ZINC000898939211 584167616 /nfs/dbraw/zinc/16/76/16/584167616.db2.gz LIPNGBGCYWOCAK-SECBINFHSA-N -1 3 231.292 0.622 20 0 BCADHM C[C@@H]1C(=O)N([N-]C(=O)CC(C)(F)F)C(=O)N1C ZINC000899034999 584172168 /nfs/dbraw/zinc/17/21/68/584172168.db2.gz HWOZMXRJQLALCL-RXMQYKEDSA-N -1 3 249.217 0.345 20 0 BCADHM Cn1ncc(CNc2cc(Cl)nc(=O)[n-]2)n1 ZINC000858545656 588964214 /nfs/dbraw/zinc/96/42/14/588964214.db2.gz SXPCZOXYZVQCQE-UHFFFAOYSA-N -1 3 240.654 0.576 20 0 BCADHM CN(C)C[C@@H](CO)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858545675 588964373 /nfs/dbraw/zinc/96/43/73/588964373.db2.gz HWRTUQMGUKUCCQ-LURJTMIESA-N -1 3 246.698 0.170 20 0 BCADHM CN(C(=O)c1cc(=O)[n-]cn1)[C@@H]1CCC[C@H]1O ZINC000899337466 584197153 /nfs/dbraw/zinc/19/71/53/584197153.db2.gz GUTGZNZXBGCXPD-RKDXNWHRSA-N -1 3 237.259 0.168 20 0 BCADHM C[C@H](CO)n1[n-]cc2c(=O)ccc(F)c-2c1=O ZINC000899353240 584200314 /nfs/dbraw/zinc/20/03/14/584200314.db2.gz KHAIBIHLWFLHFG-ZCFIWIBFSA-N -1 3 238.218 0.795 20 0 BCADHM C[C@H](CO)n1ncc2c([O-])ccc(F)c2c1=O ZINC000899353240 584200315 /nfs/dbraw/zinc/20/03/15/584200315.db2.gz KHAIBIHLWFLHFG-ZCFIWIBFSA-N -1 3 238.218 0.795 20 0 BCADHM O=C(NC[C@H]1CC2(CCC2)CO1)c1c[n-]nn1 ZINC000899427056 584215430 /nfs/dbraw/zinc/21/54/30/584215430.db2.gz DFSOLENRYHSARB-MRVPVSSYSA-N -1 3 236.275 0.494 20 0 BCADHM O=C(NC[C@H]1CC2(CCC2)CO1)c1cnn[n-]1 ZINC000899427056 584215431 /nfs/dbraw/zinc/21/54/31/584215431.db2.gz DFSOLENRYHSARB-MRVPVSSYSA-N -1 3 236.275 0.494 20 0 BCADHM O=C(NC[C@H]1CC2(CCC2)CO1)c1cn[n-]n1 ZINC000899427056 584215432 /nfs/dbraw/zinc/21/54/32/584215432.db2.gz DFSOLENRYHSARB-MRVPVSSYSA-N -1 3 236.275 0.494 20 0 BCADHM CCC/C=C/[C@@H](O)C(=O)[N-]C1=NCCS1 ZINC000900005692 584264224 /nfs/dbraw/zinc/26/42/24/584264224.db2.gz GNRVMJSMJIQXOX-WTSVBCDHSA-N -1 3 228.317 0.923 20 0 BCADHM C/C=C\[C@@H](O)C(=O)[N-]C1=NCCS1 ZINC000900006164 584264384 /nfs/dbraw/zinc/26/43/84/584264384.db2.gz QKNVTVFUOHDYKZ-VROIDLATSA-N -1 3 200.263 0.142 20 0 BCADHM COc1nccc(CNC2(C(=O)[O-])CC2)c1F ZINC000900022919 584267450 /nfs/dbraw/zinc/26/74/50/584267450.db2.gz QYNHKGRZSZMTPL-UHFFFAOYSA-N -1 3 240.234 0.936 20 0 BCADHM CC=C[C@H](O)C(=O)Nc1nnc(SC)[n-]1 ZINC000900440444 584311168 /nfs/dbraw/zinc/31/11/68/584311168.db2.gz GPZXIBZYJBTBGG-XUELKZDXSA-N -1 3 228.277 0.402 20 0 BCADHM CC=C[C@H](O)C(=O)Nc1nc(SC)n[n-]1 ZINC000900440444 584311170 /nfs/dbraw/zinc/31/11/70/584311170.db2.gz GPZXIBZYJBTBGG-XUELKZDXSA-N -1 3 228.277 0.402 20 0 BCADHM CC=C[C@H](O)C(=O)Nc1n[n-]c(SC)n1 ZINC000900440444 584311172 /nfs/dbraw/zinc/31/11/72/584311172.db2.gz GPZXIBZYJBTBGG-XUELKZDXSA-N -1 3 228.277 0.402 20 0 BCADHM O=C(CCF)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000900624214 584333123 /nfs/dbraw/zinc/33/31/23/584333123.db2.gz FYLULMCUPUCEIX-UHFFFAOYSA-N -1 3 249.249 0.843 20 0 BCADHM O=C(CCF)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000900624214 584333125 /nfs/dbraw/zinc/33/31/25/584333125.db2.gz FYLULMCUPUCEIX-UHFFFAOYSA-N -1 3 249.249 0.843 20 0 BCADHM O=C(Nc1nnn[n-]1)[C@@H]1CC[C@@H]2CCCCN21 ZINC000900746977 584348760 /nfs/dbraw/zinc/34/87/60/584348760.db2.gz SSYUPHWEGQTIRR-YUMQZZPRSA-N -1 3 236.279 0.155 20 0 BCADHM O=C(Nc1nnn[n-]1)[C@H]1CC[C@@H]2CCCCN12 ZINC000900746973 584348891 /nfs/dbraw/zinc/34/88/91/584348891.db2.gz SSYUPHWEGQTIRR-JGVFFNPUSA-N -1 3 236.279 0.155 20 0 BCADHM CC(C)NCC(=O)[N-]S(=O)(=O)c1ccoc1 ZINC000901034244 584376134 /nfs/dbraw/zinc/37/61/34/584376134.db2.gz OSRVSLUKFLZCCJ-UHFFFAOYSA-N -1 3 246.288 0.083 20 0 BCADHM C[C@H](C(=O)[N-]S(=O)(=O)CCN)C1CCCC1 ZINC000901099479 584381001 /nfs/dbraw/zinc/38/10/01/584381001.db2.gz BHMZATPSAZMLBQ-QMMMGPOBSA-N -1 3 248.348 0.217 20 0 BCADHM C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)CCN)C1 ZINC000901100373 584381921 /nfs/dbraw/zinc/38/19/21/584381921.db2.gz WNLMVLJXYKAAEN-RKDXNWHRSA-N -1 3 248.348 0.217 20 0 BCADHM CCCc1cc(C(=O)[N-]c2ncnn2C)no1 ZINC000901086342 584383334 /nfs/dbraw/zinc/38/33/34/584383334.db2.gz QIBNOVLRZBSVRK-UHFFFAOYSA-N -1 3 235.247 0.430 20 0 BCADHM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)CCN ZINC000901096164 584384798 /nfs/dbraw/zinc/38/47/98/584384798.db2.gz MSLKIXBPUYAABL-DTWKUNHWSA-N -1 3 248.348 0.217 20 0 BCADHM C[C@@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)CCN)C1 ZINC000901100671 584385232 /nfs/dbraw/zinc/38/52/32/584385232.db2.gz YQVMWYYVXBBLAH-XZZQCUQZSA-N -1 3 246.332 0.138 20 0 BCADHM C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)CCN)C1 ZINC000901100668 584385445 /nfs/dbraw/zinc/38/54/45/584385445.db2.gz YQVMWYYVXBBLAH-FZGDARCMSA-N -1 3 246.332 0.138 20 0 BCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCN ZINC000901101425 584388100 /nfs/dbraw/zinc/38/81/00/584388100.db2.gz NEXXXPNPURLAFQ-HTQZYQBOSA-N -1 3 248.348 0.073 20 0 BCADHM CC(C)(O)[C@H](O)C(=O)Nc1cccc([O-])c1F ZINC000901241764 584406804 /nfs/dbraw/zinc/40/68/04/584406804.db2.gz AEDRUUUEDLSTLX-SECBINFHSA-N -1 3 243.234 0.602 20 0 BCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OC1CCCC1 ZINC000901329943 584424483 /nfs/dbraw/zinc/42/44/83/584424483.db2.gz OSZJMAWMXJVPBZ-SFYZADRCSA-N -1 3 212.249 0.098 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)[C@H](CC)N(C)C)C(=O)[O-] ZINC000901478246 584449017 /nfs/dbraw/zinc/44/90/17/584449017.db2.gz WENQCSVRLCIQNH-GUBZILKMSA-N -1 3 244.335 0.942 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@H](CC)N(C)C ZINC000901488569 584452222 /nfs/dbraw/zinc/45/22/22/584452222.db2.gz GACWTWJSKYKIEX-VIFPVBQESA-N -1 3 230.308 0.650 20 0 BCADHM CC(C)(NCc1cc2n(n1)CCC2)C(=O)[O-] ZINC000901488390 584452410 /nfs/dbraw/zinc/45/24/10/584452410.db2.gz JTEUKITXSMGLFL-UHFFFAOYSA-N -1 3 223.276 0.782 20 0 BCADHM C[C@](CCF)(NCc1cncnc1)C(=O)[O-] ZINC000901916098 584503870 /nfs/dbraw/zinc/50/38/70/584503870.db2.gz RWPCHIQEKHEQKT-SNVBAGLBSA-N -1 3 227.239 0.769 20 0 BCADHM Cn1ccnc1CN[C@](C)(CCF)C(=O)[O-] ZINC000901918373 584504362 /nfs/dbraw/zinc/50/43/62/584504362.db2.gz ANTKOXGWTLFCEY-SNVBAGLBSA-N -1 3 229.255 0.713 20 0 BCADHM CC[C@H](C(=O)N(C)[C@@H](CC)C(=O)[O-])N(C)C ZINC000902019769 584514413 /nfs/dbraw/zinc/51/44/13/584514413.db2.gz STJBAOULJZWGMW-BDAKNGLRSA-N -1 3 230.308 0.648 20 0 BCADHM CCN(CC)CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000902661191 584650968 /nfs/dbraw/zinc/65/09/68/584650968.db2.gz JUSOBITVGMVXLB-KYZUINATSA-N -1 3 228.292 0.308 20 0 BCADHM COCC(COC)O[N-]C(=O)C(C)(C)C ZINC000902703942 584658692 /nfs/dbraw/zinc/65/86/92/584658692.db2.gz HBOOCBNOOKNAIW-UHFFFAOYSA-N -1 3 219.281 0.742 20 0 BCADHM CC(=O)[N-]OCCOC1CCSCC1 ZINC000902703603 584658702 /nfs/dbraw/zinc/65/87/02/584658702.db2.gz RSRDIXILVRMFIU-UHFFFAOYSA-N -1 3 219.306 0.966 20 0 BCADHM CCOC([O-])=NOCCc1nnc(C)o1 ZINC000902755110 584665054 /nfs/dbraw/zinc/66/50/54/584665054.db2.gz KFKTXYVFQQSHJD-UHFFFAOYSA-N -1 3 215.209 0.598 20 0 BCADHM CCOC(=O)[N-]OCCc1nnc(C)o1 ZINC000902755110 584665055 /nfs/dbraw/zinc/66/50/55/584665055.db2.gz KFKTXYVFQQSHJD-UHFFFAOYSA-N -1 3 215.209 0.598 20 0 BCADHM O=C(NCc1cncc([O-])c1)OC1COC1 ZINC000902984871 584708907 /nfs/dbraw/zinc/70/89/07/584708907.db2.gz CDJFVYCMTKIPDP-UHFFFAOYSA-N -1 3 224.216 0.412 20 0 BCADHM CC(C)C[C@H](C(=O)[O-])N1CC[C@H](O)[C@@H](F)C1 ZINC000903712122 584792854 /nfs/dbraw/zinc/79/28/54/584792854.db2.gz FLVIEZPPSVLRPC-AEJSXWLSSA-N -1 3 233.283 0.890 20 0 BCADHM C[S@](=O)CCN1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936416 584825685 /nfs/dbraw/zinc/82/56/85/584825685.db2.gz JRUYDCNFZYJALO-OWCSCZDJSA-N -1 3 231.317 0.304 20 0 BCADHM CN(C)C(=O)CN1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903935754 584825832 /nfs/dbraw/zinc/82/58/32/584825832.db2.gz NNFFJZYIWPXEEC-KCJUWKMLSA-N -1 3 226.276 0.014 20 0 BCADHM Cn1cncc1CN[C@@]1(C(=O)[O-])CCSC1 ZINC000904007383 584837278 /nfs/dbraw/zinc/83/72/78/584837278.db2.gz GRJDXICBFVUCHN-JTQLQIEISA-N -1 3 241.316 0.470 20 0 BCADHM O=C([O-])[C@@]1(NCc2ccncc2)CCOC1 ZINC000904010556 584837403 /nfs/dbraw/zinc/83/74/03/584837403.db2.gz XTBJGCXECXIXOE-LLVKDONJSA-N -1 3 222.244 0.415 20 0 BCADHM COC[C@](C)(NCc1c[nH]nc1C)C(=O)[O-] ZINC000904009233 584837496 /nfs/dbraw/zinc/83/74/96/584837496.db2.gz ALWXRQRRBHIZLR-JTQLQIEISA-N -1 3 227.264 0.297 20 0 BCADHM Cc1c[nH]nc1CN[C@@]1(C(=O)[O-])CCSC1 ZINC000904007914 584837659 /nfs/dbraw/zinc/83/76/59/584837659.db2.gz WLPFWGCYKURQKL-JTQLQIEISA-N -1 3 241.316 0.768 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000904191043 584848714 /nfs/dbraw/zinc/84/87/14/584848714.db2.gz OLHMNTLENYNUIN-PRJMDXOYSA-N -1 3 221.264 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@]12CCC[C@H]1OCC2 ZINC000904190087 584848801 /nfs/dbraw/zinc/84/88/01/584848801.db2.gz DSVUETIJXIQSTD-XCBNKYQSSA-N -1 3 237.263 0.108 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904190474 584848827 /nfs/dbraw/zinc/84/88/27/584848827.db2.gz HXXLGCWDEQUCRR-HSNKUXOKSA-N -1 3 239.279 0.208 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1(C2CC2)CC1 ZINC000904189532 584848997 /nfs/dbraw/zinc/84/89/97/584848997.db2.gz QIUSIPQRCQBYEB-UHFFFAOYSA-N -1 3 207.237 0.339 20 0 BCADHM C[C@H](CC(=O)[N-]c1nnnn1C)c1ccco1 ZINC000904191510 584849209 /nfs/dbraw/zinc/84/92/09/584849209.db2.gz SICXZWCHCDLLAP-SSDOTTSWSA-N -1 3 235.247 0.935 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1(C(F)F)CC1 ZINC000904191241 584849303 /nfs/dbraw/zinc/84/93/03/584849303.db2.gz IHYMJCXISBDONE-UHFFFAOYSA-N -1 3 217.179 0.194 20 0 BCADHM Cn1nnnc1[N-]C(=O)CSC(F)F ZINC000904191648 584849331 /nfs/dbraw/zinc/84/93/31/584849331.db2.gz NGKONZYMAJEHEO-UHFFFAOYSA-N -1 3 223.208 0.104 20 0 BCADHM Cn1nnnc1[N-]C(=O)C(F)=C1CCC1 ZINC000904191941 584849408 /nfs/dbraw/zinc/84/94/08/584849408.db2.gz UDLZPMJEYQKWBT-UHFFFAOYSA-N -1 3 211.200 0.556 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000904191352 584849450 /nfs/dbraw/zinc/84/94/50/584849450.db2.gz KNKPHVKLESALQX-HRDYMLBCSA-N -1 3 233.275 0.751 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000904194024 584849630 /nfs/dbraw/zinc/84/96/30/584849630.db2.gz QPSVDWBLWPQAGX-VHSXEESVSA-N -1 3 243.270 0.952 20 0 BCADHM CC[C@H](C)CCC(=O)[N-]c1nnnn1C ZINC000904193802 584849740 /nfs/dbraw/zinc/84/97/40/584849740.db2.gz OOYQRSCBCAGFLM-ZETCQYMHSA-N -1 3 211.269 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)COc1ccsc1 ZINC000904193147 584849775 /nfs/dbraw/zinc/84/97/75/584849775.db2.gz BCUVOVGLLGBSDM-UHFFFAOYSA-N -1 3 239.260 0.289 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCC(F)F ZINC000904193600 584849946 /nfs/dbraw/zinc/84/99/46/584849946.db2.gz LKQGBQOFBFZPOO-UHFFFAOYSA-N -1 3 205.168 0.194 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCCC1CC1 ZINC000904194182 584849950 /nfs/dbraw/zinc/84/99/50/584849950.db2.gz WSDCOHPTQRIWNL-UHFFFAOYSA-N -1 3 209.253 0.729 20 0 BCADHM CC(C)[C@@H]1C[C@H]1C(=O)[N-]c1nnnn1C ZINC000904194737 584850001 /nfs/dbraw/zinc/85/00/01/584850001.db2.gz DTCCXCKHFKGYLQ-NKWVEPMBSA-N -1 3 209.253 0.441 20 0 BCADHM CCc1ccccc1CC(=O)[N-]c1nnnn1C ZINC000904194768 584850009 /nfs/dbraw/zinc/85/00/09/584850009.db2.gz FORLKNQNFLMQLZ-UHFFFAOYSA-N -1 3 245.286 0.954 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCc1ccoc1 ZINC000904194441 584850349 /nfs/dbraw/zinc/85/03/49/584850349.db2.gz GLZKEHHOVRMSHU-UHFFFAOYSA-N -1 3 221.220 0.374 20 0 BCADHM C[C@@H](Oc1cccnc1)C(=O)[N-]c1nnnn1C ZINC000904198520 584850536 /nfs/dbraw/zinc/85/05/36/584850536.db2.gz GOSXRFQDWCHRFL-SSDOTTSWSA-N -1 3 248.246 0.011 20 0 BCADHM C[C@H](C(=O)[N-]c1nnnn1C)C1CCCC1 ZINC000904195950 584850776 /nfs/dbraw/zinc/85/07/76/584850776.db2.gz YSPHQTCABRPABG-ZETCQYMHSA-N -1 3 223.280 0.975 20 0 BCADHM C[C@@H](CC(=O)[N-]c1nnnn1C)C1CC1 ZINC000904199497 584851117 /nfs/dbraw/zinc/85/11/17/584851117.db2.gz LFNIAIYJNGIWLJ-LURJTMIESA-N -1 3 209.253 0.585 20 0 BCADHM C[C@H](CC(=O)[N-]c1nnnn1C)n1cccc1 ZINC000904200041 584851119 /nfs/dbraw/zinc/85/11/19/584851119.db2.gz PJGCPXGSTJQYQQ-MRVPVSSYSA-N -1 3 234.263 0.601 20 0 BCADHM Cc1cc(C)n(CCC(=O)[N-]c2nnnn2C)n1 ZINC000904203673 584851530 /nfs/dbraw/zinc/85/15/30/584851530.db2.gz CIOVIHOKRJGUQB-UHFFFAOYSA-N -1 3 249.278 0.052 20 0 BCADHM COC[C@@H](C)N1CCC(NC(=O)[O-])CC1 ZINC000828897954 584904666 /nfs/dbraw/zinc/90/46/66/584904666.db2.gz WCSUXNCLNRBIRA-MRVPVSSYSA-N -1 3 216.281 0.753 20 0 BCADHM COCCN1CC[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000730788490 584915781 /nfs/dbraw/zinc/91/57/81/584915781.db2.gz URCCFIWDYJNRTH-ZETCQYMHSA-N -1 3 240.225 0.386 20 0 BCADHM Cc1cc(NC([O-])=NOCC(C)(C)O)no1 ZINC000788029714 584916314 /nfs/dbraw/zinc/91/63/14/584916314.db2.gz PNUODFWWGIUKJD-UHFFFAOYSA-N -1 3 229.236 0.807 20 0 BCADHM Cc1cc(NC(=O)[N-]OCC(C)(C)O)no1 ZINC000788029714 584916315 /nfs/dbraw/zinc/91/63/15/584916315.db2.gz PNUODFWWGIUKJD-UHFFFAOYSA-N -1 3 229.236 0.807 20 0 BCADHM CN1CCCC[C@H]1C(=O)[N-]C1=NCCS1 ZINC000731868431 584930514 /nfs/dbraw/zinc/93/05/14/584930514.db2.gz YXNKUBBHCVJXNF-QMMMGPOBSA-N -1 3 227.333 0.690 20 0 BCADHM CC(C)(C)CCOC(=O)CN1CC(=O)[N-]C1=O ZINC000732357516 584936207 /nfs/dbraw/zinc/93/62/07/584936207.db2.gz OQNIEUGJHLQISV-UHFFFAOYSA-N -1 3 242.275 0.518 20 0 BCADHM CCN(C)C(=O)COC(=O)c1cncc([O-])c1 ZINC000732392538 584936725 /nfs/dbraw/zinc/93/67/25/584936725.db2.gz YFNMTZUGYADXJO-UHFFFAOYSA-N -1 3 238.243 0.422 20 0 BCADHM CN(CC(=O)[N-]C1=NCCS1)C(=O)C1CC1 ZINC000733128760 584943463 /nfs/dbraw/zinc/94/34/63/584943463.db2.gz NVSWVZJQGISDIV-UHFFFAOYSA-N -1 3 241.316 0.074 20 0 BCADHM CC[C@@H](C)CS(=O)(=O)[N-][C@H]1CCOC1=O ZINC000733311121 584946843 /nfs/dbraw/zinc/94/68/43/584946843.db2.gz DTOULHHZCGBGMQ-SFYZADRCSA-N -1 3 235.305 0.267 20 0 BCADHM CCCS(=O)(=O)[N-]C[C@H](OC)C(F)(F)F ZINC000733320568 584947007 /nfs/dbraw/zinc/94/70/07/584947007.db2.gz QSUMHPHEPVHEKP-LURJTMIESA-N -1 3 249.254 0.893 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)O[C@@H]1C=CCCC1 ZINC000733497570 584949920 /nfs/dbraw/zinc/94/99/20/584949920.db2.gz YYOAAEBYNYIVSR-MRVPVSSYSA-N -1 3 238.243 0.190 20 0 BCADHM CCCN(C)CC(=O)N(CC(=O)[O-])CC(C)C ZINC000737827366 584953752 /nfs/dbraw/zinc/95/37/52/584953752.db2.gz YOCNFTSXIPYQMY-UHFFFAOYSA-N -1 3 244.335 0.897 20 0 BCADHM CCCNC(=O)CNC1CCN(C(=O)[O-])CC1 ZINC000737828655 584970105 /nfs/dbraw/zinc/97/01/05/584970105.db2.gz ATTWIRCRLHTXNN-UHFFFAOYSA-N -1 3 243.307 0.245 20 0 BCADHM CC(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000735497721 584978233 /nfs/dbraw/zinc/97/82/33/584978233.db2.gz UTNQLUSCLZJHNO-UHFFFAOYSA-N -1 3 248.246 0.237 20 0 BCADHM CC(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000735497721 584978234 /nfs/dbraw/zinc/97/82/34/584978234.db2.gz UTNQLUSCLZJHNO-UHFFFAOYSA-N -1 3 248.246 0.237 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736234204 584992629 /nfs/dbraw/zinc/99/26/29/584992629.db2.gz IOAUYRJJXUSALZ-RNFRBKRXSA-N -1 3 244.258 0.278 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736234204 584992630 /nfs/dbraw/zinc/99/26/30/584992630.db2.gz IOAUYRJJXUSALZ-RNFRBKRXSA-N -1 3 244.258 0.278 20 0 BCADHM CC(C)(NCc1cnc2ccnn2c1)C(=O)[O-] ZINC000736338976 584998299 /nfs/dbraw/zinc/99/82/99/584998299.db2.gz ADXNXIOXBIHSJB-UHFFFAOYSA-N -1 3 234.259 0.682 20 0 BCADHM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H](C)N(C)C ZINC000736366425 584999438 /nfs/dbraw/zinc/99/94/38/584999438.db2.gz CBVXXOZRJWQICS-RKDXNWHRSA-N -1 3 245.323 0.345 20 0 BCADHM CC(C)CN(CCC(=O)[O-])CC1OCCO1 ZINC000736433088 585001360 /nfs/dbraw/zinc/00/13/60/585001360.db2.gz VMBLYQURCWXNFG-UHFFFAOYSA-N -1 3 231.292 0.792 20 0 BCADHM CC(C)N(C)CC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000736455109 585002774 /nfs/dbraw/zinc/00/27/74/585002774.db2.gz NUVYRIKPWFPBQX-SNVBAGLBSA-N -1 3 244.335 0.942 20 0 BCADHM CC(C)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736456096 585003217 /nfs/dbraw/zinc/00/32/17/585003217.db2.gz YGOUITFLCWNDKS-SNVBAGLBSA-N -1 3 242.319 0.650 20 0 BCADHM C[C@H](CN(CC(=O)N(C)C)C1CC1)C(=O)[O-] ZINC000736576889 585006362 /nfs/dbraw/zinc/00/63/62/585006362.db2.gz OUUFRGSAMQXXER-MRVPVSSYSA-N -1 3 228.292 0.260 20 0 BCADHM C[C@H](CNC(=O)C(C)(C)NC(=O)[O-])N(C)C ZINC000736592648 585006620 /nfs/dbraw/zinc/00/66/20/585006620.db2.gz HNIHOMHWLGZWJX-SSDOTTSWSA-N -1 3 231.296 0.099 20 0 BCADHM C[C@@H](CNC(=O)C(C)(C)NC(=O)[O-])N(C)C ZINC000736592649 585006894 /nfs/dbraw/zinc/00/68/94/585006894.db2.gz HNIHOMHWLGZWJX-ZETCQYMHSA-N -1 3 231.296 0.099 20 0 BCADHM C[C@H](CNC(=O)CCSCC(=O)[O-])N(C)C ZINC000736596212 585007177 /nfs/dbraw/zinc/00/71/77/585007177.db2.gz ZFIKRMVAESBQJL-MRVPVSSYSA-N -1 3 248.348 0.261 20 0 BCADHM C[C@@H](CNC(=O)CCCN(C)C(=O)[O-])N(C)C ZINC000736595391 585007286 /nfs/dbraw/zinc/00/72/86/585007286.db2.gz ILZQUIHEIWFZSC-VIFPVBQESA-N -1 3 245.323 0.443 20 0 BCADHM C[C@@H](CNC(=O)[O-])CN1CCN(C)CC1 ZINC000736598513 585007358 /nfs/dbraw/zinc/00/73/58/585007358.db2.gz KQRQTACPTDALPJ-VIFPVBQESA-N -1 3 215.297 0.138 20 0 BCADHM C[C@H](CNC(=O)[O-])CN1CCN(C)CC1 ZINC000736598512 585007539 /nfs/dbraw/zinc/00/75/39/585007539.db2.gz KQRQTACPTDALPJ-SECBINFHSA-N -1 3 215.297 0.138 20 0 BCADHM CC(C)N(CCC(=O)[O-])CN1C[C@@H](C)CC1=O ZINC000736750027 585011465 /nfs/dbraw/zinc/01/14/65/585011465.db2.gz NIXIZERXJZULQY-JTQLQIEISA-N -1 3 242.319 0.997 20 0 BCADHM C[C@@H]1C[C@H](C)CN1CC(=O)NCCC(=O)[O-] ZINC000736756552 585011664 /nfs/dbraw/zinc/01/16/64/585011664.db2.gz UARKPRQHALHCRV-DTWKUNHWSA-N -1 3 228.292 0.308 20 0 BCADHM CC[C@@H]1CN(CCC(=O)[O-])CCN1C[C@@H](C)O ZINC000736945378 585019660 /nfs/dbraw/zinc/01/96/60/585019660.db2.gz WPFCSSYTWBKSCE-GHMZBOCLSA-N -1 3 244.335 0.238 20 0 BCADHM CCCN(C)CC(=O)N(CC)CCC(=O)[O-] ZINC000737007380 585022232 /nfs/dbraw/zinc/02/22/32/585022232.db2.gz GMKRWHDLRNFAPG-UHFFFAOYSA-N -1 3 230.308 0.651 20 0 BCADHM CCNC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000737123797 585026034 /nfs/dbraw/zinc/02/60/34/585026034.db2.gz ICPHXWLQJKJQSH-MRVPVSSYSA-N -1 3 228.292 0.308 20 0 BCADHM CS[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737169908 585026728 /nfs/dbraw/zinc/02/67/28/585026728.db2.gz FWSXAFZHZAFJMW-QMMMGPOBSA-N -1 3 249.299 0.756 20 0 BCADHM CS[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737169908 585026729 /nfs/dbraw/zinc/02/67/29/585026729.db2.gz FWSXAFZHZAFJMW-QMMMGPOBSA-N -1 3 249.299 0.756 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccncc1 ZINC000788081358 585027196 /nfs/dbraw/zinc/02/71/96/585027196.db2.gz GDLMDEOOBRKFFJ-SECBINFHSA-N -1 3 237.259 0.593 20 0 BCADHM CN(C)[C@@H]1CCCN(C(=O)CCNC(=O)[O-])C1 ZINC000737359234 585030633 /nfs/dbraw/zinc/03/06/33/585030633.db2.gz OSTBKIYFBCUNAY-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM CN(C)[C@@H]1CCN(C(=O)C(C)(C)NC(=O)[O-])C1 ZINC000737358888 585030642 /nfs/dbraw/zinc/03/06/42/585030642.db2.gz MPBKUDHWRKBSKC-MRVPVSSYSA-N -1 3 243.307 0.195 20 0 BCADHM CN(CCN1CCCC1)C(=O)CN(C)C(=O)[O-] ZINC000737385888 585031183 /nfs/dbraw/zinc/03/11/83/585031183.db2.gz GGFZWVFYYHBOLS-UHFFFAOYSA-N -1 3 243.307 0.150 20 0 BCADHM CN1CCC[C@@H](CNC(=O)CCNC(=O)[O-])C1 ZINC000737513992 585034619 /nfs/dbraw/zinc/03/46/19/585034619.db2.gz BASLHKWAFVOSCF-VIFPVBQESA-N -1 3 243.307 0.102 20 0 BCADHM CN1CCC(NC(=O)CCCNC(=O)[O-])CC1 ZINC000737515372 585034655 /nfs/dbraw/zinc/03/46/55/585034655.db2.gz SMLPGFJNDJMWBA-UHFFFAOYSA-N -1 3 243.307 0.245 20 0 BCADHM CN1CCC[C@@H]1CNC(=O)C(C)(C)NC(=O)[O-] ZINC000737522829 585035113 /nfs/dbraw/zinc/03/51/13/585035113.db2.gz QKAQZYZKRMUTSU-MRVPVSSYSA-N -1 3 243.307 0.243 20 0 BCADHM O=C(CC1CC1)Nc1ccncc1-c1nnn[n-]1 ZINC000737813312 585038298 /nfs/dbraw/zinc/03/82/98/585038298.db2.gz KCVQBMGCJWRDMC-UHFFFAOYSA-N -1 3 244.258 0.422 20 0 BCADHM O=C(CC1CC1)Nc1ccncc1-c1nn[n-]n1 ZINC000737813312 585038299 /nfs/dbraw/zinc/03/82/99/585038299.db2.gz KCVQBMGCJWRDMC-UHFFFAOYSA-N -1 3 244.258 0.422 20 0 BCADHM CCOC[C@H](O)CN1CCCN(C(=O)[O-])CC1 ZINC000737876271 585039051 /nfs/dbraw/zinc/03/90/51/585039051.db2.gz FQAGTTPGYZAZHO-SNVBAGLBSA-N -1 3 246.307 0.070 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)[C@H]1CCSC1 ZINC000788121304 585078245 /nfs/dbraw/zinc/07/82/45/585078245.db2.gz IMGNOYGOQIBRBG-BDAKNGLRSA-N -1 3 231.317 0.824 20 0 BCADHM Cc1nc(C)c(CC(=O)OCC2CC2)c(=O)[n-]1 ZINC000103332518 585095011 /nfs/dbraw/zinc/09/50/11/585095011.db2.gz OROZNKRMPHZWOP-UHFFFAOYSA-N -1 3 236.271 0.882 20 0 BCADHM CC/C(C)=C(\C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000839356713 585101936 /nfs/dbraw/zinc/10/19/36/585101936.db2.gz QPVQAGKCYBAVGO-AATRIKPKSA-N -1 3 237.263 0.589 20 0 BCADHM CCC(C)=C(C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000839356713 585101937 /nfs/dbraw/zinc/10/19/37/585101937.db2.gz QPVQAGKCYBAVGO-AATRIKPKSA-N -1 3 237.263 0.589 20 0 BCADHM CCC(C)=C(C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000839356713 585101938 /nfs/dbraw/zinc/10/19/38/585101938.db2.gz QPVQAGKCYBAVGO-AATRIKPKSA-N -1 3 237.263 0.589 20 0 BCADHM CCCS(=O)(=O)[N-]Cc1nonc1C ZINC000742324839 585124599 /nfs/dbraw/zinc/12/45/99/585124599.db2.gz GAIKWPZTQNDPHU-UHFFFAOYSA-N -1 3 219.266 0.207 20 0 BCADHM CC(C)c1nccn1CCNC(=O)c1c[n-]nn1 ZINC000744395604 585149982 /nfs/dbraw/zinc/14/99/82/585149982.db2.gz PGGVXABHKXZMKH-UHFFFAOYSA-N -1 3 248.290 0.555 20 0 BCADHM CC(C)c1nccn1CCNC(=O)c1cnn[n-]1 ZINC000744395604 585149983 /nfs/dbraw/zinc/14/99/83/585149983.db2.gz PGGVXABHKXZMKH-UHFFFAOYSA-N -1 3 248.290 0.555 20 0 BCADHM CC(C)c1nccn1CCNC(=O)c1cn[n-]n1 ZINC000744395604 585149984 /nfs/dbraw/zinc/14/99/84/585149984.db2.gz PGGVXABHKXZMKH-UHFFFAOYSA-N -1 3 248.290 0.555 20 0 BCADHM CC(C)Cc1cc(NC(=O)c2nnc[n-]2)n(C)n1 ZINC000746148181 585163747 /nfs/dbraw/zinc/16/37/47/585163747.db2.gz ZMLWODHUGCPHDL-UHFFFAOYSA-N -1 3 248.290 0.989 20 0 BCADHM CC(C)Cc1cc(NC(=O)c2nc[n-]n2)n(C)n1 ZINC000746148181 585163748 /nfs/dbraw/zinc/16/37/48/585163748.db2.gz ZMLWODHUGCPHDL-UHFFFAOYSA-N -1 3 248.290 0.989 20 0 BCADHM COCCO[N-]C(=O)CCc1c(C)n[nH]c1C ZINC000748768953 585195570 /nfs/dbraw/zinc/19/55/70/585195570.db2.gz GUOMLFDZAIPSHM-UHFFFAOYSA-N -1 3 241.291 0.653 20 0 BCADHM COC(=O)CC1(NC(=O)c2c[n-]nn2)CCC1 ZINC000750152827 585211341 /nfs/dbraw/zinc/21/13/41/585211341.db2.gz YQGYLBUZHBYYEC-UHFFFAOYSA-N -1 3 238.247 0.020 20 0 BCADHM COC(=O)CC1(NC(=O)c2cnn[n-]2)CCC1 ZINC000750152827 585211342 /nfs/dbraw/zinc/21/13/42/585211342.db2.gz YQGYLBUZHBYYEC-UHFFFAOYSA-N -1 3 238.247 0.020 20 0 BCADHM COC(=O)CC1(NC(=O)c2cn[n-]n2)CCC1 ZINC000750152827 585211343 /nfs/dbraw/zinc/21/13/43/585211343.db2.gz YQGYLBUZHBYYEC-UHFFFAOYSA-N -1 3 238.247 0.020 20 0 BCADHM O=C(OCCOCCO)c1ccc(F)cc1[O-] ZINC000750164671 585211522 /nfs/dbraw/zinc/21/15/22/585211522.db2.gz IQUYLIRPEBRXJW-UHFFFAOYSA-N -1 3 244.218 0.697 20 0 BCADHM CCCCCCOC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000751565091 585232949 /nfs/dbraw/zinc/23/29/49/585232949.db2.gz AHUQHKVLVLRYFT-QMMMGPOBSA-N -1 3 242.275 0.708 20 0 BCADHM CCn1c(SCC[S@@](C)=O)n[n-]c1=O ZINC000752934456 585251594 /nfs/dbraw/zinc/25/15/94/585251594.db2.gz QKTHHYRIDHOAHU-CQSZACIVSA-N -1 3 235.334 0.474 20 0 BCADHM COCCCO[N-]C(=O)CCCn1cccn1 ZINC000805037354 585256408 /nfs/dbraw/zinc/25/64/08/585256408.db2.gz PNEPIGJSLPZBCZ-UHFFFAOYSA-N -1 3 241.291 0.748 20 0 BCADHM COCCO[N-]C(=O)CCc1ccoc1 ZINC000753321110 585256709 /nfs/dbraw/zinc/25/67/09/585256709.db2.gz VJYVTSKEODTMJD-UHFFFAOYSA-N -1 3 213.233 0.906 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1CCSC1 ZINC000805040657 585257484 /nfs/dbraw/zinc/25/74/84/585257484.db2.gz SLULZAQIMRAWOA-QMMMGPOBSA-N -1 3 219.306 0.824 20 0 BCADHM COCCCO[N-]C(=O)c1ccc(=O)n(C)c1 ZINC000805045454 585264277 /nfs/dbraw/zinc/26/42/77/585264277.db2.gz RNNQJQRVWHMCMC-UHFFFAOYSA-N -1 3 240.259 0.083 20 0 BCADHM C[C@@H](CO)NC(=O)c1cc2n[n-]nc2cc1F ZINC000753836745 585270505 /nfs/dbraw/zinc/27/05/05/585270505.db2.gz AHNPPKBGRIPJSS-YFKPBYRVSA-N -1 3 238.222 0.208 20 0 BCADHM CCc1ncc(C(=O)[N-]c2nnn(C)n2)s1 ZINC000755364959 585298257 /nfs/dbraw/zinc/29/82/57/585298257.db2.gz CGVZPMQRWKBDGR-UHFFFAOYSA-N -1 3 238.276 0.481 20 0 BCADHM CC[C@H](C)COC(=O)CN1CC(=O)[N-]C1=O ZINC000756410414 585319516 /nfs/dbraw/zinc/31/95/16/585319516.db2.gz LOHNUYURCFFVCW-ZETCQYMHSA-N -1 3 228.248 0.128 20 0 BCADHM CCc1noc(C)c1NC([O-])=NOCC(N)=O ZINC000757771083 585345420 /nfs/dbraw/zinc/34/54/20/585345420.db2.gz OOCZDBQXMHVYNW-UHFFFAOYSA-N -1 3 242.235 0.084 20 0 BCADHM CCc1noc(C)c1NC(=O)[N-]OCC(N)=O ZINC000757771083 585345421 /nfs/dbraw/zinc/34/54/21/585345421.db2.gz OOCZDBQXMHVYNW-UHFFFAOYSA-N -1 3 242.235 0.084 20 0 BCADHM Cc1cc([O-])ccc1C(=O)O[C@H]1CCNC1=O ZINC000758531234 585357004 /nfs/dbraw/zinc/35/70/04/585357004.db2.gz LWASIGALXJAXCG-JTQLQIEISA-N -1 3 235.239 0.746 20 0 BCADHM Cn1cc(CC(=O)[N-]OCC(F)F)cn1 ZINC000759331592 585367982 /nfs/dbraw/zinc/36/79/82/585367982.db2.gz SKTAYFNHIFHKCQ-UHFFFAOYSA-N -1 3 219.191 0.276 20 0 BCADHM O=C(CCCn1cccn1)[N-]OCC(F)F ZINC000759345139 585370330 /nfs/dbraw/zinc/37/03/30/585370330.db2.gz XPLZKYFIDQWOKR-UHFFFAOYSA-N -1 3 233.218 0.976 20 0 BCADHM CCO[N-]C(=O)Nc1ccc(C(N)=O)cc1F ZINC000759986777 585383661 /nfs/dbraw/zinc/38/36/61/585383661.db2.gz LXOAVGUDVUZSRI-UHFFFAOYSA-N -1 3 241.222 0.998 20 0 BCADHM CC(C)[C@H](C(=O)[N-]OCC(F)F)N(C)C ZINC000760142565 585385970 /nfs/dbraw/zinc/38/59/70/585385970.db2.gz VBZGOYDFLVMMPX-MRVPVSSYSA-N -1 3 224.251 0.886 20 0 BCADHM CCN(CC)CC(=O)[N-]OCC(F)F ZINC000760148939 585386158 /nfs/dbraw/zinc/38/61/58/585386158.db2.gz RHODXIVBVVMUMQ-UHFFFAOYSA-N -1 3 210.224 0.641 20 0 BCADHM CCNC(=O)CN(C)Cc1nc(C)cc(=O)[n-]1 ZINC000761863754 585420914 /nfs/dbraw/zinc/42/09/14/585420914.db2.gz FMLUUUOCGSKNHO-UHFFFAOYSA-N -1 3 238.291 0.059 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NN1CCCC1=O ZINC000762648421 585434789 /nfs/dbraw/zinc/43/47/89/585434789.db2.gz XRZZPUQLUXNLOW-ONEGZZNKSA-N -1 3 247.254 0.454 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NN1CCCC1=O ZINC000762648418 585434948 /nfs/dbraw/zinc/43/49/48/585434948.db2.gz XRZZPUQLUXNLOW-ARJAWSKDSA-N -1 3 247.254 0.454 20 0 BCADHM COCCO[N-]C(=O)C1(N(C)C)CCC1 ZINC000763062691 585442846 /nfs/dbraw/zinc/44/28/46/585442846.db2.gz JWTBXBGVSXPSQF-UHFFFAOYSA-N -1 3 216.281 0.165 20 0 BCADHM CNC(=O)CSCc1nc(C)cc(=O)[n-]1 ZINC000763212445 585444672 /nfs/dbraw/zinc/44/46/72/585444672.db2.gz LWDGKLSTYYXRHI-UHFFFAOYSA-N -1 3 227.289 0.470 20 0 BCADHM CCn1c(=O)[n-]nc1SCC(=O)N(C)OC ZINC000763252062 585445043 /nfs/dbraw/zinc/44/50/43/585445043.db2.gz LMQSRBXOUSRWAG-UHFFFAOYSA-N -1 3 246.292 0.116 20 0 BCADHM O=C([N-]Cc1c[nH]cn1)C(F)(F)C1(O)CCC1 ZINC000764323697 585463820 /nfs/dbraw/zinc/46/38/20/585463820.db2.gz TWJCXSGOPMIZPQ-UHFFFAOYSA-N -1 3 245.229 0.576 20 0 BCADHM O=C([N-]OCC(F)F)[C@H]1C[C@]12CCOC2 ZINC000764378041 585464273 /nfs/dbraw/zinc/46/42/73/585464273.db2.gz HOZBSYUINRWRAA-MUWHJKNJSA-N -1 3 221.203 0.726 20 0 BCADHM O=C([N-]C1=NCCS1)[C@@]1(O)CCSC1 ZINC000765545884 585489338 /nfs/dbraw/zinc/48/93/38/585489338.db2.gz YJEFBNLUHXUZCO-MRVPVSSYSA-N -1 3 232.330 0.073 20 0 BCADHM CC[C@H](C(=O)[N-]OCCOC)N(C)C ZINC000765783887 585492853 /nfs/dbraw/zinc/49/28/53/585492853.db2.gz OJKIFNQFQIKHCY-MRVPVSSYSA-N -1 3 204.270 0.021 20 0 BCADHM CC[C@@H](C(=O)[N-]OCC(F)(F)F)N(C)C ZINC000766762672 585508070 /nfs/dbraw/zinc/50/80/70/585508070.db2.gz NXKBOMFCLNUPPK-LURJTMIESA-N -1 3 228.214 0.937 20 0 BCADHM COCCOCCC(=O)[N-]OCC(F)(F)F ZINC000766768762 585508385 /nfs/dbraw/zinc/50/83/85/585508385.db2.gz MTDIFBSOMYRPDS-UHFFFAOYSA-N -1 3 245.197 0.650 20 0 BCADHM O=C1CCCCN1CSc1n[n-]c(CO)n1 ZINC000767084818 585513810 /nfs/dbraw/zinc/51/38/10/585513810.db2.gz XQEABMYVGQVXFS-UHFFFAOYSA-N -1 3 242.304 0.359 20 0 BCADHM COCCO[N-]C(=O)CCCCc1c[nH]nn1 ZINC000768715244 585542044 /nfs/dbraw/zinc/54/20/44/585542044.db2.gz CROYFRUQEOSUDV-UHFFFAOYSA-N -1 3 242.279 0.212 20 0 BCADHM COCCO[N-]C(=O)CCCCc1cn[nH]n1 ZINC000768715244 585542045 /nfs/dbraw/zinc/54/20/45/585542045.db2.gz CROYFRUQEOSUDV-UHFFFAOYSA-N -1 3 242.279 0.212 20 0 BCADHM CO[C@H](C(=O)[N-]C1=NCCS1)C(C)C ZINC000769842096 585565122 /nfs/dbraw/zinc/56/51/22/585565122.db2.gz IFAPJJPNMGDJQS-ZETCQYMHSA-N -1 3 216.306 0.876 20 0 BCADHM Cc1cc(=O)[n-]c(CS[C@@H]2CCNC2=O)n1 ZINC000769850155 585565167 /nfs/dbraw/zinc/56/51/67/585565167.db2.gz FYVGXSQIVLMMTE-SSDOTTSWSA-N -1 3 239.300 0.612 20 0 BCADHM Cn1ncc([N-]S(C)(=O)=O)c1C1CC1 ZINC000769869924 585565494 /nfs/dbraw/zinc/56/54/94/585565494.db2.gz JORNRDOSLRLOKU-UHFFFAOYSA-N -1 3 215.278 0.669 20 0 BCADHM COC[C@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000770467026 585574710 /nfs/dbraw/zinc/57/47/10/585574710.db2.gz RRGJBTLYVVKURP-NWALNABHSA-N -1 3 236.271 0.952 20 0 BCADHM O=C(CC[C@H]1NC(=O)[N-]C1=O)OC1CCCC1 ZINC000771888388 585603803 /nfs/dbraw/zinc/60/38/03/585603803.db2.gz OQFJHYHPBLOUHL-MRVPVSSYSA-N -1 3 240.259 0.460 20 0 BCADHM COC(=O)COC(=O)c1c([O-])cccc1F ZINC000772582752 585618642 /nfs/dbraw/zinc/61/86/42/585618642.db2.gz YFMMJOROKORTPD-UHFFFAOYSA-N -1 3 228.175 0.861 20 0 BCADHM CCOCCO[N-]C(=O)c1cnns1 ZINC000772693706 585620849 /nfs/dbraw/zinc/62/08/49/585620849.db2.gz YSFSCNVBJWLTKN-UHFFFAOYSA-N -1 3 217.250 0.236 20 0 BCADHM CCOCCO[N-]C(=O)C1(C)CCOCC1 ZINC000772701085 585621202 /nfs/dbraw/zinc/62/12/02/585621202.db2.gz RNYVRFQIGOTVMP-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM CO[C@H](C)CC(=O)[N-]OC1CCOCC1 ZINC000772705660 585621418 /nfs/dbraw/zinc/62/14/18/585621418.db2.gz JXJQDMWLDSZRLH-MRVPVSSYSA-N -1 3 217.265 0.638 20 0 BCADHM O=C(Nn1cnc2ccccc21)c1nnc[n-]1 ZINC000772706364 585621639 /nfs/dbraw/zinc/62/16/39/585621639.db2.gz BMFFUHTUCZNGLC-UHFFFAOYSA-N -1 3 228.215 0.538 20 0 BCADHM O=C(Nn1cnc2ccccc21)c1ncn[n-]1 ZINC000772706364 585621640 /nfs/dbraw/zinc/62/16/40/585621640.db2.gz BMFFUHTUCZNGLC-UHFFFAOYSA-N -1 3 228.215 0.538 20 0 BCADHM O=C(Nn1cnc2ccccc21)c1nc[n-]n1 ZINC000772706364 585621641 /nfs/dbraw/zinc/62/16/41/585621641.db2.gz BMFFUHTUCZNGLC-UHFFFAOYSA-N -1 3 228.215 0.538 20 0 BCADHM O=C([N-]OC1CCOCC1)[C@@H]1C[C@@]12CCOC2 ZINC000772711239 585621789 /nfs/dbraw/zinc/62/17/89/585621789.db2.gz OIONJCZCKIAKHI-CMPLNLGQSA-N -1 3 241.287 0.640 20 0 BCADHM CCCOCC(=O)[N-]OC1CCN(C)CC1 ZINC000773550064 585640236 /nfs/dbraw/zinc/64/02/36/585640236.db2.gz HQCSMBWKRTYFFA-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM CSCCC(=O)[N-]OC1CCN(C)CC1 ZINC000773550729 585640355 /nfs/dbraw/zinc/64/03/55/585640355.db2.gz DQYAYUBSAADMPM-UHFFFAOYSA-N -1 3 232.349 0.882 20 0 BCADHM Cn1cc([C@H](O)C(=O)Nc2ncccc2[O-])cn1 ZINC000774092048 585650240 /nfs/dbraw/zinc/65/02/40/585650240.db2.gz YQYFIPPLGPJINA-VIFPVBQESA-N -1 3 248.242 0.193 20 0 BCADHM O=C(NN1CCCc2ccccc21)c1c[n-]nn1 ZINC000774214220 585654316 /nfs/dbraw/zinc/65/43/16/585654316.db2.gz GHRVODJOVASPEP-UHFFFAOYSA-N -1 3 243.270 0.902 20 0 BCADHM O=C(NN1CCCc2ccccc21)c1cnn[n-]1 ZINC000774214220 585654317 /nfs/dbraw/zinc/65/43/17/585654317.db2.gz GHRVODJOVASPEP-UHFFFAOYSA-N -1 3 243.270 0.902 20 0 BCADHM O=C(NN1CCCc2ccccc21)c1cn[n-]n1 ZINC000774214220 585654318 /nfs/dbraw/zinc/65/43/18/585654318.db2.gz GHRVODJOVASPEP-UHFFFAOYSA-N -1 3 243.270 0.902 20 0 BCADHM CCCN(C)CC(=O)[N-]OCCOCC ZINC000775231612 585673694 /nfs/dbraw/zinc/67/36/94/585673694.db2.gz BVDDNPZZMPCOIN-UHFFFAOYSA-N -1 3 218.297 0.413 20 0 BCADHM CCOCCO[N-]C(=O)[C@H](C)N(C)C ZINC000775235995 585673662 /nfs/dbraw/zinc/67/36/62/585673662.db2.gz VKGLCKFJOKNSES-QMMMGPOBSA-N -1 3 204.270 0.021 20 0 BCADHM CCCN(C)CC(=O)[N-]OC1CCOCC1 ZINC000775242049 585673882 /nfs/dbraw/zinc/67/38/82/585673882.db2.gz WRCPHCZRHZJIHV-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM Cn1cc(NC([O-])=NOC2CCOCC2)cn1 ZINC000775459981 585678122 /nfs/dbraw/zinc/67/81/22/585678122.db2.gz ZMHDQBOIMHCSGW-UHFFFAOYSA-N -1 3 240.263 0.652 20 0 BCADHM Cn1cc(NC(=O)[N-]OC2CCOCC2)cn1 ZINC000775459981 585678123 /nfs/dbraw/zinc/67/81/23/585678123.db2.gz ZMHDQBOIMHCSGW-UHFFFAOYSA-N -1 3 240.263 0.652 20 0 BCADHM COC(=O)CCCOC(=O)c1n[n-]nc1C ZINC000805545693 585678515 /nfs/dbraw/zinc/67/85/15/585678515.db2.gz ADLMQJSFAOIKGF-UHFFFAOYSA-N -1 3 227.220 0.223 20 0 BCADHM Cc1n[n-]nc1C(=O)O[C@@H](C)c1cnccn1 ZINC000805546490 585679331 /nfs/dbraw/zinc/67/93/31/585679331.db2.gz IHPKWJULHWAPQZ-ZETCQYMHSA-N -1 3 233.231 0.821 20 0 BCADHM Cc1cc(COC(=O)c2n[n-]nc2C)on1 ZINC000805546325 585679345 /nfs/dbraw/zinc/67/93/45/585679345.db2.gz GKRIAFVKOKLEAG-UHFFFAOYSA-N -1 3 222.204 0.767 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCC[C@@H](C)O ZINC000805547344 585680941 /nfs/dbraw/zinc/68/09/41/585680941.db2.gz XWXZXNGYEDZVCP-ZCFIWIBFSA-N -1 3 213.237 0.431 20 0 BCADHM Cc1n[n-]nc1C(=O)OCC(=O)C1(C)CC1 ZINC000805547201 585680962 /nfs/dbraw/zinc/68/09/62/585680962.db2.gz RFRPJAVFZYXNKR-UHFFFAOYSA-N -1 3 223.232 0.639 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000805547907 585681283 /nfs/dbraw/zinc/68/12/83/585681283.db2.gz LKSWJZWIWBYEOZ-HTRCEHHLSA-N -1 3 225.248 0.837 20 0 BCADHM CCNC(=O)CCC(=O)[N-]OC1CCCC1 ZINC000775604990 585681416 /nfs/dbraw/zinc/68/14/16/585681416.db2.gz UMOVTHLYDJKBMH-UHFFFAOYSA-N -1 3 228.292 0.893 20 0 BCADHM CCOCCON=C([O-])Nc1cnc(C)nc1 ZINC000775601554 585681481 /nfs/dbraw/zinc/68/14/81/585681481.db2.gz WUKSBJSOXDJBTL-UHFFFAOYSA-N -1 3 240.263 0.875 20 0 BCADHM CCOCCO[N-]C(=O)Nc1cnc(C)nc1 ZINC000775601554 585681482 /nfs/dbraw/zinc/68/14/82/585681482.db2.gz WUKSBJSOXDJBTL-UHFFFAOYSA-N -1 3 240.263 0.875 20 0 BCADHM Cn1nccc1NC([O-])=NOC1CCOCC1 ZINC000775751575 585684250 /nfs/dbraw/zinc/68/42/50/585684250.db2.gz HUWNPQYIQHNICH-UHFFFAOYSA-N -1 3 240.263 0.652 20 0 BCADHM Cn1nccc1NC(=O)[N-]OC1CCOCC1 ZINC000775751575 585684251 /nfs/dbraw/zinc/68/42/51/585684251.db2.gz HUWNPQYIQHNICH-UHFFFAOYSA-N -1 3 240.263 0.652 20 0 BCADHM NC(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775934075 585687622 /nfs/dbraw/zinc/68/76/22/585687622.db2.gz TZJFIKOOKJTTHR-UHFFFAOYSA-N -1 3 229.619 0.688 20 0 BCADHM CCOCCONC(=O)c1c([O-])cccc1O ZINC000776265204 585694178 /nfs/dbraw/zinc/69/41/78/585694178.db2.gz UUIXLIZYGOSDGX-UHFFFAOYSA-N -1 3 241.243 0.796 20 0 BCADHM COc1ccccc1NC([O-])=NOCCO ZINC000776295384 585694984 /nfs/dbraw/zinc/69/49/84/585694984.db2.gz MARLNVVJRBLKRQ-UHFFFAOYSA-N -1 3 226.232 0.741 20 0 BCADHM COc1ccccc1NC(=O)[N-]OCCO ZINC000776295384 585694985 /nfs/dbraw/zinc/69/49/85/585694985.db2.gz MARLNVVJRBLKRQ-UHFFFAOYSA-N -1 3 226.232 0.741 20 0 BCADHM CN(C)c1ccc(NC([O-])=NOCCO)cc1 ZINC000776295032 585695017 /nfs/dbraw/zinc/69/50/17/585695017.db2.gz DBIRTZIRPUMLDD-UHFFFAOYSA-N -1 3 239.275 0.798 20 0 BCADHM CN(C)c1ccc(NC(=O)[N-]OCCO)cc1 ZINC000776295032 585695018 /nfs/dbraw/zinc/69/50/18/585695018.db2.gz DBIRTZIRPUMLDD-UHFFFAOYSA-N -1 3 239.275 0.798 20 0 BCADHM O=C(CCOc1ccccc1)[N-]OCCCO ZINC000776298090 585695378 /nfs/dbraw/zinc/69/53/78/585695378.db2.gz WIXDYRFBJAZUFA-UHFFFAOYSA-N -1 3 239.271 0.886 20 0 BCADHM C[C@@H](C(=O)[N-]OCCO)N1CCCCCC1 ZINC000776580159 585700817 /nfs/dbraw/zinc/70/08/17/585700817.db2.gz STLNCHHFSPWFLT-JTQLQIEISA-N -1 3 230.308 0.291 20 0 BCADHM COc1ccc(CCC(=O)[N-]OCCO)cc1 ZINC000776579013 585701026 /nfs/dbraw/zinc/70/10/26/585701026.db2.gz GUWYZNISWWZDEC-UHFFFAOYSA-N -1 3 239.271 0.668 20 0 BCADHM Cc1cccc(CC(=O)[N-]OCCO)c1 ZINC000776581928 585701342 /nfs/dbraw/zinc/70/13/42/585701342.db2.gz NDNARERKMIYGEW-UHFFFAOYSA-N -1 3 209.245 0.578 20 0 BCADHM Cc1c[nH]cc(C(=O)[N-]C2=NCCS2)c1=O ZINC000777793210 585720237 /nfs/dbraw/zinc/72/02/37/585720237.db2.gz CXFOWCFKVJUYKF-UHFFFAOYSA-N -1 3 237.284 0.516 20 0 BCADHM C[C@@H](OC(=O)c1cnn[n-]1)C(=O)OC(C)(C)C ZINC000805603334 585727813 /nfs/dbraw/zinc/72/78/13/585727813.db2.gz MAURKSRSYWAXQS-ZCFIWIBFSA-N -1 3 241.247 0.692 20 0 BCADHM C[C@@H](OC(=O)c1c[n-]nn1)C(=O)OC(C)(C)C ZINC000805603334 585727814 /nfs/dbraw/zinc/72/78/14/585727814.db2.gz MAURKSRSYWAXQS-ZCFIWIBFSA-N -1 3 241.247 0.692 20 0 BCADHM O=C(OCc1ccc(F)cn1)c1cnn[n-]1 ZINC000805603209 585728120 /nfs/dbraw/zinc/72/81/20/585728120.db2.gz GRGJYRLGOLYXEY-UHFFFAOYSA-N -1 3 222.179 0.696 20 0 BCADHM O=C(OCc1ccc(F)cn1)c1c[n-]nn1 ZINC000805603209 585728121 /nfs/dbraw/zinc/72/81/21/585728121.db2.gz GRGJYRLGOLYXEY-UHFFFAOYSA-N -1 3 222.179 0.696 20 0 BCADHM O=C(OCc1cn2cccnc2n1)c1cnn[n-]1 ZINC000805603462 585728259 /nfs/dbraw/zinc/72/82/59/585728259.db2.gz NJZPWEWKDBVUJH-UHFFFAOYSA-N -1 3 244.214 0.204 20 0 BCADHM O=C(OCc1cn2cccnc2n1)c1c[n-]nn1 ZINC000805603462 585728260 /nfs/dbraw/zinc/72/82/60/585728260.db2.gz NJZPWEWKDBVUJH-UHFFFAOYSA-N -1 3 244.214 0.204 20 0 BCADHM CCOC(=O)CCCCOC(=O)c1cnn[n-]1 ZINC000805603449 585728488 /nfs/dbraw/zinc/72/84/88/585728488.db2.gz MYMNYFPVRGFSIL-UHFFFAOYSA-N -1 3 241.247 0.695 20 0 BCADHM CCOC(=O)CCCCOC(=O)c1c[n-]nn1 ZINC000805603449 585728489 /nfs/dbraw/zinc/72/84/89/585728489.db2.gz MYMNYFPVRGFSIL-UHFFFAOYSA-N -1 3 241.247 0.695 20 0 BCADHM O=C(O[C@H]1CCCCC1=O)c1cnn[n-]1 ZINC000805603585 585728859 /nfs/dbraw/zinc/72/88/59/585728859.db2.gz QKHOSKZNQCAHDG-QMMMGPOBSA-N -1 3 209.205 0.473 20 0 BCADHM O=C(O[C@H]1CCCCC1=O)c1c[n-]nn1 ZINC000805603585 585728860 /nfs/dbraw/zinc/72/88/60/585728860.db2.gz QKHOSKZNQCAHDG-QMMMGPOBSA-N -1 3 209.205 0.473 20 0 BCADHM CCCCOCCOC(=O)c1cnn[n-]1 ZINC000805604555 585730759 /nfs/dbraw/zinc/73/07/59/585730759.db2.gz BAOMHRGFEULCQH-UHFFFAOYSA-N -1 3 213.237 0.778 20 0 BCADHM CCCCOCCOC(=O)c1c[n-]nn1 ZINC000805604555 585730760 /nfs/dbraw/zinc/73/07/60/585730760.db2.gz BAOMHRGFEULCQH-UHFFFAOYSA-N -1 3 213.237 0.778 20 0 BCADHM COc1ccncc1COC(=O)c1cnn[n-]1 ZINC000805604756 585731369 /nfs/dbraw/zinc/73/13/69/585731369.db2.gz QMBBFMVKKFROKR-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM COc1ccncc1COC(=O)c1c[n-]nn1 ZINC000805604756 585731370 /nfs/dbraw/zinc/73/13/70/585731370.db2.gz QMBBFMVKKFROKR-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM Cc1nnc([C@@H](C)OC(=O)c2cnn[n-]2)s1 ZINC000805605842 585732678 /nfs/dbraw/zinc/73/26/78/585732678.db2.gz OUKNJRDRCHZLHH-SCSAIBSYSA-N -1 3 239.260 0.883 20 0 BCADHM Cc1nnc([C@@H](C)OC(=O)c2c[n-]nn2)s1 ZINC000805605842 585732679 /nfs/dbraw/zinc/73/26/79/585732679.db2.gz OUKNJRDRCHZLHH-SCSAIBSYSA-N -1 3 239.260 0.883 20 0 BCADHM C[C@@H](OC(=O)c1cnn[n-]1)c1cnccn1 ZINC000805606178 585733187 /nfs/dbraw/zinc/73/31/87/585733187.db2.gz UNDOCUFARJQXMO-ZCFIWIBFSA-N -1 3 219.204 0.513 20 0 BCADHM C[C@@H](OC(=O)c1c[n-]nn1)c1cnccn1 ZINC000805606178 585733188 /nfs/dbraw/zinc/73/31/88/585733188.db2.gz UNDOCUFARJQXMO-ZCFIWIBFSA-N -1 3 219.204 0.513 20 0 BCADHM CC1(C)CC[C@H](COC(=O)c2cnn[n-]2)O1 ZINC000805606680 585733937 /nfs/dbraw/zinc/73/39/37/585733937.db2.gz KKPNEXDXVZDUED-SSDOTTSWSA-N -1 3 225.248 0.919 20 0 BCADHM CC1(C)CC[C@H](COC(=O)c2c[n-]nn2)O1 ZINC000805606680 585733938 /nfs/dbraw/zinc/73/39/38/585733938.db2.gz KKPNEXDXVZDUED-SSDOTTSWSA-N -1 3 225.248 0.919 20 0 BCADHM Cc1nccn1CCCCOC(=O)c1cnn[n-]1 ZINC000805607696 585734768 /nfs/dbraw/zinc/73/47/68/585734768.db2.gz OVEJCAOBNUPWAO-UHFFFAOYSA-N -1 3 249.274 0.947 20 0 BCADHM Cc1nccn1CCCCOC(=O)c1c[n-]nn1 ZINC000805607696 585734769 /nfs/dbraw/zinc/73/47/69/585734769.db2.gz OVEJCAOBNUPWAO-UHFFFAOYSA-N -1 3 249.274 0.947 20 0 BCADHM Cc1nccn1CCCCOC(=O)c1cn[n-]n1 ZINC000805607696 585734770 /nfs/dbraw/zinc/73/47/70/585734770.db2.gz OVEJCAOBNUPWAO-UHFFFAOYSA-N -1 3 249.274 0.947 20 0 BCADHM COC(=O)CC1(COC(=O)c2cnn[n-]2)CC1 ZINC000805608604 585735782 /nfs/dbraw/zinc/73/57/82/585735782.db2.gz HBBRQCILUHOICT-UHFFFAOYSA-N -1 3 239.231 0.305 20 0 BCADHM COC(=O)CC1(COC(=O)c2c[n-]nn2)CC1 ZINC000805608604 585735783 /nfs/dbraw/zinc/73/57/83/585735783.db2.gz HBBRQCILUHOICT-UHFFFAOYSA-N -1 3 239.231 0.305 20 0 BCADHM COc1cc(COC(=O)c2cnn[n-]2)ccn1 ZINC000805609065 585736067 /nfs/dbraw/zinc/73/60/67/585736067.db2.gz MJEBTKLZYBHFNO-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM COc1cc(COC(=O)c2c[n-]nn2)ccn1 ZINC000805609065 585736068 /nfs/dbraw/zinc/73/60/68/585736068.db2.gz MJEBTKLZYBHFNO-UHFFFAOYSA-N -1 3 234.215 0.565 20 0 BCADHM O=C(OCC[C@@H]1CCCC1=O)c1cnn[n-]1 ZINC000805609989 585736184 /nfs/dbraw/zinc/73/61/84/585736184.db2.gz WPGHCGKBNLTKCV-ZETCQYMHSA-N -1 3 223.232 0.721 20 0 BCADHM O=C(OCC[C@@H]1CCCC1=O)c1c[n-]nn1 ZINC000805609989 585736185 /nfs/dbraw/zinc/73/61/85/585736185.db2.gz WPGHCGKBNLTKCV-ZETCQYMHSA-N -1 3 223.232 0.721 20 0 BCADHM O=C(OCC[C@H]1CCCC1=O)c1cnn[n-]1 ZINC000805609988 585736217 /nfs/dbraw/zinc/73/62/17/585736217.db2.gz WPGHCGKBNLTKCV-SSDOTTSWSA-N -1 3 223.232 0.721 20 0 BCADHM O=C(OCC[C@H]1CCCC1=O)c1c[n-]nn1 ZINC000805609988 585736218 /nfs/dbraw/zinc/73/62/18/585736218.db2.gz WPGHCGKBNLTKCV-SSDOTTSWSA-N -1 3 223.232 0.721 20 0 BCADHM CCC1(C(=O)[N-]OCCOC)CCOCC1 ZINC000778857935 585741531 /nfs/dbraw/zinc/74/15/31/585741531.db2.gz NREAVQILWYZSEL-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C1=COCC1 ZINC000778963879 585743101 /nfs/dbraw/zinc/74/31/01/585743101.db2.gz JFUSJSGKNIPIKQ-UHFFFAOYSA-N -1 3 237.215 0.439 20 0 BCADHM Cn1nnnc1[N-]C(=O)/C=C\c1ccsc1 ZINC000779467106 585755416 /nfs/dbraw/zinc/75/54/16/585755416.db2.gz MXQMYIQYZGKVLE-IHWYPQMZSA-N -1 3 235.272 0.924 20 0 BCADHM Cn1nnnc1[N-]C(=O)Cc1ccc(F)cc1 ZINC000779466114 585755610 /nfs/dbraw/zinc/75/56/10/585755610.db2.gz CEZFSGHDLCPQPI-UHFFFAOYSA-N -1 3 235.222 0.530 20 0 BCADHM Cn1nnnc1[N-]C(=O)CSC(F)(F)F ZINC000779466076 585755698 /nfs/dbraw/zinc/75/56/98/585755698.db2.gz BSUAVPHJLDRGEV-UHFFFAOYSA-N -1 3 241.198 0.402 20 0 BCADHM Cn1nnnc1[N-]C(=O)Cc1cccc(F)c1 ZINC000779466829 585755706 /nfs/dbraw/zinc/75/57/06/585755706.db2.gz VTGDDSXVSPHVRV-UHFFFAOYSA-N -1 3 235.222 0.530 20 0 BCADHM C=CC(=O)NCCNC(=O)c1ccc([O-])c(C)c1 ZINC000779515228 585755958 /nfs/dbraw/zinc/75/59/58/585755958.db2.gz QDTJMGPJUOHHHX-UHFFFAOYSA-N -1 3 248.282 0.733 20 0 BCADHM Cc1cc(C(=O)Nn2cnnc2)ccc1[O-] ZINC000779548387 585756052 /nfs/dbraw/zinc/75/60/52/585756052.db2.gz SCVAGRWGUZWUJG-UHFFFAOYSA-N -1 3 218.216 0.676 20 0 BCADHM CCn1cc(CC(=O)[N-]C2=NCCS2)cn1 ZINC000780226897 585773849 /nfs/dbraw/zinc/77/38/49/585773849.db2.gz FWZAZHGMYQQXQB-UHFFFAOYSA-N -1 3 238.316 0.665 20 0 BCADHM C[C@@H]1CCCN(CCNC(=O)NCC(=O)[O-])C1 ZINC000780413613 585778863 /nfs/dbraw/zinc/77/88/63/585778863.db2.gz FCMUJUQXIVVCPH-SECBINFHSA-N -1 3 243.307 0.102 20 0 BCADHM CCCCN(C)CCNC(=O)N(C)CC(=O)[O-] ZINC000780573329 585781710 /nfs/dbraw/zinc/78/17/10/585781710.db2.gz NFNGMMZBIBUVSU-UHFFFAOYSA-N -1 3 245.323 0.444 20 0 BCADHM C=CC(=O)NCCNC(=O)c1cccc([O-])c1 ZINC000780933717 585786569 /nfs/dbraw/zinc/78/65/69/585786569.db2.gz ABRSADJFGUOQJH-UHFFFAOYSA-N -1 3 234.255 0.424 20 0 BCADHM O=C([N-]N1CN=NC1=O)C(F)=C1CCCC1 ZINC000782127261 585808081 /nfs/dbraw/zinc/80/80/81/585808081.db2.gz MORKQRIRMMCODD-UHFFFAOYSA-N -1 3 226.211 0.851 20 0 BCADHM O=C([N-]N1CN=NC1=O)c1ccc2nccn2c1 ZINC000782125088 585808198 /nfs/dbraw/zinc/80/81/98/585808198.db2.gz UZMUSGIIJUVTLK-UHFFFAOYSA-N -1 3 244.214 0.015 20 0 BCADHM CC(C)OC(=O)C[N-]S(=O)(=O)c1ccco1 ZINC000782466213 585818744 /nfs/dbraw/zinc/81/87/44/585818744.db2.gz YPZOJWYCSHIUAG-UHFFFAOYSA-N -1 3 247.272 0.510 20 0 BCADHM O=S(=O)([N-][C@@H](CO)C1CC1)c1ccco1 ZINC000782467047 585818851 /nfs/dbraw/zinc/81/88/51/585818851.db2.gz HTTHVWAGUXRAES-QMMMGPOBSA-N -1 3 231.273 0.329 20 0 BCADHM Cc1[n-]nc(C(C)C)c1C(=O)O[C@@H](C)C(N)=O ZINC000786341886 585889816 /nfs/dbraw/zinc/88/98/16/585889816.db2.gz HGBZWQNALHAUQB-ZETCQYMHSA-N -1 3 239.275 0.872 20 0 BCADHM Cc1n[n-]c(C(C)C)c1C(=O)O[C@@H](C)C(N)=O ZINC000786341886 585889817 /nfs/dbraw/zinc/88/98/17/585889817.db2.gz HGBZWQNALHAUQB-ZETCQYMHSA-N -1 3 239.275 0.872 20 0 BCADHM O=C([N-]OCCO)c1c(F)ccc(F)c1F ZINC000787284186 585905063 /nfs/dbraw/zinc/90/50/63/585905063.db2.gz RQUZQNLVMZCALB-UHFFFAOYSA-N -1 3 235.161 0.758 20 0 BCADHM C[C@@H]1CC[C@H](CC(=O)[N-]OCCO)C1 ZINC000787290104 585905134 /nfs/dbraw/zinc/90/51/34/585905134.db2.gz BXQLRANQTPTFQB-BDAKNGLRSA-N -1 3 201.266 0.853 20 0 BCADHM COc1ccc(C)cc1CC(=O)[N-]OCCO ZINC000787296024 585905883 /nfs/dbraw/zinc/90/58/83/585905883.db2.gz TUCVEADEGBGFKG-UHFFFAOYSA-N -1 3 239.271 0.586 20 0 BCADHM Cc1cc(C(=O)NOCCO)ccc1[O-] ZINC000787297044 585906043 /nfs/dbraw/zinc/90/60/43/585906043.db2.gz SCVYCYBZHVZOSL-UHFFFAOYSA-N -1 3 211.217 0.354 20 0 BCADHM CCc1ccccc1CC(=O)[N-]OCCO ZINC000787299044 585906226 /nfs/dbraw/zinc/90/62/26/585906226.db2.gz DBOBNVJEZTWAGO-UHFFFAOYSA-N -1 3 223.272 0.832 20 0 BCADHM CC(=O)[C@@H](C)CCCCC(=O)[N-]OCCO ZINC000787296567 585906297 /nfs/dbraw/zinc/90/62/97/585906297.db2.gz MXVRFHFFPNDRRJ-VIFPVBQESA-N -1 3 231.292 0.812 20 0 BCADHM COC(=O)[C@@](C)([N-]C(=O)C(F)F)C1CC1 ZINC000787380640 585908583 /nfs/dbraw/zinc/90/85/83/585908583.db2.gz NRMFHZKNUZFAET-VIFPVBQESA-N -1 3 221.203 0.709 20 0 BCADHM CC(=O)[N-]OCc1nnc2n1CCCCC2 ZINC000788501994 585925889 /nfs/dbraw/zinc/92/58/89/585925889.db2.gz GEQLCISHWWPIHM-UHFFFAOYSA-N -1 3 224.264 0.572 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788568901 585927104 /nfs/dbraw/zinc/92/71/04/585927104.db2.gz DTDVUJSJKFZWJX-NXEZZACHSA-N -1 3 231.292 0.622 20 0 BCADHM CN1CCCC[C@H]1C(=O)[N-]OC[C@H]1CCOC1 ZINC000788574469 585927124 /nfs/dbraw/zinc/92/71/24/585927124.db2.gz LUQKAPRGLOLCCO-QWRGUYRKSA-N -1 3 242.319 0.555 20 0 BCADHM CSCC[C@@H](O)C(=O)[N-]C1=NCCS1 ZINC000788633409 585928219 /nfs/dbraw/zinc/92/82/19/585928219.db2.gz VBCXCFAIZGHEIV-ZCFIWIBFSA-N -1 3 234.346 0.319 20 0 BCADHM Cc1ccc([O-])c(NC(=O)CC2OCCO2)n1 ZINC000788673546 585928982 /nfs/dbraw/zinc/92/89/82/585928982.db2.gz VBIGHMZNHPBCGG-UHFFFAOYSA-N -1 3 238.243 0.797 20 0 BCADHM CC[C@H](C(=O)[N-]C1=NCCS1)[C@@H](C)O ZINC000790070683 585957269 /nfs/dbraw/zinc/95/72/69/585957269.db2.gz ZBEPNWFNGPPWKA-RQJHMYQMSA-N -1 3 216.306 0.612 20 0 BCADHM CCNC(=O)COC(=O)c1cccc2nn[n-]c21 ZINC000790072778 585957521 /nfs/dbraw/zinc/95/75/21/585957521.db2.gz AYLQGBFKVRCYRE-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM CCNC(=O)COC(=O)c1cccc2[n-]nnc21 ZINC000790072778 585957522 /nfs/dbraw/zinc/95/75/22/585957522.db2.gz AYLQGBFKVRCYRE-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM CCNC(=O)COC(=O)c1cccc2n[n-]nc21 ZINC000790072778 585957523 /nfs/dbraw/zinc/95/75/23/585957523.db2.gz AYLQGBFKVRCYRE-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3C[C@]3(CO)C2)n1 ZINC000790348541 585964034 /nfs/dbraw/zinc/96/40/34/585964034.db2.gz XKKPFBUIJRLREP-OUJBWJOFSA-N -1 3 249.314 0.866 20 0 BCADHM [O-]C(=NOCCO)Nc1nc2c(s1)CCC2 ZINC000790576698 585966416 /nfs/dbraw/zinc/96/64/16/585966416.db2.gz MCTSVVNEXYPVOT-UHFFFAOYSA-N -1 3 243.288 0.677 20 0 BCADHM O=C([N-]OCCO)Nc1nc2c(s1)CCC2 ZINC000790576698 585966417 /nfs/dbraw/zinc/96/64/17/585966417.db2.gz MCTSVVNEXYPVOT-UHFFFAOYSA-N -1 3 243.288 0.677 20 0 BCADHM [O-]C(=NOCCO)Nc1nnc(C2CC2)s1 ZINC000790576329 585966428 /nfs/dbraw/zinc/96/64/28/585966428.db2.gz IWZLQGZDYPPZSL-UHFFFAOYSA-N -1 3 244.276 0.461 20 0 BCADHM O=C([N-]OCCO)Nc1nnc(C2CC2)s1 ZINC000790576329 585966429 /nfs/dbraw/zinc/96/64/29/585966429.db2.gz IWZLQGZDYPPZSL-UHFFFAOYSA-N -1 3 244.276 0.461 20 0 BCADHM COC/C=C\C(=O)[N-]O[C@@H]1CCCCO1 ZINC000791343866 585978165 /nfs/dbraw/zinc/97/81/65/585978165.db2.gz PPGXXOSMVTZGEG-UMCURTJPSA-N -1 3 215.249 0.763 20 0 BCADHM Cc1nonc1CNC(=O)c1csc(=O)[n-]1 ZINC000792186192 585997153 /nfs/dbraw/zinc/99/71/53/585997153.db2.gz NKFOXFNYMIEQNU-UHFFFAOYSA-N -1 3 240.244 0.470 20 0 BCADHM C[C@@H]1CN(C(=O)c2csc(=O)[n-]2)CCN1C ZINC000792202291 585997741 /nfs/dbraw/zinc/99/77/41/585997741.db2.gz XVZLRCPOVOQIIY-SSDOTTSWSA-N -1 3 241.316 0.625 20 0 BCADHM C[C@H]1COCCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000792275998 585998977 /nfs/dbraw/zinc/99/89/77/585998977.db2.gz BAUBSDDSJALEFG-SSDOTTSWSA-N -1 3 242.300 0.957 20 0 BCADHM O=C(NCc1ncccc1[O-])C1=COCCO1 ZINC000792614632 586003367 /nfs/dbraw/zinc/00/33/67/586003367.db2.gz VXJBTUBCXABVLU-UHFFFAOYSA-N -1 3 236.227 0.292 20 0 BCADHM O=Cc1ccc(C(=O)NCc2ncccc2[O-])[nH]1 ZINC000792619129 586003485 /nfs/dbraw/zinc/00/34/85/586003485.db2.gz IMHNUUMZQMTDPE-UHFFFAOYSA-N -1 3 245.238 0.858 20 0 BCADHM COCCO[N-]C(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000793612378 586024176 /nfs/dbraw/zinc/02/41/76/586024176.db2.gz AJTDEYMCUXUKGX-IUCAKERBSA-N -1 3 229.276 0.686 20 0 BCADHM COCCO[N-]C(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000793612376 586024338 /nfs/dbraw/zinc/02/43/38/586024338.db2.gz AJTDEYMCUXUKGX-BDAKNGLRSA-N -1 3 229.276 0.686 20 0 BCADHM CO[C@H]1CCC[C@@H](CC(=O)[N-]OCCO)C1 ZINC000793854455 586028016 /nfs/dbraw/zinc/02/80/16/586028016.db2.gz IMEFTRMBEPLJLW-ZJUUUORDSA-N -1 3 231.292 0.622 20 0 BCADHM CCN(CC)CC(=O)[N-]OCCSC ZINC000794188738 586034425 /nfs/dbraw/zinc/03/44/25/586034425.db2.gz WEOSQYAGFIRWSZ-UHFFFAOYSA-N -1 3 220.338 0.739 20 0 BCADHM CSCCO[N-]C(=O)[C@H](C(C)C)N(C)C ZINC000794188669 586034548 /nfs/dbraw/zinc/03/45/48/586034548.db2.gz SRPYFMPKJWLTDQ-VIFPVBQESA-N -1 3 234.365 0.983 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OCCSC ZINC000794191423 586034857 /nfs/dbraw/zinc/03/48/57/586034857.db2.gz FFKPQQQWOBBJGW-NKWVEPMBSA-N -1 3 233.289 0.206 20 0 BCADHM COCCO[N-]C(=O)CCc1ccn(C)n1 ZINC000794455512 586040256 /nfs/dbraw/zinc/04/02/56/586040256.db2.gz BOGWTQSZIWHJEX-UHFFFAOYSA-N -1 3 227.264 0.047 20 0 BCADHM CC(C)OCCO[N-]C(=O)C1(N(C)C)CCC1 ZINC000795063292 586067914 /nfs/dbraw/zinc/06/79/14/586067914.db2.gz BXCWLZJWXYNOJR-UHFFFAOYSA-N -1 3 244.335 0.944 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@H]1CCC[C@H](O)C1 ZINC000795575611 586086473 /nfs/dbraw/zinc/08/64/73/586086473.db2.gz XTIMQSNCTYRQNU-IUCAKERBSA-N -1 3 239.275 0.821 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@H]1CCC[C@@H](O)C1 ZINC000795575610 586086797 /nfs/dbraw/zinc/08/67/97/586086797.db2.gz XTIMQSNCTYRQNU-DTWKUNHWSA-N -1 3 239.275 0.821 20 0 BCADHM O=C([N-]OCCO)[C@@H]1CCC(F)(F)C1 ZINC000797752145 586130696 /nfs/dbraw/zinc/13/06/96/586130696.db2.gz BAYBGVAEYYPBIS-ZCFIWIBFSA-N -1 3 209.192 0.462 20 0 BCADHM O=C([N-]C1(c2nc[nH]n2)CCC1)C(F)F ZINC000797756721 586130703 /nfs/dbraw/zinc/13/07/03/586130703.db2.gz CQRCMNIPEZRHQZ-UHFFFAOYSA-N -1 3 216.191 0.565 20 0 BCADHM CC(=O)OCCNC(=O)c1ccc(C)cc1[O-] ZINC000798137480 586138283 /nfs/dbraw/zinc/13/82/83/586138283.db2.gz REHLOZWJINXXJW-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM O=C([N-][C@H]1CCCC(F)(F)[C@@H]1O)C(F)F ZINC000839894481 586205325 /nfs/dbraw/zinc/20/53/25/586205325.db2.gz MKBKSTPCFNGFBF-CRCLSJGQSA-N -1 3 229.173 0.916 20 0 BCADHM C[C@@H]1C[C@H]1COC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000859475782 589040208 /nfs/dbraw/zinc/04/02/08/589040208.db2.gz OHRSFWKGNBTNFD-GJMOJQLCSA-N -1 3 240.259 0.174 20 0 BCADHM O=C(CC[C@H]1NC(=O)[N-]C1=O)OCCCCF ZINC000803259282 586341447 /nfs/dbraw/zinc/34/14/47/586341447.db2.gz ZKYWQJAIEOJXAX-SSDOTTSWSA-N -1 3 246.238 0.268 20 0 BCADHM COCCCON=C([O-])Nc1ccnnc1C ZINC000806416754 586412198 /nfs/dbraw/zinc/41/21/98/586412198.db2.gz WEHRSVAUDUHFBR-UHFFFAOYSA-N -1 3 240.263 0.875 20 0 BCADHM COCCCO[N-]C(=O)Nc1ccnnc1C ZINC000806416754 586412200 /nfs/dbraw/zinc/41/22/00/586412200.db2.gz WEHRSVAUDUHFBR-UHFFFAOYSA-N -1 3 240.263 0.875 20 0 BCADHM CC[C@@](C)([N-]C(=O)C(C)(F)F)C(N)=O ZINC000808461324 586473300 /nfs/dbraw/zinc/47/33/00/586473300.db2.gz JIWUCKCREJIBQG-SSDOTTSWSA-N -1 3 208.208 0.412 20 0 BCADHM COC(=O)CCCO[N-]C(=O)c1cnns1 ZINC000808499816 586476285 /nfs/dbraw/zinc/47/62/85/586476285.db2.gz NVAFEDQALIMPPN-UHFFFAOYSA-N -1 3 245.260 0.153 20 0 BCADHM Cc1cnc(COC(=O)c2cnn[n-]2)nc1 ZINC000808550505 586479534 /nfs/dbraw/zinc/47/95/34/586479534.db2.gz MVMSIVCUBNPBLR-UHFFFAOYSA-N -1 3 219.204 0.260 20 0 BCADHM Cc1cnc(COC(=O)c2c[n-]nn2)nc1 ZINC000808550505 586479535 /nfs/dbraw/zinc/47/95/35/586479535.db2.gz MVMSIVCUBNPBLR-UHFFFAOYSA-N -1 3 219.204 0.260 20 0 BCADHM CO[N-]C(=O)CCCn1c(C)cc(=O)cc1C ZINC000810050668 586532906 /nfs/dbraw/zinc/53/29/06/586532906.db2.gz KWFRFAADXGXBNX-UHFFFAOYSA-N -1 3 238.287 0.923 20 0 BCADHM CCCS(=O)(=O)[N-][C@@]1(C)CCOC1=O ZINC000810102611 586534169 /nfs/dbraw/zinc/53/41/69/586534169.db2.gz IINRQRPXNOLUQM-QMMMGPOBSA-N -1 3 221.278 0.021 20 0 BCADHM Cc1nc([C@H](C)OC(=O)c2cnn[n-]2)no1 ZINC000811223845 586557371 /nfs/dbraw/zinc/55/73/71/586557371.db2.gz NJYJBTJJWJAAOO-BYPYZUCNSA-N -1 3 223.192 0.414 20 0 BCADHM Cc1nc([C@H](C)OC(=O)c2c[n-]nn2)no1 ZINC000811223845 586557372 /nfs/dbraw/zinc/55/73/72/586557372.db2.gz NJYJBTJJWJAAOO-BYPYZUCNSA-N -1 3 223.192 0.414 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CN(C)C(C)C ZINC000811560419 586561181 /nfs/dbraw/zinc/56/11/81/586561181.db2.gz PBLFTBSEKLXICV-UHFFFAOYSA-N -1 3 246.307 0.328 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CC1CC1 ZINC000811557554 586561198 /nfs/dbraw/zinc/56/11/98/586561198.db2.gz DWHIVXGGZFHUAB-UHFFFAOYSA-N -1 3 215.249 0.788 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CC[C@@H](C)OC ZINC000811562117 586561453 /nfs/dbraw/zinc/56/14/53/586561453.db2.gz JJWLHIISTCAOGU-SECBINFHSA-N -1 3 247.291 0.803 20 0 BCADHM O=C([N-]OC/C=C\Cl)[C@@H]1CCNC(=O)C1 ZINC000812400698 586575714 /nfs/dbraw/zinc/57/57/14/586575714.db2.gz BVOOLIGDRDRPQS-BYXPXVBTSA-N -1 3 232.667 0.313 20 0 BCADHM O=C(CCCn1cncn1)[N-]OC/C=C\Cl ZINC000812405938 586576334 /nfs/dbraw/zinc/57/63/34/586576334.db2.gz LBXMREZMGOKLKI-RQOWECAXSA-N -1 3 244.682 0.859 20 0 BCADHM CC(C)OCCON=c1[n-]ccn2nnnc12 ZINC000812489398 586578009 /nfs/dbraw/zinc/57/80/09/586578009.db2.gz YYPGOJTVLJEKMO-UHFFFAOYSA-N -1 3 238.251 0.288 20 0 BCADHM O=C([N-]OC1CCC1)c1ccc2n[nH]c(=O)n2c1 ZINC000812793115 586585398 /nfs/dbraw/zinc/58/53/98/586585398.db2.gz OQJQPVQOXUYUNR-UHFFFAOYSA-N -1 3 248.242 0.649 20 0 BCADHM O=C([N-]OC1CCC1)[C@H]1CCNC(=O)C1 ZINC000812796433 586586075 /nfs/dbraw/zinc/58/60/75/586586075.db2.gz OVDZTIARHXMKAL-ZETCQYMHSA-N -1 3 212.249 0.113 20 0 BCADHM CC[C@H](C(=O)[N-]OCCOC(C)C)N(C)C ZINC000812803539 586586553 /nfs/dbraw/zinc/58/65/53/586586553.db2.gz LLNDXAKUCGYIEP-SNVBAGLBSA-N -1 3 232.324 0.799 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@@H]1CCCN1C ZINC000812808691 586586919 /nfs/dbraw/zinc/58/69/19/586586919.db2.gz IQWAVDIGFSDKIW-JTQLQIEISA-N -1 3 230.308 0.553 20 0 BCADHM CC(C)OCCO[N-]C(=O)CCCCC(N)=O ZINC000812806660 586587139 /nfs/dbraw/zinc/58/71/39/586587139.db2.gz KYVGTHZONXGCFP-UHFFFAOYSA-N -1 3 246.307 0.505 20 0 BCADHM CC[C@H](C)CON=c1[n-]ccn2nnnc12 ZINC000813622546 586604810 /nfs/dbraw/zinc/60/48/10/586604810.db2.gz RKAKOHAVSMAIQS-ZETCQYMHSA-N -1 3 222.252 0.909 20 0 BCADHM CO[N-]C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000814275921 586621047 /nfs/dbraw/zinc/62/10/47/586621047.db2.gz JQRVCSJHEJTTNV-MRVPVSSYSA-N -1 3 236.275 0.396 20 0 BCADHM CNc1ccc(NC([O-])=NOCCO)cc1 ZINC000859737456 589057328 /nfs/dbraw/zinc/05/73/28/589057328.db2.gz MOTJOBXMRRTXJW-UHFFFAOYSA-N -1 3 225.248 0.774 20 0 BCADHM CNc1ccc(NC(=O)[N-]OCCO)cc1 ZINC000859737456 589057330 /nfs/dbraw/zinc/05/73/30/589057330.db2.gz MOTJOBXMRRTXJW-UHFFFAOYSA-N -1 3 225.248 0.774 20 0 BCADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1nncn1C ZINC000815030125 586664244 /nfs/dbraw/zinc/66/42/44/586664244.db2.gz WMSIYEZKZMUJMK-RXMQYKEDSA-N -1 3 218.207 0.648 20 0 BCADHM CCC(CC)([N-]C(=O)C(C)(F)F)C(N)=O ZINC000815166931 586672471 /nfs/dbraw/zinc/67/24/71/586672471.db2.gz MLIXDZUNKTYLML-UHFFFAOYSA-N -1 3 222.235 0.802 20 0 BCADHM C[C@@H]1CC[C@H](OC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000815207323 586673751 /nfs/dbraw/zinc/67/37/51/586673751.db2.gz BKVIXWHTKMVORS-SFYZADRCSA-N -1 3 240.259 0.270 20 0 BCADHM C[C@H]1CC[C@H](OC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000815231075 586674826 /nfs/dbraw/zinc/67/48/26/586674826.db2.gz YHUKHHKSIKMECT-FXQIFTODSA-N -1 3 240.259 0.316 20 0 BCADHM CC(F)(F)C(=O)[N-][C@H]1CC(C)(C)OC1=O ZINC000815868357 586695566 /nfs/dbraw/zinc/69/55/66/586695566.db2.gz MTJSDVHYZCJISO-YFKPBYRVSA-N -1 3 221.203 0.852 20 0 BCADHM Cc1cncc(CCC(=O)[N-]OCCO)c1 ZINC000816175449 586711729 /nfs/dbraw/zinc/71/17/29/586711729.db2.gz XORONNPUOQUWOM-UHFFFAOYSA-N -1 3 224.260 0.363 20 0 BCADHM O=Cc1c[nH]c(C(=O)NCc2ncccc2[O-])c1 ZINC000816538322 586739134 /nfs/dbraw/zinc/73/91/34/586739134.db2.gz NCMZDRQPKYNFKG-UHFFFAOYSA-N -1 3 245.238 0.858 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@]2(C)CCCO2)CC1 ZINC000816534754 586739376 /nfs/dbraw/zinc/73/93/76/586739376.db2.gz TUUURFWBTVFVEQ-LBPRGKRZSA-N -1 3 242.319 0.698 20 0 BCADHM CC(C)OCCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000816655049 586753256 /nfs/dbraw/zinc/75/32/56/586753256.db2.gz NMNCGIODJMAJNP-UHFFFAOYSA-N -1 3 238.251 0.206 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CCO[C@@H]2C[C@@H]21 ZINC000816899791 586770092 /nfs/dbraw/zinc/77/00/92/586770092.db2.gz AQVJHDYSCVOOQR-FGXISPTISA-N -1 3 246.266 0.800 20 0 BCADHM CC(C)CO[N-]C(=O)[C@H]1CC[C@H]1C(N)=O ZINC000816953859 586773146 /nfs/dbraw/zinc/77/31/46/586773146.db2.gz ORXXLEGLJVMUHT-SFYZADRCSA-N -1 3 214.265 0.202 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)[C@@H]1CCC(=O)NC1 ZINC000816976060 586776162 /nfs/dbraw/zinc/77/61/62/586776162.db2.gz VIJKBZVYVSVTJZ-RKDXNWHRSA-N -1 3 228.292 0.607 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)CCCC(N)=O ZINC000816980079 586777989 /nfs/dbraw/zinc/77/79/89/586777989.db2.gz FDTBHYJZOCZQAA-MRVPVSSYSA-N -1 3 216.281 0.736 20 0 BCADHM Cc1nc([N-]C(=O)c2cccc(F)n2)nn1C ZINC000817018503 586779465 /nfs/dbraw/zinc/77/94/65/586779465.db2.gz IDZKDUSRNLYHER-UHFFFAOYSA-N -1 3 235.222 0.910 20 0 BCADHM CN1CC[C@@H](C(=O)[N-]OCCC2CC2)CC1=O ZINC000817413405 586801582 /nfs/dbraw/zinc/80/15/82/586801582.db2.gz SJKLBDVYHOYAKD-SNVBAGLBSA-N -1 3 240.303 0.703 20 0 BCADHM O=C(CCCn1cncn1)[N-]OCCC1CC1 ZINC000817416888 586802652 /nfs/dbraw/zinc/80/26/52/586802652.db2.gz ZNWKBOLERUZZKB-UHFFFAOYSA-N -1 3 238.291 0.906 20 0 BCADHM CC(C)N(C)C(=O)[C@@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000817727986 586821610 /nfs/dbraw/zinc/82/16/10/586821610.db2.gz QQAWMJNNBJCUOD-NXEZZACHSA-N -1 3 242.319 0.648 20 0 BCADHM CC(C)N(C)C(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000817727988 586821674 /nfs/dbraw/zinc/82/16/74/586821674.db2.gz QQAWMJNNBJCUOD-VHSXEESVSA-N -1 3 242.319 0.648 20 0 BCADHM CCOC(=O)CNC(=O)c1ccc(N)cc1[O-] ZINC000817913338 586838870 /nfs/dbraw/zinc/83/88/70/586838870.db2.gz YRDANBOJBBBBOC-UHFFFAOYSA-N -1 3 238.243 0.267 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)OC[C@@H]1CCCN1CC(=O)[O-] ZINC000818090046 586872245 /nfs/dbraw/zinc/87/22/45/586872245.db2.gz KWYCZTHBYRJJCL-UTLUCORTSA-N -1 3 241.287 0.735 20 0 BCADHM CC[C@@H](NCc1cc(C(N)=O)cs1)C(=O)[O-] ZINC000818317159 586885695 /nfs/dbraw/zinc/88/56/95/586885695.db2.gz OYBNSYIVTPCECF-MRVPVSSYSA-N -1 3 242.300 0.800 20 0 BCADHM COC(=O)/C(C)=C\CN1CC[C@H](C(=O)[O-])C1 ZINC000818500312 586895313 /nfs/dbraw/zinc/89/53/13/586895313.db2.gz AJXLZMXXJPHMCD-CHDHTGKKSA-N -1 3 227.260 0.512 20 0 BCADHM COC(=O)/C(C)=C\CN1CCC[C@H]1C(=O)[O-] ZINC000818500701 586895768 /nfs/dbraw/zinc/89/57/68/586895768.db2.gz YMFAKJVDUAHRHN-RDOCRHDPSA-N -1 3 227.260 0.655 20 0 BCADHM COc1nc(NC(=O)C=C[C@@H]2CCCO2)n[n-]1 ZINC000819453891 586965421 /nfs/dbraw/zinc/96/54/21/586965421.db2.gz AWJBNDVGMUFKBJ-MJSGSUOKSA-N -1 3 238.247 0.487 20 0 BCADHM COc1nnc(NC(=O)C=C[C@@H]2CCCO2)[n-]1 ZINC000819453891 586965423 /nfs/dbraw/zinc/96/54/23/586965423.db2.gz AWJBNDVGMUFKBJ-MJSGSUOKSA-N -1 3 238.247 0.487 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C\[C@@H]2CCCO2)n1 ZINC000819453891 586965425 /nfs/dbraw/zinc/96/54/25/586965425.db2.gz AWJBNDVGMUFKBJ-MJSGSUOKSA-N -1 3 238.247 0.487 20 0 BCADHM CC(C)(O)CO[N-]C(=O)/C=C\c1ccncn1 ZINC000819541686 586975793 /nfs/dbraw/zinc/97/57/93/586975793.db2.gz FVTMJURRIURTFT-ARJAWSKDSA-N -1 3 237.259 0.309 20 0 BCADHM C[C@@H](CC(=O)[N-]OC(C)(C)CO)n1cccn1 ZINC000819556634 586977437 /nfs/dbraw/zinc/97/74/37/586977437.db2.gz PBABSJJTEQZYIM-VIFPVBQESA-N -1 3 241.291 0.653 20 0 BCADHM CNC(=O)CCCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819778305 586993037 /nfs/dbraw/zinc/99/30/37/586993037.db2.gz ZFLMNSVAKAGBBN-ZETCQYMHSA-N -1 3 243.332 0.510 20 0 BCADHM CC[C@H](C(=O)[N-]C1=NC[C@H](C)S1)C(=O)OC ZINC000819781712 586994310 /nfs/dbraw/zinc/99/43/10/586994310.db2.gz LUILJQYNPNEUCU-NKWVEPMBSA-N -1 3 244.316 0.793 20 0 BCADHM O=C(C=CC1CC1)NCCCc1cc(=O)[nH][n-]1 ZINC000819869292 587000112 /nfs/dbraw/zinc/00/01/12/587000112.db2.gz KDFNOJBGVPIXDZ-AATRIKPKSA-N -1 3 235.287 0.725 20 0 BCADHM O=C(C=Cc1ccco1)[N-]c1nnc2[nH]cnn12 ZINC000819981097 587010971 /nfs/dbraw/zinc/01/09/71/587010971.db2.gz LZSVQVJMKUQEJL-ONEGZZNKSA-N -1 3 244.214 0.697 20 0 BCADHM C[C@H](CC(=O)[O-])N[C@H](C)c1nccn1C ZINC000820071611 587016875 /nfs/dbraw/zinc/01/68/75/587016875.db2.gz BNDXRKZSBBHDSD-HTQZYQBOSA-N -1 3 211.265 0.934 20 0 BCADHM C[C@H](CC(=O)[O-])N[C@@H](C)c1nccn1C ZINC000820071613 587017142 /nfs/dbraw/zinc/01/71/42/587017142.db2.gz BNDXRKZSBBHDSD-SFYZADRCSA-N -1 3 211.265 0.934 20 0 BCADHM C[C@@H](CCO)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000820248510 587038062 /nfs/dbraw/zinc/03/80/62/587038062.db2.gz IYTLMFAZSOLGLM-QMMMGPOBSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@@H](CCO)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000820248510 587038063 /nfs/dbraw/zinc/03/80/63/587038063.db2.gz IYTLMFAZSOLGLM-QMMMGPOBSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@@H](CCO)CNc1ncccc1-c1nnn[n-]1 ZINC000820248936 587038299 /nfs/dbraw/zinc/03/82/99/587038299.db2.gz PMKZPMVFCITZMD-QMMMGPOBSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@@H](CCO)CNc1ncccc1-c1nn[n-]n1 ZINC000820248936 587038301 /nfs/dbraw/zinc/03/83/01/587038301.db2.gz PMKZPMVFCITZMD-QMMMGPOBSA-N -1 3 248.290 0.692 20 0 BCADHM CC[C@@H](N[C@H](C)c1nccn1C)C(=O)[O-] ZINC000820418807 587047642 /nfs/dbraw/zinc/04/76/42/587047642.db2.gz HNQOJFJFTWBHGX-HTQZYQBOSA-N -1 3 211.265 0.934 20 0 BCADHM CC[C@H](C)[C@H](NCC(=O)N(C)CC)C(=O)[O-] ZINC000820459621 587049994 /nfs/dbraw/zinc/04/99/94/587049994.db2.gz KRBLOYVGKPFYGI-WPRPVWTQSA-N -1 3 230.308 0.554 20 0 BCADHM CC[C@H](C)[C@H](NCC(=O)N(C)C)C(=O)[O-] ZINC000820459550 587050005 /nfs/dbraw/zinc/05/00/05/587050005.db2.gz BSARPWQPENAZKE-CBAPKCEASA-N -1 3 216.281 0.164 20 0 BCADHM C[C@@H](O)CCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC000820473436 587050609 /nfs/dbraw/zinc/05/06/09/587050609.db2.gz COYIVBQYPIEAND-MRVPVSSYSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@@H](O)CCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC000820473436 587050610 /nfs/dbraw/zinc/05/06/10/587050610.db2.gz COYIVBQYPIEAND-MRVPVSSYSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000820555816 587054264 /nfs/dbraw/zinc/05/42/64/587054264.db2.gz PWWANEWZXYCXKC-LURJTMIESA-N -1 3 249.299 0.833 20 0 BCADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000820555816 587054265 /nfs/dbraw/zinc/05/42/65/587054265.db2.gz PWWANEWZXYCXKC-LURJTMIESA-N -1 3 249.299 0.833 20 0 BCADHM CN(CCC(=O)[O-])CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000820586476 587056948 /nfs/dbraw/zinc/05/69/48/587056948.db2.gz ZHVVJKSODHPBBB-PHIMTYICSA-N -1 3 242.319 0.256 20 0 BCADHM CN1CCC[C@@H](N2CC[C@H](C(=O)[O-])C2)C1=O ZINC000820620157 587059722 /nfs/dbraw/zinc/05/97/22/587059722.db2.gz HUSXITOSDFQTMC-DTWKUNHWSA-N -1 3 226.276 0.014 20 0 BCADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000820716530 587068347 /nfs/dbraw/zinc/06/83/47/587068347.db2.gz JDTSXHJLIPTITQ-ZETCQYMHSA-N -1 3 246.274 0.677 20 0 BCADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000820716530 587068348 /nfs/dbraw/zinc/06/83/48/587068348.db2.gz JDTSXHJLIPTITQ-ZETCQYMHSA-N -1 3 246.274 0.677 20 0 BCADHM CC1(C)C[C@@](C)([N-]S(C)(=O)=O)C(=O)O1 ZINC000820735005 587068968 /nfs/dbraw/zinc/06/89/68/587068968.db2.gz NPXIVWGKDDGGEZ-MRVPVSSYSA-N -1 3 221.278 0.020 20 0 BCADHM CC[C@@H](C)[N-]S(=O)(=O)N=S(C)(C)=O ZINC000820735677 587069004 /nfs/dbraw/zinc/06/90/04/587069004.db2.gz VFDDFBZPEQIWFM-ZCFIWIBFSA-N -1 3 228.339 0.347 20 0 BCADHM CC[C@H](C)[N-]S(=O)(=O)N=S(C)(C)=O ZINC000820735668 587069372 /nfs/dbraw/zinc/06/93/72/587069372.db2.gz VFDDFBZPEQIWFM-LURJTMIESA-N -1 3 228.339 0.347 20 0 BCADHM CCC(CC)[N-]S(=O)(=O)N=S(C)(C)=O ZINC000820748158 587069907 /nfs/dbraw/zinc/06/99/07/587069907.db2.gz GHYXIYKPDWTRNL-UHFFFAOYSA-N -1 3 242.366 0.737 20 0 BCADHM CC(C)C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000820748507 587070015 /nfs/dbraw/zinc/07/00/15/587070015.db2.gz MKANRJHACWGYGW-UHFFFAOYSA-N -1 3 228.339 0.204 20 0 BCADHM CON(C)C(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000820749231 587070290 /nfs/dbraw/zinc/07/02/90/587070290.db2.gz LGJVSBGNAURQJM-SECBINFHSA-N -1 3 244.291 0.193 20 0 BCADHM CO[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC000820845344 587077234 /nfs/dbraw/zinc/07/72/34/587077234.db2.gz WIXRHPOADBKYGY-HLTSFMKQSA-N -1 3 226.276 0.359 20 0 BCADHM CC[C@@H](O)CCNc1ncccc1-c1nnn[n-]1 ZINC000820931363 587082684 /nfs/dbraw/zinc/08/26/84/587082684.db2.gz FOMSQXMLVBZZQW-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@H](O)CCNc1ncccc1-c1nn[n-]n1 ZINC000820931363 587082686 /nfs/dbraw/zinc/08/26/86/587082686.db2.gz FOMSQXMLVBZZQW-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CCCNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821114571 587097201 /nfs/dbraw/zinc/09/72/01/587097201.db2.gz YBEUOQWKBYSKLS-UHFFFAOYSA-N -1 3 245.286 0.935 20 0 BCADHM CCCNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821114571 587097204 /nfs/dbraw/zinc/09/72/04/587097204.db2.gz YBEUOQWKBYSKLS-UHFFFAOYSA-N -1 3 245.286 0.935 20 0 BCADHM CCCOC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821127873 587097694 /nfs/dbraw/zinc/09/76/94/587097694.db2.gz NGTQIGGELMZFRP-UHFFFAOYSA-N -1 3 235.247 0.772 20 0 BCADHM CCCOC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821127873 587097698 /nfs/dbraw/zinc/09/76/98/587097698.db2.gz NGTQIGGELMZFRP-UHFFFAOYSA-N -1 3 235.247 0.772 20 0 BCADHM O=C(CN1CCCC1)[N-]OCc1cccnc1 ZINC000821142323 587098480 /nfs/dbraw/zinc/09/84/80/587098480.db2.gz BNFHLBRGNUWNIU-UHFFFAOYSA-N -1 3 235.287 0.725 20 0 BCADHM Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)CC(=O)[O-] ZINC000821181366 587100490 /nfs/dbraw/zinc/10/04/90/587100490.db2.gz DPIQLCIPLWFENV-CBAPKCEASA-N -1 3 238.291 0.874 20 0 BCADHM O=C([O-])CNC(=O)CN1C2CCCC1CCC2 ZINC000821529059 587125996 /nfs/dbraw/zinc/12/59/96/587125996.db2.gz CGIRACDOAMKZOF-UHFFFAOYSA-N -1 3 240.303 0.594 20 0 BCADHM CCO[C@H](C)C(=O)[N-]c1nnnn1C1CC1 ZINC000821666213 587134193 /nfs/dbraw/zinc/13/41/93/587134193.db2.gz FRIDZGJFHQSIRX-ZCFIWIBFSA-N -1 3 225.252 0.372 20 0 BCADHM O=C([N-]OCC(F)F)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000821938346 587147423 /nfs/dbraw/zinc/14/74/23/587147423.db2.gz RQVZCNZXAPLRAZ-PHDIDXHHSA-N -1 3 231.202 0.826 20 0 BCADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCC(F)F ZINC000821938663 587147869 /nfs/dbraw/zinc/14/78/69/587147869.db2.gz VBIUSUUJQYZJIR-NTSWFWBYSA-N -1 3 237.202 0.499 20 0 BCADHM CCOCCO[N-]C(=O)CN1CCCC1 ZINC000822055461 587150545 /nfs/dbraw/zinc/15/05/45/587150545.db2.gz OLIBNFRCWHGWAP-UHFFFAOYSA-N -1 3 216.281 0.167 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(N)=O ZINC000822221204 587159264 /nfs/dbraw/zinc/15/92/64/587159264.db2.gz FIYTXUACNBMDCC-UHFFFAOYSA-N -1 3 233.231 0.039 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(N)=O ZINC000822221204 587159266 /nfs/dbraw/zinc/15/92/66/587159266.db2.gz FIYTXUACNBMDCC-UHFFFAOYSA-N -1 3 233.231 0.039 20 0 BCADHM CSCCO[N-]C(=O)[C@@H](C)N(C)C ZINC000822593461 587176614 /nfs/dbraw/zinc/17/66/14/587176614.db2.gz CEEFMHSHUACABG-SSDOTTSWSA-N -1 3 206.311 0.347 20 0 BCADHM O=C(CN1CCCC1)[N-]OC/C=C/Cl ZINC000823047303 587199432 /nfs/dbraw/zinc/19/94/32/587199432.db2.gz UMRFWBBQPHJMPM-ONEGZZNKSA-N -1 3 218.684 0.883 20 0 BCADHM O=C(NC1CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823146623 587205344 /nfs/dbraw/zinc/20/53/44/587205344.db2.gz XIXWQFBJXMIUHZ-UHFFFAOYSA-N -1 3 235.272 0.820 20 0 BCADHM O=C(NC1CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823146623 587205345 /nfs/dbraw/zinc/20/53/45/587205345.db2.gz XIXWQFBJXMIUHZ-UHFFFAOYSA-N -1 3 235.272 0.820 20 0 BCADHM CCc1n[n-]c(Cl)c1C(=O)OCC(N)=O ZINC000860224666 589090209 /nfs/dbraw/zinc/09/02/09/589090209.db2.gz WCNHRMYLQOOMRC-UHFFFAOYSA-N -1 3 231.639 0.268 20 0 BCADHM CCc1[n-]nc(Cl)c1C(=O)OCC(N)=O ZINC000860224666 589090211 /nfs/dbraw/zinc/09/02/11/589090211.db2.gz WCNHRMYLQOOMRC-UHFFFAOYSA-N -1 3 231.639 0.268 20 0 BCADHM CC(C)OC1(C(=O)[N-]OCCN(C)C)CCC1 ZINC000823254850 587211211 /nfs/dbraw/zinc/21/12/11/587211211.db2.gz FZZNKQZMWMKRFI-UHFFFAOYSA-N -1 3 244.335 0.944 20 0 BCADHM Cc1nc(NC([O-])=NOCC2CCC2)nn1C ZINC000823508368 587228639 /nfs/dbraw/zinc/22/86/39/587228639.db2.gz HKAYRJHPVLYXGI-UHFFFAOYSA-N -1 3 239.279 0.977 20 0 BCADHM Cc1nc(NC(=O)[N-]OCC2CCC2)nn1C ZINC000823508368 587228641 /nfs/dbraw/zinc/22/86/41/587228641.db2.gz HKAYRJHPVLYXGI-UHFFFAOYSA-N -1 3 239.279 0.977 20 0 BCADHM O=C1NCC[C@@H]1Nc1cccc(-c2nnn[n-]2)c1 ZINC000823548131 587230725 /nfs/dbraw/zinc/23/07/25/587230725.db2.gz UMRORYZSHKOGES-VIFPVBQESA-N -1 3 244.258 0.167 20 0 BCADHM O=C1NCC[C@@H]1Nc1cccc(-c2nn[n-]n2)c1 ZINC000823548131 587230727 /nfs/dbraw/zinc/23/07/27/587230727.db2.gz UMRORYZSHKOGES-VIFPVBQESA-N -1 3 244.258 0.167 20 0 BCADHM O=C(NC[C@@H]1COCO1)c1cc(F)c[n-]c1=O ZINC000823558693 587231031 /nfs/dbraw/zinc/23/10/31/587231031.db2.gz MAPVNBPQEDOGNT-SSDOTTSWSA-N -1 3 242.206 0.029 20 0 BCADHM CC(=O)NCCCN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000823580316 587232064 /nfs/dbraw/zinc/23/20/64/587232064.db2.gz RNMYOGZZENWVBN-JTQLQIEISA-N -1 3 243.307 0.197 20 0 BCADHM OC[C@H](NCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000823707252 587237187 /nfs/dbraw/zinc/23/71/87/587237187.db2.gz XTBATFAVCSSZIP-VIFPVBQESA-N -1 3 249.274 0.320 20 0 BCADHM O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000823707095 587237366 /nfs/dbraw/zinc/23/73/66/587237366.db2.gz WPUBCWNBOKTCDC-SECBINFHSA-N -1 3 246.274 0.223 20 0 BCADHM O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000823707095 587237367 /nfs/dbraw/zinc/23/73/67/587237367.db2.gz WPUBCWNBOKTCDC-SECBINFHSA-N -1 3 246.274 0.223 20 0 BCADHM OCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000823721647 587238192 /nfs/dbraw/zinc/23/81/92/587238192.db2.gz FYUUMQPZMGZJTR-UHFFFAOYSA-N -1 3 223.211 0.410 20 0 BCADHM OCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000823721647 587238193 /nfs/dbraw/zinc/23/81/93/587238193.db2.gz FYUUMQPZMGZJTR-UHFFFAOYSA-N -1 3 223.211 0.410 20 0 BCADHM c1cc(-c2nnn[n-]2)ncc1N[C@H]1CCCOC1 ZINC000823748243 587239037 /nfs/dbraw/zinc/23/90/37/587239037.db2.gz SAGBVFUSGFDLDT-VIFPVBQESA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(-c2nn[n-]n2)ncc1N[C@H]1CCCOC1 ZINC000823748243 587239038 /nfs/dbraw/zinc/23/90/38/587239038.db2.gz SAGBVFUSGFDLDT-VIFPVBQESA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(-c2nnn[n-]2)ncc1N1CCCOCC1 ZINC000823747245 587239199 /nfs/dbraw/zinc/23/91/99/587239199.db2.gz DNTHEBNJGNNOIV-UHFFFAOYSA-N -1 3 246.274 0.488 20 0 BCADHM c1cc(-c2nn[n-]n2)ncc1N1CCCOCC1 ZINC000823747245 587239200 /nfs/dbraw/zinc/23/92/00/587239200.db2.gz DNTHEBNJGNNOIV-UHFFFAOYSA-N -1 3 246.274 0.488 20 0 BCADHM c1cc(-c2nnn[n-]2)ncc1NC1CC1 ZINC000823746921 587239350 /nfs/dbraw/zinc/23/93/50/587239350.db2.gz AHVOARPKPZULAH-UHFFFAOYSA-N -1 3 202.221 0.836 20 0 BCADHM c1cc(-c2nn[n-]n2)ncc1NC1CC1 ZINC000823746921 587239351 /nfs/dbraw/zinc/23/93/51/587239351.db2.gz AHVOARPKPZULAH-UHFFFAOYSA-N -1 3 202.221 0.836 20 0 BCADHM C=COCCOC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000823936943 587246336 /nfs/dbraw/zinc/24/63/36/587246336.db2.gz ANDCQGMMJSLMHO-UHFFFAOYSA-N -1 3 249.230 0.512 20 0 BCADHM CC(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824249836 587262956 /nfs/dbraw/zinc/26/29/56/587262956.db2.gz VNSLCKWPYBEYLG-UHFFFAOYSA-N -1 3 248.290 0.971 20 0 BCADHM CC(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824249836 587262957 /nfs/dbraw/zinc/26/29/57/587262957.db2.gz VNSLCKWPYBEYLG-UHFFFAOYSA-N -1 3 248.290 0.971 20 0 BCADHM Cc1nc(C[N-]C(=O)C(F)F)sc1C(N)=O ZINC000824333916 587266253 /nfs/dbraw/zinc/26/62/53/587266253.db2.gz PISJJUDHBZTOAW-UHFFFAOYSA-N -1 3 249.242 0.432 20 0 BCADHM CC(C)OC[C@H](O)CN(C)[C@@H](C)CNC(=O)[O-] ZINC000824394970 587267567 /nfs/dbraw/zinc/26/75/67/587267567.db2.gz ZJSCQISBDWCUGG-VHSXEESVSA-N -1 3 248.323 0.360 20 0 BCADHM CC(C)N1CCN([C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000824363220 587267768 /nfs/dbraw/zinc/26/77/68/587267768.db2.gz QCWJVGHZDLEARM-NSHDSACASA-N -1 3 241.335 0.765 20 0 BCADHM C[C@H](CCCO)Nc1cnccc1-c1nnn[n-]1 ZINC000824400201 587269321 /nfs/dbraw/zinc/26/93/21/587269321.db2.gz BZTQNJKDWFNHIV-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@H](CCCO)Nc1cnccc1-c1nn[n-]n1 ZINC000824400201 587269322 /nfs/dbraw/zinc/26/93/22/587269322.db2.gz BZTQNJKDWFNHIV-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@H](CCO)CNc1cnccc1-c1nnn[n-]1 ZINC000824406442 587269581 /nfs/dbraw/zinc/26/95/81/587269581.db2.gz JYJMGCDZMISNAB-MRVPVSSYSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@H](CCO)CNc1cnccc1-c1nn[n-]n1 ZINC000824406442 587269582 /nfs/dbraw/zinc/26/95/82/587269582.db2.gz JYJMGCDZMISNAB-MRVPVSSYSA-N -1 3 248.290 0.692 20 0 BCADHM Cc1cnn(C)c1NC([O-])=NOC(C)(C)CO ZINC000824416555 587269797 /nfs/dbraw/zinc/26/97/97/587269797.db2.gz POZIAOSLEJQXIF-UHFFFAOYSA-N -1 3 242.279 0.553 20 0 BCADHM Cc1cnn(C)c1NC(=O)[N-]OC(C)(C)CO ZINC000824416555 587269798 /nfs/dbraw/zinc/26/97/98/587269798.db2.gz POZIAOSLEJQXIF-UHFFFAOYSA-N -1 3 242.279 0.553 20 0 BCADHM CC(C)[C@@H](CO)ON=C([O-])Nc1cnn(C)c1 ZINC000824487664 587272062 /nfs/dbraw/zinc/27/20/62/587272062.db2.gz RIYBPPYQOJDWCI-SECBINFHSA-N -1 3 242.279 0.490 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)Nc1cnn(C)c1 ZINC000824487664 587272064 /nfs/dbraw/zinc/27/20/64/587272064.db2.gz RIYBPPYQOJDWCI-SECBINFHSA-N -1 3 242.279 0.490 20 0 BCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000824507173 587272439 /nfs/dbraw/zinc/27/24/39/587272439.db2.gz VECGWZVQHCQBKM-ZCFIWIBFSA-N -1 3 246.274 0.723 20 0 BCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000824507173 587272440 /nfs/dbraw/zinc/27/24/40/587272440.db2.gz VECGWZVQHCQBKM-ZCFIWIBFSA-N -1 3 246.274 0.723 20 0 BCADHM C[C@@H](CCNCc1ccnn1C)NC(=O)[O-] ZINC000824801235 587287695 /nfs/dbraw/zinc/28/76/95/587287695.db2.gz BFFLMBBBUXMNBD-QMMMGPOBSA-N -1 3 226.280 0.556 20 0 BCADHM C[C@]1(NCc2ccc(-c3nnn[n-]3)o2)CCOC1 ZINC000824839104 587290055 /nfs/dbraw/zinc/29/00/55/587290055.db2.gz YSVSRXDQCWWCNO-NSHDSACASA-N -1 3 249.274 0.728 20 0 BCADHM C[C@]1(NCc2ccc(-c3nn[n-]n3)o2)CCOC1 ZINC000824839104 587290056 /nfs/dbraw/zinc/29/00/56/587290056.db2.gz YSVSRXDQCWWCNO-NSHDSACASA-N -1 3 249.274 0.728 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824900004 587292301 /nfs/dbraw/zinc/29/23/01/587292301.db2.gz RHNYFQSARSQFKC-IYSWYEEDSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824900004 587292302 /nfs/dbraw/zinc/29/23/02/587292302.db2.gz RHNYFQSARSQFKC-IYSWYEEDSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@@H]1C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824897839 587292332 /nfs/dbraw/zinc/29/23/32/587292332.db2.gz BPFTVOYEMSHKGA-RQJHMYQMSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@@H]1C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824897839 587292333 /nfs/dbraw/zinc/29/23/33/587292333.db2.gz BPFTVOYEMSHKGA-RQJHMYQMSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@H]1C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824900825 587292811 /nfs/dbraw/zinc/29/28/11/587292811.db2.gz WLAMJZDITMDRHH-NKWVEPMBSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@H]1C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824900825 587292812 /nfs/dbraw/zinc/29/28/12/587292812.db2.gz WLAMJZDITMDRHH-NKWVEPMBSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@H](CNC(=O)[O-])N(C)CC[C@H]1CCOC1=O ZINC000824967378 587295786 /nfs/dbraw/zinc/29/57/86/587295786.db2.gz ROCPXVPRYQMTCR-BDAKNGLRSA-N -1 3 244.291 0.528 20 0 BCADHM C[C@@H]1OCC[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC000825021762 587298943 /nfs/dbraw/zinc/29/89/43/587298943.db2.gz UHQKIUARAJYMAA-CBAPKCEASA-N -1 3 246.274 0.851 20 0 BCADHM C[C@@H]1OCC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC000825021762 587298945 /nfs/dbraw/zinc/29/89/45/587298945.db2.gz UHQKIUARAJYMAA-CBAPKCEASA-N -1 3 246.274 0.851 20 0 BCADHM C[C@@H]1OCC[C@@H]1NCc1ccc(-c2nnn[n-]2)o1 ZINC000825021876 587299168 /nfs/dbraw/zinc/29/91/68/587299168.db2.gz VADUKUWRQVWHPG-CBAPKCEASA-N -1 3 249.274 0.727 20 0 BCADHM C[C@@H]1OCC[C@@H]1NCc1ccc(-c2nn[n-]n2)o1 ZINC000825021876 587299170 /nfs/dbraw/zinc/29/91/70/587299170.db2.gz VADUKUWRQVWHPG-CBAPKCEASA-N -1 3 249.274 0.727 20 0 BCADHM CCC[C@@H](O)CNc1cnccc1-c1nnn[n-]1 ZINC000825248731 587311018 /nfs/dbraw/zinc/31/10/18/587311018.db2.gz XPXMZPVSYUHWHO-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CCC[C@@H](O)CNc1cnccc1-c1nn[n-]n1 ZINC000825248731 587311020 /nfs/dbraw/zinc/31/10/20/587311020.db2.gz XPXMZPVSYUHWHO-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CCCOC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825338804 587315714 /nfs/dbraw/zinc/31/57/14/587315714.db2.gz HXGJFZAEJYBWAU-UHFFFAOYSA-N -1 3 221.220 0.762 20 0 BCADHM CCCOC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825338804 587315715 /nfs/dbraw/zinc/31/57/15/587315715.db2.gz HXGJFZAEJYBWAU-UHFFFAOYSA-N -1 3 221.220 0.762 20 0 BCADHM CCN(CCO)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825424991 587319144 /nfs/dbraw/zinc/31/91/44/587319144.db2.gz WXKONNQHEBZXGO-UHFFFAOYSA-N -1 3 248.290 0.076 20 0 BCADHM C[C@H](N[C@@H]1CCN(C(=O)[O-])C1)c1cnn(C)c1 ZINC000825479875 587321129 /nfs/dbraw/zinc/32/11/29/587321129.db2.gz QPFKULFZJGEMPD-WCBMZHEXSA-N -1 3 238.291 0.823 20 0 BCADHM CC(C)N1CCC[C@@H]1C(=O)N(C)c1nnn[n-]1 ZINC000825532446 587323693 /nfs/dbraw/zinc/32/36/93/587323693.db2.gz WCALVCSTXZVMPX-MRVPVSSYSA-N -1 3 238.295 0.035 20 0 BCADHM CC(C)N1CCC[C@@H]1C(=O)N(C)c1nn[n-]n1 ZINC000825532446 587323695 /nfs/dbraw/zinc/32/36/95/587323695.db2.gz WCALVCSTXZVMPX-MRVPVSSYSA-N -1 3 238.295 0.035 20 0 BCADHM CC(C)N1CCC[C@H]1C(=O)N(C)c1nnn[n-]1 ZINC000825532452 587323993 /nfs/dbraw/zinc/32/39/93/587323993.db2.gz WCALVCSTXZVMPX-QMMMGPOBSA-N -1 3 238.295 0.035 20 0 BCADHM CC(C)N1CCC[C@H]1C(=O)N(C)c1nn[n-]n1 ZINC000825532452 587323994 /nfs/dbraw/zinc/32/39/94/587323994.db2.gz WCALVCSTXZVMPX-QMMMGPOBSA-N -1 3 238.295 0.035 20 0 BCADHM CCOCCNc1cnccc1-c1nnn[n-]1 ZINC000825599349 587326676 /nfs/dbraw/zinc/32/66/76/587326676.db2.gz KXJSPKABWAPICZ-UHFFFAOYSA-N -1 3 234.263 0.710 20 0 BCADHM CCOCCNc1cnccc1-c1nn[n-]n1 ZINC000825599349 587326677 /nfs/dbraw/zinc/32/66/77/587326677.db2.gz KXJSPKABWAPICZ-UHFFFAOYSA-N -1 3 234.263 0.710 20 0 BCADHM CCOCCn1ccc(-c2nnn[n-]2)c1 ZINC000825604419 587326925 /nfs/dbraw/zinc/32/69/25/587326925.db2.gz IVURCGXSIYXNJR-UHFFFAOYSA-N -1 3 207.237 0.705 20 0 BCADHM CCOCCn1ccc(-c2nn[n-]n2)c1 ZINC000825604419 587326926 /nfs/dbraw/zinc/32/69/26/587326926.db2.gz IVURCGXSIYXNJR-UHFFFAOYSA-N -1 3 207.237 0.705 20 0 BCADHM C/C(=C\CN1CCC[C@H](OCCO)C1)C(=O)[O-] ZINC000825742021 587335396 /nfs/dbraw/zinc/33/53/96/587335396.db2.gz VERCNHXXQQUVEM-INJWIWPUSA-N -1 3 243.303 0.491 20 0 BCADHM C[C@@H]1C[C@H](NC2CN(C(=O)[O-])C2)CN1C1CC1 ZINC000825852989 587341706 /nfs/dbraw/zinc/34/17/06/587341706.db2.gz SAQNHKAGMFEPSY-BDAKNGLRSA-N -1 3 239.319 0.563 20 0 BCADHM C[C@H]1CN(CCNC(=O)[O-])CCCO1 ZINC000826059475 587349866 /nfs/dbraw/zinc/34/98/66/587349866.db2.gz VIUWRJKWCRKMSD-QMMMGPOBSA-N -1 3 202.254 0.365 20 0 BCADHM C[C@H]1CN2CCCC[C@H]2CN1CCNC(=O)[O-] ZINC000826088512 587350538 /nfs/dbraw/zinc/35/05/38/587350538.db2.gz YINBFGAZDQBFSX-QWRGUYRKSA-N -1 3 241.335 0.813 20 0 BCADHM CCO[N-]C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000826088487 587350659 /nfs/dbraw/zinc/35/06/59/587350659.db2.gz TUPRVLHAUZWNMO-SNVBAGLBSA-N -1 3 226.251 0.936 20 0 BCADHM C[C@H]1CN2CCCC[C@@H]2CN1CCNC(=O)[O-] ZINC000826088513 587350695 /nfs/dbraw/zinc/35/06/95/587350695.db2.gz YINBFGAZDQBFSX-WDEREUQCSA-N -1 3 241.335 0.813 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)CCO)n1 ZINC000826275262 587351625 /nfs/dbraw/zinc/35/16/25/587351625.db2.gz UUDVCYTYKHTKTL-QMMMGPOBSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)CCO)n1 ZINC000826275262 587351626 /nfs/dbraw/zinc/35/16/26/587351626.db2.gz UUDVCYTYKHTKTL-QMMMGPOBSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccnc(NCC[C@@H](C)O)c1-c1nnn[n-]1 ZINC000826313278 587351960 /nfs/dbraw/zinc/35/19/60/587351960.db2.gz AUIQHVKCWGEVMZ-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccnc(NCC[C@@H](C)O)c1-c1nn[n-]n1 ZINC000826313278 587351961 /nfs/dbraw/zinc/35/19/61/587351961.db2.gz AUIQHVKCWGEVMZ-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1cn(Cc2ccnn2C)cc1-c1nnn[n-]1 ZINC000826317039 587352137 /nfs/dbraw/zinc/35/21/37/587352137.db2.gz KILLFKFBEMUPRB-UHFFFAOYSA-N -1 3 243.274 0.758 20 0 BCADHM Cc1cn(Cc2ccnn2C)cc1-c1nn[n-]n1 ZINC000826317039 587352138 /nfs/dbraw/zinc/35/21/38/587352138.db2.gz KILLFKFBEMUPRB-UHFFFAOYSA-N -1 3 243.274 0.758 20 0 BCADHM Cc1ccnc(NCC[C@H](C)O)c1-c1nnn[n-]1 ZINC000826313279 587352227 /nfs/dbraw/zinc/35/22/27/587352227.db2.gz AUIQHVKCWGEVMZ-QMMMGPOBSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccnc(NCC[C@H](C)O)c1-c1nn[n-]n1 ZINC000826313279 587352228 /nfs/dbraw/zinc/35/22/28/587352228.db2.gz AUIQHVKCWGEVMZ-QMMMGPOBSA-N -1 3 248.290 0.753 20 0 BCADHM OC1(CNc2cnccc2-c2nnn[n-]2)CCC1 ZINC000826506153 587353039 /nfs/dbraw/zinc/35/30/39/587353039.db2.gz NPPCTUPDPXUMTB-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM OC1(CNc2cnccc2-c2nn[n-]n2)CCC1 ZINC000826506153 587353040 /nfs/dbraw/zinc/35/30/40/587353040.db2.gz NPPCTUPDPXUMTB-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM O=C(Nc1cc[nH]n1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826451395 587353213 /nfs/dbraw/zinc/35/32/13/587353213.db2.gz FDHAUDFEVYBPDB-UHFFFAOYSA-N -1 3 244.218 0.170 20 0 BCADHM O=C(Nc1cc[nH]n1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826451395 587353214 /nfs/dbraw/zinc/35/32/14/587353214.db2.gz FDHAUDFEVYBPDB-UHFFFAOYSA-N -1 3 244.218 0.170 20 0 BCADHM c1cc(CNc2cnccc2-c2nnn[n-]2)n[nH]1 ZINC000826513054 587353788 /nfs/dbraw/zinc/35/37/88/587353788.db2.gz YVWLDVXIRKWCFU-UHFFFAOYSA-N -1 3 242.246 0.597 20 0 BCADHM c1cc(CNc2cnccc2-c2nn[n-]n2)n[nH]1 ZINC000826513054 587353789 /nfs/dbraw/zinc/35/37/89/587353789.db2.gz YVWLDVXIRKWCFU-UHFFFAOYSA-N -1 3 242.246 0.597 20 0 BCADHM OCCC1CN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826509116 587353809 /nfs/dbraw/zinc/35/38/09/587353809.db2.gz LXFRSKSIRGBDAL-UHFFFAOYSA-N -1 3 246.274 0.080 20 0 BCADHM OCCC1CN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826509116 587353810 /nfs/dbraw/zinc/35/38/10/587353810.db2.gz LXFRSKSIRGBDAL-UHFFFAOYSA-N -1 3 246.274 0.080 20 0 BCADHM CC(C)[C@H]1CCN(CC(=O)NCCC(=O)[O-])C1 ZINC000826736026 587360791 /nfs/dbraw/zinc/36/07/91/587360791.db2.gz MNZCBLKFUDIGMC-JTQLQIEISA-N -1 3 242.319 0.555 20 0 BCADHM CC(C)N(C)CC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000826930429 587365929 /nfs/dbraw/zinc/36/59/29/587365929.db2.gz OBMFDHJQSODOEW-SNVBAGLBSA-N -1 3 242.319 0.696 20 0 BCADHM CC(C)N(C)CC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000826930428 587365948 /nfs/dbraw/zinc/36/59/48/587365948.db2.gz OBMFDHJQSODOEW-JTQLQIEISA-N -1 3 242.319 0.696 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)NC[C@H](C)N(C)C ZINC000827283371 587375236 /nfs/dbraw/zinc/37/52/36/587375236.db2.gz VMDVLNXJXCMIOG-SFYZADRCSA-N -1 3 216.281 0.164 20 0 BCADHM CCOC[C@H](O)CN1CCC[C@@H]1CNC(=O)[O-] ZINC000827390317 587379543 /nfs/dbraw/zinc/37/95/43/587379543.db2.gz ZAIKDVFXRXEMCS-NXEZZACHSA-N -1 3 246.307 0.116 20 0 BCADHM CN(C(=O)[O-])[C@H]1CCCN(CCO)C1 ZINC000827821717 587403929 /nfs/dbraw/zinc/40/39/29/587403929.db2.gz BYHCLJBUTCCKHV-QMMMGPOBSA-N -1 3 202.254 0.053 20 0 BCADHM CN(C(=O)[O-])[C@@H]1CCN(CCn2cccn2)C1 ZINC000827889480 587408018 /nfs/dbraw/zinc/40/80/18/587408018.db2.gz IGBPYXLFMWILOD-SNVBAGLBSA-N -1 3 238.291 0.567 20 0 BCADHM CN(C)C(=O)CCN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827953555 587412931 /nfs/dbraw/zinc/41/29/31/587412931.db2.gz JFURVSCASDKKNL-SECBINFHSA-N -1 3 243.307 0.149 20 0 BCADHM CN(C)C(=O)CCN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827953394 587413107 /nfs/dbraw/zinc/41/31/07/587413107.db2.gz IEYCNKZFKXUMTL-VIFPVBQESA-N -1 3 243.307 0.149 20 0 BCADHM CN(C)C(=O)CN[C@](C)(CNC(=O)[O-])C1CC1 ZINC000827959677 587413416 /nfs/dbraw/zinc/41/34/16/587413416.db2.gz AZTUJWHOLXTFIT-LLVKDONJSA-N -1 3 243.307 0.101 20 0 BCADHM CN(C)[C@]1(CNC(=O)[O-])CCSC1 ZINC000828000288 587416146 /nfs/dbraw/zinc/41/61/46/587416146.db2.gz ITULZQFTFXLBIQ-QMMMGPOBSA-N -1 3 204.295 0.691 20 0 BCADHM CN(C)CCN(C)C(=O)CCCNC(=O)[O-] ZINC000828030411 587417127 /nfs/dbraw/zinc/41/71/27/587417127.db2.gz HULUDRMJRVUUEM-UHFFFAOYSA-N -1 3 231.296 0.054 20 0 BCADHM CN(C)CCNC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000828036833 587417209 /nfs/dbraw/zinc/41/72/09/587417209.db2.gz HXMQIXFCBQOJHJ-NSHDSACASA-N -1 3 243.307 0.054 20 0 BCADHM C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@@H]1C(=O)[O-] ZINC000828326040 587434797 /nfs/dbraw/zinc/43/47/97/587434797.db2.gz LCXIFOUPAZTOOL-KXUCPTDWSA-N -1 3 240.303 0.260 20 0 BCADHM CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000828333476 587436243 /nfs/dbraw/zinc/43/62/43/587436243.db2.gz IDHJDKWBBVPOKO-UWVGGRQHSA-N -1 3 242.319 0.506 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@H](C)[C@H](C)C1 ZINC000828420734 587441480 /nfs/dbraw/zinc/44/14/80/587441480.db2.gz CPZFONJMRAZBRZ-IWSPIJDZSA-N -1 3 228.292 0.164 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000828595437 587452192 /nfs/dbraw/zinc/45/21/92/587452192.db2.gz YNTNSVSXWONFGU-DTWKUNHWSA-N -1 3 249.332 0.216 20 0 BCADHM CCOc1nc(NC(=O)CC2(C)COC2)n[n-]1 ZINC000828655171 587455733 /nfs/dbraw/zinc/45/57/33/587455733.db2.gz XWNZEEOBYPJIJA-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1nnc(NC(=O)CC2(C)COC2)[n-]1 ZINC000828655171 587455734 /nfs/dbraw/zinc/45/57/34/587455734.db2.gz XWNZEEOBYPJIJA-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1n[n-]c(NC(=O)CC2(C)COC2)n1 ZINC000828655171 587455735 /nfs/dbraw/zinc/45/57/35/587455735.db2.gz XWNZEEOBYPJIJA-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COC(=O)CCCN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000828670562 587456393 /nfs/dbraw/zinc/45/63/93/587456393.db2.gz GJLVDBPBLQREPH-VIFPVBQESA-N -1 3 244.291 0.624 20 0 BCADHM COC(C)(C)CN(C)CCNC(=O)[O-] ZINC000828816899 587464068 /nfs/dbraw/zinc/46/40/68/587464068.db2.gz DQHVUOVECBMBEA-UHFFFAOYSA-N -1 3 204.270 0.611 20 0 BCADHM COC[C@H]1CCCN(CCNC(=O)[O-])C1 ZINC000828920467 587472081 /nfs/dbraw/zinc/47/20/81/587472081.db2.gz MPVVFGJPVQDRJD-VIFPVBQESA-N -1 3 216.281 0.612 20 0 BCADHM CC[C@H]1CCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000829125168 587483763 /nfs/dbraw/zinc/48/37/63/587483763.db2.gz GZCOZPUOMUSPFJ-BDAKNGLRSA-N -1 3 228.292 0.308 20 0 BCADHM CC[C@H]1CCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000829125171 587483936 /nfs/dbraw/zinc/48/39/36/587483936.db2.gz GZCOZPUOMUSPFJ-IUCAKERBSA-N -1 3 228.292 0.308 20 0 BCADHM CCCN(C)CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000829459412 587498945 /nfs/dbraw/zinc/49/89/45/587498945.db2.gz WOOBXIKRXOIZIY-GFCCVEGCSA-N -1 3 242.319 0.651 20 0 BCADHM CCN(C)C(=O)CCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000829608618 587505983 /nfs/dbraw/zinc/50/59/83/587505983.db2.gz NGWMQMGXQLEGEM-NSHDSACASA-N -1 3 246.282 0.353 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H]1CCCN(C)C1=O ZINC000829637700 587507103 /nfs/dbraw/zinc/50/71/03/587507103.db2.gz KWJVOODSGOXXMB-SSDOTTSWSA-N -1 3 234.246 0.769 20 0 BCADHM COCCO[N-]C(=O)C[C@@H](C)n1ccc(C)n1 ZINC000829678790 587508726 /nfs/dbraw/zinc/50/87/26/587508726.db2.gz VQBIFNQMYWHZMI-SNVBAGLBSA-N -1 3 241.291 0.837 20 0 BCADHM CCN(CC)CC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000829672067 587508902 /nfs/dbraw/zinc/50/89/02/587508902.db2.gz XZPFHDBSPRYMPG-SNVBAGLBSA-N -1 3 228.292 0.308 20 0 BCADHM CCN1C[C@@H](C)[C@H](NC(=O)CCC(=O)[O-])C1 ZINC000829746168 587513246 /nfs/dbraw/zinc/51/32/46/587513246.db2.gz VVPKJALFVRKMSR-RKDXNWHRSA-N -1 3 228.292 0.308 20 0 BCADHM CCN1CCC[C@H](NC(=O)[C@H](C)CC(=O)[O-])C1 ZINC000829765340 587514636 /nfs/dbraw/zinc/51/46/36/587514636.db2.gz QDZPUFIXGCHLOR-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CCOC(=O)[C@H](CC)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000829823002 587520265 /nfs/dbraw/zinc/52/02/65/587520265.db2.gz QMNZLKHRFYQRJP-GUBZILKMSA-N -1 3 243.303 0.981 20 0 BCADHM CCc1cccc(C(=O)N2CC=C(N)N2)c1[O-] ZINC000829841009 587522474 /nfs/dbraw/zinc/52/24/74/587522474.db2.gz RCCFMCUILIVDCM-UHFFFAOYSA-N -1 3 233.271 0.715 20 0 BCADHM CC[C@@H](O)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000830174486 587540278 /nfs/dbraw/zinc/54/02/78/587540278.db2.gz MTXPWQPTQURSSD-VXNVDRBHSA-N -1 3 205.229 0.256 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1c[n-]nn1 ZINC000830251184 587544058 /nfs/dbraw/zinc/54/40/58/587544058.db2.gz JWGKXVMLTUCFND-DTWKUNHWSA-N -1 3 236.275 0.350 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1cnn[n-]1 ZINC000830251184 587544059 /nfs/dbraw/zinc/54/40/59/587544059.db2.gz JWGKXVMLTUCFND-DTWKUNHWSA-N -1 3 236.275 0.350 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1cn[n-]n1 ZINC000830251184 587544061 /nfs/dbraw/zinc/54/40/61/587544061.db2.gz JWGKXVMLTUCFND-DTWKUNHWSA-N -1 3 236.275 0.350 20 0 BCADHM CCOc1nnc(NC(=O)C2=COCCC2)[n-]1 ZINC000830397413 587549134 /nfs/dbraw/zinc/54/91/34/587549134.db2.gz VHJGXXFEWMZJNO-UHFFFAOYSA-N -1 3 238.247 0.836 20 0 BCADHM CCOc1nc(NC(=O)C2=COCCC2)n[n-]1 ZINC000830397413 587549136 /nfs/dbraw/zinc/54/91/36/587549136.db2.gz VHJGXXFEWMZJNO-UHFFFAOYSA-N -1 3 238.247 0.836 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2=COCCC2)n1 ZINC000830397413 587549137 /nfs/dbraw/zinc/54/91/37/587549137.db2.gz VHJGXXFEWMZJNO-UHFFFAOYSA-N -1 3 238.247 0.836 20 0 BCADHM CCOc1nnc(NC(=O)Cc2ccoc2)[n-]1 ZINC000830399463 587549910 /nfs/dbraw/zinc/54/99/10/587549910.db2.gz IBCBEVZZQJONKF-UHFFFAOYSA-N -1 3 236.231 0.978 20 0 BCADHM CCOc1nc(NC(=O)Cc2ccoc2)n[n-]1 ZINC000830399463 587549911 /nfs/dbraw/zinc/54/99/11/587549911.db2.gz IBCBEVZZQJONKF-UHFFFAOYSA-N -1 3 236.231 0.978 20 0 BCADHM CCOc1n[n-]c(NC(=O)Cc2ccoc2)n1 ZINC000830399463 587549912 /nfs/dbraw/zinc/54/99/12/587549912.db2.gz IBCBEVZZQJONKF-UHFFFAOYSA-N -1 3 236.231 0.978 20 0 BCADHM CN1CCC[C@@H]1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000830935278 587577852 /nfs/dbraw/zinc/57/78/52/587577852.db2.gz USUXVPWHKZSQEM-BXKDBHETSA-N -1 3 240.303 0.404 20 0 BCADHM Cn1cc([C@@H]2CCN(CCNC(=O)[O-])C2)cn1 ZINC000830992984 587580378 /nfs/dbraw/zinc/58/03/78/587580378.db2.gz CXWHZNKIUMQUJY-SECBINFHSA-N -1 3 238.291 0.477 20 0 BCADHM Cn1cc([C@H]2CCN(CCNC(=O)[O-])C2)cn1 ZINC000830992985 587580498 /nfs/dbraw/zinc/58/04/98/587580498.db2.gz CXWHZNKIUMQUJY-VIFPVBQESA-N -1 3 238.291 0.477 20 0 BCADHM COC(=O)[C@@H]1CCN(C/C=C(/C)C(=O)[O-])C1 ZINC000831115254 587586534 /nfs/dbraw/zinc/58/65/34/587586534.db2.gz WRFFTOBBPNINIP-PTDYZRSTSA-N -1 3 227.260 0.512 20 0 BCADHM CC[C@H](C[C@H](C)O)NC(=O)c1cc(=O)[n-]cn1 ZINC000831334787 587599136 /nfs/dbraw/zinc/59/91/36/587599136.db2.gz PRFMWCZLNYIWAD-JGVFFNPUSA-N -1 3 239.275 0.462 20 0 BCADHM CC[C@H](C[C@@H](C)O)NC(=O)c1cc(=O)[n-]cn1 ZINC000831334786 587599677 /nfs/dbraw/zinc/59/96/77/587599677.db2.gz PRFMWCZLNYIWAD-HTQZYQBOSA-N -1 3 239.275 0.462 20 0 BCADHM COC[C@H](C)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000831643901 587625791 /nfs/dbraw/zinc/62/57/91/587625791.db2.gz RPWDNQQEQMHTOI-CBAPKCEASA-N -1 3 205.229 0.520 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccc(N)cc2[O-])CCN1 ZINC000831583336 587621216 /nfs/dbraw/zinc/62/12/16/587621216.db2.gz QQGVJAXOYNUSKW-MRVPVSSYSA-N -1 3 235.287 0.408 20 0 BCADHM COC[C@@](C)(CC(=O)[O-])NCc1cncn1C ZINC000831584100 587621447 /nfs/dbraw/zinc/62/14/47/587621447.db2.gz CODYFMUBGMLDJU-LLVKDONJSA-N -1 3 241.291 0.390 20 0 BCADHM COC[C@](C)(O)CNCc1c[nH]c(C(=O)[O-])c1 ZINC000831638066 587625235 /nfs/dbraw/zinc/62/52/35/587625235.db2.gz QJPPTHZTFOCXDN-LLVKDONJSA-N -1 3 242.275 0.200 20 0 BCADHM O=C([O-])N1CC[C@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000831953958 587638304 /nfs/dbraw/zinc/63/83/04/587638304.db2.gz WFELKUKBQZUGQQ-NTSWFWBYSA-N -1 3 242.197 0.252 20 0 BCADHM O=C([O-])N1CC[C@H](NCc2cc[nH]c2)C1 ZINC000831958293 587638717 /nfs/dbraw/zinc/63/87/17/587638717.db2.gz BAWZZMWXJGKJCH-VIFPVBQESA-N -1 3 209.249 0.857 20 0 BCADHM O=C([O-])N1CCC[C@@H]1C1CCN(CCO)CC1 ZINC000832007129 587642383 /nfs/dbraw/zinc/64/23/83/587642383.db2.gz XRRKFBUUXVFBFB-LLVKDONJSA-N -1 3 242.319 0.833 20 0 BCADHM O=C([O-])N1CCN(C[C@H]2CCCOC2)CC1 ZINC000832031291 587643068 /nfs/dbraw/zinc/64/30/68/587643068.db2.gz LESVPOIFKXRTLX-SNVBAGLBSA-N -1 3 228.292 0.709 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CC1(O)CCC1 ZINC000832157480 587646896 /nfs/dbraw/zinc/64/68/96/587646896.db2.gz XVKGASNVWMUAQA-UHFFFAOYSA-N -1 3 245.275 0.293 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CC[C@@H]2CCOC2=O)C1 ZINC000832386915 587657011 /nfs/dbraw/zinc/65/70/11/587657011.db2.gz SFAUEECWNWQAAL-RKDXNWHRSA-N -1 3 242.275 0.282 20 0 BCADHM O=C([O-])N[C@H]1CCN(CC[C@@H]2CCOC2=O)C1 ZINC000832386912 587657132 /nfs/dbraw/zinc/65/71/32/587657132.db2.gz SFAUEECWNWQAAL-BDAKNGLRSA-N -1 3 242.275 0.282 20 0 BCADHM O=C(CCCc1cccnc1)[N-]OCCO ZINC000832405114 587658354 /nfs/dbraw/zinc/65/83/54/587658354.db2.gz GYZFRXUAUTVVGO-UHFFFAOYSA-N -1 3 224.260 0.444 20 0 BCADHM C/C(=C\C(=O)[N-]OCCO)c1ccco1 ZINC000832406629 587658707 /nfs/dbraw/zinc/65/87/07/587658707.db2.gz ZXCIGEYUGAALFF-BQYQJAHWSA-N -1 3 211.217 0.723 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1nnc(N)o1 ZINC000832461017 587661307 /nfs/dbraw/zinc/66/13/07/587661307.db2.gz MHMLTJVYOLBLSB-UHFFFAOYSA-N -1 3 220.179 0.313 20 0 BCADHM O=C([O-])NCCN1CCC[C@@H](n2ccnc2)C1 ZINC000832641948 587672114 /nfs/dbraw/zinc/67/21/14/587672114.db2.gz PDLVBZAKOPVEFS-SNVBAGLBSA-N -1 3 238.291 0.788 20 0 BCADHM O=C([O-])NCCN1CC[C@]2(CCOC2)C1 ZINC000832642433 587672673 /nfs/dbraw/zinc/67/26/73/587672673.db2.gz ZAZPHTKJGFGYIR-JTQLQIEISA-N -1 3 214.265 0.366 20 0 BCADHM O=C([O-])NCCNCc1n[nH]c2ccccc12 ZINC000832658605 587674956 /nfs/dbraw/zinc/67/49/56/587674956.db2.gz SVJAKVMLXFZNGZ-UHFFFAOYSA-N -1 3 234.259 0.920 20 0 BCADHM O=C([O-])NCCNCc1[nH]nc2ccccc21 ZINC000832658605 587674958 /nfs/dbraw/zinc/67/49/58/587674958.db2.gz SVJAKVMLXFZNGZ-UHFFFAOYSA-N -1 3 234.259 0.920 20 0 BCADHM O=C([O-])[C@@]1(F)CCN(CCC2OCCCO2)C1 ZINC000833174128 587700759 /nfs/dbraw/zinc/70/07/59/587700759.db2.gz BGBGVWRLKHUJJU-LLVKDONJSA-N -1 3 247.266 0.638 20 0 BCADHM O=C([O-])CC1(NCc2cc[nH]n2)CCOCC1 ZINC000833206519 587702295 /nfs/dbraw/zinc/70/22/95/587702295.db2.gz SUQJPAABTSBVGB-UHFFFAOYSA-N -1 3 239.275 0.523 20 0 BCADHM C[C@@H](O)[C@H]1CCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833530523 587719220 /nfs/dbraw/zinc/71/92/20/587719220.db2.gz VJBAXOIOYSEYON-SCZZXKLOSA-N -1 3 238.287 0.916 20 0 BCADHM C[C@]1(NCc2ccc(C(=O)[O-])[nH]2)CCOC1 ZINC000833567837 587720545 /nfs/dbraw/zinc/72/05/45/587720545.db2.gz CWGNMPSVNQQXBC-NSHDSACASA-N -1 3 224.260 0.982 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCCOCC2)O1 ZINC000833579091 587721129 /nfs/dbraw/zinc/72/11/29/587721129.db2.gz LKTYDWWZHQVZLD-JTQLQIEISA-N -1 3 241.287 0.856 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN(C)[C@H](C)CO)O1 ZINC000833577319 587721251 /nfs/dbraw/zinc/72/12/51/587721251.db2.gz OFGATWNCLQGMBP-APPZFPTMSA-N -1 3 229.276 0.447 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN(C)CC[C@H](C)O)O1 ZINC000833575728 587721381 /nfs/dbraw/zinc/72/13/81/587721381.db2.gz BYGUMGHCVKLBTR-WCBMZHEXSA-N -1 3 243.303 0.837 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@H]2CO)O1 ZINC000833582545 587721729 /nfs/dbraw/zinc/72/17/29/587721729.db2.gz DGXYGHVWADMVQQ-UWVGGRQHSA-N -1 3 241.287 0.591 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2C[C@@H](O)C[C@@H]2C)O1 ZINC000833585085 587722045 /nfs/dbraw/zinc/72/20/45/587722045.db2.gz UABWPPZULRHYEH-UJNFCWOMSA-N -1 3 241.287 0.589 20 0 BCADHM CC[C@@H](C(=O)N(CC)CC(=O)[O-])N(C)C ZINC000833636253 587725633 /nfs/dbraw/zinc/72/56/33/587725633.db2.gz MNVVNLCEPGYRGT-QMMMGPOBSA-N -1 3 216.281 0.260 20 0 BCADHM CCC[C@H](C(=O)NCC(C)(C)C(=O)[O-])N(C)C ZINC000833647908 587726404 /nfs/dbraw/zinc/72/64/04/587726404.db2.gz LIJRXSSHSUHEAG-SECBINFHSA-N -1 3 244.335 0.944 20 0 BCADHM CN(C(=O)CNC1(CC(=O)[O-])CCC1)C1CC1 ZINC000833685988 587728135 /nfs/dbraw/zinc/72/81/35/587728135.db2.gz OWPRASPJWRNXKK-UHFFFAOYSA-N -1 3 240.303 0.594 20 0 BCADHM NC(=O)c1ccc(CN[C@H](C(=O)[O-])C2CC2)o1 ZINC000833762106 587730929 /nfs/dbraw/zinc/73/09/29/587730929.db2.gz DOYDQSSAYNHESY-VIFPVBQESA-N -1 3 238.243 0.331 20 0 BCADHM O=C([O-])c1cc(CN2CCC[C@H](O)C2)c[nH]1 ZINC000833778875 587731508 /nfs/dbraw/zinc/73/15/08/587731508.db2.gz GMAOCRYKYQMNPB-VIFPVBQESA-N -1 3 224.260 0.670 20 0 BCADHM CCCNC(=O)CN[C@@H](C)C[C@@H](C)NC(=O)[O-] ZINC000833855145 587736526 /nfs/dbraw/zinc/73/65/26/587736526.db2.gz BVJJQAFNRWPWTN-DTWKUNHWSA-N -1 3 245.323 0.537 20 0 BCADHM CCCN(C)CC(=O)NCC1CN(C(=O)[O-])C1 ZINC000833854526 587736573 /nfs/dbraw/zinc/73/65/73/587736573.db2.gz XGTVPSLWKDKMBX-UHFFFAOYSA-N -1 3 243.307 0.054 20 0 BCADHM CCN(CCC(=O)N(C)C)C1CN(C(=O)[O-])C1 ZINC000833857221 587736632 /nfs/dbraw/zinc/73/66/32/587736632.db2.gz HCZXRZRMGZKGKP-UHFFFAOYSA-N -1 3 243.307 0.149 20 0 BCADHM CCN(CCCCCO)C1CN(C(=O)[O-])C1 ZINC000833858372 587736968 /nfs/dbraw/zinc/73/69/68/587736968.db2.gz ZKEKKSDWJMMHPU-UHFFFAOYSA-N -1 3 230.308 0.833 20 0 BCADHM CNC(=O)CCN1C[C@H](C)N(C(=O)[O-])C[C@H]1C ZINC000833874875 587737986 /nfs/dbraw/zinc/73/79/86/587737986.db2.gz BUWZSYXKKYQNHR-BDAKNGLRSA-N -1 3 243.307 0.195 20 0 BCADHM Cn1nccc1CNC[C@@H](NC(=O)[O-])C1CC1 ZINC000833963295 587740061 /nfs/dbraw/zinc/74/00/61/587740061.db2.gz LPODHRXNZSKMMG-SNVBAGLBSA-N -1 3 238.291 0.556 20 0 BCADHM Cn1cncc1CNC[C@@H](NC(=O)[O-])C1CC1 ZINC000833959173 587740196 /nfs/dbraw/zinc/74/01/96/587740196.db2.gz OXSOEYXDKVWDRF-SNVBAGLBSA-N -1 3 238.291 0.556 20 0 BCADHM Cn1cncc1CNCC1CN(C(=O)[O-])C1 ZINC000833959193 587740338 /nfs/dbraw/zinc/74/03/38/587740338.db2.gz PPSINJHOFDRPRX-UHFFFAOYSA-N -1 3 224.264 0.120 20 0 BCADHM Cn1nccc1CNCC1CN(C(=O)[O-])C1 ZINC000833963325 587740462 /nfs/dbraw/zinc/74/04/62/587740462.db2.gz MGVPAOVWJBSOOV-UHFFFAOYSA-N -1 3 224.264 0.120 20 0 BCADHM O=C([O-])N1CC(CNCc2ccc(CO)o2)C1 ZINC000834066173 587743442 /nfs/dbraw/zinc/74/34/42/587743442.db2.gz FBLSRWJDCRHDCE-UHFFFAOYSA-N -1 3 240.259 0.471 20 0 BCADHM O=C([O-])N1CC(CNCc2ncc[nH]2)C1 ZINC000834068536 587743730 /nfs/dbraw/zinc/74/37/30/587743730.db2.gz GMRQDVLCNNCQFB-UHFFFAOYSA-N -1 3 210.237 0.109 20 0 BCADHM O=C([O-])N1CC[C@H](CNCc2cc[nH]n2)C1 ZINC000834078796 587744455 /nfs/dbraw/zinc/74/44/55/587744455.db2.gz VIPQFQTXCGZCAJ-MRVPVSSYSA-N -1 3 224.264 0.499 20 0 BCADHM O=C([O-])N[C@H](CNCc1cn[nH]c1)C1CC1 ZINC000834150537 587747360 /nfs/dbraw/zinc/74/73/60/587747360.db2.gz OSFLEGHBNXLBNE-SECBINFHSA-N -1 3 224.264 0.546 20 0 BCADHM O=C([O-])N[C@@H]1CCN([C@H]2CCOC2)C1 ZINC000834180957 587748311 /nfs/dbraw/zinc/74/83/11/587748311.db2.gz BUIZALKIZOLIGK-SFYZADRCSA-N -1 3 200.238 0.117 20 0 BCADHM O=C([O-])NC[C@@H]1CCN(CCC(=O)C2CC2)C1 ZINC000834226650 587749337 /nfs/dbraw/zinc/74/93/37/587749337.db2.gz ZZRWAUYQKDBESG-VIFPVBQESA-N -1 3 240.303 0.945 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-]CC(F)(F)CN ZINC000834539756 587758977 /nfs/dbraw/zinc/75/89/77/587758977.db2.gz PKNNBOGPZZPNTR-UHFFFAOYSA-N -1 3 235.061 0.890 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]OCC(C)(C)O ZINC000834621995 587761277 /nfs/dbraw/zinc/76/12/77/587761277.db2.gz ONTCNHMSUNYNQC-QMMMGPOBSA-N -1 3 219.281 0.356 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)[N-]OCC(C)(C)O ZINC000834624567 587761691 /nfs/dbraw/zinc/76/16/91/587761691.db2.gz IQALSXXLIJQWDN-SNVBAGLBSA-N -1 3 244.335 0.680 20 0 BCADHM COCCCOCCC(=O)[N-]OCC(C)(C)O ZINC000834628255 587761878 /nfs/dbraw/zinc/76/18/78/587761878.db2.gz DHOLQNAFXILRHX-UHFFFAOYSA-N -1 3 249.307 0.248 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCCN2C=O)n1 ZINC000834687375 587764361 /nfs/dbraw/zinc/76/43/61/587764361.db2.gz QQRJYBUKXWPRKP-VIFPVBQESA-N -1 3 249.270 0.655 20 0 BCADHM CCCCS(=O)(=O)[N-]CC(=O)OCC1CC1 ZINC000102184300 587813230 /nfs/dbraw/zinc/81/32/30/587813230.db2.gz JBJYSFDUCJCANH-UHFFFAOYSA-N -1 3 249.332 0.659 20 0 BCADHM CCOCCCC(=O)[N-]OC(C)(C)CO ZINC000836803763 587837621 /nfs/dbraw/zinc/83/76/21/587837621.db2.gz MORLUUAKWYUIOB-UHFFFAOYSA-N -1 3 219.281 0.622 20 0 BCADHM CC(C)[C@@H](C(=O)[N-]OC(C)(C)CO)N(C)C ZINC000836802609 587837694 /nfs/dbraw/zinc/83/76/94/587837694.db2.gz CAJIINDAYDSIBT-VIFPVBQESA-N -1 3 232.324 0.391 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000836803398 587837760 /nfs/dbraw/zinc/83/77/60/587837760.db2.gz KVZXZZZIVKVQKJ-BRPSZJMVSA-N -1 3 213.277 0.851 20 0 BCADHM COC[C@@H](C)CC(=O)[N-]OC(C)(C)CO ZINC000836804728 587838133 /nfs/dbraw/zinc/83/81/33/587838133.db2.gz GESXITQVDKZTNV-QMMMGPOBSA-N -1 3 219.281 0.478 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C1CC(C)(O)C1 ZINC000836887839 587841273 /nfs/dbraw/zinc/84/12/73/587841273.db2.gz GTTLFMGVMAXYAU-YUCVTWSNSA-N -1 3 231.292 0.212 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CCC(C)(C)O ZINC000836892259 587841541 /nfs/dbraw/zinc/84/15/41/587841541.db2.gz QTBIQSACOQWISA-VIFPVBQESA-N -1 3 233.308 0.602 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C1(C)CC1 ZINC000836891338 587841554 /nfs/dbraw/zinc/84/15/54/587841554.db2.gz NCDCJHBASGTNFY-MRVPVSSYSA-N -1 3 201.266 0.851 20 0 BCADHM COC[C@@H](C)CC(=O)[N-]O[C@H](CO)C(C)C ZINC000836892853 587841899 /nfs/dbraw/zinc/84/18/99/587841899.db2.gz SPLCOCIJLZOHIZ-VHSXEESVSA-N -1 3 233.308 0.724 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C1=COCCC1 ZINC000836897419 587842050 /nfs/dbraw/zinc/84/20/50/587842050.db2.gz QKTGJPLLFNUKPR-SNVBAGLBSA-N -1 3 229.276 0.745 20 0 BCADHM CC(=O)CCCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836900568 587842373 /nfs/dbraw/zinc/84/23/73/587842373.db2.gz GQIOIMHRDAFECW-JTQLQIEISA-N -1 3 231.292 0.810 20 0 BCADHM CC1(C)CC[C@H](OC(=O)c2cnn[n-]2)C1=O ZINC000840573101 587912364 /nfs/dbraw/zinc/91/23/64/587912364.db2.gz XLPQQJAEJROERN-ZETCQYMHSA-N -1 3 223.232 0.719 20 0 BCADHM CC1(C)CC[C@H](OC(=O)c2c[n-]nn2)C1=O ZINC000840573101 587912365 /nfs/dbraw/zinc/91/23/65/587912365.db2.gz XLPQQJAEJROERN-ZETCQYMHSA-N -1 3 223.232 0.719 20 0 BCADHM CC(C)CS(=O)(=O)[N-][C@@H]1C(=O)OCC1(C)C ZINC000841533014 587957618 /nfs/dbraw/zinc/95/76/18/587957618.db2.gz AIGHPGFAOZFYKV-MRVPVSSYSA-N -1 3 249.332 0.513 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccc(N)cc2[O-])C[C@H](C)N1 ZINC000841854723 587978349 /nfs/dbraw/zinc/97/83/49/587978349.db2.gz GRKLIVQAYSAZAJ-DTORHVGOSA-N -1 3 249.314 0.797 20 0 BCADHM O=C([N-]n1cnc2ccccc2c1=O)C1(F)CC1 ZINC000843519487 588118913 /nfs/dbraw/zinc/11/89/13/588118913.db2.gz YGRINGLIVKGANN-UHFFFAOYSA-N -1 3 247.229 0.969 20 0 BCADHM O=C([N-]OCc1cccnc1)[C@H]1CCC(=O)C1 ZINC000843832600 588143934 /nfs/dbraw/zinc/14/39/34/588143934.db2.gz UNGSRZIVHMNDGZ-JTQLQIEISA-N -1 3 234.255 0.999 20 0 BCADHM CCCO[N-]C(=O)CCCCNC(N)=O ZINC000844080592 588161771 /nfs/dbraw/zinc/16/17/71/588161771.db2.gz LATMGOCFYXZRDK-UHFFFAOYSA-N -1 3 217.269 0.283 20 0 BCADHM CCCO[N-]C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000844084606 588163440 /nfs/dbraw/zinc/16/34/40/588163440.db2.gz BYFPJMUFOODOQC-UHFFFAOYSA-N -1 3 249.332 0.659 20 0 BCADHM CCCO[N-]C(=O)[C@H]1CCCCN1C ZINC000844086576 588164358 /nfs/dbraw/zinc/16/43/58/588164358.db2.gz MWIFQCDIAAQUPE-SECBINFHSA-N -1 3 200.282 0.929 20 0 BCADHM CCCO[N-]C(=O)CCc1cnccn1 ZINC000844087080 588164984 /nfs/dbraw/zinc/16/49/84/588164984.db2.gz HIGZOUWPCQIDMQ-UHFFFAOYSA-N -1 3 209.249 0.867 20 0 BCADHM CCCO[N-]C(=O)CCc1ccn(C)n1 ZINC000844087938 588165448 /nfs/dbraw/zinc/16/54/48/588165448.db2.gz HNVYGCNLSDNYDO-UHFFFAOYSA-N -1 3 211.265 0.811 20 0 BCADHM CCCO[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000844089677 588166196 /nfs/dbraw/zinc/16/61/96/588166196.db2.gz XOGSGFUBVWNTOP-UHFFFAOYSA-N -1 3 227.260 0.788 20 0 BCADHM CCNCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000844934599 588219455 /nfs/dbraw/zinc/21/94/55/588219455.db2.gz GWTZLEQUFYBVEZ-VIFPVBQESA-N -1 3 244.335 0.992 20 0 BCADHM CC/C=C\CCOC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845376213 588228408 /nfs/dbraw/zinc/22/84/08/588228408.db2.gz QMPLRQFGZQZNRD-TYRPZCRBSA-N -1 3 247.316 0.578 20 0 BCADHM CC(C)[C@H](C)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845496043 588230674 /nfs/dbraw/zinc/23/06/74/588230674.db2.gz QBIDOBIRCMTQHS-YUMQZZPRSA-N -1 3 235.305 0.266 20 0 BCADHM CC1(C)C[C@@H]1COC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845576463 588233760 /nfs/dbraw/zinc/23/37/60/588233760.db2.gz LHMGRMXVHGUDLD-HTQZYQBOSA-N -1 3 247.316 0.267 20 0 BCADHM CC1CC(OC(=O)[C@@H]2CCS(=O)(=O)[N-]2)C1 ZINC000845575622 588233958 /nfs/dbraw/zinc/23/39/58/588233958.db2.gz XPWHGZZAKFYTSI-RRQHEKLDSA-N -1 3 233.289 0.020 20 0 BCADHM CC[C@H](OC(=O)[C@H]1CCS(=O)(=O)[N-]1)C(C)C ZINC000845849472 588247325 /nfs/dbraw/zinc/24/73/25/588247325.db2.gz BMUQSLKJPCBCKF-BDAKNGLRSA-N -1 3 249.332 0.656 20 0 BCADHM COCC(C)=CC(=O)Nc1nnc(OC)[n-]1 ZINC000845911138 588250206 /nfs/dbraw/zinc/25/02/06/588250206.db2.gz HHLMBZUYLYKPRL-XQRVVYSFSA-N -1 3 226.236 0.345 20 0 BCADHM COCC(C)=CC(=O)Nc1n[n-]c(OC)n1 ZINC000845911138 588250207 /nfs/dbraw/zinc/25/02/07/588250207.db2.gz HHLMBZUYLYKPRL-XQRVVYSFSA-N -1 3 226.236 0.345 20 0 BCADHM COC/C(C)=C\C(=O)Nc1nc(OC)n[n-]1 ZINC000845911138 588250208 /nfs/dbraw/zinc/25/02/08/588250208.db2.gz HHLMBZUYLYKPRL-XQRVVYSFSA-N -1 3 226.236 0.345 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000845913498 588250243 /nfs/dbraw/zinc/25/02/43/588250243.db2.gz QWMPHFNDCQKJOY-IUCAKERBSA-N -1 3 226.276 0.346 20 0 BCADHM CSCC1(CC(=O)[N-]OCCO)CC1 ZINC000845956462 588251851 /nfs/dbraw/zinc/25/18/51/588251851.db2.gz LJHGCWCOUBGPSH-UHFFFAOYSA-N -1 3 219.306 0.560 20 0 BCADHM COC/C(C)=C\C(=O)[N-]OC[C@@H]1CCOC1 ZINC000845997057 588252745 /nfs/dbraw/zinc/25/27/45/588252745.db2.gz XFHHYDNLWOKSGU-HYHWUIIZSA-N -1 3 229.276 0.663 20 0 BCADHM CCO[N-]C(=O)CNCc1n[nH]c2ccccc12 ZINC000846089840 588256103 /nfs/dbraw/zinc/25/61/03/588256103.db2.gz XLEPEGMPIJGSDD-UHFFFAOYSA-N -1 3 248.286 0.720 20 0 BCADHM CCO[N-]C(=O)CNCc1[nH]nc2ccccc21 ZINC000846089840 588256104 /nfs/dbraw/zinc/25/61/04/588256104.db2.gz XLEPEGMPIJGSDD-UHFFFAOYSA-N -1 3 248.286 0.720 20 0 BCADHM CCO[N-]C(=O)CNCc1cccc(F)c1 ZINC000846091149 588256143 /nfs/dbraw/zinc/25/61/43/588256143.db2.gz NLSHWQBWBUYMEL-UHFFFAOYSA-N -1 3 226.251 0.983 20 0 BCADHM CCO[N-]C(=O)CNCc1cccn1C ZINC000846090248 588256302 /nfs/dbraw/zinc/25/63/02/588256302.db2.gz DOXONCUGQUJXDQ-UHFFFAOYSA-N -1 3 211.265 0.182 20 0 BCADHM CCO[N-]C(=O)CN[C@H]1CC[C@@H]1SC ZINC000846090919 588256305 /nfs/dbraw/zinc/25/63/05/588256305.db2.gz NBTIXAHNZWLUBD-YUMQZZPRSA-N -1 3 218.322 0.538 20 0 BCADHM CCO[N-]C(=O)CN[C@H](C)Cc1ccoc1 ZINC000846090450 588256321 /nfs/dbraw/zinc/25/63/21/588256321.db2.gz ASPVEXXMMJZEOW-SECBINFHSA-N -1 3 226.276 0.868 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc2[nH]cnc2c1 ZINC000846089791 588256415 /nfs/dbraw/zinc/25/64/15/588256415.db2.gz WALBWVAWHPQUKL-UHFFFAOYSA-N -1 3 248.286 0.720 20 0 BCADHM CCO[N-]C(=O)CNCc1c(C)noc1C ZINC000846090601 588256477 /nfs/dbraw/zinc/25/64/77/588256477.db2.gz IZCNGVKGERFRJN-UHFFFAOYSA-N -1 3 227.264 0.449 20 0 BCADHM CN1CCC(O[N-]C(=O)COC(C)(C)C)CC1 ZINC000846647755 588280451 /nfs/dbraw/zinc/28/04/51/588280451.db2.gz PDTOCGBUZHJHKN-UHFFFAOYSA-N -1 3 244.335 0.944 20 0 BCADHM CN1CCC(O[N-]C(=O)C(C)(C)F)CC1 ZINC000846647297 588280638 /nfs/dbraw/zinc/28/06/38/588280638.db2.gz LPCHTDNSYZUOQI-UHFFFAOYSA-N -1 3 218.272 0.877 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@@H]2CC2(F)F)CC1 ZINC000846650940 588280741 /nfs/dbraw/zinc/28/07/41/588280741.db2.gz GWEAOFGATQFUMI-QMMMGPOBSA-N -1 3 234.246 0.784 20 0 BCADHM CCO[C@H](CC)C(=O)[N-]OC1CCN(C)CC1 ZINC000846651444 588280992 /nfs/dbraw/zinc/28/09/92/588280992.db2.gz NTXRZCQRJDQHGS-LLVKDONJSA-N -1 3 244.335 0.944 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@]2(C)CCOC2)CC1 ZINC000846649081 588281002 /nfs/dbraw/zinc/28/10/02/588281002.db2.gz AZWZFSDTCNSARJ-GFCCVEGCSA-N -1 3 242.319 0.555 20 0 BCADHM CC(C)N(C)S(=O)(=O)[N-]C(CF)CF ZINC000885421093 588298858 /nfs/dbraw/zinc/29/88/58/588298858.db2.gz UOPPEAHLWQMKOL-UHFFFAOYSA-N -1 3 230.280 0.469 20 0 BCADHM COCCO[N-]C(=O)CN1CC[C@@H](C)C1 ZINC000847548291 588316856 /nfs/dbraw/zinc/31/68/56/588316856.db2.gz KYEUPNQRJMNPJF-SECBINFHSA-N -1 3 216.281 0.022 20 0 BCADHM NC(=O)[C@H]1CC[C@H]1C(=O)[N-]OCc1cccnc1 ZINC000847599843 588318415 /nfs/dbraw/zinc/31/84/15/588318415.db2.gz TVNCCTIPWLKDEE-VHSXEESVSA-N -1 3 249.270 0.141 20 0 BCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)[N-]OC1CCCC1 ZINC000847661634 588324017 /nfs/dbraw/zinc/32/40/17/588324017.db2.gz FKWBMAUPZQNJRI-IUCAKERBSA-N -1 3 226.276 0.488 20 0 BCADHM NC(=O)[C@H]1CC[C@H]1C(=O)[N-]OC1CCCC1 ZINC000847661633 588324756 /nfs/dbraw/zinc/32/47/56/588324756.db2.gz FKWBMAUPZQNJRI-DTWKUNHWSA-N -1 3 226.276 0.488 20 0 BCADHM C/C(=C/c1ccco1)C(=O)[N-]OCCO ZINC000847756697 588329039 /nfs/dbraw/zinc/32/90/39/588329039.db2.gz LSIPWGCJTQRERC-FPLPWBNLSA-N -1 3 211.217 0.723 20 0 BCADHM NC(=O)[C@H]1CC[C@H]1C(=O)[N-]OC1CCCCC1 ZINC000847773215 588329386 /nfs/dbraw/zinc/32/93/86/588329386.db2.gz YLPPMROTBOIXRP-VHSXEESVSA-N -1 3 240.303 0.878 20 0 BCADHM CSCCO[N-]C(=O)CN1CC[C@H](C)C1 ZINC000848021238 588348583 /nfs/dbraw/zinc/34/85/83/588348583.db2.gz SOIOYLQJUDRGFB-VIFPVBQESA-N -1 3 232.349 0.739 20 0 BCADHM O=C([N-]Cc1cccc(CO)n1)C(F)F ZINC000848040549 588349711 /nfs/dbraw/zinc/34/97/11/588349711.db2.gz KGDNZVYTWKGUBB-UHFFFAOYSA-N -1 3 216.187 0.455 20 0 BCADHM O=C(O[C@H]1CNOC1)c1cc2occc2[n-]1 ZINC000848059865 588351694 /nfs/dbraw/zinc/35/16/94/588351694.db2.gz KKOKMRDMPXYRFC-LURJTMIESA-N -1 3 222.200 0.821 20 0 BCADHM C[C@@H]1C[C@@H]([N-]C(=O)C(C)(F)F)C(=O)O1 ZINC000848076660 588354788 /nfs/dbraw/zinc/35/47/88/588354788.db2.gz XUNSCJRVMAPNFI-RFZPGFLSSA-N -1 3 207.176 0.462 20 0 BCADHM C=C=CCNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000848116323 588358235 /nfs/dbraw/zinc/35/82/35/588358235.db2.gz IJNWXFRAWPFBGY-UHFFFAOYSA-N -1 3 233.271 0.799 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000848120421 588359008 /nfs/dbraw/zinc/35/90/08/588359008.db2.gz GVFRHRLYWBYPDT-CIUDSAMLSA-N -1 3 228.292 0.592 20 0 BCADHM CC1(C)C[C@](C)([N-]C(=O)C(F)F)C(=O)O1 ZINC000848153008 588361954 /nfs/dbraw/zinc/36/19/54/588361954.db2.gz IRIWIGWDFFCQLB-VIFPVBQESA-N -1 3 221.203 0.852 20 0 BCADHM CCC(CC)(CO)C(=O)[N-]OCCN(C)C ZINC000848159848 588362508 /nfs/dbraw/zinc/36/25/08/588362508.db2.gz KPCMZISSXLWFBG-UHFFFAOYSA-N -1 3 232.324 0.395 20 0 BCADHM NC(=O)[C@H]1CC[C@H]1C(=O)[N-]OC1CCC1 ZINC000848162266 588362638 /nfs/dbraw/zinc/36/26/38/588362638.db2.gz JSIUPZZOTMZRDQ-JGVFFNPUSA-N -1 3 212.249 0.098 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CN1CC[C@H](C)C1 ZINC000848197465 588365388 /nfs/dbraw/zinc/36/53/88/588365388.db2.gz ZFYIITBJZZDGGL-WDEREUQCSA-N -1 3 244.335 0.393 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1C[C@H]2C[C@@]2(CO)C1 ZINC000848374098 588374183 /nfs/dbraw/zinc/37/41/83/588374183.db2.gz SMDABXMZGDRVFJ-MFKMUULPSA-N -1 3 248.282 0.171 20 0 BCADHM C[C@H]1CN(C(=O)Cc2cncc([O-])c2)CCN1C ZINC000848371701 588374526 /nfs/dbraw/zinc/37/45/26/588374526.db2.gz SDTYOJQUROHKBO-JTQLQIEISA-N -1 3 249.314 0.492 20 0 BCADHM CCCO[N-]C(=O)Cc1cncc(O)c1 ZINC000848387438 588376067 /nfs/dbraw/zinc/37/60/67/588376067.db2.gz HBAJTUYDQCMXKP-UHFFFAOYSA-N -1 3 210.233 0.788 20 0 BCADHM CCO[N-]C(=O)CNC(=N)Nc1ccccn1 ZINC000849048531 588451068 /nfs/dbraw/zinc/45/10/68/588451068.db2.gz IIMSAWSOWSEKEW-UHFFFAOYSA-N -1 3 237.263 0.086 20 0 BCADHM C[C@H](OC(=O)c1ccc([O-])cc1O)C(N)=O ZINC000849120696 588453144 /nfs/dbraw/zinc/45/31/44/588453144.db2.gz OQJWJGIHINLXBZ-YFKPBYRVSA-N -1 3 225.200 0.128 20 0 BCADHM C[C@H](C(=O)[O-])N(C(=O)[C@@]1(F)CCNC1)C1CC1 ZINC000849365753 588475971 /nfs/dbraw/zinc/47/59/71/588475971.db2.gz BLUJCTOANSMWEE-RDDDGLTNSA-N -1 3 244.266 0.152 20 0 BCADHM CC(C)[C@H](C)OC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000849659391 588484756 /nfs/dbraw/zinc/48/47/56/588484756.db2.gz HFJKPTZFLQLLES-JGVFFNPUSA-N -1 3 242.275 0.562 20 0 BCADHM CC(C)[C@@H](C)OC(=O)CN1CC(=O)[N-]C1=O ZINC000849727698 588490171 /nfs/dbraw/zinc/49/01/71/588490171.db2.gz FLIOIMYEPLFXBJ-SSDOTTSWSA-N -1 3 228.248 0.126 20 0 BCADHM Cc1n[n-]nc1C(=O)O[C@H]1COC(C)(C)C1 ZINC000849768422 588495804 /nfs/dbraw/zinc/49/58/04/588495804.db2.gz NHQIEWROUJIPAF-SSDOTTSWSA-N -1 3 225.248 0.837 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCO[C@H]1CC1(F)F ZINC000849769534 588496292 /nfs/dbraw/zinc/49/62/92/588496292.db2.gz YVWXGNPBRIRCJW-LURJTMIESA-N -1 3 247.201 0.694 20 0 BCADHM O=C(OCCO[C@H]1CC1(F)F)c1cnn[n-]1 ZINC000849776167 588497082 /nfs/dbraw/zinc/49/70/82/588497082.db2.gz DJNILBOGUUUCNS-LURJTMIESA-N -1 3 233.174 0.386 20 0 BCADHM O=C(OCCO[C@H]1CC1(F)F)c1c[n-]nn1 ZINC000849776167 588497083 /nfs/dbraw/zinc/49/70/83/588497083.db2.gz DJNILBOGUUUCNS-LURJTMIESA-N -1 3 233.174 0.386 20 0 BCADHM COC(=O)c1cc(C(=O)OCC[C@@H](C)O)c[n-]1 ZINC000849782644 588497878 /nfs/dbraw/zinc/49/78/78/588497878.db2.gz CFHKCINDNUOPRS-SSDOTTSWSA-N -1 3 241.243 0.729 20 0 BCADHM COC(=O)c1cc(C(=O)OCC[C@H](C)O)c[n-]1 ZINC000849782645 588497974 /nfs/dbraw/zinc/49/79/74/588497974.db2.gz CFHKCINDNUOPRS-ZETCQYMHSA-N -1 3 241.243 0.729 20 0 BCADHM CCC(CC)CN1C(C)=C([O-])N(C)S1(=O)=O ZINC000849896323 588508552 /nfs/dbraw/zinc/50/85/52/588508552.db2.gz UFOFGROKQVWKHI-QMMMGPOBSA-N -1 3 248.348 0.830 20 0 BCADHM OC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000095145312 598856729 /nfs/dbraw/zinc/85/67/29/598856729.db2.gz ZRHYHTYCLJELGP-SECBINFHSA-N -1 3 245.286 0.685 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C2([C@H](C)O)CC2)o1 ZINC000851831037 588634035 /nfs/dbraw/zinc/63/40/35/588634035.db2.gz JZOGVZXDFFMUAW-QMMMGPOBSA-N -1 3 245.300 0.780 20 0 BCADHM CN(CCCCCCO)Cc1n[n-]c(=O)o1 ZINC000852189124 588671257 /nfs/dbraw/zinc/67/12/57/588671257.db2.gz WYWATQLWDWXMAP-UHFFFAOYSA-N -1 3 229.280 0.760 20 0 BCADHM Cc1cc(=O)[n-]c(CN2C[C@H]3COC[C@]3(C)C2)n1 ZINC000852534611 588688911 /nfs/dbraw/zinc/68/89/11/588688911.db2.gz NQEYEZUJIJHSKJ-GWCFXTLKSA-N -1 3 249.314 0.959 20 0 BCADHM NC[C@@H]1CC(C(=O)[N-]OCc2ccccc2)=NO1 ZINC000852853461 588708371 /nfs/dbraw/zinc/70/83/71/588708371.db2.gz GBOXEMVKVFMGLL-JTQLQIEISA-N -1 3 249.270 0.338 20 0 BCADHM C[C@H]1CCOCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000860601806 589108919 /nfs/dbraw/zinc/10/89/19/589108919.db2.gz QQTAVRCPOVRLOJ-QMMMGPOBSA-N -1 3 237.259 0.433 20 0 BCADHM C[C@@H](C(=O)[N-]OC1CCCC1)[C@H]1CCC(=O)N1 ZINC000860602845 589109168 /nfs/dbraw/zinc/10/91/68/589109168.db2.gz YLSMVIJOIMMWKY-PSASIEDQSA-N -1 3 240.303 0.892 20 0 BCADHM C[C@H](C(=O)[N-]OC/C=C/Cl)[C@H]1CCC(=O)N1 ZINC000861782677 589178197 /nfs/dbraw/zinc/17/81/97/589178197.db2.gz HGFJDTNECHZSHF-JKUGOPFISA-N -1 3 246.694 0.701 20 0 BCADHM C[C@H](C(=O)[N-]OCC1CC1)[C@@H]1CCC(=O)N1 ZINC000861823503 589179486 /nfs/dbraw/zinc/17/94/86/589179486.db2.gz JHSWWWWNFRNGAT-CBAPKCEASA-N -1 3 226.276 0.359 20 0 BCADHM O=C(NC[C@@H]1COCO1)c1cccc2nn[n-]c21 ZINC000861974959 589187355 /nfs/dbraw/zinc/18/73/55/589187355.db2.gz FUVUGFUFZYDUHK-SSDOTTSWSA-N -1 3 248.242 0.061 20 0 BCADHM O=C(NC[C@@H]1COCO1)c1cccc2[n-]nnc21 ZINC000861974959 589187357 /nfs/dbraw/zinc/18/73/57/589187357.db2.gz FUVUGFUFZYDUHK-SSDOTTSWSA-N -1 3 248.242 0.061 20 0 BCADHM O=C(NC[C@@H]1COCO1)c1cccc2n[n-]nc21 ZINC000861974959 589187359 /nfs/dbraw/zinc/18/73/59/589187359.db2.gz FUVUGFUFZYDUHK-SSDOTTSWSA-N -1 3 248.242 0.061 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC[C@H]1O ZINC000862038759 589190691 /nfs/dbraw/zinc/19/06/91/589190691.db2.gz CAGMJPIKFHILEK-RKDXNWHRSA-N -1 3 221.256 0.954 20 0 BCADHM C[C@@H]1CN=C(NC(=O)c2cc(=O)[n-]cn2)S1 ZINC000862043882 589190789 /nfs/dbraw/zinc/19/07/89/589190789.db2.gz HPEMZNYBNKEOFG-RXMQYKEDSA-N -1 3 238.272 0.403 20 0 BCADHM Cc1cncn1CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000862045945 589190822 /nfs/dbraw/zinc/19/08/22/589190822.db2.gz UWZNZPXUGSWBLD-MRVPVSSYSA-N -1 3 238.316 0.799 20 0 BCADHM O=C(N[C@@H]1COC2(CCC2)C1)c1cc(=O)[n-]cn1 ZINC000862187281 589193914 /nfs/dbraw/zinc/19/39/14/589193914.db2.gz IAHUYCIXUZTXIK-QMMMGPOBSA-N -1 3 249.270 0.624 20 0 BCADHM Cc1ccc([O-])c(CN2C[C@@H]3COC(=O)[C@@H]3C2)n1 ZINC000862545785 589219463 /nfs/dbraw/zinc/21/94/63/589219463.db2.gz BJTLKUIRZYRFHC-NXEZZACHSA-N -1 3 248.282 0.700 20 0 BCADHM CC(=O)c1ccccc1C(=O)[N-]N1CCOC1=O ZINC000862700780 589233776 /nfs/dbraw/zinc/23/37/76/589233776.db2.gz WWCJBHHFDPFTHH-UHFFFAOYSA-N -1 3 248.238 0.986 20 0 BCADHM CCc1nn(C)cc1C(=O)[N-]N1CCOC1=O ZINC000862701586 589234070 /nfs/dbraw/zinc/23/40/70/589234070.db2.gz CQSDIOVAUOKUTK-UHFFFAOYSA-N -1 3 238.247 0.080 20 0 BCADHM Cc1cnc(C(=O)[N-]N2CCOC2=O)c(C)c1 ZINC000862702274 589234391 /nfs/dbraw/zinc/23/43/91/589234391.db2.gz FSAOXAIHSBNQAF-UHFFFAOYSA-N -1 3 235.243 0.795 20 0 BCADHM O=C(Nn1cccn1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000862770323 589240389 /nfs/dbraw/zinc/24/03/89/589240389.db2.gz RIZXJUUJLBCBCL-UHFFFAOYSA-N -1 3 245.242 0.640 20 0 BCADHM NC(=O)[C@H]1C[C@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000862818478 589242756 /nfs/dbraw/zinc/24/27/56/589242756.db2.gz PNQANZJGLQXKJE-JPYJGEKTSA-N -1 3 242.172 0.267 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-][C@@H]1COCCC1=O ZINC000862934783 589247414 /nfs/dbraw/zinc/24/74/14/589247414.db2.gz ULPNPDMQWIJMDO-RXMQYKEDSA-N -1 3 240.086 0.654 20 0 BCADHM CN(C)CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119383361 589275486 /nfs/dbraw/zinc/27/54/86/589275486.db2.gz ROQLBONDUUMFAB-UHFFFAOYSA-N -1 3 248.290 0.310 20 0 BCADHM CN(C)CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119383361 589275487 /nfs/dbraw/zinc/27/54/87/589275487.db2.gz ROQLBONDUUMFAB-UHFFFAOYSA-N -1 3 248.290 0.310 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NCC1COC1 ZINC000863353941 589282282 /nfs/dbraw/zinc/28/22/82/589282282.db2.gz QASHXVKYFBJJSJ-OWOJBTEDSA-N -1 3 234.255 0.563 20 0 BCADHM C[C@H](CC(=O)[O-])Nc1ccnc(CO)c1 ZINC000863733486 589314106 /nfs/dbraw/zinc/31/41/06/589314106.db2.gz PMEGJHIRUJQAND-SSDOTTSWSA-N -1 3 210.233 0.849 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCc1cn[nH]c1 ZINC000863924214 589326921 /nfs/dbraw/zinc/32/69/21/589326921.db2.gz VOFSSSDRQWTXDK-UHFFFAOYSA-N -1 3 227.264 0.161 20 0 BCADHM Cc1nc(C(=O)[N-]N2CCOC2=O)c(C)[nH]1 ZINC000863937900 589327956 /nfs/dbraw/zinc/32/79/56/589327956.db2.gz LEACCQRWNGIRFP-UHFFFAOYSA-N -1 3 224.220 0.124 20 0 BCADHM CCO[N-]C(=O)Cc1cnn2c1CCCC2 ZINC000864690425 589390206 /nfs/dbraw/zinc/39/02/06/589390206.db2.gz STSCBOLTBMFVKF-UHFFFAOYSA-N -1 3 223.276 0.830 20 0 BCADHM COCC=CC(=O)Nc1nnc(SC)[n-]1 ZINC000865061775 589407118 /nfs/dbraw/zinc/40/71/18/589407118.db2.gz JMBYSUIATXOPAX-ONEGZZNKSA-N -1 3 228.277 0.668 20 0 BCADHM COC/C=C/C(=O)Nc1nc(SC)n[n-]1 ZINC000865061775 589407120 /nfs/dbraw/zinc/40/71/20/589407120.db2.gz JMBYSUIATXOPAX-ONEGZZNKSA-N -1 3 228.277 0.668 20 0 BCADHM COCC=CC(=O)Nc1n[n-]c(SC)n1 ZINC000865061775 589407122 /nfs/dbraw/zinc/40/71/22/589407122.db2.gz JMBYSUIATXOPAX-ONEGZZNKSA-N -1 3 228.277 0.668 20 0 BCADHM O=c1[nH][n-]cc1CCCNc1nccnc1F ZINC000865942147 589469431 /nfs/dbraw/zinc/46/94/31/589469431.db2.gz OQJPEHKCPJRZGD-ZETCQYMHSA-N -1 3 237.238 0.540 20 0 BCADHM CCCC[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866378422 589488667 /nfs/dbraw/zinc/48/86/67/589488667.db2.gz QHCPCPWPIAUEHC-UHFFFAOYSA-N -1 3 228.339 0.349 20 0 BCADHM C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000866379164 589488865 /nfs/dbraw/zinc/48/88/65/589488865.db2.gz IHQBJLZKACZWSJ-CQSZACIVSA-N -1 3 248.329 0.608 20 0 BCADHM COC[C@H](C)[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866385938 589489318 /nfs/dbraw/zinc/48/93/18/589489318.db2.gz TVUVLEKJKTYRTR-QMMMGPOBSA-N -1 3 245.304 0.098 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC2CCC2)nn1 ZINC000866482627 589496001 /nfs/dbraw/zinc/49/60/01/589496001.db2.gz PJBFEEZEKKCEMN-UHFFFAOYSA-N -1 3 241.316 0.863 20 0 BCADHM C/C=C\C[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000867564986 589526008 /nfs/dbraw/zinc/52/60/08/589526008.db2.gz JZYSICCMWQBDCS-ARJAWSKDSA-N -1 3 227.289 0.639 20 0 BCADHM C/C=C\C[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000867566001 589526158 /nfs/dbraw/zinc/52/61/58/589526158.db2.gz ZSCAUSKLIWLGOO-AGLBCWCQSA-N -1 3 240.350 0.515 20 0 BCADHM COCCCO[N-]C(=O)CC1CSC1 ZINC000868329934 589555142 /nfs/dbraw/zinc/55/51/42/589555142.db2.gz IFTZDASDKLJSSO-UHFFFAOYSA-N -1 3 219.306 0.824 20 0 BCADHM CN1C(=O)N=CC1C(=O)[N-]OCCC1CC1 ZINC000868553118 589564029 /nfs/dbraw/zinc/56/40/29/589564029.db2.gz ASLDBVJXHBIWHE-UHFFFAOYSA-N -1 3 225.248 0.587 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CC1CSC1 ZINC000868727427 589574798 /nfs/dbraw/zinc/57/47/98/589574798.db2.gz QATNYGIFQCVMRF-VIFPVBQESA-N -1 3 233.333 0.804 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CCCCO ZINC000868726714 589574865 /nfs/dbraw/zinc/57/48/65/589574865.db2.gz LLRUZVVKTNIMNM-VIFPVBQESA-N -1 3 219.281 0.214 20 0 BCADHM CC(=CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1)C1CC1 ZINC000869022440 589585129 /nfs/dbraw/zinc/58/51/29/589585129.db2.gz BYLPXJMQQVIMPF-DAXSKMNVSA-N -1 3 249.270 0.860 20 0 BCADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)OCCCC1CC1 ZINC000869466345 589607535 /nfs/dbraw/zinc/60/75/35/589607535.db2.gz WKQADUOUHLHHAT-QMMMGPOBSA-N -1 3 240.259 0.318 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCC[S@@](C)=O)c1 ZINC000122809155 589634204 /nfs/dbraw/zinc/63/42/04/589634204.db2.gz MMQQVTADBISHEY-INIZCTEOSA-N -1 3 241.312 0.809 20 0 BCADHM C[C@@H](O)COC(=O)c1cn[n-]c1[C@@H]1CCCO1 ZINC000869898403 589637023 /nfs/dbraw/zinc/63/70/23/589637023.db2.gz GXBVBZNDTNUHRL-APPZFPTMSA-N -1 3 240.259 0.799 20 0 BCADHM C[C@@H](O)COC(=O)c1c[n-]nc1[C@@H]1CCCO1 ZINC000869898403 589637025 /nfs/dbraw/zinc/63/70/25/589637025.db2.gz GXBVBZNDTNUHRL-APPZFPTMSA-N -1 3 240.259 0.799 20 0 BCADHM O=C(NC1COC1)c1cc2c(cc1[O-])OCO2 ZINC000870869320 589692941 /nfs/dbraw/zinc/69/29/41/589692941.db2.gz MFBPMBMKEXZJGK-UHFFFAOYSA-N -1 3 237.211 0.250 20 0 BCADHM CCOC(=O)c1cc(C[N-]C(=O)C(F)F)on1 ZINC000871353744 589756872 /nfs/dbraw/zinc/75/68/72/589756872.db2.gz VXKDPQVQHUXPCR-UHFFFAOYSA-N -1 3 248.185 0.733 20 0 BCADHM CCC(C)(C)NC(=O)Cn1c([O-])c(C)oc1=O ZINC000871781450 589816630 /nfs/dbraw/zinc/81/66/30/589816630.db2.gz FJZWQKQTMBEDRT-ZETCQYMHSA-N -1 3 242.275 0.659 20 0 BCADHM Cc1[n-]n(C2CCOCC2)c(=O)c1F ZINC000871950988 589840347 /nfs/dbraw/zinc/84/03/47/589840347.db2.gz MNEAPMBYIFBERA-MRVPVSSYSA-N -1 3 200.213 0.722 20 0 BCADHM COCC(COC)n1[n-]c(C)c(F)c1=O ZINC000871962470 589846818 /nfs/dbraw/zinc/84/68/18/589846818.db2.gz CKBUPNCPNSDKIA-QMMMGPOBSA-N -1 3 218.228 0.204 20 0 BCADHM CCNC(=O)[C@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872395668 589932327 /nfs/dbraw/zinc/93/23/27/589932327.db2.gz XVRVTPSYDNDMPO-YFKPBYRVSA-N -1 3 244.682 0.772 20 0 BCADHM O=c1[n-]nc(Cl)cc1NC1(CO)CC1 ZINC000872491917 589944651 /nfs/dbraw/zinc/94/46/51/589944651.db2.gz WRGGJULFIIMHMQ-UHFFFAOYSA-N -1 3 215.640 0.772 20 0 BCADHM CCOC(=O)CN(C)c1cc(Cl)n[n-]c1=O ZINC000872492348 589944631 /nfs/dbraw/zinc/94/46/31/589944631.db2.gz DWFSLYJMFPFHBY-UHFFFAOYSA-N -1 3 245.666 0.835 20 0 BCADHM COC[C@H](CNc1cc(Cl)n[n-]c1=O)OC ZINC000872505771 589945320 /nfs/dbraw/zinc/94/53/20/589945320.db2.gz AWDGMKROSDQJHS-LURJTMIESA-N -1 3 247.682 0.909 20 0 BCADHM CN(CCCO)c1cc(Cl)n[n-]c1=O ZINC000872535220 589947536 /nfs/dbraw/zinc/94/75/36/589947536.db2.gz UWCLMGVKRQWXAO-UHFFFAOYSA-N -1 3 217.656 0.654 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CC[C@](F)(CO)C1 ZINC000872537475 589948530 /nfs/dbraw/zinc/94/85/30/589948530.db2.gz AUSFCIAOLOXPLC-SECBINFHSA-N -1 3 247.657 0.746 20 0 BCADHM CNC(=O)C[C@@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872564290 589951905 /nfs/dbraw/zinc/95/19/05/589951905.db2.gz SAOAFNNNAGSFGN-RXMQYKEDSA-N -1 3 244.682 0.772 20 0 BCADHM CON(C)C(=O)CNc1cc(Cl)n[n-]c1=O ZINC000872572149 589953009 /nfs/dbraw/zinc/95/30/09/589953009.db2.gz DVPLLDNCILLJPY-UHFFFAOYSA-N -1 3 246.654 0.267 20 0 BCADHM NCC12CC(C1)CN2c1cc(Cl)[n-]c(=O)n1 ZINC000872778557 589969370 /nfs/dbraw/zinc/96/93/70/589969370.db2.gz JFPWGXKTIXEELD-UHFFFAOYSA-N -1 3 240.694 0.763 20 0 BCADHM O=C([O-])C1CC(Nc2ccnc(CO)c2)C1 ZINC000873075820 589983542 /nfs/dbraw/zinc/98/35/42/589983542.db2.gz HEWULNRVMGRGKV-UHFFFAOYSA-N -1 3 222.244 0.849 20 0 BCADHM CC[C@H](OC(=O)c1n[n-]nc1C)C(C)=O ZINC000873386775 590035603 /nfs/dbraw/zinc/03/56/03/590035603.db2.gz MXLZRDKWENUQCL-ZETCQYMHSA-N -1 3 211.221 0.638 20 0 BCADHM CO[N-]C(=O)Cc1ccccc1C(=O)NOC ZINC000873946440 590080297 /nfs/dbraw/zinc/08/02/97/590080297.db2.gz RMBTXBGURJFDFW-UHFFFAOYSA-N -1 3 238.243 0.198 20 0 BCADHM CO[N-]C(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1 ZINC000873946568 590080302 /nfs/dbraw/zinc/08/03/02/590080302.db2.gz VOGISUXCPRMLMU-JGVFFNPUSA-N -1 3 231.248 0.022 20 0 BCADHM CCn1ncc(C(=O)[N-]OC)c1Br ZINC000873946706 590080741 /nfs/dbraw/zinc/08/07/41/590080741.db2.gz ZDXDQGWJCZOICM-UHFFFAOYSA-N -1 3 248.080 0.957 20 0 BCADHM CSCCON=C([O-])Nc1ncccn1 ZINC000888697418 590187336 /nfs/dbraw/zinc/18/73/36/590187336.db2.gz YOLZRYZESIMDAT-UHFFFAOYSA-N -1 3 228.277 0.893 20 0 BCADHM CSCCO[N-]C(=O)Nc1ncccn1 ZINC000888697418 590187338 /nfs/dbraw/zinc/18/73/38/590187338.db2.gz YOLZRYZESIMDAT-UHFFFAOYSA-N -1 3 228.277 0.893 20 0 BCADHM COc1cc(C)nc(CNCCC(=O)[O-])c1 ZINC000125983028 590202369 /nfs/dbraw/zinc/20/23/69/590202369.db2.gz KMXIGJONLLTMHT-UHFFFAOYSA-N -1 3 224.260 0.963 20 0 BCADHM CC[C@H](C(=O)[N-]C1=NCCS1)N(C)C ZINC000126373081 590294598 /nfs/dbraw/zinc/29/45/98/590294598.db2.gz XVDMYVUEJDSKFF-SSDOTTSWSA-N -1 3 215.322 0.546 20 0 BCADHM CC[C@H](C(=O)[N-]O[C@@H]1CCCCO1)N(C)C ZINC000126507085 590323290 /nfs/dbraw/zinc/32/32/90/590323290.db2.gz BCUTWQJGDZXLRK-NXEZZACHSA-N -1 3 230.308 0.901 20 0 BCADHM O=C(C[C@H]1CCNC1=O)Nc1ccccc1[O-] ZINC000878008069 590470739 /nfs/dbraw/zinc/47/07/39/590470739.db2.gz VUMZNJFFDRRYDD-MRVPVSSYSA-N -1 3 234.255 0.857 20 0 BCADHM Cc1nc([N-]C(=O)c2nnn(C)n2)sc1C ZINC000878020199 590473124 /nfs/dbraw/zinc/47/31/24/590473124.db2.gz ILTDGOQTFVUPLJ-UHFFFAOYSA-N -1 3 238.276 0.536 20 0 BCADHM C=C/C=C/CCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000878319715 590545508 /nfs/dbraw/zinc/54/55/08/590545508.db2.gz ZPYROSOOFVZKPD-FSIBCCDJSA-N -1 3 235.287 0.355 20 0 BCADHM O=C(COC1CC1)[N-]c1nncn1C1CC1 ZINC000879904394 590888186 /nfs/dbraw/zinc/88/81/86/590888186.db2.gz GDSWXUZRQISUPH-UHFFFAOYSA-N -1 3 222.248 0.731 20 0 BCADHM O=C(CCn1cncn1)[N-]O[C@@H]1CCCCO1 ZINC000128173913 590917304 /nfs/dbraw/zinc/91/73/04/590917304.db2.gz XQJOBOWMSLSKCJ-SNVBAGLBSA-N -1 3 240.263 0.243 20 0 BCADHM CN1CCC[C@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC000880136927 590939080 /nfs/dbraw/zinc/93/90/80/590939080.db2.gz VCNORUSEZFBNPL-BDAKNGLRSA-N -1 3 237.307 0.179 20 0 BCADHM COCC1(N(C)Cc2nc(=O)n(C)[n-]2)CCC1 ZINC000880185874 590954346 /nfs/dbraw/zinc/95/43/46/590954346.db2.gz GLXSTLTZNYIALY-UHFFFAOYSA-N -1 3 240.307 0.109 20 0 BCADHM CC(F)(F)C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880514292 591082210 /nfs/dbraw/zinc/08/22/10/591082210.db2.gz VKXRNWRXGWTJKH-UHFFFAOYSA-N -1 3 249.242 0.742 20 0 BCADHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)C1CCC1 ZINC000880516149 591083752 /nfs/dbraw/zinc/08/37/52/591083752.db2.gz BLEMVGLJZPEBNJ-UHFFFAOYSA-N -1 3 239.300 0.887 20 0 BCADHM CON(C)CCNC(=O)c1cc(F)c[n-]c1=O ZINC000880647920 591117712 /nfs/dbraw/zinc/11/77/12/591117712.db2.gz JPODFYQBKQXMHK-UHFFFAOYSA-N -1 3 243.238 0.149 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@H](CF)C1 ZINC000881676613 591265412 /nfs/dbraw/zinc/26/54/12/591265412.db2.gz GERVDYISCMATNM-SSDOTTSWSA-N -1 3 225.223 0.614 20 0 BCADHM COC(=O)[C@H]([N-]S(=O)(=O)C1CCC1)C1CC1 ZINC000881958149 591284386 /nfs/dbraw/zinc/28/43/86/591284386.db2.gz CMFBGKBWSDHOOO-SECBINFHSA-N -1 3 247.316 0.410 20 0 BCADHM CC(C)CON=c1[n-]ccnc1C(N)=O ZINC000882144946 591305686 /nfs/dbraw/zinc/30/56/86/591305686.db2.gz LUEAXWJYPFBWGB-UHFFFAOYSA-N -1 3 210.237 0.575 20 0 BCADHM CCCCOC(=O)CSCCc1nnn[n-]1 ZINC000882182836 591311995 /nfs/dbraw/zinc/31/19/95/591311995.db2.gz ODLDAVLOVSRLBJ-UHFFFAOYSA-N -1 3 244.320 0.819 20 0 BCADHM CCCCOC(=O)CSCCc1nn[n-]n1 ZINC000882182836 591311996 /nfs/dbraw/zinc/31/19/96/591311996.db2.gz ODLDAVLOVSRLBJ-UHFFFAOYSA-N -1 3 244.320 0.819 20 0 BCADHM CC(C)[C@@H](O)CCSCCc1nnn[n-]1 ZINC000882190667 591313090 /nfs/dbraw/zinc/31/30/90/591313090.db2.gz LOPFZRXKEJYUQY-QMMMGPOBSA-N -1 3 230.337 0.882 20 0 BCADHM CC(C)[C@@H](O)CCSCCc1nn[n-]n1 ZINC000882190667 591313092 /nfs/dbraw/zinc/31/30/92/591313092.db2.gz LOPFZRXKEJYUQY-QMMMGPOBSA-N -1 3 230.337 0.882 20 0 BCADHM COC(=O)c1cccc(Cn2c([O-])coc2=O)c1 ZINC000882272388 591323484 /nfs/dbraw/zinc/32/34/84/591323484.db2.gz SBGYYHGOTRMKLP-UHFFFAOYSA-N -1 3 249.222 0.952 20 0 BCADHM CCOc1cccc(Cn2c([O-])coc2=O)n1 ZINC000882275340 591324023 /nfs/dbraw/zinc/32/40/23/591324023.db2.gz GYCQMUCYVSYIAI-UHFFFAOYSA-N -1 3 236.227 0.959 20 0 BCADHM C[C@@H]1CCCCN1C(=O)Cn1c([O-])coc1=O ZINC000882272526 591324090 /nfs/dbraw/zinc/32/40/90/591324090.db2.gz RJPNNMYRRUGTBE-MRVPVSSYSA-N -1 3 240.259 0.366 20 0 BCADHM O=C(Cn1c([O-])coc1=O)NC1CCCCC1 ZINC000882272738 591324124 /nfs/dbraw/zinc/32/41/24/591324124.db2.gz VHQULQLHXXAYFY-UHFFFAOYSA-N -1 3 240.259 0.414 20 0 BCADHM CCc1nocc1Cn1c([O-])coc1=O ZINC000882276802 591325435 /nfs/dbraw/zinc/32/54/35/591325435.db2.gz VRZUFQJCCKITMJ-UHFFFAOYSA-N -1 3 210.189 0.716 20 0 BCADHM Cn1cc(Cl)c(Cn2c([O-])coc2=O)n1 ZINC000882277133 591325679 /nfs/dbraw/zinc/32/56/79/591325679.db2.gz XEWWSOPIHYUYEU-UHFFFAOYSA-N -1 3 229.623 0.552 20 0 BCADHM O=C(Cn1c([O-])coc1=O)[C@H]1Cc2ccccc21 ZINC000882276919 591325711 /nfs/dbraw/zinc/32/57/11/591325711.db2.gz ZNNMQDMKPPIGTL-JTQLQIEISA-N -1 3 245.234 0.874 20 0 BCADHM O=Cc1cnc(NCCCc2c[n-][nH]c2=O)nc1 ZINC000882618772 591400066 /nfs/dbraw/zinc/40/00/66/591400066.db2.gz MDJDBDUJNWBUTE-VIFPVBQESA-N -1 3 247.258 0.213 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(c1cnc(F)cn1)C2 ZINC000882666946 591409201 /nfs/dbraw/zinc/40/92/01/591409201.db2.gz UVPJXRNLPTXVRL-UHFFFAOYSA-N -1 3 247.233 0.940 20 0 BCADHM CC(C)(C)c1nnc([N-][C@@H]2COC[C@@H]2O)o1 ZINC000882678096 591409903 /nfs/dbraw/zinc/40/99/03/591409903.db2.gz MWUJGGUTIAOVSK-RQJHMYQMSA-N -1 3 227.264 0.539 20 0 BCADHM O=S(=O)([N-]c1ccc[n+]([O-])c1)N1CCCC1 ZINC000882759823 591431370 /nfs/dbraw/zinc/43/13/70/591431370.db2.gz MTLZPCCTTDSWHF-UHFFFAOYSA-N -1 3 243.288 0.073 20 0 BCADHM Cn1cc(Cl)c([N-]S(C)(=O)=O)n1 ZINC000882797731 591440956 /nfs/dbraw/zinc/44/09/56/591440956.db2.gz SLTCXYVZBMLLCD-UHFFFAOYSA-N -1 3 209.658 0.445 20 0 BCADHM C[C@H](CO)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC000095154926 598971440 /nfs/dbraw/zinc/97/14/40/598971440.db2.gz NRFHDMGZAQJANJ-SFYZADRCSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@H](CO)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC000095154926 598971442 /nfs/dbraw/zinc/97/14/42/598971442.db2.gz NRFHDMGZAQJANJ-SFYZADRCSA-N -1 3 248.290 0.691 20 0 BCADHM CC(C)[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC000735733201 598971854 /nfs/dbraw/zinc/97/18/54/598971854.db2.gz DYLGQFJVXLTQPG-VIFPVBQESA-N -1 3 248.290 0.691 20 0 BCADHM CC(C)[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC000735733201 598971856 /nfs/dbraw/zinc/97/18/56/598971856.db2.gz DYLGQFJVXLTQPG-VIFPVBQESA-N -1 3 248.290 0.691 20 0 BCADHM Cn1nccc1C=Cc1nccc(=O)[n-]1 ZINC000131806822 591664359 /nfs/dbraw/zinc/66/43/59/591664359.db2.gz JWLGUORSMHHUAK-NSCUHMNNSA-N -1 3 202.217 0.674 20 0 BCADHM CC(=O)N1CCCN(C/C=C(\C)C(=O)[O-])CC1 ZINC000214620465 591676055 /nfs/dbraw/zinc/67/60/55/591676055.db2.gz NEAKWKUOKJGYST-ONNFQVAWSA-N -1 3 240.303 0.572 20 0 BCADHM CCCC[C@H](C(=O)[O-])N1CCN(CCO)CC1 ZINC000132552371 591718825 /nfs/dbraw/zinc/71/88/25/591718825.db2.gz XMCKUNDJXFOARH-LLVKDONJSA-N -1 3 244.335 0.240 20 0 BCADHM COc1nn(C)cc1C(=O)[N-]OCC(F)F ZINC000883967243 591783979 /nfs/dbraw/zinc/78/39/79/591783979.db2.gz KPDMEQNWUUYZHB-UHFFFAOYSA-N -1 3 235.190 0.355 20 0 BCADHM O=C([N-]OCC(F)(F)F)c1ccc(=O)[nH]c1 ZINC000133799081 591858849 /nfs/dbraw/zinc/85/88/49/591858849.db2.gz GOZKMWYSWPYIPX-UHFFFAOYSA-N -1 3 236.149 0.599 20 0 BCADHM COCCO[N-]C(=O)c1ccncc1F ZINC000135144403 591991738 /nfs/dbraw/zinc/99/17/38/591991738.db2.gz QBHGIXSHVSFYFJ-UHFFFAOYSA-N -1 3 214.196 0.529 20 0 BCADHM CN(c1cc(Cl)n[n-]c1=O)[C@@H]1COC[C@H]1O ZINC000884632763 591999056 /nfs/dbraw/zinc/99/90/56/591999056.db2.gz BXMJVRYUBNGDJJ-RNFRBKRXSA-N -1 3 245.666 0.032 20 0 BCADHM NC(=O)CON=C([O-])Nc1ccccc1F ZINC000135739558 592044298 /nfs/dbraw/zinc/04/42/98/592044298.db2.gz UPKOAWIPTMZSBT-UHFFFAOYSA-N -1 3 227.195 0.364 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccccc1F ZINC000135739558 592044301 /nfs/dbraw/zinc/04/43/01/592044301.db2.gz UPKOAWIPTMZSBT-UHFFFAOYSA-N -1 3 227.195 0.364 20 0 BCADHM C[C@@H](C[N-]S(=O)(=O)c1ccns1)N(C)C ZINC000885219905 592058859 /nfs/dbraw/zinc/05/88/59/592058859.db2.gz HWXOWWZIJMLNHZ-ZETCQYMHSA-N -1 3 249.361 0.372 20 0 BCADHM C[C@@H](CF)[N-]S(=O)(=O)c1cccnc1 ZINC000885410145 592076383 /nfs/dbraw/zinc/07/63/83/592076383.db2.gz CNKJZGAIHDFFKE-ZETCQYMHSA-N -1 3 218.253 0.718 20 0 BCADHM O=S(=O)(CC1CC1)[N-]C(CF)CF ZINC000885418467 592077279 /nfs/dbraw/zinc/07/72/79/592077279.db2.gz UEIQABGXVXZKCQ-UHFFFAOYSA-N -1 3 213.249 0.623 20 0 BCADHM CC(C)[C@H](NC(=O)c1c[n-]nn1)c1cnn(C)c1 ZINC000885433852 592078272 /nfs/dbraw/zinc/07/82/72/592078272.db2.gz KSVMPDXKZXPQNX-JTQLQIEISA-N -1 3 248.290 0.665 20 0 BCADHM CC(C)[C@H](NC(=O)c1cnn[n-]1)c1cnn(C)c1 ZINC000885433852 592078275 /nfs/dbraw/zinc/07/82/75/592078275.db2.gz KSVMPDXKZXPQNX-JTQLQIEISA-N -1 3 248.290 0.665 20 0 BCADHM CC(C)[C@H](NC(=O)c1cn[n-]n1)c1cnn(C)c1 ZINC000885433852 592078278 /nfs/dbraw/zinc/07/82/78/592078278.db2.gz KSVMPDXKZXPQNX-JTQLQIEISA-N -1 3 248.290 0.665 20 0 BCADHM Cc1cn[nH]c1CN(C)Cc1n[n-]c(=O)o1 ZINC000886252194 592187180 /nfs/dbraw/zinc/18/71/80/592187180.db2.gz WLTAXPURSWNXRL-UHFFFAOYSA-N -1 3 223.236 0.439 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)C[C@H]1C[C@]12CCOC2 ZINC000886251609 592187458 /nfs/dbraw/zinc/18/74/58/592187458.db2.gz GWMMYLDQFRBUOR-KCJUWKMLSA-N -1 3 239.275 0.634 20 0 BCADHM C[C@@H]1CO[C@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886271583 592192675 /nfs/dbraw/zinc/19/26/75/592192675.db2.gz NRCPUPBMTQYRHO-KWQFWETISA-N -1 3 236.271 0.828 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000886271455 592192836 /nfs/dbraw/zinc/19/28/36/592192836.db2.gz JPWSMTWWKGRDCA-YUSALJHKSA-N -1 3 246.266 0.629 20 0 BCADHM C[C@H]1CO[C@@H](C(=O)NCc2cncc([O-])c2)C1 ZINC000886271584 592192940 /nfs/dbraw/zinc/19/29/40/592192940.db2.gz NRCPUPBMTQYRHO-LDYMZIIASA-N -1 3 236.271 0.828 20 0 BCADHM CN1CCC[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886273185 592193706 /nfs/dbraw/zinc/19/37/06/592193706.db2.gz PPNRCTOMQUMCSD-LLVKDONJSA-N -1 3 235.287 0.498 20 0 BCADHM Cc1cc(CC(=O)NCc2cncc([O-])c2)on1 ZINC000886274865 592194696 /nfs/dbraw/zinc/19/46/96/592194696.db2.gz FSZZUIRURDWLRK-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM O=C(NCc1cncc([O-])c1)C1(O)CCC1 ZINC000886276703 592196242 /nfs/dbraw/zinc/19/62/42/592196242.db2.gz QDRXQEHPEFSEEU-UHFFFAOYSA-N -1 3 222.244 0.318 20 0 BCADHM CC(C)(C)[C@H](O)C(=O)NCc1cncc([O-])c1 ZINC000886277877 592196312 /nfs/dbraw/zinc/19/63/12/592196312.db2.gz FUXSGYQPXXLGEO-SNVBAGLBSA-N -1 3 238.287 0.810 20 0 BCADHM O=C(CCCCO)NCc1cncc([O-])c1 ZINC000886278202 592197056 /nfs/dbraw/zinc/19/70/56/592197056.db2.gz REOVESHRMZOOOC-UHFFFAOYSA-N -1 3 224.260 0.566 20 0 BCADHM C[C@H](C(=O)NCc1cncc([O-])c1)n1cccn1 ZINC000886279711 592198228 /nfs/dbraw/zinc/19/82/28/592198228.db2.gz IEAYKCAFTFJZCB-SECBINFHSA-N -1 3 246.270 0.861 20 0 BCADHM CCOC(=O)CC(=O)NCc1cncc([O-])c1 ZINC000886282059 592199044 /nfs/dbraw/zinc/19/90/44/592199044.db2.gz VKGQXRUPHUHIQF-UHFFFAOYSA-N -1 3 238.243 0.357 20 0 BCADHM O=C([N-][C@H]1C[C@H](CO)C1)C(F)(F)C(F)F ZINC000886892551 592389857 /nfs/dbraw/zinc/38/98/57/592389857.db2.gz HFTGQJUUEHZREN-URHBZAFASA-N -1 3 229.173 0.774 20 0 BCADHM C[C@@H](O)CNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000139416354 592398409 /nfs/dbraw/zinc/39/84/09/592398409.db2.gz AWFBYYUTQBAEQR-ZCFIWIBFSA-N -1 3 239.227 0.232 20 0 BCADHM CC(C)C[C@@H](NC(=O)[C@@H](N)CC1CC1)C(=O)[O-] ZINC000302704167 592552374 /nfs/dbraw/zinc/55/23/74/592552374.db2.gz WMIPXGSIQMDYBH-VHSXEESVSA-N -1 3 242.319 0.729 20 0 BCADHM CO[C@H]1CC[C@@H]1N(C)C(=O)c1cc(=O)[n-]cn1 ZINC000889321865 592595789 /nfs/dbraw/zinc/59/57/89/592595789.db2.gz PSPQINUEBWXJHL-IUCAKERBSA-N -1 3 237.259 0.432 20 0 BCADHM CN(C)CC(=O)[N-]OCCOc1ccccc1 ZINC000889448177 592610440 /nfs/dbraw/zinc/61/04/40/592610440.db2.gz TXHFGPXXLJSFIZ-UHFFFAOYSA-N -1 3 238.287 0.675 20 0 BCADHM Cn1nnc([N-]C(=O)c2coc(C(F)F)c2)n1 ZINC000889626304 592633564 /nfs/dbraw/zinc/63/35/64/592633564.db2.gz XQLLOCDFLGYQIZ-UHFFFAOYSA-N -1 3 243.173 0.993 20 0 BCADHM Cc1nc(C(=O)[N-]c2nnn(C)n2)sc1C ZINC000889628138 592634411 /nfs/dbraw/zinc/63/44/11/592634411.db2.gz FCAWQFXMSBYFCI-UHFFFAOYSA-N -1 3 238.276 0.536 20 0 BCADHM O=C(Nc1ccnn1C1CCC1)c1nnc[n-]1 ZINC000890355749 592693878 /nfs/dbraw/zinc/69/38/78/592693878.db2.gz AOSBSIKWIYWLFN-UHFFFAOYSA-N -1 3 232.247 0.979 20 0 BCADHM O=C(Nc1ccnn1C1CCC1)c1nc[n-]n1 ZINC000890355749 592693880 /nfs/dbraw/zinc/69/38/80/592693880.db2.gz AOSBSIKWIYWLFN-UHFFFAOYSA-N -1 3 232.247 0.979 20 0 BCADHM Cc1nn(C)c(C)c1CN(C)CC(=O)[O-] ZINC000082784336 596902464 /nfs/dbraw/zinc/90/24/64/596902464.db2.gz FRZJVVYSKDCZST-UHFFFAOYSA-N -1 3 211.265 0.553 20 0 BCADHM CCN(CC)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000054262581 596930361 /nfs/dbraw/zinc/93/03/61/596930361.db2.gz YZAUCZSMRYXEEN-UHFFFAOYSA-N -1 3 242.319 0.651 20 0 BCADHM C[C@H](C(=O)NC1CCCC1)N(C)CCC(=O)[O-] ZINC000037933130 596997743 /nfs/dbraw/zinc/99/77/43/596997743.db2.gz REABMWPXSBDGKN-SECBINFHSA-N -1 3 242.319 0.840 20 0 BCADHM CC(C)CNC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000037933126 596998791 /nfs/dbraw/zinc/99/87/91/596998791.db2.gz SMXAZHOAPAEQEO-VIFPVBQESA-N -1 3 230.308 0.554 20 0 BCADHM CC(C)CCNC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000037933164 596999517 /nfs/dbraw/zinc/99/95/17/596999517.db2.gz AAESBOOZIPILDI-JTQLQIEISA-N -1 3 244.335 0.944 20 0 BCADHM C[C@@H](CC(=O)[O-])N[C@H](C(N)=O)c1ccccc1 ZINC000738890638 597001831 /nfs/dbraw/zinc/00/18/31/597001831.db2.gz IVXKRAYMWVMNDB-KWQFWETISA-N -1 3 236.271 0.666 20 0 BCADHM CCN(CC)CC(=O)N(C)CCC(=O)[O-] ZINC000308844055 597010554 /nfs/dbraw/zinc/01/05/54/597010554.db2.gz LIIBSVHUSXMSNJ-UHFFFAOYSA-N -1 3 216.281 0.261 20 0 BCADHM O=C([O-])CCNC(=O)NCCN1CCCCC1 ZINC000049575736 597107350 /nfs/dbraw/zinc/10/73/50/597107350.db2.gz UAZPXFJDOYDONF-UHFFFAOYSA-N -1 3 243.307 0.246 20 0 BCADHM CN1CCC[C@@H](NC(=O)NCCCC(=O)[O-])C1 ZINC000040716311 597286512 /nfs/dbraw/zinc/28/65/12/597286512.db2.gz FCKCWBCIJPWBAN-SECBINFHSA-N -1 3 243.307 0.245 20 0 BCADHM CC(C)CNC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000062133514 597527840 /nfs/dbraw/zinc/52/78/40/597527840.db2.gz UPZLHZKGMCISJD-UWVGGRQHSA-N -1 3 242.319 0.554 20 0 BCADHM C[C@@H](C(=O)NC1CC1)N1CC[C@H](C(=O)[O-])C1 ZINC000062133545 597528773 /nfs/dbraw/zinc/52/87/73/597528773.db2.gz NUISUFYUCASEDO-YUMQZZPRSA-N -1 3 226.276 0.060 20 0 BCADHM CCCNC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000062133526 597529842 /nfs/dbraw/zinc/52/98/42/597529842.db2.gz ZKXXFGIMSNVYGE-IUCAKERBSA-N -1 3 228.292 0.308 20 0 BCADHM CN(CCCCC(=O)[O-])[C@@H]1CCN(C)C1=O ZINC000690317982 597781339 /nfs/dbraw/zinc/78/13/39/597781339.db2.gz TVUHTWNLOVGJES-SECBINFHSA-N -1 3 228.292 0.404 20 0 BCADHM C[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000043559504 598037402 /nfs/dbraw/zinc/03/74/02/598037402.db2.gz RBNQDSPZAMQTBJ-XKNYDFJKSA-N -1 3 242.319 0.837 20 0 BCADHM O=C([O-])C1CCN(Cc2cn[nH]c2)CC1 ZINC000306388910 598120955 /nfs/dbraw/zinc/12/09/55/598120955.db2.gz VLKLHQATEISGEE-UHFFFAOYSA-N -1 3 209.249 0.706 20 0 BCADHM Cn1nccc1CN1CC[C@H](C(=O)[O-])C1 ZINC000083413534 598130160 /nfs/dbraw/zinc/13/01/60/598130160.db2.gz VNDCBEQTQGPFRW-QMMMGPOBSA-N -1 3 209.249 0.327 20 0 BCADHM c1cnc(N[C@H]2CCCOC2)c(-c2nnn[n-]2)c1 ZINC000738446418 598366125 /nfs/dbraw/zinc/36/61/25/598366125.db2.gz YPXLHZGGUULKBW-QMMMGPOBSA-N -1 3 246.274 0.853 20 0 BCADHM c1cnc(N[C@H]2CCCOC2)c(-c2nn[n-]n2)c1 ZINC000738446418 598366127 /nfs/dbraw/zinc/36/61/27/598366127.db2.gz YPXLHZGGUULKBW-QMMMGPOBSA-N -1 3 246.274 0.853 20 0 BCADHM CC(C)C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000735689842 598380089 /nfs/dbraw/zinc/38/00/89/598380089.db2.gz CIRRFDMTYADDSZ-UHFFFAOYSA-N -1 3 232.247 0.278 20 0 BCADHM CC(C)C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000735689842 598380090 /nfs/dbraw/zinc/38/00/90/598380090.db2.gz CIRRFDMTYADDSZ-UHFFFAOYSA-N -1 3 232.247 0.278 20 0 BCADHM CNC(=O)CCN(C)Cc1ccoc1C(=O)[O-] ZINC000234356578 599772376 /nfs/dbraw/zinc/77/23/76/599772376.db2.gz WFMHTVCDUKLXNK-UHFFFAOYSA-N -1 3 240.259 0.546 20 0 BCADHM CCN(CC)CC(=O)NC[C@H](C)C(=O)[O-] ZINC000737085514 599782391 /nfs/dbraw/zinc/78/23/91/599782391.db2.gz NGLMWDTZDYPAKI-QMMMGPOBSA-N -1 3 216.281 0.165 20 0 BCADHM O=C([O-])c1occc1CN1CCC[C@@H]1CO ZINC000042433072 599813345 /nfs/dbraw/zinc/81/33/45/599813345.db2.gz RRGWQAHGASLGLL-SECBINFHSA-N -1 3 225.244 0.935 20 0 BCADHM O=C([O-])c1ccoc1CN1CCC[C@H]1CO ZINC000042433087 599813439 /nfs/dbraw/zinc/81/34/39/599813439.db2.gz IGMRLBVUWVFCQY-QMMMGPOBSA-N -1 3 225.244 0.935 20 0 BCADHM Cc1nc(N(C)CC2(CO)CC2)cc(=O)[n-]1 ZINC000893381860 634377618 /nfs/dbraw/zinc/37/76/18/634377618.db2.gz KUTUCMALZCYXEG-UHFFFAOYSA-N -1 3 223.276 0.699 20 0 BCADHM O=C(CN1CC[C@H](C(=O)[O-])C1)NCC1CCC1 ZINC000739272201 599924263 /nfs/dbraw/zinc/92/42/63/599924263.db2.gz FKNPQOWJCPEKQG-JTQLQIEISA-N -1 3 240.303 0.309 20 0 BCADHM CN(CC(=O)NCCC(=O)[O-])CC(C)(C)C ZINC000737393645 599995017 /nfs/dbraw/zinc/99/50/17/599995017.db2.gz DWBILPYDTHMIKP-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM CN1CC[C@@H](N2CCC(CC(=O)[O-])CC2)C1=O ZINC000093681227 600214328 /nfs/dbraw/zinc/21/43/28/600214328.db2.gz YBKSYQLQZUYDCH-SNVBAGLBSA-N -1 3 240.303 0.404 20 0 BCADHM CC[C@H]1COCCN1CCCC(=O)[O-] ZINC000036327089 600231538 /nfs/dbraw/zinc/23/15/38/600231538.db2.gz ZDHLJGBUNLQCDT-VIFPVBQESA-N -1 3 201.266 0.962 20 0 BCADHM CCCNC(=O)CN(CCC(=O)[O-])C(C)C ZINC000037474344 600220564 /nfs/dbraw/zinc/22/05/64/600220564.db2.gz HIMFLIDAIXGWNK-UHFFFAOYSA-N -1 3 230.308 0.698 20 0 BCADHM CC(C)CNC(=O)CN(CCC(=O)[O-])C(C)C ZINC000037595970 600220949 /nfs/dbraw/zinc/22/09/49/600220949.db2.gz OCZDXTOTGZWLOV-UHFFFAOYSA-N -1 3 244.335 0.944 20 0 BCADHM CCN(CC)C(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000249968499 600371082 /nfs/dbraw/zinc/37/10/82/600371082.db2.gz OFFQSHVFANRCCO-UWVGGRQHSA-N -1 3 244.335 0.896 20 0 BCADHM CCCNC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000042706234 600371638 /nfs/dbraw/zinc/37/16/38/600371638.db2.gz GEONJWIMSKVCDJ-BDAKNGLRSA-N -1 3 230.308 0.554 20 0 BCADHM C[C@H](CN(C)[C@@H](C)C(=O)NC1CC1)C(=O)[O-] ZINC000042706290 600372106 /nfs/dbraw/zinc/37/21/06/600372106.db2.gz ICNBZCUUDKMMPP-SFYZADRCSA-N -1 3 228.292 0.306 20 0 BCADHM CCCCNC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000249810094 600373766 /nfs/dbraw/zinc/37/37/66/600373766.db2.gz BSIVXYGSBSVCOA-VHSXEESVSA-N -1 3 244.335 0.944 20 0 BCADHM CCCCNC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000042706266 600374124 /nfs/dbraw/zinc/37/41/24/600374124.db2.gz BSIVXYGSBSVCOA-NXEZZACHSA-N -1 3 244.335 0.944 20 0 BCADHM COc1cccc(CN2CC[C@@H](C(=O)[O-])C2)n1 ZINC000070094183 600539881 /nfs/dbraw/zinc/53/98/81/600539881.db2.gz OZLBBOKUHXJPJK-SECBINFHSA-N -1 3 236.271 0.997 20 0 BCADHM CC(C)(O)CNCc1ccc(C(=O)[O-])o1 ZINC000083461524 600523812 /nfs/dbraw/zinc/52/38/12/600523812.db2.gz IWSYABCIEVQACJ-UHFFFAOYSA-N -1 3 213.233 0.838 20 0 BCADHM O=C([O-])c1ccoc1CN1CC[C@@H](CO)C1 ZINC000165896962 600622399 /nfs/dbraw/zinc/62/23/99/600622399.db2.gz IRRGAALNZXGELY-MRVPVSSYSA-N -1 3 225.244 0.792 20 0 BCADHM CCN(CC)CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000737086337 600644856 /nfs/dbraw/zinc/64/48/56/600644856.db2.gz WDPKMCGLETVNKR-JTQLQIEISA-N -1 3 244.335 0.944 20 0 BCADHM C[C@H]1CN(C[C@](C)(O)C(=O)[O-])CC(C)(C)O1 ZINC000070714603 600762329 /nfs/dbraw/zinc/76/23/29/600762329.db2.gz DUNOESRNURCPQT-KWQFWETISA-N -1 3 231.292 0.321 20 0 BCADHM Cn1ccnc1CNC(C)(C)CC(=O)[O-] ZINC000703343344 600800419 /nfs/dbraw/zinc/80/04/19/600800419.db2.gz FXCCGWOQWLLYKM-UHFFFAOYSA-N -1 3 211.265 0.763 20 0 BCADHM CC1(C)CCN(CC(=O)NCCC(=O)[O-])C1 ZINC000828069336 600849262 /nfs/dbraw/zinc/84/92/62/600849262.db2.gz UCXXQKMDDFRMIK-UHFFFAOYSA-N -1 3 228.292 0.309 20 0 BCADHM CN(CC(=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000381119619 601028896 /nfs/dbraw/zinc/02/88/96/601028896.db2.gz IFZDMRCUVNTJQI-BDAKNGLRSA-N -1 3 249.332 0.359 20 0 BCADHM C/C(=C/CN(C)C[C@H]1CN(C)CCO1)C(=O)[O-] ZINC000707886354 601163505 /nfs/dbraw/zinc/16/35/05/601163505.db2.gz WBPQMIPUEZFYCL-FGUAACIASA-N -1 3 242.319 0.280 20 0 BCADHM Cn1cncc1CN1CCC(C(=O)[O-])CC1 ZINC000085182606 601308777 /nfs/dbraw/zinc/30/87/77/601308777.db2.gz BFJPRKZTZWMIES-UHFFFAOYSA-N -1 3 223.276 0.717 20 0 BCADHM CCN(CCC(=O)[O-])Cc1cncn1C ZINC000085182635 601312400 /nfs/dbraw/zinc/31/24/00/601312400.db2.gz VXFGQZUVHLPXCD-UHFFFAOYSA-N -1 3 211.265 0.717 20 0 BCADHM CN(CCC(=O)[O-])[C@H]1CCCCNC1=O ZINC000308857177 601379955 /nfs/dbraw/zinc/37/99/55/601379955.db2.gz QHCROLJDPMGBJP-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM CCC[C@](C)(NCc1ncnn1C)C(=O)[O-] ZINC000083972301 601418064 /nfs/dbraw/zinc/41/80/64/601418064.db2.gz SBQPLVFXQVFYAK-JTQLQIEISA-N -1 3 226.280 0.548 20 0 BCADHM COCCCCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000831692387 601442986 /nfs/dbraw/zinc/44/29/86/601442986.db2.gz SETGHKUGPUJTFU-JTQLQIEISA-N -1 3 219.256 0.912 20 0 BCADHM O=C([O-])C[C@H]1CN(CCCCCCO)CCO1 ZINC000236490853 601451785 /nfs/dbraw/zinc/45/17/85/601451785.db2.gz KIABEONRESIFLF-NSHDSACASA-N -1 3 245.319 0.715 20 0 BCADHM CCN(CC)CC(=O)NCC(C)(C)C(=O)[O-] ZINC000309355263 601712884 /nfs/dbraw/zinc/71/28/84/601712884.db2.gz NTCOUVHPBUXAQP-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM CN(CCO)Cc1ccsc1C(=O)[O-] ZINC000082501668 601807458 /nfs/dbraw/zinc/80/74/58/601807458.db2.gz HOQVAXHCEXGTFT-UHFFFAOYSA-N -1 3 215.274 0.870 20 0 BCADHM COCC[C@H](C)N1CCO[C@@H](C(=O)[O-])C1 ZINC000226451738 601822332 /nfs/dbraw/zinc/82/23/32/601822332.db2.gz QSXLUDHNNYTTLU-DTWKUNHWSA-N -1 3 217.265 0.197 20 0 BCADHM Cc1ccnc(N2CCN(CC(=O)[O-])CC2)c1 ZINC000058022112 601854941 /nfs/dbraw/zinc/85/49/41/601854941.db2.gz RTOUARGCQOEYSO-UHFFFAOYSA-N -1 3 235.287 0.597 20 0 BCADHM COC(=O)CCN1CCCC[C@@H]1CNC(=O)[O-] ZINC000739761521 602045650 /nfs/dbraw/zinc/04/56/50/602045650.db2.gz MRIQAJXARBOADJ-SECBINFHSA-N -1 3 244.291 0.672 20 0 BCADHM Cc1n[nH]cc1CNCCN(C(=O)[O-])C1CC1 ZINC000740206406 602056373 /nfs/dbraw/zinc/05/63/73/602056373.db2.gz DBSIJQFKDXLYBS-UHFFFAOYSA-N -1 3 238.291 0.950 20 0 BCADHM CCCN(CCN(C)C)C(=O)CNC(=O)[O-] ZINC000739357408 602067979 /nfs/dbraw/zinc/06/79/79/602067979.db2.gz QMRXPBOAWMZDBK-UHFFFAOYSA-N -1 3 231.296 0.054 20 0 BCADHM CC(C)[C@H](C(=O)NCCC(=O)[O-])N(C)C ZINC000308886388 602111525 /nfs/dbraw/zinc/11/15/25/602111525.db2.gz VYWCQIRAASYKGN-SECBINFHSA-N -1 3 216.281 0.164 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000258648715 602170758 /nfs/dbraw/zinc/17/07/58/602170758.db2.gz FVAXHQYXAMDWFG-NXEZZACHSA-N -1 3 242.319 0.650 20 0 BCADHM CC(C)[C@H](C(=O)N[C@H](C)C(=O)[O-])N(C)C ZINC000308847668 602252928 /nfs/dbraw/zinc/25/29/28/602252928.db2.gz MVFKRBCYLXYXEG-HTQZYQBOSA-N -1 3 216.281 0.162 20 0 BCADHM CCCN(C)CC(=O)NCC[C@H](C)NC(=O)[O-] ZINC000739350765 602458031 /nfs/dbraw/zinc/45/80/31/602458031.db2.gz OFHWKXIXKDXWJP-VIFPVBQESA-N -1 3 245.323 0.491 20 0 BCADHM CCN(CC)CC(=O)NCCN(CC)C(=O)[O-] ZINC000739405782 602472199 /nfs/dbraw/zinc/47/21/99/602472199.db2.gz DBFPOFARKPSTGL-UHFFFAOYSA-N -1 3 245.323 0.444 20 0 BCADHM CCN(CC)CC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000739407398 602525944 /nfs/dbraw/zinc/52/59/44/602525944.db2.gz KQUXMDBNSRKLCG-SECBINFHSA-N -1 3 245.323 0.443 20 0 BCADHM CCN1CCCN(C(=O)[C@@H](C)NC(=O)[O-])CC1 ZINC000739456679 602640788 /nfs/dbraw/zinc/64/07/88/602640788.db2.gz XXSPIDAEBQOKCC-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM C[C@@H](CCNCc1cc[nH]n1)NC(=O)[O-] ZINC000738908643 602649934 /nfs/dbraw/zinc/64/99/34/602649934.db2.gz XUDACGWEAJFLPV-ZETCQYMHSA-N -1 3 212.253 0.546 20 0 BCADHM C[C@@H]1CN(C(=O)[O-])CCN1C[C@@H]1CCOC1 ZINC000739161219 602736628 /nfs/dbraw/zinc/73/66/28/602736628.db2.gz OUCXIYLPRKOPDO-ZJUUUORDSA-N -1 3 228.292 0.707 20 0 BCADHM C[C@H]1CN(C(=O)[O-])CCN1C[C@H]1CCOC1 ZINC000739161218 602736641 /nfs/dbraw/zinc/73/66/41/602736641.db2.gz OUCXIYLPRKOPDO-VHSXEESVSA-N -1 3 228.292 0.707 20 0 BCADHM CCOCCN1CCCN(C(=O)[O-])CC1 ZINC000739494040 602739500 /nfs/dbraw/zinc/73/95/00/602739500.db2.gz YQIARQZAZVEYHS-UHFFFAOYSA-N -1 3 216.281 0.709 20 0 BCADHM CC(C)[C@H](CNCc1cn[nH]c1)NC(=O)[O-] ZINC000738794888 602791968 /nfs/dbraw/zinc/79/19/68/602791968.db2.gz SPRKQCYVYUUQOS-VIFPVBQESA-N -1 3 226.280 0.792 20 0 BCADHM COC(=O)CCCN1CCC(NC(=O)[O-])CC1 ZINC000739760628 602991554 /nfs/dbraw/zinc/99/15/54/602991554.db2.gz DEPSHHPCQGBCQK-UHFFFAOYSA-N -1 3 244.291 0.672 20 0 BCADHM O=C([O-])NC[C@@H](NCc1cn[nH]c1)C1CC1 ZINC000740614405 603073383 /nfs/dbraw/zinc/07/33/83/603073383.db2.gz RYKNZTURZPWJMS-SECBINFHSA-N -1 3 224.264 0.546 20 0 BCADHM O=C([O-])N1CCC[C@@H](NCc2cn[nH]c2)C1 ZINC000739927723 603247382 /nfs/dbraw/zinc/24/73/82/603247382.db2.gz QVRLQQHXGJXSPN-SECBINFHSA-N -1 3 224.264 0.642 20 0 BCADHM CC(C)[C@@H](C(=O)NCCN(C)C(=O)[O-])N(C)C ZINC000738763628 603805860 /nfs/dbraw/zinc/80/58/60/603805860.db2.gz IVWWKDNLDZJFSA-VIFPVBQESA-N -1 3 245.323 0.299 20 0 BCADHM CC(C)NC(=O)CCN1CC[C@@H](NC(=O)[O-])C1 ZINC000738856056 604370664 /nfs/dbraw/zinc/37/06/64/604370664.db2.gz STCXVUOSLOGQTK-SECBINFHSA-N -1 3 243.307 0.243 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CCc2ccccn2)C1 ZINC000740597107 604377235 /nfs/dbraw/zinc/37/72/35/604377235.db2.gz UTVKIZDNWIBQPO-LLVKDONJSA-N -1 3 235.287 0.966 20 0 BCADHM O=C([O-])[C@H]1CC12CCN([C@@H]1CCNC1=O)CC2 ZINC000691470985 604422286 /nfs/dbraw/zinc/42/22/86/604422286.db2.gz CWYJAAYZASHMSR-RKDXNWHRSA-N -1 3 238.287 0.062 20 0 BCADHM CN1CC[C@@H](NCc2ccc(C(=O)[O-])o2)C1 ZINC000070946692 604538334 /nfs/dbraw/zinc/53/83/34/604538334.db2.gz JEPSMBNESDXHOT-MRVPVSSYSA-N -1 3 224.260 0.772 20 0 BCADHM Cn1nncc1CN1CCCC[C@@H]1C(=O)[O-] ZINC000394940548 604652094 /nfs/dbraw/zinc/65/20/94/604652094.db2.gz FZLHZYBOORLCGL-SECBINFHSA-N -1 3 224.264 0.254 20 0 BCADHM C[C@@H]1CN(Cc2cc[nH]n2)C[C@H]1C(=O)[O-] ZINC000693680664 604670398 /nfs/dbraw/zinc/67/03/98/604670398.db2.gz QAADVUBCCSZYRR-VXNVDRBHSA-N -1 3 209.249 0.562 20 0 BCADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccnc2)CCN1C ZINC000251781213 604930128 /nfs/dbraw/zinc/93/01/28/604930128.db2.gz MYJZLGHGLWDPQU-ZYHUDNBSSA-N -1 3 249.314 0.843 20 0 BCADHM CC(C)N(CCN(C)C)C(=O)CCC(=O)[O-] ZINC000688218375 604939947 /nfs/dbraw/zinc/93/99/47/604939947.db2.gz VQURNHXVKUMALD-UHFFFAOYSA-N -1 3 230.308 0.650 20 0 BCADHM CC(C)[C@H](C(=O)NC1CN(C(=O)[O-])C1)N(C)C ZINC000738768731 604950498 /nfs/dbraw/zinc/95/04/98/604950498.db2.gz YAYGPJZEZURFJE-SECBINFHSA-N -1 3 243.307 0.051 20 0 BCADHM C[C@@H]1C[C@@H](CN2CCO[C@H](C(=O)[O-])C2)CCO1 ZINC000257637781 605477606 /nfs/dbraw/zinc/47/76/06/605477606.db2.gz AEQHMBANZMPPCY-VWYCJHECSA-N -1 3 243.303 0.587 20 0 BCADHM C[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095245189 606060256 /nfs/dbraw/zinc/06/02/56/606060256.db2.gz ALBVYSMHUUNYRI-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM C[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095245189 606060261 /nfs/dbraw/zinc/06/02/61/606060261.db2.gz ALBVYSMHUUNYRI-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM C=CCCOC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000095216398 606388298 /nfs/dbraw/zinc/38/82/98/606388298.db2.gz HHIKRJICEPKOER-UHFFFAOYSA-N -1 3 247.258 0.938 20 0 BCADHM C=CCCOC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000095216398 606388301 /nfs/dbraw/zinc/38/83/01/606388301.db2.gz HHIKRJICEPKOER-UHFFFAOYSA-N -1 3 247.258 0.938 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](O)C2)n1 ZINC000095322792 607227986 /nfs/dbraw/zinc/22/79/86/607227986.db2.gz WYAYGGOONZHNDD-QMMMGPOBSA-N -1 3 246.274 0.141 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](O)C2)n1 ZINC000095322792 607227987 /nfs/dbraw/zinc/22/79/87/607227987.db2.gz WYAYGGOONZHNDD-QMMMGPOBSA-N -1 3 246.274 0.141 20 0 BCADHM C[C@H](CO)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC000824440289 607837768 /nfs/dbraw/zinc/83/77/68/607837768.db2.gz BUPMUHRFJIOZRX-SSDOTTSWSA-N -1 3 234.263 0.079 20 0 BCADHM C[C@H](CO)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC000824440289 607837769 /nfs/dbraw/zinc/83/77/69/607837769.db2.gz BUPMUHRFJIOZRX-SSDOTTSWSA-N -1 3 234.263 0.079 20 0 BCADHM C[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC000095245079 608551827 /nfs/dbraw/zinc/55/18/27/608551827.db2.gz IXOBLCYBFTZPLW-LURJTMIESA-N -1 3 237.238 0.799 20 0 BCADHM C[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC000095245079 608551828 /nfs/dbraw/zinc/55/18/28/608551828.db2.gz IXOBLCYBFTZPLW-LURJTMIESA-N -1 3 237.238 0.799 20 0 BCADHM C[C@H](O)CNc1ccc(-c2nn[n-]n2)cc1F ZINC000095244993 608552176 /nfs/dbraw/zinc/55/21/76/608552176.db2.gz LRCPHQCAGSZLGL-LURJTMIESA-N -1 3 237.238 0.799 20 0 BCADHM CC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC000095162777 608586426 /nfs/dbraw/zinc/58/64/26/608586426.db2.gz GNYPDZZRJUDIGM-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM CC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC000095162777 608586427 /nfs/dbraw/zinc/58/64/27/608586427.db2.gz GNYPDZZRJUDIGM-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM CC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095162789 608586438 /nfs/dbraw/zinc/58/64/38/608586438.db2.gz KKARAQLPKNGRII-MRVPVSSYSA-N -1 3 234.263 0.445 20 0 BCADHM CC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095162789 608586439 /nfs/dbraw/zinc/58/64/39/608586439.db2.gz KKARAQLPKNGRII-MRVPVSSYSA-N -1 3 234.263 0.445 20 0 BCADHM COC(=O)CCCC(=O)[N-]O[C@H](CO)C(C)C ZINC000857285923 634420662 /nfs/dbraw/zinc/42/06/62/634420662.db2.gz NSFRIRAUZVDEOM-SECBINFHSA-N -1 3 247.291 0.394 20 0 BCADHM Cc1nc(NCCc2cn(C)cn2)cc(=O)[n-]1 ZINC000313474198 634462378 /nfs/dbraw/zinc/46/23/78/634462378.db2.gz WKLQVKKOKOOGBT-UHFFFAOYSA-N -1 3 233.275 0.879 20 0 BCADHM C[C@@H](Nc1cc(=O)[n-]cn1)c1ncnn1C ZINC000893433885 634467927 /nfs/dbraw/zinc/46/79/27/634467927.db2.gz NQGPESIYLHDGQT-ZCFIWIBFSA-N -1 3 220.236 0.484 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCN(C(=O)CC)C1 ZINC000178447968 634544130 /nfs/dbraw/zinc/54/41/30/634544130.db2.gz QWUYIZAGCAXWIG-QMMMGPOBSA-N -1 3 214.265 0.313 20 0 BCADHM C[C@@H](CN(C)c1nccs1)c1nnn[n-]1 ZINC000095244204 635436478 /nfs/dbraw/zinc/43/64/78/635436478.db2.gz OPZALDFNGSZWHQ-LURJTMIESA-N -1 3 224.293 0.896 20 0 BCADHM C[C@@H](CN(C)c1nccs1)c1nn[n-]n1 ZINC000095244204 635436492 /nfs/dbraw/zinc/43/64/92/635436492.db2.gz OPZALDFNGSZWHQ-LURJTMIESA-N -1 3 224.293 0.896 20 0 BCADHM CCN(CC(N)=O)Cc1ccc([O-])c(F)c1 ZINC000233434463 635531029 /nfs/dbraw/zinc/53/10/29/635531029.db2.gz YJGXEYAFLKRIPQ-UHFFFAOYSA-N -1 3 226.251 0.839 20 0 BCADHM CCCO[N-]C(=O)Nc1nnn(C(C)C)n1 ZINC000933455822 631380861 /nfs/dbraw/zinc/38/08/61/631380861.db2.gz VEEISWLLSGRDGA-UHFFFAOYSA-N -1 3 228.256 0.717 20 0 BCADHM Cn1nnc(NC([O-])=NOC2CCCCC2)n1 ZINC000932260165 635626425 /nfs/dbraw/zinc/62/64/25/635626425.db2.gz CQAAEFNIZOLWDB-UHFFFAOYSA-N -1 3 240.267 0.596 20 0 BCADHM Cn1nnc(NC(=O)[N-]OC2CCCCC2)n1 ZINC000932260165 635626430 /nfs/dbraw/zinc/62/64/30/635626430.db2.gz CQAAEFNIZOLWDB-UHFFFAOYSA-N -1 3 240.267 0.596 20 0 BCADHM CCCCCCNC(=O)CO[N-]C(C)=O ZINC000084489739 631713647 /nfs/dbraw/zinc/71/36/47/631713647.db2.gz XLQISYROLXUHDI-UHFFFAOYSA-N -1 3 216.281 0.751 20 0 BCADHM COCC[C@H](COC)Nc1cc(=O)[n-]cn1 ZINC000309281834 631994649 /nfs/dbraw/zinc/99/46/49/631994649.db2.gz FTEAUCSIVKIORG-MRVPVSSYSA-N -1 3 227.264 0.646 20 0 BCADHM CC[C@](C)(NC(=O)c1ccccc1[O-])C(N)=O ZINC000310161130 632707650 /nfs/dbraw/zinc/70/76/50/632707650.db2.gz LLXWSMWYXXUNJD-LBPRGKRZSA-N -1 3 236.271 0.776 20 0 BCADHM Cc1nc(N2CC[C@@](C)(O)C2)cc(=O)[n-]1 ZINC000235932488 632853117 /nfs/dbraw/zinc/85/31/17/632853117.db2.gz DAUGFLOPDXZFQF-SNVBAGLBSA-N -1 3 209.249 0.452 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2C[C@H]2C)[n-]1 ZINC000162052249 632866629 /nfs/dbraw/zinc/86/66/29/632866629.db2.gz BSNZSCZBKSTDGP-PHDIDXHHSA-N -1 3 210.237 0.798 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2C[C@H]2C)n[n-]1 ZINC000162052249 632866630 /nfs/dbraw/zinc/86/66/30/632866630.db2.gz BSNZSCZBKSTDGP-PHDIDXHHSA-N -1 3 210.237 0.798 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2C[C@H]2C)n1 ZINC000162052249 632866631 /nfs/dbraw/zinc/86/66/31/632866631.db2.gz BSNZSCZBKSTDGP-PHDIDXHHSA-N -1 3 210.237 0.798 20 0 BCADHM CC(=O)[N-]OCC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000178194443 632985004 /nfs/dbraw/zinc/98/50/04/632985004.db2.gz ZWFYCMWOZVIAND-DTORHVGOSA-N -1 3 228.292 0.559 20 0 BCADHM CC(=O)[N-]OCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000178196142 632988006 /nfs/dbraw/zinc/98/80/06/632988006.db2.gz JTEXYYXCWOOEOW-RKDXNWHRSA-N -1 3 228.292 0.844 20 0 BCADHM CC(=O)[N-]OCC(=O)N1CCCC[C@H]1C ZINC000178196370 632988670 /nfs/dbraw/zinc/98/86/70/632988670.db2.gz RZKZAFFOLORVFN-MRVPVSSYSA-N -1 3 214.265 0.455 20 0 BCADHM O=C([O-])c1cc(N[C@@H]2CCN(C3CC3)C2)ncn1 ZINC000310821463 633001198 /nfs/dbraw/zinc/00/11/98/633001198.db2.gz XGAOYTHUJPXEKG-MRVPVSSYSA-N -1 3 248.286 0.823 20 0 BCADHM C[C@@H](Cn1cccn1)Nc1cc(=O)[n-]cn1 ZINC000165239279 633088510 /nfs/dbraw/zinc/08/85/10/633088510.db2.gz BWVSBMNKZOUXFG-QMMMGPOBSA-N -1 3 219.248 0.467 20 0 BCADHM Cc1nc(NCCc2nnc[nH]2)cc(=O)[n-]1 ZINC000165285596 633089275 /nfs/dbraw/zinc/08/92/75/633089275.db2.gz FCNZHQIZUHAENT-UHFFFAOYSA-N -1 3 220.236 0.263 20 0 BCADHM C[C@H]1CN(c2cc(=O)[n-]cn2)CC(C)(C)O1 ZINC000165399979 633091516 /nfs/dbraw/zinc/09/15/16/633091516.db2.gz PKHUTKQTWFLBLS-QMMMGPOBSA-N -1 3 223.276 0.774 20 0 BCADHM CCC1(CC(=O)[N-]OCCCOC)COC1 ZINC000935966791 633161105 /nfs/dbraw/zinc/16/11/05/633161105.db2.gz VIUNOPLRYFDLOV-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM Cn1c(Cl)cnc1C[N-]C(=O)C(F)F ZINC000306760091 635975721 /nfs/dbraw/zinc/97/57/21/635975721.db2.gz WCBXQZFZNUAATR-UHFFFAOYSA-N -1 3 223.610 0.955 20 0 BCADHM Fc1nccnc1N1CCC(c2nnn[n-]2)CC1 ZINC000895007113 636015369 /nfs/dbraw/zinc/01/53/69/636015369.db2.gz YICPBVALSHQSLO-UHFFFAOYSA-N -1 3 249.253 0.513 20 0 BCADHM Fc1nccnc1N1CCC(c2nn[n-]n2)CC1 ZINC000895007113 636015371 /nfs/dbraw/zinc/01/53/71/636015371.db2.gz YICPBVALSHQSLO-UHFFFAOYSA-N -1 3 249.253 0.513 20 0 BCADHM c1cnc(N2CCC(c3nnn[n-]3)CC2)cn1 ZINC000895006891 636016414 /nfs/dbraw/zinc/01/64/14/636016414.db2.gz VXGSRIYPBDEITN-UHFFFAOYSA-N -1 3 231.263 0.374 20 0 BCADHM c1cnc(N2CCC(c3nn[n-]n3)CC2)cn1 ZINC000895006891 636016418 /nfs/dbraw/zinc/01/64/18/636016418.db2.gz VXGSRIYPBDEITN-UHFFFAOYSA-N -1 3 231.263 0.374 20 0 BCADHM CC(C)N(C)CC(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000909468123 636082171 /nfs/dbraw/zinc/08/21/71/636082171.db2.gz VROSIACULNQXSS-JTQLQIEISA-N -1 3 242.319 0.696 20 0 BCADHM Cc1ccc(NC(=O)[N-]OCC(N)=O)c(F)c1 ZINC000180600915 633897070 /nfs/dbraw/zinc/89/70/70/633897070.db2.gz ACNUZDAVZBWNLN-UHFFFAOYSA-N -1 3 241.222 0.673 20 0 BCADHM COc1nnc(NC(=O)C2=C(C)OCCC2)[n-]1 ZINC000183002586 633964676 /nfs/dbraw/zinc/96/46/76/633964676.db2.gz IVPUIUYMDQFKAD-UHFFFAOYSA-N -1 3 238.247 0.836 20 0 BCADHM COc1nc(NC(=O)C2=C(C)OCCC2)n[n-]1 ZINC000183002586 633964682 /nfs/dbraw/zinc/96/46/82/633964682.db2.gz IVPUIUYMDQFKAD-UHFFFAOYSA-N -1 3 238.247 0.836 20 0 BCADHM COc1n[n-]c(NC(=O)C2=C(C)OCCC2)n1 ZINC000183002586 633964685 /nfs/dbraw/zinc/96/46/85/633964685.db2.gz IVPUIUYMDQFKAD-UHFFFAOYSA-N -1 3 238.247 0.836 20 0 BCADHM CCOCCO[N-]C(=O)Cc1cnn(C)c1 ZINC000184774195 634019219 /nfs/dbraw/zinc/01/92/19/634019219.db2.gz CBNNYVSZGNVZPQ-UHFFFAOYSA-N -1 3 227.264 0.047 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1CCCCN1CC ZINC000186892861 634088762 /nfs/dbraw/zinc/08/87/62/634088762.db2.gz FXTSJJVWOFXSNE-NSHDSACASA-N -1 3 244.335 0.945 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000725897963 634094772 /nfs/dbraw/zinc/09/47/72/634094772.db2.gz JFGLNVLNFCSGPT-VHSXEESVSA-N -1 3 228.292 0.655 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000725897953 634097322 /nfs/dbraw/zinc/09/73/22/634097322.db2.gz JFGLNVLNFCSGPT-NXEZZACHSA-N -1 3 228.292 0.655 20 0 BCADHM O=C(C[C@H]1CCCOC1)[N-]OC[C@@H]1CCOC1 ZINC000194319633 634312148 /nfs/dbraw/zinc/31/21/48/634312148.db2.gz RNAVAXJINUJDQQ-GHMZBOCLSA-N -1 3 243.303 0.887 20 0 BCADHM CC[C@@H](CO)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931312121 634327803 /nfs/dbraw/zinc/32/78/03/634327803.db2.gz PMCGLGMWBQXHDF-QMMMGPOBSA-N -1 3 223.276 0.577 20 0 BCADHM C#CCNc1ccc(-c2nnn[n-]2)cn1 ZINC000095119999 635424957 /nfs/dbraw/zinc/42/49/57/635424957.db2.gz IHBUFWWGEWBHAI-UHFFFAOYSA-N -1 3 200.205 0.307 20 0 BCADHM C#CCNc1ccc(-c2nn[n-]n2)cn1 ZINC000095119999 635424969 /nfs/dbraw/zinc/42/49/69/635424969.db2.gz IHBUFWWGEWBHAI-UHFFFAOYSA-N -1 3 200.205 0.307 20 0 BCADHM CO[C@@H]1COC[C@@H]1Nc1cc(=O)[n-]c(C)n1 ZINC000894172191 635738555 /nfs/dbraw/zinc/73/85/55/635738555.db2.gz QCVLIFYEYXAKDJ-JGVFFNPUSA-N -1 3 225.248 0.316 20 0 BCADHM CN(C)CC(=O)[N-]OCc1ccccn1 ZINC000909529064 636178003 /nfs/dbraw/zinc/17/80/03/636178003.db2.gz LVEGTGGISGBFFJ-UHFFFAOYSA-N -1 3 209.249 0.191 20 0 BCADHM Cc1nc(N2CC[C@H](O)[C@H](C)C2)cc(=O)[n-]1 ZINC000127131496 636285474 /nfs/dbraw/zinc/28/54/74/636285474.db2.gz ZJUQEMYODCENAX-APPZFPTMSA-N -1 3 223.276 0.698 20 0 BCADHM O=C([O-])C[C@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000054299240 636347774 /nfs/dbraw/zinc/34/77/74/636347774.db2.gz CKXNKZTYLIDHMM-SNVBAGLBSA-N -1 3 240.303 0.405 20 0 BCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCO1 ZINC000897358225 636411834 /nfs/dbraw/zinc/41/18/34/636411834.db2.gz PYWORIFWKZOHLP-UHFFFAOYSA-N -1 3 246.230 0.039 20 0 BCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCO1 ZINC000897358225 636411836 /nfs/dbraw/zinc/41/18/36/636411836.db2.gz PYWORIFWKZOHLP-UHFFFAOYSA-N -1 3 246.230 0.039 20 0 BCADHM O[C@H](CCN=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000897387363 636570273 /nfs/dbraw/zinc/57/02/73/636570273.db2.gz RLNAHKASMMRPNL-SECBINFHSA-N -1 3 233.275 0.299 20 0 BCADHM COc1cccc([O-])c1C(=O)N1CC[C@H]1CO ZINC000889156729 636691990 /nfs/dbraw/zinc/69/19/90/636691990.db2.gz DLKMSKIDGFXPPB-QMMMGPOBSA-N -1 3 237.255 0.608 20 0 BCADHM CCC[C@@H](NC(=O)[C@@H](CC)N(C)C)C(=O)[O-] ZINC000901487698 637256622 /nfs/dbraw/zinc/25/66/22/637256622.db2.gz AFBKRYQDDQIQGW-RKDXNWHRSA-N -1 3 230.308 0.696 20 0 BCADHM C[C@@H]1COC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000905007080 637544496 /nfs/dbraw/zinc/54/44/96/637544496.db2.gz UCMRLGPCAKMQAN-SVRRBLITSA-N -1 3 219.248 0.173 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)N1CCCC1 ZINC000905151174 637663020 /nfs/dbraw/zinc/66/30/20/637663020.db2.gz KCIFSISCISPUIR-SECBINFHSA-N -1 3 238.291 0.304 20 0 BCADHM O=C([N-]OCc1cccnc1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907091591 638302003 /nfs/dbraw/zinc/30/20/03/638302003.db2.gz SEDISZDKIWSUEB-JLLWLGSASA-N -1 3 246.266 0.855 20 0 BCADHM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)Nc1nnc(OC)[n-]1 ZINC000907193521 638324316 /nfs/dbraw/zinc/32/43/16/638324316.db2.gz YGONUCVKQIQZHB-LYFYHCNISA-N -1 3 240.263 0.423 20 0 BCADHM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)Nc1n[n-]c(OC)n1 ZINC000907193521 638324322 /nfs/dbraw/zinc/32/43/22/638324322.db2.gz YGONUCVKQIQZHB-LYFYHCNISA-N -1 3 240.263 0.423 20 0 BCADHM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)Nc1nc(OC)n[n-]1 ZINC000907193521 638324327 /nfs/dbraw/zinc/32/43/27/638324327.db2.gz YGONUCVKQIQZHB-LYFYHCNISA-N -1 3 240.263 0.423 20 0 BCADHM O=C([N-]OC1CCOCC1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907477717 638385370 /nfs/dbraw/zinc/38/53/70/638385370.db2.gz RLWPZFPWSRMXRI-IEBDPFPHSA-N -1 3 239.271 0.438 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000907795391 638473457 /nfs/dbraw/zinc/47/34/57/638473457.db2.gz XELUWJNSCZZTPT-CNUIFLNQSA-N -1 3 227.260 0.030 20 0 BCADHM CC(Cl)=CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000908233039 638621637 /nfs/dbraw/zinc/62/16/37/638621637.db2.gz RQXBHPQLRAIHOT-ALCCZGGFSA-N -1 3 243.694 0.901 20 0 BCADHM CN1C[C@H](O)C[C@@]1(C)C(=O)[N-]OC/C=C\Cl ZINC000908309880 638652866 /nfs/dbraw/zinc/65/28/66/638652866.db2.gz ATXKKMWQOVAZES-WXBDLOEDSA-N -1 3 248.710 0.242 20 0 BCADHM O=C(NC1CC(=O)C1)c1cc2c(cc1[O-])OCO2 ZINC000908473169 638739749 /nfs/dbraw/zinc/73/97/49/638739749.db2.gz RKXKSKSJEGEWIS-UHFFFAOYSA-N -1 3 249.222 0.582 20 0 BCADHM CCCN(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908766886 639065151 /nfs/dbraw/zinc/06/51/51/639065151.db2.gz VAGHWUBBKABUAP-JTQLQIEISA-N -1 3 242.319 0.651 20 0 BCADHM CCN(CC)CC(=O)N(CCC(=O)[O-])C1CC1 ZINC000908873003 639088584 /nfs/dbraw/zinc/08/85/84/639088584.db2.gz JMMNRDKLZYIJNG-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM CC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)N(C)C ZINC000908971539 639107028 /nfs/dbraw/zinc/10/70/28/639107028.db2.gz LSJPZYLZIUGSEI-RKDXNWHRSA-N -1 3 244.335 0.942 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1COC(=O)c1c[n-]nn1 ZINC000909311374 639202999 /nfs/dbraw/zinc/20/29/99/639202999.db2.gz JYKZKDJVLZRQCX-NKWVEPMBSA-N -1 3 239.231 0.161 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1COC(=O)c1cnn[n-]1 ZINC000909311374 639202997 /nfs/dbraw/zinc/20/29/97/639202997.db2.gz JYKZKDJVLZRQCX-NKWVEPMBSA-N -1 3 239.231 0.161 20 0 BCADHM CCOC(=O)Cn1[n-]c(C)c(F)c1=O ZINC000149955383 639211101 /nfs/dbraw/zinc/21/11/01/639211101.db2.gz QCNKHBXBLYKGSN-ZETCQYMHSA-N -1 3 202.185 0.106 20 0 BCADHM CCC[C@H](CNC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000909814474 639228488 /nfs/dbraw/zinc/22/84/88/639228488.db2.gz OLMATSGBHFAWNJ-SNVBAGLBSA-N -1 3 244.335 0.944 20 0 BCADHM CN(C(=O)CN1CCCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000909990355 639302822 /nfs/dbraw/zinc/30/28/22/639302822.db2.gz BQIVWDHVVUBRJT-AOOOYVTPSA-N -1 3 240.303 0.404 20 0 BCADHM CC[C@H](C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)N(C)C ZINC000909991146 639303625 /nfs/dbraw/zinc/30/36/25/639303625.db2.gz LPKBNMZIWPJNJT-KXUCPTDWSA-N -1 3 242.319 0.648 20 0 BCADHM C[C@@H](CNc1ccncc1CO)C(=O)[O-] ZINC000910312611 639409140 /nfs/dbraw/zinc/40/91/40/639409140.db2.gz MJTWWZIAGUTORW-ZETCQYMHSA-N -1 3 210.233 0.128 20 0 BCADHM C[C@H]1[C@H](C(=O)[O-])CCN1c1ccncc1CO ZINC000910317998 639411297 /nfs/dbraw/zinc/41/12/97/639411297.db2.gz ZAWNFPFWHMBJQU-WCBMZHEXSA-N -1 3 236.271 0.873 20 0 BCADHM O=C([O-])[C@H]1CCN(c2ccncc2CO)C1 ZINC000910406447 639432485 /nfs/dbraw/zinc/43/24/85/639432485.db2.gz QIPWBBCHGXEWRA-QMMMGPOBSA-N -1 3 222.244 0.485 20 0 BCADHM O=C([O-])[C@H]1C[C@H](Nc2ccncc2CO)C1 ZINC000910430096 639446686 /nfs/dbraw/zinc/44/66/86/639446686.db2.gz CVGWGFIVNXCIKX-XWEPSHTISA-N -1 3 222.244 0.271 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000910985608 639557086 /nfs/dbraw/zinc/55/70/86/639557086.db2.gz AOBZVIVVSXXSAM-GUBZILKMSA-N -1 3 242.319 0.552 20 0 BCADHM CC[C@H](C(=O)[O-])C(=O)NCCN1CCCCC1 ZINC000911132799 639581601 /nfs/dbraw/zinc/58/16/01/639581601.db2.gz KSRMCWDUHLOCGM-JTQLQIEISA-N -1 3 242.319 0.699 20 0 BCADHM CC[C@H](CO)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000930499074 639786204 /nfs/dbraw/zinc/78/62/04/639786204.db2.gz UKKXYJCYMNEVKU-RKDXNWHRSA-N -1 3 240.307 0.461 20 0 BCADHM C[C@@H]1CCCCN1NC(=O)c1cc(=O)[n-]cn1 ZINC000912158863 639958764 /nfs/dbraw/zinc/95/87/64/639958764.db2.gz KIBXNKGPGOZSIV-MRVPVSSYSA-N -1 3 236.275 0.701 20 0 BCADHM CCCN1CCC[C@H]1C(=O)N(C)c1nnn[n-]1 ZINC000912618472 640130000 /nfs/dbraw/zinc/13/00/00/640130000.db2.gz VNPZDLZYFKSBIH-QMMMGPOBSA-N -1 3 238.295 0.037 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1nncs1)C2 ZINC000931312445 640147728 /nfs/dbraw/zinc/14/77/28/640147728.db2.gz SHIFGOZNJZDDEE-UHFFFAOYSA-N -1 3 249.299 0.858 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CC1OCCO1)C2 ZINC000931314752 640149679 /nfs/dbraw/zinc/14/96/79/640149679.db2.gz GPIVXVGEPNJSPW-UHFFFAOYSA-N -1 3 237.259 0.179 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccno1)C2 ZINC000931314525 640150741 /nfs/dbraw/zinc/15/07/41/640150741.db2.gz CNYJSLICIDEUOK-UHFFFAOYSA-N -1 3 232.243 0.994 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C[C@@H]1CCC(=O)N1)C2 ZINC000931313907 640152761 /nfs/dbraw/zinc/15/27/61/640152761.db2.gz QSLUQUHPJHYRAC-QMMMGPOBSA-N -1 3 248.286 0.085 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1nncn1C)C2 ZINC000931315199 640153113 /nfs/dbraw/zinc/15/31/13/640153113.db2.gz OPLKTLLSTJDKBS-UHFFFAOYSA-N -1 3 246.274 0.135 20 0 BCADHM O=C(CC(F)(F)C(F)F)[N-]N1CCOC1=O ZINC000912995242 640276442 /nfs/dbraw/zinc/27/64/42/640276442.db2.gz BKOXVYJGCWNBFU-UHFFFAOYSA-N -1 3 244.144 0.760 20 0 BCADHM CCCC(=O)N1CCC[C@H](C(=O)[N-]OC)C1 ZINC000054830778 640416065 /nfs/dbraw/zinc/41/60/65/640416065.db2.gz GNFPDEDNRXSJAF-VIFPVBQESA-N -1 3 228.292 0.703 20 0 BCADHM C[C@H](CNC(=O)C(=O)[O-])N1CCCCC1 ZINC000045014986 640487132 /nfs/dbraw/zinc/48/71/32/640487132.db2.gz MGRHMSLQQUCXDZ-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM CCNC(=O)CNc1cc(=O)[n-]c(C)n1 ZINC000165189858 640543538 /nfs/dbraw/zinc/54/35/38/640543538.db2.gz QXNDNEBYAYXAIX-UHFFFAOYSA-N -1 3 210.237 0.039 20 0 BCADHM CCCNC(=O)CNc1cc(=O)[n-]c(C)n1 ZINC000165197897 640544778 /nfs/dbraw/zinc/54/47/78/640544778.db2.gz YMMFTRKUIPGGIS-UHFFFAOYSA-N -1 3 224.264 0.429 20 0 BCADHM Cc1nc(NCCCS(C)(=O)=O)cc(=O)[n-]1 ZINC000165205006 640547733 /nfs/dbraw/zinc/54/77/33/640547733.db2.gz UHHJWSAKSXVXQO-UHFFFAOYSA-N -1 3 245.304 0.337 20 0 BCADHM Cc1nc(NC[C@@H]2COCCO2)cc(=O)[n-]1 ZINC000165205750 640548447 /nfs/dbraw/zinc/54/84/47/640548447.db2.gz HZEMBGOVSKVHLR-MRVPVSSYSA-N -1 3 225.248 0.318 20 0 BCADHM O=c1cc(NC[C@H]2CCC[C@@H]2O)nc[n-]1 ZINC000165293687 640554605 /nfs/dbraw/zinc/55/46/05/640554605.db2.gz YPHROESUAOXZFZ-SFYZADRCSA-N -1 3 209.249 0.343 20 0 BCADHM CC[S@](=O)CCNc1cc(=O)[n-]c(C)n1 ZINC000165354170 640562156 /nfs/dbraw/zinc/56/21/56/640562156.db2.gz GJZWJLISYYPIFA-OAHLLOKOSA-N -1 3 229.305 0.671 20 0 BCADHM C[S@@](=O)CC[N-]C(=O)C(F)(F)C(F)F ZINC000226641535 640786079 /nfs/dbraw/zinc/78/60/79/640786079.db2.gz ONGIYALDPNROQH-CQSZACIVSA-N -1 3 235.202 0.382 20 0 BCADHM CCC[C@H](CCO)CNc1cc(=O)[n-]cn1 ZINC000227454762 640835541 /nfs/dbraw/zinc/83/55/41/640835541.db2.gz MBSXTCDMEAWZRD-SECBINFHSA-N -1 3 225.292 0.981 20 0 BCADHM O=C([N-]Cc1cnc[nH]1)C(F)(F)C(F)F ZINC000228024010 640855037 /nfs/dbraw/zinc/85/50/37/640855037.db2.gz QAASWDBTGROBTP-UHFFFAOYSA-N -1 3 225.145 0.926 20 0 BCADHM CS[C@H](CO)[C@@H](C)Nc1cc(=O)[n-]cn1 ZINC000228324085 640869760 /nfs/dbraw/zinc/86/97/60/640869760.db2.gz YRBVCGOGHPWZFG-RNFRBKRXSA-N -1 3 229.305 0.294 20 0 BCADHM CCC(CC)(CO)CNc1cc(=O)[n-]cn1 ZINC000230248917 641042744 /nfs/dbraw/zinc/04/27/44/641042744.db2.gz NNAQBQSRXWWMPQ-UHFFFAOYSA-N -1 3 225.292 0.981 20 0 BCADHM O=c1cc(NCCSCCCO)nc[n-]1 ZINC000230774942 641093036 /nfs/dbraw/zinc/09/30/36/641093036.db2.gz YFSOANACEUKIPC-UHFFFAOYSA-N -1 3 229.305 0.297 20 0 BCADHM C[C@H]1CSCCCN1Cc1nc(=O)n(C)[n-]1 ZINC000934302760 641121699 /nfs/dbraw/zinc/12/16/99/641121699.db2.gz GJDOACSQCUQNBS-QMMMGPOBSA-N -1 3 242.348 0.436 20 0 BCADHM O=c1[n-]c(CN[C@@H]2CCOC23CCCC3)n[nH]1 ZINC000934387129 641139053 /nfs/dbraw/zinc/13/90/53/641139053.db2.gz XSFWUUUPAQMJRX-MRVPVSSYSA-N -1 3 238.291 0.702 20 0 BCADHM CCc1cnc(CNc2cc(=O)[n-]cn2)o1 ZINC000231659391 641189020 /nfs/dbraw/zinc/18/90/20/641189020.db2.gz BBZGEJXIYAGGHA-UHFFFAOYSA-N -1 3 220.232 0.932 20 0 BCADHM CCCCC1(C(=O)[N-]OCCO)CC1 ZINC000935455518 641411214 /nfs/dbraw/zinc/41/12/14/641411214.db2.gz HGVZBLLUMFDPBY-UHFFFAOYSA-N -1 3 201.266 0.997 20 0 BCADHM Cc1cnc(C(=O)NC23CCN(CC2)C3)c([O-])c1 ZINC000913633162 641444313 /nfs/dbraw/zinc/44/43/13/641444313.db2.gz NSVODZKIHBFVGZ-UHFFFAOYSA-N -1 3 247.298 0.674 20 0 BCADHM O=C(Cc1ccoc1)[N-]OC[C@H]1CCOC1 ZINC000188005170 641741537 /nfs/dbraw/zinc/74/15/37/641741537.db2.gz BZCLKOISKUAWOO-JTQLQIEISA-N -1 3 225.244 0.906 20 0 BCADHM CC(C)CO[N-]C(=O)CCCS(C)(=O)=O ZINC000153365923 641767522 /nfs/dbraw/zinc/76/75/22/641767522.db2.gz POXDYTFQPVUZNT-UHFFFAOYSA-N -1 3 237.321 0.515 20 0 BCADHM CC(C)NC(=O)COC(=O)c1cncc([O-])c1 ZINC000731916072 641821405 /nfs/dbraw/zinc/82/14/05/641821405.db2.gz PHMISZINOSGEEP-UHFFFAOYSA-N -1 3 238.243 0.469 20 0 BCADHM COC(=O)/C=C(\C)CSCCc1nnn[n-]1 ZINC000917858732 642136344 /nfs/dbraw/zinc/13/63/44/642136344.db2.gz KGXWFZBAKHOBJN-FNORWQNLSA-N -1 3 242.304 0.595 20 0 BCADHM COC(=O)/C=C(\C)CSCCc1nn[n-]n1 ZINC000917858732 642136348 /nfs/dbraw/zinc/13/63/48/642136348.db2.gz KGXWFZBAKHOBJN-FNORWQNLSA-N -1 3 242.304 0.595 20 0 BCADHM CC[C@@H](CO)SCCc1nnn[n-]1 ZINC000917859830 642136480 /nfs/dbraw/zinc/13/64/80/642136480.db2.gz YYJXZBKVXJNRSC-LURJTMIESA-N -1 3 202.283 0.246 20 0 BCADHM CC[C@@H](CO)SCCc1nn[n-]n1 ZINC000917859830 642136487 /nfs/dbraw/zinc/13/64/87/642136487.db2.gz YYJXZBKVXJNRSC-LURJTMIESA-N -1 3 202.283 0.246 20 0 BCADHM CN1CC[C@@H]1C[N-]S(=O)(=O)c1cscn1 ZINC000921411895 642613163 /nfs/dbraw/zinc/61/31/63/642613163.db2.gz BAYLXCFECSHBEB-SSDOTTSWSA-N -1 3 247.345 0.126 20 0 BCADHM CCCCCNC(=O)[C@H](C)O[N-]C(C)=O ZINC000180808212 642816690 /nfs/dbraw/zinc/81/66/90/642816690.db2.gz SYYGURKPKNHGJD-QMMMGPOBSA-N -1 3 216.281 0.749 20 0 BCADHM CNC(=O)Cc1sc(N(C)C2CC2)nc1[O-] ZINC000181275316 642857922 /nfs/dbraw/zinc/85/79/22/642857922.db2.gz WQKLBBRDPRUVED-ZETCQYMHSA-N -1 3 241.316 0.215 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C)o1 ZINC000921497684 642875805 /nfs/dbraw/zinc/87/58/05/642875805.db2.gz RUHROUHYUYUVMB-IONNQARKSA-N -1 3 245.300 0.901 20 0 BCADHM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cscn1 ZINC000921498947 642958712 /nfs/dbraw/zinc/95/87/12/642958712.db2.gz PDIFHRTUQIPHQQ-BQBZGAKWSA-N -1 3 248.329 0.456 20 0 BCADHM Cc1cc(F)cc(NC(=O)[N-]OCC(N)=O)c1 ZINC000183282228 643099681 /nfs/dbraw/zinc/09/96/81/643099681.db2.gz BCNWLALNPRBIKH-UHFFFAOYSA-N -1 3 241.222 0.673 20 0 BCADHM CCOCCO[N-]C(=O)CC[C@H](C)OC ZINC000184779802 643236108 /nfs/dbraw/zinc/23/61/08/643236108.db2.gz OTZLJMNOUJMDIU-VIFPVBQESA-N -1 3 219.281 0.886 20 0 BCADHM O=C([N-][C@@H]1CCN(C2CC2)C1)C(F)(F)F ZINC000082277885 643291064 /nfs/dbraw/zinc/29/10/64/643291064.db2.gz BQTVFVXQAHJKMJ-ZCFIWIBFSA-N -1 3 222.210 0.902 20 0 BCADHM O=C(Cc1cncnc1)[N-]OC/C=C/Cl ZINC000812408498 643310362 /nfs/dbraw/zinc/31/03/62/643310362.db2.gz JLWOJRXBJIXKEX-OWOJBTEDSA-N -1 3 227.651 0.819 20 0 BCADHM O=c1cc(NC[C@H]2CC[C@@H](O)C2)nc[n-]1 ZINC000227668940 643645888 /nfs/dbraw/zinc/64/58/88/643645888.db2.gz RRXCWNGFTLJBIL-JGVFFNPUSA-N -1 3 209.249 0.343 20 0 BCADHM O=S(=O)([N-]C1CSC1)c1ccco1 ZINC000921869177 643812416 /nfs/dbraw/zinc/81/24/16/643812416.db2.gz YYEGLASQURVINZ-UHFFFAOYSA-N -1 3 219.287 0.673 20 0 BCADHM COC[C@@H](COC(=O)c1cnn[n-]1)C(C)C ZINC000922731442 644080798 /nfs/dbraw/zinc/08/07/98/644080798.db2.gz ODCKBZILOAUWJW-QMMMGPOBSA-N -1 3 227.264 0.880 20 0 BCADHM COC[C@@H](COC(=O)c1c[n-]nn1)C(C)C ZINC000922731442 644080801 /nfs/dbraw/zinc/08/08/01/644080801.db2.gz ODCKBZILOAUWJW-QMMMGPOBSA-N -1 3 227.264 0.880 20 0 BCADHM CO[N-]C(=O)CNCc1cncc(OC)c1C ZINC000922828132 644103692 /nfs/dbraw/zinc/10/36/92/644103692.db2.gz NUTQVJBWQRVYDF-UHFFFAOYSA-N -1 3 239.275 0.166 20 0 BCADHM CO[N-]C(=O)CNCc1cnc(Cl)c(F)c1 ZINC000922828744 644103804 /nfs/dbraw/zinc/10/38/04/644103804.db2.gz XXWARNKSMOCKRJ-UHFFFAOYSA-N -1 3 247.657 0.641 20 0 BCADHM CO[N-]C(=O)CNCc1cnc(C2CC2)nc1 ZINC000922828055 644104210 /nfs/dbraw/zinc/10/42/10/644104210.db2.gz PYELXPNXYWCHRO-UHFFFAOYSA-N -1 3 236.275 0.121 20 0 BCADHM CCOc1ccccc1CNCC(=O)[N-]OC ZINC000922829462 644105583 /nfs/dbraw/zinc/10/55/83/644105583.db2.gz GPJFZBKZEKBTEP-UHFFFAOYSA-N -1 3 238.287 0.853 20 0 BCADHM CO[N-]C(=O)CNCc1ccc(Cl)nc1 ZINC000922828991 644105946 /nfs/dbraw/zinc/10/59/46/644105946.db2.gz DLIUIXNJXMQCST-UHFFFAOYSA-N -1 3 229.667 0.502 20 0 BCADHM CO[N-]C(=O)CNCc1sccc1OC ZINC000922831225 644112037 /nfs/dbraw/zinc/11/20/37/644112037.db2.gz YISPOGLDHORXIT-UHFFFAOYSA-N -1 3 230.289 0.524 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H](CC)N(C)C ZINC000186899323 644153180 /nfs/dbraw/zinc/15/31/80/644153180.db2.gz JLCBCMAOYOHNDP-SECBINFHSA-N -1 3 218.297 0.411 20 0 BCADHM CCOCCO[N-]C(=O)CN(C)C(C)C ZINC000186898929 644153219 /nfs/dbraw/zinc/15/32/19/644153219.db2.gz WUBLECOJHZOHRS-UHFFFAOYSA-N -1 3 218.297 0.411 20 0 BCADHM O=C([O-])CCN1CCOC[C@@H]1CC1CC1 ZINC000923272882 644306537 /nfs/dbraw/zinc/30/65/37/644306537.db2.gz AWZUBBBXPGOZFD-JTQLQIEISA-N -1 3 213.277 0.962 20 0 BCADHM COc1ncc(C(=O)Nc2ncccc2[O-])cn1 ZINC000082270932 644358891 /nfs/dbraw/zinc/35/88/91/644358891.db2.gz PQTGSTOIDACDGT-UHFFFAOYSA-N -1 3 246.226 0.838 20 0 BCADHM CN1CCC[C@@H]1C(=O)Nc1ccncc1[O-] ZINC000195557091 644395025 /nfs/dbraw/zinc/39/50/25/644395025.db2.gz NILMZYHWGGVPQD-SECBINFHSA-N -1 3 221.260 0.820 20 0 BCADHM CCN(CC)C(=O)CCC(=O)[N-]OC ZINC000087059895 644478614 /nfs/dbraw/zinc/47/86/14/644478614.db2.gz PBDYHAOFFYITDT-UHFFFAOYSA-N -1 3 202.254 0.313 20 0 BCADHM CC1(O)CCC(N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000749282756 644590924 /nfs/dbraw/zinc/59/09/24/644590924.db2.gz PUTCMXMTBKEDRC-UHFFFAOYSA-N -1 3 247.302 0.832 20 0 BCADHM COc1cccnc1[N-]C(=O)c1cccc[n+]1[O-] ZINC000749270304 644591579 /nfs/dbraw/zinc/59/15/79/644591579.db2.gz USJDNUJYNXORJH-UHFFFAOYSA-N -1 3 245.238 0.976 20 0 BCADHM CC[C@@H](OC(=O)c1cncc([O-])c1)C(=O)OC ZINC000762825768 644651619 /nfs/dbraw/zinc/65/16/19/644651619.db2.gz ZIAGJHFFGDCCJP-SECBINFHSA-N -1 3 239.227 0.896 20 0 BCADHM COCCO[N-]C(=O)Cc1ccccc1OC ZINC000096585135 644822985 /nfs/dbraw/zinc/82/29/85/644822985.db2.gz JNPAUPZINVBCIZ-UHFFFAOYSA-N -1 3 239.271 0.932 20 0 BCADHM Cc1ccc(C(=O)NCCNC(N)=O)c([O-])c1 ZINC000096731162 644834073 /nfs/dbraw/zinc/83/40/73/644834073.db2.gz VIXZVAFUTPCONQ-UHFFFAOYSA-N -1 3 237.259 0.099 20 0 BCADHM CCN(CCO)C(=O)c1c([O-])cccc1OC ZINC000096785603 644836361 /nfs/dbraw/zinc/83/63/61/644836361.db2.gz AJHZBYRNTVCVJE-UHFFFAOYSA-N -1 3 239.271 0.855 20 0 BCADHM COc1cccc([O-])c1C(=O)N1CCOCC1 ZINC000096785539 644836912 /nfs/dbraw/zinc/83/69/12/644836912.db2.gz HAYMXORTLGTHPG-UHFFFAOYSA-N -1 3 237.255 0.873 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](N)CC1CC1 ZINC000304390475 644901489 /nfs/dbraw/zinc/90/14/89/644901489.db2.gz SWTREDMTQJVJLH-DTWKUNHWSA-N -1 3 228.292 0.435 20 0 BCADHM C[C@H](O)C[C@@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000304557662 644914998 /nfs/dbraw/zinc/91/49/98/644914998.db2.gz NFMKYGJXAHUJQX-IUCAKERBSA-N -1 3 223.276 0.922 20 0 BCADHM CCC(=O)N1CC[C@H](C(=O)[N-]OCC2CC2)C1 ZINC000817339361 644971862 /nfs/dbraw/zinc/97/18/62/644971862.db2.gz FZPDVWLISSSYAE-JTQLQIEISA-N -1 3 240.303 0.703 20 0 BCADHM Cn1nccc1CCC(=O)[N-]OCC1CC1 ZINC000817339776 644972730 /nfs/dbraw/zinc/97/27/30/644972730.db2.gz XDJYWTAEDSERBY-UHFFFAOYSA-N -1 3 223.276 0.811 20 0 BCADHM CS(=O)(=O)CCCC(=O)[N-]OCC1CC1 ZINC000817354520 644973737 /nfs/dbraw/zinc/97/37/37/644973737.db2.gz OMYNFKAYMKTMQA-UHFFFAOYSA-N -1 3 235.305 0.269 20 0 BCADHM Cn1cncc1CCC(=O)[N-]OCC1CC1 ZINC000817339820 644973883 /nfs/dbraw/zinc/97/38/83/644973883.db2.gz YUVFDILMGLOEQO-UHFFFAOYSA-N -1 3 223.276 0.811 20 0 BCADHM CCCN(C)CC(=O)[N-]OCC1CC1 ZINC000817357832 644975801 /nfs/dbraw/zinc/97/58/01/644975801.db2.gz LPGVNLAUGLSOGE-UHFFFAOYSA-N -1 3 200.282 0.786 20 0 BCADHM Cn1cnc(/C=C/C(=O)[N-]OC(C)(C)CO)c1 ZINC000821232041 645031296 /nfs/dbraw/zinc/03/12/96/645031296.db2.gz OQDHQKKHTHJZDZ-SNAWJCMRSA-N -1 3 239.275 0.252 20 0 BCADHM CCc1nnc(C[N-]C(=O)C(C)(F)F)o1 ZINC000821230847 645031964 /nfs/dbraw/zinc/03/19/64/645031964.db2.gz WQQGWOQANGIRIW-UHFFFAOYSA-N -1 3 219.191 0.903 20 0 BCADHM O=C(OC[C@@H]1CCC(=O)N1)c1ccc([O-])cc1 ZINC000845072416 645353018 /nfs/dbraw/zinc/35/30/18/645353018.db2.gz LLGJFIKERWWVMF-VIFPVBQESA-N -1 3 235.239 0.828 20 0 BCADHM O=C(C[C@@H]1CCC(=O)NC1)[N-]OCCC1CC1 ZINC000857512208 645582965 /nfs/dbraw/zinc/58/29/65/645582965.db2.gz JRSGWJDYAXJVQL-JTQLQIEISA-N -1 3 240.303 0.751 20 0 BCADHM CCO[N-]C(=O)[C@@H]1C[C@H]1C(=O)OCC ZINC000929715656 646269798 /nfs/dbraw/zinc/26/97/98/646269798.db2.gz YDUMBTYFSCRWCN-RNFRBKRXSA-N -1 3 201.222 0.253 20 0 BCADHM CC[S@@](C)(=O)=NC(=O)c1cc(=O)[n-]cn1 ZINC000925864478 646516036 /nfs/dbraw/zinc/51/60/36/646516036.db2.gz JMNPWNJFBLRBPI-OAHLLOKOSA-N -1 3 229.261 0.440 20 0 BCADHM CCOC(C)(C)CNc1cc(=O)[n-]cn1 ZINC000167064428 711829066 /nfs/dbraw/zinc/82/90/66/711829066.db2.gz IBFBDSQECVJUTO-UHFFFAOYSA-N -1 3 211.265 0.997 20 0 BCADHM CC(C)Cc1nc(=NCC[S@](C)=O)s[n-]1 ZINC000380170356 712705363 /nfs/dbraw/zinc/70/53/63/712705363.db2.gz DKUQILQNJAENBX-HNNXBMFYSA-N -1 3 247.389 0.949 20 0 BCADHM Cc1nc(NCCn2cncn2)cc(=O)[n-]1 ZINC000381287644 710615891 /nfs/dbraw/zinc/61/58/91/710615891.db2.gz MWSQSIOVQZILTD-UHFFFAOYSA-N -1 3 220.236 0.194 20 0 BCADHM CO[C@@H]1CCOC[C@H]1Nc1cc(=O)[n-]cn1 ZINC000724896640 710749073 /nfs/dbraw/zinc/74/90/73/710749073.db2.gz WGFJLXAYQRLJGX-HTQZYQBOSA-N -1 3 225.248 0.398 20 0 BCADHM COC[C@@](C)(O)C[N-]C(=O)C(F)(F)C(F)F ZINC000382552002 710972486 /nfs/dbraw/zinc/97/24/86/710972486.db2.gz HXQRKOUWSFPMSU-ZETCQYMHSA-N -1 3 247.188 0.400 20 0 BCADHM Cc1nc(N[C@@H]2CCCCNC2=O)cc(=O)[n-]1 ZINC000391499189 711138223 /nfs/dbraw/zinc/13/82/23/711138223.db2.gz VEBDFPWYGLGEKS-MRVPVSSYSA-N -1 3 236.275 0.571 20 0 BCADHM CCN1C[C@@H](Nc2cc(=O)[n-]cn2)CC1=O ZINC000391531329 711138342 /nfs/dbraw/zinc/13/83/42/711138342.db2.gz IHEGUOGFAKOPQF-ZETCQYMHSA-N -1 3 222.248 0.215 20 0 BCADHM Cc1nc(NCc2cnnn2C)cc(=O)[n-]1 ZINC000394992855 711200197 /nfs/dbraw/zinc/20/01/97/711200197.db2.gz NIQJSWRYWHWARK-UHFFFAOYSA-N -1 3 220.236 0.231 20 0 BCADHM C[C@H](C(=O)[O-])N(C(=O)[C@@H](N)CC1CC1)C1CC1 ZINC000383226765 710979264 /nfs/dbraw/zinc/97/92/64/710979264.db2.gz BRTIKXLFGZVPCY-XCBNKYQSSA-N -1 3 240.303 0.578 20 0 BCADHM CCN=c1[n-]cc(C(=O)OCCOC)s1 ZINC000389835644 711091267 /nfs/dbraw/zinc/09/12/67/711091267.db2.gz DMMRAXPTKHPSTM-UHFFFAOYSA-N -1 3 230.289 0.800 20 0 BCADHM CCc1ccc([O-])c(C(=O)N2CCOCN2)c1 ZINC000928952837 711791317 /nfs/dbraw/zinc/79/13/17/711791317.db2.gz OCDNYYIHCZLNGT-UHFFFAOYSA-N -1 3 236.271 0.889 20 0 BCADHM O=c1cc(NC[C@H]2CCCCO2)nc[n-]1 ZINC000165216759 711825727 /nfs/dbraw/zinc/82/57/27/711825727.db2.gz LWHYAUJXGXKRDL-MRVPVSSYSA-N -1 3 209.249 0.751 20 0 BCADHM O=C(NCCCO)c1cc2c(cc1[O-])OCO2 ZINC000139416883 711889312 /nfs/dbraw/zinc/88/93/12/711889312.db2.gz DIAYOCALEBSCET-UHFFFAOYSA-N -1 3 239.227 0.233 20 0 BCADHM C[C@@H]1CC[C@H](CO)N1C(=O)c1cc(=O)[n-]cn1 ZINC000921973373 711950930 /nfs/dbraw/zinc/95/09/30/711950930.db2.gz HSCYGGHMNQIFBB-HTQZYQBOSA-N -1 3 237.259 0.168 20 0 BCADHM Cc1nc(N(C)CC2(C)COC2)cc(=O)[n-]1 ZINC000702953841 712062102 /nfs/dbraw/zinc/06/21/02/712062102.db2.gz JJQONNKONLGIJF-UHFFFAOYSA-N -1 3 223.276 0.963 20 0 BCADHM CC[C@@H](C)C[C@H](N)C(=O)NC1CC(C(=O)[O-])C1 ZINC000703478216 712075980 /nfs/dbraw/zinc/07/59/80/712075980.db2.gz OXRHBASDHOKKRK-WOOKNIGNSA-N -1 3 242.319 0.729 20 0 BCADHM COC[C@@H](O)CNC(=O)c1c(C)cccc1[O-] ZINC000706598408 712150689 /nfs/dbraw/zinc/15/06/89/712150689.db2.gz KQZKBWIBKGVHMS-VIFPVBQESA-N -1 3 239.271 0.438 20 0 BCADHM COC[C@@H](CCNc1cc(=O)[n-]cn1)OC ZINC000710684017 712254391 /nfs/dbraw/zinc/25/43/91/712254391.db2.gz ZISYHBUTAKGNFL-MRVPVSSYSA-N -1 3 227.264 0.646 20 0 BCADHM CC[C@@H](CO)N(C)c1cc(=O)[n-]c(C)n1 ZINC000379068213 712369411 /nfs/dbraw/zinc/36/94/11/712369411.db2.gz XSZUBDLIOXFYAN-QMMMGPOBSA-N -1 3 211.265 0.698 20 0 BCADHM CN(C)CCONC(=O)c1ncccc1[O-] ZINC000379148749 712370542 /nfs/dbraw/zinc/37/05/42/712370542.db2.gz IAYIMXBIXXRMMX-UHFFFAOYSA-N -1 3 225.248 0.010 20 0 BCADHM CC1(C[N-]S(=O)(=O)CC2CCC2)OCCO1 ZINC000716584922 712564473 /nfs/dbraw/zinc/56/44/73/712564473.db2.gz VHDCYQNSFMBVHS-UHFFFAOYSA-N -1 3 249.332 0.469 20 0 BCADHM COc1cccc([O-])c1C(=O)NC1CC(=O)C1 ZINC000716975637 712602652 /nfs/dbraw/zinc/60/26/52/712602652.db2.gz QXOPCPJKOPAGJQ-UHFFFAOYSA-N -1 3 235.239 0.862 20 0 BCADHM O=c1cc(NCC2(CO)CCC2)nc[n-]1 ZINC000717607298 712662553 /nfs/dbraw/zinc/66/25/53/712662553.db2.gz KTTGUFFZRQVIQI-UHFFFAOYSA-N -1 3 209.249 0.757 20 0 BCADHM Cc1nc(NCC2([S@](C)=O)CC2)cc(=O)[n-]1 ZINC000380071600 712684866 /nfs/dbraw/zinc/68/48/66/712684866.db2.gz NFKWWZRAIPGZFB-INIZCTEOSA-N -1 3 241.316 0.814 20 0 BCADHM CCCCNC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000037933149 712788188 /nfs/dbraw/zinc/78/81/88/712788188.db2.gz ONMHEECXUAIZAO-SECBINFHSA-N -1 3 230.308 0.698 20 0 BCADHM C[C@H]1[C@H](Nc2nc(C(=O)[O-])co2)CCN1C ZINC000719475559 712808378 /nfs/dbraw/zinc/80/83/78/712808378.db2.gz RGYKTCPLBYUBJS-NKWVEPMBSA-N -1 3 225.248 0.877 20 0 BCADHM COc1c(C(=O)[N-]c2cnoc2)c(C)nn1C ZINC000602120750 349455010 /nfs/dbraw/zinc/45/50/10/349455010.db2.gz HHWONTSFTLCVJN-UHFFFAOYSA-N -1 3 236.231 0.977 20 0 BCADHM CCC[C@H](O)CNC(=O)c1cccc2nn[n-]c21 ZINC000188443111 346812787 /nfs/dbraw/zinc/81/27/87/346812787.db2.gz OGJHPVHWCADYAF-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM CCC[C@H](O)CNC(=O)c1cccc2[n-]nnc21 ZINC000188443111 346812792 /nfs/dbraw/zinc/81/27/92/346812792.db2.gz OGJHPVHWCADYAF-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM CCC[C@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC000188443111 346812797 /nfs/dbraw/zinc/81/27/97/346812797.db2.gz OGJHPVHWCADYAF-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)CCO)n1 ZINC000649870223 398156325 /nfs/dbraw/zinc/15/63/25/398156325.db2.gz XTGPICQZHZBFQH-SECBINFHSA-N -1 3 239.319 0.947 20 0 BCADHM Cc1cc(C[N-]S(=O)(=O)CCCF)on1 ZINC000175542033 178029988 /nfs/dbraw/zinc/02/99/88/178029988.db2.gz OVEOZRKAKCDHNB-UHFFFAOYSA-N -1 3 236.268 0.762 20 0 BCADHM CN(CCN1CCCCC1)Cc1n[nH]c(=O)[n-]1 ZINC000649889424 398165657 /nfs/dbraw/zinc/16/56/57/398165657.db2.gz XZFXKXBCEOZORY-UHFFFAOYSA-N -1 3 239.323 0.428 20 0 BCADHM C[C@@H](Cn1cncn1)Nc1ccncc1C(=O)[O-] ZINC000649387491 398193791 /nfs/dbraw/zinc/19/37/91/398193791.db2.gz KDTRPTAPNWITDW-QMMMGPOBSA-N -1 3 247.258 0.294 20 0 BCADHM Cc1cc([N-]C(=O)[C@H](C)S(C)(=O)=O)on1 ZINC000357410564 178146988 /nfs/dbraw/zinc/14/69/88/178146988.db2.gz RNAYJXJMUVVFTO-LURJTMIESA-N -1 3 232.261 0.355 20 0 BCADHM CCC(CC)CC(=O)Nc1[n-]nnc1C(N)=O ZINC000331357936 168346186 /nfs/dbraw/zinc/34/61/86/168346186.db2.gz UNMRPUYVSOFIIX-UHFFFAOYSA-N -1 3 239.279 0.668 20 0 BCADHM CCC(CC)CC(=O)Nc1nn[n-]c1C(N)=O ZINC000331357936 168346189 /nfs/dbraw/zinc/34/61/89/168346189.db2.gz UNMRPUYVSOFIIX-UHFFFAOYSA-N -1 3 239.279 0.668 20 0 BCADHM CCC(CC)CC(=O)Nc1n[n-]nc1C(N)=O ZINC000331357936 168346191 /nfs/dbraw/zinc/34/61/91/168346191.db2.gz UNMRPUYVSOFIIX-UHFFFAOYSA-N -1 3 239.279 0.668 20 0 BCADHM NC(=O)C[C@@H]1CCCN(Cc2ncccc2[O-])C1 ZINC000576432492 365594391 /nfs/dbraw/zinc/59/43/91/365594391.db2.gz IQDMZZXPFBCCKP-JTQLQIEISA-N -1 3 249.314 0.875 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000366395028 178203843 /nfs/dbraw/zinc/20/38/43/178203843.db2.gz FZLFYCIRCGLRTL-ZNSHCXBVSA-N -1 3 249.314 0.722 20 0 BCADHM CN(CC1CC1)S(=O)(=O)[N-]CC(F)F ZINC000342316555 136222904 /nfs/dbraw/zinc/22/29/04/136222904.db2.gz SSAZJIDDTSAYFL-UHFFFAOYSA-N -1 3 228.264 0.428 20 0 BCADHM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@H](C)N(C)C ZINC000649461980 398262969 /nfs/dbraw/zinc/26/29/69/398262969.db2.gz VTOPZFHOHHDTPN-DTWKUNHWSA-N -1 3 230.308 0.410 20 0 BCADHM Cc1ccc(C(=O)N2CCNC(=O)CC2)c([O-])c1 ZINC000059894595 178391749 /nfs/dbraw/zinc/39/17/49/178391749.db2.gz QPEHSZACAPNWKX-UHFFFAOYSA-N -1 3 248.282 0.663 20 0 BCADHM CC(C)[N-]S(=O)(=O)c1cscn1 ZINC000335436856 136235121 /nfs/dbraw/zinc/23/51/21/136235121.db2.gz DQEQTFYIVOAQQG-UHFFFAOYSA-N -1 3 206.292 0.830 20 0 BCADHM CCC(C)(C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335436845 136235137 /nfs/dbraw/zinc/23/51/37/136235137.db2.gz DMBGLQXEKVXXIR-UHFFFAOYSA-N -1 3 231.321 0.887 20 0 BCADHM COC[C@@H](C)S(=O)(=O)[N-]Cc1ccno1 ZINC000351928026 536563251 /nfs/dbraw/zinc/56/32/51/536563251.db2.gz SKFLXSPENSFBGN-SSDOTTSWSA-N -1 3 234.277 0.129 20 0 BCADHM CC[C@H](O)CCNC(=O)Cc1cncc([O-])c1 ZINC000583332263 342735429 /nfs/dbraw/zinc/73/54/29/342735429.db2.gz AUCHTRXRIDZADP-JTQLQIEISA-N -1 3 238.287 0.607 20 0 BCADHM CC(C)[C@@H](N)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000040483200 538971876 /nfs/dbraw/zinc/97/18/76/538971876.db2.gz QRTFWMLZUXZSAE-SNVBAGLBSA-N -1 3 228.292 0.293 20 0 BCADHM O=C(NC[C@H]1C[C@@H](O)C1)c1c([O-])cccc1O ZINC000630025697 361905435 /nfs/dbraw/zinc/90/54/35/361905435.db2.gz FZPFGYIZMDKARO-OCAPTIKFSA-N -1 3 237.255 0.599 20 0 BCADHM O=C(CCN1CCCC1=O)Nc1ncccc1[O-] ZINC000069368993 342838367 /nfs/dbraw/zinc/83/83/67/342838367.db2.gz ZVHXIKSLZCAXDI-UHFFFAOYSA-N -1 3 249.270 0.738 20 0 BCADHM O=C(NCC1CCOCC1)c1cc(=O)[n-]cn1 ZINC000624980120 342840389 /nfs/dbraw/zinc/84/03/89/342840389.db2.gz WMHREZBEPIQXTF-UHFFFAOYSA-N -1 3 237.259 0.339 20 0 BCADHM CC[C@H](CN1CCCC1)NC(=O)C(=O)[O-] ZINC000389573631 539016800 /nfs/dbraw/zinc/01/68/00/539016800.db2.gz BZMVEIOBYCZQPR-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM Cc1cccc(C(=O)NCc2cn(C)nn2)c1[O-] ZINC000389901255 539018561 /nfs/dbraw/zinc/01/85/61/539018561.db2.gz DERCVXHTRKPTMX-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM Cc1cc(C(=O)NCc2cn(C)nn2)ccc1[O-] ZINC000389955809 539018757 /nfs/dbraw/zinc/01/87/57/539018757.db2.gz UJKNQUPEHMSMIP-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CC(C)(C(=O)[O-])N1CCN(CC2CC2)CC1 ZINC000042491556 362003461 /nfs/dbraw/zinc/00/34/61/362003461.db2.gz ZRRYJCWYCIEDRI-UHFFFAOYSA-N -1 3 226.320 0.877 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000625046252 342845892 /nfs/dbraw/zinc/84/58/92/342845892.db2.gz GZXSJTDDHLPWOP-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM C[C@H](CCO)N(C)C(=O)c1cc(=O)[n-]cn1 ZINC000628009691 342869462 /nfs/dbraw/zinc/86/94/62/342869462.db2.gz WNEIORKZHHGMGX-SSDOTTSWSA-N -1 3 225.248 0.025 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CCNC(=O)[C@H]1C ZINC000625150756 342895034 /nfs/dbraw/zinc/89/50/34/342895034.db2.gz IKPDPWOJCDPDII-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC[C@@H](C)O)c1 ZINC000035108376 342882168 /nfs/dbraw/zinc/88/21/68/342882168.db2.gz WLWRBIDVMJRQNY-MRVPVSSYSA-N -1 3 209.245 0.811 20 0 BCADHM C=CC(=O)NCCC(=O)Nc1ncccc1[O-] ZINC000180997595 398312611 /nfs/dbraw/zinc/31/26/11/398312611.db2.gz IIMRAHPNKBQIFR-UHFFFAOYSA-N -1 3 235.243 0.418 20 0 BCADHM CC1(C)CCCN[C@H]1C(=O)NCCCC(=O)[O-] ZINC000232931626 342891955 /nfs/dbraw/zinc/89/19/55/342891955.db2.gz CBAFXRAOKHJVAV-JTQLQIEISA-N -1 3 242.319 0.746 20 0 BCADHM CC(C)(C)CC[C@@H](NC(=O)[C@@H]1C[C@@H]1N)C(=O)[O-] ZINC000584004990 342900338 /nfs/dbraw/zinc/90/03/38/342900338.db2.gz DSMCHZGBUPDPII-HRDYMLBCSA-N -1 3 242.319 0.729 20 0 BCADHM O=C(N[C@@H](CO)C1CCC1)c1cc(=O)[n-]cn1 ZINC000628045797 342901728 /nfs/dbraw/zinc/90/17/28/342901728.db2.gz NQTYPAMZJXXCEM-VIFPVBQESA-N -1 3 237.259 0.073 20 0 BCADHM C[C@@H]1CCc2[n-]n(CCN(C)C)c(=O)c21 ZINC000634590035 342937132 /nfs/dbraw/zinc/93/71/32/342937132.db2.gz OMVWYKYQUWBBNI-SCZZXKLOSA-N -1 3 209.293 0.792 20 0 BCADHM CN(C)CCn1[n-]c(C2(C)CC2)cc1=O ZINC000634589880 342937245 /nfs/dbraw/zinc/93/72/45/342937245.db2.gz KOCGKZOFMAYMEX-UHFFFAOYSA-N -1 3 209.293 0.936 20 0 BCADHM CN(C)CCn1[n-]c([C@H]2CCOC2)cc1=O ZINC000634590430 342937688 /nfs/dbraw/zinc/93/76/88/342937688.db2.gz ZRHKITDLGVSEOJ-VIFPVBQESA-N -1 3 225.292 0.173 20 0 BCADHM C[C@@H]1CCc2c(=O)n(-c3nc[nH]n3)[n-]c21 ZINC000634608106 343003745 /nfs/dbraw/zinc/00/37/45/343003745.db2.gz RJACNEQDGOJVCT-PHDIDXHHSA-N -1 3 205.221 0.553 20 0 BCADHM C[C@@H]1CCCN(C(=O)CNC2CC2)[C@H]1C(=O)[O-] ZINC000235307384 343009764 /nfs/dbraw/zinc/00/97/64/343009764.db2.gz BUMYECMOUAEVLA-LDYMZIIASA-N -1 3 240.303 0.450 20 0 BCADHM CC[C@H](O)Cn1ncc2cc([O-])ccc2c1=O ZINC000634627471 343033113 /nfs/dbraw/zinc/03/31/13/343033113.db2.gz DACMCMIUTJBDFG-VIFPVBQESA-N -1 3 234.255 0.873 20 0 BCADHM COCC(COC)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634635229 343047788 /nfs/dbraw/zinc/04/77/88/343047788.db2.gz ZTLUNJOHDQUCHL-LDYMZIIASA-N -1 3 240.303 0.892 20 0 BCADHM CC[C@](C)(CNC(=O)c1c[n-]nn1)OC ZINC000323108272 259347362 /nfs/dbraw/zinc/34/73/62/259347362.db2.gz DWESACMKRHAQIL-SECBINFHSA-N -1 3 212.253 0.350 20 0 BCADHM CC[C@](C)(CNC(=O)c1cnn[n-]1)OC ZINC000323108272 259347364 /nfs/dbraw/zinc/34/73/64/259347364.db2.gz DWESACMKRHAQIL-SECBINFHSA-N -1 3 212.253 0.350 20 0 BCADHM CC[C@](C)(CNC(=O)c1cn[n-]n1)OC ZINC000323108272 259347365 /nfs/dbraw/zinc/34/73/65/259347365.db2.gz DWESACMKRHAQIL-SECBINFHSA-N -1 3 212.253 0.350 20 0 BCADHM O=C([O-])c1cnccc1NC[C@@H](O)C1CC1 ZINC000236556113 343102388 /nfs/dbraw/zinc/10/23/88/343102388.db2.gz MYELGKGIRGPSHQ-SNVBAGLBSA-N -1 3 222.244 0.963 20 0 BCADHM CO[N-]C(=O)Cc1ccc(OC)c(OC)c1 ZINC000025822995 343096138 /nfs/dbraw/zinc/09/61/38/343096138.db2.gz LPRBOYHTLVUJDV-UHFFFAOYSA-N -1 3 225.244 0.924 20 0 BCADHM O=C([O-])CN(C[C@H](O)C(F)(F)F)C1CC1 ZINC000082681316 362100031 /nfs/dbraw/zinc/10/00/31/362100031.db2.gz CSCBKBDIMAQKGC-LURJTMIESA-N -1 3 227.182 0.459 20 0 BCADHM O=C([O-])c1cnccc1N1CCn2ccnc2C1 ZINC000126170327 343168944 /nfs/dbraw/zinc/16/89/44/343168944.db2.gz CBLDBVGFSINKTR-UHFFFAOYSA-N -1 3 244.254 0.997 20 0 BCADHM Cc1cc(NC(=O)c2cnn[n-]2)ccn1 ZINC000088330301 259355280 /nfs/dbraw/zinc/35/52/80/259355280.db2.gz QLJRZKAAOGHVKJ-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1cc(NC(=O)c2c[n-]nn2)ccn1 ZINC000088330301 259355281 /nfs/dbraw/zinc/35/52/81/259355281.db2.gz QLJRZKAAOGHVKJ-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1cc(NC(=O)c2cn[n-]n2)ccn1 ZINC000088330301 259355283 /nfs/dbraw/zinc/35/52/83/259355283.db2.gz QLJRZKAAOGHVKJ-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM CN1CCC[C@H](NC(=O)c2cc(=O)[n-]cn2)C1 ZINC000625297336 343225348 /nfs/dbraw/zinc/22/53/48/343225348.db2.gz LFDGLCXIAALRGV-QMMMGPOBSA-N -1 3 236.275 0.006 20 0 BCADHM CC[C@H](C)C(=O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000087536595 136281647 /nfs/dbraw/zinc/28/16/47/136281647.db2.gz XQFBGZKARJLASO-LURJTMIESA-N -1 3 244.678 0.805 20 0 BCADHM O=S(=O)([N-]CC1(O)CCC1)c1ccccn1 ZINC000340083646 136286034 /nfs/dbraw/zinc/28/60/34/136286034.db2.gz VZSCHOPZLBVJIV-UHFFFAOYSA-N -1 3 242.300 0.275 20 0 BCADHM CN(C)C(=O)C1(NC(=O)c2cccc([O-])c2)CC1 ZINC000622703115 343320210 /nfs/dbraw/zinc/32/02/10/343320210.db2.gz QCTONWMQINRJTH-UHFFFAOYSA-N -1 3 248.282 0.743 20 0 BCADHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069949014 343294840 /nfs/dbraw/zinc/29/48/40/343294840.db2.gz BULLKCQAOPGSRT-SFYZADRCSA-N -1 3 229.305 0.877 20 0 BCADHM O=C(NCc1ncccc1[O-])NCC1CC1 ZINC000349352505 136342930 /nfs/dbraw/zinc/34/29/30/136342930.db2.gz HSVSKVPYHIYXNM-UHFFFAOYSA-N -1 3 221.260 0.996 20 0 BCADHM CCN(CC(C)C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000042720988 343449291 /nfs/dbraw/zinc/44/92/91/343449291.db2.gz WKXIAOSLUXFXID-QMMMGPOBSA-N -1 3 241.291 0.089 20 0 BCADHM CN1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000329912979 136359653 /nfs/dbraw/zinc/35/96/53/136359653.db2.gz OMDYULKERSNKOW-UHFFFAOYSA-N -1 3 227.289 0.236 20 0 BCADHM C[C@H]1CCC[C@H]1CNC(=O)c1c[n-]nn1 ZINC000230709677 343520176 /nfs/dbraw/zinc/52/01/76/343520176.db2.gz ODBFHBDMKSLHEH-YUMQZZPRSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@H]1CCC[C@H]1CNC(=O)c1cnn[n-]1 ZINC000230709677 343520178 /nfs/dbraw/zinc/52/01/78/343520178.db2.gz ODBFHBDMKSLHEH-YUMQZZPRSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@H]1CCC[C@H]1CNC(=O)c1cn[n-]n1 ZINC000230709677 343520180 /nfs/dbraw/zinc/52/01/80/343520180.db2.gz ODBFHBDMKSLHEH-YUMQZZPRSA-N -1 3 208.265 0.971 20 0 BCADHM CCCCCNC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000046464175 343545890 /nfs/dbraw/zinc/54/58/90/343545890.db2.gz JJCFWPRCABDPTJ-MRVPVSSYSA-N -1 3 241.291 0.281 20 0 BCADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)C2COC2)o1 ZINC000330219572 537785841 /nfs/dbraw/zinc/78/58/41/537785841.db2.gz PPAAQDYUIACLIN-ZETCQYMHSA-N -1 3 246.288 0.362 20 0 BCADHM COCC1(CN2CCOC[C@@H]2C(=O)[O-])CCC1 ZINC000379984058 365779929 /nfs/dbraw/zinc/77/99/29/365779929.db2.gz QGDXZJZRJWQINC-SNVBAGLBSA-N -1 3 243.303 0.589 20 0 BCADHM CN(CCO)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000049633701 343604773 /nfs/dbraw/zinc/60/47/73/343604773.db2.gz IWNDACMGIJLUEY-UHFFFAOYSA-N -1 3 249.266 0.923 20 0 BCADHM CCOCCN1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000634694670 343621628 /nfs/dbraw/zinc/62/16/28/343621628.db2.gz JQTSEWIJCIPJPF-KOLCDFICSA-N -1 3 231.292 0.587 20 0 BCADHM CCC[C@H](O)CN1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000634694993 343622484 /nfs/dbraw/zinc/62/24/84/343622484.db2.gz NXFMLPIHVGOKOQ-UMNHJUIQSA-N -1 3 245.319 0.711 20 0 BCADHM Cc1cc(NC(=O)c2nc[n-]n2)ccn1 ZINC000087445228 343649950 /nfs/dbraw/zinc/64/99/50/343649950.db2.gz ZUMLJEVHHRQCGV-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM CCO[C@@H](CC)C(=O)[N-]c1nncn1C ZINC000153920118 343706222 /nfs/dbraw/zinc/70/62/22/343706222.db2.gz IZAPZTCXQIMCNZ-ZETCQYMHSA-N -1 3 212.253 0.569 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC(C)(F)F ZINC000584149656 343765760 /nfs/dbraw/zinc/76/57/60/343765760.db2.gz IXILIISDIJPJPN-SSDOTTSWSA-N -1 3 247.245 0.660 20 0 BCADHM CN(CCC(N)=O)C(=O)/C=C\c1cncc([O-])c1 ZINC000492902470 529874719 /nfs/dbraw/zinc/87/47/19/529874719.db2.gz YCSCGMIBYGYRIB-IHWYPQMZSA-N -1 3 249.270 0.134 20 0 BCADHM O=C(N[C@@H]1CCCC[C@H]1O)c1cc(=O)[n-]cn1 ZINC000626199971 346986411 /nfs/dbraw/zinc/98/64/11/346986411.db2.gz YCCGGWCYYITPSE-VXNVDRBHSA-N -1 3 237.259 0.216 20 0 BCADHM CN(CCCO)C(=O)/C=C/c1cncc([O-])c1 ZINC000493053640 529892073 /nfs/dbraw/zinc/89/20/73/529892073.db2.gz HWGMLVTYIMPECI-ONEGZZNKSA-N -1 3 236.271 0.641 20 0 BCADHM CN(CCO)C(=O)/C=C/c1cncc([O-])c1 ZINC000492473929 529918414 /nfs/dbraw/zinc/91/84/14/529918414.db2.gz NINJAVSSRLNVCG-NSCUHMNNSA-N -1 3 222.244 0.251 20 0 BCADHM CCCCCS(=O)(=O)[N-][C@@H]1COCCC1=O ZINC000625492763 343885527 /nfs/dbraw/zinc/88/55/27/343885527.db2.gz NEFOZHUTLJGTIT-SECBINFHSA-N -1 3 249.332 0.454 20 0 BCADHM C[C@]12COC[C@H]1CN(C(=O)c1cc(=O)[n-]cn1)C2 ZINC000628097091 343937506 /nfs/dbraw/zinc/93/75/06/343937506.db2.gz LWWCXVDYIWWZSX-PELKAZGASA-N -1 3 249.270 0.291 20 0 BCADHM Cc1nc([N-]C(=O)c2ocnc2C)n[nH]1 ZINC000093295162 343972520 /nfs/dbraw/zinc/97/25/20/343972520.db2.gz QESJDRAEAUDUMM-UHFFFAOYSA-N -1 3 207.193 0.662 20 0 BCADHM C[C@@H](CNC(=O)c1cc(=O)[n-]cn1)C[C@H](C)O ZINC000625762765 344064192 /nfs/dbraw/zinc/06/41/92/344064192.db2.gz FRZSJOZWMQOTEY-SFYZADRCSA-N -1 3 239.275 0.319 20 0 BCADHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)c1cnn(C)c1 ZINC000625778592 344072324 /nfs/dbraw/zinc/07/23/24/344072324.db2.gz CDBFUVSHGCACAZ-ZETCQYMHSA-N -1 3 247.258 0.407 20 0 BCADHM CCC(O)(CC)CNC(=O)c1cc(=O)[n-]cn1 ZINC000625849027 344116817 /nfs/dbraw/zinc/11/68/17/344116817.db2.gz WTIOWYVANPKISN-UHFFFAOYSA-N -1 3 239.275 0.463 20 0 BCADHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)[C@H]1CCOC1 ZINC000625813720 344081632 /nfs/dbraw/zinc/08/16/32/344081632.db2.gz BJEHGMWSKZJKQE-SFYZADRCSA-N -1 3 237.259 0.337 20 0 BCADHM CC(C)c1noc([C@@H](C)[N-]S(C)(=O)=O)n1 ZINC000130355491 344134535 /nfs/dbraw/zinc/13/45/35/344134535.db2.gz HEKZJOJSSQBGCF-ZCFIWIBFSA-N -1 3 233.293 0.803 20 0 BCADHM CCC[N-]S(=O)(=O)c1ccccn1 ZINC000130506880 344221506 /nfs/dbraw/zinc/22/15/06/344221506.db2.gz GIDFXUQGTOLOAZ-UHFFFAOYSA-N -1 3 200.263 0.770 20 0 BCADHM COCCCC[N-]S(=O)(=O)c1ccccn1 ZINC000130784818 344194316 /nfs/dbraw/zinc/19/43/16/344194316.db2.gz QRZSDZDXXFGMPY-UHFFFAOYSA-N -1 3 244.316 0.787 20 0 BCADHM CSCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000588875825 344196741 /nfs/dbraw/zinc/19/67/41/344196741.db2.gz HRQDTBCYQOFGEU-UHFFFAOYSA-N -1 3 229.305 0.122 20 0 BCADHM CN(C(=O)c1cn(C)c(=O)[n-]c1=O)C1CCC1 ZINC000408228947 344265283 /nfs/dbraw/zinc/26/52/83/344265283.db2.gz LFBFVYOKGLGPKW-UHFFFAOYSA-N -1 3 237.259 0.110 20 0 BCADHM O=C(N[C@H]1CCSC1)c1cc(=O)[n-]cn1 ZINC000625872423 344266779 /nfs/dbraw/zinc/26/67/79/344266779.db2.gz ZYFFSCJBPXINTN-LURJTMIESA-N -1 3 225.273 0.418 20 0 BCADHM CCN1CCC[C@H]1CN(C)C(=O)CCC(=O)[O-] ZINC000092624654 344299809 /nfs/dbraw/zinc/29/98/09/344299809.db2.gz IXNJUFAPAAVOBH-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM CCOC(=O)c1cc(-c2cn(C)cn2)n[n-]1 ZINC000600946664 344400501 /nfs/dbraw/zinc/40/05/01/344400501.db2.gz QTWWQYKIBWFZNT-UHFFFAOYSA-N -1 3 220.232 0.987 20 0 BCADHM CCOC(=O)c1cc(-c2cn(C)cn2)[n-]n1 ZINC000600946664 344400502 /nfs/dbraw/zinc/40/05/02/344400502.db2.gz QTWWQYKIBWFZNT-UHFFFAOYSA-N -1 3 220.232 0.987 20 0 BCADHM CC[C@H](SC)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000590379866 347052970 /nfs/dbraw/zinc/05/29/70/347052970.db2.gz SKOARLJDHHIHKW-YFKPBYRVSA-N -1 3 240.292 0.533 20 0 BCADHM CC(C)[C@@](C)(O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000625930315 344571463 /nfs/dbraw/zinc/57/14/63/344571463.db2.gz NJSFYAYELCYNRW-NSHDSACASA-N -1 3 239.275 0.319 20 0 BCADHM CC[C@H](O)CCCNC(=O)c1cc(=O)[n-]cn1 ZINC000625936219 344572680 /nfs/dbraw/zinc/57/26/80/344572680.db2.gz DQCHHQLAMQEGLD-QMMMGPOBSA-N -1 3 239.275 0.463 20 0 BCADHM CO[C@@H](CNC(=O)c1cc(=O)[n-]cn1)C(C)C ZINC000625949021 344583159 /nfs/dbraw/zinc/58/31/59/344583159.db2.gz KZIVUFWBWTWBEE-VIFPVBQESA-N -1 3 239.275 0.583 20 0 BCADHM C[C@@H]1C[C@@H]1CN1CCO[C@H](CC(=O)[O-])C1 ZINC000625969581 344628912 /nfs/dbraw/zinc/62/89/12/344628912.db2.gz KRUFDMASMDDEEP-OPRDCNLKSA-N -1 3 213.277 0.818 20 0 BCADHM C[C@@H](SCCc1nnn[n-]1)c1nncn1C ZINC000603339846 349916575 /nfs/dbraw/zinc/91/65/75/349916575.db2.gz HKRPJIOAOUJSLQ-ZCFIWIBFSA-N -1 3 239.308 0.365 20 0 BCADHM C[C@@H](SCCc1nn[n-]n1)c1nncn1C ZINC000603339846 349916577 /nfs/dbraw/zinc/91/65/77/349916577.db2.gz HKRPJIOAOUJSLQ-ZCFIWIBFSA-N -1 3 239.308 0.365 20 0 BCADHM CCn1ncnc1CSCCc1nnn[n-]1 ZINC000603340582 349917937 /nfs/dbraw/zinc/91/79/37/349917937.db2.gz KCEIGYXSCQVRFY-UHFFFAOYSA-N -1 3 239.308 0.287 20 0 BCADHM CCn1ncnc1CSCCc1nn[n-]n1 ZINC000603340582 349917940 /nfs/dbraw/zinc/91/79/40/349917940.db2.gz KCEIGYXSCQVRFY-UHFFFAOYSA-N -1 3 239.308 0.287 20 0 BCADHM c1cnn(CSCCc2nnn[n-]2)c1 ZINC000603341201 349919387 /nfs/dbraw/zinc/91/93/87/349919387.db2.gz LYKWQDCWWIVZKO-UHFFFAOYSA-N -1 3 210.266 0.330 20 0 BCADHM c1cnn(CSCCc2nn[n-]n2)c1 ZINC000603341201 349919389 /nfs/dbraw/zinc/91/93/89/349919389.db2.gz LYKWQDCWWIVZKO-UHFFFAOYSA-N -1 3 210.266 0.330 20 0 BCADHM O=C(NN=c1cccn[n-]1)C1=COCCC1 ZINC000077034634 344813190 /nfs/dbraw/zinc/81/31/90/344813190.db2.gz OAGABRQYCNCHIQ-UHFFFAOYSA-N -1 3 220.232 0.614 20 0 BCADHM COC[C@@H](CSCCc1nnn[n-]1)OC ZINC000603341466 349918990 /nfs/dbraw/zinc/91/89/90/349918990.db2.gz DBNXKKPKASFCGA-ZETCQYMHSA-N -1 3 232.309 0.137 20 0 BCADHM COC[C@@H](CSCCc1nn[n-]n1)OC ZINC000603341466 349918995 /nfs/dbraw/zinc/91/89/95/349918995.db2.gz DBNXKKPKASFCGA-ZETCQYMHSA-N -1 3 232.309 0.137 20 0 BCADHM Cn1cc([N-]S(=O)(=O)N2CCCC2)cn1 ZINC000078236805 344835440 /nfs/dbraw/zinc/83/54/40/344835440.db2.gz VJFHWVVGSRXIBJ-UHFFFAOYSA-N -1 3 230.293 0.173 20 0 BCADHM C[C@H](N(C)CC(=O)Nc1nnn[n-]1)C(C)(C)C ZINC000583367850 344836793 /nfs/dbraw/zinc/83/67/93/344836793.db2.gz KUEZVFPOZLVNDX-ZETCQYMHSA-N -1 3 240.311 0.505 20 0 BCADHM C[C@H](N(C)CC(=O)Nc1nn[n-]n1)C(C)(C)C ZINC000583367850 344836796 /nfs/dbraw/zinc/83/67/96/344836796.db2.gz KUEZVFPOZLVNDX-ZETCQYMHSA-N -1 3 240.311 0.505 20 0 BCADHM Cc1cccc(C(=O)N[C@H](CO)[C@@H](C)O)c1[O-] ZINC000387557267 344839920 /nfs/dbraw/zinc/83/99/20/344839920.db2.gz WKDSGSKSWKGCLD-PSASIEDQSA-N -1 3 239.271 0.172 20 0 BCADHM Cc1nocc1CSCCc1nnn[n-]1 ZINC000603342270 349920162 /nfs/dbraw/zinc/92/01/62/349920162.db2.gz WWUVGYJNBQOSIP-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM Cc1nocc1CSCCc1nn[n-]n1 ZINC000603342270 349920163 /nfs/dbraw/zinc/92/01/63/349920163.db2.gz WWUVGYJNBQOSIP-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM Cc1ccc([O-])c(C(=O)N(C)CCO)c1 ZINC000037854036 178784011 /nfs/dbraw/zinc/78/40/11/178784011.db2.gz KHSITUFGRWLFSO-UHFFFAOYSA-N -1 3 209.245 0.765 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1 ZINC000641567195 362506321 /nfs/dbraw/zinc/50/63/21/362506321.db2.gz JFHGGUQNPFMQFZ-ZANVPECISA-N -1 3 233.267 0.907 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H](C)O)o1 ZINC000330637992 178825373 /nfs/dbraw/zinc/82/53/73/178825373.db2.gz APKLTZRXUOKZOD-SSDOTTSWSA-N -1 3 233.289 0.637 20 0 BCADHM O=C([O-])[C@@H](C1CC1)N1CCN(CC(F)F)CC1 ZINC000635015101 345220122 /nfs/dbraw/zinc/22/01/22/345220122.db2.gz CGDOEHYQPGGBOT-SNVBAGLBSA-N -1 3 248.273 0.732 20 0 BCADHM Cn1[n-]c(CN2CCCC3(CC3)CC2)nc1=O ZINC000626114650 345318487 /nfs/dbraw/zinc/31/84/87/345318487.db2.gz OALVGARSFCMUEW-UHFFFAOYSA-N -1 3 236.319 0.875 20 0 BCADHM C[C@]1(C(=O)Nc2ccccc2[O-])CCNC1=O ZINC000635400435 345346937 /nfs/dbraw/zinc/34/69/37/345346937.db2.gz FKHQGNNVLXXDIK-LBPRGKRZSA-N -1 3 234.255 0.857 20 0 BCADHM CN1CCC[C@H](SCCc2nnn[n-]2)C1=O ZINC000603337266 349928451 /nfs/dbraw/zinc/92/84/51/349928451.db2.gz DNBLPRFLDBSFHQ-ZETCQYMHSA-N -1 3 241.320 0.096 20 0 BCADHM CN1CCC[C@H](SCCc2nn[n-]n2)C1=O ZINC000603337266 349928453 /nfs/dbraw/zinc/92/84/53/349928453.db2.gz DNBLPRFLDBSFHQ-ZETCQYMHSA-N -1 3 241.320 0.096 20 0 BCADHM CCN(CC)C(=O)CSCCc1nnn[n-]1 ZINC000603337572 349927784 /nfs/dbraw/zinc/92/77/84/349927784.db2.gz LHMAFFZEUNAAOO-UHFFFAOYSA-N -1 3 243.336 0.344 20 0 BCADHM CCN(CC)C(=O)CSCCc1nn[n-]n1 ZINC000603337572 349927786 /nfs/dbraw/zinc/92/77/86/349927786.db2.gz LHMAFFZEUNAAOO-UHFFFAOYSA-N -1 3 243.336 0.344 20 0 BCADHM C(Cc1nnn[n-]1)SC[C@H]1CCCOC1 ZINC000603337248 349927895 /nfs/dbraw/zinc/92/78/95/349927895.db2.gz DFQNTOFBTKIJLM-QMMMGPOBSA-N -1 3 228.321 0.902 20 0 BCADHM C(Cc1nn[n-]n1)SC[C@H]1CCCOC1 ZINC000603337248 349927898 /nfs/dbraw/zinc/92/78/98/349927898.db2.gz DFQNTOFBTKIJLM-QMMMGPOBSA-N -1 3 228.321 0.902 20 0 BCADHM CC(=O)CCCSCCc1nnn[n-]1 ZINC000603337443 349928175 /nfs/dbraw/zinc/92/81/75/349928175.db2.gz HXBAHBMNZWYWEK-UHFFFAOYSA-N -1 3 214.294 0.845 20 0 BCADHM CC(=O)CCCSCCc1nn[n-]n1 ZINC000603337443 349928181 /nfs/dbraw/zinc/92/81/81/349928181.db2.gz HXBAHBMNZWYWEK-UHFFFAOYSA-N -1 3 214.294 0.845 20 0 BCADHM CCCC[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000080709666 345446628 /nfs/dbraw/zinc/44/66/28/345446628.db2.gz PRGCASRLSAJWED-UHFFFAOYSA-N -1 3 231.321 0.981 20 0 BCADHM CN(C)C(=O)CCCSCCc1nnn[n-]1 ZINC000603339015 349929477 /nfs/dbraw/zinc/92/94/77/349929477.db2.gz AXMBYXMWYLAXDB-UHFFFAOYSA-N -1 3 243.336 0.344 20 0 BCADHM CN(C)C(=O)CCCSCCc1nn[n-]n1 ZINC000603339015 349929478 /nfs/dbraw/zinc/92/94/78/349929478.db2.gz AXMBYXMWYLAXDB-UHFFFAOYSA-N -1 3 243.336 0.344 20 0 BCADHM CN(C[C@@H](O)C1CC1)C(=O)c1csc(=O)[n-]1 ZINC000684289040 488286949 /nfs/dbraw/zinc/28/69/49/488286949.db2.gz XKNCBTLQMVWJIX-MRVPVSSYSA-N -1 3 242.300 0.692 20 0 BCADHM CCc1cccc(C(=O)NCC(=O)NC)c1[O-] ZINC000081936889 345504411 /nfs/dbraw/zinc/50/44/11/345504411.db2.gz HNQXAQZNQFVTMO-UHFFFAOYSA-N -1 3 236.271 0.430 20 0 BCADHM C[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091543231 345597107 /nfs/dbraw/zinc/59/71/07/345597107.db2.gz ITERJUICDSXYLZ-QMMMGPOBSA-N -1 3 210.281 0.720 20 0 BCADHM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)C(C)C ZINC000091542829 345597745 /nfs/dbraw/zinc/59/77/45/345597745.db2.gz RGQJJFMSIDJVCA-MRVPVSSYSA-N -1 3 212.297 0.964 20 0 BCADHM C[C@H]1CC[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC000091588134 345599092 /nfs/dbraw/zinc/59/90/92/345599092.db2.gz VBIGHTBMCHRATR-YUMQZZPRSA-N -1 3 210.281 0.718 20 0 BCADHM C[C@@H]1[C@@H](C)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000091581440 345599228 /nfs/dbraw/zinc/59/92/28/345599228.db2.gz APVVOUCXBDNMGM-JGVFFNPUSA-N -1 3 210.281 0.718 20 0 BCADHM CCc1nsc([N-][C@@H](COC)C(N)=O)n1 ZINC000092689284 345636053 /nfs/dbraw/zinc/63/60/53/345636053.db2.gz IPAYDXKGNSOBHT-YFKPBYRVSA-N -1 3 230.293 0.013 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1cnn(C)c1)C(F)F ZINC000641700879 362611013 /nfs/dbraw/zinc/61/10/13/362611013.db2.gz BXRHEZRXLVBMIW-YFKPBYRVSA-N -1 3 239.247 0.352 20 0 BCADHM COCCCCS(=O)(=O)[N-][C@H](C)C(F)F ZINC000641701094 362611583 /nfs/dbraw/zinc/61/15/83/362611583.db2.gz CTVPRXDVPOWJDY-SSDOTTSWSA-N -1 3 245.291 0.986 20 0 BCADHM COC[C@@H](C)CS(=O)(=O)[N-][C@H](C)C(F)F ZINC000641701738 362613985 /nfs/dbraw/zinc/61/39/85/362613985.db2.gz JQFVHRWYFGVTAH-RNFRBKRXSA-N -1 3 245.291 0.842 20 0 BCADHM COC[C@@H](C)CS(=O)(=O)[N-][C@@H](C)C(F)F ZINC000641701739 362614552 /nfs/dbraw/zinc/61/45/52/362614552.db2.gz JQFVHRWYFGVTAH-RQJHMYQMSA-N -1 3 245.291 0.842 20 0 BCADHM COCC[C@@H](C)S(=O)(=O)[N-][C@H](C)C(F)F ZINC000641702069 362615648 /nfs/dbraw/zinc/61/56/48/362615648.db2.gz MHNCCNBYZFFCND-RNFRBKRXSA-N -1 3 245.291 0.984 20 0 BCADHM CCC(CC)(CNC(=O)[C@@H](N)C(C)C)C(=O)[O-] ZINC000137671450 345672631 /nfs/dbraw/zinc/67/26/31/345672631.db2.gz WCHYDRSEQXHLGI-VIFPVBQESA-N -1 3 244.335 0.977 20 0 BCADHM CN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000095193466 345682712 /nfs/dbraw/zinc/68/27/12/345682712.db2.gz VKBWICKDEPKSNC-UHFFFAOYSA-N -1 3 245.290 0.014 20 0 BCADHM CN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000095193466 345682716 /nfs/dbraw/zinc/68/27/16/345682716.db2.gz VKBWICKDEPKSNC-UHFFFAOYSA-N -1 3 245.290 0.014 20 0 BCADHM Cc1c[nH]c(=O)n1-c1cccc(-c2nnn[n-]2)c1 ZINC000095210181 345683199 /nfs/dbraw/zinc/68/31/99/345683199.db2.gz OVRVBMDKGNNXDI-UHFFFAOYSA-N -1 3 242.242 0.654 20 0 BCADHM Cc1c[nH]c(=O)n1-c1cccc(-c2nn[n-]n2)c1 ZINC000095210181 345683203 /nfs/dbraw/zinc/68/32/03/345683203.db2.gz OVRVBMDKGNNXDI-UHFFFAOYSA-N -1 3 242.242 0.654 20 0 BCADHM COc1cc(OC)c(-c2nnn[n-]2)cc1OC ZINC000095191115 345683455 /nfs/dbraw/zinc/68/34/55/345683455.db2.gz UAFQHPPRJQETMA-UHFFFAOYSA-N -1 3 236.231 0.893 20 0 BCADHM COc1cc(OC)c(-c2nn[n-]n2)cc1OC ZINC000095191115 345683460 /nfs/dbraw/zinc/68/34/60/345683460.db2.gz UAFQHPPRJQETMA-UHFFFAOYSA-N -1 3 236.231 0.893 20 0 BCADHM Cc1nc(-c2cccc(-c3nnn[n-]3)c2)n[nH]1 ZINC000095214806 345683783 /nfs/dbraw/zinc/68/37/83/345683783.db2.gz YHFCIPSDXBZMLM-UHFFFAOYSA-N -1 3 227.231 0.960 20 0 BCADHM Cc1nc(-c2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC000095214806 345683786 /nfs/dbraw/zinc/68/37/86/345683786.db2.gz YHFCIPSDXBZMLM-UHFFFAOYSA-N -1 3 227.231 0.960 20 0 BCADHM O=C1CCCN1Cc1ccccc1-c1nnn[n-]1 ZINC000095237476 345684103 /nfs/dbraw/zinc/68/41/03/345684103.db2.gz IOGLXTCXSHMIFT-UHFFFAOYSA-N -1 3 243.270 0.989 20 0 BCADHM O=C1CCCN1Cc1ccccc1-c1nn[n-]n1 ZINC000095237476 345684105 /nfs/dbraw/zinc/68/41/05/345684105.db2.gz IOGLXTCXSHMIFT-UHFFFAOYSA-N -1 3 243.270 0.989 20 0 BCADHM CCOC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000142903908 345701597 /nfs/dbraw/zinc/70/15/97/345701597.db2.gz WRERJIVGOVKTFI-UHFFFAOYSA-N -1 3 245.256 0.216 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CC(C)C1 ZINC000531478097 323098222 /nfs/dbraw/zinc/09/82/22/323098222.db2.gz FTGHJMWWYCTYKW-YXGXMSFMSA-N -1 3 237.303 0.661 20 0 BCADHM CC(C)(CCO)NC(=O)c1cc(F)c[n-]c1=O ZINC000635743695 346055180 /nfs/dbraw/zinc/05/51/80/346055180.db2.gz JMVBZINFIRZRJX-UHFFFAOYSA-N -1 3 242.250 0.817 20 0 BCADHM CCC(=O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000635748198 346047073 /nfs/dbraw/zinc/04/70/73/346047073.db2.gz CHYZCQGWNILBFA-UHFFFAOYSA-N -1 3 226.207 0.635 20 0 BCADHM CO[C@H](C)CN1C[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000563282886 323108263 /nfs/dbraw/zinc/10/82/63/323108263.db2.gz KNLAWRIFTJJOMI-IWSPIJDZSA-N -1 3 217.265 0.195 20 0 BCADHM Cc1cccc(C(=O)N2CCNC(=O)[C@H]2C)c1[O-] ZINC000104889947 179009786 /nfs/dbraw/zinc/00/97/86/179009786.db2.gz CITAGURVTRGUKG-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM Cc1cccc(C(=O)N2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000225897029 179011246 /nfs/dbraw/zinc/01/12/46/179011246.db2.gz JRLOGRUQQAFEAB-SECBINFHSA-N -1 3 248.282 0.648 20 0 BCADHM Cc1cccc(C(=O)NC(C)(CO)CO)c1[O-] ZINC000126211735 179014525 /nfs/dbraw/zinc/01/45/25/179014525.db2.gz ZVQMWWPTZUGWSK-UHFFFAOYSA-N -1 3 239.271 0.174 20 0 BCADHM Cc1cccc(CCCNC(=O)c2c[n-]nn2)n1 ZINC000359118943 179055309 /nfs/dbraw/zinc/05/53/09/179055309.db2.gz VHTFMUOWSNYUHW-UHFFFAOYSA-N -1 3 245.286 0.871 20 0 BCADHM Cc1cccc(CCCNC(=O)c2cnn[n-]2)n1 ZINC000359118943 179055311 /nfs/dbraw/zinc/05/53/11/179055311.db2.gz VHTFMUOWSNYUHW-UHFFFAOYSA-N -1 3 245.286 0.871 20 0 BCADHM Cc1cccc(CCCNC(=O)c2cn[n-]n2)n1 ZINC000359118943 179055314 /nfs/dbraw/zinc/05/53/14/179055314.db2.gz VHTFMUOWSNYUHW-UHFFFAOYSA-N -1 3 245.286 0.871 20 0 BCADHM O=c1[n-]c(=O)n(CC(F)F)cc1Cl ZINC000085632979 537971871 /nfs/dbraw/zinc/97/18/71/537971871.db2.gz DLRFIXDBHGJWMX-UHFFFAOYSA-N -1 3 210.567 0.455 20 0 BCADHM CCOCC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636282763 346377398 /nfs/dbraw/zinc/37/73/98/346377398.db2.gz UMUVUCOKHLDUJE-UHFFFAOYSA-N -1 3 237.259 0.369 20 0 BCADHM CO[C@@H]1C[C@H](C(=O)[O-])N(C[C@H](O)C(C)(C)C)C1 ZINC000574922165 346416465 /nfs/dbraw/zinc/41/64/65/346416465.db2.gz GXMVAKNZXAGFMK-BBBLOLIVSA-N -1 3 245.319 0.567 20 0 BCADHM Cn1cc(CC(=O)Nc2ncccc2[O-])cn1 ZINC000171237171 346468808 /nfs/dbraw/zinc/46/88/08/346468808.db2.gz KLACAVIAJAVGTN-UHFFFAOYSA-N -1 3 232.243 0.702 20 0 BCADHM CO[C@H](C)CNC(=O)c1cccc2nn[n-]c21 ZINC000189630646 347100560 /nfs/dbraw/zinc/10/05/60/347100560.db2.gz ZDCGCFBEHVLKQB-SSDOTTSWSA-N -1 3 234.259 0.723 20 0 BCADHM CO[C@H](C)CNC(=O)c1cccc2[n-]nnc21 ZINC000189630646 347100561 /nfs/dbraw/zinc/10/05/61/347100561.db2.gz ZDCGCFBEHVLKQB-SSDOTTSWSA-N -1 3 234.259 0.723 20 0 BCADHM CO[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC000189630646 347100564 /nfs/dbraw/zinc/10/05/64/347100564.db2.gz ZDCGCFBEHVLKQB-SSDOTTSWSA-N -1 3 234.259 0.723 20 0 BCADHM C[C@@H](C[S@](C)=O)N(C)Cc1ncccc1[O-] ZINC000589174681 346672650 /nfs/dbraw/zinc/67/26/50/346672650.db2.gz NTKHMEGADUJDAO-FVMDXXJSSA-N -1 3 242.344 0.986 20 0 BCADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000590064586 346768981 /nfs/dbraw/zinc/76/89/81/346768981.db2.gz FAFDIPJIRSDMFX-MRVPVSSYSA-N -1 3 231.321 0.887 20 0 BCADHM C[C@H](CO)CSCc1n[n-]c(=O)s1 ZINC000308252757 346776798 /nfs/dbraw/zinc/77/67/98/346776798.db2.gz IOROXZXHXNSXHP-RXMQYKEDSA-N -1 3 220.319 0.693 20 0 BCADHM C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC000387835261 347106327 /nfs/dbraw/zinc/10/63/27/347106327.db2.gz ARUFEPFQDKMWDW-GZMMTYOYSA-N -1 3 221.256 0.845 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC(=O)N1 ZINC000272569633 179160359 /nfs/dbraw/zinc/16/03/59/179160359.db2.gz VCINYLCUXSEIOW-QMMMGPOBSA-N -1 3 234.255 0.918 20 0 BCADHM C[C@@H]1CN(C(=O)c2c([O-])cccc2O)C[C@@H]1O ZINC000387855199 347111356 /nfs/dbraw/zinc/11/13/56/347111356.db2.gz KBQSOLMJISFNLW-XCBNKYQSSA-N -1 3 237.255 0.551 20 0 BCADHM CC1(C)C[C@@H](NC(=O)c2c[n-]nn2)C(C)(C)O1 ZINC000183093723 347119358 /nfs/dbraw/zinc/11/93/58/347119358.db2.gz OJBMYOWTRPJNTQ-MRVPVSSYSA-N -1 3 238.291 0.881 20 0 BCADHM CC1(C)C[C@@H](NC(=O)c2cnn[n-]2)C(C)(C)O1 ZINC000183093723 347119363 /nfs/dbraw/zinc/11/93/63/347119363.db2.gz OJBMYOWTRPJNTQ-MRVPVSSYSA-N -1 3 238.291 0.881 20 0 BCADHM CC1(C)C[C@@H](NC(=O)c2cn[n-]n2)C(C)(C)O1 ZINC000183093723 347119366 /nfs/dbraw/zinc/11/93/66/347119366.db2.gz OJBMYOWTRPJNTQ-MRVPVSSYSA-N -1 3 238.291 0.881 20 0 BCADHM O=S(=O)([N-][C@H]1[C@@H]2COC[C@@H]21)c1ccco1 ZINC000582097451 347221374 /nfs/dbraw/zinc/22/13/74/347221374.db2.gz BGWNKMNRFVONFQ-QMSLJYSESA-N -1 3 229.257 0.203 20 0 BCADHM CCCC[C@H]([N-]S(C)(=O)=O)C(=O)OC ZINC000186121800 347226192 /nfs/dbraw/zinc/22/61/92/347226192.db2.gz RAOIFMLRUKUXMK-ZETCQYMHSA-N -1 3 223.294 0.267 20 0 BCADHM C[C@H](C1CC1)n1cc([N-]S(N)(=O)=O)cn1 ZINC000186763232 347240538 /nfs/dbraw/zinc/24/05/38/347240538.db2.gz MWZLXZHIFKCHAX-ZCFIWIBFSA-N -1 3 230.293 0.470 20 0 BCADHM Cc1cccc([C@H](O)CNC(=O)c2c[n-]nn2)c1 ZINC000153716915 179202246 /nfs/dbraw/zinc/20/22/46/179202246.db2.gz MTGUTIXVFXRAOE-LLVKDONJSA-N -1 3 246.270 0.577 20 0 BCADHM Cc1cccc([C@H](O)CNC(=O)c2cnn[n-]2)c1 ZINC000153716915 179202247 /nfs/dbraw/zinc/20/22/47/179202247.db2.gz MTGUTIXVFXRAOE-LLVKDONJSA-N -1 3 246.270 0.577 20 0 BCADHM Cc1cccc([C@H](O)CNC(=O)c2cn[n-]n2)c1 ZINC000153716915 179202249 /nfs/dbraw/zinc/20/22/49/179202249.db2.gz MTGUTIXVFXRAOE-LLVKDONJSA-N -1 3 246.270 0.577 20 0 BCADHM Cc1nnc([N-]C(=O)c2cncnc2)s1 ZINC000082267327 347322301 /nfs/dbraw/zinc/32/23/01/347322301.db2.gz ASNJRHABFHDLBF-UHFFFAOYSA-N -1 3 221.245 0.889 20 0 BCADHM Cc1[nH]nc2ncc(NC(=O)c3cnn[n-]3)cc12 ZINC000193873672 347407399 /nfs/dbraw/zinc/40/73/99/347407399.db2.gz BUFXZERLBABHTP-UHFFFAOYSA-N -1 3 243.230 0.637 20 0 BCADHM Cc1[nH]nc2ncc(NC(=O)c3c[n-]nn3)cc12 ZINC000193873672 347407402 /nfs/dbraw/zinc/40/74/02/347407402.db2.gz BUFXZERLBABHTP-UHFFFAOYSA-N -1 3 243.230 0.637 20 0 BCADHM Cc1[nH]nc2ncc(NC(=O)c3cn[n-]n3)cc12 ZINC000193873672 347407404 /nfs/dbraw/zinc/40/74/04/347407404.db2.gz BUFXZERLBABHTP-UHFFFAOYSA-N -1 3 243.230 0.637 20 0 BCADHM CSCCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000590549703 347470289 /nfs/dbraw/zinc/47/02/89/347470289.db2.gz FWINQOWVGDRDPB-UHFFFAOYSA-N -1 3 243.332 0.512 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2CCNC2=O)c([O-])c1C ZINC000616960385 347534713 /nfs/dbraw/zinc/53/47/13/347534713.db2.gz DFMXQYRGQBULMK-JTQLQIEISA-N -1 3 248.282 0.627 20 0 BCADHM CCc1cccc(C(=O)N[C@H]2CCNC2=O)c1[O-] ZINC000616960756 347535547 /nfs/dbraw/zinc/53/55/47/347535547.db2.gz LPKVTCGCDXRLKV-JTQLQIEISA-N -1 3 248.282 0.573 20 0 BCADHM O=S(=O)([N-]CC1CC1)c1ccccn1 ZINC000199761140 347764697 /nfs/dbraw/zinc/76/46/97/347764697.db2.gz DAYGXXUQHVZMJO-UHFFFAOYSA-N -1 3 212.274 0.770 20 0 BCADHM CCC[C@H](C)S(=O)(=O)[N-]C1(C(=O)OC)CC1 ZINC000593567248 347912107 /nfs/dbraw/zinc/91/21/07/347912107.db2.gz BCUFYKLHKLEMFP-QMMMGPOBSA-N -1 3 249.332 0.800 20 0 BCADHM CCC[C@@H](C)S(=O)(=O)[N-]C1(C(=O)OC)CC1 ZINC000593567239 347912130 /nfs/dbraw/zinc/91/21/30/347912130.db2.gz BCUFYKLHKLEMFP-MRVPVSSYSA-N -1 3 249.332 0.800 20 0 BCADHM CC[C@@H]1CCC[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC000328607672 187392410 /nfs/dbraw/zinc/39/24/10/187392410.db2.gz LJOSVXIFIMBKII-BDAKNGLRSA-N -1 3 224.308 0.777 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1CC12CCOCC2 ZINC000531373277 348470325 /nfs/dbraw/zinc/47/03/25/348470325.db2.gz NENCNENCUIRLKU-VIFPVBQESA-N -1 3 248.282 0.964 20 0 BCADHM CC(C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000082720501 348541212 /nfs/dbraw/zinc/54/12/12/348541212.db2.gz DUEWMQNALROREI-UHFFFAOYSA-N -1 3 203.267 0.107 20 0 BCADHM C[C@@H](O)[C@@H](CO)NCc1cc([O-])cc(F)c1 ZINC000419797154 192145162 /nfs/dbraw/zinc/14/51/62/192145162.db2.gz ROPWJIOJXHXHBW-RDDDGLTNSA-N -1 3 229.251 0.363 20 0 BCADHM CSCCNC(=O)c1cc(=O)[n-]cn1 ZINC000598973084 349069425 /nfs/dbraw/zinc/06/94/25/349069425.db2.gz GXXBLCWCPCFODZ-UHFFFAOYSA-N -1 3 213.262 0.275 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000599007761 349075017 /nfs/dbraw/zinc/07/50/17/349075017.db2.gz PWWHISFDJAOHDN-QMMMGPOBSA-N -1 3 237.255 0.992 20 0 BCADHM COC(=O)CNC(=O)c1c(C)cccc1[O-] ZINC000598957795 349067302 /nfs/dbraw/zinc/06/73/02/349067302.db2.gz COJJWWDPLHUTIJ-UHFFFAOYSA-N -1 3 223.228 0.603 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@H]1C=CCC1 ZINC000603807960 350036868 /nfs/dbraw/zinc/03/68/68/350036868.db2.gz CPVGNNPOEZXAFX-WDEREUQCSA-N -1 3 249.314 0.971 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc[nH]c1 ZINC000603888048 350049236 /nfs/dbraw/zinc/04/92/36/350049236.db2.gz FRAWKFHRVSUWKP-SECBINFHSA-N -1 3 234.259 0.257 20 0 BCADHM CCCOCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000603888001 350049408 /nfs/dbraw/zinc/04/94/08/350049408.db2.gz CPRTYOVHIUXOFO-SECBINFHSA-N -1 3 241.291 0.041 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)cn1C ZINC000264163869 180029547 /nfs/dbraw/zinc/02/95/47/180029547.db2.gz YLMWHYFOFCOJKM-IONNQARKSA-N -1 3 243.332 0.663 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC1CC1 ZINC000131275849 180026176 /nfs/dbraw/zinc/02/61/76/180026176.db2.gz DQSSVPLPKUOBNF-UHFFFAOYSA-N -1 3 223.232 0.935 20 0 BCADHM CO[N-]C(=O)[C@H]1CCCN(C(=O)OC)C1 ZINC000104236763 323263530 /nfs/dbraw/zinc/26/35/30/323263530.db2.gz FMSOITMGPOQAAS-ZETCQYMHSA-N -1 3 216.237 0.142 20 0 BCADHM C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)[O-])C[C@@H](C)C1 ZINC000428170137 191047573 /nfs/dbraw/zinc/04/75/73/191047573.db2.gz KAYUROLRLATYJR-AEJSXWLSSA-N -1 3 240.303 0.260 20 0 BCADHM Cc1ncc(C(=O)NCc2ncccc2[O-])[nH]1 ZINC000352502688 180131303 /nfs/dbraw/zinc/13/13/03/180131303.db2.gz XQLRFBMABHWCHJ-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM COC[C@H](C)S(=O)(=O)[N-]Cc1ncc(C)o1 ZINC000427243693 191057728 /nfs/dbraw/zinc/05/77/28/191057728.db2.gz RZVMWIPLPQLHRV-QMMMGPOBSA-N -1 3 248.304 0.437 20 0 BCADHM Cc1ncc(CNC(=O)N[C@@H](C)CF)c(=O)[n-]1 ZINC000341580985 180148591 /nfs/dbraw/zinc/14/85/91/180148591.db2.gz JXCNFIOGGDWSND-LURJTMIESA-N -1 3 242.254 0.648 20 0 BCADHM C[C@@H](Cc1cccc(O)c1)NC(=O)c1c[n-]nn1 ZINC000427639214 191085688 /nfs/dbraw/zinc/08/56/88/191085688.db2.gz YIQLMODHIUKGMO-QMMMGPOBSA-N -1 3 246.270 0.871 20 0 BCADHM C[C@@H](Cc1cccc(O)c1)NC(=O)c1cnn[n-]1 ZINC000427639214 191085690 /nfs/dbraw/zinc/08/56/90/191085690.db2.gz YIQLMODHIUKGMO-QMMMGPOBSA-N -1 3 246.270 0.871 20 0 BCADHM C[C@@H](Cc1cccc(O)c1)NC(=O)c1cn[n-]n1 ZINC000427639214 191085692 /nfs/dbraw/zinc/08/56/92/191085692.db2.gz YIQLMODHIUKGMO-QMMMGPOBSA-N -1 3 246.270 0.871 20 0 BCADHM C[C@@]1(NC(=O)c2cc(=O)[n-]cn2)CCOC1 ZINC000626271043 350244697 /nfs/dbraw/zinc/24/46/97/350244697.db2.gz WRDUCHSGVCGOPN-SNVBAGLBSA-N -1 3 223.232 0.091 20 0 BCADHM CCCCS(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000218973985 350281703 /nfs/dbraw/zinc/28/17/03/350281703.db2.gz PVMPHRRIEQWBME-LURJTMIESA-N -1 3 249.254 0.629 20 0 BCADHM CCCN1CCC[C@H]1C(=O)N[C@H](C)CC(=O)[O-] ZINC000427728997 191089976 /nfs/dbraw/zinc/08/99/76/191089976.db2.gz TZNRLLQBJFRBLE-ZJUUUORDSA-N -1 3 242.319 0.840 20 0 BCADHM Cc1nn(C)c(C)c1[N-]S(=O)(=O)N(C)C ZINC000265790332 180345102 /nfs/dbraw/zinc/34/51/02/180345102.db2.gz UHYHBVVGMVCAPN-UHFFFAOYSA-N -1 3 232.309 0.255 20 0 BCADHM CO[C@@H]1CCCC[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000336759152 350503056 /nfs/dbraw/zinc/50/30/56/350503056.db2.gz ISZHZEUSNYGRRY-JGVFFNPUSA-N -1 3 226.280 0.558 20 0 BCADHM CS[C@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000157895762 191110934 /nfs/dbraw/zinc/11/09/34/191110934.db2.gz NDFOVQKKWBURLO-ZCFIWIBFSA-N -1 3 235.334 0.440 20 0 BCADHM CCC(CC)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000229033208 350564292 /nfs/dbraw/zinc/56/42/92/350564292.db2.gz VFJLHWPUWVQYJS-UHFFFAOYSA-N -1 3 244.335 0.897 20 0 BCADHM CC[C@@H](O)CCCN=c1ncnc2[nH][n-]cc1-2 ZINC000337602426 350598293 /nfs/dbraw/zinc/59/82/93/350598293.db2.gz KIRJAULXWVLZTR-MRVPVSSYSA-N -1 3 235.291 0.689 20 0 BCADHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2c[nH]cn2)O1 ZINC000397913393 350606615 /nfs/dbraw/zinc/60/66/15/350606615.db2.gz MCZVUDKDNJBYHV-YUMQZZPRSA-N -1 3 245.304 0.256 20 0 BCADHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2c[nH]cn2)O1 ZINC000397913392 350606891 /nfs/dbraw/zinc/60/68/91/350606891.db2.gz MCZVUDKDNJBYHV-SFYZADRCSA-N -1 3 245.304 0.256 20 0 BCADHM C[C@H](O)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000035609265 358458096 /nfs/dbraw/zinc/45/80/96/358458096.db2.gz DUGRSKLDIYZVOR-QMMMGPOBSA-N -1 3 246.266 0.639 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCC(F)(F)C1 ZINC000626373120 351008724 /nfs/dbraw/zinc/00/87/24/351008724.db2.gz IVSRURGGMFHOOZ-UHFFFAOYSA-N -1 3 229.186 0.663 20 0 BCADHM O=C(N[C@H](CO)CC1CC1)c1cc(=O)[n-]cn1 ZINC000626339631 350989180 /nfs/dbraw/zinc/98/91/80/350989180.db2.gz MDKPMJPQMOJJRE-QMMMGPOBSA-N -1 3 237.259 0.073 20 0 BCADHM CC(C)(CO)C(=O)[N-]C1=NCCS1 ZINC000306821855 351129485 /nfs/dbraw/zinc/12/94/85/351129485.db2.gz LLPANFZHVYSFFJ-UHFFFAOYSA-N -1 3 202.279 0.224 20 0 BCADHM Cc1nn(C)c(C)c1NC(=O)c1cc(=O)[n-]cn1 ZINC000623583068 363016465 /nfs/dbraw/zinc/01/64/65/363016465.db2.gz PVSUSENZQREDJK-UHFFFAOYSA-N -1 3 247.258 0.785 20 0 BCADHM CCCCC[N-]S(=O)(=O)c1nncn1C ZINC000631638508 351346078 /nfs/dbraw/zinc/34/60/78/351346078.db2.gz ZIWVCJYVEYYGCO-UHFFFAOYSA-N -1 3 232.309 0.284 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCOCC12CC2 ZINC000626969058 363069412 /nfs/dbraw/zinc/06/94/12/363069412.db2.gz RIPXUOPCIXWYDK-UHFFFAOYSA-N -1 3 235.243 0.187 20 0 BCADHM CC1(C)CNCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000637857574 351718168 /nfs/dbraw/zinc/71/81/68/351718168.db2.gz QYUMCQIMNRDKJZ-UHFFFAOYSA-N -1 3 236.275 0.006 20 0 BCADHM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1ccccn1 ZINC000340080815 351882815 /nfs/dbraw/zinc/88/28/15/351882815.db2.gz LEKHFBXRVFDCTR-SECBINFHSA-N -1 3 244.316 0.377 20 0 BCADHM COCCCN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000340214081 352060361 /nfs/dbraw/zinc/06/03/61/352060361.db2.gz NHGOXSWGUYWTHF-UHFFFAOYSA-N -1 3 241.291 0.991 20 0 BCADHM O=C([O-])C(=O)N1CCCN(C2CCCC2)CC1 ZINC000083960734 352105780 /nfs/dbraw/zinc/10/57/80/352105780.db2.gz UTKQXXLESFRJAD-UHFFFAOYSA-N -1 3 240.303 0.548 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1cccs1)C(N)=O ZINC000296122592 352435897 /nfs/dbraw/zinc/43/58/97/352435897.db2.gz HUPUOJLIPRRYJO-ZCFIWIBFSA-N -1 3 248.329 0.290 20 0 BCADHM CC[C@@H](CNC(=O)c1cc(=O)[n-]cn1)OC ZINC000627408762 352577440 /nfs/dbraw/zinc/57/74/40/352577440.db2.gz IEAUPVJJFDWXOF-ZETCQYMHSA-N -1 3 225.248 0.337 20 0 BCADHM O=C([O-])[C@@H]1CCCCN1Cc1cn[nH]c1 ZINC000307508580 352627816 /nfs/dbraw/zinc/62/78/16/352627816.db2.gz URJKUWVVCUYOQG-VIFPVBQESA-N -1 3 209.249 0.849 20 0 BCADHM CO[C@@](C)([C@@H](C)NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC000411967866 191235088 /nfs/dbraw/zinc/23/50/88/191235088.db2.gz IVZMMGWNNXWPJB-HQJQHLMTSA-N -1 3 240.307 0.804 20 0 BCADHM Cc1ccc(C(=O)N2CC(=O)N(C)C2)c([O-])c1C ZINC000334216294 352816148 /nfs/dbraw/zinc/81/61/48/352816148.db2.gz GCNDGPZWPSFELC-UHFFFAOYSA-N -1 3 248.282 0.881 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CC2(C)C)c1 ZINC000334243951 352833105 /nfs/dbraw/zinc/83/31/05/352833105.db2.gz RXJHUWSYHZAMHG-MRVPVSSYSA-N -1 3 243.332 0.745 20 0 BCADHM OC[C@@H]1C=C[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000359033024 188068359 /nfs/dbraw/zinc/06/83/59/188068359.db2.gz TZBBEHDXOYTZEM-HTQZYQBOSA-N -1 3 231.259 0.075 20 0 BCADHM CC(C)[C@H](C)NC(=O)CN(C)CCCC(=O)[O-] ZINC000042717646 188083940 /nfs/dbraw/zinc/08/39/40/188083940.db2.gz DMRBUNMKBGKYPS-JTQLQIEISA-N -1 3 244.335 0.944 20 0 BCADHM CC1(C)C[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000336758453 353167277 /nfs/dbraw/zinc/16/72/77/353167277.db2.gz KPNPDPANDOTLNT-ZETCQYMHSA-N -1 3 203.249 0.937 20 0 BCADHM CC1(C)[C@H](NC(=O)c2c[n-]nn2)[C@H]2CCO[C@@H]21 ZINC000151111436 188157171 /nfs/dbraw/zinc/15/71/71/188157171.db2.gz IXDLRFJBPLUHNC-VDAHYXPESA-N -1 3 236.275 0.348 20 0 BCADHM CC1(C)[C@H](NC(=O)c2cnn[n-]2)[C@H]2CCO[C@@H]21 ZINC000151111436 188157173 /nfs/dbraw/zinc/15/71/73/188157173.db2.gz IXDLRFJBPLUHNC-VDAHYXPESA-N -1 3 236.275 0.348 20 0 BCADHM CC1(C)[C@H](NC(=O)c2cn[n-]n2)[C@H]2CCO[C@@H]21 ZINC000151111436 188157175 /nfs/dbraw/zinc/15/71/75/188157175.db2.gz IXDLRFJBPLUHNC-VDAHYXPESA-N -1 3 236.275 0.348 20 0 BCADHM CCCCN1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000364014501 188171154 /nfs/dbraw/zinc/17/11/54/188171154.db2.gz VAADWZYGHVLPBL-LLVKDONJSA-N -1 3 244.335 0.504 20 0 BCADHM O=C(NC[C@@H]1CCOC1)c1ccc(O)cc1[O-] ZINC000221649040 188180652 /nfs/dbraw/zinc/18/06/52/188180652.db2.gz GAVMZOQZUUEDDR-QMMMGPOBSA-N -1 3 237.255 0.864 20 0 BCADHM COC[C@H](OC)C(=O)Nc1ncccc1[O-] ZINC000613426507 363210172 /nfs/dbraw/zinc/21/01/72/363210172.db2.gz JNMZVKHMFMAIIH-QMMMGPOBSA-N -1 3 226.232 0.387 20 0 BCADHM CC(=O)CCC(=O)NCc1cnc(C)[n-]c1=O ZINC000337416125 188186884 /nfs/dbraw/zinc/18/68/84/188186884.db2.gz RKMXLDJOUXZHCZ-UHFFFAOYSA-N -1 3 237.259 0.476 20 0 BCADHM Cc1cc(=O)[n-]c(C=Cc2cnnn2C)n1 ZINC000339115153 188190829 /nfs/dbraw/zinc/19/08/29/188190829.db2.gz AGNAPFIJRGEJDX-ONEGZZNKSA-N -1 3 217.232 0.790 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H](O)C1CC1 ZINC000613427056 363211598 /nfs/dbraw/zinc/21/15/98/363211598.db2.gz NANMQADBEBOWJQ-QMMMGPOBSA-N -1 3 208.217 0.497 20 0 BCADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000297834387 188214938 /nfs/dbraw/zinc/21/49/38/188214938.db2.gz QVVGRGDQXIQHIQ-WDSKDSINSA-N -1 3 237.263 0.134 20 0 BCADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000297834387 188214939 /nfs/dbraw/zinc/21/49/39/188214939.db2.gz QVVGRGDQXIQHIQ-WDSKDSINSA-N -1 3 237.263 0.134 20 0 BCADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000297834387 188214941 /nfs/dbraw/zinc/21/49/41/188214941.db2.gz QVVGRGDQXIQHIQ-WDSKDSINSA-N -1 3 237.263 0.134 20 0 BCADHM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000340859000 188216568 /nfs/dbraw/zinc/21/65/68/188216568.db2.gz ZYMIJHMTXNWQRD-IUCAKERBSA-N -1 3 244.316 0.519 20 0 BCADHM CN1C(=O)CC[C@H]1CC(=O)Nc1ncccc1[O-] ZINC000613427660 363211279 /nfs/dbraw/zinc/21/12/79/363211279.db2.gz VSBQOCUBFXEPDI-QMMMGPOBSA-N -1 3 249.270 0.737 20 0 BCADHM O=c1[n-]c(=O)n(CCC2CC2)cc1Cl ZINC000085632985 491050474 /nfs/dbraw/zinc/05/04/74/491050474.db2.gz YUSXATWONPAIAU-UHFFFAOYSA-N -1 3 214.652 0.990 20 0 BCADHM CNC(=O)C[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000323023299 353738020 /nfs/dbraw/zinc/73/80/20/353738020.db2.gz SFKQPGDHMYWQRA-QMMMGPOBSA-N -1 3 236.271 0.647 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CC[C@H](O)C1 ZINC000343858876 354024172 /nfs/dbraw/zinc/02/41/72/354024172.db2.gz YDAHLSXZMRCMSS-YUMQZZPRSA-N -1 3 222.244 0.887 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CC[C@@H](O)C1 ZINC000343858869 354024180 /nfs/dbraw/zinc/02/41/80/354024180.db2.gz YDAHLSXZMRCMSS-HTQZYQBOSA-N -1 3 222.244 0.887 20 0 BCADHM Cc1c(CNCc2cnc(C)[n-]c2=O)cnn1C ZINC000344327146 354224110 /nfs/dbraw/zinc/22/41/10/354224110.db2.gz JNFUQEDDCZRICW-UHFFFAOYSA-N -1 3 247.302 0.822 20 0 BCADHM Cc1ncc(CNCc2cncn2C)c(=O)[n-]1 ZINC000344338267 354234739 /nfs/dbraw/zinc/23/47/39/354234739.db2.gz WRMLGBMXYINBMW-UHFFFAOYSA-N -1 3 233.275 0.514 20 0 BCADHM CO[C@](C)([C@H](C)NC(=O)c1c[n-]nn1)C1CC1 ZINC000412614904 191300109 /nfs/dbraw/zinc/30/01/09/191300109.db2.gz QWOVHZWLLSPGIC-WRWORJQWSA-N -1 3 238.291 0.738 20 0 BCADHM CO[C@](C)([C@H](C)NC(=O)c1cnn[n-]1)C1CC1 ZINC000412614904 191300112 /nfs/dbraw/zinc/30/01/12/191300112.db2.gz QWOVHZWLLSPGIC-WRWORJQWSA-N -1 3 238.291 0.738 20 0 BCADHM CO[C@](C)([C@H](C)NC(=O)c1cn[n-]n1)C1CC1 ZINC000412614904 191300114 /nfs/dbraw/zinc/30/01/14/191300114.db2.gz QWOVHZWLLSPGIC-WRWORJQWSA-N -1 3 238.291 0.738 20 0 BCADHM O=S(=O)([N-]Cc1ccc[nH]1)c1c[nH]cn1 ZINC000334763258 354583787 /nfs/dbraw/zinc/58/37/87/354583787.db2.gz SEJHLZCDWHTFPH-UHFFFAOYSA-N -1 3 226.261 0.216 20 0 BCADHM Cn1[n-]c(CN2CCC[C@H]3CCC[C@@H]32)nc1=O ZINC000335084122 354618124 /nfs/dbraw/zinc/61/81/24/354618124.db2.gz QGDKDDQBLPNJGM-ZJUUUORDSA-N -1 3 236.319 0.873 20 0 BCADHM C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC(C)(C)C1 ZINC000335133170 354780199 /nfs/dbraw/zinc/78/01/99/354780199.db2.gz YNCAIFCULRBWQH-SECBINFHSA-N -1 3 238.335 0.976 20 0 BCADHM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CC(C)(C)C1 ZINC000335133172 354780512 /nfs/dbraw/zinc/78/05/12/354780512.db2.gz YNCAIFCULRBWQH-VIFPVBQESA-N -1 3 238.335 0.976 20 0 BCADHM CCC(CC)(NCc1cn(C)nn1)C(=O)[O-] ZINC000232851501 363386427 /nfs/dbraw/zinc/38/64/27/363386427.db2.gz DLUCZOVPZIZFNQ-UHFFFAOYSA-N -1 3 226.280 0.548 20 0 BCADHM Cc1ccc([O-])c(NC(=O)Cn2cccn2)n1 ZINC000345921731 354826987 /nfs/dbraw/zinc/82/69/87/354826987.db2.gz DOZWRNOKFVMJRC-UHFFFAOYSA-N -1 3 232.243 0.931 20 0 BCADHM Cc1ccc([O-])c(NC(=O)CCc2nnc[nH]2)n1 ZINC000345921849 354827150 /nfs/dbraw/zinc/82/71/50/354827150.db2.gz FIVMEIKCNSIMCV-UHFFFAOYSA-N -1 3 247.258 0.785 20 0 BCADHM CCn1nncc1C(=O)Nc1ncccc1[O-] ZINC000346306647 354891074 /nfs/dbraw/zinc/89/10/74/354891074.db2.gz JWQPNELYDKHVDQ-UHFFFAOYSA-N -1 3 233.231 0.651 20 0 BCADHM C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C[C@@H](C)C1 ZINC000335221486 355061850 /nfs/dbraw/zinc/06/18/50/355061850.db2.gz VKZSTEKKKCSUSR-UWVGGRQHSA-N -1 3 238.335 0.976 20 0 BCADHM CC(C)(CNC(=O)c1c[n-]nn1)c1cccnc1 ZINC000412883099 191325304 /nfs/dbraw/zinc/32/53/04/191325304.db2.gz GKTFVCGOJVZIHA-UHFFFAOYSA-N -1 3 245.286 0.907 20 0 BCADHM CC(C)(CNC(=O)c1cnn[n-]1)c1cccnc1 ZINC000412883099 191325307 /nfs/dbraw/zinc/32/53/07/191325307.db2.gz GKTFVCGOJVZIHA-UHFFFAOYSA-N -1 3 245.286 0.907 20 0 BCADHM CC(C)(CNC(=O)c1cn[n-]n1)c1cccnc1 ZINC000412883099 191325309 /nfs/dbraw/zinc/32/53/09/191325309.db2.gz GKTFVCGOJVZIHA-UHFFFAOYSA-N -1 3 245.286 0.907 20 0 BCADHM CN1CCC(O)(C[N-]C(=O)C(F)(F)F)CC1 ZINC000219096208 355319494 /nfs/dbraw/zinc/31/94/94/355319494.db2.gz CNHOSUOCWQYLIH-UHFFFAOYSA-N -1 3 240.225 0.122 20 0 BCADHM O=C(Nc1nc[nH]n1)c1c([O-])cccc1O ZINC000125646312 324646760 /nfs/dbraw/zinc/64/67/60/324646760.db2.gz KCNNZVJVXKLDKW-UHFFFAOYSA-N -1 3 220.188 0.468 20 0 BCADHM CCC(O)(CC)CCNC(=O)c1c[n-]nn1 ZINC000349914574 355525806 /nfs/dbraw/zinc/52/58/06/355525806.db2.gz TVUULXANKAKEHC-UHFFFAOYSA-N -1 3 226.280 0.476 20 0 BCADHM CCC(O)(CC)CCNC(=O)c1cnn[n-]1 ZINC000349914574 355525808 /nfs/dbraw/zinc/52/58/08/355525808.db2.gz TVUULXANKAKEHC-UHFFFAOYSA-N -1 3 226.280 0.476 20 0 BCADHM CCC(O)(CC)CCNC(=O)c1cn[n-]n1 ZINC000349914574 355525811 /nfs/dbraw/zinc/52/58/11/355525811.db2.gz TVUULXANKAKEHC-UHFFFAOYSA-N -1 3 226.280 0.476 20 0 BCADHM Cc1nc[nH]c1CNC(=O)c1csc(=O)[n-]1 ZINC000350155593 355616415 /nfs/dbraw/zinc/61/64/15/355616415.db2.gz HGPKVERZYAOGBR-UHFFFAOYSA-N -1 3 238.272 0.810 20 0 BCADHM COCC1(CC(=O)Nc2ccncc2[O-])CC1 ZINC000583567081 355649500 /nfs/dbraw/zinc/64/95/00/355649500.db2.gz GSKBKCBFUXHMCC-UHFFFAOYSA-N -1 3 236.271 0.964 20 0 BCADHM C[C@@H]1OCC[C@]1(C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626430824 355722870 /nfs/dbraw/zinc/72/28/70/355722870.db2.gz RGCRFMAGHIFRQY-CPCISQLKSA-N -1 3 237.259 0.480 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1Cc1nc(=O)n(C)[n-]1 ZINC000336001760 134047505 /nfs/dbraw/zinc/04/75/05/134047505.db2.gz DBDHFXPJIVIZKX-HTQZYQBOSA-N -1 3 210.281 0.481 20 0 BCADHM CCC(=O)CNC(=O)c1csc(=O)[n-]1 ZINC000350705101 355744372 /nfs/dbraw/zinc/74/43/72/355744372.db2.gz YJFBIWAZLWDLDU-UHFFFAOYSA-N -1 3 214.246 0.558 20 0 BCADHM O=S(=O)([N-]C[C@H](O)C(F)F)c1ccoc1 ZINC000352064320 134054719 /nfs/dbraw/zinc/05/47/19/134054719.db2.gz XCLJATGDQGRDTL-LURJTMIESA-N -1 3 241.215 0.184 20 0 BCADHM N=c1nc(N2CCC[C@H](O)CC2)nc2[nH][n-]cc1-2 ZINC000338830935 181212285 /nfs/dbraw/zinc/21/22/85/181212285.db2.gz PXTQWCCNUFDQJZ-ZETCQYMHSA-N -1 3 248.290 0.068 20 0 BCADHM Cn1ncc2c1CN(C(=O)c1cc(=O)[n-]cn1)C2 ZINC000623252395 355838591 /nfs/dbraw/zinc/83/85/91/355838591.db2.gz AVUINRSSLIWLFE-UHFFFAOYSA-N -1 3 245.242 0.072 20 0 BCADHM NC(=O)CO[N-]C(=O)CC1=CCCCC1 ZINC000089465172 181238478 /nfs/dbraw/zinc/23/84/78/181238478.db2.gz ZSEKJIMWVFFBKR-UHFFFAOYSA-N -1 3 212.249 0.410 20 0 BCADHM O=C(Cc1[nH]nc2ccccc21)Nc1nnn[n-]1 ZINC000351671419 356050933 /nfs/dbraw/zinc/05/09/33/356050933.db2.gz DFDMFWNDYRKQDU-UHFFFAOYSA-N -1 3 243.230 0.257 20 0 BCADHM O=C(Cc1n[nH]c2ccccc12)Nc1nnn[n-]1 ZINC000351671419 356050935 /nfs/dbraw/zinc/05/09/35/356050935.db2.gz DFDMFWNDYRKQDU-UHFFFAOYSA-N -1 3 243.230 0.257 20 0 BCADHM O=C(Cc1[nH]nc2ccccc21)Nc1nn[n-]n1 ZINC000351671419 356050936 /nfs/dbraw/zinc/05/09/36/356050936.db2.gz DFDMFWNDYRKQDU-UHFFFAOYSA-N -1 3 243.230 0.257 20 0 BCADHM O=C(Cc1n[nH]c2ccccc12)Nc1nn[n-]n1 ZINC000351671419 356050939 /nfs/dbraw/zinc/05/09/39/356050939.db2.gz DFDMFWNDYRKQDU-UHFFFAOYSA-N -1 3 243.230 0.257 20 0 BCADHM COC(=O)CN(C)C(=O)c1cccc2[n-]nnc21 ZINC000526114243 356226202 /nfs/dbraw/zinc/22/62/02/356226202.db2.gz YAKHDIGUAZULIF-UHFFFAOYSA-N -1 3 248.242 0.203 20 0 BCADHM COC(=O)CN(C)C(=O)c1cccc2nn[n-]c21 ZINC000526114243 356226206 /nfs/dbraw/zinc/22/62/06/356226206.db2.gz YAKHDIGUAZULIF-UHFFFAOYSA-N -1 3 248.242 0.203 20 0 BCADHM COC(=O)CN(C)C(=O)c1cccc2n[n-]nc21 ZINC000526114243 356226210 /nfs/dbraw/zinc/22/62/10/356226210.db2.gz YAKHDIGUAZULIF-UHFFFAOYSA-N -1 3 248.242 0.203 20 0 BCADHM Cc1cccc(C(=O)NC/C=C/CO)c1[O-] ZINC000617691540 356286675 /nfs/dbraw/zinc/28/66/75/356286675.db2.gz WPGSWUAHACNTJI-NSCUHMNNSA-N -1 3 221.256 0.979 20 0 BCADHM CC(C)C[C@H](N)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000087513396 491089535 /nfs/dbraw/zinc/08/95/35/491089535.db2.gz ALUFVXRHMFTOKD-UWVGGRQHSA-N -1 3 244.335 0.833 20 0 BCADHM CCN1CN(C(=O)c2cccc([O-])c2)CC1=O ZINC000190548009 356444537 /nfs/dbraw/zinc/44/45/37/356444537.db2.gz BXEIUDJLVBORPP-UHFFFAOYSA-N -1 3 234.255 0.654 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2C[C@H]2C)n1 ZINC000609835535 356480881 /nfs/dbraw/zinc/48/08/81/356480881.db2.gz GIOMHMWZVSREMK-PHDIDXHHSA-N -1 3 238.247 0.115 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)[C@@H]2C[C@H]2C)[n-]1 ZINC000609835535 356480885 /nfs/dbraw/zinc/48/08/85/356480885.db2.gz GIOMHMWZVSREMK-PHDIDXHHSA-N -1 3 238.247 0.115 20 0 BCADHM COC(=O)Cc1nc(NC(=O)[C@@H]2C[C@H]2C)n[n-]1 ZINC000609835535 356480890 /nfs/dbraw/zinc/48/08/90/356480890.db2.gz GIOMHMWZVSREMK-PHDIDXHHSA-N -1 3 238.247 0.115 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)CC1CCC1 ZINC000297780908 181286109 /nfs/dbraw/zinc/28/61/09/181286109.db2.gz NMLRWESUNYYKEB-UHFFFAOYSA-N -1 3 223.236 0.032 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)CC1CCC1 ZINC000297780908 181286110 /nfs/dbraw/zinc/28/61/10/181286110.db2.gz NMLRWESUNYYKEB-UHFFFAOYSA-N -1 3 223.236 0.032 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)CC1CCC1 ZINC000297780908 181286111 /nfs/dbraw/zinc/28/61/11/181286111.db2.gz NMLRWESUNYYKEB-UHFFFAOYSA-N -1 3 223.236 0.032 20 0 BCADHM CO[C@H](C(=O)[N-]c1nncn1C)C1CCCC1 ZINC000613538313 363479328 /nfs/dbraw/zinc/47/93/28/363479328.db2.gz LIXVEBNXDZIVSA-VIFPVBQESA-N -1 3 238.291 0.959 20 0 BCADHM CC[C@H](O)CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000450130922 202084980 /nfs/dbraw/zinc/08/49/80/202084980.db2.gz WSWKKRGEIBRUGX-LURJTMIESA-N -1 3 241.247 0.296 20 0 BCADHM C[C@@H]1CC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627213919 363510132 /nfs/dbraw/zinc/51/01/32/363510132.db2.gz TWRRZIJXBCCHML-RNFRBKRXSA-N -1 3 207.233 0.711 20 0 BCADHM C[C@H](CO)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000450164394 202088719 /nfs/dbraw/zinc/08/87/19/202088719.db2.gz VYXZUEFQLWSFIM-QMMMGPOBSA-N -1 3 241.262 0.818 20 0 BCADHM O=C(NC[C@@H]1CCc2cccnc21)c1c[n-]nn1 ZINC000623312219 356624417 /nfs/dbraw/zinc/62/44/17/356624417.db2.gz HIFPQNGXVOLFSX-VIFPVBQESA-N -1 3 243.270 0.660 20 0 BCADHM O=C(NC[C@@H]1CCc2cccnc21)c1cnn[n-]1 ZINC000623312219 356624420 /nfs/dbraw/zinc/62/44/20/356624420.db2.gz HIFPQNGXVOLFSX-VIFPVBQESA-N -1 3 243.270 0.660 20 0 BCADHM O=C(NC[C@@H]1CCc2cccnc21)c1cn[n-]n1 ZINC000623312219 356624425 /nfs/dbraw/zinc/62/44/25/356624425.db2.gz HIFPQNGXVOLFSX-VIFPVBQESA-N -1 3 243.270 0.660 20 0 BCADHM NC(=O)c1cc(C(=O)Nc2ncccc2[O-])co1 ZINC000354174515 181288721 /nfs/dbraw/zinc/28/87/21/181288721.db2.gz PJKDOGMWOGLSDZ-UHFFFAOYSA-N -1 3 247.210 0.731 20 0 BCADHM CCN(Cc1nc(=O)n(C)[n-]1)CC1CCC1 ZINC000361481783 356930547 /nfs/dbraw/zinc/93/05/47/356930547.db2.gz QROSSRTZFXCHJI-UHFFFAOYSA-N -1 3 224.308 0.730 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(N)=O)c1 ZINC000020295347 357004402 /nfs/dbraw/zinc/00/44/02/357004402.db2.gz ZNMKUMGUFGXGOG-SNVBAGLBSA-N -1 3 248.282 0.791 20 0 BCADHM O=C(NCCCO)c1cccc2nn[n-]c21 ZINC000543749435 325109680 /nfs/dbraw/zinc/10/96/80/325109680.db2.gz JTFPXJKKYVOCBH-UHFFFAOYSA-N -1 3 220.232 0.070 20 0 BCADHM O=C(NCCCO)c1cccc2[n-]nnc21 ZINC000543749435 325109683 /nfs/dbraw/zinc/10/96/83/325109683.db2.gz JTFPXJKKYVOCBH-UHFFFAOYSA-N -1 3 220.232 0.070 20 0 BCADHM O=C(NCCCO)c1cccc2n[n-]nc21 ZINC000543749435 325109685 /nfs/dbraw/zinc/10/96/85/325109685.db2.gz JTFPXJKKYVOCBH-UHFFFAOYSA-N -1 3 220.232 0.070 20 0 BCADHM CC(C)[C@@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])N(C)C ZINC000582420234 357143148 /nfs/dbraw/zinc/14/31/48/357143148.db2.gz HRZSEDMQCVQLDJ-ZJUUUORDSA-N -1 3 244.335 0.752 20 0 BCADHM O=c1[n-]c(CN[C@@H]2CCC[C@@H]3C[C@@H]32)n[nH]1 ZINC000392360575 357147376 /nfs/dbraw/zinc/14/73/76/357147376.db2.gz QOTYLDMSLGJLRD-GJMOJQLCSA-N -1 3 208.265 0.789 20 0 BCADHM CCc1nc([N-]C(=O)c2cc(C)no2)n[nH]1 ZINC000123183934 357213226 /nfs/dbraw/zinc/21/32/26/357213226.db2.gz NQUDAJKIYLXYEZ-UHFFFAOYSA-N -1 3 221.220 0.916 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCC[C@H]1CCO ZINC000626526620 357182102 /nfs/dbraw/zinc/18/21/02/357182102.db2.gz OFMPVDZWTKNCJT-QMMMGPOBSA-N -1 3 237.259 0.169 20 0 BCADHM CCNS(=O)(=O)[N-]CC(C)(F)F ZINC000393446303 357309265 /nfs/dbraw/zinc/30/92/65/357309265.db2.gz SPQJREBIWQODMM-UHFFFAOYSA-N -1 3 202.226 0.086 20 0 BCADHM CC(C)[C@H](CO)CNc1ccncc1C(=O)[O-] ZINC000394180850 357335508 /nfs/dbraw/zinc/33/55/08/357335508.db2.gz UAKZBJOITLJWBQ-VIFPVBQESA-N -1 3 238.287 0.878 20 0 BCADHM CCCNC(=O)CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000397076311 357497831 /nfs/dbraw/zinc/49/78/31/357497831.db2.gz CXVJAEYVLRQPHF-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@H](F)CN1 ZINC000188685821 357571856 /nfs/dbraw/zinc/57/18/56/357571856.db2.gz GBINGSIBUNSPNO-DJLDLDEBSA-N -1 3 232.255 0.261 20 0 BCADHM O=C(N[C@H]1CNC(=O)C1)c1cccc([O-])c1 ZINC000230655242 357545074 /nfs/dbraw/zinc/54/50/74/357545074.db2.gz VHQNTORVBRUWQW-MRVPVSSYSA-N -1 3 220.228 0.011 20 0 BCADHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000231686229 357620687 /nfs/dbraw/zinc/62/06/87/357620687.db2.gz HXCFBTMNWGDUIP-HTQZYQBOSA-N -1 3 245.304 0.256 20 0 BCADHM CCN1C[C@@H](C(=O)Nc2ncccc2[O-])CC1=O ZINC000192765350 357850998 /nfs/dbraw/zinc/85/09/98/357850998.db2.gz YKIAHBFAJWBWJV-QMMMGPOBSA-N -1 3 249.270 0.594 20 0 BCADHM CCN1C[C@H](C(=O)Nc2ncccc2[O-])CC1=O ZINC000192765341 357850550 /nfs/dbraw/zinc/85/05/50/357850550.db2.gz YKIAHBFAJWBWJV-MRVPVSSYSA-N -1 3 249.270 0.594 20 0 BCADHM CC(C)C[C@@H](NC(=O)[C@H](N)C1CCC1)C(=O)[O-] ZINC000399149577 357896458 /nfs/dbraw/zinc/89/64/58/357896458.db2.gz YLFWSSFRQIMDQW-NXEZZACHSA-N -1 3 242.319 0.729 20 0 BCADHM CSc1nnc(NC(=O)Cn2ccnc2)[n-]1 ZINC000583726799 357910777 /nfs/dbraw/zinc/91/07/77/357910777.db2.gz HIYCLLNAYVBCFV-UHFFFAOYSA-N -1 3 238.276 0.362 20 0 BCADHM CSc1n[n-]c(NC(=O)Cn2ccnc2)n1 ZINC000583726799 357910783 /nfs/dbraw/zinc/91/07/83/357910783.db2.gz HIYCLLNAYVBCFV-UHFFFAOYSA-N -1 3 238.276 0.362 20 0 BCADHM CSc1nc(NC(=O)Cn2ccnc2)n[n-]1 ZINC000583726799 357910787 /nfs/dbraw/zinc/91/07/87/357910787.db2.gz HIYCLLNAYVBCFV-UHFFFAOYSA-N -1 3 238.276 0.362 20 0 BCADHM C[C@H]([N-]S(C)(=O)=O)c1nc([C@H]2C[C@H]2C)no1 ZINC000546474626 325282282 /nfs/dbraw/zinc/28/22/82/325282282.db2.gz BWOZBFOFSGXTLW-VQVTYTSYSA-N -1 3 245.304 0.803 20 0 BCADHM NC(=O)c1ccc(C(=O)[N-]c2cnns2)o1 ZINC000357091485 181294786 /nfs/dbraw/zinc/29/47/86/181294786.db2.gz AKTXBLXBZBNFLP-UHFFFAOYSA-N -1 3 238.228 0.482 20 0 BCADHM CC[C@@](C)(CN=c1ncnc2[nH][n-]cc1-2)OC ZINC000450718277 202243611 /nfs/dbraw/zinc/24/36/11/202243611.db2.gz SJBSZWCMRKOJFX-NSHDSACASA-N -1 3 235.291 0.953 20 0 BCADHM O=C([O-])[C@@H]1CCCN1C[C@H](O)C(F)(F)F ZINC000073996611 358418702 /nfs/dbraw/zinc/41/87/02/358418702.db2.gz IBNAZJMCNBYRJQ-WDSKDSINSA-N -1 3 227.182 0.459 20 0 BCADHM Cc1cnccc1CNC(=O)c1c[n-]nn1 ZINC000129885639 358600385 /nfs/dbraw/zinc/60/03/85/358600385.db2.gz WSHLLAACJLNSMU-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1cnccc1CNC(=O)c1cnn[n-]1 ZINC000129885639 358600388 /nfs/dbraw/zinc/60/03/88/358600388.db2.gz WSHLLAACJLNSMU-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1cnccc1CNC(=O)c1cn[n-]n1 ZINC000129885639 358600391 /nfs/dbraw/zinc/60/03/91/358600391.db2.gz WSHLLAACJLNSMU-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000048890633 358658787 /nfs/dbraw/zinc/65/87/87/358658787.db2.gz HAZWZQRATBCEBX-UHFFFAOYSA-N -1 3 202.213 0.888 20 0 BCADHM CN1CC[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000048908001 358660977 /nfs/dbraw/zinc/66/09/77/358660977.db2.gz DLAGXAFSFYNAMH-MRVPVSSYSA-N -1 3 246.357 0.731 20 0 BCADHM CNC(=O)CN(C)Cc1nc(C)ccc1[O-] ZINC000132592937 491137131 /nfs/dbraw/zinc/13/71/31/491137131.db2.gz HXPGKHTXYWFEIS-UHFFFAOYSA-N -1 3 223.276 0.273 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000564099566 358874432 /nfs/dbraw/zinc/87/44/32/358874432.db2.gz LSQGTAMAOBIFHG-IAZYJMLFSA-N -1 3 234.255 0.091 20 0 BCADHM COc1ccc([O-])c(C(=O)Nc2nc[nH]n2)c1 ZINC000057378575 358903784 /nfs/dbraw/zinc/90/37/84/358903784.db2.gz VHHBVQVWJVRNQM-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM C[C@@H]1COCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000626671851 359028426 /nfs/dbraw/zinc/02/84/26/359028426.db2.gz NSCMPUPAGTVSOR-SSDOTTSWSA-N -1 3 223.232 0.043 20 0 BCADHM C[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)[C@@H]1CO ZINC000626609953 358983212 /nfs/dbraw/zinc/98/32/12/358983212.db2.gz PJKXNRPDOQPQMG-VXNVDRBHSA-N -1 3 237.259 0.025 20 0 BCADHM O=C(NC1CC(F)(F)C1)c1cc(=O)[n-]cn1 ZINC000626662625 359014079 /nfs/dbraw/zinc/01/40/79/359014079.db2.gz AXGXOHLMGVTRFM-UHFFFAOYSA-N -1 3 229.186 0.710 20 0 BCADHM Cn1cnc2cc([N-]S(C)(=O)=O)ccc21 ZINC000074837673 359131467 /nfs/dbraw/zinc/13/14/67/359131467.db2.gz KOJSSUNGRSTNOF-UHFFFAOYSA-N -1 3 225.273 0.945 20 0 BCADHM COc1ccc(NC(=O)[C@H]2CC(=O)N2)c([O-])c1 ZINC000613832561 363656982 /nfs/dbraw/zinc/65/69/82/363656982.db2.gz CHOBZOBACKIWKV-MRVPVSSYSA-N -1 3 236.227 0.228 20 0 BCADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)C(C)(C)O ZINC000611749246 359441210 /nfs/dbraw/zinc/44/12/10/359441210.db2.gz CAPZTXHYQYDEJA-MRVPVSSYSA-N -1 3 238.287 0.605 20 0 BCADHM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc(=O)[n-]cn1 ZINC000626692339 359473930 /nfs/dbraw/zinc/47/39/30/359473930.db2.gz DRANJHAVCYTCDY-MTBHXBHISA-N -1 3 219.244 0.711 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCc1nnn(C)n1 ZINC000626702648 359505636 /nfs/dbraw/zinc/50/56/36/359505636.db2.gz UUKXIJXCBZWPOD-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM CC(C)N1CCCC[C@@H]1C(=O)NCCC(=O)[O-] ZINC000574988489 359528328 /nfs/dbraw/zinc/52/83/28/359528328.db2.gz AAHBNKWFNVJBNE-SNVBAGLBSA-N -1 3 242.319 0.840 20 0 BCADHM C[C@@H]1C[C@@H](C)N1C(=O)c1cc(=O)[n-]cn1 ZINC000626725505 359581696 /nfs/dbraw/zinc/58/16/96/359581696.db2.gz BAOSOEOSHBWXMZ-RNFRBKRXSA-N -1 3 207.233 0.805 20 0 BCADHM CC(C)(NC(=O)c1cc(=O)[n-]cn1)C(F)F ZINC000626736593 359594284 /nfs/dbraw/zinc/59/42/84/359594284.db2.gz UJBZDEMPNDWSAY-UHFFFAOYSA-N -1 3 231.202 0.956 20 0 BCADHM CC[C@@H](N=c1ncnc2[nH][n-]cc1-2)[C@@H](C)O ZINC000450787150 202265927 /nfs/dbraw/zinc/26/59/27/202265927.db2.gz BDYWYQFHYLSTNP-HTRCEHHLSA-N -1 3 221.264 0.298 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCCF ZINC000612088711 359643962 /nfs/dbraw/zinc/64/39/62/359643962.db2.gz FDIOYHFHXIXRGZ-UHFFFAOYSA-N -1 3 229.211 0.884 20 0 BCADHM CC(=O)NCCNC(=O)c1cccc(C)c1[O-] ZINC000035133963 359649034 /nfs/dbraw/zinc/64/90/34/359649034.db2.gz IAGHNKPTBDOAJF-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM CCOC(=O)c1cc(NC(=O)COC)n[n-]1 ZINC000180932329 366559422 /nfs/dbraw/zinc/55/94/22/366559422.db2.gz ZPLNTBKJBAVGET-UHFFFAOYSA-N -1 3 227.220 0.171 20 0 BCADHM CCOC(=O)c1cc(NC(=O)COC)[n-]n1 ZINC000180932329 366559426 /nfs/dbraw/zinc/55/94/26/366559426.db2.gz ZPLNTBKJBAVGET-UHFFFAOYSA-N -1 3 227.220 0.171 20 0 BCADHM COc1ccc(C(=O)NCC(C)(C)O)c([O-])c1 ZINC000087030160 359895283 /nfs/dbraw/zinc/89/52/83/359895283.db2.gz JJKXGNXVBGJGDU-UHFFFAOYSA-N -1 3 239.271 0.902 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C1)c1ccc(O)cc1[O-] ZINC000612638203 359959948 /nfs/dbraw/zinc/95/99/48/359959948.db2.gz LTESSAUMVURBOC-WRXNHJIOSA-N -1 3 223.228 0.351 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000578843729 366657072 /nfs/dbraw/zinc/65/70/72/366657072.db2.gz VLHWGXNZYVCFGJ-RQJHMYQMSA-N -1 3 249.274 0.149 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000578843729 366657078 /nfs/dbraw/zinc/65/70/78/366657078.db2.gz VLHWGXNZYVCFGJ-RQJHMYQMSA-N -1 3 249.274 0.149 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000578843729 366657084 /nfs/dbraw/zinc/65/70/84/366657084.db2.gz VLHWGXNZYVCFGJ-RQJHMYQMSA-N -1 3 249.274 0.149 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CC(O)(C2CC2)C1 ZINC000089663913 360032181 /nfs/dbraw/zinc/03/21/81/360032181.db2.gz GMMSDDJFTFGCFB-UHFFFAOYSA-N -1 3 249.266 0.695 20 0 BCADHM O=C(NC1(CO)CC1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000612914659 360188751 /nfs/dbraw/zinc/18/87/51/360188751.db2.gz AVTQPMSANIOIFE-UHFFFAOYSA-N -1 3 247.254 0.523 20 0 BCADHM CNC(=O)c1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000095041904 360333663 /nfs/dbraw/zinc/33/36/63/360333663.db2.gz UJVPRGGGYDMGSA-UHFFFAOYSA-N -1 3 245.242 0.417 20 0 BCADHM CCC(=O)CNC(=O)Cc1cncc([O-])c1 ZINC000613132120 360402302 /nfs/dbraw/zinc/40/23/02/360402302.db2.gz QOSFIMNZWGCJJI-UHFFFAOYSA-N -1 3 222.244 0.425 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC1(CO)CCC1 ZINC000613172604 360474947 /nfs/dbraw/zinc/47/49/47/360474947.db2.gz DFHFDCBLUIPSFJ-UHFFFAOYSA-N -1 3 236.271 0.361 20 0 BCADHM O=C([C@H]1CC(=O)N1)N1CCCc2cccc([O-])c21 ZINC000613158762 360456067 /nfs/dbraw/zinc/45/60/67/360456067.db2.gz IWYXPBMGNJECMX-SECBINFHSA-N -1 3 246.266 0.560 20 0 BCADHM CCC1(O)CN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000622027707 370669396 /nfs/dbraw/zinc/66/93/96/370669396.db2.gz GPNHVDKNBXHVGQ-UHFFFAOYSA-N -1 3 240.234 0.523 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CC[C@@H](OC)C2)n[n-]1 ZINC000613196958 360724483 /nfs/dbraw/zinc/72/44/83/360724483.db2.gz XLZVTEMSELIBQT-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CC[C@@H](OC)C2)[n-]1 ZINC000613196958 360724486 /nfs/dbraw/zinc/72/44/86/360724486.db2.gz XLZVTEMSELIBQT-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CC[C@@H](OC)C2)n1 ZINC000613196958 360724493 /nfs/dbraw/zinc/72/44/93/360724493.db2.gz XLZVTEMSELIBQT-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H]2COCCC2=O)c1 ZINC000628869796 360712119 /nfs/dbraw/zinc/71/21/19/360712119.db2.gz NMOBPSPXRSBSEW-JTQLQIEISA-N -1 3 249.266 0.788 20 0 BCADHM CN(Cc1ncc[nH]1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000428133559 200813969 /nfs/dbraw/zinc/81/39/69/200813969.db2.gz YCCMRHZVKCPKCY-UHFFFAOYSA-N -1 3 244.262 0.077 20 0 BCADHM COC[C@@H](C)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629362492 361011390 /nfs/dbraw/zinc/01/13/90/361011390.db2.gz WBFWBPUPVYUGHY-SNVBAGLBSA-N -1 3 244.335 0.502 20 0 BCADHM CCN(CC)CC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424232041 200894307 /nfs/dbraw/zinc/89/43/07/200894307.db2.gz NXEQPQGVXMTLMD-UHFFFAOYSA-N -1 3 244.335 0.945 20 0 BCADHM O=C(Nc1cccc2n[n-]nc21)[C@H]1CCOC1 ZINC000640380444 361190233 /nfs/dbraw/zinc/19/02/33/361190233.db2.gz RWZIWUQYAPPIOE-ZETCQYMHSA-N -1 3 232.243 0.933 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)Cc2cncc([O-])c2)CO1 ZINC000575002089 361288881 /nfs/dbraw/zinc/28/88/81/361288881.db2.gz XFJOHPXOFUICRM-PSASIEDQSA-N -1 3 236.271 0.623 20 0 BCADHM COCC1CN(C(=O)Cc2cncc([O-])c2)C1 ZINC000640565609 361315078 /nfs/dbraw/zinc/31/50/78/361315078.db2.gz TYALKNVNIWBWIO-UHFFFAOYSA-N -1 3 236.271 0.435 20 0 BCADHM COCC1CN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000640567743 361317347 /nfs/dbraw/zinc/31/73/47/361317347.db2.gz RKNTYFKWIVJDGC-UHFFFAOYSA-N -1 3 240.234 0.645 20 0 BCADHM COC[C@@H](OC)C(=O)NCc1ncccc1[O-] ZINC000614255803 363772251 /nfs/dbraw/zinc/77/22/51/363772251.db2.gz WKTNOJFIPAXTKN-SNVBAGLBSA-N -1 3 240.259 0.065 20 0 BCADHM O=C([N-]c1cnns1)C(=O)N1CCCC1 ZINC000429688439 201127336 /nfs/dbraw/zinc/12/73/36/201127336.db2.gz BQLDILRZHDFPPI-UHFFFAOYSA-N -1 3 226.261 0.099 20 0 BCADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000632630987 361455119 /nfs/dbraw/zinc/45/51/19/361455119.db2.gz SNJBNTODVOBCQS-RNFRBKRXSA-N -1 3 215.278 0.107 20 0 BCADHM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1c[n-]nn1 ZINC000152380237 201197317 /nfs/dbraw/zinc/19/73/17/201197317.db2.gz HYJNKHPDOOTVID-QMMMGPOBSA-N -1 3 246.270 0.871 20 0 BCADHM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cnn[n-]1 ZINC000152380237 201197320 /nfs/dbraw/zinc/19/73/20/201197320.db2.gz HYJNKHPDOOTVID-QMMMGPOBSA-N -1 3 246.270 0.871 20 0 BCADHM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cn[n-]n1 ZINC000152380237 201197321 /nfs/dbraw/zinc/19/73/21/201197321.db2.gz HYJNKHPDOOTVID-QMMMGPOBSA-N -1 3 246.270 0.871 20 0 BCADHM C/C=C/C[C@H]([N-]S(=O)(=O)CC)C(=O)OCC ZINC000433880610 201197420 /nfs/dbraw/zinc/19/74/20/201197420.db2.gz RYJMJDHRYDGKPM-IYNCYZAOSA-N -1 3 249.332 0.824 20 0 BCADHM C/C=C\C[C@@H]([N-]S(=O)(=O)CC)C(=O)OCC ZINC000433880612 201198430 /nfs/dbraw/zinc/19/84/30/201198430.db2.gz RYJMJDHRYDGKPM-WQAKUFEDSA-N -1 3 249.332 0.824 20 0 BCADHM COC(=O)c1cc(C(=O)Nc2cnn(C)c2)c[n-]1 ZINC000431939922 192928642 /nfs/dbraw/zinc/92/86/42/192928642.db2.gz RXRGRDJXGBJJPZ-UHFFFAOYSA-N -1 3 248.242 0.787 20 0 BCADHM Cc1cc(CS(=O)(=O)[N-]CCF)on1 ZINC000435641538 201278567 /nfs/dbraw/zinc/27/85/67/201278567.db2.gz KQUKOZPWKVZUEU-UHFFFAOYSA-N -1 3 222.241 0.372 20 0 BCADHM CC(=O)c1ccc(C(=O)NCCCO)cc1[O-] ZINC000436527105 201331728 /nfs/dbraw/zinc/33/17/28/201331728.db2.gz CDXORMAVAIFCSH-UHFFFAOYSA-N -1 3 237.255 0.707 20 0 BCADHM COc1cc(NC(=O)c2cnn[n-]2)ccc1O ZINC000438098587 201388339 /nfs/dbraw/zinc/38/83/39/201388339.db2.gz PWTSNUKAMUOOPK-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COc1cc(NC(=O)c2c[n-]nn2)ccc1O ZINC000438098587 201388342 /nfs/dbraw/zinc/38/83/42/201388342.db2.gz PWTSNUKAMUOOPK-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COc1cc(NC(=O)c2cn[n-]n2)ccc1O ZINC000438098587 201388346 /nfs/dbraw/zinc/38/83/46/201388346.db2.gz PWTSNUKAMUOOPK-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H]1CC1(F)F ZINC000614914334 364069905 /nfs/dbraw/zinc/06/99/05/364069905.db2.gz GJWPUDMDYZETKN-SSDOTTSWSA-N -1 3 245.229 0.414 20 0 BCADHM O=C(Nc1ncc(CCO)s1)c1nc[n-]n1 ZINC000614911891 364054530 /nfs/dbraw/zinc/05/45/30/364054530.db2.gz BKQCTWMMFGSFRB-UHFFFAOYSA-N -1 3 239.260 0.048 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cocn1 ZINC000614922122 364092749 /nfs/dbraw/zinc/09/27/49/364092749.db2.gz XSSQJIBEDUZLNI-UHFFFAOYSA-N -1 3 236.231 0.061 20 0 BCADHM O[C@H](CCN=c1ncnc2[nH][n-]cc1-2)C(F)F ZINC000630385030 364097677 /nfs/dbraw/zinc/09/76/77/364097677.db2.gz JBUUFCGYAVEXJL-ZCFIWIBFSA-N -1 3 243.217 0.154 20 0 BCADHM C[C@@H](O)CS(=O)(=O)c1ncc(C(C)(C)C)[n-]1 ZINC000630437075 364165397 /nfs/dbraw/zinc/16/53/97/364165397.db2.gz WVGSPNKCLYDQLP-SSDOTTSWSA-N -1 3 246.332 0.862 20 0 BCADHM C[C@@H](O)CS(=O)(=O)c1nc(C(C)(C)C)c[n-]1 ZINC000630437075 364165401 /nfs/dbraw/zinc/16/54/01/364165401.db2.gz WVGSPNKCLYDQLP-SSDOTTSWSA-N -1 3 246.332 0.862 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@H](C)NCC ZINC000630571994 364268563 /nfs/dbraw/zinc/26/85/63/364268563.db2.gz WDJLRBAKUFRMGV-QMMMGPOBSA-N -1 3 216.281 0.308 20 0 BCADHM CCN[C@@H](C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000630574463 364270708 /nfs/dbraw/zinc/27/07/08/364270708.db2.gz QJLVBEWRQYETSI-VHSXEESVSA-N -1 3 244.335 0.848 20 0 BCADHM CCC1(C(=O)[N-]c2nnc3[nH]cnn23)CC1 ZINC000614990646 364280228 /nfs/dbraw/zinc/28/02/28/364280228.db2.gz DRQGWGMWSQWTNC-UHFFFAOYSA-N -1 3 220.236 0.581 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1CC12CCCC2 ZINC000614990711 364281614 /nfs/dbraw/zinc/28/16/14/364281614.db2.gz GUSICIZHDNHRAY-ZETCQYMHSA-N -1 3 246.274 0.971 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614993948 364287283 /nfs/dbraw/zinc/28/72/83/364287283.db2.gz LXDBAZWUQVCVSX-RFZPGFLSSA-N -1 3 206.209 0.047 20 0 BCADHM COc1cnccc1CNC(=O)c1c[n-]nn1 ZINC000579549802 366863632 /nfs/dbraw/zinc/86/36/32/366863632.db2.gz LHJSRADMHQRPRJ-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1cnccc1CNC(=O)c1cnn[n-]1 ZINC000579549802 366863635 /nfs/dbraw/zinc/86/36/35/366863635.db2.gz LHJSRADMHQRPRJ-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1cnccc1CNC(=O)c1cn[n-]n1 ZINC000579549802 366863639 /nfs/dbraw/zinc/86/36/39/366863639.db2.gz LHJSRADMHQRPRJ-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CCCO1 ZINC000155825650 364740995 /nfs/dbraw/zinc/74/09/95/364740995.db2.gz NRUKRERRRXIMKY-NSCUHMNNSA-N -1 3 220.228 0.964 20 0 BCADHM CN1CC[C@H]([N-]S(=O)(=O)c2cscn2)C1 ZINC000573365700 364803234 /nfs/dbraw/zinc/80/32/34/364803234.db2.gz SYUZJKXBFCGRKR-ZETCQYMHSA-N -1 3 247.345 0.126 20 0 BCADHM O=C(Cc1ccon1)Nc1ncccc1[O-] ZINC000157099510 364754450 /nfs/dbraw/zinc/75/44/50/364754450.db2.gz QYRFNELMCXGGEO-UHFFFAOYSA-N -1 3 219.200 0.956 20 0 BCADHM CCN(C(=O)Cc1cncc([O-])c1)[C@@H](C)CO ZINC000615372338 364756462 /nfs/dbraw/zinc/75/64/62/364756462.db2.gz YHRWESYVVLRCNS-VIFPVBQESA-N -1 3 238.287 0.559 20 0 BCADHM O=C([O-])[C@@H]1COCCN1C[C@@H]1CCCC[C@H]1O ZINC000328318118 364826908 /nfs/dbraw/zinc/82/69/08/364826908.db2.gz CZFGOOJBDLWHNX-GARJFASQSA-N -1 3 243.303 0.323 20 0 BCADHM C[C@@H]1CN(CC2(C(=O)[O-])CC2)[C@@H](C)CO1 ZINC000573689489 364894122 /nfs/dbraw/zinc/89/41/22/364894122.db2.gz NBANLMXQDZMTQR-DTWKUNHWSA-N -1 3 213.277 0.960 20 0 BCADHM CCN1CCCC[C@@H]1C(=O)N(C)CCC(=O)[O-] ZINC000573965799 364955565 /nfs/dbraw/zinc/95/55/65/364955565.db2.gz GZPAWZZAZZUYSF-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM CCN1CCCC[C@H]1C(=O)N(C)CCC(=O)[O-] ZINC000573965798 364955887 /nfs/dbraw/zinc/95/58/87/364955887.db2.gz GZPAWZZAZZUYSF-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM COc1ccc(NC(=O)c2cnnn2C)c([O-])c1 ZINC000337100212 541429993 /nfs/dbraw/zinc/42/99/93/541429993.db2.gz POBQUSZDGJFWHX-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM C[C@@]1(O)CCN(C(=O)Cc2cncc([O-])c2)C1 ZINC000574474589 365070442 /nfs/dbraw/zinc/07/04/42/365070442.db2.gz SUVFTKAJWSHSEL-GFCCVEGCSA-N -1 3 236.271 0.313 20 0 BCADHM [O-]c1cccnc1CSC[C@@H](O)CO ZINC000574585582 365098104 /nfs/dbraw/zinc/09/81/04/365098104.db2.gz ZIPRKFCUFNLKIB-ZETCQYMHSA-N -1 3 215.274 0.374 20 0 BCADHM C[C@H]1SCCN(CCOCC(=O)[O-])[C@@H]1C ZINC000574763195 365138489 /nfs/dbraw/zinc/13/84/89/365138489.db2.gz MZUPPWBQKIVDFN-RKDXNWHRSA-N -1 3 233.333 0.913 20 0 BCADHM CC1(Cn2cc(Cl)c(=O)[n-]c2=O)COC1 ZINC000443402618 193019620 /nfs/dbraw/zinc/01/96/20/193019620.db2.gz YVWGHOTXSNIUSC-UHFFFAOYSA-N -1 3 230.651 0.639 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CCCCOC)n1 ZINC000444445306 193047348 /nfs/dbraw/zinc/04/73/48/193047348.db2.gz GYBNTHAMGNUMOR-UHFFFAOYSA-N -1 3 247.320 0.567 20 0 BCADHM CCc1nnc(S(=O)(=O)CCCCOC)[n-]1 ZINC000444445306 193047351 /nfs/dbraw/zinc/04/73/51/193047351.db2.gz GYBNTHAMGNUMOR-UHFFFAOYSA-N -1 3 247.320 0.567 20 0 BCADHM CC[C@H](CN1C[C@@H](OC)C[C@H]1C(=O)[O-])OC ZINC000575412456 365313682 /nfs/dbraw/zinc/31/36/82/365313682.db2.gz AEPJNKHZALMCOP-UTLUCORTSA-N -1 3 231.292 0.585 20 0 BCADHM COc1cc(C(=O)[N-]c2cc[nH]n2)on1 ZINC000182134785 366870312 /nfs/dbraw/zinc/87/03/12/366870312.db2.gz XLEJRNUJPJTTMC-UHFFFAOYSA-N -1 3 208.177 0.659 20 0 BCADHM CCOC(=O)[C@@H]([N-]S(C)(=O)=O)[C@H](C)CC ZINC000173962098 365459841 /nfs/dbraw/zinc/45/98/41/365459841.db2.gz HABFQTUMWMFCHN-SFYZADRCSA-N -1 3 237.321 0.513 20 0 BCADHM O=C([O-])c1cnccc1N[C@H]1CC[C@@H](CO)C1 ZINC000576043275 365460702 /nfs/dbraw/zinc/46/07/02/365460702.db2.gz KFPJQGXBQBPICM-BDAKNGLRSA-N -1 3 236.271 0.775 20 0 BCADHM CC(C)[C@@H](O)CNC(=O)c1cccc2nn[n-]c21 ZINC000182804962 366943435 /nfs/dbraw/zinc/94/34/35/366943435.db2.gz STVKNWGJZRWSIE-JTQLQIEISA-N -1 3 248.286 0.705 20 0 BCADHM CC(C)[C@@H](O)CNC(=O)c1cccc2[n-]nnc21 ZINC000182804962 366943441 /nfs/dbraw/zinc/94/34/41/366943441.db2.gz STVKNWGJZRWSIE-JTQLQIEISA-N -1 3 248.286 0.705 20 0 BCADHM CC(C)[C@@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC000182804962 366943443 /nfs/dbraw/zinc/94/34/43/366943443.db2.gz STVKNWGJZRWSIE-JTQLQIEISA-N -1 3 248.286 0.705 20 0 BCADHM COCCCNC(=O)c1cccc2nn[n-]c21 ZINC000182675758 366930900 /nfs/dbraw/zinc/93/09/00/366930900.db2.gz DWWXRJJNWOPGLL-UHFFFAOYSA-N -1 3 234.259 0.724 20 0 BCADHM COCCCNC(=O)c1cccc2[n-]nnc21 ZINC000182675758 366930905 /nfs/dbraw/zinc/93/09/05/366930905.db2.gz DWWXRJJNWOPGLL-UHFFFAOYSA-N -1 3 234.259 0.724 20 0 BCADHM COCCCNC(=O)c1cccc2n[n-]nc21 ZINC000182675758 366930909 /nfs/dbraw/zinc/93/09/09/366930909.db2.gz DWWXRJJNWOPGLL-UHFFFAOYSA-N -1 3 234.259 0.724 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1C[C@@H]1C ZINC000176052808 541500766 /nfs/dbraw/zinc/50/07/66/541500766.db2.gz HHZOEPIRTGHLMR-NJGYIYPDSA-N -1 3 223.232 0.791 20 0 BCADHM CCC[C@H](C)S(=O)(=O)[N-]Cc1nc(C)no1 ZINC000580777838 367163284 /nfs/dbraw/zinc/16/32/84/367163284.db2.gz KGLCUTLZNYLHFF-ZETCQYMHSA-N -1 3 247.320 0.986 20 0 BCADHM CN(CCO)C(=O)Cc1ccc([O-])c(F)c1 ZINC000622300656 370830819 /nfs/dbraw/zinc/83/08/19/370830819.db2.gz WUGYXFRUGAAXBD-UHFFFAOYSA-N -1 3 227.235 0.525 20 0 BCADHM C[C@@H](C(=O)NCc1ncccc1[O-])N1CC(C)C1 ZINC000581141486 367276328 /nfs/dbraw/zinc/27/63/28/367276328.db2.gz VZQCDLZRTIUIPP-JTQLQIEISA-N -1 3 249.314 0.744 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]Cc1cc(C)on1 ZINC000581065543 367250082 /nfs/dbraw/zinc/25/00/82/367250082.db2.gz YDXQACSQDGICSL-QMMMGPOBSA-N -1 3 248.304 0.437 20 0 BCADHM O=C(Nc1cccc2c1OCCO2)c1cnn[n-]1 ZINC000194512085 367300811 /nfs/dbraw/zinc/30/08/11/367300811.db2.gz IKHSDJLZVQXECC-UHFFFAOYSA-N -1 3 246.226 0.828 20 0 BCADHM O=C(Nc1cccc2c1OCCO2)c1c[n-]nn1 ZINC000194512085 367300819 /nfs/dbraw/zinc/30/08/19/367300819.db2.gz IKHSDJLZVQXECC-UHFFFAOYSA-N -1 3 246.226 0.828 20 0 BCADHM O=C(Nc1cccc2c1OCCO2)c1cn[n-]n1 ZINC000194512085 367300824 /nfs/dbraw/zinc/30/08/24/367300824.db2.gz IKHSDJLZVQXECC-UHFFFAOYSA-N -1 3 246.226 0.828 20 0 BCADHM Cn1ccc(CC(=O)NCc2ncccc2[O-])n1 ZINC000581404157 367433137 /nfs/dbraw/zinc/43/31/37/367433137.db2.gz DGQUPOGZZOXIOW-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@H](C)NC1CC1 ZINC000382914668 367567047 /nfs/dbraw/zinc/56/70/47/367567047.db2.gz AQPOTCHDKQMGNG-QMMMGPOBSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(O)cc1[O-] ZINC000384855335 367744072 /nfs/dbraw/zinc/74/40/72/367744072.db2.gz DRYAQMRFXUFMHW-VXNVDRBHSA-N -1 3 237.255 0.693 20 0 BCADHM N[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000581895043 367885610 /nfs/dbraw/zinc/88/56/10/367885610.db2.gz QADDMFAWNUYNFM-DTWKUNHWSA-N -1 3 220.228 0.671 20 0 BCADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])[C@@H](C)O ZINC000387223462 368115974 /nfs/dbraw/zinc/11/59/74/368115974.db2.gz ZVPATSRCZYTWPV-XCBNKYQSSA-N -1 3 239.271 0.987 20 0 BCADHM O=C([O-])c1cnccc1N[C@@H]1CC[S@](=O)C1 ZINC000582005585 368128370 /nfs/dbraw/zinc/12/83/70/368128370.db2.gz APFDDFCDBYUCLB-QZTNRIJFSA-N -1 3 240.284 0.135 20 0 BCADHM COc1ccc(C(=O)N2CCOC2)c([O-])c1 ZINC000615753792 368258736 /nfs/dbraw/zinc/25/87/36/368258736.db2.gz RRRMSPIFKLYGTF-UHFFFAOYSA-N -1 3 223.228 0.831 20 0 BCADHM CC(C)[C@H]1CN(CCOCC(=O)[O-])CCCO1 ZINC000566510254 326060946 /nfs/dbraw/zinc/06/09/46/326060946.db2.gz MXQSWPOEXKLEHA-LLVKDONJSA-N -1 3 245.319 0.835 20 0 BCADHM CCO[C@H](C)C(=O)NN=c1nc(C)cc(C)[n-]1 ZINC000058819085 368522014 /nfs/dbraw/zinc/52/20/14/368522014.db2.gz FMNWQIGSZYEQFD-SECBINFHSA-N -1 3 238.291 0.962 20 0 BCADHM CCO[C@H](C)C(=O)NN=c1nc(OC)cc[n-]1 ZINC000066484496 368651464 /nfs/dbraw/zinc/65/14/64/368651464.db2.gz GGGTWUUSFHZLDJ-SSDOTTSWSA-N -1 3 240.263 0.353 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCC12COC2 ZINC000615924302 368677374 /nfs/dbraw/zinc/67/73/74/368677374.db2.gz WAENNIKPIMYXMX-UHFFFAOYSA-N -1 3 235.239 0.713 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H](O)C1 ZINC000622408112 370903840 /nfs/dbraw/zinc/90/38/40/370903840.db2.gz KKSIIAGREGBJMO-SECBINFHSA-N -1 3 239.246 0.667 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CC(C)(C)C)c1 ZINC000069115018 368746647 /nfs/dbraw/zinc/74/66/47/368746647.db2.gz WRNNEZDEAAKKRR-UHFFFAOYSA-N -1 3 231.321 0.745 20 0 BCADHM CCC(C)(C)OCC(=O)Nc1n[n-]c(OC)n1 ZINC000457717287 203093245 /nfs/dbraw/zinc/09/32/45/203093245.db2.gz VHMWUTSGGBRQLN-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM CCC(C)(C)OCC(=O)Nc1nnc(OC)[n-]1 ZINC000457717287 203093249 /nfs/dbraw/zinc/09/32/49/203093249.db2.gz VHMWUTSGGBRQLN-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM CCC(C)(C)OCC(=O)Nc1nc(OC)n[n-]1 ZINC000457717287 203093251 /nfs/dbraw/zinc/09/32/51/203093251.db2.gz VHMWUTSGGBRQLN-UHFFFAOYSA-N -1 3 242.279 0.957 20 0 BCADHM CC[C@H]1CN(c2ccncc2C(=O)[O-])C[C@H]1O ZINC000400473011 369349370 /nfs/dbraw/zinc/34/93/70/369349370.db2.gz YRMGVLRKWGVLHU-GZMMTYOYSA-N -1 3 236.271 0.987 20 0 BCADHM CO[C@H](CNC(=O)c1c[n-]nn1)C1CCCC1 ZINC000620172916 369757237 /nfs/dbraw/zinc/75/72/37/369757237.db2.gz ZKAWRJZYTJWKQV-SNVBAGLBSA-N -1 3 238.291 0.740 20 0 BCADHM CO[C@H](CNC(=O)c1cnn[n-]1)C1CCCC1 ZINC000620172916 369757241 /nfs/dbraw/zinc/75/72/41/369757241.db2.gz ZKAWRJZYTJWKQV-SNVBAGLBSA-N -1 3 238.291 0.740 20 0 BCADHM CO[C@H](CNC(=O)c1cn[n-]n1)C1CCCC1 ZINC000620172916 369757244 /nfs/dbraw/zinc/75/72/44/369757244.db2.gz ZKAWRJZYTJWKQV-SNVBAGLBSA-N -1 3 238.291 0.740 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCC2(COC2)C1 ZINC000620287315 369804382 /nfs/dbraw/zinc/80/43/82/369804382.db2.gz XFPZCIBBLHDNEZ-UHFFFAOYSA-N -1 3 248.282 0.579 20 0 BCADHM Cn1cc(C(=O)N2CC3CC2(C)C3)c(=O)[n-]c1=O ZINC000621211911 370153279 /nfs/dbraw/zinc/15/32/79/370153279.db2.gz XAIPHPRVHPKQCC-UHFFFAOYSA-N -1 3 249.270 0.110 20 0 BCADHM C[C@H](O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621531893 370381151 /nfs/dbraw/zinc/38/11/51/370381151.db2.gz LKHYSUIVYCSGMW-YFKPBYRVSA-N -1 3 214.196 0.037 20 0 BCADHM C[C@@]1(O)CCN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000621900652 370590432 /nfs/dbraw/zinc/59/04/32/370590432.db2.gz CZMZBFXFIJWRJY-LLVKDONJSA-N -1 3 240.234 0.523 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCC[C@@H]1CO ZINC000621961030 370622441 /nfs/dbraw/zinc/62/24/41/370622441.db2.gz RQKAJLBMOLMFQG-MRVPVSSYSA-N -1 3 240.234 0.523 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C12CC(C1)C2 ZINC000627375838 371593677 /nfs/dbraw/zinc/59/36/77/371593677.db2.gz HOIQHPVZIXDPGI-UHFFFAOYSA-N -1 3 218.220 0.191 20 0 BCADHM COC[C@H]1CCN1C(=O)c1cc(=O)[n-]cn1 ZINC000627523245 371678551 /nfs/dbraw/zinc/67/85/51/371678551.db2.gz WTPQJXQZYVSFBW-SSDOTTSWSA-N -1 3 223.232 0.043 20 0 BCADHM O=C(NCC1CC(F)(F)C1)c1cc(=O)[n-]cn1 ZINC000627467874 371637890 /nfs/dbraw/zinc/63/78/90/371637890.db2.gz AYTOGRQFIYYGNE-UHFFFAOYSA-N -1 3 243.213 0.957 20 0 BCADHM CCC[C@@H](CNC(=O)c1cc(=O)[n-]cn1)OC ZINC000627566398 371716590 /nfs/dbraw/zinc/71/65/90/371716590.db2.gz ZGKBIGXSESFBNJ-QMMMGPOBSA-N -1 3 239.275 0.727 20 0 BCADHM CO[C@H](CNC(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000627539126 371693296 /nfs/dbraw/zinc/69/32/96/371693296.db2.gz DLUSIHICVZRPTA-SECBINFHSA-N -1 3 237.259 0.337 20 0 BCADHM CC[C@H](NC(=O)c1cc(=O)[n-]cn1)C(C)(C)O ZINC000627540618 371693449 /nfs/dbraw/zinc/69/34/49/371693449.db2.gz QFDWXCJXGXZVAU-QMMMGPOBSA-N -1 3 239.275 0.462 20 0 BCADHM C[C@@H]1[C@H](O)CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000627610561 371779388 /nfs/dbraw/zinc/77/93/88/371779388.db2.gz WHVBUBMDWKXSNR-VXNVDRBHSA-N -1 3 237.259 0.168 20 0 BCADHM C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)[C@@H]1C(=O)[O-] ZINC000573220596 326436344 /nfs/dbraw/zinc/43/63/44/326436344.db2.gz GTNLYZSNWVBEFS-KZVJFYERSA-N -1 3 226.276 0.045 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1C(N)=O ZINC000627641798 371801322 /nfs/dbraw/zinc/80/13/22/371801322.db2.gz RYYMLADOAYNTDY-SECBINFHSA-N -1 3 248.282 0.791 20 0 BCADHM CC1(C)COC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627663267 371821046 /nfs/dbraw/zinc/82/10/46/371821046.db2.gz WYRBCMTYDZPXQL-QMMMGPOBSA-N -1 3 237.259 0.337 20 0 BCADHM O=C(N[C@H]1CCC[C@H]1CO)c1cc(=O)[n-]cn1 ZINC000627680520 371838637 /nfs/dbraw/zinc/83/86/37/371838637.db2.gz NTJXQWNUCOCEDY-YUMQZZPRSA-N -1 3 237.259 0.073 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)CS1 ZINC000627748218 371939680 /nfs/dbraw/zinc/93/96/80/371939680.db2.gz TWODHTZVDNHYSM-RQJHMYQMSA-N -1 3 239.300 0.806 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)CS1 ZINC000627748217 371939751 /nfs/dbraw/zinc/93/97/51/371939751.db2.gz TWODHTZVDNHYSM-RNFRBKRXSA-N -1 3 239.300 0.806 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)CS1 ZINC000627748215 371939952 /nfs/dbraw/zinc/93/99/52/371939952.db2.gz TWODHTZVDNHYSM-BQBZGAKWSA-N -1 3 239.300 0.806 20 0 BCADHM O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1c[n-]nn1 ZINC000230320841 371891382 /nfs/dbraw/zinc/89/13/82/371891382.db2.gz CATXGFONFWKWIY-VXNVDRBHSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1cnn[n-]1 ZINC000230320841 371891390 /nfs/dbraw/zinc/89/13/90/371891390.db2.gz CATXGFONFWKWIY-VXNVDRBHSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1cn[n-]n1 ZINC000230320841 371891398 /nfs/dbraw/zinc/89/13/98/371891398.db2.gz CATXGFONFWKWIY-VXNVDRBHSA-N -1 3 222.248 0.102 20 0 BCADHM COC[C@@](C)(CO)NCc1nc(C)ccc1[O-] ZINC000631205278 372235142 /nfs/dbraw/zinc/23/51/42/372235142.db2.gz ZFKJMZXMKGTURF-GFCCVEGCSA-N -1 3 240.303 0.583 20 0 BCADHM CCCC[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631639523 372475605 /nfs/dbraw/zinc/47/56/05/372475605.db2.gz PJPPWRARODEZDO-UHFFFAOYSA-N -1 3 236.318 0.927 20 0 BCADHM COCCC[N-]S(=O)(=O)c1conc1C ZINC000631638862 372475649 /nfs/dbraw/zinc/47/56/49/372475649.db2.gz SLAZGBZCNXDRAK-UHFFFAOYSA-N -1 3 234.277 0.298 20 0 BCADHM CCOCC[N-]S(=O)(=O)c1conc1C ZINC000631763893 372565049 /nfs/dbraw/zinc/56/50/49/372565049.db2.gz CNBVOPNJGHBHBL-UHFFFAOYSA-N -1 3 234.277 0.298 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1CCCOC1 ZINC000631910588 372693239 /nfs/dbraw/zinc/69/32/39/372693239.db2.gz JFEUAQJATWATJS-MRVPVSSYSA-N -1 3 246.288 0.440 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CC[C@H](C)O ZINC000632001012 372718128 /nfs/dbraw/zinc/71/81/28/372718128.db2.gz DRWMVDPNVOYAMS-LURJTMIESA-N -1 3 234.277 0.032 20 0 BCADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccsc1 ZINC000339981747 182024256 /nfs/dbraw/zinc/02/42/56/182024256.db2.gz XGCHDMYAZGTOQQ-LURJTMIESA-N -1 3 239.256 0.285 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1conc1C)[C@H](C)O ZINC000632414047 372923134 /nfs/dbraw/zinc/92/31/34/372923134.db2.gz QEONVIXVCQXJBC-YUMQZZPRSA-N -1 3 248.304 0.421 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)c2ccccn2)CC1 ZINC000632448552 372951722 /nfs/dbraw/zinc/95/17/22/372951722.db2.gz DENSWFQQEGGRQY-UHFFFAOYSA-N -1 3 240.284 0.482 20 0 BCADHM O=C(C[C@H]1CCCO1)Nc1ccncc1[O-] ZINC000358359071 182028542 /nfs/dbraw/zinc/02/85/42/182028542.db2.gz SZTXQTYSAFFTLY-MRVPVSSYSA-N -1 3 222.244 0.717 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]C1(C(C)=O)CC1 ZINC000632449182 372953787 /nfs/dbraw/zinc/95/37/87/372953787.db2.gz UNVWDYFOQGIZFK-ZETCQYMHSA-N -1 3 235.305 0.062 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)c2cscn2)CC1 ZINC000632446304 372950259 /nfs/dbraw/zinc/95/02/59/372950259.db2.gz BGURXOXMABYAGF-UHFFFAOYSA-N -1 3 246.313 0.543 20 0 BCADHM CC[C@@H](O)C[N-]S(=O)(=O)c1conc1C ZINC000632475432 372964369 /nfs/dbraw/zinc/96/43/69/372964369.db2.gz ZQHPBVUCBKMWSO-SSDOTTSWSA-N -1 3 234.277 0.032 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1nncn1C)C1CC1 ZINC000632559851 373005631 /nfs/dbraw/zinc/00/56/31/373005631.db2.gz ONMKDZKXFNALMN-QMMMGPOBSA-N -1 3 244.320 0.282 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]CC(C)(C)F ZINC000632608341 373029006 /nfs/dbraw/zinc/02/90/06/373029006.db2.gz OJOYLECQMRQPDB-SSDOTTSWSA-N -1 3 227.301 0.689 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C1(C)COC1 ZINC000632664561 373057254 /nfs/dbraw/zinc/05/72/54/373057254.db2.gz JDGNQMSRKZRCCT-UHFFFAOYSA-N -1 3 232.261 0.050 20 0 BCADHM O=C(CCCCO)NCc1ncccc1[O-] ZINC000632806740 373156405 /nfs/dbraw/zinc/15/64/05/373156405.db2.gz VKQGJXJRVMCDKY-UHFFFAOYSA-N -1 3 224.260 0.566 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000356550280 182085411 /nfs/dbraw/zinc/08/54/11/182085411.db2.gz OJXXJGJRCLCRGB-XROYCOCOSA-N -1 3 234.255 0.573 20 0 BCADHM O=C(Nc1cnn(CC2CC2)c1)c1cnn[n-]1 ZINC000173330405 373320053 /nfs/dbraw/zinc/32/00/53/373320053.db2.gz ILVPBXODVWYVKJ-UHFFFAOYSA-N -1 3 232.247 0.664 20 0 BCADHM O=C(Nc1cnn(CC2CC2)c1)c1c[n-]nn1 ZINC000173330405 373320065 /nfs/dbraw/zinc/32/00/65/373320065.db2.gz ILVPBXODVWYVKJ-UHFFFAOYSA-N -1 3 232.247 0.664 20 0 BCADHM O=C(Nc1cnn(CC2CC2)c1)c1cn[n-]n1 ZINC000173330405 373320071 /nfs/dbraw/zinc/32/00/71/373320071.db2.gz ILVPBXODVWYVKJ-UHFFFAOYSA-N -1 3 232.247 0.664 20 0 BCADHM O=C(NC1CC1)c1ccc2n[n-]nc2c1 ZINC000053397923 182099653 /nfs/dbraw/zinc/09/96/53/182099653.db2.gz LXKGREYIQUTRSW-UHFFFAOYSA-N -1 3 202.217 0.850 20 0 BCADHM O=C(NCC(F)F)c1csc(=O)[n-]1 ZINC000307410326 182126158 /nfs/dbraw/zinc/12/61/58/182126158.db2.gz ONYWIRFMJSZAQP-UHFFFAOYSA-N -1 3 208.189 0.431 20 0 BCADHM CCN1CN(C(=O)c2ccc(C)cc2[O-])CC1=O ZINC000190511512 259565482 /nfs/dbraw/zinc/56/54/82/259565482.db2.gz WWHJWVPHIHYDBF-UHFFFAOYSA-N -1 3 248.282 0.962 20 0 BCADHM CC1(CC(=O)NCc2cc(=O)[n-]c(=O)[nH]2)CC1 ZINC000633521425 373582980 /nfs/dbraw/zinc/58/29/80/373582980.db2.gz QPFORCIEYDUXJP-UHFFFAOYSA-N -1 3 237.259 0.694 20 0 BCADHM CCC[C@@H](C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521080 373583124 /nfs/dbraw/zinc/58/31/24/373583124.db2.gz HMZXGYXCTGNVEW-SSDOTTSWSA-N -1 3 239.275 0.940 20 0 BCADHM CC[C@@H](C)CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521257 373583706 /nfs/dbraw/zinc/58/37/06/373583706.db2.gz OCIHRNLZBCASBY-SSDOTTSWSA-N -1 3 239.275 0.940 20 0 BCADHM C[C@H](NCc1nc(=O)n(C)[n-]1)C1CCCC1 ZINC000381031628 373770624 /nfs/dbraw/zinc/77/06/24/373770624.db2.gz ALYXDDFXNBWLHE-QMMMGPOBSA-N -1 3 224.308 0.777 20 0 BCADHM O=C(NCCCOC(F)F)c1c[n-]nn1 ZINC000338158912 182173324 /nfs/dbraw/zinc/17/33/24/182173324.db2.gz XUCUDZJKDRRGFP-UHFFFAOYSA-N -1 3 220.179 0.164 20 0 BCADHM O=C(NCCCOC(F)F)c1cnn[n-]1 ZINC000338158912 182173326 /nfs/dbraw/zinc/17/33/26/182173326.db2.gz XUCUDZJKDRRGFP-UHFFFAOYSA-N -1 3 220.179 0.164 20 0 BCADHM O=C(NCCCOC(F)F)c1cn[n-]n1 ZINC000338158912 182173328 /nfs/dbraw/zinc/17/33/28/182173328.db2.gz XUCUDZJKDRRGFP-UHFFFAOYSA-N -1 3 220.179 0.164 20 0 BCADHM O=C(N[C@H]1C[C@@H](CO)C1)c1cccc([O-])c1 ZINC000633841448 373804440 /nfs/dbraw/zinc/80/44/40/373804440.db2.gz BBPSACZTXIJQNY-WAAGHKOSSA-N -1 3 221.256 0.893 20 0 BCADHM O=C(Nc1cnn2c1CCCC2)c1nc[n-]n1 ZINC000634220362 374040692 /nfs/dbraw/zinc/04/06/92/374040692.db2.gz UADDPVXGDXMVLH-UHFFFAOYSA-N -1 3 232.247 0.590 20 0 BCADHM O=C(NC[C@@H](O)C1CCCCC1)c1c[n-]nn1 ZINC000170805111 182220660 /nfs/dbraw/zinc/22/06/60/182220660.db2.gz LHGFRRPYMVBJHQ-SNVBAGLBSA-N -1 3 238.291 0.476 20 0 BCADHM O=C(NC[C@@H](O)C1CCCCC1)c1cnn[n-]1 ZINC000170805111 182220662 /nfs/dbraw/zinc/22/06/62/182220662.db2.gz LHGFRRPYMVBJHQ-SNVBAGLBSA-N -1 3 238.291 0.476 20 0 BCADHM O=C(NC[C@@H](O)C1CCCCC1)c1cn[n-]n1 ZINC000170805111 182220663 /nfs/dbraw/zinc/22/06/63/182220663.db2.gz LHGFRRPYMVBJHQ-SNVBAGLBSA-N -1 3 238.291 0.476 20 0 BCADHM O=C(NC[C@H](CO)c1ccccc1)c1c[n-]nn1 ZINC000151739760 182231247 /nfs/dbraw/zinc/23/12/47/182231247.db2.gz KUSFOWRTWZKYPQ-SNVBAGLBSA-N -1 3 246.270 0.311 20 0 BCADHM O=C(NC[C@H](CO)c1ccccc1)c1cnn[n-]1 ZINC000151739760 182231249 /nfs/dbraw/zinc/23/12/49/182231249.db2.gz KUSFOWRTWZKYPQ-SNVBAGLBSA-N -1 3 246.270 0.311 20 0 BCADHM O=C(NC[C@H](CO)c1ccccc1)c1cn[n-]n1 ZINC000151739760 182231251 /nfs/dbraw/zinc/23/12/51/182231251.db2.gz KUSFOWRTWZKYPQ-SNVBAGLBSA-N -1 3 246.270 0.311 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1c[n-]nn1 ZINC000333235316 182230288 /nfs/dbraw/zinc/23/02/88/182230288.db2.gz CVPFJLOVIPHDMG-IUCAKERBSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cnn[n-]1 ZINC000333235316 182230290 /nfs/dbraw/zinc/23/02/90/182230290.db2.gz CVPFJLOVIPHDMG-IUCAKERBSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cn[n-]n1 ZINC000333235316 182230291 /nfs/dbraw/zinc/23/02/91/182230291.db2.gz CVPFJLOVIPHDMG-IUCAKERBSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NC[C@H]1COCCO1)c1ccccc1[O-] ZINC000038057473 182246207 /nfs/dbraw/zinc/24/62/07/182246207.db2.gz GELNDHDZGPICAY-VIFPVBQESA-N -1 3 237.255 0.537 20 0 BCADHM O=C(NCc1ncccc1[O-])NCC(F)F ZINC000354266954 182273189 /nfs/dbraw/zinc/27/31/89/182273189.db2.gz SSHWBDKGHHCBHK-UHFFFAOYSA-N -1 3 231.202 0.852 20 0 BCADHM O=C(NCc1ncccc1[O-])c1ccnnc1 ZINC000352518780 182273254 /nfs/dbraw/zinc/27/32/54/182273254.db2.gz ZHWCNSOHXABIFF-UHFFFAOYSA-N -1 3 230.227 0.507 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@H]1CCCOC1 ZINC000352501130 182273489 /nfs/dbraw/zinc/27/34/89/182273489.db2.gz MSDDMLRYUCGXMO-VIFPVBQESA-N -1 3 236.271 0.830 20 0 BCADHM O=C(NCc1ncccc1[O-])c1csnn1 ZINC000352510950 182274557 /nfs/dbraw/zinc/27/45/57/182274557.db2.gz VWEXUASWQPJNEY-UHFFFAOYSA-N -1 3 236.256 0.569 20 0 BCADHM O=C(NCc1cn2ccccc2n1)c1c[n-]nn1 ZINC000341799551 182268303 /nfs/dbraw/zinc/26/83/03/182268303.db2.gz NEMLKXFVFSCWTM-UHFFFAOYSA-N -1 3 242.242 0.382 20 0 BCADHM O=C(NCc1cn2ccccc2n1)c1cn[n-]n1 ZINC000341799551 182268308 /nfs/dbraw/zinc/26/83/08/182268308.db2.gz NEMLKXFVFSCWTM-UHFFFAOYSA-N -1 3 242.242 0.382 20 0 BCADHM O=C(NCc1cn2ccccc2n1)c1cnn[n-]1 ZINC000341799551 182268310 /nfs/dbraw/zinc/26/83/10/182268310.db2.gz NEMLKXFVFSCWTM-UHFFFAOYSA-N -1 3 242.242 0.382 20 0 BCADHM O=C(N[C@@H](CCO)c1ccccc1)c1c[n-]nn1 ZINC000128693011 182286375 /nfs/dbraw/zinc/28/63/75/182286375.db2.gz QMADGBAAYFGZQW-JTQLQIEISA-N -1 3 246.270 0.658 20 0 BCADHM O=C(N[C@@H](CCO)c1ccccc1)c1cnn[n-]1 ZINC000128693011 182286377 /nfs/dbraw/zinc/28/63/77/182286377.db2.gz QMADGBAAYFGZQW-JTQLQIEISA-N -1 3 246.270 0.658 20 0 BCADHM O=C(N[C@@H](CCO)c1ccccc1)c1cn[n-]n1 ZINC000128693011 182286380 /nfs/dbraw/zinc/28/63/80/182286380.db2.gz QMADGBAAYFGZQW-JTQLQIEISA-N -1 3 246.270 0.658 20 0 BCADHM O=C([N-]N1CCCNC1=O)c1c[nH]nc1C1CC1 ZINC000276916176 182277694 /nfs/dbraw/zinc/27/76/94/182277694.db2.gz SAABPBFHUHVXAP-UHFFFAOYSA-N -1 3 249.274 0.347 20 0 BCADHM O=C(NN1CCCNC1=O)c1cccc([O-])c1 ZINC000272996481 182278135 /nfs/dbraw/zinc/27/81/35/182278135.db2.gz YCVASAMSGRRJFX-UHFFFAOYSA-N -1 3 235.243 0.452 20 0 BCADHM O=C(NN1CCCNC1=O)c1ccccc1[O-] ZINC000272633116 182278293 /nfs/dbraw/zinc/27/82/93/182278293.db2.gz XAIBGEHCPKWRIY-UHFFFAOYSA-N -1 3 235.243 0.452 20 0 BCADHM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1c[n-]nn1 ZINC000130589745 182321013 /nfs/dbraw/zinc/32/10/13/182321013.db2.gz ZEBKZBMHSYFXEW-MVWJERBFSA-N -1 3 240.266 0.873 20 0 BCADHM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cnn[n-]1 ZINC000130589745 182321018 /nfs/dbraw/zinc/32/10/18/182321018.db2.gz ZEBKZBMHSYFXEW-MVWJERBFSA-N -1 3 240.266 0.873 20 0 BCADHM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cn[n-]n1 ZINC000130589745 182321020 /nfs/dbraw/zinc/32/10/20/182321020.db2.gz ZEBKZBMHSYFXEW-MVWJERBFSA-N -1 3 240.266 0.873 20 0 BCADHM O=C([N-][C@H]1CCCCNC1=O)C(F)F ZINC000236138934 182327841 /nfs/dbraw/zinc/32/78/41/182327841.db2.gz YDSXCKCZFCEPGL-YFKPBYRVSA-N -1 3 206.192 0.036 20 0 BCADHM O=C(N[C@H]1CCCCNC1=O)c1cccc([O-])c1 ZINC000082282541 182328715 /nfs/dbraw/zinc/32/87/15/182328715.db2.gz HDJGFJLSSJJUSE-NSHDSACASA-N -1 3 248.282 0.791 20 0 BCADHM O=C(N[C@H]1CCC[C@H]1OC(F)F)c1c[n-]nn1 ZINC000337586468 182332495 /nfs/dbraw/zinc/33/24/95/182332495.db2.gz FOFBOOMKYKICQF-CAHLUQPWSA-N -1 3 246.217 0.695 20 0 BCADHM O=C(N[C@H]1CCC[C@H]1OC(F)F)c1cnn[n-]1 ZINC000337586468 182332497 /nfs/dbraw/zinc/33/24/97/182332497.db2.gz FOFBOOMKYKICQF-CAHLUQPWSA-N -1 3 246.217 0.695 20 0 BCADHM O=C(N[C@H]1CCC[C@H]1OC(F)F)c1cn[n-]n1 ZINC000337586468 182332499 /nfs/dbraw/zinc/33/24/99/182332499.db2.gz FOFBOOMKYKICQF-CAHLUQPWSA-N -1 3 246.217 0.695 20 0 BCADHM O=C([N-][C@H]1CN(c2ccccc2)C1=O)C(F)F ZINC000369336422 182342083 /nfs/dbraw/zinc/34/20/83/182342083.db2.gz VVPZKCIYJICPKX-QMMMGPOBSA-N -1 3 240.209 0.783 20 0 BCADHM C[C@H](O)CN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459497542 206130024 /nfs/dbraw/zinc/13/00/24/206130024.db2.gz JVXIVEFJXSKRKD-QMMMGPOBSA-N -1 3 237.303 0.872 20 0 BCADHM O=C(Nc1cc(C2CC2)[nH]n1)c1cnn[n-]1 ZINC000264056557 182348302 /nfs/dbraw/zinc/34/83/02/182348302.db2.gz VENAZZWODMYRLK-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM O=C(Nc1cc(C2CC2)[nH]n1)c1c[n-]nn1 ZINC000264056557 182348303 /nfs/dbraw/zinc/34/83/03/182348303.db2.gz VENAZZWODMYRLK-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM O=C(Nc1cc(C2CC2)[nH]n1)c1cn[n-]n1 ZINC000264056557 182348305 /nfs/dbraw/zinc/34/83/05/182348305.db2.gz VENAZZWODMYRLK-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM O=C(Nc1cc[nH]n1)c1ccc2n[n-]nc2c1 ZINC000042414342 182385482 /nfs/dbraw/zinc/38/54/82/182385482.db2.gz WLCJUILOZMVOLT-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1nc2cccnc2[nH]1)c1nc[n-]n1 ZINC000358590213 182398047 /nfs/dbraw/zinc/39/80/47/182398047.db2.gz NLBIZBACMRTRRB-UHFFFAOYSA-N -1 3 229.203 0.328 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1nnc[nH]1 ZINC000367699528 182399150 /nfs/dbraw/zinc/39/91/50/182399150.db2.gz QRUHIEIISFTKAL-NKWVEPMBSA-N -1 3 245.242 0.648 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000367699528 182399152 /nfs/dbraw/zinc/39/91/52/182399152.db2.gz QRUHIEIISFTKAL-NKWVEPMBSA-N -1 3 245.242 0.648 20 0 BCADHM O=C([N-]c1cnns1)c1csnn1 ZINC000306409326 182395579 /nfs/dbraw/zinc/39/55/79/182395579.db2.gz INAFNADDQSPCII-UHFFFAOYSA-N -1 3 213.247 0.642 20 0 BCADHM CCCC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000066085945 168872382 /nfs/dbraw/zinc/87/23/82/168872382.db2.gz LEXQIOMIEYNKAB-UHFFFAOYSA-N -1 3 231.321 0.807 20 0 BCADHM O=c1nc(CN2CCCSCC2)[nH][n-]1 ZINC000271635199 183009516 /nfs/dbraw/zinc/00/95/16/183009516.db2.gz HHYATQAQBGGZMB-UHFFFAOYSA-N -1 3 214.294 0.037 20 0 BCADHM O=c1nc(CN2CCc3ccsc3C2)[nH][n-]1 ZINC000271713998 183010524 /nfs/dbraw/zinc/01/05/24/183010524.db2.gz PWSIPBFPOWJRBG-UHFFFAOYSA-N -1 3 236.300 0.718 20 0 BCADHM O=c1[n-]c(=O)n(C[C@@H]2CCOC2)cc1Cl ZINC000306235563 183010679 /nfs/dbraw/zinc/01/06/79/183010679.db2.gz NWWZVDLXGKVBHZ-LURJTMIESA-N -1 3 230.651 0.639 20 0 BCADHM CCCN(C)CC(=O)NCc1ncccc1[O-] ZINC000352518146 169074116 /nfs/dbraw/zinc/07/41/16/169074116.db2.gz VHGVDIUYOHTUQN-UHFFFAOYSA-N -1 3 237.303 0.745 20 0 BCADHM CCCN(C)CC(=O)N(C)CCCC(=O)[O-] ZINC000336751390 169063765 /nfs/dbraw/zinc/06/37/65/169063765.db2.gz VFHSMAKVACPVKJ-UHFFFAOYSA-N -1 3 230.308 0.651 20 0 BCADHM [O-]c1ccc(F)c(CN2C[C@H](O)[C@@H](O)C2)c1F ZINC000294713371 183273222 /nfs/dbraw/zinc/27/32/22/183273222.db2.gz OVRLKLZNXNQAQE-UWVGGRQHSA-N -1 3 245.225 0.208 20 0 BCADHM O=c1[n-]c(CN2CCN3CCCC[C@@H]3C2)n[nH]1 ZINC000329272929 183306525 /nfs/dbraw/zinc/30/65/25/183306525.db2.gz IAENHHGHDJPRGX-SECBINFHSA-N -1 3 237.307 0.180 20 0 BCADHM CCCN(CCO)c1nc2nncc-2c(O)[n-]1 ZINC000274658318 169169443 /nfs/dbraw/zinc/16/94/43/169169443.db2.gz IKSNSXZROLGUFF-UHFFFAOYSA-N -1 3 237.263 0.267 20 0 BCADHM CCCOCC(=O)Nc1nnc(OC)[n-]1 ZINC000183006131 169308701 /nfs/dbraw/zinc/30/87/01/169308701.db2.gz SENZIRVOFWJOOG-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM CCCOCC(=O)Nc1n[n-]c(OC)n1 ZINC000183006131 169308702 /nfs/dbraw/zinc/30/87/02/169308702.db2.gz SENZIRVOFWJOOG-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM CCCOCC(=O)Nc1nc(OC)n[n-]1 ZINC000183006131 169308704 /nfs/dbraw/zinc/30/87/04/169308704.db2.gz SENZIRVOFWJOOG-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM CCCS(=O)(=O)[N-]C1(C(=O)OC)CCCC1 ZINC000102411016 169331998 /nfs/dbraw/zinc/33/19/98/169331998.db2.gz WXDZWIICMMNUTD-UHFFFAOYSA-N -1 3 249.332 0.802 20 0 BCADHM O=S(=O)([N-]CC1CCC1)c1c[nH]cn1 ZINC000069948039 383856559 /nfs/dbraw/zinc/85/65/59/383856559.db2.gz WXPGMZBKEKHPJA-UHFFFAOYSA-N -1 3 215.278 0.488 20 0 BCADHM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000313091238 383869396 /nfs/dbraw/zinc/86/93/96/383869396.db2.gz AQAWRGKJQPXSIR-HTQZYQBOSA-N -1 3 247.320 0.238 20 0 BCADHM CC[C@@H](CO)NC(=O)c1ccc(OC)cc1[O-] ZINC000035102812 383828628 /nfs/dbraw/zinc/82/86/28/383828628.db2.gz IWPAMXSBKVLBQH-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2ccc3n[n-]nc3c2)CO1 ZINC000566283980 383926885 /nfs/dbraw/zinc/92/68/85/383926885.db2.gz MWXMCZFJWSKZJQ-IONNQARKSA-N -1 3 246.270 0.865 20 0 BCADHM O=c1[n-]c(=O)n(C[C@H]2CCCO2)cc1Cl ZINC000091329763 384118067 /nfs/dbraw/zinc/11/80/67/384118067.db2.gz RDKLFBPLYAQXNR-ZCFIWIBFSA-N -1 3 230.651 0.369 20 0 BCADHM C[C@@H](O)CNC(=O)c1c([O-])cccc1O ZINC000092107828 384116761 /nfs/dbraw/zinc/11/67/61/384116761.db2.gz XSQMEESQKJRIHU-ZCFIWIBFSA-N -1 3 211.217 0.208 20 0 BCADHM O=S(=O)([N-]Cc1ncccc1F)C1COC1 ZINC000530480499 384120682 /nfs/dbraw/zinc/12/06/82/384120682.db2.gz FZMZUCPEGFIGTN-UHFFFAOYSA-N -1 3 246.263 0.039 20 0 BCADHM COc1ccc([O-])c(C(=O)N2CC(CO)C2)c1 ZINC000091488207 384129344 /nfs/dbraw/zinc/12/93/44/384129344.db2.gz ILIBDLKUFBWNSV-UHFFFAOYSA-N -1 3 237.255 0.465 20 0 BCADHM C[C@@H](CO)CNC(=O)c1c([O-])cccc1O ZINC000092125434 384147026 /nfs/dbraw/zinc/14/70/26/384147026.db2.gz ZOGCBUVUEJWJTJ-SSDOTTSWSA-N -1 3 225.244 0.456 20 0 BCADHM COc1cc(O)cc(NC(=O)c2cnn[n-]2)c1 ZINC000560478307 384160764 /nfs/dbraw/zinc/16/07/64/384160764.db2.gz MBOKEIZFHAZLFI-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COc1cc(O)cc(NC(=O)c2c[n-]nn2)c1 ZINC000560478307 384160768 /nfs/dbraw/zinc/16/07/68/384160768.db2.gz MBOKEIZFHAZLFI-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COc1cc(O)cc(NC(=O)c2cn[n-]n2)c1 ZINC000560478307 384160772 /nfs/dbraw/zinc/16/07/72/384160772.db2.gz MBOKEIZFHAZLFI-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM Cn1cnc(CNC(=O)c2c([O-])cccc2O)n1 ZINC000092127155 384164953 /nfs/dbraw/zinc/16/49/53/384164953.db2.gz DJTYHFBYTKWZEX-UHFFFAOYSA-N -1 3 248.242 0.156 20 0 BCADHM CCn1nc(C)c([N-]S(C)(=O)=O)c1C ZINC000014227622 384206829 /nfs/dbraw/zinc/20/68/29/384206829.db2.gz RIOXZOSYIKAQIF-UHFFFAOYSA-N -1 3 217.294 0.891 20 0 BCADHM CO[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC000119222015 384247915 /nfs/dbraw/zinc/24/79/15/384247915.db2.gz ZECMOEXVUARJEF-UHFFFAOYSA-N -1 3 237.259 0.269 20 0 BCADHM O=C(c1ccccc1[O-])N1CC(CO)C1 ZINC000084986795 384258851 /nfs/dbraw/zinc/25/88/51/384258851.db2.gz LYLGPCWSSJNOHK-UHFFFAOYSA-N -1 3 207.229 0.457 20 0 BCADHM C[C@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)CO1 ZINC000569571758 384267912 /nfs/dbraw/zinc/26/79/12/384267912.db2.gz PGXDZBANHLGMHU-NKWVEPMBSA-N -1 3 219.248 0.316 20 0 BCADHM CC[C@@H](C)[C@H](OC)C(=O)Nc1n[n-]c(OC)n1 ZINC000356592742 384268530 /nfs/dbraw/zinc/26/85/30/384268530.db2.gz HGUXBERVTVKVSH-RQJHMYQMSA-N -1 3 242.279 0.813 20 0 BCADHM CC[C@@H](C)[C@H](OC)C(=O)Nc1nnc(OC)[n-]1 ZINC000356592742 384268535 /nfs/dbraw/zinc/26/85/35/384268535.db2.gz HGUXBERVTVKVSH-RQJHMYQMSA-N -1 3 242.279 0.813 20 0 BCADHM CC[C@@H](C)[C@H](OC)C(=O)Nc1nc(OC)n[n-]1 ZINC000356592742 384268544 /nfs/dbraw/zinc/26/85/44/384268544.db2.gz HGUXBERVTVKVSH-RQJHMYQMSA-N -1 3 242.279 0.813 20 0 BCADHM O=C([O-])C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000083884177 384341002 /nfs/dbraw/zinc/34/10/02/384341002.db2.gz RHAZVYLGFIARIB-VIFPVBQESA-N -1 3 226.276 0.158 20 0 BCADHM CC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)[C@H](C)O ZINC000334101752 384345287 /nfs/dbraw/zinc/34/52/87/384345287.db2.gz GKEALNHCBVXMEL-IONNQARKSA-N -1 3 248.286 0.847 20 0 BCADHM Cc1nccc(N(C)C[C@@H](C)c2nnn[n-]2)n1 ZINC000095334863 384369766 /nfs/dbraw/zinc/36/97/66/384369766.db2.gz JHAWCVKFNRYPFF-SSDOTTSWSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1nccc(N(C)C[C@@H](C)c2nn[n-]n2)n1 ZINC000095334863 384369773 /nfs/dbraw/zinc/36/97/73/384369773.db2.gz JHAWCVKFNRYPFF-SSDOTTSWSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1ccc(C(=O)NCCOC(N)=O)c([O-])c1 ZINC000135235570 384427530 /nfs/dbraw/zinc/42/75/30/384427530.db2.gz UJINYIMCPJGVAP-UHFFFAOYSA-N -1 3 238.243 0.526 20 0 BCADHM CC(C)(C)C(=O)Nc1nnc(SCCO)[n-]1 ZINC000120706178 384376077 /nfs/dbraw/zinc/37/60/77/384376077.db2.gz CFJOAGHCSIQXKL-UHFFFAOYSA-N -1 3 244.320 0.874 20 0 BCADHM CC(C)(C)C(=O)Nc1nc(SCCO)n[n-]1 ZINC000120706178 384376080 /nfs/dbraw/zinc/37/60/80/384376080.db2.gz CFJOAGHCSIQXKL-UHFFFAOYSA-N -1 3 244.320 0.874 20 0 BCADHM CC(C)(C)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000120706178 384376082 /nfs/dbraw/zinc/37/60/82/384376082.db2.gz CFJOAGHCSIQXKL-UHFFFAOYSA-N -1 3 244.320 0.874 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NCC1(O)CCC1 ZINC000305747764 384439050 /nfs/dbraw/zinc/43/90/50/384439050.db2.gz TWHAYVKRBNIBRG-NSCUHMNNSA-N -1 3 248.282 0.832 20 0 BCADHM O=C([O-])[C@H]1CCCCN1C[C@H](O)C(F)(F)F ZINC000082681299 384443297 /nfs/dbraw/zinc/44/32/97/384443297.db2.gz ZKQSHZZKCNEVHO-RQJHMYQMSA-N -1 3 241.209 0.849 20 0 BCADHM CCO[N-]C(=O)/C=C\c1ccnn1CC ZINC000255296285 384472194 /nfs/dbraw/zinc/47/21/94/384472194.db2.gz JNHPDSHYIXPCLR-WAYWQWQTSA-N -1 3 209.249 0.984 20 0 BCADHM Cc1[n-]n(CCN(C)C)c(=O)c1C1CC1 ZINC000634589373 384504398 /nfs/dbraw/zinc/50/43/98/384504398.db2.gz WSCWDBDBUQVLQG-SNVBAGLBSA-N -1 3 209.293 0.792 20 0 BCADHM Cn1ncc2c1CCC[C@H]2NC(=O)c1c[n-]nn1 ZINC000048891512 384510854 /nfs/dbraw/zinc/51/08/54/384510854.db2.gz HQGJHOYFEUXDAS-MRVPVSSYSA-N -1 3 246.274 0.346 20 0 BCADHM Cn1ncc2c1CCC[C@H]2NC(=O)c1cnn[n-]1 ZINC000048891512 384510861 /nfs/dbraw/zinc/51/08/61/384510861.db2.gz HQGJHOYFEUXDAS-MRVPVSSYSA-N -1 3 246.274 0.346 20 0 BCADHM Cn1ncc2c1CCC[C@H]2NC(=O)c1cn[n-]n1 ZINC000048891512 384510866 /nfs/dbraw/zinc/51/08/66/384510866.db2.gz HQGJHOYFEUXDAS-MRVPVSSYSA-N -1 3 246.274 0.346 20 0 BCADHM CO[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000079390323 384493045 /nfs/dbraw/zinc/49/30/45/384493045.db2.gz FOTHTGYBPNWLSQ-SSDOTTSWSA-N -1 3 247.258 0.840 20 0 BCADHM CO[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000079390323 384493050 /nfs/dbraw/zinc/49/30/50/384493050.db2.gz FOTHTGYBPNWLSQ-SSDOTTSWSA-N -1 3 247.258 0.840 20 0 BCADHM CC(=O)N(C)CC(=O)Nc1ccccc1[O-] ZINC000049137012 384521194 /nfs/dbraw/zinc/52/11/94/384521194.db2.gz SYOWQKIVUGNFSJ-UHFFFAOYSA-N -1 3 222.244 0.809 20 0 BCADHM CN(C)CCNC(=O)c1ncccc1[O-] ZINC000037760414 384528399 /nfs/dbraw/zinc/52/83/99/384528399.db2.gz YIYUBYMPJUTMIL-UHFFFAOYSA-N -1 3 209.249 0.079 20 0 BCADHM C[C@@H](O)CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000080115653 384532584 /nfs/dbraw/zinc/53/25/84/384532584.db2.gz GDMLUBFHQWCCDB-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM Cc1ccc([O-])c(CN2CCCC[C@H]2C(N)=O)n1 ZINC000162007744 384559778 /nfs/dbraw/zinc/55/97/78/384559778.db2.gz RWKSZPNXXPDPPE-NSHDSACASA-N -1 3 249.314 0.935 20 0 BCADHM CCS(=O)(=O)[N-][C@@H](COC)c1ccco1 ZINC000080790288 384581883 /nfs/dbraw/zinc/58/18/83/384581883.db2.gz XMTUCRTVJIAWNN-QMMMGPOBSA-N -1 3 233.289 0.906 20 0 BCADHM Cc1noc(CCC(=O)[N-]OC(C)C)n1 ZINC000294202455 384567198 /nfs/dbraw/zinc/56/71/98/384567198.db2.gz SZCHHQGWJPJCHI-UHFFFAOYSA-N -1 3 213.237 0.767 20 0 BCADHM CC[C@H](O)C[N-]S(=O)(=O)c1ccccc1F ZINC000124655133 384663257 /nfs/dbraw/zinc/66/32/57/384663257.db2.gz AZTXWXFEMIJWLK-QMMMGPOBSA-N -1 3 247.291 0.875 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)[C@H]1CCCCO1 ZINC000272133354 384671662 /nfs/dbraw/zinc/67/16/62/384671662.db2.gz NBMCVYOUJROMFJ-IONNQARKSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)[C@H]1CCCCO1 ZINC000272133354 384671666 /nfs/dbraw/zinc/67/16/66/384671666.db2.gz NBMCVYOUJROMFJ-IONNQARKSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CCCCO1 ZINC000272133354 384671667 /nfs/dbraw/zinc/67/16/67/384671667.db2.gz NBMCVYOUJROMFJ-IONNQARKSA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@@H](CO)NC(=O)c1ccc([O-])c(OC)c1 ZINC000082265682 384656996 /nfs/dbraw/zinc/65/69/96/384656996.db2.gz GHPQSPODRFMXLF-VIFPVBQESA-N -1 3 239.271 0.902 20 0 BCADHM Cc1cccnc1CNC(=O)c1c[n-]nn1 ZINC000082432647 384681410 /nfs/dbraw/zinc/68/14/10/384681410.db2.gz YYXPCUGDMAQVEW-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1cccnc1CNC(=O)c1cnn[n-]1 ZINC000082432647 384681414 /nfs/dbraw/zinc/68/14/14/384681414.db2.gz YYXPCUGDMAQVEW-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1cccnc1CNC(=O)c1cn[n-]n1 ZINC000082432647 384681417 /nfs/dbraw/zinc/68/14/17/384681417.db2.gz YYXPCUGDMAQVEW-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM C[C@@H](O)CN(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000051819452 384690122 /nfs/dbraw/zinc/69/01/22/384690122.db2.gz CBLAXHYRKAZPHC-SSDOTTSWSA-N -1 3 234.259 0.411 20 0 BCADHM COC1(CCNC(=O)c2c[n-]nn2)CCC1 ZINC000294108349 384690431 /nfs/dbraw/zinc/69/04/31/384690431.db2.gz UTSHTQPYWCLYJS-UHFFFAOYSA-N -1 3 224.264 0.494 20 0 BCADHM COC1(CCNC(=O)c2cnn[n-]2)CCC1 ZINC000294108349 384690439 /nfs/dbraw/zinc/69/04/39/384690439.db2.gz UTSHTQPYWCLYJS-UHFFFAOYSA-N -1 3 224.264 0.494 20 0 BCADHM COC1(CCNC(=O)c2cn[n-]n2)CCC1 ZINC000294108349 384690442 /nfs/dbraw/zinc/69/04/42/384690442.db2.gz UTSHTQPYWCLYJS-UHFFFAOYSA-N -1 3 224.264 0.494 20 0 BCADHM COc1ccc([O-])c(C(=O)N(C)C[C@@H](C)O)c1 ZINC000051819002 384690697 /nfs/dbraw/zinc/69/06/97/384690697.db2.gz APFITTMFZNCLIQ-MRVPVSSYSA-N -1 3 239.271 0.854 20 0 BCADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(N)=O)n1 ZINC000125619029 384733178 /nfs/dbraw/zinc/73/31/78/384733178.db2.gz OYYPYKCPHPCGND-LURJTMIESA-N -1 3 241.316 0.852 20 0 BCADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(N)=O)n1 ZINC000125619255 384734605 /nfs/dbraw/zinc/73/46/05/384734605.db2.gz OYYPYKCPHPCGND-ZCFIWIBFSA-N -1 3 241.316 0.852 20 0 BCADHM CO[N-]C(=O)[C@@H]1Cc2ccccc2N(C)C1 ZINC000363721755 384735917 /nfs/dbraw/zinc/73/59/17/384735917.db2.gz JINILHOCAJSBOV-SNVBAGLBSA-N -1 3 220.272 0.973 20 0 BCADHM CC[C@H](N)C(=O)[N-]OCc1ccccc1 ZINC000083116572 384742466 /nfs/dbraw/zinc/74/24/66/384742466.db2.gz SRXVKZYJGVWGDZ-JTQLQIEISA-N -1 3 208.261 0.972 20 0 BCADHM CCc1cc(=O)[n-]c(CSCCC(N)=O)n1 ZINC000125732513 384747131 /nfs/dbraw/zinc/74/71/31/384747131.db2.gz OTUPFFCFMDSXBM-UHFFFAOYSA-N -1 3 241.316 0.853 20 0 BCADHM C[C@H](CO)CNC(=O)c1ccc(O)cc1[O-] ZINC000083215547 384751395 /nfs/dbraw/zinc/75/13/95/384751395.db2.gz HELBQPPWALSTPA-ZETCQYMHSA-N -1 3 225.244 0.456 20 0 BCADHM C[C@H](O)CCNc1nc2nncc-2c(O)[n-]1 ZINC000309972666 384751774 /nfs/dbraw/zinc/75/17/74/384751774.db2.gz QHJRONJSCUCBIC-YFKPBYRVSA-N -1 3 223.236 0.241 20 0 BCADHM C[C@H](CO)C[N-]S(=O)(=O)c1ccccc1F ZINC000083220331 384755061 /nfs/dbraw/zinc/75/50/61/384755061.db2.gz PSPOYPYJAROGTR-QMMMGPOBSA-N -1 3 247.291 0.732 20 0 BCADHM CC[C@H](O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000126061412 384769417 /nfs/dbraw/zinc/76/94/17/384769417.db2.gz ADCFMNXKRFRYSR-QMMMGPOBSA-N -1 3 234.259 0.459 20 0 BCADHM CCC[C@@H](O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000126268701 384782802 /nfs/dbraw/zinc/78/28/02/384782802.db2.gz FVGPKQYZGHOING-SECBINFHSA-N -1 3 248.286 0.849 20 0 BCADHM CCC[C@H](O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000126268481 384783108 /nfs/dbraw/zinc/78/31/08/384783108.db2.gz FVGPKQYZGHOING-VIFPVBQESA-N -1 3 248.286 0.849 20 0 BCADHM C[C@@H](CO)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000126351278 384793183 /nfs/dbraw/zinc/79/31/83/384793183.db2.gz PMVUTECWSFWLHE-ZETCQYMHSA-N -1 3 234.259 0.411 20 0 BCADHM Cc1ccc(NC(=O)c2nnc[n-]2)nc1 ZINC000087441869 384795330 /nfs/dbraw/zinc/79/53/30/384795330.db2.gz JHLFDTQAILOHNH-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1ccc(NC(=O)c2nc[n-]n2)nc1 ZINC000087441869 384795335 /nfs/dbraw/zinc/79/53/35/384795335.db2.gz JHLFDTQAILOHNH-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C(N)=O)C2)c1 ZINC000053891468 384811950 /nfs/dbraw/zinc/81/19/50/384811950.db2.gz VGFSIAHTYPTRSP-SECBINFHSA-N -1 3 248.282 0.648 20 0 BCADHM CC(=O)[N-]OCC(=O)NCc1cccc(C)c1 ZINC000084489750 384874124 /nfs/dbraw/zinc/87/41/24/384874124.db2.gz HNSCTFZPDMSVCK-UHFFFAOYSA-N -1 3 236.271 0.679 20 0 BCADHM CC(=O)[N-]OCc1nc(C(C)(C)C)no1 ZINC000084489717 384874314 /nfs/dbraw/zinc/87/43/14/384874314.db2.gz WOEZLLWXIRZFHY-UHFFFAOYSA-N -1 3 213.237 0.935 20 0 BCADHM O=C(c1ccccc1[O-])N1CCn2cnnc2C1 ZINC000105876507 384885388 /nfs/dbraw/zinc/88/53/88/384885388.db2.gz MSOGHYGYOBBIFH-UHFFFAOYSA-N -1 3 244.254 0.640 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CCN(C)C(=O)C2)c1 ZINC000084204555 384846763 /nfs/dbraw/zinc/84/67/63/384846763.db2.gz ITXHNBQQRBMKSB-UHFFFAOYSA-N -1 3 248.282 0.615 20 0 BCADHM COC[C@@](C)(O)C(=O)Nc1cccc([O-])c1F ZINC000536462398 384852861 /nfs/dbraw/zinc/85/28/61/384852861.db2.gz GMZCVOBRSBVBMG-LLVKDONJSA-N -1 3 243.234 0.867 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H](C)C[S@](C)=O)n1 ZINC000164258776 384950517 /nfs/dbraw/zinc/95/05/17/384950517.db2.gz DMXKZBXDKXRJOS-XXFAHNHDSA-N -1 3 242.344 0.952 20 0 BCADHM CCOCCS(=O)(=O)[N-]Cc1ncc(C)o1 ZINC000175600859 384929526 /nfs/dbraw/zinc/92/95/26/384929526.db2.gz NMXMOTLBGZXHLL-UHFFFAOYSA-N -1 3 248.304 0.439 20 0 BCADHM CCOC(=O)N1CCCN([C@@H](C)C(=O)[O-])CC1 ZINC000497282324 384935835 /nfs/dbraw/zinc/93/58/35/384935835.db2.gz ZGKNRFHDAJSPJX-VIFPVBQESA-N -1 3 244.291 0.624 20 0 BCADHM C[C@@H](C[S@](C)=O)NC(=O)c1cccc([O-])c1 ZINC000164357086 384968139 /nfs/dbraw/zinc/96/81/39/384968139.db2.gz OEPQUXWMTPKWAX-ZKANADHPSA-N -1 3 241.312 0.889 20 0 BCADHM O=S(=O)(CC(F)F)c1nc2c([n-]1)CCC2 ZINC000644611490 385012284 /nfs/dbraw/zinc/01/22/84/385012284.db2.gz WGDJAYCGVOFYRK-UHFFFAOYSA-N -1 3 236.243 0.937 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CCCO1)c1ccco1 ZINC000188549288 385061422 /nfs/dbraw/zinc/06/14/22/385061422.db2.gz LQYQNSIAEGRCNV-QMMMGPOBSA-N -1 3 231.273 0.737 20 0 BCADHM C[C@H](CO)CNC(=O)Cc1cncc([O-])c1 ZINC000646914581 385065063 /nfs/dbraw/zinc/06/50/63/385065063.db2.gz ZVHMJYRTCLDPSY-QMMMGPOBSA-N -1 3 224.260 0.074 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CCCOC1)c1ccco1 ZINC000188620507 385071160 /nfs/dbraw/zinc/07/11/60/385071160.db2.gz FZUXMYFNXIHEAW-VIFPVBQESA-N -1 3 245.300 0.985 20 0 BCADHM O=S(=O)([N-]CC1CCOCC1)c1ccco1 ZINC000188650608 385074920 /nfs/dbraw/zinc/07/49/20/385074920.db2.gz FJSACYTXCRPQMZ-UHFFFAOYSA-N -1 3 245.300 0.985 20 0 BCADHM O=S(=O)([N-][C@@H]1CCCOC1)c1ccco1 ZINC000188675260 385077996 /nfs/dbraw/zinc/07/79/96/385077996.db2.gz UICCKVXSQJZRIA-MRVPVSSYSA-N -1 3 231.273 0.737 20 0 BCADHM CC[C@@H](CO)[N-]S(=O)(=O)c1ccco1 ZINC000188704031 385079024 /nfs/dbraw/zinc/07/90/24/385079024.db2.gz VNKIQPCFNJSJAD-ZETCQYMHSA-N -1 3 219.262 0.329 20 0 BCADHM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188716440 385084971 /nfs/dbraw/zinc/08/49/71/385084971.db2.gz QXCXBPOTEQQEHV-SFYZADRCSA-N -1 3 233.289 0.575 20 0 BCADHM C[C@@H](O)CN(C)C(=O)Cc1cncc([O-])c1 ZINC000646952464 385081382 /nfs/dbraw/zinc/08/13/82/385081382.db2.gz XMGTZFALAODKQQ-MRVPVSSYSA-N -1 3 224.260 0.169 20 0 BCADHM Cc1cnc([C@@H](C)NC(=O)c2c[n-]nn2)o1 ZINC000226615692 385034875 /nfs/dbraw/zinc/03/48/75/385034875.db2.gz ULVKGYKZGHPRTC-ZCFIWIBFSA-N -1 3 221.220 0.592 20 0 BCADHM Cc1cnc([C@@H](C)NC(=O)c2cnn[n-]2)o1 ZINC000226615692 385034880 /nfs/dbraw/zinc/03/48/80/385034880.db2.gz ULVKGYKZGHPRTC-ZCFIWIBFSA-N -1 3 221.220 0.592 20 0 BCADHM Cc1cnc([C@@H](C)NC(=O)c2cn[n-]n2)o1 ZINC000226615692 385034885 /nfs/dbraw/zinc/03/48/85/385034885.db2.gz ULVKGYKZGHPRTC-ZCFIWIBFSA-N -1 3 221.220 0.592 20 0 BCADHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1O)c1ccco1 ZINC000188706358 385083185 /nfs/dbraw/zinc/08/31/85/385083185.db2.gz QWVCMSPRDMVMGY-BDAKNGLRSA-N -1 3 245.300 0.861 20 0 BCADHM CN1CC[C@@H]2CN(c3ccc(C(=O)[O-])cn3)C[C@@H]21 ZINC000647455589 385038534 /nfs/dbraw/zinc/03/85/34/385038534.db2.gz DMQCFEYEZFCMOO-MNOVXSKESA-N -1 3 247.298 0.920 20 0 BCADHM O=C(NC1CCSCC1)c1c[n-]nn1 ZINC000136350498 385041537 /nfs/dbraw/zinc/04/15/37/385041537.db2.gz UOZAPZNKHXVTES-UHFFFAOYSA-N -1 3 212.278 0.430 20 0 BCADHM O=C(NC1CCSCC1)c1cnn[n-]1 ZINC000136350498 385041538 /nfs/dbraw/zinc/04/15/38/385041538.db2.gz UOZAPZNKHXVTES-UHFFFAOYSA-N -1 3 212.278 0.430 20 0 BCADHM O=C(NC1CCSCC1)c1cn[n-]n1 ZINC000136350498 385041539 /nfs/dbraw/zinc/04/15/39/385041539.db2.gz UOZAPZNKHXVTES-UHFFFAOYSA-N -1 3 212.278 0.430 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NCC(=O)C1CC1 ZINC000180835680 385045063 /nfs/dbraw/zinc/04/50/63/385045063.db2.gz CWVGDTVWRYGBKM-DAFODLJHSA-N -1 3 246.266 0.896 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)[C@H]1CCCO1 ZINC000088342128 385110540 /nfs/dbraw/zinc/11/05/40/385110540.db2.gz PAVLZKSKDJGECA-POYBYMJQSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)[C@H]1CCCO1 ZINC000088342128 385110549 /nfs/dbraw/zinc/11/05/49/385110549.db2.gz PAVLZKSKDJGECA-POYBYMJQSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)[C@H]1CCCO1 ZINC000088342128 385110554 /nfs/dbraw/zinc/11/05/54/385110554.db2.gz PAVLZKSKDJGECA-POYBYMJQSA-N -1 3 210.237 0.102 20 0 BCADHM O=S(=O)([N-][C@@H]1C=C[C@H](CO)C1)c1ccco1 ZINC000188742318 385087581 /nfs/dbraw/zinc/08/75/81/385087581.db2.gz ZKFYHXGKHCLZHF-DTWKUNHWSA-N -1 3 243.284 0.495 20 0 BCADHM O=C([O-])C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000331424232 385192236 /nfs/dbraw/zinc/19/22/36/385192236.db2.gz FNWHQFJMRTXAOP-VIFPVBQESA-N -1 3 226.276 0.204 20 0 BCADHM COC[C@@H](CCO)NC(=O)c1cccc([O-])c1 ZINC000227686582 385199377 /nfs/dbraw/zinc/19/93/77/385199377.db2.gz QPYUVVVKGMIHGF-SNVBAGLBSA-N -1 3 239.271 0.519 20 0 BCADHM CN(C)c1cccc(CNC(=O)c2c[n-]nn2)n1 ZINC000152019561 385149496 /nfs/dbraw/zinc/14/94/96/385149496.db2.gz OXPUBMMCMASIDA-UHFFFAOYSA-N -1 3 246.274 0.196 20 0 BCADHM CN(C)c1cccc(CNC(=O)c2cnn[n-]2)n1 ZINC000152019561 385149499 /nfs/dbraw/zinc/14/94/99/385149499.db2.gz OXPUBMMCMASIDA-UHFFFAOYSA-N -1 3 246.274 0.196 20 0 BCADHM CN(C)c1cccc(CNC(=O)c2cn[n-]n2)n1 ZINC000152019561 385149503 /nfs/dbraw/zinc/14/95/03/385149503.db2.gz OXPUBMMCMASIDA-UHFFFAOYSA-N -1 3 246.274 0.196 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000559755664 385154326 /nfs/dbraw/zinc/15/43/26/385154326.db2.gz OODQXTNOPYQMHW-AXFHLTTASA-N -1 3 249.314 0.661 20 0 BCADHM CO[C@@H]1C[C@H](NC(=O)c2c[n-]nn2)C1(C)C ZINC000227818644 385244634 /nfs/dbraw/zinc/24/46/34/385244634.db2.gz APJCCAJQBLGPGK-JGVFFNPUSA-N -1 3 224.264 0.348 20 0 BCADHM CO[C@@H]1C[C@H](NC(=O)c2cnn[n-]2)C1(C)C ZINC000227818644 385244637 /nfs/dbraw/zinc/24/46/37/385244637.db2.gz APJCCAJQBLGPGK-JGVFFNPUSA-N -1 3 224.264 0.348 20 0 BCADHM CO[C@@H]1C[C@H](NC(=O)c2cn[n-]n2)C1(C)C ZINC000227818644 385244639 /nfs/dbraw/zinc/24/46/39/385244639.db2.gz APJCCAJQBLGPGK-JGVFFNPUSA-N -1 3 224.264 0.348 20 0 BCADHM COC[C@H](C)NCc1cnc(C)[n-]c1=O ZINC000308935480 385304175 /nfs/dbraw/zinc/30/41/75/385304175.db2.gz KSENSSPLLQFDQE-ZETCQYMHSA-N -1 3 211.265 0.615 20 0 BCADHM C[N-]S(=O)(=O)c1sccc1OC ZINC000153621689 385268613 /nfs/dbraw/zinc/26/86/13/385268613.db2.gz UHFGHIPCYAWMNX-UHFFFAOYSA-N -1 3 207.276 0.665 20 0 BCADHM CCCCCNC(=O)C(=O)[N-]c1cnns1 ZINC000191964897 385336377 /nfs/dbraw/zinc/33/63/77/385336377.db2.gz JXPTZBZWEPWAJK-UHFFFAOYSA-N -1 3 242.304 0.783 20 0 BCADHM CC(=O)[N-]OCC(=O)N[C@@H](C)c1ccccc1 ZINC000178195053 385343910 /nfs/dbraw/zinc/34/39/10/385343910.db2.gz UZZHKXNDXDFQIL-VIFPVBQESA-N -1 3 236.271 0.932 20 0 BCADHM CC(=O)[N-]OCC(=O)N1CCc2ccccc21 ZINC000178195031 385344416 /nfs/dbraw/zinc/34/44/16/385344416.db2.gz ZVWOQQBILSJGGH-UHFFFAOYSA-N -1 3 234.255 0.643 20 0 BCADHM O=C(N[C@@H](CO)c1ccccc1)c1c[n-]nn1 ZINC000158147046 385352931 /nfs/dbraw/zinc/35/29/31/385352931.db2.gz LWXFSNSQCLXRKN-JTQLQIEISA-N -1 3 232.243 0.268 20 0 BCADHM O=C(N[C@@H](CO)c1ccccc1)c1cnn[n-]1 ZINC000158147046 385352936 /nfs/dbraw/zinc/35/29/36/385352936.db2.gz LWXFSNSQCLXRKN-JTQLQIEISA-N -1 3 232.243 0.268 20 0 BCADHM O=C(N[C@@H](CO)c1ccccc1)c1cn[n-]n1 ZINC000158147046 385352940 /nfs/dbraw/zinc/35/29/40/385352940.db2.gz LWXFSNSQCLXRKN-JTQLQIEISA-N -1 3 232.243 0.268 20 0 BCADHM CCN(CCO)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192571606 385362029 /nfs/dbraw/zinc/36/20/29/385362029.db2.gz CBSIAWUZTGRPQX-SECBINFHSA-N -1 3 225.292 0.866 20 0 BCADHM CCc1cc(C(=O)NC(CO)CO)ccc1[O-] ZINC000644050898 385402466 /nfs/dbraw/zinc/40/24/66/385402466.db2.gz DLZIAUYOGVVNJY-UHFFFAOYSA-N -1 3 239.271 0.038 20 0 BCADHM COC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000179490228 385470286 /nfs/dbraw/zinc/47/02/86/385470286.db2.gz QKPXGGUDBDCHBW-UHFFFAOYSA-N -1 3 230.245 0.240 20 0 BCADHM CCc1cnc(CNC(=O)c2c[n-]nn2)s1 ZINC000173039112 385540960 /nfs/dbraw/zinc/54/09/60/385540960.db2.gz VYWQNDYLOIENKO-UHFFFAOYSA-N -1 3 237.288 0.754 20 0 BCADHM CCc1cnc(CNC(=O)c2cnn[n-]2)s1 ZINC000173039112 385540966 /nfs/dbraw/zinc/54/09/66/385540966.db2.gz VYWQNDYLOIENKO-UHFFFAOYSA-N -1 3 237.288 0.754 20 0 BCADHM CCc1cnc(CNC(=O)c2cn[n-]n2)s1 ZINC000173039112 385540972 /nfs/dbraw/zinc/54/09/72/385540972.db2.gz VYWQNDYLOIENKO-UHFFFAOYSA-N -1 3 237.288 0.754 20 0 BCADHM O=S(=O)([N-][C@@H]1CCOC1)c1ccccn1 ZINC000340058306 385606771 /nfs/dbraw/zinc/60/67/71/385606771.db2.gz YIVFACDPWHXOEK-MRVPVSSYSA-N -1 3 228.273 0.149 20 0 BCADHM O=c1[n-]nc(CN2CCC[C@@]23CCOC3)s1 ZINC000367450124 385631362 /nfs/dbraw/zinc/63/13/62/385631362.db2.gz NXNOPGBGJICTOT-JTQLQIEISA-N -1 3 241.316 0.999 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CCCO1)c1ccccn1 ZINC000340077796 385644293 /nfs/dbraw/zinc/64/42/93/385644293.db2.gz BSCRWMBFIQBQJI-VIFPVBQESA-N -1 3 242.300 0.539 20 0 BCADHM O=C(N[C@@H]1CCCOC1)c1cccc2nn[n-]c21 ZINC000183579592 385677076 /nfs/dbraw/zinc/67/70/76/385677076.db2.gz FDULTINLGUDGLE-MRVPVSSYSA-N -1 3 246.270 0.867 20 0 BCADHM O=C(N[C@@H]1CCCOC1)c1cccc2[n-]nnc21 ZINC000183579592 385677082 /nfs/dbraw/zinc/67/70/82/385677082.db2.gz FDULTINLGUDGLE-MRVPVSSYSA-N -1 3 246.270 0.867 20 0 BCADHM O=C(N[C@@H]1CCCOC1)c1cccc2n[n-]nc21 ZINC000183579592 385677087 /nfs/dbraw/zinc/67/70/87/385677087.db2.gz FDULTINLGUDGLE-MRVPVSSYSA-N -1 3 246.270 0.867 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-]CC(=O)NC1CC1 ZINC000182523854 385680067 /nfs/dbraw/zinc/68/00/67/385680067.db2.gz ZBUQMRGPGWHFNA-UHFFFAOYSA-N -1 3 239.102 0.575 20 0 BCADHM O=C([N-]c1cnoc1)c1cnn2c1OCCC2 ZINC000645233489 385693235 /nfs/dbraw/zinc/69/32/35/385693235.db2.gz NKBRNPPXESYIQM-UHFFFAOYSA-N -1 3 234.215 0.906 20 0 BCADHM CCN(CC)CC(=O)NCc1ncccc1[O-] ZINC000337557271 385701979 /nfs/dbraw/zinc/70/19/79/385701979.db2.gz KLIOTNXEDPVIQQ-UHFFFAOYSA-N -1 3 237.303 0.745 20 0 BCADHM Cn1ccnc1CNCc1ncccc1[O-] ZINC000309582501 385713731 /nfs/dbraw/zinc/71/37/31/385713731.db2.gz QUQSTXCTNKMPND-UHFFFAOYSA-N -1 3 218.260 0.811 20 0 BCADHM C[C@@]1(C(=O)Nc2ncccc2[O-])CCC(=O)NC1 ZINC000282381982 385755425 /nfs/dbraw/zinc/75/54/25/385755425.db2.gz PJUUDDGETZQKEM-GFCCVEGCSA-N -1 3 249.270 0.642 20 0 BCADHM COC(=O)CN(C)Cc1nc(C)ccc1[O-] ZINC000271074825 385781384 /nfs/dbraw/zinc/78/13/84/385781384.db2.gz NUHAKIULRXVKQE-UHFFFAOYSA-N -1 3 224.260 0.700 20 0 BCADHM CCN(C(=O)c1ccccc1[O-])[C@H]1CCNC1=O ZINC000282996067 385802372 /nfs/dbraw/zinc/80/23/72/385802372.db2.gz LTODBEMTTXPTNF-JTQLQIEISA-N -1 3 248.282 0.743 20 0 BCADHM Cn1ncnc1[N-]C(=O)N1CCCCO1 ZINC000283006897 385803221 /nfs/dbraw/zinc/80/32/21/385803221.db2.gz DFHJNUDOPSOFLK-UHFFFAOYSA-N -1 3 211.225 0.374 20 0 BCADHM COCCO[N-]C(=O)/C=C\c1cncc(F)c1 ZINC000493162238 533147631 /nfs/dbraw/zinc/14/76/31/533147631.db2.gz SOOFDMARBAAHHM-IHWYPQMZSA-N -1 3 240.234 0.928 20 0 BCADHM COCCO[N-]C(=O)C=Cc1c[nH]cn1 ZINC000492865053 533147913 /nfs/dbraw/zinc/14/79/13/533147913.db2.gz OAHRSCPZRRYKQL-NSCUHMNNSA-N -1 3 211.221 0.117 20 0 BCADHM C[C@H](CC(N)=O)C(=O)Nc1ncccc1[O-] ZINC000283217200 385813375 /nfs/dbraw/zinc/81/33/75/385813375.db2.gz AOQSKIYSONCBBV-ZCFIWIBFSA-N -1 3 223.232 0.237 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1cscn1 ZINC000493593720 533148032 /nfs/dbraw/zinc/14/80/32/533148032.db2.gz GMXCDBDLHOCNQT-NSCUHMNNSA-N -1 3 228.273 0.851 20 0 BCADHM Cc1ccc([O-])c(CNCC(F)(F)CO)n1 ZINC000231776420 385819366 /nfs/dbraw/zinc/81/93/66/385819366.db2.gz HCYZNYBGQKXEDQ-UHFFFAOYSA-N -1 3 232.230 0.813 20 0 BCADHM COC[C@H]1CCN1C(=O)c1ccc(O)cc1[O-] ZINC000294228652 385826681 /nfs/dbraw/zinc/82/66/81/385826681.db2.gz FPOOIQCGWFREMJ-MRVPVSSYSA-N -1 3 237.255 0.959 20 0 BCADHM COCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647803459 385838112 /nfs/dbraw/zinc/83/81/12/385838112.db2.gz NJPYWURWUUQWNV-UHFFFAOYSA-N -1 3 221.216 0.853 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1cncc(F)c1 ZINC000493162239 533146701 /nfs/dbraw/zinc/14/67/01/533146701.db2.gz SOOFDMARBAAHHM-NSCUHMNNSA-N -1 3 240.234 0.928 20 0 BCADHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2c[n-]nn2)C1(C)C ZINC000271814781 385853169 /nfs/dbraw/zinc/85/31/69/385853169.db2.gz FQTNVZHHHUXOEE-NBEYISGCSA-N -1 3 238.291 0.594 20 0 BCADHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cnn[n-]2)C1(C)C ZINC000271814781 385853171 /nfs/dbraw/zinc/85/31/71/385853171.db2.gz FQTNVZHHHUXOEE-NBEYISGCSA-N -1 3 238.291 0.594 20 0 BCADHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cn[n-]n2)C1(C)C ZINC000271814781 385853173 /nfs/dbraw/zinc/85/31/73/385853173.db2.gz FQTNVZHHHUXOEE-NBEYISGCSA-N -1 3 238.291 0.594 20 0 BCADHM COCC(C)(C)CC(=O)Nc1n[n-]c(OC)n1 ZINC000413663499 385853808 /nfs/dbraw/zinc/85/38/08/385853808.db2.gz CEOFKTUYQOOSEY-UHFFFAOYSA-N -1 3 242.279 0.815 20 0 BCADHM COCC(C)(C)CC(=O)Nc1nnc(OC)[n-]1 ZINC000413663499 385853809 /nfs/dbraw/zinc/85/38/09/385853809.db2.gz CEOFKTUYQOOSEY-UHFFFAOYSA-N -1 3 242.279 0.815 20 0 BCADHM COCC(C)(C)CC(=O)Nc1nc(OC)n[n-]1 ZINC000413663499 385853812 /nfs/dbraw/zinc/85/38/12/385853812.db2.gz CEOFKTUYQOOSEY-UHFFFAOYSA-N -1 3 242.279 0.815 20 0 BCADHM COCC[C@H](NC(=O)c1c[n-]nn1)C(C)(C)C ZINC000338167113 385906954 /nfs/dbraw/zinc/90/69/54/385906954.db2.gz SSTZNTIMOQOULP-VIFPVBQESA-N -1 3 240.307 0.986 20 0 BCADHM COCC[C@H](NC(=O)c1cnn[n-]1)C(C)(C)C ZINC000338167113 385906961 /nfs/dbraw/zinc/90/69/61/385906961.db2.gz SSTZNTIMOQOULP-VIFPVBQESA-N -1 3 240.307 0.986 20 0 BCADHM COCC[C@H](NC(=O)c1cn[n-]n1)C(C)(C)C ZINC000338167113 385906966 /nfs/dbraw/zinc/90/69/66/385906966.db2.gz SSTZNTIMOQOULP-VIFPVBQESA-N -1 3 240.307 0.986 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1ccncc1F ZINC000338174003 385909442 /nfs/dbraw/zinc/90/94/42/385909442.db2.gz DCTVAFKQXJQVOG-ZCFIWIBFSA-N -1 3 235.222 0.830 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1ccncc1F ZINC000338174003 385909447 /nfs/dbraw/zinc/90/94/47/385909447.db2.gz DCTVAFKQXJQVOG-ZCFIWIBFSA-N -1 3 235.222 0.830 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1ccncc1F ZINC000338174003 385909451 /nfs/dbraw/zinc/90/94/51/385909451.db2.gz DCTVAFKQXJQVOG-ZCFIWIBFSA-N -1 3 235.222 0.830 20 0 BCADHM C[C@@]1(C(=O)Nc2ncccc2[O-])CCCNC1=O ZINC000365207600 385955146 /nfs/dbraw/zinc/95/51/46/385955146.db2.gz XNKFNEMHSZLKDD-GFCCVEGCSA-N -1 3 249.270 0.642 20 0 BCADHM CO[C@H]1CC[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000189155164 385958666 /nfs/dbraw/zinc/95/86/66/385958666.db2.gz OPLQZBDXBHCLDX-RQJHMYQMSA-N -1 3 210.237 0.102 20 0 BCADHM CO[C@H]1CC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000189155164 385958671 /nfs/dbraw/zinc/95/86/71/385958671.db2.gz OPLQZBDXBHCLDX-RQJHMYQMSA-N -1 3 210.237 0.102 20 0 BCADHM CO[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000189155164 385958676 /nfs/dbraw/zinc/95/86/76/385958676.db2.gz OPLQZBDXBHCLDX-RQJHMYQMSA-N -1 3 210.237 0.102 20 0 BCADHM Cc1cscc1NC([O-])=NOCC(N)=O ZINC000273496471 386007199 /nfs/dbraw/zinc/00/71/99/386007199.db2.gz XWUGWJHOLLZYGP-UHFFFAOYSA-N -1 3 229.261 0.595 20 0 BCADHM Cc1cscc1NC(=O)[N-]OCC(N)=O ZINC000273496471 386007202 /nfs/dbraw/zinc/00/72/02/386007202.db2.gz XWUGWJHOLLZYGP-UHFFFAOYSA-N -1 3 229.261 0.595 20 0 BCADHM COCCc1ccnc(NC(=O)c2nnc[n-]2)c1 ZINC000286249209 386014875 /nfs/dbraw/zinc/01/48/75/386014875.db2.gz MNMFTNLQKLIKSW-UHFFFAOYSA-N -1 3 247.258 0.641 20 0 BCADHM COCCc1ccnc(NC(=O)c2nc[n-]n2)c1 ZINC000286249209 386014880 /nfs/dbraw/zinc/01/48/80/386014880.db2.gz MNMFTNLQKLIKSW-UHFFFAOYSA-N -1 3 247.258 0.641 20 0 BCADHM C[C@@H]1CC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000336752567 386018379 /nfs/dbraw/zinc/01/83/79/386018379.db2.gz GZTBDOSRHIWKHG-SVRRBLITSA-N -1 3 203.249 0.937 20 0 BCADHM COC[C@@H](C)C(=O)NCc1cnc(C)[n-]c1=O ZINC000345127135 386033264 /nfs/dbraw/zinc/03/32/64/386033264.db2.gz OCBHFHFCNNYKDW-SSDOTTSWSA-N -1 3 239.275 0.389 20 0 BCADHM C[C@@H]1C[C@H](C)CN1Cc1nc(=O)n(C)[n-]1 ZINC000334435375 386058740 /nfs/dbraw/zinc/05/87/40/386058740.db2.gz ZFXHBCFKWZTQRB-JGVFFNPUSA-N -1 3 210.281 0.339 20 0 BCADHM CN(C)Cc1cccc(CNC(=O)C(=O)[O-])c1 ZINC000274205803 386083302 /nfs/dbraw/zinc/08/33/02/386083302.db2.gz VNAZGIDOGSCMLT-UHFFFAOYSA-N -1 3 236.271 0.449 20 0 BCADHM CCc1cc(=O)[n-]c(CN[C@H](C)[C@@H](C)CO)n1 ZINC000295805576 386086897 /nfs/dbraw/zinc/08/68/97/386086897.db2.gz SWOVBPYOFWHPMJ-DTWKUNHWSA-N -1 3 239.319 0.851 20 0 BCADHM CCC[C@H](O)CS(=O)(=O)c1ncc(CC)[n-]1 ZINC000296023207 386123220 /nfs/dbraw/zinc/12/32/20/386123220.db2.gz URHQRODVCRKJRU-VIFPVBQESA-N -1 3 246.332 0.907 20 0 BCADHM CCC[C@H](O)CS(=O)(=O)c1nc(CC)c[n-]1 ZINC000296023207 386123230 /nfs/dbraw/zinc/12/32/30/386123230.db2.gz URHQRODVCRKJRU-VIFPVBQESA-N -1 3 246.332 0.907 20 0 BCADHM COC[C@H](CO)NC(=O)c1ccc([O-])c(C)c1 ZINC000234763035 386096860 /nfs/dbraw/zinc/09/68/60/386096860.db2.gz RJHGYRMZOUWUIL-JTQLQIEISA-N -1 3 239.271 0.438 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)c1 ZINC000334473938 386145923 /nfs/dbraw/zinc/14/59/23/386145923.db2.gz LXTXHKBTRGNDQI-JGVFFNPUSA-N -1 3 247.295 0.589 20 0 BCADHM CSc1nnc(NC(=O)c2c[nH]cn2)[n-]1 ZINC000340265855 386158248 /nfs/dbraw/zinc/15/82/48/386158248.db2.gz ICSGEWBDBUOOIU-UHFFFAOYSA-N -1 3 224.249 0.502 20 0 BCADHM CSc1n[n-]c(NC(=O)c2c[nH]cn2)n1 ZINC000340265855 386158252 /nfs/dbraw/zinc/15/82/52/386158252.db2.gz ICSGEWBDBUOOIU-UHFFFAOYSA-N -1 3 224.249 0.502 20 0 BCADHM CSc1nc(NC(=O)c2c[nH]cn2)n[n-]1 ZINC000340265855 386158254 /nfs/dbraw/zinc/15/82/54/386158254.db2.gz ICSGEWBDBUOOIU-UHFFFAOYSA-N -1 3 224.249 0.502 20 0 BCADHM C[C@](O)(C(=O)Nc1ncccc1[O-])C1CC1 ZINC000288044451 386163860 /nfs/dbraw/zinc/16/38/60/386163860.db2.gz XMLRHYZWVQRMCG-LLVKDONJSA-N -1 3 222.244 0.887 20 0 BCADHM CSc1nnc(NC(=O)c2cn[nH]c2)[n-]1 ZINC000340268449 386169178 /nfs/dbraw/zinc/16/91/78/386169178.db2.gz XUKXLKROZIIHJK-UHFFFAOYSA-N -1 3 224.249 0.502 20 0 BCADHM CSc1n[n-]c(NC(=O)c2cn[nH]c2)n1 ZINC000340268449 386169181 /nfs/dbraw/zinc/16/91/81/386169181.db2.gz XUKXLKROZIIHJK-UHFFFAOYSA-N -1 3 224.249 0.502 20 0 BCADHM CSc1nc(NC(=O)c2cn[nH]c2)n[n-]1 ZINC000340268449 386169188 /nfs/dbraw/zinc/16/91/88/386169188.db2.gz XUKXLKROZIIHJK-UHFFFAOYSA-N -1 3 224.249 0.502 20 0 BCADHM CO[C@@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000263870988 386186682 /nfs/dbraw/zinc/18/66/82/386186682.db2.gz MQYAZULIJUXMLU-BYPYZUCNSA-N -1 3 216.266 0.500 20 0 BCADHM CO[C@@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000263870988 386186685 /nfs/dbraw/zinc/18/66/85/386186685.db2.gz MQYAZULIJUXMLU-BYPYZUCNSA-N -1 3 216.266 0.500 20 0 BCADHM CO[C@@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000263870988 386186688 /nfs/dbraw/zinc/18/66/88/386186688.db2.gz MQYAZULIJUXMLU-BYPYZUCNSA-N -1 3 216.266 0.500 20 0 BCADHM CC(C)(O)CC[N-]S(=O)(=O)c1ccco1 ZINC000275452205 386213892 /nfs/dbraw/zinc/21/38/92/386213892.db2.gz IOQWXZJGHJMUHR-UHFFFAOYSA-N -1 3 233.289 0.719 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1nnc2n1CCCC2 ZINC000288585806 386216484 /nfs/dbraw/zinc/21/64/84/386216484.db2.gz OEAJCKZFYUPJED-UHFFFAOYSA-N -1 3 244.245 0.886 20 0 BCADHM C[C@@H](F)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000339031815 386217081 /nfs/dbraw/zinc/21/70/81/386217081.db2.gz IHBOAPYCLBNYSC-ZCFIWIBFSA-N -1 3 221.257 0.436 20 0 BCADHM Cc1cc(=O)[n-]c(C=Cc2cnnn2C)n1 ZINC000339115152 386255189 /nfs/dbraw/zinc/25/51/89/386255189.db2.gz AGNAPFIJRGEJDX-ARJAWSKDSA-N -1 3 217.232 0.790 20 0 BCADHM C[C@H](CO)N(Cc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC000347193613 386258586 /nfs/dbraw/zinc/25/85/86/386258586.db2.gz JHZVBNMMCLUBHB-MRVPVSSYSA-N -1 3 240.307 0.636 20 0 BCADHM CC[C@H]1CC[C@@H](C(=O)[N-]c2nncn2C)O1 ZINC000275209182 386193735 /nfs/dbraw/zinc/19/37/35/386193735.db2.gz OOVVLQFRKKDJKP-YUMQZZPRSA-N -1 3 224.264 0.711 20 0 BCADHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000263946689 386195228 /nfs/dbraw/zinc/19/52/28/386195228.db2.gz USIOKFHRMNMESH-SFYZADRCSA-N -1 3 229.305 0.354 20 0 BCADHM CO[C@@H](C)C[N-]S(=O)(=O)c1ccco1 ZINC000276168298 386281233 /nfs/dbraw/zinc/28/12/33/386281233.db2.gz IFVIWHCRPTXMIO-ZETCQYMHSA-N -1 3 219.262 0.593 20 0 BCADHM Cc1noc(C)c1C[N-]S(=O)(=O)C1COC1 ZINC000276281211 386297242 /nfs/dbraw/zinc/29/72/42/386297242.db2.gz HYNHKCKKIPMIGJ-UHFFFAOYSA-N -1 3 246.288 0.110 20 0 BCADHM CC[C@@H](C[N-]S(=O)(=O)c1cn(C)cn1)OC ZINC000289404263 386298668 /nfs/dbraw/zinc/29/86/68/386298668.db2.gz AIIYXTIEVVVNBT-QMMMGPOBSA-N -1 3 247.320 0.123 20 0 BCADHM CCc1cc(=O)[n-]c(CSCCO)n1 ZINC000289428456 386304630 /nfs/dbraw/zinc/30/46/30/386304630.db2.gz QTOZRAQMRCFVCQ-UHFFFAOYSA-N -1 3 214.290 0.970 20 0 BCADHM CN(C)CC(C)(C)[N-]S(=O)(=O)c1ccco1 ZINC000416511284 386321860 /nfs/dbraw/zinc/32/18/60/386321860.db2.gz XAUFXROBPZGQOR-UHFFFAOYSA-N -1 3 246.332 0.898 20 0 BCADHM CO[C@H](C)CNC(=O)c1c([O-])cccc1O ZINC000226323580 386263711 /nfs/dbraw/zinc/26/37/11/386263711.db2.gz LSPSXLDCYQWSTM-SSDOTTSWSA-N -1 3 225.244 0.863 20 0 BCADHM CO[C@@H](C)CNC(=O)c1c([O-])cccc1O ZINC000226323575 386264028 /nfs/dbraw/zinc/26/40/28/386264028.db2.gz LSPSXLDCYQWSTM-ZETCQYMHSA-N -1 3 225.244 0.863 20 0 BCADHM Cn1nccc1CN[C@@]1(C(=O)[O-])CCSC1 ZINC000336652283 386265856 /nfs/dbraw/zinc/26/58/56/386265856.db2.gz BPWMVGLWAOAYKS-JTQLQIEISA-N -1 3 241.316 0.470 20 0 BCADHM CCCCCCC(=O)Nc1[n-]nnc1C(N)=O ZINC000297624274 386265936 /nfs/dbraw/zinc/26/59/36/386265936.db2.gz CHKOITUBWHEPSS-UHFFFAOYSA-N -1 3 239.279 0.813 20 0 BCADHM CCCCCCC(=O)Nc1nn[n-]c1C(N)=O ZINC000297624274 386265944 /nfs/dbraw/zinc/26/59/44/386265944.db2.gz CHKOITUBWHEPSS-UHFFFAOYSA-N -1 3 239.279 0.813 20 0 BCADHM CCCCCCC(=O)Nc1n[n-]nc1C(N)=O ZINC000297624274 386265949 /nfs/dbraw/zinc/26/59/49/386265949.db2.gz CHKOITUBWHEPSS-UHFFFAOYSA-N -1 3 239.279 0.813 20 0 BCADHM O=S(=O)([N-]CCc1cn[nH]c1)c1ccco1 ZINC000647884742 386266777 /nfs/dbraw/zinc/26/67/77/386266777.db2.gz JTOPKQLAIOJFDU-UHFFFAOYSA-N -1 3 241.272 0.524 20 0 BCADHM COc1cc(C(=O)N[C@H](C)C(N)=O)ccc1[O-] ZINC000276062858 386268728 /nfs/dbraw/zinc/26/87/28/386268728.db2.gz DQGVQMIVHXXNLU-ZCFIWIBFSA-N -1 3 238.243 0.004 20 0 BCADHM CCS(=O)(=O)[N-][C@H](CC1CC1)C(=O)OC ZINC000416589548 386341657 /nfs/dbraw/zinc/34/16/57/386341657.db2.gz RRTROWNLBHSWME-MRVPVSSYSA-N -1 3 235.305 0.267 20 0 BCADHM C[C@]1([N-]S(=O)(=O)c2ccco2)CCOC1=O ZINC000289682283 386341854 /nfs/dbraw/zinc/34/18/54/386341854.db2.gz VKCCINCSZKJCAE-VIFPVBQESA-N -1 3 245.256 0.264 20 0 BCADHM CC[C@@H](C)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000298436510 386343174 /nfs/dbraw/zinc/34/31/74/386343174.db2.gz QCBCMHNXAGMWAK-ZCFIWIBFSA-N -1 3 225.248 0.014 20 0 BCADHM CC(C)=CCCNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000276600387 386352357 /nfs/dbraw/zinc/35/23/57/386352357.db2.gz GJRXEEAFPOGOMB-QMMMGPOBSA-N -1 3 239.275 0.057 20 0 BCADHM CO[C@H]1COC[C@@H]1NCc1nc(C)ccc1[O-] ZINC000289857774 386364256 /nfs/dbraw/zinc/36/42/56/386364256.db2.gz QDKBZXBLOSORQA-JQWIXIFHSA-N -1 3 238.287 0.599 20 0 BCADHM O=S(=O)([N-]C[C@H]1CC[C@@H](O)C1)c1ccco1 ZINC000276749319 386371187 /nfs/dbraw/zinc/37/11/87/386371187.db2.gz SQWYWWBRXNSLQA-DTWKUNHWSA-N -1 3 245.300 0.719 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)CC1CCCC1 ZINC000347389828 386378457 /nfs/dbraw/zinc/37/84/57/386378457.db2.gz GCCGGCLGTYOTNZ-UHFFFAOYSA-N -1 3 224.308 0.730 20 0 BCADHM CCCN(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC000347399589 386384256 /nfs/dbraw/zinc/38/42/56/386384256.db2.gz LQGNNARUDLITOH-UHFFFAOYSA-N -1 3 210.281 0.483 20 0 BCADHM CC(C)c1nc(S(=O)(=O)[N-]CCF)cn1C ZINC000416535009 386327412 /nfs/dbraw/zinc/32/74/12/386327412.db2.gz ZOZUFUMADCOLEV-UHFFFAOYSA-N -1 3 249.311 0.791 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3ccco3)C[C@H]12 ZINC000334490155 386334824 /nfs/dbraw/zinc/33/48/24/386334824.db2.gz FNDCOANJQVIKLW-SECBINFHSA-N -1 3 235.243 0.016 20 0 BCADHM CC[C@@H](C)C(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000265430507 386336577 /nfs/dbraw/zinc/33/65/77/386336577.db2.gz IIQOTLRYYGUGAY-ZCFIWIBFSA-N -1 3 240.263 0.505 20 0 BCADHM CC[C@@H](C)C(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000265430507 386336582 /nfs/dbraw/zinc/33/65/82/386336582.db2.gz IIQOTLRYYGUGAY-ZCFIWIBFSA-N -1 3 240.263 0.505 20 0 BCADHM CC[C@@H](C)C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000265430507 386336588 /nfs/dbraw/zinc/33/65/88/386336588.db2.gz IIQOTLRYYGUGAY-ZCFIWIBFSA-N -1 3 240.263 0.505 20 0 BCADHM CO[C@H](C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351381101 386439695 /nfs/dbraw/zinc/43/96/95/386439695.db2.gz YHPFFAJNWXEPSH-RXMQYKEDSA-N -1 3 222.204 0.940 20 0 BCADHM CO[C@@H](C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351381102 386441493 /nfs/dbraw/zinc/44/14/93/386441493.db2.gz YHPFFAJNWXEPSH-YFKPBYRVSA-N -1 3 222.204 0.940 20 0 BCADHM COC(=O)CN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000227016275 386448245 /nfs/dbraw/zinc/44/82/45/386448245.db2.gz UXXSIWABKQMMRR-UHFFFAOYSA-N -1 3 237.255 0.946 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CC12CC2 ZINC000643337625 386395747 /nfs/dbraw/zinc/39/57/47/386395747.db2.gz HCXNRCBAMPLCFR-LURJTMIESA-N -1 3 235.243 0.935 20 0 BCADHM CC(C)C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000347467168 386415394 /nfs/dbraw/zinc/41/53/94/386415394.db2.gz PZSHHIXGWDMYFB-JTQLQIEISA-N -1 3 238.335 0.976 20 0 BCADHM CO[C@H](C)CN(Cc1nc(=O)n(C)[n-]1)C(C)C ZINC000347464624 386415478 /nfs/dbraw/zinc/41/54/78/386415478.db2.gz MMQPLZFXROKOSR-SECBINFHSA-N -1 3 242.323 0.354 20 0 BCADHM CCC(C)(C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000347492005 386420965 /nfs/dbraw/zinc/42/09/65/386420965.db2.gz WPOBLCQJXRCETI-UHFFFAOYSA-N -1 3 212.297 0.729 20 0 BCADHM Cn1cc(C(=O)N[C@@H]2CC2(C)C)c(=O)[n-]c1=O ZINC000299175499 386422256 /nfs/dbraw/zinc/42/22/56/386422256.db2.gz XBBDXNKAOUKTDN-SSDOTTSWSA-N -1 3 237.259 0.014 20 0 BCADHM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](N)C1CCC1 ZINC000399137446 386423673 /nfs/dbraw/zinc/42/36/73/386423673.db2.gz RTKJITPXKYNDLT-GZMMTYOYSA-N -1 3 242.319 0.826 20 0 BCADHM CCc1nc(C(=O)[N-]c2nc[nH]n2)co1 ZINC000347515521 386427868 /nfs/dbraw/zinc/42/78/68/386427868.db2.gz FMPUMAGGKHRYJP-UHFFFAOYSA-N -1 3 207.193 0.607 20 0 BCADHM Cn1[n-]c(CN2CC[C@@H](CC3CC3)C2)nc1=O ZINC000339685474 386519471 /nfs/dbraw/zinc/51/94/71/386519471.db2.gz BXEMVGXAGLJJLF-JTQLQIEISA-N -1 3 236.319 0.730 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CC2CCC2)n1 ZINC000335452866 386525967 /nfs/dbraw/zinc/52/59/67/386525967.db2.gz NPSDDGUDPXEBBZ-UHFFFAOYSA-N -1 3 229.305 0.499 20 0 BCADHM CCO[C@H](C)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267803102 386586797 /nfs/dbraw/zinc/58/67/97/386586797.db2.gz BIYZYCHEAUHNKG-ZCFIWIBFSA-N -1 3 241.247 0.560 20 0 BCADHM C[C@@]1(NC(=O)c2cccc3nn[n-]c32)CCOC1 ZINC000525870135 386594417 /nfs/dbraw/zinc/59/44/17/386594417.db2.gz RBKWUHIHGTXULD-GFCCVEGCSA-N -1 3 246.270 0.867 20 0 BCADHM C[C@@]1(NC(=O)c2cccc3[n-]nnc32)CCOC1 ZINC000525870135 386594422 /nfs/dbraw/zinc/59/44/22/386594422.db2.gz RBKWUHIHGTXULD-GFCCVEGCSA-N -1 3 246.270 0.867 20 0 BCADHM C[C@@]1(NC(=O)c2cccc3n[n-]nc32)CCOC1 ZINC000525870135 386594428 /nfs/dbraw/zinc/59/44/28/386594428.db2.gz RBKWUHIHGTXULD-GFCCVEGCSA-N -1 3 246.270 0.867 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000519717439 386537516 /nfs/dbraw/zinc/53/75/16/386537516.db2.gz UWHQWOSMHCWHMW-MBTKJCJQSA-N -1 3 241.316 0.497 20 0 BCADHM CCc1cc(C(=O)N(C)CC(N)=O)ccc1[O-] ZINC000291428638 386546665 /nfs/dbraw/zinc/54/66/65/386546665.db2.gz HMYICNDNYUOWDR-UHFFFAOYSA-N -1 3 236.271 0.512 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CC(C)(C)C)n1 ZINC000335463510 386548312 /nfs/dbraw/zinc/54/83/12/386548312.db2.gz VRVXOIKPWBYUGE-UHFFFAOYSA-N -1 3 231.321 0.745 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)C1CC1 ZINC000335403371 386557454 /nfs/dbraw/zinc/55/74/54/386557454.db2.gz OHTTVKOHNUVSJF-SSDOTTSWSA-N -1 3 229.305 0.497 20 0 BCADHM O=C(N[C@H]1CCOC1)c1ccc2n[n-]nc2c1 ZINC000179185640 386625250 /nfs/dbraw/zinc/62/52/50/386625250.db2.gz OWRAPAMLBWTXBZ-QMMMGPOBSA-N -1 3 232.243 0.477 20 0 BCADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OC/C=C/Cl ZINC000291908899 386599869 /nfs/dbraw/zinc/59/98/69/386599869.db2.gz SPHQWUGHYNKXLZ-JKUGOPFISA-N -1 3 247.678 0.986 20 0 BCADHM CO[C@@](C)(C(=O)[N-]c1nncn1C)C1CC1 ZINC000291956587 386601557 /nfs/dbraw/zinc/60/15/57/386601557.db2.gz QXDZGAZQUMNXMP-SNVBAGLBSA-N -1 3 224.264 0.569 20 0 BCADHM O=C(Nc1nnc2ccccn21)c1cnn[n-]1 ZINC000337090835 386607930 /nfs/dbraw/zinc/60/79/30/386607930.db2.gz KIJLYSPZUWXGDG-UHFFFAOYSA-N -1 3 229.203 0.100 20 0 BCADHM O=C(Nc1nnc2ccccn21)c1c[n-]nn1 ZINC000337090835 386607936 /nfs/dbraw/zinc/60/79/36/386607936.db2.gz KIJLYSPZUWXGDG-UHFFFAOYSA-N -1 3 229.203 0.100 20 0 BCADHM O=C(Nc1nnc2ccccn21)c1cn[n-]n1 ZINC000337090835 386607941 /nfs/dbraw/zinc/60/79/41/386607941.db2.gz KIJLYSPZUWXGDG-UHFFFAOYSA-N -1 3 229.203 0.100 20 0 BCADHM CC[C@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000291997802 386608211 /nfs/dbraw/zinc/60/82/11/386608211.db2.gz KYNREKCUVCEGBK-ZETCQYMHSA-N -1 3 219.262 0.329 20 0 BCADHM C[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000026746069 386613995 /nfs/dbraw/zinc/61/39/95/386613995.db2.gz SOCCKRPHCZBGCE-UHFFFAOYSA-N -1 3 246.263 0.692 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)CCC1CC1)C(=O)OC ZINC000336647299 386669170 /nfs/dbraw/zinc/66/91/70/386669170.db2.gz FONIONOILORJAS-VIFPVBQESA-N -1 3 249.332 0.658 20 0 BCADHM O=C([O-])C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000062983721 386682400 /nfs/dbraw/zinc/68/24/00/386682400.db2.gz UCNXLRVNGOACAW-SECBINFHSA-N -1 3 226.276 0.158 20 0 BCADHM CC(C)C[C@H](C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000120875411 386669635 /nfs/dbraw/zinc/66/96/35/386669635.db2.gz DKDXGWOUNQMAEF-QMMMGPOBSA-N -1 3 241.291 0.089 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3ccon3)C[C@@H]12 ZINC000329463197 386678478 /nfs/dbraw/zinc/67/84/78/386678478.db2.gz UGLSBNUWUOUGCE-QMMMGPOBSA-N -1 3 236.231 0.251 20 0 BCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccco2)CO1 ZINC000335469197 386686181 /nfs/dbraw/zinc/68/61/81/386686181.db2.gz FMKNIKRRBMNYOH-HTQZYQBOSA-N -1 3 231.273 0.735 20 0 BCADHM CC[C@H](COC)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268821989 386702230 /nfs/dbraw/zinc/70/22/30/386702230.db2.gz JYJFHJOGJYSUNT-MRVPVSSYSA-N -1 3 239.275 0.645 20 0 BCADHM O=S(=O)([N-]C1(CF)CCC1)c1c[nH]cn1 ZINC000335486887 386715981 /nfs/dbraw/zinc/71/59/81/386715981.db2.gz RJGJJJHOUIMGMA-UHFFFAOYSA-N -1 3 233.268 0.580 20 0 BCADHM Cn1ccc(NC([O-])=NOCC2CC2)n1 ZINC000292795207 386726620 /nfs/dbraw/zinc/72/66/20/386726620.db2.gz BBQMHJWPFXEYRO-UHFFFAOYSA-N -1 3 210.237 0.883 20 0 BCADHM Cn1ccc(NC(=O)[N-]OCC2CC2)n1 ZINC000292795207 386726622 /nfs/dbraw/zinc/72/66/22/386726622.db2.gz BBQMHJWPFXEYRO-UHFFFAOYSA-N -1 3 210.237 0.883 20 0 BCADHM Cc1nnc(CC(=O)Nc2nc(C)ccc2[O-])o1 ZINC000293034673 386769274 /nfs/dbraw/zinc/76/92/74/386769274.db2.gz VRHUQTCQVDQMBO-UHFFFAOYSA-N -1 3 248.242 0.968 20 0 BCADHM O=C(C[C@H]1CCCC(=O)N1)Nc1ccncc1[O-] ZINC000348531921 386753568 /nfs/dbraw/zinc/75/35/68/386753568.db2.gz NXBXSUWQANMBPY-MRVPVSSYSA-N -1 3 249.270 0.206 20 0 BCADHM CC1(C(=O)Cn2cc(Cl)c(=O)[n-]c2=O)CC1 ZINC000280025517 386769206 /nfs/dbraw/zinc/76/92/06/386769206.db2.gz VHJKUVPTGYTRFO-UHFFFAOYSA-N -1 3 242.662 0.972 20 0 BCADHM COc1ncc(/C=C/C(=O)[N-]OCC2CC2)cn1 ZINC000492805487 533192355 /nfs/dbraw/zinc/19/23/55/533192355.db2.gz JDCJWEOIYQJFHS-SNAWJCMRSA-N -1 3 249.270 0.956 20 0 BCADHM CSCCO[N-]C(=O)[C@H]1C[C@@H]1c1nnc[nH]1 ZINC000366539989 386774783 /nfs/dbraw/zinc/77/47/83/386774783.db2.gz MECUZIGNTOCWDT-BQBZGAKWSA-N -1 3 242.304 0.319 20 0 BCADHM CCc1cc(C(=O)N[C@H]2CNC(=O)C2)ccc1[O-] ZINC000335682226 386775104 /nfs/dbraw/zinc/77/51/04/386775104.db2.gz TYJXQEKVWQTDKA-SNVBAGLBSA-N -1 3 248.282 0.573 20 0 BCADHM COCC1([N-]S(=O)(=O)c2ccco2)CC1 ZINC000527076926 386775613 /nfs/dbraw/zinc/77/56/13/386775613.db2.gz LRXVFPRPROVYKN-UHFFFAOYSA-N -1 3 231.273 0.737 20 0 BCADHM COC(=O)c1cnc(SCC(OC)OC)[n-]1 ZINC000280068584 386776097 /nfs/dbraw/zinc/77/60/97/386776097.db2.gz ZXQPCIDTVKKFEN-UHFFFAOYSA-N -1 3 246.288 0.907 20 0 BCADHM CSCCO[N-]C(=O)/C=C/c1ccncn1 ZINC000280175291 386786657 /nfs/dbraw/zinc/78/66/57/386786657.db2.gz ZIEVABXXBAQIMF-NSCUHMNNSA-N -1 3 239.300 0.901 20 0 BCADHM CN(CC1(CO)CC1)C(=O)c1csc(=O)[n-]1 ZINC000329935302 386816345 /nfs/dbraw/zinc/81/63/45/386816345.db2.gz QXYRVLZRXFHJMO-UHFFFAOYSA-N -1 3 242.300 0.693 20 0 BCADHM CCCCS(=O)(=O)[N-]Cc1nnc(CC)o1 ZINC000341040312 386824993 /nfs/dbraw/zinc/82/49/93/386824993.db2.gz XROLFCXGUKKWPO-UHFFFAOYSA-N -1 3 247.320 0.852 20 0 BCADHM CO[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC000395314971 386810891 /nfs/dbraw/zinc/81/08/91/386810891.db2.gz QMKKQSKXONZZRV-GHMZBOCLSA-N -1 3 237.255 0.224 20 0 BCADHM CN(C)c1n[nH]c([N-]C(=O)C(C)(F)F)n1 ZINC000293543125 386831774 /nfs/dbraw/zinc/83/17/74/386831774.db2.gz DALVJWUQHSUISJ-UHFFFAOYSA-N -1 3 219.195 0.464 20 0 BCADHM CC(C)n1cc(S(=O)(=O)[N-]CCF)cn1 ZINC000280734204 386841534 /nfs/dbraw/zinc/84/15/34/386841534.db2.gz KGIKZBWNSFLPDG-UHFFFAOYSA-N -1 3 235.284 0.712 20 0 BCADHM C[C@@H]1[C@H](C)N(C)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000341134794 386845091 /nfs/dbraw/zinc/84/50/91/386845091.db2.gz YETQOLBDGGOQJT-JGVFFNPUSA-N -1 3 225.296 0.035 20 0 BCADHM Cc1ccnc(NCCCc2nc(=O)[n-][nH]2)c1 ZINC000301632359 386860288 /nfs/dbraw/zinc/86/02/88/386860288.db2.gz JPLXLAVPINTSFO-UHFFFAOYSA-N -1 3 233.275 0.846 20 0 BCADHM Cc1c(CC(=O)[N-]OCC2CC2)cnn1C ZINC000293731036 386869924 /nfs/dbraw/zinc/86/99/24/386869924.db2.gz HTMURLVZBPPNQR-UHFFFAOYSA-N -1 3 223.276 0.729 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)c1ccon1 ZINC000357948021 386870726 /nfs/dbraw/zinc/87/07/26/386870726.db2.gz RMKGRVYKIFRNOH-YFKPBYRVSA-N -1 3 207.193 0.284 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)c1ccon1 ZINC000357948021 386870734 /nfs/dbraw/zinc/87/07/34/386870734.db2.gz RMKGRVYKIFRNOH-YFKPBYRVSA-N -1 3 207.193 0.284 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1ccon1 ZINC000357948021 386870740 /nfs/dbraw/zinc/87/07/40/386870740.db2.gz RMKGRVYKIFRNOH-YFKPBYRVSA-N -1 3 207.193 0.284 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)C(N)=O)c1 ZINC000330766967 386882040 /nfs/dbraw/zinc/88/20/40/386882040.db2.gz VUVOXPNYNSLQJR-LURJTMIESA-N -1 3 246.292 0.105 20 0 BCADHM CCN(C[C@H](C)O)C(=O)c1ccc2n[n-]nc2c1 ZINC000341341703 386885627 /nfs/dbraw/zinc/88/56/27/386885627.db2.gz PPJMGPDOIZNIRC-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM Cc1cc(C(=O)N2CC(F)C2)[n-]c(=O)n1 ZINC000331943078 386927768 /nfs/dbraw/zinc/92/77/68/386927768.db2.gz JPALYCAPYWSJDK-UHFFFAOYSA-N -1 3 211.196 0.285 20 0 BCADHM O=C(CCOCC1CC1)Nc1ccncc1[O-] ZINC000358335768 386937268 /nfs/dbraw/zinc/93/72/68/386937268.db2.gz IOYMNSOMSVWGLP-UHFFFAOYSA-N -1 3 236.271 0.964 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCOC2)o1 ZINC000358459404 386959744 /nfs/dbraw/zinc/95/97/44/386959744.db2.gz GLZFVDDANATZIR-VIFPVBQESA-N -1 3 245.300 0.903 20 0 BCADHM CN(C)c1nc(C(=O)NCC2CC2)cc(=O)[n-]1 ZINC000332187577 386965374 /nfs/dbraw/zinc/96/53/74/386965374.db2.gz YJZXSDFRMXGRHP-UHFFFAOYSA-N -1 3 236.275 0.388 20 0 BCADHM COC(=O)c1ccnc(NC(=O)c2nc[n-]n2)c1 ZINC000358532926 386975943 /nfs/dbraw/zinc/97/59/43/386975943.db2.gz UWXIWORHWCZPLE-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM Cn1cnc2cc(NC(=O)c3nc[n-]n3)ccc21 ZINC000358591436 386985570 /nfs/dbraw/zinc/98/55/70/386985570.db2.gz PBDSMAAYSZVIHE-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]Cc1ncoc1C ZINC000331274299 386994485 /nfs/dbraw/zinc/99/44/85/386994485.db2.gz NAFYECBGULWRRZ-SSDOTTSWSA-N -1 3 248.304 0.437 20 0 BCADHM CO[C@H](C)C[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000331286050 386996260 /nfs/dbraw/zinc/99/62/60/386996260.db2.gz TZHVPQCZKOXVSS-MRVPVSSYSA-N -1 3 248.304 0.437 20 0 BCADHM CCCn1c(=O)[n-]nc1S[C@@H]1CCNC1=O ZINC000332640769 386996914 /nfs/dbraw/zinc/99/69/14/386996914.db2.gz KGRUYIAMBHKTLJ-ZCFIWIBFSA-N -1 3 242.304 0.374 20 0 BCADHM CC(C)C[C@@H](CNC(=O)[C@@H](N)C(C)C)C(=O)[O-] ZINC000094703878 386951607 /nfs/dbraw/zinc/95/16/07/386951607.db2.gz NCCNVPVHUVLYCD-UWVGGRQHSA-N -1 3 244.335 0.833 20 0 BCADHM CCCC[C@@H]([N-]S(C)(=O)=O)C(=O)OC ZINC000186121817 387071253 /nfs/dbraw/zinc/07/12/53/387071253.db2.gz RAOIFMLRUKUXMK-SSDOTTSWSA-N -1 3 223.294 0.267 20 0 BCADHM CCCC[C@@H]([N-]S(=O)(=O)C1CC1)C(=O)OC ZINC000186127017 387071554 /nfs/dbraw/zinc/07/15/54/387071554.db2.gz ZZWFHORDNVRQGE-SECBINFHSA-N -1 3 249.332 0.800 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@@H](O)C1CCCCC1 ZINC000188847253 387098293 /nfs/dbraw/zinc/09/82/93/387098293.db2.gz RELXBSFHYDVVQZ-VIFPVBQESA-N -1 3 238.291 0.695 20 0 BCADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC1 ZINC000336345269 387173624 /nfs/dbraw/zinc/17/36/24/387173624.db2.gz NXEAXJURFGEIDG-UHFFFAOYSA-N -1 3 230.223 0.416 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000359843714 387175147 /nfs/dbraw/zinc/17/51/47/387175147.db2.gz JQYUVDMXKDJZPP-UHFFFAOYSA-N -1 3 244.272 0.634 20 0 BCADHM Cc1ccc(C(=O)NC2(CO)CC2)c([O-])c1 ZINC000161310009 387185405 /nfs/dbraw/zinc/18/54/05/387185405.db2.gz APGAEUJFTWWUDC-UHFFFAOYSA-N -1 3 221.256 0.955 20 0 BCADHM CC(=O)N1CC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000336358254 387186681 /nfs/dbraw/zinc/18/66/81/387186681.db2.gz BRFDXMLJTVECFF-NSHDSACASA-N -1 3 248.282 0.743 20 0 BCADHM Nc1ccnc(CNC(=O)c2ccccc2[O-])n1 ZINC000120668294 387192244 /nfs/dbraw/zinc/19/22/44/387192244.db2.gz IFZXIKUYAXWSQT-UHFFFAOYSA-N -1 3 244.254 0.694 20 0 BCADHM COC(=O)c1cnc(SCC(=O)N(C)C)[n-]1 ZINC000187592371 387206074 /nfs/dbraw/zinc/20/60/74/387206074.db2.gz USFKPWPCAXXIRI-UHFFFAOYSA-N -1 3 243.288 0.377 20 0 BCADHM CC[C@@H](O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000230024796 387229286 /nfs/dbraw/zinc/22/92/86/387229286.db2.gz IORQUORPNJFGRP-MRVPVSSYSA-N -1 3 248.304 0.341 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CC1(C)C ZINC000336420873 387250342 /nfs/dbraw/zinc/25/03/42/387250342.db2.gz QLRXMQCQBADSRW-ZETCQYMHSA-N -1 3 210.281 0.339 20 0 BCADHM CC(C)[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000336370506 387201874 /nfs/dbraw/zinc/20/18/74/387201874.db2.gz UVCKMPDSZDWMDX-SECBINFHSA-N -1 3 224.308 0.729 20 0 BCADHM CN(CCC(N)=O)C(=O)c1cccc([O-])c1 ZINC000286190010 387316431 /nfs/dbraw/zinc/31/64/31/387316431.db2.gz KEBZXJNHKNJOJO-UHFFFAOYSA-N -1 3 222.244 0.340 20 0 BCADHM C[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]1C ZINC000336447102 387275290 /nfs/dbraw/zinc/27/52/90/387275290.db2.gz OXHVOUVSWLZBGQ-SFYZADRCSA-N -1 3 210.281 0.339 20 0 BCADHM CC(C)[C@H](O)CC(=O)NCc1ncccc1[O-] ZINC000352516643 387286151 /nfs/dbraw/zinc/28/61/51/387286151.db2.gz MNBUDVYFQXKYTM-LLVKDONJSA-N -1 3 238.287 0.810 20 0 BCADHM Cc1ocnc1C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000161977224 387289081 /nfs/dbraw/zinc/28/90/81/387289081.db2.gz MVSLDAJPNOEYRZ-UHFFFAOYSA-N -1 3 242.260 0.185 20 0 BCADHM Cc1ccc([O-])c(CN(C)Cc2nncn2C)n1 ZINC000290063210 387303483 /nfs/dbraw/zinc/30/34/83/387303483.db2.gz FKNHYYIZFSCQAP-UHFFFAOYSA-N -1 3 247.302 0.856 20 0 BCADHM CSCCO[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC000373628577 387384322 /nfs/dbraw/zinc/38/43/22/387384322.db2.gz BIRCRWBRBIBTOD-PSASIEDQSA-N -1 3 231.317 0.824 20 0 BCADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)CO1 ZINC000515056872 387326334 /nfs/dbraw/zinc/32/63/34/387326334.db2.gz PTLNZUYEBMZWNF-BQBZGAKWSA-N -1 3 248.329 0.599 20 0 BCADHM N[C@@H](C(=O)NCc1ncccc1[O-])C(F)(F)F ZINC000515058095 387327468 /nfs/dbraw/zinc/32/74/68/387327468.db2.gz HHCUXBYNMIXJPS-ZETCQYMHSA-N -1 3 249.192 0.293 20 0 BCADHM NC(C(=O)NCc1ncccc1[O-])C(F)(F)F ZINC000515058095 387327473 /nfs/dbraw/zinc/32/74/73/387327473.db2.gz HHCUXBYNMIXJPS-ZETCQYMHSA-N -1 3 249.192 0.293 20 0 BCADHM CSc1nnc(NC(=O)c2cc[nH]n2)[n-]1 ZINC000354129592 387334567 /nfs/dbraw/zinc/33/45/67/387334567.db2.gz QLNCLAINBTUJOB-UHFFFAOYSA-N -1 3 224.249 0.502 20 0 BCADHM CSc1n[n-]c(NC(=O)c2cc[nH]n2)n1 ZINC000354129592 387334571 /nfs/dbraw/zinc/33/45/71/387334571.db2.gz QLNCLAINBTUJOB-UHFFFAOYSA-N -1 3 224.249 0.502 20 0 BCADHM CSc1nc(NC(=O)c2cc[nH]n2)n[n-]1 ZINC000354129592 387334577 /nfs/dbraw/zinc/33/45/77/387334577.db2.gz QLNCLAINBTUJOB-UHFFFAOYSA-N -1 3 224.249 0.502 20 0 BCADHM C[C@@H](CN(C)c1ncccn1)c1nnn[n-]1 ZINC000095244202 387454538 /nfs/dbraw/zinc/45/45/38/387454538.db2.gz BEGLEPJXMRBVEF-ZETCQYMHSA-N -1 3 219.252 0.230 20 0 BCADHM C[C@@H](CN(C)c1ncccn1)c1nn[n-]n1 ZINC000095244202 387454542 /nfs/dbraw/zinc/45/45/42/387454542.db2.gz BEGLEPJXMRBVEF-ZETCQYMHSA-N -1 3 219.252 0.230 20 0 BCADHM O=C(c1ccccc1[O-])N1CCc2n[nH]nc2C1 ZINC000396847156 387503199 /nfs/dbraw/zinc/50/31/99/387503199.db2.gz KZFWJPJMNXWGGY-UHFFFAOYSA-N -1 3 244.254 0.709 20 0 BCADHM COCC1(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000527167515 387513450 /nfs/dbraw/zinc/51/34/50/387513450.db2.gz PDKSVLPDFGTJMY-UHFFFAOYSA-N -1 3 228.273 0.758 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1C[C@@H](O)C2(CC2)C1 ZINC000375289669 387524181 /nfs/dbraw/zinc/52/41/81/387524181.db2.gz ZMHBVPIHZCKHLY-LLVKDONJSA-N -1 3 249.266 0.695 20 0 BCADHM C[C@@H](CO)N(Cc1n[nH]c(=O)[n-]1)CC1CCC1 ZINC000361495640 387471460 /nfs/dbraw/zinc/47/14/60/387471460.db2.gz GNKPADXEPYHSGW-QMMMGPOBSA-N -1 3 240.307 0.493 20 0 BCADHM Cc1cnc(C(=O)NCc2nnc[nH]2)c([O-])c1 ZINC000426644771 387585047 /nfs/dbraw/zinc/58/50/47/387585047.db2.gz ANMHWIJPZOIRGK-UHFFFAOYSA-N -1 3 233.231 0.144 20 0 BCADHM Cc1cc(CC(=O)Nc2ncccc2[O-])[nH]n1 ZINC000123968618 387600223 /nfs/dbraw/zinc/60/02/23/387600223.db2.gz ZNMKFRAXWIDPRE-UHFFFAOYSA-N -1 3 232.243 1.000 20 0 BCADHM Cc1cc(CC(=O)Nc2ncccc2[O-])n[nH]1 ZINC000123968618 387600230 /nfs/dbraw/zinc/60/02/30/387600230.db2.gz ZNMKFRAXWIDPRE-UHFFFAOYSA-N -1 3 232.243 1.000 20 0 BCADHM Cc1occc1C(=O)Nc1[n-]nnc1C(N)=O ZINC000362403531 387608735 /nfs/dbraw/zinc/60/87/35/387608735.db2.gz PNHOAMVLKVZIRC-UHFFFAOYSA-N -1 3 235.203 0.057 20 0 BCADHM Cc1occc1C(=O)Nc1nn[n-]c1C(N)=O ZINC000362403531 387608739 /nfs/dbraw/zinc/60/87/39/387608739.db2.gz PNHOAMVLKVZIRC-UHFFFAOYSA-N -1 3 235.203 0.057 20 0 BCADHM Cc1occc1C(=O)Nc1n[n-]nc1C(N)=O ZINC000362403531 387608742 /nfs/dbraw/zinc/60/87/42/387608742.db2.gz PNHOAMVLKVZIRC-UHFFFAOYSA-N -1 3 235.203 0.057 20 0 BCADHM CSc1nnc(NC(=O)[C@@H]2CCO[C@H]2C)[n-]1 ZINC000356073646 387614249 /nfs/dbraw/zinc/61/42/49/387614249.db2.gz XXQBWVXLBLPIGM-NTSWFWBYSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H]2CCO[C@H]2C)n1 ZINC000356073646 387614251 /nfs/dbraw/zinc/61/42/51/387614251.db2.gz XXQBWVXLBLPIGM-NTSWFWBYSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nc(NC(=O)[C@@H]2CCO[C@H]2C)n[n-]1 ZINC000356073646 387614253 /nfs/dbraw/zinc/61/42/53/387614253.db2.gz XXQBWVXLBLPIGM-NTSWFWBYSA-N -1 3 242.304 0.890 20 0 BCADHM C[C@@H](CO)C[N-]S(=O)(=O)c1cscn1 ZINC000645555982 387655207 /nfs/dbraw/zinc/65/52/07/387655207.db2.gz ZIUAVRZTBUAPQS-ZCFIWIBFSA-N -1 3 236.318 0.050 20 0 BCADHM Cn1cnc([N-]C(=O)c2cn3ccnc3s2)n1 ZINC000356443786 387660615 /nfs/dbraw/zinc/66/06/15/387660615.db2.gz MJMYZLSLSVZIOX-UHFFFAOYSA-N -1 3 248.271 0.777 20 0 BCADHM CO[N-]C(=O)[C@H]1C[C@]1(C)Br ZINC000527824549 387745521 /nfs/dbraw/zinc/74/55/21/387745521.db2.gz YMSMURUMEILWPT-XINAWCOVSA-N -1 3 208.055 0.838 20 0 BCADHM CO[C@H](C)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000377171364 387697350 /nfs/dbraw/zinc/69/73/50/387697350.db2.gz GFSWAIUQGCVENW-MRVPVSSYSA-N -1 3 247.258 0.636 20 0 BCADHM N[C@H](CC1CCCCC1)C(=O)Nc1nnn[n-]1 ZINC000422914416 387771123 /nfs/dbraw/zinc/77/11/23/387771123.db2.gz UCWBUDQIGFEBAU-MRVPVSSYSA-N -1 3 238.295 0.436 20 0 BCADHM N[C@H](CC1CCCCC1)C(=O)Nc1nn[n-]n1 ZINC000422914416 387771129 /nfs/dbraw/zinc/77/11/29/387771129.db2.gz UCWBUDQIGFEBAU-MRVPVSSYSA-N -1 3 238.295 0.436 20 0 BCADHM CCO[N-]C(=O)C1(N)Cc2ccccc2C1 ZINC000378208083 387772156 /nfs/dbraw/zinc/77/21/56/387772156.db2.gz FUHPGVRPIRVOGK-UHFFFAOYSA-N -1 3 220.272 0.550 20 0 BCADHM CC1(C)OC[C@H]2C[C@]21N=c1ncnc2[nH][n-]cc1-2 ZINC000528124363 387859271 /nfs/dbraw/zinc/85/92/71/387859271.db2.gz AGMKJHYQTOIMNF-KRTXAFLBSA-N -1 3 245.286 0.706 20 0 BCADHM CO[C@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000267855909 387818995 /nfs/dbraw/zinc/81/89/95/387818995.db2.gz GAGRJMMVAFZERZ-VIFPVBQESA-N -1 3 246.270 0.819 20 0 BCADHM COC[C@H](CCO)NCc1nc(C)ccc1[O-] ZINC000219127267 387891959 /nfs/dbraw/zinc/89/19/59/387891959.db2.gz ZSPFKHSFSDHRLO-JTQLQIEISA-N -1 3 240.303 0.583 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1ccn(C)n1)C1CCC1 ZINC000645631371 387911407 /nfs/dbraw/zinc/91/14/07/387911407.db2.gz QNBXEMKLIVMCBQ-QMMMGPOBSA-N -1 3 243.332 0.887 20 0 BCADHM CCC[C@@]1(CO)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000444772571 387927871 /nfs/dbraw/zinc/92/78/71/387927871.db2.gz OEBJEULHOXMSTM-NSHDSACASA-N -1 3 240.307 0.637 20 0 BCADHM NC(=O)NCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000243330590 387939015 /nfs/dbraw/zinc/93/90/15/387939015.db2.gz LOPVSMYKEFKOQW-UHFFFAOYSA-N -1 3 243.650 0.652 20 0 BCADHM CC[C@H](O)CS(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000453026891 387965496 /nfs/dbraw/zinc/96/54/96/387965496.db2.gz NHDXQNBUYIULJO-ZETCQYMHSA-N -1 3 244.316 0.443 20 0 BCADHM CCCN(C)S(=O)(=O)[N-]c1cc(C)n(C)n1 ZINC000439056807 387977575 /nfs/dbraw/zinc/97/75/75/387977575.db2.gz LWRDZJCQPMEBAL-UHFFFAOYSA-N -1 3 246.336 0.727 20 0 BCADHM CSc1nnc(NC(=O)[C@@H]2CO[C@@H](C)C2)[n-]1 ZINC000439475702 388003166 /nfs/dbraw/zinc/00/31/66/388003166.db2.gz YZECRAZLGQJJRK-WDSKDSINSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H]2CO[C@@H](C)C2)n1 ZINC000439475702 388003170 /nfs/dbraw/zinc/00/31/70/388003170.db2.gz YZECRAZLGQJJRK-WDSKDSINSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nc(NC(=O)[C@@H]2CO[C@@H](C)C2)n[n-]1 ZINC000439475702 388003172 /nfs/dbraw/zinc/00/31/72/388003172.db2.gz YZECRAZLGQJJRK-WDSKDSINSA-N -1 3 242.304 0.890 20 0 BCADHM CN(C)[C@@H](CNC(=O)c1c[n-]nn1)c1ccco1 ZINC000108285541 388024176 /nfs/dbraw/zinc/02/41/76/388024176.db2.gz BUHFNGLPXJDDTM-VIFPVBQESA-N -1 3 249.274 0.430 20 0 BCADHM CN(C)[C@@H](CNC(=O)c1cnn[n-]1)c1ccco1 ZINC000108285541 388024180 /nfs/dbraw/zinc/02/41/80/388024180.db2.gz BUHFNGLPXJDDTM-VIFPVBQESA-N -1 3 249.274 0.430 20 0 BCADHM CN(C)[C@@H](CNC(=O)c1cn[n-]n1)c1ccco1 ZINC000108285541 388024183 /nfs/dbraw/zinc/02/41/83/388024183.db2.gz BUHFNGLPXJDDTM-VIFPVBQESA-N -1 3 249.274 0.430 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCC[C@H](O)C2)n[n-]1 ZINC000439745907 388017097 /nfs/dbraw/zinc/01/70/97/388017097.db2.gz PBCMOAATANSFMG-RQJHMYQMSA-N -1 3 240.263 0.303 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCC[C@H](O)C2)[n-]1 ZINC000439745907 388017105 /nfs/dbraw/zinc/01/71/05/388017105.db2.gz PBCMOAATANSFMG-RQJHMYQMSA-N -1 3 240.263 0.303 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCC[C@H](O)C2)n1 ZINC000439745907 388017109 /nfs/dbraw/zinc/01/71/09/388017109.db2.gz PBCMOAATANSFMG-RQJHMYQMSA-N -1 3 240.263 0.303 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCC[C@H](O)C2)n[n-]1 ZINC000439745900 388017423 /nfs/dbraw/zinc/01/74/23/388017423.db2.gz PBCMOAATANSFMG-BQBZGAKWSA-N -1 3 240.263 0.303 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCC[C@H](O)C2)[n-]1 ZINC000439745900 388017429 /nfs/dbraw/zinc/01/74/29/388017429.db2.gz PBCMOAATANSFMG-BQBZGAKWSA-N -1 3 240.263 0.303 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCC[C@H](O)C2)n1 ZINC000439745900 388017435 /nfs/dbraw/zinc/01/74/35/388017435.db2.gz PBCMOAATANSFMG-BQBZGAKWSA-N -1 3 240.263 0.303 20 0 BCADHM Cc1noc(C[N-]S(=O)(=O)CC(C)C)n1 ZINC000447874678 388098880 /nfs/dbraw/zinc/09/88/80/388098880.db2.gz XQRNWWWNDSZCLX-UHFFFAOYSA-N -1 3 233.293 0.453 20 0 BCADHM O=C(CCc1ccoc1)[N-]c1nnc2[nH]cnn12 ZINC000646267638 388173518 /nfs/dbraw/zinc/17/35/18/388173518.db2.gz DZKSKQORVISAHG-UHFFFAOYSA-N -1 3 246.230 0.617 20 0 BCADHM CC(C)(C)CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646269389 388173545 /nfs/dbraw/zinc/17/35/45/388173545.db2.gz ZQELAJHXMXNEHW-UHFFFAOYSA-N -1 3 222.252 0.827 20 0 BCADHM O=C(C[C@H]1C=CCC1)[N-]c1nnc2[nH]cnn12 ZINC000646266292 388173852 /nfs/dbraw/zinc/17/38/52/388173852.db2.gz MJVWDSNQFLYKQQ-ZETCQYMHSA-N -1 3 232.247 0.747 20 0 BCADHM COCC1(CNC(=O)c2c[n-]nn2)CCCC1 ZINC000456861908 388227746 /nfs/dbraw/zinc/22/77/46/388227746.db2.gz UVCDQIFVJWJSMF-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM COCC1(CNC(=O)c2cnn[n-]2)CCCC1 ZINC000456861908 388227749 /nfs/dbraw/zinc/22/77/49/388227749.db2.gz UVCDQIFVJWJSMF-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM COCC1(CNC(=O)c2cn[n-]n2)CCCC1 ZINC000456861908 388227751 /nfs/dbraw/zinc/22/77/51/388227751.db2.gz UVCDQIFVJWJSMF-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM CC[C@H](NC(=O)c1cccc([O-])c1)C(=O)NC ZINC000457004171 388236627 /nfs/dbraw/zinc/23/66/27/388236627.db2.gz YWYROTWRLLUUKU-JTQLQIEISA-N -1 3 236.271 0.647 20 0 BCADHM C[C@H](O)CN(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000451886811 388302848 /nfs/dbraw/zinc/30/28/48/388302848.db2.gz DWTQIXKHXWTVGL-QMMMGPOBSA-N -1 3 241.262 0.913 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)/C=C\C1CC1 ZINC000491930867 388328504 /nfs/dbraw/zinc/32/85/04/388328504.db2.gz YAHNHJKFWLYONR-UMCURTJPSA-N -1 3 235.287 0.581 20 0 BCADHM COc1cccc(/C=C/C(=O)[N-]OCCO)c1 ZINC000491991516 388330874 /nfs/dbraw/zinc/33/08/74/388330874.db2.gz OFOPHGKRXRFIFA-AATRIKPKSA-N -1 3 237.255 0.749 20 0 BCADHM COc1cccc(/C=C\C(=O)[N-]OCCO)c1 ZINC000491991517 388330900 /nfs/dbraw/zinc/33/09/00/388330900.db2.gz OFOPHGKRXRFIFA-WAYWQWQTSA-N -1 3 237.255 0.749 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000491991919 388330921 /nfs/dbraw/zinc/33/09/21/388330921.db2.gz PLALGNZUBSIKCH-IAKTZEFTSA-N -1 3 246.266 0.561 20 0 BCADHM COc1nnc(NC(=O)C=Cc2ccncc2)[n-]1 ZINC000492342744 388342215 /nfs/dbraw/zinc/34/22/15/388342215.db2.gz QZPJTGXWDTYHIU-IHWYPQMZSA-N -1 3 245.242 0.860 20 0 BCADHM COc1nc(NC(=O)C=Cc2ccncc2)n[n-]1 ZINC000492342744 388342216 /nfs/dbraw/zinc/34/22/16/388342216.db2.gz QZPJTGXWDTYHIU-IHWYPQMZSA-N -1 3 245.242 0.860 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2ccncc2)n1 ZINC000492342744 388342217 /nfs/dbraw/zinc/34/22/17/388342217.db2.gz QZPJTGXWDTYHIU-IHWYPQMZSA-N -1 3 245.242 0.860 20 0 BCADHM CC(=O)NCCNC(=O)/C=C/c1cncc([O-])c1 ZINC000492384641 388342963 /nfs/dbraw/zinc/34/29/63/388342963.db2.gz PBTUUVSEPSYULD-NSCUHMNNSA-N -1 3 249.270 0.053 20 0 BCADHM CCOCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000524397715 388358734 /nfs/dbraw/zinc/35/87/34/388358734.db2.gz VPSULUFGDLUHID-SECBINFHSA-N -1 3 241.291 0.041 20 0 BCADHM C[C@]1(O)CCN(c2ccncc2C(=O)[O-])C1 ZINC000235779515 388375321 /nfs/dbraw/zinc/37/53/21/388375321.db2.gz GNOZAOVJIFYGEO-NSHDSACASA-N -1 3 222.244 0.741 20 0 BCADHM C[C@@H]1CCCCCN1CC(=O)Nc1nnn[n-]1 ZINC000572819698 388379069 /nfs/dbraw/zinc/37/90/69/388379069.db2.gz WJMFXUXZPONRJY-MRVPVSSYSA-N -1 3 238.295 0.403 20 0 BCADHM C[C@@H]1CCCCCN1CC(=O)Nc1nn[n-]n1 ZINC000572819698 388379071 /nfs/dbraw/zinc/37/90/71/388379071.db2.gz WJMFXUXZPONRJY-MRVPVSSYSA-N -1 3 238.295 0.403 20 0 BCADHM O=C(c1cc([O-])ccc1Cl)N1CC(O)C1 ZINC000236477660 388379413 /nfs/dbraw/zinc/37/94/13/388379413.db2.gz KLGNVTCSSZJCQC-UHFFFAOYSA-N -1 3 227.647 0.862 20 0 BCADHM Cn1cncc1CCNC(=O)c1cncc([O-])c1 ZINC000166054052 388415585 /nfs/dbraw/zinc/41/55/85/388415585.db2.gz GKPWEFQSSBVFOL-UHFFFAOYSA-N -1 3 246.270 0.493 20 0 BCADHM Cc1cocc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000528554048 388545916 /nfs/dbraw/zinc/54/59/16/388545916.db2.gz SZUBLHHHSQCDBG-VIFPVBQESA-N -1 3 249.270 0.830 20 0 BCADHM O=C(NCCOCC1CCC1)c1c[n-]nn1 ZINC000517269655 388545960 /nfs/dbraw/zinc/54/59/60/388545960.db2.gz GEBAZFYSHAWSEW-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM O=C(NCCOCC1CCC1)c1cnn[n-]1 ZINC000517269655 388545961 /nfs/dbraw/zinc/54/59/61/388545961.db2.gz GEBAZFYSHAWSEW-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM O=C(NCCOCC1CCC1)c1cn[n-]n1 ZINC000517269655 388545964 /nfs/dbraw/zinc/54/59/64/388545964.db2.gz GEBAZFYSHAWSEW-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM CCn1cnnc1[N-]C(=O)C1(OC)CC1 ZINC000648896001 388484461 /nfs/dbraw/zinc/48/44/61/388484461.db2.gz LJEKWPVYSVQIIP-UHFFFAOYSA-N -1 3 210.237 0.416 20 0 BCADHM CC[C@@]1(O)CCN(c2nc3nncc-3c(O)[n-]2)C1 ZINC000548616406 388548582 /nfs/dbraw/zinc/54/85/82/388548582.db2.gz MEWNTDWHSATPCN-LLVKDONJSA-N -1 3 249.274 0.410 20 0 BCADHM O=C1NC[C@@H]2[C@H]1CCCN2Cc1ncccc1[O-] ZINC000516815242 388519375 /nfs/dbraw/zinc/51/93/75/388519375.db2.gz KUBCVMKXAHCLEN-MWLCHTKSSA-N -1 3 247.298 0.498 20 0 BCADHM O=C(NCc1cccc(F)c1)c1c[n-]nn1 ZINC000088342137 388528949 /nfs/dbraw/zinc/52/89/49/388528949.db2.gz YCOQRLPTFPSDHU-UHFFFAOYSA-N -1 3 220.207 0.874 20 0 BCADHM O=C(NCc1cccc(F)c1)c1cnn[n-]1 ZINC000088342137 388528951 /nfs/dbraw/zinc/52/89/51/388528951.db2.gz YCOQRLPTFPSDHU-UHFFFAOYSA-N -1 3 220.207 0.874 20 0 BCADHM O=C(NCc1cccc(F)c1)c1cn[n-]n1 ZINC000088342137 388528954 /nfs/dbraw/zinc/52/89/54/388528954.db2.gz YCOQRLPTFPSDHU-UHFFFAOYSA-N -1 3 220.207 0.874 20 0 BCADHM COc1nc(NC(=O)C[C@H]2CCOC2)n[n-]1 ZINC000352639257 388536790 /nfs/dbraw/zinc/53/67/90/388536790.db2.gz YNXJZVVBUKKQKR-ZCFIWIBFSA-N -1 3 226.236 0.178 20 0 BCADHM COc1nnc(NC(=O)C[C@H]2CCOC2)[n-]1 ZINC000352639257 388536794 /nfs/dbraw/zinc/53/67/94/388536794.db2.gz YNXJZVVBUKKQKR-ZCFIWIBFSA-N -1 3 226.236 0.178 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@H]2CCOC2)n1 ZINC000352639257 388536797 /nfs/dbraw/zinc/53/67/97/388536797.db2.gz YNXJZVVBUKKQKR-ZCFIWIBFSA-N -1 3 226.236 0.178 20 0 BCADHM COc1ccc(CCNC(=O)c2c[n-]nn2)cn1 ZINC000529884940 388597097 /nfs/dbraw/zinc/59/70/97/388597097.db2.gz CFHXEAIVEDQSQN-UHFFFAOYSA-N -1 3 247.258 0.181 20 0 BCADHM COc1ccc(CCNC(=O)c2cnn[n-]2)cn1 ZINC000529884940 388597098 /nfs/dbraw/zinc/59/70/98/388597098.db2.gz CFHXEAIVEDQSQN-UHFFFAOYSA-N -1 3 247.258 0.181 20 0 BCADHM COc1ccc(CCNC(=O)c2cn[n-]n2)cn1 ZINC000529884940 388597101 /nfs/dbraw/zinc/59/71/01/388597101.db2.gz CFHXEAIVEDQSQN-UHFFFAOYSA-N -1 3 247.258 0.181 20 0 BCADHM O=C(Nc1ncccc1[O-])c1cn[nH]c1 ZINC000082267162 388611286 /nfs/dbraw/zinc/61/12/86/388611286.db2.gz OQZZXPBCHRRTFQ-UHFFFAOYSA-N -1 3 204.189 0.763 20 0 BCADHM CC(C)CO[C@H](C)C(=O)[N-]c1nncn1C ZINC000548647209 388551702 /nfs/dbraw/zinc/55/17/02/388551702.db2.gz GUXFUTOTIXQRLZ-MRVPVSSYSA-N -1 3 226.280 0.815 20 0 BCADHM CCOCCN1CCSC[C@@H]1CC(=O)[O-] ZINC000085611317 388671554 /nfs/dbraw/zinc/67/15/54/388671554.db2.gz MBQBJGJDOVVLCV-VIFPVBQESA-N -1 3 233.333 0.915 20 0 BCADHM O=C([O-])c1cnccc1N1C[C@@H](O)C2(CC2)C1 ZINC000522005225 388674117 /nfs/dbraw/zinc/67/41/17/388674117.db2.gz WPYIXBLOCQQQKM-SNVBAGLBSA-N -1 3 234.255 0.741 20 0 BCADHM C[C@@H]1CN(CC2CCC2)C[C@@H](C(=O)[O-])O1 ZINC000530170023 388619406 /nfs/dbraw/zinc/61/94/06/388619406.db2.gz NWDDPGVQPCSLFE-SCZZXKLOSA-N -1 3 213.277 0.960 20 0 BCADHM CCc1ccc(C(=O)NC2=NCC(=O)N2)c([O-])c1 ZINC000530351401 388652070 /nfs/dbraw/zinc/65/20/70/388652070.db2.gz HUZBTNPFNPNQGQ-UHFFFAOYSA-N -1 3 247.254 0.170 20 0 BCADHM Cc1nsc(Sc2nnc(CO)[n-]2)n1 ZINC000530425480 388654629 /nfs/dbraw/zinc/65/46/29/388654629.db2.gz PRYGUHSFUMADSD-UHFFFAOYSA-N -1 3 229.290 0.608 20 0 BCADHM Cc1nsc(Sc2nc(CO)n[n-]2)n1 ZINC000530425480 388654630 /nfs/dbraw/zinc/65/46/30/388654630.db2.gz PRYGUHSFUMADSD-UHFFFAOYSA-N -1 3 229.290 0.608 20 0 BCADHM Cc1nsc(Sc2n[n-]c(CO)n2)n1 ZINC000530425480 388654632 /nfs/dbraw/zinc/65/46/32/388654632.db2.gz PRYGUHSFUMADSD-UHFFFAOYSA-N -1 3 229.290 0.608 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(C)(C)C ZINC000522253849 388735686 /nfs/dbraw/zinc/73/56/86/388735686.db2.gz YBXJXQXJUJYFGD-MRVPVSSYSA-N -1 3 225.292 0.661 20 0 BCADHM C[C@H](CC(N)=O)NC(=O)c1ccccc1[O-] ZINC000128244538 388741281 /nfs/dbraw/zinc/74/12/81/388741281.db2.gz SGJBGOGJLZZPCP-SSDOTTSWSA-N -1 3 222.244 0.386 20 0 BCADHM C[C@H](O)CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000193174065 388695467 /nfs/dbraw/zinc/69/54/67/388695467.db2.gz VCEIAIJBBXWQSQ-LURJTMIESA-N -1 3 247.320 0.257 20 0 BCADHM C[C@H](O)CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000193174065 388695470 /nfs/dbraw/zinc/69/54/70/388695470.db2.gz VCEIAIJBBXWQSQ-LURJTMIESA-N -1 3 247.320 0.257 20 0 BCADHM COc1nnc(NC(=O)c2cccn2C)[n-]1 ZINC000126838056 388705540 /nfs/dbraw/zinc/70/55/40/388705540.db2.gz AVDFCIHSVAPHGM-UHFFFAOYSA-N -1 3 221.220 0.404 20 0 BCADHM COc1nc(NC(=O)c2cccn2C)n[n-]1 ZINC000126838056 388705542 /nfs/dbraw/zinc/70/55/42/388705542.db2.gz AVDFCIHSVAPHGM-UHFFFAOYSA-N -1 3 221.220 0.404 20 0 BCADHM COc1n[n-]c(NC(=O)c2cccn2C)n1 ZINC000126838056 388705544 /nfs/dbraw/zinc/70/55/44/388705544.db2.gz AVDFCIHSVAPHGM-UHFFFAOYSA-N -1 3 221.220 0.404 20 0 BCADHM C[C@@H](CNC(=O)c1c[n-]nn1)Cn1cccn1 ZINC000193627995 388711270 /nfs/dbraw/zinc/71/12/70/388711270.db2.gz GMJBALMRLKVAOF-QMMMGPOBSA-N -1 3 234.263 0.067 20 0 BCADHM C[C@@H](CNC(=O)c1cnn[n-]1)Cn1cccn1 ZINC000193627995 388711272 /nfs/dbraw/zinc/71/12/72/388711272.db2.gz GMJBALMRLKVAOF-QMMMGPOBSA-N -1 3 234.263 0.067 20 0 BCADHM C[C@@H](CNC(=O)c1cn[n-]n1)Cn1cccn1 ZINC000193627995 388711273 /nfs/dbraw/zinc/71/12/73/388711273.db2.gz GMJBALMRLKVAOF-QMMMGPOBSA-N -1 3 234.263 0.067 20 0 BCADHM O=C(NCCc1ccccc1O)c1c[n-]nn1 ZINC000193652188 388712537 /nfs/dbraw/zinc/71/25/37/388712537.db2.gz AYPLARDOKAMBEN-UHFFFAOYSA-N -1 3 232.243 0.483 20 0 BCADHM O=C(NCCc1ccccc1O)c1cnn[n-]1 ZINC000193652188 388712540 /nfs/dbraw/zinc/71/25/40/388712540.db2.gz AYPLARDOKAMBEN-UHFFFAOYSA-N -1 3 232.243 0.483 20 0 BCADHM O=C(NCCc1ccccc1O)c1cn[n-]n1 ZINC000193652188 388712542 /nfs/dbraw/zinc/71/25/42/388712542.db2.gz AYPLARDOKAMBEN-UHFFFAOYSA-N -1 3 232.243 0.483 20 0 BCADHM CC(C)CCC(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225911511 388730264 /nfs/dbraw/zinc/73/02/64/388730264.db2.gz UBIVINOKXCHJOZ-UHFFFAOYSA-N -1 3 244.335 0.897 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)c1cn[nH]c1 ZINC000229961919 388806300 /nfs/dbraw/zinc/80/63/00/388806300.db2.gz LEYOWINRLHHYHJ-YFKPBYRVSA-N -1 3 206.209 0.019 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)c1cn[nH]c1 ZINC000229961919 388806302 /nfs/dbraw/zinc/80/63/02/388806302.db2.gz LEYOWINRLHHYHJ-YFKPBYRVSA-N -1 3 206.209 0.019 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1cn[nH]c1 ZINC000229961919 388806305 /nfs/dbraw/zinc/80/63/05/388806305.db2.gz LEYOWINRLHHYHJ-YFKPBYRVSA-N -1 3 206.209 0.019 20 0 BCADHM CCC[C@H](O)CN1C[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000564218927 388762118 /nfs/dbraw/zinc/76/21/18/388762118.db2.gz NIMWNUFFKFHQPJ-GUBZILKMSA-N -1 3 231.292 0.321 20 0 BCADHM Cc1ccn2ncc(C(=O)[N-]c3nc[nH]n3)c2n1 ZINC000069376162 388835137 /nfs/dbraw/zinc/83/51/37/388835137.db2.gz QIOVOQZPZBZQPR-UHFFFAOYSA-N -1 3 243.230 0.408 20 0 BCADHM CCOCC(=O)Nc1[n-]cnc1C(=O)OC ZINC000555514958 388851967 /nfs/dbraw/zinc/85/19/67/388851967.db2.gz IJTNXBVRVKFWMW-UHFFFAOYSA-N -1 3 227.220 0.171 20 0 BCADHM CCOCC(=O)Nc1nc[n-]c1C(=O)OC ZINC000555514958 388851971 /nfs/dbraw/zinc/85/19/71/388851971.db2.gz IJTNXBVRVKFWMW-UHFFFAOYSA-N -1 3 227.220 0.171 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CC=CCC1 ZINC000523688360 388852535 /nfs/dbraw/zinc/85/25/35/388852535.db2.gz SMJZJIMPCPHJTB-GHMZBOCLSA-N -1 3 249.314 0.971 20 0 BCADHM CCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000523688490 388853323 /nfs/dbraw/zinc/85/33/23/388853323.db2.gz BXDXZXDOLAORFR-QMMMGPOBSA-N -1 3 211.265 0.415 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CC[C@H](O)C1 ZINC000541891555 388873812 /nfs/dbraw/zinc/87/38/12/388873812.db2.gz KTJNIQRBNXCSAD-ZETCQYMHSA-N -1 3 232.243 0.165 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CC[C@H](O)C1 ZINC000541891555 388873814 /nfs/dbraw/zinc/87/38/14/388873814.db2.gz KTJNIQRBNXCSAD-ZETCQYMHSA-N -1 3 232.243 0.165 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CC[C@H](O)C1 ZINC000541891555 388873816 /nfs/dbraw/zinc/87/38/16/388873816.db2.gz KTJNIQRBNXCSAD-ZETCQYMHSA-N -1 3 232.243 0.165 20 0 BCADHM CC=CC=CC(=O)Nc1nnc(OC)[n-]1 ZINC000129499218 388848789 /nfs/dbraw/zinc/84/87/89/388848789.db2.gz ITMLHCHUYIXRJC-VNKDHWASSA-N -1 3 208.221 0.884 20 0 BCADHM CC=CC=CC(=O)Nc1n[n-]c(OC)n1 ZINC000129499218 388848793 /nfs/dbraw/zinc/84/87/93/388848793.db2.gz ITMLHCHUYIXRJC-VNKDHWASSA-N -1 3 208.221 0.884 20 0 BCADHM CC=CC=CC(=O)Nc1nc(OC)n[n-]1 ZINC000129499218 388848795 /nfs/dbraw/zinc/84/87/95/388848795.db2.gz ITMLHCHUYIXRJC-VNKDHWASSA-N -1 3 208.221 0.884 20 0 BCADHM Cc1ncc(CNCc2ccc(CO)o2)c(=O)[n-]1 ZINC000541378001 388850363 /nfs/dbraw/zinc/85/03/63/388850363.db2.gz INTRFKLDENYTJG-UHFFFAOYSA-N -1 3 249.270 0.866 20 0 BCADHM C[C@@H]1C(=O)N(C)CN1C(=O)c1cccc([O-])c1 ZINC000649162391 388883212 /nfs/dbraw/zinc/88/32/12/388883212.db2.gz PRHPJWZBKFOCSC-MRVPVSSYSA-N -1 3 234.255 0.652 20 0 BCADHM CO[C@H](C)CNC(=O)Cc1cncc([O-])c1 ZINC000565211625 388925812 /nfs/dbraw/zinc/92/58/12/388925812.db2.gz CRAPYQHHHNNKBV-MRVPVSSYSA-N -1 3 224.260 0.481 20 0 BCADHM Cc1cc(C(=O)N[C@H]2CC(=O)N(C)C2)ccc1[O-] ZINC000272371806 389031580 /nfs/dbraw/zinc/03/15/80/389031580.db2.gz DMRSWFXWRFSCJY-JTQLQIEISA-N -1 3 248.282 0.661 20 0 BCADHM Cc1csc(S(=O)(=O)[N-][C@@H](C)CO)c1 ZINC000335572360 136109632 /nfs/dbraw/zinc/10/96/32/136109632.db2.gz GLVSZNYNWJRTSM-ZETCQYMHSA-N -1 3 235.330 0.716 20 0 BCADHM C[C@@H]1CN(Cc2nc(=O)[n-][nH]2)c2ccccc2O1 ZINC000271578970 132199535 /nfs/dbraw/zinc/19/95/35/132199535.db2.gz BNRLJFBKCFKCHP-MRVPVSSYSA-N -1 3 246.270 0.886 20 0 BCADHM CO[C@@H](C)[C@H](C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000347386415 133828859 /nfs/dbraw/zinc/82/88/59/133828859.db2.gz YHMWCEFDDJXLBW-YUMQZZPRSA-N -1 3 239.275 0.644 20 0 BCADHM CCOCCN1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000332404061 134004925 /nfs/dbraw/zinc/00/49/25/134004925.db2.gz LESLODJYWIPJEV-SECBINFHSA-N -1 3 239.323 0.401 20 0 BCADHM Cc1cc(=O)[n-]c(C=Cc2cn(C)nn2)n1 ZINC000352039160 134045690 /nfs/dbraw/zinc/04/56/90/134045690.db2.gz CSGWZQPQYFKYTO-ARJAWSKDSA-N -1 3 217.232 0.790 20 0 BCADHM Cn1[n-]c(CN2CCCC3(CC3)C2)nc1=O ZINC000336065245 134069980 /nfs/dbraw/zinc/06/99/80/134069980.db2.gz NOTDJRVUUDTDBQ-UHFFFAOYSA-N -1 3 222.292 0.484 20 0 BCADHM Cn1cc(S(=O)(=O)[N-]C(C)(C)CF)cn1 ZINC000336068252 134071064 /nfs/dbraw/zinc/07/10/64/134071064.db2.gz KNOGGWFPHWGHNA-UHFFFAOYSA-N -1 3 235.284 0.447 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)N(C)C ZINC000336216504 134137295 /nfs/dbraw/zinc/13/72/95/134137295.db2.gz MDHBNPZQHZGAEP-SSDOTTSWSA-N -1 3 246.288 0.035 20 0 BCADHM CN(C)C(=O)CC(=O)Nc1ncccc1[O-] ZINC000176973906 134295350 /nfs/dbraw/zinc/29/53/50/134295350.db2.gz DBVDFUQETQEXQA-UHFFFAOYSA-N -1 3 223.232 0.204 20 0 BCADHM CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000044427644 322842094 /nfs/dbraw/zinc/84/20/94/322842094.db2.gz URBIFCXANZRETA-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000227768330 134393053 /nfs/dbraw/zinc/39/30/53/134393053.db2.gz ZIXDHLXHRPTLMR-ZETCQYMHSA-N -1 3 229.305 0.734 20 0 BCADHM Cc1noc([C@H](C)[N-]S(=O)(=O)C2CC2)n1 ZINC000408234651 134527148 /nfs/dbraw/zinc/52/71/48/134527148.db2.gz GWEFJHJAAVPCSC-YFKPBYRVSA-N -1 3 231.277 0.521 20 0 BCADHM C[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000261587941 135228532 /nfs/dbraw/zinc/22/85/32/135228532.db2.gz RZKYSMUZHJKDOT-CIUDSAMLSA-N -1 3 228.292 0.449 20 0 BCADHM COCCN1CCN([C@@H](C)C(=O)[O-])C[C@@H]1C ZINC000261587616 135228684 /nfs/dbraw/zinc/22/86/84/135228684.db2.gz RVMRYZLAXQILJK-UWVGGRQHSA-N -1 3 230.308 0.112 20 0 BCADHM CCN(CC(=O)NCC(=O)[O-])[C@H](C)C(C)C ZINC000262172879 135283653 /nfs/dbraw/zinc/28/36/53/135283653.db2.gz DOMXDKNNJPUCPW-SECBINFHSA-N -1 3 230.308 0.554 20 0 BCADHM C[C@@H]1CC[C@@H](C)N(CC(=O)NCC(=O)[O-])C1 ZINC000262216253 135285425 /nfs/dbraw/zinc/28/54/25/135285425.db2.gz KRFFIPMEFNDTRU-RKDXNWHRSA-N -1 3 228.292 0.308 20 0 BCADHM CC[C@H]1CCCN(CC(=O)NCC(=O)[O-])C1 ZINC000262203460 135289837 /nfs/dbraw/zinc/28/98/37/135289837.db2.gz ISOUFYVKUKWIKU-VIFPVBQESA-N -1 3 228.292 0.309 20 0 BCADHM CCCN(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262624703 135309235 /nfs/dbraw/zinc/30/92/35/135309235.db2.gz DESRAGNVKQKSBD-JTQLQIEISA-N -1 3 242.319 0.651 20 0 BCADHM CCN(CC)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262642536 135310211 /nfs/dbraw/zinc/31/02/11/135310211.db2.gz HQPKHRRTHGNVHG-SNVBAGLBSA-N -1 3 242.319 0.651 20 0 BCADHM CC(C)(O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000334273147 135331867 /nfs/dbraw/zinc/33/18/67/135331867.db2.gz YMEOBXXFAPCDEB-UHFFFAOYSA-N -1 3 218.640 0.373 20 0 BCADHM O=S(=O)([N-]C1(C(F)F)CC1)NC1CC1 ZINC000334277788 135333814 /nfs/dbraw/zinc/33/38/14/135333814.db2.gz DOCMAMVJQGDDDJ-UHFFFAOYSA-N -1 3 226.248 0.371 20 0 BCADHM CC(=O)N[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000334444117 135409276 /nfs/dbraw/zinc/40/92/76/135409276.db2.gz DRKANZUIUPOWGT-ZCFIWIBFSA-N -1 3 240.234 0.994 20 0 BCADHM O=S(=O)([N-][C@H]1CC=CCC1)c1c[nH]cn1 ZINC000080706498 135424083 /nfs/dbraw/zinc/42/40/83/135424083.db2.gz VFXQBROVNDGPQM-QMMMGPOBSA-N -1 3 227.289 0.797 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1CC(O)(C2CC2)C1 ZINC000334781578 135811130 /nfs/dbraw/zinc/81/11/30/135811130.db2.gz DPWXAAHUFRTLLO-UHFFFAOYSA-N -1 3 240.284 0.446 20 0 BCADHM FC(F)[C@@H]1C[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000348220594 136047313 /nfs/dbraw/zinc/04/73/13/136047313.db2.gz ITFNSUWLONBZMA-INEUFUBQSA-N -1 3 225.202 0.792 20 0 BCADHM CC[C@H]1C[C@@H](C)CN1Cc1nc(=O)n(C)[n-]1 ZINC000335329324 136052883 /nfs/dbraw/zinc/05/28/83/136052883.db2.gz MYVPMNPIPSNEEW-BDAKNGLRSA-N -1 3 224.308 0.729 20 0 BCADHM CN(CC(=O)NC1CC1)C(=O)c1ccccc1[O-] ZINC000050683022 322851723 /nfs/dbraw/zinc/85/17/23/322851723.db2.gz DGPYUEMCDFJCEW-UHFFFAOYSA-N -1 3 248.282 0.743 20 0 BCADHM Cn1[n-]c(CNC2(C3CC3)CC2)nc1=O ZINC000380191211 397778191 /nfs/dbraw/zinc/77/81/91/397778191.db2.gz OVKULADCAICICS-UHFFFAOYSA-N -1 3 208.265 0.141 20 0 BCADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ncon1 ZINC000182957145 397828982 /nfs/dbraw/zinc/82/89/82/397828982.db2.gz SWRZXRVIHASZEE-LURJTMIESA-N -1 3 249.226 0.972 20 0 BCADHM Cn1cc(C(=O)N2C3CCC2CC3)c(=O)[n-]c1=O ZINC000643138132 397873518 /nfs/dbraw/zinc/87/35/18/397873518.db2.gz PRFOEICOEPZPTN-UHFFFAOYSA-N -1 3 249.270 0.253 20 0 BCADHM CCS(=O)(=O)[N-]c1cncc(C(=O)OC)c1 ZINC000186453062 397877923 /nfs/dbraw/zinc/87/79/23/397877923.db2.gz PFGJPAYNPDDWPH-UHFFFAOYSA-N -1 3 244.272 0.630 20 0 BCADHM Nc1nc(=NC[C@@H]2C[C@H]2C2CC2)nc2[nH][n-]cc1-2 ZINC000649548555 397938713 /nfs/dbraw/zinc/93/87/13/397938713.db2.gz XCJAINHAGAXJHV-YUMQZZPRSA-N -1 3 244.302 0.597 20 0 BCADHM Cc1noc([C@@H](C)NC(=O)c2cc(=O)[n-]cn2)n1 ZINC000624919168 397951433 /nfs/dbraw/zinc/95/14/33/397951433.db2.gz PQTOWTHFHJDXFS-RXMQYKEDSA-N -1 3 249.230 0.365 20 0 BCADHM O=S(=O)([N-]C[C@H]1CCCO1)c1cscn1 ZINC000564906513 398049383 /nfs/dbraw/zinc/04/93/83/398049383.db2.gz XSXNSMAXJHYEEZ-SSDOTTSWSA-N -1 3 248.329 0.600 20 0 BCADHM COCC[C@H](CO)NC(=O)c1ccccc1[O-] ZINC000281663013 398060815 /nfs/dbraw/zinc/06/08/15/398060815.db2.gz OMMDXLBYALOBQE-SECBINFHSA-N -1 3 239.271 0.519 20 0 BCADHM CC(C)[C@H](O)C(=O)Nc1ncccc1[O-] ZINC000291581449 398096341 /nfs/dbraw/zinc/09/63/41/398096341.db2.gz CHKWTJFJTFCBFS-QMMMGPOBSA-N -1 3 210.233 0.743 20 0 BCADHM CC[C@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000075940512 171345061 /nfs/dbraw/zinc/34/50/61/171345061.db2.gz XTLTUXOVHHMPFW-ZETCQYMHSA-N -1 3 217.294 0.497 20 0 BCADHM CC[C@H](C[N-]S(=O)(=O)c1ccn(C)n1)OC ZINC000645719001 398133795 /nfs/dbraw/zinc/13/37/95/398133795.db2.gz MEYNWLYISAZAIA-MRVPVSSYSA-N -1 3 247.320 0.123 20 0 BCADHM O=S1(=O)CC[C@@H](c2nc(CC3CC3)no2)[N-]1 ZINC000650216539 409732497 /nfs/dbraw/zinc/73/24/97/409732497.db2.gz CEARKCXVHOTZIF-ZETCQYMHSA-N -1 3 243.288 0.386 20 0 BCADHM CC[C@H](NC(=O)c1c[n-]nn1)[C@H]1CCCCO1 ZINC000655344832 409920192 /nfs/dbraw/zinc/92/01/92/409920192.db2.gz NVVXJCBAMWZAOT-WCBMZHEXSA-N -1 3 238.291 0.882 20 0 BCADHM CC[C@H](NC(=O)c1cnn[n-]1)[C@H]1CCCCO1 ZINC000655344832 409920201 /nfs/dbraw/zinc/92/02/01/409920201.db2.gz NVVXJCBAMWZAOT-WCBMZHEXSA-N -1 3 238.291 0.882 20 0 BCADHM CC[C@H](NC(=O)c1cn[n-]n1)[C@H]1CCCCO1 ZINC000655344832 409920206 /nfs/dbraw/zinc/92/02/06/409920206.db2.gz NVVXJCBAMWZAOT-WCBMZHEXSA-N -1 3 238.291 0.882 20 0 BCADHM CN1CCC[C@@H](NC(=O)Cc2cncc([O-])c2)C1 ZINC000655391396 410195113 /nfs/dbraw/zinc/19/51/13/410195113.db2.gz LYMFKSCGCAAEOC-LLVKDONJSA-N -1 3 249.314 0.540 20 0 BCADHM C[C@@H]1[C@H](O)CCN1C(=O)Cc1cncc([O-])c1 ZINC000655404685 410207934 /nfs/dbraw/zinc/20/79/34/410207934.db2.gz LLFSHUKCBNZEET-LDYMZIIASA-N -1 3 236.271 0.311 20 0 BCADHM CC(C)(C)CC[C@@H](CO)NC(=O)c1c[n-]nn1 ZINC000358414602 166574978 /nfs/dbraw/zinc/57/49/78/166574978.db2.gz PSZBOINMZBCTBO-QMMMGPOBSA-N -1 3 240.307 0.722 20 0 BCADHM CC(C)(C)CC[C@@H](CO)NC(=O)c1cnn[n-]1 ZINC000358414602 166574980 /nfs/dbraw/zinc/57/49/80/166574980.db2.gz PSZBOINMZBCTBO-QMMMGPOBSA-N -1 3 240.307 0.722 20 0 BCADHM CC(C)(C)CC[C@@H](CO)NC(=O)c1cn[n-]n1 ZINC000358414602 166574983 /nfs/dbraw/zinc/57/49/83/166574983.db2.gz PSZBOINMZBCTBO-QMMMGPOBSA-N -1 3 240.307 0.722 20 0 BCADHM CC(C)OC(=O)[C@H](C)CNC(=O)c1c[n-]nn1 ZINC000172999625 167169952 /nfs/dbraw/zinc/16/99/52/167169952.db2.gz MTALYHLGLJGXCC-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM CC(C)OC(=O)[C@H](C)CNC(=O)c1cnn[n-]1 ZINC000172999625 167169953 /nfs/dbraw/zinc/16/99/53/167169953.db2.gz MTALYHLGLJGXCC-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM CC(C)OC(=O)[C@H](C)CNC(=O)c1cn[n-]n1 ZINC000172999625 167169956 /nfs/dbraw/zinc/16/99/56/167169956.db2.gz MTALYHLGLJGXCC-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM CC(C)OCCCS(=O)(=O)c1ncn[n-]1 ZINC000191045369 167226140 /nfs/dbraw/zinc/22/61/40/167226140.db2.gz PNKCYDVCAYLQMP-UHFFFAOYSA-N -1 3 233.293 0.394 20 0 BCADHM CC(C)OCCCS(=O)(=O)c1nnc[n-]1 ZINC000191045369 167226142 /nfs/dbraw/zinc/22/61/42/167226142.db2.gz PNKCYDVCAYLQMP-UHFFFAOYSA-N -1 3 233.293 0.394 20 0 BCADHM CC(C)[C@@H](C)N(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000264851356 167364744 /nfs/dbraw/zinc/36/47/44/167364744.db2.gz NESFKKQFPWHUNV-MRVPVSSYSA-N -1 3 241.291 0.041 20 0 BCADHM CCCN(CCN(C)C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000045695038 411148467 /nfs/dbraw/zinc/14/84/67/411148467.db2.gz DCZMCCICBJKCEA-NXEZZACHSA-N -1 3 242.319 0.507 20 0 BCADHM COC[C@H](CNc1ccncc1C(=O)[O-])OC ZINC000300566258 411124099 /nfs/dbraw/zinc/12/40/99/411124099.db2.gz GXAIJSYCIXILEN-QMMMGPOBSA-N -1 3 240.259 0.853 20 0 BCADHM O=C([O-])c1cnccc1N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000123808191 411168548 /nfs/dbraw/zinc/16/85/48/411168548.db2.gz WGNXIDFTOYOKNN-XRNSZHNASA-N -1 3 248.282 0.987 20 0 BCADHM CSCCn1cc(Cl)c(=O)[n-]c1=O ZINC000091000764 411178577 /nfs/dbraw/zinc/17/85/77/411178577.db2.gz PDSOJBJOOPKFHE-UHFFFAOYSA-N -1 3 220.681 0.553 20 0 BCADHM COCCc1nc(=NC[C@H](C)N(C)C)s[n-]1 ZINC000336775257 411182750 /nfs/dbraw/zinc/18/27/50/411182750.db2.gz YMGDXOYATSRYHE-QMMMGPOBSA-N -1 3 244.364 0.511 20 0 BCADHM Cc1ccc(CNC2(C(=O)[O-])CCC2)nn1 ZINC000417562364 411183107 /nfs/dbraw/zinc/18/31/07/411183107.db2.gz FSKKGNRPTFRBFB-UHFFFAOYSA-N -1 3 221.260 0.882 20 0 BCADHM O=S(=O)([N-]CC1=CCCC1)c1c[nH]cn1 ZINC000660038027 411185071 /nfs/dbraw/zinc/18/50/71/411185071.db2.gz LVAAUKOSMTYIES-UHFFFAOYSA-N -1 3 227.289 0.798 20 0 BCADHM Cc1nnc([N-]Cc2nnn(C(C)(C)C)n2)o1 ZINC000656212923 411211447 /nfs/dbraw/zinc/21/14/47/411211447.db2.gz PZPNLGNJGURXGH-UHFFFAOYSA-N -1 3 237.267 0.732 20 0 BCADHM O=C(NCc1ccsc1)c1c[n-]nn1 ZINC000048892343 411219877 /nfs/dbraw/zinc/21/98/77/411219877.db2.gz PRILZWDXSSLAHZ-UHFFFAOYSA-N -1 3 208.246 0.796 20 0 BCADHM O=C(NCc1ccsc1)c1cnn[n-]1 ZINC000048892343 411219879 /nfs/dbraw/zinc/21/98/79/411219879.db2.gz PRILZWDXSSLAHZ-UHFFFAOYSA-N -1 3 208.246 0.796 20 0 BCADHM O=C(NCc1ccsc1)c1cn[n-]n1 ZINC000048892343 411219882 /nfs/dbraw/zinc/21/98/82/411219882.db2.gz PRILZWDXSSLAHZ-UHFFFAOYSA-N -1 3 208.246 0.796 20 0 BCADHM Cn1nc2c(c1NC(=O)c1cnn[n-]1)CCC2 ZINC000049425547 411233899 /nfs/dbraw/zinc/23/38/99/411233899.db2.gz RFOISKZNWOLYSE-UHFFFAOYSA-N -1 3 232.247 0.279 20 0 BCADHM Cn1nc2c(c1NC(=O)c1c[n-]nn1)CCC2 ZINC000049425547 411233902 /nfs/dbraw/zinc/23/39/02/411233902.db2.gz RFOISKZNWOLYSE-UHFFFAOYSA-N -1 3 232.247 0.279 20 0 BCADHM Cn1nc2c(c1NC(=O)c1cn[n-]n1)CCC2 ZINC000049425547 411233905 /nfs/dbraw/zinc/23/39/05/411233905.db2.gz RFOISKZNWOLYSE-UHFFFAOYSA-N -1 3 232.247 0.279 20 0 BCADHM COCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000049424496 411234383 /nfs/dbraw/zinc/23/43/83/411234383.db2.gz OGOSKXDALZWVRF-UHFFFAOYSA-N -1 3 233.231 0.452 20 0 BCADHM COCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000049424496 411234388 /nfs/dbraw/zinc/23/43/88/411234388.db2.gz OGOSKXDALZWVRF-UHFFFAOYSA-N -1 3 233.231 0.452 20 0 BCADHM COCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000049424496 411234393 /nfs/dbraw/zinc/23/43/93/411234393.db2.gz OGOSKXDALZWVRF-UHFFFAOYSA-N -1 3 233.231 0.452 20 0 BCADHM COC(=O)c1cncc(C(=O)[N-]c2nc[nH]n2)c1 ZINC000551978273 411281544 /nfs/dbraw/zinc/28/15/44/411281544.db2.gz SRKSLNKIIALPSU-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM O=C(N[C@@H](CO)CCF)c1ccc(O)cc1[O-] ZINC000652913123 411328573 /nfs/dbraw/zinc/32/85/73/411328573.db2.gz VLMMDMIALBUDHO-SSDOTTSWSA-N -1 3 243.234 0.548 20 0 BCADHM CC(C)CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652507733 411258974 /nfs/dbraw/zinc/25/89/74/411258974.db2.gz LYTKDMFKBMQOQT-RKDXNWHRSA-N -1 3 201.266 0.816 20 0 BCADHM O=C(NCCC1(CO)CCC1)c1c[n-]nn1 ZINC000652936112 411349959 /nfs/dbraw/zinc/34/99/59/411349959.db2.gz GXPBHYRLKLXNAR-UHFFFAOYSA-N -1 3 224.264 0.087 20 0 BCADHM O=C(NCCC1(CO)CCC1)c1cnn[n-]1 ZINC000652936112 411349963 /nfs/dbraw/zinc/34/99/63/411349963.db2.gz GXPBHYRLKLXNAR-UHFFFAOYSA-N -1 3 224.264 0.087 20 0 BCADHM O=C(NCCC1(CO)CCC1)c1cn[n-]n1 ZINC000652936112 411349964 /nfs/dbraw/zinc/34/99/64/411349964.db2.gz GXPBHYRLKLXNAR-UHFFFAOYSA-N -1 3 224.264 0.087 20 0 BCADHM CC[C@@H]1CN(C[C@](C)(O)C(=O)[O-])[C@@H](CC)CO1 ZINC000403904202 411365647 /nfs/dbraw/zinc/36/56/47/411365647.db2.gz WHXIXQHPQRZNFL-UMNHJUIQSA-N -1 3 245.319 0.711 20 0 BCADHM C[C@@H]1[C@H](O)CCN1C(=O)c1ccccc1[O-] ZINC000654164664 411345189 /nfs/dbraw/zinc/34/51/89/411345189.db2.gz QGRMEFONDAQXBI-PSASIEDQSA-N -1 3 221.256 0.988 20 0 BCADHM Cn1cc(CN2CC3CC2(C(=O)[O-])C3)cn1 ZINC000656761887 411346205 /nfs/dbraw/zinc/34/62/05/411346205.db2.gz YTQMSWKHUHXUNO-UHFFFAOYSA-N -1 3 221.260 0.469 20 0 BCADHM Cn1nccc1CN1CC2CC1(C(=O)[O-])C2 ZINC000656761677 411346222 /nfs/dbraw/zinc/34/62/22/411346222.db2.gz XCWUOUPLXWRGAB-UHFFFAOYSA-N -1 3 221.260 0.469 20 0 BCADHM CC(C)(C(=O)[O-])C(=O)N1CCNC(C)(C)C1 ZINC000656853317 411380759 /nfs/dbraw/zinc/38/07/59/411380759.db2.gz YEXBHPDTFBKXTJ-UHFFFAOYSA-N -1 3 228.292 0.308 20 0 BCADHM CC(C)[C@H]1CN(C(=O)[C@@H](C)C(=O)[O-])CCN1 ZINC000656853053 411380876 /nfs/dbraw/zinc/38/08/76/411380876.db2.gz PLFODLDFDCEKAJ-RKDXNWHRSA-N -1 3 228.292 0.164 20 0 BCADHM CC1CC(NC(=O)c2cn(C)c(=O)[n-]c2=O)C1 ZINC000267795704 168145772 /nfs/dbraw/zinc/14/57/72/168145772.db2.gz OZLBUHAPBBEBRZ-UHFFFAOYSA-N -1 3 237.259 0.014 20 0 BCADHM CC1CCC(=CC(=O)[N-]OCC(N)=O)CC1 ZINC000181530705 168148861 /nfs/dbraw/zinc/14/88/61/168148861.db2.gz PFSNKANLGGMRMG-UHFFFAOYSA-N -1 3 226.276 0.656 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)C(N)C(F)(F)F ZINC000656855928 411385686 /nfs/dbraw/zinc/38/56/86/411385686.db2.gz VFMLUXXZUSUVAQ-UHNVWZDZSA-N -1 3 242.197 0.198 20 0 BCADHM O=S(=O)([N-]C1(CO)CC1)c1ccco1 ZINC000659937626 411387058 /nfs/dbraw/zinc/38/70/58/411387058.db2.gz ZTBYTZBXPVABKM-UHFFFAOYSA-N -1 3 217.246 0.083 20 0 BCADHM CC[C@@H](O)C[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000657016876 411392673 /nfs/dbraw/zinc/39/26/73/411392673.db2.gz IPJLHVVEQFXDSQ-MRVPVSSYSA-N -1 3 248.304 0.173 20 0 BCADHM O=C(N[C@@H]1CNc2ccccc2C1)c1c[n-]nn1 ZINC000404434973 411396546 /nfs/dbraw/zinc/39/65/46/411396546.db2.gz QJNOZSNYUPLQLH-VIFPVBQESA-N -1 3 243.270 0.571 20 0 BCADHM O=C(N[C@@H]1CNc2ccccc2C1)c1cnn[n-]1 ZINC000404434973 411396548 /nfs/dbraw/zinc/39/65/48/411396548.db2.gz QJNOZSNYUPLQLH-VIFPVBQESA-N -1 3 243.270 0.571 20 0 BCADHM O=C(N[C@@H]1CNc2ccccc2C1)c1cn[n-]n1 ZINC000404434973 411396552 /nfs/dbraw/zinc/39/65/52/411396552.db2.gz QJNOZSNYUPLQLH-VIFPVBQESA-N -1 3 243.270 0.571 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)n1 ZINC000657052007 411397613 /nfs/dbraw/zinc/39/76/13/411397613.db2.gz YOZAIFCOQATRET-WPRPVWTQSA-N -1 3 241.316 0.641 20 0 BCADHM CCN(CC)CC(=O)N(CC)[C@@H](C)C(=O)[O-] ZINC000659772535 411451370 /nfs/dbraw/zinc/45/13/70/411451370.db2.gz QTWAQIFSHFDLPZ-VIFPVBQESA-N -1 3 230.308 0.650 20 0 BCADHM O=C(N[C@H]1CCOC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654947918 411466880 /nfs/dbraw/zinc/46/68/80/411466880.db2.gz WRIFZELLFDPUSB-QMMMGPOBSA-N -1 3 249.270 0.578 20 0 BCADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297937335 411483206 /nfs/dbraw/zinc/48/32/06/411483206.db2.gz YYPPGWNRTHFGDO-PHDIDXHHSA-N -1 3 239.279 0.524 20 0 BCADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297937335 411483210 /nfs/dbraw/zinc/48/32/10/411483210.db2.gz YYPPGWNRTHFGDO-PHDIDXHHSA-N -1 3 239.279 0.524 20 0 BCADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297937335 411483212 /nfs/dbraw/zinc/48/32/12/411483212.db2.gz YYPPGWNRTHFGDO-PHDIDXHHSA-N -1 3 239.279 0.524 20 0 BCADHM CCN1CCCC[C@H]1CNC(=O)C(=O)[O-] ZINC000308895329 169961119 /nfs/dbraw/zinc/96/11/19/169961119.db2.gz ZDJAPVNZXNRJLE-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM CC[C@H](C(=O)NC[C@@H](C)C(=O)[O-])N(CC)CC ZINC000655559983 411507685 /nfs/dbraw/zinc/50/76/85/411507685.db2.gz GSQCKQLNCISRNC-NXEZZACHSA-N -1 3 244.335 0.944 20 0 BCADHM C[C@@H](O)C1([N-]S(=O)(=O)c2cscn2)CC1 ZINC000660046991 411531092 /nfs/dbraw/zinc/53/10/92/411531092.db2.gz QRMXMKKYGKYNNS-ZCFIWIBFSA-N -1 3 248.329 0.335 20 0 BCADHM C[C@@H](O)C1([N-]S(=O)(=O)c2ccco2)CC1 ZINC000660045921 411531156 /nfs/dbraw/zinc/53/11/56/411531156.db2.gz CDYIPBFQGDASDY-SSDOTTSWSA-N -1 3 231.273 0.471 20 0 BCADHM CCNC(=O)CN1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000062877566 170059700 /nfs/dbraw/zinc/05/97/00/170059700.db2.gz OWFZKLFLMKXTSI-GFCCVEGCSA-N -1 3 242.319 0.699 20 0 BCADHM CCNC(=O)CSc1ncc(C(=O)OC)[n-]1 ZINC000187598688 170069380 /nfs/dbraw/zinc/06/93/80/170069380.db2.gz NKDUHLUEIFWRIR-UHFFFAOYSA-N -1 3 243.288 0.425 20 0 BCADHM CCNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000043466946 170084662 /nfs/dbraw/zinc/08/46/62/170084662.db2.gz KHWGCYBNOIDKSK-UHFFFAOYSA-N -1 3 233.227 0.712 20 0 BCADHM CCNC(=O)[C@H](C)[N-]C(=O)C(C)(Cl)Cl ZINC000271949353 170092978 /nfs/dbraw/zinc/09/29/78/170092978.db2.gz OFESMEIHDNJTFK-YFKPBYRVSA-N -1 3 241.118 0.821 20 0 BCADHM CCNS(=O)(=O)[N-][C@@H](COC)c1ccco1 ZINC000080790239 170135360 /nfs/dbraw/zinc/13/53/60/170135360.db2.gz NPFNSWLLIUQTHO-QMMMGPOBSA-N -1 3 248.304 0.411 20 0 BCADHM CC[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000299669325 170136418 /nfs/dbraw/zinc/13/64/18/170136418.db2.gz UGLIQBNZSQPHRG-UHFFFAOYSA-N -1 3 249.313 0.833 20 0 BCADHM CC[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000095091594 170137283 /nfs/dbraw/zinc/13/72/83/170137283.db2.gz IAHBSLWSDSHXIC-UHFFFAOYSA-N -1 3 200.263 0.688 20 0 BCADHM CCOC(=O)CC(=O)Nc1ncccc1[O-] ZINC000082264698 170197607 /nfs/dbraw/zinc/19/76/07/170197607.db2.gz BSYZLBFHOJDUIN-UHFFFAOYSA-N -1 3 224.216 0.679 20 0 BCADHM CCOC(=O)CNC(=O)c1c([O-])cccc1O ZINC000150052844 170224645 /nfs/dbraw/zinc/22/46/45/170224645.db2.gz QHMYFHOHOYYVRQ-UHFFFAOYSA-N -1 3 239.227 0.391 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)c1ccco1 ZINC000188681447 170226133 /nfs/dbraw/zinc/22/61/33/170226133.db2.gz RSUXIHFPRDDSGL-UHFFFAOYSA-N -1 3 233.245 0.121 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)CCC(C)C ZINC000111658159 170226139 /nfs/dbraw/zinc/22/61/39/170226139.db2.gz RLKBHURUHCJGGK-UHFFFAOYSA-N -1 3 237.321 0.515 20 0 BCADHM CCOC(=O)[C@H](CC)SCc1nc(=O)[n-][nH]1 ZINC000280050533 170272572 /nfs/dbraw/zinc/27/25/72/170272572.db2.gz YBEOSPFZXOBAJG-LURJTMIESA-N -1 3 245.304 0.673 20 0 BCADHM CCOC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000352852619 170302351 /nfs/dbraw/zinc/30/23/51/170302351.db2.gz RSQQRWMWOKBPKH-UHFFFAOYSA-N -1 3 249.226 0.211 20 0 BCADHM CCOC1CC(C(=O)Nc2ccncc2[O-])C1 ZINC000353427277 170321610 /nfs/dbraw/zinc/32/16/10/170321610.db2.gz BGXGWDQIIZIMBE-UHFFFAOYSA-N -1 3 236.271 0.963 20 0 BCADHM CCOC1CN(C(=O)c2cc(C)nc(=O)[n-]2)C1 ZINC000295016688 170334936 /nfs/dbraw/zinc/33/49/36/170334936.db2.gz VZTYMWXTNOATGN-UHFFFAOYSA-N -1 3 237.259 0.352 20 0 BCADHM CCOCC(=O)[N-]c1nncn1-c1cccnc1 ZINC000288063196 170350293 /nfs/dbraw/zinc/35/02/93/170350293.db2.gz NYEYLMOCASSZCG-UHFFFAOYSA-N -1 3 247.258 0.637 20 0 BCADHM O=C([N-]c1nc2n(n1)CCCC2)c1ccco1 ZINC000335080923 411633109 /nfs/dbraw/zinc/63/31/09/411633109.db2.gz KGALTYCDKMRPPH-UHFFFAOYSA-N -1 3 232.243 1.460 20 0 BCADHM COc1ccc(C(=O)[N-]c2nocc2C)nn1 ZINC000435724690 411716575 /nfs/dbraw/zinc/71/65/75/411716575.db2.gz UYOPURYFAZOALU-UHFFFAOYSA-N -1 3 234.215 1.034 20 0 BCADHM [O-]c1cccnc1CNc1nccn2nnnc12 ZINC000530431475 411697149 /nfs/dbraw/zinc/69/71/49/411697149.db2.gz BMTJLVONPABARY-UHFFFAOYSA-N -1 3 243.230 0.232 20 0 BCADHM CCS(=O)(=O)[N-]c1ccc(N(C)C)cn1 ZINC000186423322 170620563 /nfs/dbraw/zinc/62/05/63/170620563.db2.gz IUFRYBZHWKCKME-UHFFFAOYSA-N -1 3 229.305 0.909 20 0 BCADHM COc1nnc(NC(=O)c2cc(C)nc(C)n2)[n-]1 ZINC000541708055 411774847 /nfs/dbraw/zinc/77/48/47/411774847.db2.gz VDKJTKFGYFFWDE-UHFFFAOYSA-N -1 3 248.246 0.472 20 0 BCADHM COc1nc(NC(=O)c2cc(C)nc(C)n2)n[n-]1 ZINC000541708055 411774850 /nfs/dbraw/zinc/77/48/50/411774850.db2.gz VDKJTKFGYFFWDE-UHFFFAOYSA-N -1 3 248.246 0.472 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(C)nc(C)n2)n1 ZINC000541708055 411774852 /nfs/dbraw/zinc/77/48/52/411774852.db2.gz VDKJTKFGYFFWDE-UHFFFAOYSA-N -1 3 248.246 0.472 20 0 BCADHM Cc1nnc([N-]C(=O)C(=O)c2ccccc2)n1C ZINC000350972695 411793774 /nfs/dbraw/zinc/79/37/74/411793774.db2.gz CKOUAPJKPZFEEW-UHFFFAOYSA-N -1 3 244.254 0.945 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1O)c1c([O-])cccc1O ZINC000132168305 411812673 /nfs/dbraw/zinc/81/26/73/411812673.db2.gz ALFFYVCALZRIMI-YUMQZZPRSA-N -1 3 237.255 0.741 20 0 BCADHM O=C1NCC[C@@H]1[N-]c1nnc(C(F)F)s1 ZINC000664135149 411866747 /nfs/dbraw/zinc/86/67/47/411866747.db2.gz PHRQUKDWQOGEFK-VKHMYHEASA-N -1 3 234.231 0.776 20 0 BCADHM Cn1ccc(C[N-]c2nnc(C(F)(F)F)o2)n1 ZINC000566042723 411841348 /nfs/dbraw/zinc/84/13/48/411841348.db2.gz XCNSMNKXTVBCKC-UHFFFAOYSA-N -1 3 247.180 1.434 20 0 BCADHM CCC[C@@H]1C[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000517266573 411912116 /nfs/dbraw/zinc/91/21/16/411912116.db2.gz HZUVMDJUVCODAK-SVRRBLITSA-N -1 3 232.291 0.909 20 0 BCADHM CCC[C@@H]1C[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000517266571 411914892 /nfs/dbraw/zinc/91/48/92/411914892.db2.gz HZUVMDJUVCODAK-HTRCEHHLSA-N -1 3 232.291 0.909 20 0 BCADHM Nc1nc(=NCCC(F)(F)F)nc2[nH][n-]cc1-2 ZINC000354576211 411925264 /nfs/dbraw/zinc/92/52/64/411925264.db2.gz NOECDZPNNUOFAC-UHFFFAOYSA-N -1 3 246.196 0.673 20 0 BCADHM Nc1nc(=NCC2CCCC2)nc2[nH][n-]cc1-2 ZINC000539291149 411925735 /nfs/dbraw/zinc/92/57/35/411925735.db2.gz CIVBAMSTHFUXRP-UHFFFAOYSA-N -1 3 232.291 0.911 20 0 BCADHM Nc1nc(=N[C@H]2CCC[C@@H]2F)nc2[nH][n-]cc1-2 ZINC000338824758 411927091 /nfs/dbraw/zinc/92/70/91/411927091.db2.gz QHGNRQIXIGEPLH-BQBZGAKWSA-N -1 3 236.254 0.611 20 0 BCADHM Nc1nc(=N[C@H]2CC[C@H](O)CC2)nc2[nH][n-]cc1-2 ZINC000544846507 411927855 /nfs/dbraw/zinc/92/78/55/411927855.db2.gz UHAXPWHDWIYGCA-KNVOCYPGSA-N -1 3 248.290 0.024 20 0 BCADHM CC(C)=CCN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000336644783 411869163 /nfs/dbraw/zinc/86/91/63/411869163.db2.gz AFORETVIBRILOU-UHFFFAOYSA-N -1 3 218.264 0.687 20 0 BCADHM CC1(C)C[C@H](N=c2ncnc3[nH][n-]cc2-3)CO1 ZINC000664146197 411871612 /nfs/dbraw/zinc/87/16/12/411871612.db2.gz ZEYWZAOSXNDIDM-ZETCQYMHSA-N -1 3 233.275 0.706 20 0 BCADHM CC(C)[C@]1(C)C[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000572491405 411882010 /nfs/dbraw/zinc/88/20/10/411882010.db2.gz VHWRRZWLJRFDIX-UFBFGSQYSA-N -1 3 246.318 1.155 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1nccn1C ZINC000664609236 411998110 /nfs/dbraw/zinc/99/81/10/411998110.db2.gz WOKZBGSQCWYTIM-ZETCQYMHSA-N -1 3 243.274 0.633 20 0 BCADHM C[C@@H]1CN([C@H]2CCN(CC(=O)[O-])C2=O)C[C@H]1C ZINC000662202337 412023483 /nfs/dbraw/zinc/02/34/83/412023483.db2.gz AGYYMOBKVBCYOZ-BBBLOLIVSA-N -1 3 240.303 0.260 20 0 BCADHM CN(C1CCCC1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662201118 412024090 /nfs/dbraw/zinc/02/40/90/412024090.db2.gz PATGSVCTAYVGQP-SNVBAGLBSA-N -1 3 240.303 0.546 20 0 BCADHM CC[C@@H](C)N(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662204042 412024157 /nfs/dbraw/zinc/02/41/57/412024157.db2.gz SXMGKWFCIHFHMG-BDAKNGLRSA-N -1 3 228.292 0.402 20 0 BCADHM CCN(CC(C)C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662203881 412024516 /nfs/dbraw/zinc/02/45/16/412024516.db2.gz RZINSFTYQGOVCT-JTQLQIEISA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@H](C)CN(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662206456 412025736 /nfs/dbraw/zinc/02/57/36/412025736.db2.gz PWLWDRCDGHMDCP-UWVGGRQHSA-N -1 3 242.319 0.650 20 0 BCADHM CC(C)[C@H](C)N(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662204715 412025795 /nfs/dbraw/zinc/02/57/95/412025795.db2.gz VPRKVQWEMAEGPE-VHSXEESVSA-N -1 3 242.319 0.648 20 0 BCADHM CC[C@@H]1CCC[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC000328607675 171001322 /nfs/dbraw/zinc/00/13/22/171001322.db2.gz LJOSVXIFIMBKII-RKDXNWHRSA-N -1 3 224.308 0.777 20 0 BCADHM CC[C@@H]1C[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000348183988 171132737 /nfs/dbraw/zinc/13/27/37/171132737.db2.gz NTJXPWYIRCFXFL-HTRCEHHLSA-N -1 3 203.249 0.937 20 0 BCADHM CC[C@@](C)(CO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000080874472 171169860 /nfs/dbraw/zinc/16/98/60/171169860.db2.gz GZXPHESRDMFLTO-LBPRGKRZSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@](C)(O)CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268887640 171182772 /nfs/dbraw/zinc/18/27/72/171182772.db2.gz SBFUSOZLMAZPFB-LLVKDONJSA-N -1 3 239.275 0.381 20 0 BCADHM CC[C@@]1(O)CCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000329979628 171215235 /nfs/dbraw/zinc/21/52/35/171215235.db2.gz JYNTUJBYTKBVEY-SNVBAGLBSA-N -1 3 242.300 0.836 20 0 BCADHM CC[C@H](C)[C@@H](C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297937332 171361023 /nfs/dbraw/zinc/36/10/23/171361023.db2.gz YYPPGWNRTHFGDO-NTSWFWBYSA-N -1 3 239.279 0.524 20 0 BCADHM CC[C@H](C)[C@@H](C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297937332 171361024 /nfs/dbraw/zinc/36/10/24/171361024.db2.gz YYPPGWNRTHFGDO-NTSWFWBYSA-N -1 3 239.279 0.524 20 0 BCADHM CC[C@H](C)[C@@H](C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297937332 171361026 /nfs/dbraw/zinc/36/10/26/171361026.db2.gz YYPPGWNRTHFGDO-NTSWFWBYSA-N -1 3 239.279 0.524 20 0 BCADHM CC[C@H](C)[C@H](C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297937341 171385591 /nfs/dbraw/zinc/38/55/91/171385591.db2.gz YYPPGWNRTHFGDO-WDSKDSINSA-N -1 3 239.279 0.524 20 0 BCADHM CC[C@H](C)[C@H](C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297937341 171385593 /nfs/dbraw/zinc/38/55/93/171385593.db2.gz YYPPGWNRTHFGDO-WDSKDSINSA-N -1 3 239.279 0.524 20 0 BCADHM CC[C@H](C)[C@H](C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297937341 171385594 /nfs/dbraw/zinc/38/55/94/171385594.db2.gz YYPPGWNRTHFGDO-WDSKDSINSA-N -1 3 239.279 0.524 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)c1c[n-]nn1)C(=O)OC ZINC000096475040 171399210 /nfs/dbraw/zinc/39/92/10/171399210.db2.gz WLAVYTIUADVCFC-XPUUQOCRSA-N -1 3 240.263 0.122 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)c1cnn[n-]1)C(=O)OC ZINC000096475040 171399212 /nfs/dbraw/zinc/39/92/12/171399212.db2.gz WLAVYTIUADVCFC-XPUUQOCRSA-N -1 3 240.263 0.122 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)c1cn[n-]n1)C(=O)OC ZINC000096475040 171399213 /nfs/dbraw/zinc/39/92/13/171399213.db2.gz WLAVYTIUADVCFC-XPUUQOCRSA-N -1 3 240.263 0.122 20 0 BCADHM Cc1ccc(NC(=O)[C@@H]2CC(=O)N2)c([O-])c1 ZINC000665202770 412136331 /nfs/dbraw/zinc/13/63/31/412136331.db2.gz OBTYGEJDLZSIQL-QMMMGPOBSA-N -1 3 220.228 0.528 20 0 BCADHM Cn1cncc1C[N-]c1nnc(C(F)(F)F)o1 ZINC000428330558 412160113 /nfs/dbraw/zinc/16/01/13/412160113.db2.gz PKFIEWITKNCJOY-UHFFFAOYSA-N -1 3 247.180 1.434 20 0 BCADHM CC[C@H](OC)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000275148246 171587509 /nfs/dbraw/zinc/58/75/09/171587509.db2.gz NJGQXOONZRWVHF-LURJTMIESA-N -1 3 241.247 0.560 20 0 BCADHM CC(C)CCn1ccc(NC(=O)c2nnc[n-]2)n1 ZINC000358467213 412277998 /nfs/dbraw/zinc/27/79/98/412277998.db2.gz KVIHREHLFXCPOO-UHFFFAOYSA-N -1 3 248.290 1.300 20 0 BCADHM CC(C)CCn1ccc(NC(=O)c2nc[n-]n2)n1 ZINC000358467213 412278000 /nfs/dbraw/zinc/27/80/00/412278000.db2.gz KVIHREHLFXCPOO-UHFFFAOYSA-N -1 3 248.290 1.300 20 0 BCADHM CNC(=O)[C@@H](C)[N-]c1noc(C(C)(C)C)n1 ZINC000336762513 412284045 /nfs/dbraw/zinc/28/40/45/412284045.db2.gz LKNVDDFANNBTSV-ZCFIWIBFSA-N -1 3 226.280 0.914 20 0 BCADHM Cc1cc(C(=O)[N-]c2nnc(C)n2C)on1 ZINC000330807392 412305474 /nfs/dbraw/zinc/30/54/74/412305474.db2.gz HYIDJSKEKOQHOT-UHFFFAOYSA-N -1 3 221.220 0.672 20 0 BCADHM CC(C)n1cncc1C[N-]c1nnco1 ZINC000424715595 412328550 /nfs/dbraw/zinc/32/85/50/412328550.db2.gz GPAJHZUHNBXNPO-UHFFFAOYSA-N -1 3 207.237 1.459 20 0 BCADHM CCC[C@@H](O)[C@H](CO)[N-]c1nnc(C2CC2)o1 ZINC000413493266 412363747 /nfs/dbraw/zinc/36/37/47/412363747.db2.gz LJMVGEVAYNDTQN-DTWKUNHWSA-N -1 3 241.291 0.881 20 0 BCADHM N[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1F ZINC000662746541 412289749 /nfs/dbraw/zinc/28/97/49/412289749.db2.gz MHNPWMMOEQNNFB-NXEZZACHSA-N -1 3 238.262 0.904 20 0 BCADHM CC[C@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662753193 412291680 /nfs/dbraw/zinc/29/16/80/412291680.db2.gz POSDGIVYQXPASX-ZETCQYMHSA-N -1 3 238.291 0.303 20 0 BCADHM CC[C@H](C)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662753193 412291683 /nfs/dbraw/zinc/29/16/83/412291683.db2.gz POSDGIVYQXPASX-ZETCQYMHSA-N -1 3 238.291 0.303 20 0 BCADHM CCc1ncc([N-]S(=O)(=O)N(C)CC)cn1 ZINC000269483836 172023176 /nfs/dbraw/zinc/02/31/76/172023176.db2.gz PMLMRNWAOVKMQS-UHFFFAOYSA-N -1 3 244.320 0.647 20 0 BCADHM CCn1c(=O)[n-]nc1S(=O)(=O)CC1CC1 ZINC000178113596 172146451 /nfs/dbraw/zinc/14/64/51/172146451.db2.gz WPAOWPXAWQDIGR-UHFFFAOYSA-N -1 3 231.277 0.187 20 0 BCADHM CCn1cc([N-]S(=O)(=O)N2CCCC2)cn1 ZINC000265738831 172186948 /nfs/dbraw/zinc/18/69/48/172186948.db2.gz FMWJHRIDFIICLT-UHFFFAOYSA-N -1 3 244.320 0.656 20 0 BCADHM CCn1cc([N-]S(=O)(=O)C2CC2)cn1 ZINC000171334151 172187329 /nfs/dbraw/zinc/18/73/29/172187329.db2.gz NHDYNIJOPRKSOG-UHFFFAOYSA-N -1 3 215.278 0.807 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H](OC)C(C)C ZINC000356182079 172237924 /nfs/dbraw/zinc/23/79/24/172237924.db2.gz UTYQZIOPOWBTCQ-QMMMGPOBSA-N -1 3 226.280 0.908 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@](C)(O)C(C)C ZINC000330632023 172238813 /nfs/dbraw/zinc/23/88/13/172238813.db2.gz HCMQZHUTIAXRTN-JTQLQIEISA-N -1 3 226.280 0.644 20 0 BCADHM CCn1nccc1NC(=O)c1cnn[n-]1 ZINC000341912552 172276898 /nfs/dbraw/zinc/27/68/98/172276898.db2.gz RNVNFHPUEJGDRZ-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CCn1nccc1NC(=O)c1c[n-]nn1 ZINC000341912552 172276899 /nfs/dbraw/zinc/27/68/99/172276899.db2.gz RNVNFHPUEJGDRZ-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CCn1nccc1NC(=O)c1cn[n-]n1 ZINC000341912552 172276900 /nfs/dbraw/zinc/27/69/00/172276900.db2.gz RNVNFHPUEJGDRZ-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CN(C(=O)CN1CCC[C@@H]1CC(=O)[O-])C1CC1 ZINC000049306439 172308587 /nfs/dbraw/zinc/30/85/87/172308587.db2.gz YEKJESLLWMQNEW-SNVBAGLBSA-N -1 3 240.303 0.546 20 0 BCADHM CN(C(=O)CN1CC(=O)[N-]C1=O)c1ccccc1 ZINC000110038072 172308762 /nfs/dbraw/zinc/30/87/62/172308762.db2.gz HHCBJSIUBNLRGI-UHFFFAOYSA-N -1 3 247.254 0.201 20 0 BCADHM CN(C(=O)c1csc(=O)[n-]1)[C@@H]1CCC[C@H]1O ZINC000329330920 172347363 /nfs/dbraw/zinc/34/73/63/172347363.db2.gz VXPVKSVQJBIZMS-HTQZYQBOSA-N -1 3 242.300 0.834 20 0 BCADHM CN(C)C(=O)COc1ccc2c([O-])coc2c1 ZINC000057524362 172373527 /nfs/dbraw/zinc/37/35/27/172373527.db2.gz FYIXSGKQHOSANE-UHFFFAOYSA-N -1 3 235.239 0.729 20 0 BCADHM CN1CCC[C@@H]1CNC(=O)c1cncc([O-])c1 ZINC000171866660 173029799 /nfs/dbraw/zinc/02/97/99/173029799.db2.gz YWGUEXBQTUYEKX-SNVBAGLBSA-N -1 3 235.287 0.611 20 0 BCADHM CNC(=O)C1CN(C(=O)c2cccc(C)c2[O-])C1 ZINC000186174703 173225495 /nfs/dbraw/zinc/22/54/95/173225495.db2.gz LZTJNBGFZSPFKF-UHFFFAOYSA-N -1 3 248.282 0.519 20 0 BCADHM CNC(=O)CN(C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000279350015 173270883 /nfs/dbraw/zinc/27/08/83/173270883.db2.gz FKSQEUUAOWZELC-MRVPVSSYSA-N -1 3 238.291 0.229 20 0 BCADHM CNC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000038027659 173273824 /nfs/dbraw/zinc/27/38/24/173273824.db2.gz UWFDJNVHVDXJQJ-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM CNC(=O)NCC(=O)Nc1c(C)cccc1[O-] ZINC000272439580 173290180 /nfs/dbraw/zinc/29/01/80/173290180.db2.gz ILDYCWVQPTWDRV-UHFFFAOYSA-N -1 3 237.259 0.568 20 0 BCADHM CNC(=O)[C@H](C)NCc1nc(C)ccc1[O-] ZINC000082424839 173302799 /nfs/dbraw/zinc/30/27/99/173302799.db2.gz MQQUMKPBJNUJDO-QMMMGPOBSA-N -1 3 223.276 0.320 20 0 BCADHM CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000336353436 173309213 /nfs/dbraw/zinc/30/92/13/173309213.db2.gz OCAPNBGEMJWABY-UHFFFAOYSA-N -1 3 202.217 0.831 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)CCC1CC1 ZINC000297661643 173314591 /nfs/dbraw/zinc/31/45/91/173314591.db2.gz GBOJHZOTMOBHEY-UHFFFAOYSA-N -1 3 237.263 0.293 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)CCC1CC1 ZINC000297661643 173314593 /nfs/dbraw/zinc/31/45/93/173314593.db2.gz GBOJHZOTMOBHEY-UHFFFAOYSA-N -1 3 237.263 0.293 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)CCC1CC1 ZINC000297661643 173314596 /nfs/dbraw/zinc/31/45/96/173314596.db2.gz GBOJHZOTMOBHEY-UHFFFAOYSA-N -1 3 237.263 0.293 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C[C@@H]1C=CCC1 ZINC000297692170 173314835 /nfs/dbraw/zinc/31/48/35/173314835.db2.gz IWMHTAYOPANTRI-SSDOTTSWSA-N -1 3 249.274 0.459 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C[C@@H]1C=CCC1 ZINC000297692170 173314837 /nfs/dbraw/zinc/31/48/37/173314837.db2.gz IWMHTAYOPANTRI-SSDOTTSWSA-N -1 3 249.274 0.459 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C[C@@H]1C=CCC1 ZINC000297692170 173314840 /nfs/dbraw/zinc/31/48/40/173314840.db2.gz IWMHTAYOPANTRI-SSDOTTSWSA-N -1 3 249.274 0.459 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)CC(C)(C)C ZINC000297767166 173314900 /nfs/dbraw/zinc/31/49/00/173314900.db2.gz PKOVSEQMNGBEPR-UHFFFAOYSA-N -1 3 239.279 0.539 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)CC(C)(C)C ZINC000297767166 173314901 /nfs/dbraw/zinc/31/49/01/173314901.db2.gz PKOVSEQMNGBEPR-UHFFFAOYSA-N -1 3 239.279 0.539 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)CC(C)(C)C ZINC000297767166 173314902 /nfs/dbraw/zinc/31/49/02/173314902.db2.gz PKOVSEQMNGBEPR-UHFFFAOYSA-N -1 3 239.279 0.539 20 0 BCADHM COC(=O)c1cc(NC(=O)c2nc[n-]n2)cn1C ZINC000358594698 173860864 /nfs/dbraw/zinc/86/08/64/173860864.db2.gz SYMFTDGGSCKDPU-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM COCC(=O)[N-]c1ncnn1-c1ccccc1 ZINC000339176618 174047637 /nfs/dbraw/zinc/04/76/37/174047637.db2.gz UAEFXEDOUMQKQR-UHFFFAOYSA-N -1 3 232.243 0.274 20 0 BCADHM COCC(=O)Nc1nnc(SC)[n-]1 ZINC000263851998 174060527 /nfs/dbraw/zinc/06/05/27/174060527.db2.gz DDLAWIODRKZFIT-UHFFFAOYSA-N -1 3 202.239 0.112 20 0 BCADHM COCC(=O)Nc1nc(SC)n[n-]1 ZINC000263851998 174060528 /nfs/dbraw/zinc/06/05/28/174060528.db2.gz DDLAWIODRKZFIT-UHFFFAOYSA-N -1 3 202.239 0.112 20 0 BCADHM COCC(=O)Nc1n[n-]c(SC)n1 ZINC000263851998 174060529 /nfs/dbraw/zinc/06/05/29/174060529.db2.gz DDLAWIODRKZFIT-UHFFFAOYSA-N -1 3 202.239 0.112 20 0 BCADHM COCC1(NC(=O)c2c[n-]nn2)CCC1 ZINC000285693418 174109648 /nfs/dbraw/zinc/10/96/48/174109648.db2.gz BDYKLMGLICNWNK-UHFFFAOYSA-N -1 3 210.237 0.104 20 0 BCADHM COCC1(NC(=O)c2cnn[n-]2)CCC1 ZINC000285693418 174109651 /nfs/dbraw/zinc/10/96/51/174109651.db2.gz BDYKLMGLICNWNK-UHFFFAOYSA-N -1 3 210.237 0.104 20 0 BCADHM COCC1(NC(=O)c2cn[n-]n2)CCC1 ZINC000285693418 174109652 /nfs/dbraw/zinc/10/96/52/174109652.db2.gz BDYKLMGLICNWNK-UHFFFAOYSA-N -1 3 210.237 0.104 20 0 BCADHM COCCC1(C(=O)Nc2nnc(OC)[n-]2)CC1 ZINC000182998854 174151017 /nfs/dbraw/zinc/15/10/17/174151017.db2.gz RMEFRIGJAUZXDA-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COCCC1(C(=O)Nc2n[n-]c(OC)n2)CC1 ZINC000182998854 174151019 /nfs/dbraw/zinc/15/10/19/174151019.db2.gz RMEFRIGJAUZXDA-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COCCC1(C(=O)Nc2nc(OC)n[n-]2)CC1 ZINC000182998854 174151020 /nfs/dbraw/zinc/15/10/20/174151020.db2.gz RMEFRIGJAUZXDA-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COCCCN(C)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000341926036 174220038 /nfs/dbraw/zinc/22/00/38/174220038.db2.gz IVUIUPJQEFUKMW-UHFFFAOYSA-N -1 3 236.279 0.190 20 0 BCADHM COCCCNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268572607 174245006 /nfs/dbraw/zinc/24/50/06/174245006.db2.gz CSBJKLJFZUNPDW-UHFFFAOYSA-N -1 3 225.248 0.257 20 0 BCADHM COCCCO[N-]C(=O)/C=C/c1cnccn1 ZINC000287867756 174254757 /nfs/dbraw/zinc/25/47/57/174254757.db2.gz PUFMLVLNDUGOEK-ONEGZZNKSA-N -1 3 237.259 0.574 20 0 BCADHM COCCCO[N-]C(=O)Cc1cnn(C)c1 ZINC000287968403 174255617 /nfs/dbraw/zinc/25/56/17/174255617.db2.gz XTSPMKIQKFRQAX-UHFFFAOYSA-N -1 3 227.264 0.047 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC000376380232 174256458 /nfs/dbraw/zinc/25/64/58/174256458.db2.gz FVUYKEZVCCUBSC-KOLCDFICSA-N -1 3 229.276 0.497 20 0 BCADHM COCCOCC(=O)[N-]c1nncn1C1CC1 ZINC000356177684 174347873 /nfs/dbraw/zinc/34/78/73/174347873.db2.gz BXLYHXGZMRBCIM-UHFFFAOYSA-N -1 3 240.263 0.215 20 0 BCADHM COCCS(=O)(=O)[N-]c1cccnc1 ZINC000110123200 174374325 /nfs/dbraw/zinc/37/43/25/174374325.db2.gz VRSFFTODPXPBDE-UHFFFAOYSA-N -1 3 216.262 0.470 20 0 BCADHM CON(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000274504127 174655233 /nfs/dbraw/zinc/65/52/33/174655233.db2.gz PUXIGXWOQWCAIP-UHFFFAOYSA-N -1 3 238.243 0.142 20 0 BCADHM CO[C@H](C)CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000276018776 174832985 /nfs/dbraw/zinc/83/29/85/174832985.db2.gz RVUOTZDGHFKSFF-SSDOTTSWSA-N -1 3 225.248 0.255 20 0 BCADHM CO[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1(C)C ZINC000331740798 174905270 /nfs/dbraw/zinc/90/52/70/174905270.db2.gz ANSVUSCXCLRMFE-RQJHMYQMSA-N -1 3 226.280 0.413 20 0 BCADHM COc1ccc(C(=O)NCCN(C)C)c([O-])c1 ZINC000019837302 175060497 /nfs/dbraw/zinc/06/04/97/175060497.db2.gz MZTDNIQIZRKMBO-UHFFFAOYSA-N -1 3 238.287 0.692 20 0 BCADHM COc1cccc(C(=O)N2CCNCC2)c1[O-] ZINC000019517154 175243175 /nfs/dbraw/zinc/24/31/75/175243175.db2.gz OBTWYLLNCGUVJD-UHFFFAOYSA-N -1 3 236.271 0.446 20 0 BCADHM COc1cccc(NC(=O)c2cnn[n-]2)c1O ZINC000352889433 175278334 /nfs/dbraw/zinc/27/83/34/175278334.db2.gz PWTNWPUNYFKHFA-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COc1cccc(NC(=O)c2c[n-]nn2)c1O ZINC000352889433 175278336 /nfs/dbraw/zinc/27/83/36/175278336.db2.gz PWTNWPUNYFKHFA-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COc1cccc(NC(=O)c2cn[n-]n2)c1O ZINC000352889433 175278338 /nfs/dbraw/zinc/27/83/38/175278338.db2.gz PWTNWPUNYFKHFA-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COc1nn(C)cc1[N-]c1nccc(OC)n1 ZINC000352614625 175368511 /nfs/dbraw/zinc/36/85/11/175368511.db2.gz YKJLEERGMLQDOK-UHFFFAOYSA-N -1 3 235.247 0.971 20 0 BCADHM COc1nc(NC(=O)[C@H]2C[C@H]2C(F)F)n[n-]1 ZINC000338172122 175388745 /nfs/dbraw/zinc/38/87/45/175388745.db2.gz FVTFIAPOWCJZML-DMTCNVIQSA-N -1 3 232.190 0.653 20 0 BCADHM COc1nnc(NC(=O)[C@H]2C[C@H]2C(F)F)[n-]1 ZINC000338172122 175388747 /nfs/dbraw/zinc/38/87/47/175388747.db2.gz FVTFIAPOWCJZML-DMTCNVIQSA-N -1 3 232.190 0.653 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2C[C@H]2C(F)F)n1 ZINC000338172122 175388748 /nfs/dbraw/zinc/38/87/48/175388748.db2.gz FVTFIAPOWCJZML-DMTCNVIQSA-N -1 3 232.190 0.653 20 0 BCADHM COc1nnc(NC(=O)[C@@]2(C)CCCOC2)[n-]1 ZINC000272779503 175393367 /nfs/dbraw/zinc/39/33/67/175393367.db2.gz RFHBBGGORQWSAB-JTQLQIEISA-N -1 3 240.263 0.569 20 0 BCADHM COc1nc(NC(=O)[C@@]2(C)CCCOC2)n[n-]1 ZINC000272779503 175393368 /nfs/dbraw/zinc/39/33/68/175393368.db2.gz RFHBBGGORQWSAB-JTQLQIEISA-N -1 3 240.263 0.569 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@]2(C)CCCOC2)n1 ZINC000272779503 175393369 /nfs/dbraw/zinc/39/33/69/175393369.db2.gz RFHBBGGORQWSAB-JTQLQIEISA-N -1 3 240.263 0.569 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCCO[C@@H]2C)[n-]1 ZINC000189931483 175393375 /nfs/dbraw/zinc/39/33/75/175393375.db2.gz ZIHWSQPPKZMKHL-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCCO[C@@H]2C)n[n-]1 ZINC000189931483 175393376 /nfs/dbraw/zinc/39/33/76/175393376.db2.gz ZIHWSQPPKZMKHL-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCCO[C@@H]2C)n1 ZINC000189931483 175393377 /nfs/dbraw/zinc/39/33/77/175393377.db2.gz ZIHWSQPPKZMKHL-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)Cc2cncs2)[n-]1 ZINC000276233933 175393379 /nfs/dbraw/zinc/39/33/79/175393379.db2.gz NNBPYWKQFRHUEY-UHFFFAOYSA-N -1 3 239.260 0.451 20 0 BCADHM COc1nc(NC(=O)Cc2cncs2)n[n-]1 ZINC000276233933 175393380 /nfs/dbraw/zinc/39/33/80/175393380.db2.gz NNBPYWKQFRHUEY-UHFFFAOYSA-N -1 3 239.260 0.451 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2cncs2)n1 ZINC000276233933 175393381 /nfs/dbraw/zinc/39/33/81/175393381.db2.gz NNBPYWKQFRHUEY-UHFFFAOYSA-N -1 3 239.260 0.451 20 0 BCADHM COc1nnc(NC(=O)Cc2ccncc2)[n-]1 ZINC000129457116 175393435 /nfs/dbraw/zinc/39/34/35/175393435.db2.gz BHVZQJOSINJOQK-UHFFFAOYSA-N -1 3 233.231 0.390 20 0 BCADHM COc1nc(NC(=O)Cc2ccncc2)n[n-]1 ZINC000129457116 175393437 /nfs/dbraw/zinc/39/34/37/175393437.db2.gz BHVZQJOSINJOQK-UHFFFAOYSA-N -1 3 233.231 0.390 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2ccncc2)n1 ZINC000129457116 175393438 /nfs/dbraw/zinc/39/34/38/175393438.db2.gz BHVZQJOSINJOQK-UHFFFAOYSA-N -1 3 233.231 0.390 20 0 BCADHM COc1nnc(NC(=O)CC2(OC)CCC2)[n-]1 ZINC000235030184 175393721 /nfs/dbraw/zinc/39/37/21/175393721.db2.gz QSOLKFRIPXTABK-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nc(NC(=O)CC2(OC)CCC2)n[n-]1 ZINC000235030184 175393723 /nfs/dbraw/zinc/39/37/23/175393723.db2.gz QSOLKFRIPXTABK-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM COc1n[n-]c(NC(=O)CC2(OC)CCC2)n1 ZINC000235030184 175393725 /nfs/dbraw/zinc/39/37/25/175393725.db2.gz QSOLKFRIPXTABK-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nnc(NC(=O)CCOC(C)C)[n-]1 ZINC000179372872 175393836 /nfs/dbraw/zinc/39/38/36/175393836.db2.gz ANUGYYYTDXKUFH-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM COc1nc(NC(=O)CCOC(C)C)n[n-]1 ZINC000179372872 175393837 /nfs/dbraw/zinc/39/38/37/175393837.db2.gz ANUGYYYTDXKUFH-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)CCOC(C)C)n1 ZINC000179372872 175393838 /nfs/dbraw/zinc/39/38/38/175393838.db2.gz ANUGYYYTDXKUFH-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM COc1nnc(NC(=O)Cc2cccnc2C)[n-]1 ZINC000285700439 175394384 /nfs/dbraw/zinc/39/43/84/175394384.db2.gz CYKVEHJNGZQYPZ-UHFFFAOYSA-N -1 3 247.258 0.698 20 0 BCADHM COc1nc(NC(=O)Cc2cccnc2C)n[n-]1 ZINC000285700439 175394385 /nfs/dbraw/zinc/39/43/85/175394385.db2.gz CYKVEHJNGZQYPZ-UHFFFAOYSA-N -1 3 247.258 0.698 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2cccnc2C)n1 ZINC000285700439 175394386 /nfs/dbraw/zinc/39/43/86/175394386.db2.gz CYKVEHJNGZQYPZ-UHFFFAOYSA-N -1 3 247.258 0.698 20 0 BCADHM COc1nnc(NC(=O)CC(C)(C)OC)[n-]1 ZINC000230942470 175394543 /nfs/dbraw/zinc/39/45/43/175394543.db2.gz GSEMFOPXMSCAKO-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM COc1nc(NC(=O)CC(C)(C)OC)n[n-]1 ZINC000230942470 175394545 /nfs/dbraw/zinc/39/45/45/175394545.db2.gz GSEMFOPXMSCAKO-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)CC(C)(C)OC)n1 ZINC000230942470 175394546 /nfs/dbraw/zinc/39/45/46/175394546.db2.gz GSEMFOPXMSCAKO-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM COc1nnc(NC(=O)Cc2ccc(C)nc2)[n-]1 ZINC000179365590 175394806 /nfs/dbraw/zinc/39/48/06/175394806.db2.gz CWZQAFGGJKIGCP-UHFFFAOYSA-N -1 3 247.258 0.698 20 0 BCADHM COc1nc(NC(=O)Cc2ccc(C)nc2)n[n-]1 ZINC000179365590 175394807 /nfs/dbraw/zinc/39/48/07/175394807.db2.gz CWZQAFGGJKIGCP-UHFFFAOYSA-N -1 3 247.258 0.698 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2ccc(C)nc2)n1 ZINC000179365590 175394808 /nfs/dbraw/zinc/39/48/08/175394808.db2.gz CWZQAFGGJKIGCP-UHFFFAOYSA-N -1 3 247.258 0.698 20 0 BCADHM COc1nnc(NC(=O)CCc2ccncc2)[n-]1 ZINC000126826489 175395051 /nfs/dbraw/zinc/39/50/51/175395051.db2.gz BHYDXOYFMRCBAK-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM COc1nc(NC(=O)CCc2ccncc2)n[n-]1 ZINC000126826489 175395053 /nfs/dbraw/zinc/39/50/53/175395053.db2.gz BHYDXOYFMRCBAK-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM COc1n[n-]c(NC(=O)CCc2ccncc2)n1 ZINC000126826489 175395054 /nfs/dbraw/zinc/39/50/54/175395054.db2.gz BHYDXOYFMRCBAK-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM COc1nnc(NC(=O)c2cccc(C)n2)[n-]1 ZINC000126785404 175395658 /nfs/dbraw/zinc/39/56/58/175395658.db2.gz OESQWIXEXRIDIA-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nc(NC(=O)c2cccc(C)n2)n[n-]1 ZINC000126785404 175395659 /nfs/dbraw/zinc/39/56/59/175395659.db2.gz OESQWIXEXRIDIA-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1n[n-]c(NC(=O)c2cccc(C)n2)n1 ZINC000126785404 175395661 /nfs/dbraw/zinc/39/56/61/175395661.db2.gz OESQWIXEXRIDIA-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nc(NC(=O)c2ccon2)n[n-]1 ZINC000127823132 175395669 /nfs/dbraw/zinc/39/56/69/175395669.db2.gz MHJHOTLXBOIWMH-UHFFFAOYSA-N -1 3 209.165 0.054 20 0 BCADHM C[C@@H]1CN(C(=O)c2c([O-])cccc2O)CCO1 ZINC000228854844 176259518 /nfs/dbraw/zinc/25/95/18/176259518.db2.gz JAYXHSLZKSALBZ-MRVPVSSYSA-N -1 3 237.255 0.959 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])CC(=O)N1 ZINC000295952010 176263127 /nfs/dbraw/zinc/26/31/27/176263127.db2.gz IUHPIFGTTBEZQJ-MRVPVSSYSA-N -1 3 234.255 0.353 20 0 BCADHM C[C@@H]1CN(Cc2cc([O-])cc(F)c2)CC(=O)N1 ZINC000294968927 176301285 /nfs/dbraw/zinc/30/12/85/176301285.db2.gz IUBSGFFHCKURGR-MRVPVSSYSA-N -1 3 238.262 0.852 20 0 BCADHM O=c1[n-]c(CN2CCC[C@H]2C2CC2)n[nH]1 ZINC000678715221 487633359 /nfs/dbraw/zinc/63/33/59/487633359.db2.gz GSQRNUROBBDQHO-QMMMGPOBSA-N -1 3 208.265 0.885 20 0 BCADHM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)[C@H](C)CN1C ZINC000341130267 176311786 /nfs/dbraw/zinc/31/17/86/176311786.db2.gz APJWFUFKNLRRHV-HTQZYQBOSA-N -1 3 225.296 0.035 20 0 BCADHM C[C@@H]1C[C@@H](C)N(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354597624 176364140 /nfs/dbraw/zinc/36/41/40/176364140.db2.gz QLNPVLKGSJPKRX-RNFRBKRXSA-N -1 3 232.291 0.952 20 0 BCADHM C[C@@H]1C[C@@H](CNC(=O)c2c[n-]nn2)CCO1 ZINC000271447802 176369640 /nfs/dbraw/zinc/36/96/40/176369640.db2.gz YJTLTRNAGQGVKG-SFYZADRCSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H]1C[C@@H](CNC(=O)c2cnn[n-]2)CCO1 ZINC000271447802 176369642 /nfs/dbraw/zinc/36/96/42/176369642.db2.gz YJTLTRNAGQGVKG-SFYZADRCSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H]1C[C@@H](CNC(=O)c2cn[n-]n2)CCO1 ZINC000271447802 176369644 /nfs/dbraw/zinc/36/96/44/176369644.db2.gz YJTLTRNAGQGVKG-SFYZADRCSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(N)=O ZINC000117113775 177030220 /nfs/dbraw/zinc/03/02/20/177030220.db2.gz UATVEQZKRZXODP-LURJTMIESA-N -1 3 249.299 0.833 20 0 BCADHM C[C@H]1C(=O)NCCN1C(=O)c1cccc([O-])c1 ZINC000106359751 177059663 /nfs/dbraw/zinc/05/96/63/177059663.db2.gz ZLVJQZYQJGUXEY-QMMMGPOBSA-N -1 3 234.255 0.353 20 0 BCADHM C[C@H](CNC(=O)C(=O)[O-])N1CCC[C@H](C)C1 ZINC000336755676 177105409 /nfs/dbraw/zinc/10/54/09/177105409.db2.gz XVICGZDJFMOADG-DTWKUNHWSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)[O-] ZINC000336756526 177130898 /nfs/dbraw/zinc/13/08/98/177130898.db2.gz YOLRASABNRKOJQ-IUCAKERBSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@H]1CCC[C@H](C)N1CC(=O)NCC(=O)[O-] ZINC000033433883 177131558 /nfs/dbraw/zinc/13/15/58/177131558.db2.gz CUTSLQQDXJJRQZ-IUCAKERBSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@@H]1O ZINC000351848214 177227632 /nfs/dbraw/zinc/22/76/32/177227632.db2.gz ATZDMCINMNNHST-CPCISQLKSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@H]1CN(C(=O)c2ccccc2[O-])CC(=O)N1C ZINC000282468701 177228255 /nfs/dbraw/zinc/22/82/55/177228255.db2.gz UOVBCSKVZAJIES-VIFPVBQESA-N -1 3 248.282 0.695 20 0 BCADHM C[C@@H]1C[C@H](C)CN(CC(=O)NCC(=O)[O-])C1 ZINC000033433885 177312978 /nfs/dbraw/zinc/31/29/78/177312978.db2.gz FMEPAPSNGJHRFD-DTORHVGOSA-N -1 3 228.292 0.165 20 0 BCADHM C[C@H]1C[C@H](C(=O)Nc2ccncc2[O-])CCO1 ZINC000408119845 177353218 /nfs/dbraw/zinc/35/32/18/177353218.db2.gz QSQXUMPOSWYJOR-DTWKUNHWSA-N -1 3 236.271 0.963 20 0 BCADHM C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000275535442 177408597 /nfs/dbraw/zinc/40/85/97/177408597.db2.gz YCACIFJACGURLF-HTQZYQBOSA-N -1 3 231.273 0.735 20 0 BCADHM O=C(NCCn1cccn1)c1csc(=O)[n-]1 ZINC000471854475 225088822 /nfs/dbraw/zinc/08/88/22/225088822.db2.gz ADDBKCMCXBWDAX-UHFFFAOYSA-N -1 3 238.272 0.475 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CC(O)C1 ZINC000492522955 226012097 /nfs/dbraw/zinc/01/20/97/226012097.db2.gz VNPPNERADUCUPL-UPHRSURJSA-N -1 3 220.228 0.004 20 0 BCADHM COc1nnc(NC(=O)C=Cc2ccncn2)[n-]1 ZINC000492442539 226000730 /nfs/dbraw/zinc/00/07/30/226000730.db2.gz OZCCIDPXCICFFU-IHWYPQMZSA-N -1 3 246.230 0.255 20 0 BCADHM COc1nc(NC(=O)C=Cc2ccncn2)n[n-]1 ZINC000492442539 226000732 /nfs/dbraw/zinc/00/07/32/226000732.db2.gz OZCCIDPXCICFFU-IHWYPQMZSA-N -1 3 246.230 0.255 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2ccncn2)n1 ZINC000492442539 226000738 /nfs/dbraw/zinc/00/07/38/226000738.db2.gz OZCCIDPXCICFFU-IHWYPQMZSA-N -1 3 246.230 0.255 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CC(CO)C1 ZINC000492712197 226041345 /nfs/dbraw/zinc/04/13/45/226041345.db2.gz UZJAEYGXEQTPBF-OWOJBTEDSA-N -1 3 234.255 0.251 20 0 BCADHM Cc1ccc(/C=C/C(=O)[N-]OCCCO)cn1 ZINC000493720150 226251128 /nfs/dbraw/zinc/25/11/28/226251128.db2.gz PYJUDFLVCMUPQS-AATRIKPKSA-N -1 3 236.271 0.833 20 0 BCADHM O=C(/C=C/c1ncc[nH]1)[N-]O[C@H]1CCOC1 ZINC000493807542 226255130 /nfs/dbraw/zinc/25/51/30/226255130.db2.gz DOYFIPJKMBWOOC-CMLYIYFCSA-N -1 3 223.232 0.260 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CC(F)C1 ZINC000493819035 226255593 /nfs/dbraw/zinc/25/55/93/226255593.db2.gz JKUHFMYOLMJFTM-UPHRSURJSA-N -1 3 222.219 0.981 20 0 BCADHM O=C(Cc1cncc([O-])c1)Nc1ccncc1 ZINC000557465878 322937755 /nfs/dbraw/zinc/93/77/55/322937755.db2.gz STEWUJMAMKXHKD-UHFFFAOYSA-N -1 3 229.239 0.785 20 0 BCADHM CN(C)CCN(C)c1ccnc(C(=O)[O-])c1 ZINC000082542468 487669324 /nfs/dbraw/zinc/66/93/24/487669324.db2.gz NRUKNOSZYGQNIL-UHFFFAOYSA-N -1 3 223.276 0.778 20 0 BCADHM C[C@H](C[C@H]1CCOC1)N=c1ncnc2[nH][n-]cc1-2 ZINC000675291375 487691470 /nfs/dbraw/zinc/69/14/70/487691470.db2.gz OMNOCXLCGBWFAK-RKDXNWHRSA-N -1 3 247.302 0.953 20 0 BCADHM CCOC(=O)[C@H](C)Sc1n[n-]c(CO)n1 ZINC000527055173 262804697 /nfs/dbraw/zinc/80/46/97/262804697.db2.gz ILHGXTZMIMYABV-YFKPBYRVSA-N -1 3 231.277 0.341 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000528209406 262907623 /nfs/dbraw/zinc/90/76/23/262907623.db2.gz VKLVSSAMHIWWPN-IBCQBUCCSA-N -1 3 247.302 0.950 20 0 BCADHM CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000250368916 487730655 /nfs/dbraw/zinc/73/06/55/487730655.db2.gz ZXJYOARYXGJZGM-IVZWLZJFSA-N -1 3 240.303 0.260 20 0 BCADHM CCOc1nc(C(=O)[N-]c2nncn2C)co1 ZINC000681355434 487782461 /nfs/dbraw/zinc/78/24/61/487782461.db2.gz VMFPGWHZRKLXAO-UHFFFAOYSA-N -1 3 237.219 0.454 20 0 BCADHM C[C@@H](CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)N(C)C ZINC000163999676 487787810 /nfs/dbraw/zinc/78/78/10/487787810.db2.gz VFUJACDZGFSCQO-DTWKUNHWSA-N -1 3 244.335 0.800 20 0 BCADHM C[C@@]1(O)C[C@H](NC(=O)c2ccc3n[n-]nc3c2)C1 ZINC000668032322 487807529 /nfs/dbraw/zinc/80/75/29/487807529.db2.gz BHRXDEJICHOKSS-LYWQIFSTSA-N -1 3 246.270 0.601 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CC(F)F)n1 ZINC000671060146 487808646 /nfs/dbraw/zinc/80/86/46/487808646.db2.gz GSAYPRIKPWBDMV-UHFFFAOYSA-N -1 3 225.220 0.406 20 0 BCADHM CCc1nnc(S(=O)(=O)CC(F)F)[n-]1 ZINC000671060146 487808649 /nfs/dbraw/zinc/80/86/49/487808649.db2.gz GSAYPRIKPWBDMV-UHFFFAOYSA-N -1 3 225.220 0.406 20 0 BCADHM CNC(=O)[C@@H]([N-]C(=O)C(F)F)C(C)C ZINC000787455067 585909530 /nfs/dbraw/zinc/90/95/30/585909530.db2.gz RWGKUCAFCFTUDX-YFKPBYRVSA-N -1 3 208.208 0.138 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C1(C)CCC1 ZINC000788221603 585919653 /nfs/dbraw/zinc/91/96/53/585919653.db2.gz BQPQHKHFVUTDMD-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM COC(=O)c1cnoc1CO[N-]C(C)=O ZINC000795203680 586071597 /nfs/dbraw/zinc/07/15/97/586071597.db2.gz DJJDDXLUVAAIIT-UHFFFAOYSA-N -1 3 214.177 0.029 20 0 BCADHM CCNC(=O)CCC(=O)[N-]OC/C=C\Cl ZINC000794290008 586036933 /nfs/dbraw/zinc/03/69/33/586036933.db2.gz XHDABZFLZNPROV-UTCJRWHESA-N -1 3 234.683 0.703 20 0 BCADHM COc1nc([N-]C(=O)c2coc(C3CC3)n2)n[n-]1 ZINC000681637351 487828012 /nfs/dbraw/zinc/82/80/12/487828012.db2.gz REMSYDAWSUOVFC-UHFFFAOYSA-N -1 3 249.230 0.931 20 0 BCADHM COc1nc(NC(=O)c2coc(C3CC3)n2)n[n-]1 ZINC000681637351 487828016 /nfs/dbraw/zinc/82/80/16/487828016.db2.gz REMSYDAWSUOVFC-UHFFFAOYSA-N -1 3 249.230 0.931 20 0 BCADHM CCCCC[N-]S(=O)(=O)N=S(C)(C)=O ZINC000820733829 587068941 /nfs/dbraw/zinc/06/89/41/587068941.db2.gz AEKORNMQBRXOGV-UHFFFAOYSA-N -1 3 242.366 0.739 20 0 BCADHM CCO[N-]C(=O)CN[C@@H](C)CSCCF ZINC000826143409 587351284 /nfs/dbraw/zinc/35/12/84/587351284.db2.gz YXAYYJZNCSZLTI-QMMMGPOBSA-N -1 3 238.328 0.735 20 0 BCADHM CN(C[C@H]1CCCN1CCCO)C(=O)[O-] ZINC000828222686 587425088 /nfs/dbraw/zinc/42/50/88/587425088.db2.gz CZWHHELYLGMLOI-SECBINFHSA-N -1 3 216.281 0.443 20 0 BCADHM CCCCN(CC)CC(=O)NCCC(=O)[O-] ZINC000829389827 587495217 /nfs/dbraw/zinc/49/52/17/587495217.db2.gz SFIINUSBDWZOQJ-UHFFFAOYSA-N -1 3 230.308 0.699 20 0 BCADHM COC[C@@H](NC1CN(C(=O)[O-])C1)C1CC1 ZINC000828920853 587471384 /nfs/dbraw/zinc/47/13/84/587471384.db2.gz SQDYWWRMPNMUEG-SECBINFHSA-N -1 3 214.265 0.363 20 0 BCADHM O=C([O-])NCCN1CCCC[C@H]1CO ZINC000832641839 587672300 /nfs/dbraw/zinc/67/23/00/587672300.db2.gz LRJJWZHIOWAUKG-QMMMGPOBSA-N -1 3 202.254 0.101 20 0 BCADHM O=C([O-])NCCN1CCCC[C@H]1CCO ZINC000832641597 587672400 /nfs/dbraw/zinc/67/24/00/587672400.db2.gz BQGWCBHYKQORSQ-VIFPVBQESA-N -1 3 216.281 0.491 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]O[C@H](CO)C(C)C ZINC000836892094 587841445 /nfs/dbraw/zinc/84/14/45/587841445.db2.gz MZACDJQTVKVXTQ-VHSXEESVSA-N -1 3 233.308 0.602 20 0 BCADHM CC(C)[C@@H](O)CCn1c([O-])coc1=O ZINC000882276552 591324525 /nfs/dbraw/zinc/32/45/25/591324525.db2.gz KQVNCDQVQUGRML-ZETCQYMHSA-N -1 3 201.222 0.372 20 0 BCADHM CCONC(=O)/C=C\c1cncc([O-])c1 ZINC000492469127 529083448 /nfs/dbraw/zinc/08/34/48/529083448.db2.gz CDWBXZMDJYDLRW-ARJAWSKDSA-N -1 3 208.217 0.868 20 0 BCADHM COc1ccc(NC(=O)c2nc[n-]n2)c(OC)n1 ZINC000676525947 487864550 /nfs/dbraw/zinc/86/45/50/487864550.db2.gz YDZXRMKHNMJDMS-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM O=C(N[C@H](CO)CCF)c1ccccc1[O-] ZINC000652920517 487869310 /nfs/dbraw/zinc/86/93/10/487869310.db2.gz AVIAEUHAOFUVGJ-QMMMGPOBSA-N -1 3 227.235 0.843 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC2(C(N)=O)CCC2)c1 ZINC000676681953 487891080 /nfs/dbraw/zinc/89/10/80/487891080.db2.gz BSSWNCNUKNQOMV-UHFFFAOYSA-N -1 3 248.282 0.838 20 0 BCADHM O=S(=O)([N-][C@@H](CO)CC1CC1)c1ccco1 ZINC000682083205 487906651 /nfs/dbraw/zinc/90/66/51/487906651.db2.gz KVPDUNVYYXHNHV-SECBINFHSA-N -1 3 245.300 0.719 20 0 BCADHM O=S(=O)([N-][C@H](CO)CC1CC1)c1ccco1 ZINC000682083206 487906312 /nfs/dbraw/zinc/90/63/12/487906312.db2.gz KVPDUNVYYXHNHV-VIFPVBQESA-N -1 3 245.300 0.719 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc3[n-]nnc32)C[C@H]1O ZINC000682167385 487922553 /nfs/dbraw/zinc/92/25/53/487922553.db2.gz OOJKUURHOCBUTE-GMSGAONNSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc3nn[n-]c32)C[C@H]1O ZINC000682167385 487922555 /nfs/dbraw/zinc/92/25/55/487922555.db2.gz OOJKUURHOCBUTE-GMSGAONNSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)C[C@H]1O ZINC000682167385 487922558 /nfs/dbraw/zinc/92/25/58/487922558.db2.gz OOJKUURHOCBUTE-GMSGAONNSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@@H](CO)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000676994767 487952391 /nfs/dbraw/zinc/95/23/91/487952391.db2.gz KLGAAUBZBYTVEJ-RKDXNWHRSA-N -1 3 240.307 0.318 20 0 BCADHM CO[C@H](CN1C[C@H](OC)C[C@@H]1C(=O)[O-])C1CC1 ZINC000652476815 487953535 /nfs/dbraw/zinc/95/35/35/487953535.db2.gz GUJFRXMJYJAVQQ-GMTAPVOTSA-N -1 3 243.303 0.585 20 0 BCADHM CC1(C)CN(Cc2ncccc2[O-])C[C@H]1O ZINC000569625951 323000892 /nfs/dbraw/zinc/00/08/92/323000892.db2.gz WUGPFEOTVDONDE-LLVKDONJSA-N -1 3 222.288 0.990 20 0 BCADHM Cn1cc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c(=O)[n-]c1=O ZINC000562355621 323017511 /nfs/dbraw/zinc/01/75/11/323017511.db2.gz MMIMHJNOCXEQBM-QMSLJYSESA-N -1 3 249.270 0.014 20 0 BCADHM CCC[C@@H](C)[C@@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000569699741 323037555 /nfs/dbraw/zinc/03/75/55/323037555.db2.gz SUWHZGRZKFAFPB-PSASIEDQSA-N -1 3 249.318 0.935 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@]12C[C@H]1CCC2 ZINC000570673136 323066681 /nfs/dbraw/zinc/06/66/81/323066681.db2.gz WQPCMJBZLHMSQZ-KSBSHMNSSA-N -1 3 249.274 0.293 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@]12C[C@H]1CCC2 ZINC000570673136 323066682 /nfs/dbraw/zinc/06/66/82/323066682.db2.gz WQPCMJBZLHMSQZ-KSBSHMNSSA-N -1 3 249.274 0.293 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@]12C[C@H]1CCC2 ZINC000570673136 323066683 /nfs/dbraw/zinc/06/66/83/323066683.db2.gz WQPCMJBZLHMSQZ-KSBSHMNSSA-N -1 3 249.274 0.293 20 0 BCADHM CN(CCOCCO)Cc1ncccc1[O-] ZINC000570760123 323069454 /nfs/dbraw/zinc/06/94/54/323069454.db2.gz BLWNVRSDOUJSDV-UHFFFAOYSA-N -1 3 226.276 0.228 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)C1CC1 ZINC000531351387 323087898 /nfs/dbraw/zinc/08/78/98/323087898.db2.gz NJJVQVBSCFNPOL-XCBNKYQSSA-N -1 3 237.303 0.661 20 0 BCADHM CCN(CC)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000230274804 323199437 /nfs/dbraw/zinc/19/94/37/323199437.db2.gz GJIAJTIFAPNYNX-UHFFFAOYSA-N -1 3 245.323 0.396 20 0 BCADHM Cc1ccc([O-])c(CNC[C@@H]2COCCN2)n1 ZINC000530182704 323205747 /nfs/dbraw/zinc/20/57/47/323205747.db2.gz XYONXDMLBNELPD-SNVBAGLBSA-N -1 3 237.303 0.174 20 0 BCADHM CC[C@H](CO)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000520734174 323223303 /nfs/dbraw/zinc/22/33/03/323223303.db2.gz HPRIVLNTSQCTGD-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM CC[C@H](CO)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000520734174 323223306 /nfs/dbraw/zinc/22/33/06/323223306.db2.gz HPRIVLNTSQCTGD-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM CC[C@H](CO)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000520734174 323223307 /nfs/dbraw/zinc/22/33/07/323223307.db2.gz HPRIVLNTSQCTGD-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM CCN(CCO)C(=O)c1ccc2n[n-]nc2c1 ZINC000037860887 323226787 /nfs/dbraw/zinc/22/67/87/323226787.db2.gz UZTAWCAXUOQTPD-UHFFFAOYSA-N -1 3 234.259 0.412 20 0 BCADHM COc1cccnc1NC(=O)c1nc[n-]n1 ZINC000532534025 323274835 /nfs/dbraw/zinc/27/48/35/323274835.db2.gz QDJVTIGIORWOJW-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM CCCN(C)CC(=O)NC1(C(=O)[O-])CCCC1 ZINC000532863232 323303514 /nfs/dbraw/zinc/30/35/14/323303514.db2.gz CLTBFVJGUZYDCK-UHFFFAOYSA-N -1 3 242.319 0.842 20 0 BCADHM C[C@@H]1[C@H](C(=O)[N-]c2nnc3[nH]cnn23)[C@H]1C1CC1 ZINC000529405864 324288213 /nfs/dbraw/zinc/28/82/13/324288213.db2.gz XXJRVGCTKIWZRF-ARDNSNSESA-N -1 3 246.274 0.683 20 0 BCADHM CCn1nncc1CNC(=O)c1cccc([O-])c1 ZINC000529554982 324340589 /nfs/dbraw/zinc/34/05/89/324340589.db2.gz OGSRFPDTEAJMAK-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM CCn1ncc(CNC(=O)c2ccccc2[O-])n1 ZINC000529592915 324356536 /nfs/dbraw/zinc/35/65/36/324356536.db2.gz XSXRBZMYKNBAQE-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM Cc1ncc(CNC(=O)NCC2CC2)c(=O)[n-]1 ZINC000542260145 325017923 /nfs/dbraw/zinc/01/79/23/325017923.db2.gz VIOAOYKKAHBPQY-UHFFFAOYSA-N -1 3 236.275 0.700 20 0 BCADHM C[N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000130496262 325058383 /nfs/dbraw/zinc/05/83/83/325058383.db2.gz BMMAHYGEWFKQBB-UHFFFAOYSA-N -1 3 247.247 0.520 20 0 BCADHM Cc1nnc(C[N-]S(=O)(=O)CC(C)C)s1 ZINC000543728148 325105494 /nfs/dbraw/zinc/10/54/94/325105494.db2.gz BNULAJDCWWUYQH-UHFFFAOYSA-N -1 3 249.361 0.922 20 0 BCADHM C[C@@H](CCO)CNC(=O)c1cccc2nn[n-]c21 ZINC000543748941 325109189 /nfs/dbraw/zinc/10/91/89/325109189.db2.gz FBBJSAPDFQAOMP-QMMMGPOBSA-N -1 3 248.286 0.706 20 0 BCADHM C[C@@H](CCO)CNC(=O)c1cccc2[n-]nnc21 ZINC000543748941 325109192 /nfs/dbraw/zinc/10/91/92/325109192.db2.gz FBBJSAPDFQAOMP-QMMMGPOBSA-N -1 3 248.286 0.706 20 0 BCADHM C[C@@H](CCO)CNC(=O)c1cccc2n[n-]nc21 ZINC000543748941 325109194 /nfs/dbraw/zinc/10/91/94/325109194.db2.gz FBBJSAPDFQAOMP-QMMMGPOBSA-N -1 3 248.286 0.706 20 0 BCADHM Cc1ocnc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000544340397 325138386 /nfs/dbraw/zinc/13/83/86/325138386.db2.gz PWYQBVMHGAQOHW-UHFFFAOYSA-N -1 3 248.242 0.717 20 0 BCADHM Cc1n[nH]cc1CNC1(c2nn[n-]n2)CCCC1 ZINC000546035259 325261809 /nfs/dbraw/zinc/26/18/09/325261809.db2.gz CRKMYCQXGRNXJQ-UHFFFAOYSA-N -1 3 247.306 0.790 20 0 BCADHM CCS(=O)(=O)[N-]Cc1nc([C@@H]2C[C@@H]2C)no1 ZINC000547188705 325331356 /nfs/dbraw/zinc/33/13/56/325331356.db2.gz ZAXOSDILXXWLIY-NKWVEPMBSA-N -1 3 245.304 0.632 20 0 BCADHM CN(CC1CC1)S(=O)(=O)[N-]c1cncnc1 ZINC000547335874 325343851 /nfs/dbraw/zinc/34/38/51/325343851.db2.gz WZUWBJHINFIAHI-UHFFFAOYSA-N -1 3 242.304 0.475 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccoc1 ZINC000547471507 325359770 /nfs/dbraw/zinc/35/97/70/325359770.db2.gz DECULKDHAKVGTO-JTQLQIEISA-N -1 3 249.270 0.450 20 0 BCADHM Cc1cc(CCN=c2ncnc3[nH][n-]cc2-3)on1 ZINC000551924496 325574794 /nfs/dbraw/zinc/57/47/94/325574794.db2.gz MWXNUOGWQONBPT-UHFFFAOYSA-N -1 3 244.258 0.677 20 0 BCADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCO1 ZINC000553222021 325681872 /nfs/dbraw/zinc/68/18/72/325681872.db2.gz YTCPKAHDXROKRV-UHFFFAOYSA-N -1 3 235.243 0.837 20 0 BCADHM CN(c1nc2[nH][n-]cc-2c(=N)n1)[C@@H]1CCCOC1 ZINC000553262033 325684029 /nfs/dbraw/zinc/68/40/29/325684029.db2.gz FKTYLAJGAMEAPC-SSDOTTSWSA-N -1 3 248.290 0.332 20 0 BCADHM O=C(c1csc(=O)[n-]1)N(CCO)CC1CC1 ZINC000566931508 326095516 /nfs/dbraw/zinc/09/55/16/326095516.db2.gz SNRPYGITLROCPX-UHFFFAOYSA-N -1 3 242.300 0.693 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CC12CC2)c1c[nH]cn1 ZINC000566962678 326097383 /nfs/dbraw/zinc/09/73/83/326097383.db2.gz PJQZEYAOSTUFIS-ZETCQYMHSA-N -1 3 227.289 0.488 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(C)C[C@H]1F ZINC000567493483 326203724 /nfs/dbraw/zinc/20/37/24/326203724.db2.gz CEVBRQQLROWBPT-SOCHQFKDSA-N -1 3 241.266 0.363 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@]1(C)C[C@@H]1F ZINC000567493482 326203751 /nfs/dbraw/zinc/20/37/51/326203751.db2.gz CEVBRQQLROWBPT-FYBVGQRMSA-N -1 3 241.266 0.363 20 0 BCADHM C[C@@H]1COC[C@@H](C)N1CC1(C(=O)[O-])CC1 ZINC000567509844 326207192 /nfs/dbraw/zinc/20/71/92/326207192.db2.gz NWIGWSSZMXSGDA-RKDXNWHRSA-N -1 3 213.277 0.960 20 0 BCADHM Cc1ccc(NC(=O)C2(NC(N)=O)CC2)c([O-])c1 ZINC000156790263 326242340 /nfs/dbraw/zinc/24/23/40/326242340.db2.gz NCIUXMVFZCLWPH-UHFFFAOYSA-N -1 3 249.270 0.840 20 0 BCADHM CCCNC(=O)CN1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000567858094 326272118 /nfs/dbraw/zinc/27/21/18/326272118.db2.gz VCMAQDHILLDMKD-VHSXEESVSA-N -1 3 242.319 0.555 20 0 BCADHM Cc1cc(C(=O)Nc2ncccc2[O-])[nH]c(=O)n1 ZINC000158605817 326332008 /nfs/dbraw/zinc/33/20/08/326332008.db2.gz MBWMWJBLHDWWPD-UHFFFAOYSA-N -1 3 246.226 0.844 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CCCCF)n1 ZINC000568505679 326360727 /nfs/dbraw/zinc/36/07/27/326360727.db2.gz IPBVAKIJZFRLBQ-UHFFFAOYSA-N -1 3 235.284 0.448 20 0 BCADHM Cc1ccc([O-])c(CN2CC(C)(C(N)=O)C2)n1 ZINC000568629352 326368888 /nfs/dbraw/zinc/36/88/88/326368888.db2.gz BMWMTWGBOLBZTC-UHFFFAOYSA-N -1 3 235.287 0.403 20 0 BCADHM C[C@@H](C(=O)[O-])C(=O)NCCN1CCCC[C@@H]1C ZINC000568882163 326380950 /nfs/dbraw/zinc/38/09/50/326380950.db2.gz ROZVPWAWRLCMQT-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM Cc1[nH]ncc1CNC(=O)c1cc(=O)n(C)[n-]1 ZINC000666032721 487989089 /nfs/dbraw/zinc/98/90/89/487989089.db2.gz BCFMWJIMMQEQBN-UHFFFAOYSA-N -1 3 235.247 0.087 20 0 BCADHM C[C@@H](CCO)NC(=O)Cc1cncc([O-])c1 ZINC000655393409 488003910 /nfs/dbraw/zinc/00/39/10/488003910.db2.gz QFLKZFHJNWKISA-QMMMGPOBSA-N -1 3 224.260 0.217 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](N)[C@@H](C)CC ZINC000044624896 488028679 /nfs/dbraw/zinc/02/86/79/488028679.db2.gz PNQGVNXAKLWQOT-YIZRAAEISA-N -1 3 230.308 0.681 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1coc(C)n1 ZINC000671870573 488028683 /nfs/dbraw/zinc/02/86/83/488028683.db2.gz BHDUCNWSMOKYEB-UHFFFAOYSA-N -1 3 221.220 0.847 20 0 BCADHM CC[C@@H](C)[C@H](N)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000040483205 488029724 /nfs/dbraw/zinc/02/97/24/488029724.db2.gz GHZGTTOHXXFUDH-KCJUWKMLSA-N -1 3 242.319 0.683 20 0 BCADHM CCC[C@](C)(N)C(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000044625429 488030103 /nfs/dbraw/zinc/03/01/03/488030103.db2.gz VRSQDDOIWMEDSZ-KCJUWKMLSA-N -1 3 230.308 0.826 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1CCC1 ZINC000673546026 488070558 /nfs/dbraw/zinc/07/05/58/488070558.db2.gz RIWRKNGADMZFJQ-UHFFFAOYSA-N -1 3 223.276 0.559 20 0 BCADHM O=C([N-]c1nccs1)c1cc(CO)on1 ZINC000673921371 487478813 /nfs/dbraw/zinc/47/88/13/487478813.db2.gz XGTAWWWAPZAHKT-UHFFFAOYSA-N -1 3 225.229 0.876 20 0 BCADHM CCN1CCN(C(=O)c2cncc([O-])c2)C[C@@H]1C ZINC000111740198 487499914 /nfs/dbraw/zinc/49/99/14/487499914.db2.gz HNXNRZJRLGJGPU-JTQLQIEISA-N -1 3 249.314 0.953 20 0 BCADHM CCN(CCNC(=O)C(C)(C)C(=O)[O-])C1CC1 ZINC000220365071 487500886 /nfs/dbraw/zinc/50/08/86/487500886.db2.gz DRGIALPQUBYTQM-UHFFFAOYSA-N -1 3 242.319 0.698 20 0 BCADHM C[C@H](O)[C@H]1CCN(Cc2ncccc2[O-])C1 ZINC000685427005 487520997 /nfs/dbraw/zinc/52/09/97/487520997.db2.gz ZXMKCZIFYUDBGX-UWVGGRQHSA-N -1 3 222.288 0.990 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCN(C(C)(C)CO)CC1 ZINC000682853852 488054107 /nfs/dbraw/zinc/05/41/07/488054107.db2.gz XRMBOMPOFPDDSM-SNVBAGLBSA-N -1 3 244.335 0.238 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1ccccn1)C(C)(C)O ZINC000677513124 488061373 /nfs/dbraw/zinc/06/13/73/488061373.db2.gz UWMNWQMZXISWIL-MRVPVSSYSA-N -1 3 244.316 0.519 20 0 BCADHM CO[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000680391134 488159956 /nfs/dbraw/zinc/15/99/56/488159956.db2.gz UFXZARQSWSBCCF-VIFPVBQESA-N -1 3 240.307 0.109 20 0 BCADHM CC(C)(C(N)=O)C(=O)Nc1ccccc1[O-] ZINC000683471206 488169787 /nfs/dbraw/zinc/16/97/87/488169787.db2.gz BSBABXASGCMEFO-UHFFFAOYSA-N -1 3 222.244 0.842 20 0 BCADHM C[C@@H]1COCCN1C(=O)c1cccc2[n-]nnc21 ZINC000683515520 488182379 /nfs/dbraw/zinc/18/23/79/488182379.db2.gz YBVUKTYNZNALSC-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM C[C@@H]1COCCN1C(=O)c1cccc2nn[n-]c21 ZINC000683515520 488182383 /nfs/dbraw/zinc/18/23/83/488182383.db2.gz YBVUKTYNZNALSC-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM C[C@@H]1COCCN1C(=O)c1cccc2n[n-]nc21 ZINC000683515520 488182385 /nfs/dbraw/zinc/18/23/85/488182385.db2.gz YBVUKTYNZNALSC-MRVPVSSYSA-N -1 3 246.270 0.819 20 0 BCADHM CO[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C12CCC2 ZINC000308424605 488203269 /nfs/dbraw/zinc/20/32/69/488203269.db2.gz QZEUNHIOTZGSCB-YUMQZZPRSA-N -1 3 238.291 0.145 20 0 BCADHM CO[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2 ZINC000308424602 488203424 /nfs/dbraw/zinc/20/34/24/488203424.db2.gz QZEUNHIOTZGSCB-HTQZYQBOSA-N -1 3 238.291 0.145 20 0 BCADHM CCc1nocc1C(=O)[N-]c1n[nH]c(C)n1 ZINC000668210279 488225772 /nfs/dbraw/zinc/22/57/72/488225772.db2.gz YSGRXAZIBAEUGU-UHFFFAOYSA-N -1 3 221.220 0.916 20 0 BCADHM O=C([N-]c1nncn1C1CC1)c1cocn1 ZINC000671868886 488231705 /nfs/dbraw/zinc/23/17/05/488231705.db2.gz CKBHHEHPIZTUEA-UHFFFAOYSA-N -1 3 219.204 0.853 20 0 BCADHM CN(C)c1n[nH]c(NC(=O)c2cccc([O-])c2)n1 ZINC000672117958 488237276 /nfs/dbraw/zinc/23/72/76/488237276.db2.gz HSTUGMPQRJGFEA-UHFFFAOYSA-N -1 3 247.258 0.829 20 0 BCADHM CN(C)c1n[nH]c([N-]C(=O)c2nccs2)n1 ZINC000672118556 488237375 /nfs/dbraw/zinc/23/73/75/488237375.db2.gz PXHREAVKEKLBCE-UHFFFAOYSA-N -1 3 238.276 0.580 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H](C)[C@H](O)C2)n1 ZINC000684094431 488265934 /nfs/dbraw/zinc/26/59/34/488265934.db2.gz QJRUHZGWCSIFSD-UJNFCWOMSA-N -1 3 237.303 0.864 20 0 BCADHM Cc1cccc([O-])c1NC(=O)Cn1cncn1 ZINC000679320496 488334919 /nfs/dbraw/zinc/33/49/19/488334919.db2.gz OAUKSADOYPREHV-UHFFFAOYSA-N -1 3 232.243 0.931 20 0 BCADHM Cn1cccc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673545099 488295286 /nfs/dbraw/zinc/29/52/86/488295286.db2.gz VMMWAQXSYLKCJU-UHFFFAOYSA-N -1 3 248.286 0.411 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccco1 ZINC000673544894 488295480 /nfs/dbraw/zinc/29/54/80/488295480.db2.gz KRHPZPQINMEACF-UHFFFAOYSA-N -1 3 235.243 0.666 20 0 BCADHM CN(C)c1cnc(C(=O)[N-]c2cnoc2)cn1 ZINC000679444483 488352000 /nfs/dbraw/zinc/35/20/00/488352000.db2.gz XNLDXRDYYKOFBE-UHFFFAOYSA-N -1 3 233.231 0.783 20 0 BCADHM COc1cccc(CCNC(=O)c2c[n-]nn2)c1 ZINC000194189000 490146911 /nfs/dbraw/zinc/14/69/11/490146911.db2.gz AQMNQUZFTWBSEA-UHFFFAOYSA-N -1 3 246.270 0.786 20 0 BCADHM COc1cccc(CCNC(=O)c2cnn[n-]2)c1 ZINC000194189000 490146917 /nfs/dbraw/zinc/14/69/17/490146917.db2.gz AQMNQUZFTWBSEA-UHFFFAOYSA-N -1 3 246.270 0.786 20 0 BCADHM COc1cccc(CCNC(=O)c2cn[n-]n2)c1 ZINC000194189000 490146923 /nfs/dbraw/zinc/14/69/23/490146923.db2.gz AQMNQUZFTWBSEA-UHFFFAOYSA-N -1 3 246.270 0.786 20 0 BCADHM CO[C@H](C)[C@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626619064 490202358 /nfs/dbraw/zinc/20/23/58/490202358.db2.gz YTSBSEFQAOGYNB-NKWVEPMBSA-N -1 3 225.248 0.335 20 0 BCADHM CC(C)CCN(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000056150953 490265451 /nfs/dbraw/zinc/26/54/51/490265451.db2.gz MYXYGGUBJUNUQQ-QMMMGPOBSA-N -1 3 241.291 0.089 20 0 BCADHM COCCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000073138172 490422616 /nfs/dbraw/zinc/42/26/16/490422616.db2.gz MKDZEEWYNVGRIJ-UHFFFAOYSA-N -1 3 234.259 0.724 20 0 BCADHM Cc1ccc(C(=O)NCCn2ccnn2)c([O-])c1 ZINC000136340397 491056170 /nfs/dbraw/zinc/05/61/70/491056170.db2.gz BAPJJPGRAYSTDH-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@H]1CCCCN1 ZINC000044624663 491074139 /nfs/dbraw/zinc/07/41/39/491074139.db2.gz GIULFCQIILQJBW-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM COC(=O)N(C)CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000496168065 533848744 /nfs/dbraw/zinc/84/87/44/533848744.db2.gz GYDFOERXFCYQAJ-LURJTMIESA-N -1 3 245.304 0.292 20 0 BCADHM CCN(CC)CCS(=O)(=O)[N-]CC(F)F ZINC000352258446 535563478 /nfs/dbraw/zinc/56/34/78/535563478.db2.gz XBWQEHAZYYWSQM-UHFFFAOYSA-N -1 3 244.307 0.513 20 0 BCADHM CCn1nnnc1[N-]C(=O)C1=CCCC1 ZINC000891338478 582666189 /nfs/dbraw/zinc/66/61/89/582666189.db2.gz BLBPIKJNVHUNTP-UHFFFAOYSA-N -1 3 207.237 0.742 20 0 BCADHM C[C@@H](CO)NC(=O)/C=C/c1cncc([O-])c1 ZINC000492521767 534131511 /nfs/dbraw/zinc/13/15/11/534131511.db2.gz RGIUTMPFWVANDK-SGJFDWMWSA-N -1 3 222.244 0.297 20 0 BCADHM C[C@@H](CO)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492521766 534131544 /nfs/dbraw/zinc/13/15/44/534131544.db2.gz RGIUTMPFWVANDK-KZUAUGPASA-N -1 3 222.244 0.297 20 0 BCADHM COCCN(CCO)Cc1ccc([O-])c(F)c1 ZINC000891912554 582736910 /nfs/dbraw/zinc/73/69/10/582736910.db2.gz FOIHVALHTKYMEC-UHFFFAOYSA-N -1 3 243.278 0.972 20 0 BCADHM Cc1nn(C)cc1C=Cc1nccc(=O)[n-]1 ZINC000121279572 582756876 /nfs/dbraw/zinc/75/68/76/582756876.db2.gz MXCZINZUXVNLLP-ONEGZZNKSA-N -1 3 216.244 0.982 20 0 BCADHM NC(=O)[N-]C(=O)OCCCSc1nc[nH]n1 ZINC000494153507 534387593 /nfs/dbraw/zinc/38/75/93/534387593.db2.gz FDNHFIATQKQQJQ-UHFFFAOYSA-N -1 3 245.264 0.092 20 0 BCADHM CC(=O)C1(C(=O)NCc2ncccc2[O-])CC1 ZINC000352209865 534717223 /nfs/dbraw/zinc/71/72/23/534717223.db2.gz DBDLHOYBRYKSJB-UHFFFAOYSA-N -1 3 234.255 0.773 20 0 BCADHM Cn1ccc(/C=C\C(=O)[N-]OCCCO)c1 ZINC000493469549 534765967 /nfs/dbraw/zinc/76/59/67/534765967.db2.gz XCORDJXWGZGXCB-ARJAWSKDSA-N -1 3 224.260 0.469 20 0 BCADHM O=C(/C=C\c1ccc[nH]1)[N-]OCCCO ZINC000493703555 534796119 /nfs/dbraw/zinc/79/61/19/534796119.db2.gz FUHZAJBKMQDBBG-PLNGDYQASA-N -1 3 210.233 0.458 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]OCC1CC1 ZINC000492900890 534802185 /nfs/dbraw/zinc/80/21/85/534802185.db2.gz PUUAEXGRRXFREE-ARJAWSKDSA-N -1 3 207.233 0.881 20 0 BCADHM Cc1cccnc1/C=C\C(=O)[N-]OCCCO ZINC000493694495 534844680 /nfs/dbraw/zinc/84/46/80/534844680.db2.gz RYYCMUDGNFZFMU-WAYWQWQTSA-N -1 3 236.271 0.833 20 0 BCADHM CN1CN(C(=O)c2ccccc2[O-])CC1=O ZINC000335719532 536483969 /nfs/dbraw/zinc/48/39/69/536483969.db2.gz SYZAXGNTJBGXBM-UHFFFAOYSA-N -1 3 220.228 0.264 20 0 BCADHM CCO/C=C/C(=O)NCc1cnc(C)[n-]c1=O ZINC000493270350 528486505 /nfs/dbraw/zinc/48/65/05/528486505.db2.gz LCKNUTLDDBWBPK-SNAWJCMRSA-N -1 3 237.259 0.657 20 0 BCADHM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000305220365 528622641 /nfs/dbraw/zinc/62/26/41/528622641.db2.gz VHCTZXHOUANQJB-QMMMGPOBSA-N -1 3 247.320 0.095 20 0 BCADHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000305200934 529224802 /nfs/dbraw/zinc/22/48/02/529224802.db2.gz KUYCAXUGJGNMMZ-YUMQZZPRSA-N -1 3 247.320 0.095 20 0 BCADHM CC1CCN(S(=O)(=O)[N-]CC(F)F)CC1 ZINC000335685567 535282638 /nfs/dbraw/zinc/28/26/38/535282638.db2.gz VHFOYZVPRHPBFQ-UHFFFAOYSA-N -1 3 242.291 0.818 20 0 BCADHM CCCn1c(=O)[n-]nc1S[C@H](C)[C@@H](C)O ZINC000087140141 535580385 /nfs/dbraw/zinc/58/03/85/535580385.db2.gz CRTQVEVYNCXHJW-RNFRBKRXSA-N -1 3 231.321 0.843 20 0 BCADHM Cc1ccncc1/C=C\C(=O)[N-]OCCCO ZINC000493216422 566346567 /nfs/dbraw/zinc/34/65/67/566346567.db2.gz DYSGFPSNOVWSFX-ARJAWSKDSA-N -1 3 236.271 0.833 20 0 BCADHM O=c1cc(N(CCO)C2CCOCC2)nc[n-]1 ZINC000893379394 583132920 /nfs/dbraw/zinc/13/29/20/583132920.db2.gz QVRJPNMGMWOKJK-UHFFFAOYSA-N -1 3 239.275 0.160 20 0 BCADHM O=c1cc(NCCC2CS(=O)(=O)C2)nc[n-]1 ZINC000893413897 583140181 /nfs/dbraw/zinc/14/01/81/583140181.db2.gz ZLRYVWCRSAGDIY-UHFFFAOYSA-N -1 3 243.288 0.029 20 0 BCADHM Cc1nc(N2CC[C@](O)(C(F)F)C2)cc(=O)[n-]1 ZINC000894047885 583288021 /nfs/dbraw/zinc/28/80/21/583288021.db2.gz DQVPSUBKYGRHNH-SNVBAGLBSA-N -1 3 245.229 0.697 20 0 BCADHM CCCS(=O)(=O)[N-]CC(=O)OCC1CC1 ZINC000111337207 588744432 /nfs/dbraw/zinc/74/44/32/588744432.db2.gz SRNOFKWXWXJUHP-UHFFFAOYSA-N -1 3 235.305 0.269 20 0 BCADHM CO[C@@H](CO[N-]C(C)=O)[C@H]1CCOC1 ZINC000853660807 588753552 /nfs/dbraw/zinc/75/35/52/588753552.db2.gz FXSUDSCZCJJVEJ-IUCAKERBSA-N -1 3 203.238 0.106 20 0 BCADHM CCN1CC[C@H](O[N-]C(=O)C(C)(C)C)C1=O ZINC000853664006 588753887 /nfs/dbraw/zinc/75/38/87/588753887.db2.gz GVAZWUIHODRSIN-QMMMGPOBSA-N -1 3 228.292 0.701 20 0 BCADHM COC(OC)[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000853681529 588755657 /nfs/dbraw/zinc/75/56/57/588755657.db2.gz SALOWOLWDOUVJY-ZCFIWIBFSA-N -1 3 237.263 0.146 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3COC4(CCC4)C3)c1-2 ZINC000853826693 588765101 /nfs/dbraw/zinc/76/51/01/588765101.db2.gz WJUACCLDYWFCQK-QMMMGPOBSA-N -1 3 245.286 0.850 20 0 BCADHM C[C@@H]1CN(C(=O)c2cncc([O-])c2)CCN1C ZINC000111740193 588769461 /nfs/dbraw/zinc/76/94/61/588769461.db2.gz RMCTWZQLIUYNPA-SECBINFHSA-N -1 3 235.287 0.563 20 0 BCADHM CCC(F)(F)C(=O)[N-]CC(=O)N(C)C ZINC000854290061 588782807 /nfs/dbraw/zinc/78/28/07/588782807.db2.gz QYEJJMOPEJFHMT-UHFFFAOYSA-N -1 3 208.208 0.236 20 0 BCADHM CC[C@@](C)(CO)C(=O)[N-]OC1CCN(C)CC1 ZINC000854357554 588784730 /nfs/dbraw/zinc/78/47/30/588784730.db2.gz BLSFHMNXOWZFAH-LBPRGKRZSA-N -1 3 244.335 0.537 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@H](O)C(C)(C)C)CC1 ZINC000854357732 588784936 /nfs/dbraw/zinc/78/49/36/588784936.db2.gz KXRSTBXCXQVWCH-JTQLQIEISA-N -1 3 244.335 0.535 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@H](O)C2CCC2)CC1 ZINC000854358449 588785168 /nfs/dbraw/zinc/78/51/68/588785168.db2.gz WREAQIRCKKWQKP-LLVKDONJSA-N -1 3 242.319 0.289 20 0 BCADHM CCC1(O)CN(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000854381070 588785495 /nfs/dbraw/zinc/78/54/95/588785495.db2.gz YAJBPQVHWMHEGN-ARJAWSKDSA-N -1 3 248.282 0.784 20 0 BCADHM Cc1cc[nH]c1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854486264 588789253 /nfs/dbraw/zinc/78/92/53/588789253.db2.gz SDMBATCNKBIOKD-UHFFFAOYSA-N -1 3 248.286 0.709 20 0 BCADHM C[C@H]([N-]C(=O)C(F)F)c1nccc(N)n1 ZINC000854758844 588805974 /nfs/dbraw/zinc/80/59/74/588805974.db2.gz BCDIBNSMKDPBKM-BYPYZUCNSA-N -1 3 216.191 0.501 20 0 BCADHM CC1=NO[C@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000854801044 588810552 /nfs/dbraw/zinc/81/05/52/588810552.db2.gz QZKJZKQHADAANR-LURJTMIESA-N -1 3 241.272 0.743 20 0 BCADHM CC1=NO[C@H](CNC(=O)Cc2cncc([O-])c2)C1 ZINC000854802141 588810812 /nfs/dbraw/zinc/81/08/12/588810812.db2.gz HBCAYXAUOFXMAV-NSHDSACASA-N -1 3 249.270 0.611 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CCc1ccon1 ZINC000854829516 588812680 /nfs/dbraw/zinc/81/26/80/588812680.db2.gz DFEUMKGIANSNJX-SNVBAGLBSA-N -1 3 242.275 0.672 20 0 BCADHM CON1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000854858730 588814084 /nfs/dbraw/zinc/81/40/84/588814084.db2.gz NNOWGGGTYCHEKZ-UHFFFAOYSA-N -1 3 243.288 0.168 20 0 BCADHM CN(C)CCO[N-]C(=O)Cc1ccc(F)cn1 ZINC000854944941 588817580 /nfs/dbraw/zinc/81/75/80/588817580.db2.gz CMNKQTUGHPVLKF-UHFFFAOYSA-N -1 3 241.266 0.373 20 0 BCADHM C[C@H](C(=O)[N-]OCCN(C)C)c1ccccn1 ZINC000854945038 588817711 /nfs/dbraw/zinc/81/77/11/588817711.db2.gz HKFFLGAEXVNXTG-JTQLQIEISA-N -1 3 237.303 0.795 20 0 BCADHM CCn1cc(CC(=O)[N-]OCCN(C)C)cn1 ZINC000854945679 588818131 /nfs/dbraw/zinc/81/81/31/588818131.db2.gz XKIFPZOGXFESQV-UHFFFAOYSA-N -1 3 240.307 0.055 20 0 BCADHM Cc1ccc(C(=O)[N-]OCCN(C)C)c(=O)[nH]1 ZINC000854947286 588818181 /nfs/dbraw/zinc/81/81/81/588818181.db2.gz OHYOLHBMYKKPRE-UHFFFAOYSA-N -1 3 239.275 0.319 20 0 BCADHM CCOCCO[C@H](C)C(=O)[N-]OCCN(C)C ZINC000854947278 588818467 /nfs/dbraw/zinc/81/84/67/588818467.db2.gz NYNMKZFFXIXBCN-SNVBAGLBSA-N -1 3 248.323 0.037 20 0 BCADHM COC[C@@H](OC)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000854991588 588819682 /nfs/dbraw/zinc/81/96/82/588819682.db2.gz FYDANPWOVKIRPC-NKWVEPMBSA-N -1 3 232.305 0.255 20 0 BCADHM CC[C@H](C)OCC(=O)[N-]c1nnnn1CC ZINC000891340457 582666843 /nfs/dbraw/zinc/66/68/43/582666843.db2.gz PVNURYNSBZXYQX-ZETCQYMHSA-N -1 3 227.268 0.447 20 0 BCADHM CCn1nnnc1[N-]C(=O)CCc1cncnc1 ZINC000891339843 582666863 /nfs/dbraw/zinc/66/68/63/582666863.db2.gz GGLUQHYVVIIXMJ-UHFFFAOYSA-N -1 3 247.262 0.054 20 0 BCADHM CCn1nnnc1[N-]C(=O)/C=C/[C@H]1CCOC1 ZINC000891339506 582666867 /nfs/dbraw/zinc/66/68/67/582666867.db2.gz DUVZVQCQPTWGIF-RTMURIBGSA-N -1 3 237.263 0.224 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@H](C)C(C)(F)F ZINC000891340329 582666930 /nfs/dbraw/zinc/66/69/30/582666930.db2.gz PXBQPHBOLIOGRX-RXMQYKEDSA-N -1 3 233.222 0.923 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H]1CC12CCC2 ZINC000891339963 582667072 /nfs/dbraw/zinc/66/70/72/582667072.db2.gz MDOSKABBGIEHRP-SSDOTTSWSA-N -1 3 221.264 0.822 20 0 BCADHM CCn1nnnc1[N-]C(=O)CSC1CC1 ZINC000891340677 582667246 /nfs/dbraw/zinc/66/72/46/582667246.db2.gz RYUUSBRYCSWXOW-UHFFFAOYSA-N -1 3 227.293 0.527 20 0 BCADHM CCn1nnnc1[N-]C(=O)C1SCCS1 ZINC000891338854 582667276 /nfs/dbraw/zinc/66/72/76/582667276.db2.gz CKUXKNBOEJSUNO-UHFFFAOYSA-N -1 3 245.333 0.438 20 0 BCADHM O=C(C1CC1)N1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000891513306 582693885 /nfs/dbraw/zinc/69/38/85/582693885.db2.gz IDWNHSTZHLEBEJ-UHFFFAOYSA-N -1 3 248.286 0.241 20 0 BCADHM CN(C)C(=O)[C@@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000891619413 582702672 /nfs/dbraw/zinc/70/26/72/582702672.db2.gz OKBRUEDXATWZOC-QMMMGPOBSA-N -1 3 236.275 0.239 20 0 BCADHM Cc1nc(NCc2nnc3n2CCC3)cc(=O)[n-]1 ZINC000891655236 582706629 /nfs/dbraw/zinc/70/66/29/582706629.db2.gz FXXOCANGLTYDSO-UHFFFAOYSA-N -1 3 246.274 0.640 20 0 BCADHM COC(=O)[C@](C)(CCF)[N-]C(=O)C(F)F ZINC000855906497 588853152 /nfs/dbraw/zinc/85/31/52/588853152.db2.gz BCPQYJXBZDJHFM-QMMMGPOBSA-N -1 3 227.182 0.659 20 0 BCADHM COCCO[N-]C(=O)CCc1c(C)noc1C ZINC000135144805 582871661 /nfs/dbraw/zinc/87/16/61/582871661.db2.gz NWFYGCBIJDBCFT-UHFFFAOYSA-N -1 3 242.275 0.918 20 0 BCADHM Cc1nc(N(C)Cc2ncc[nH]2)cc(=O)[n-]1 ZINC000892558663 582913760 /nfs/dbraw/zinc/91/37/60/582913760.db2.gz AFKNDQKFDXLONK-UHFFFAOYSA-N -1 3 219.248 0.850 20 0 BCADHM C[C@H](NC(=O)c1ccc2n[n-]nc2c1)C(C)(C)O ZINC000394003963 582939327 /nfs/dbraw/zinc/93/93/27/582939327.db2.gz JXRGZWHEQPGGNI-ZETCQYMHSA-N -1 3 248.286 0.847 20 0 BCADHM Cc1nc(N2CC[C@H](N3CC=CC3)C2)cc(=O)[n-]1 ZINC000892678817 582951342 /nfs/dbraw/zinc/95/13/42/582951342.db2.gz HWNDGIGAAAYXCB-NSHDSACASA-N -1 3 246.314 0.941 20 0 BCADHM COCCOC[C@@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000892678063 582951389 /nfs/dbraw/zinc/95/13/89/582951389.db2.gz WWWKXTHELJZJES-MRVPVSSYSA-N -1 3 241.291 0.954 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H](O)c1cccnc1 ZINC000783646527 582960668 /nfs/dbraw/zinc/96/06/68/582960668.db2.gz YRFTXVFTPXKECX-JTQLQIEISA-N -1 3 245.238 0.854 20 0 BCADHM Cc1nc2n(n1)CCN(c1cc(=O)[n-]cn1)C2 ZINC000892786254 582983037 /nfs/dbraw/zinc/98/30/37/582983037.db2.gz QDQUOKNGUDNSRS-UHFFFAOYSA-N -1 3 232.247 0.102 20 0 BCADHM CCOC(=O)[C@H](C)N(C)c1cc(=O)[n-]c(C)n1 ZINC000892923303 583010028 /nfs/dbraw/zinc/01/00/28/583010028.db2.gz XTSGKSNUJAZURZ-ZETCQYMHSA-N -1 3 239.275 0.878 20 0 BCADHM C[C@@H]1CN(c2cc(=O)[n-]cn2)[C@@H](C)CN1C ZINC000893080854 583044732 /nfs/dbraw/zinc/04/47/32/583044732.db2.gz STUWTKYIXXNRNK-BDAKNGLRSA-N -1 3 222.292 0.711 20 0 BCADHM CCO[C@H]1COCC[C@@H]1Nc1cc(=O)[n-]cn1 ZINC000893169074 583063060 /nfs/dbraw/zinc/06/30/60/583063060.db2.gz WVJIMZVTXVCVRG-IUCAKERBSA-N -1 3 239.275 0.788 20 0 BCADHM CN(C)CCO[N-]C(=O)C1=NC(=O)SC1 ZINC000854945780 583095873 /nfs/dbraw/zinc/09/58/73/583095873.db2.gz PKQWYKUMKRHWIO-UHFFFAOYSA-N -1 3 231.277 0.072 20 0 BCADHM CCNC(=O)CCC(=O)[N-]OCC1CCC1 ZINC000856347408 588868962 /nfs/dbraw/zinc/86/89/62/588868962.db2.gz QIHZGZCVDRKNOW-UHFFFAOYSA-N -1 3 228.292 0.751 20 0 BCADHM O=C(CCCn1cncn1)[N-]OCC1CCC1 ZINC000856350084 588869599 /nfs/dbraw/zinc/86/95/99/588869599.db2.gz YAOMJUFXAVGBAB-UHFFFAOYSA-N -1 3 238.291 0.906 20 0 BCADHM O=c1cc(N[C@@H](CO)C2CCOCC2)nc[n-]1 ZINC000893642237 583184136 /nfs/dbraw/zinc/18/41/36/583184136.db2.gz NAQAZDNXOWDVFK-VIFPVBQESA-N -1 3 239.275 0.382 20 0 BCADHM Cc1nc(N2CCO[C@@H](C(F)F)C2)cc(=O)[n-]1 ZINC000893709644 583208705 /nfs/dbraw/zinc/20/87/05/583208705.db2.gz WREJYDDCMKCUOO-SSDOTTSWSA-N -1 3 245.229 0.961 20 0 BCADHM O=c1cc(N2CCO[C@@H](C(F)F)C2)nc[n-]1 ZINC000893709417 583208873 /nfs/dbraw/zinc/20/88/73/583208873.db2.gz VQEAUKHTOSIMIM-ZCFIWIBFSA-N -1 3 231.202 0.653 20 0 BCADHM CCn1ncc(CNC2(C(=O)[O-])CCCC2)n1 ZINC000857084007 588886615 /nfs/dbraw/zinc/88/66/15/588886615.db2.gz LHQZKUOSUNLZCS-UHFFFAOYSA-N -1 3 238.291 0.785 20 0 BCADHM COCc1nc(N2CC[C@H](F)C2)cc(=O)[n-]1 ZINC000894022722 583274251 /nfs/dbraw/zinc/27/42/51/583274251.db2.gz BOXLDZDWHYVLKU-ZETCQYMHSA-N -1 3 227.239 0.877 20 0 BCADHM O=c1cc(NCc2nnc(C3CC3)[nH]2)nc[n-]1 ZINC000894030305 583282802 /nfs/dbraw/zinc/28/28/02/583282802.db2.gz QFVDNKCMVIMTND-UHFFFAOYSA-N -1 3 232.247 0.790 20 0 BCADHM CO[C@@H]1CCN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000857145159 588890910 /nfs/dbraw/zinc/89/09/10/588890910.db2.gz BFGVVLSSIYDYAR-MRVPVSSYSA-N -1 3 240.234 0.787 20 0 BCADHM C[C@]1(C(=O)[N-]OCC(N)=O)CC=CCC1 ZINC000857168866 588891321 /nfs/dbraw/zinc/89/13/21/588891321.db2.gz HDIKVBDLYDHEDB-JTQLQIEISA-N -1 3 212.249 0.266 20 0 BCADHM Cn1nccc1[C@H](CO)Nc1cc(=O)[n-]cn1 ZINC000894162326 583321983 /nfs/dbraw/zinc/32/19/83/583321983.db2.gz PZKICIOTBNLORG-ZETCQYMHSA-N -1 3 235.247 0.061 20 0 BCADHM CO[N-]C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878113700 583362183 /nfs/dbraw/zinc/36/21/83/583362183.db2.gz LJTLZWCTUMBFHG-MUWHJKNJSA-N -1 3 209.249 0.753 20 0 BCADHM C[C@H]1[C@H](CO)CCCN1c1cc(=O)[n-]cn1 ZINC000894219821 583381157 /nfs/dbraw/zinc/38/11/57/583381157.db2.gz IBZFWXSEVOVRIJ-IUCAKERBSA-N -1 3 223.276 0.779 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCc1cncs1 ZINC000857283239 588902619 /nfs/dbraw/zinc/90/26/19/588902619.db2.gz BIJMDKUHJASAON-UHFFFAOYSA-N -1 3 244.316 0.894 20 0 BCADHM CO[C@@H](C)CCC(=O)[N-]OC(C)(C)CO ZINC000857284581 588902818 /nfs/dbraw/zinc/90/28/18/588902818.db2.gz MZTXMUITZADNGX-QMMMGPOBSA-N -1 3 219.281 0.620 20 0 BCADHM Cn1cncc1CCC(=O)[N-]OC(C)(C)CO ZINC000857284425 588902869 /nfs/dbraw/zinc/90/28/69/588902869.db2.gz KWDMSBLAPXOMAQ-UHFFFAOYSA-N -1 3 241.291 0.171 20 0 BCADHM COC(=O)CCCC(=O)[N-]OC(C)(C)CO ZINC000857284307 588903095 /nfs/dbraw/zinc/90/30/95/588903095.db2.gz GCQKAWYLDGDCHL-UHFFFAOYSA-N -1 3 233.264 0.148 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC000857284223 588903175 /nfs/dbraw/zinc/90/31/75/588903175.db2.gz BVNBNLQHPOEJLJ-KWQFWETISA-N -1 3 229.276 0.232 20 0 BCADHM CO[C@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000879319892 583423448 /nfs/dbraw/zinc/42/34/48/583423448.db2.gz CJCSWLQTATVMSF-IUCAKERBSA-N -1 3 240.307 0.108 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC000857284327 588903229 /nfs/dbraw/zinc/90/32/29/588903229.db2.gz GYJGVLPMMKPGKA-WDSKDSINSA-N -1 3 223.219 0.706 20 0 BCADHM COCCCCC(=O)[N-]OC(C)(C)CO ZINC000857284741 588903619 /nfs/dbraw/zinc/90/36/19/588903619.db2.gz HRTDFBVFMWNHDJ-UHFFFAOYSA-N -1 3 219.281 0.622 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1CCSC1 ZINC000857284859 588903722 /nfs/dbraw/zinc/90/37/22/588903722.db2.gz VBKZOWAIPGUMII-ZETCQYMHSA-N -1 3 219.306 0.558 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)c1ccncc1F ZINC000857286363 588904073 /nfs/dbraw/zinc/90/40/73/588904073.db2.gz ZAGSGMHESWNJLY-SNVBAGLBSA-N -1 3 242.250 0.899 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C[C@@H]1CCOC1 ZINC000857286397 588904114 /nfs/dbraw/zinc/90/41/14/588904114.db2.gz ZVLFHLZGQANNRM-UWVGGRQHSA-N -1 3 231.292 0.478 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CC1CCOCC1 ZINC000857286301 588904248 /nfs/dbraw/zinc/90/42/48/588904248.db2.gz XNSBBWFXSLMFOX-NSHDSACASA-N -1 3 245.319 0.868 20 0 BCADHM O=C(NCCN1CCNC1=O)c1ccccc1[O-] ZINC000894589936 583487792 /nfs/dbraw/zinc/48/77/92/583487792.db2.gz MHPXFGYYPSWKSF-UHFFFAOYSA-N -1 3 249.270 0.147 20 0 BCADHM O=c1cc(NC[C@@H](O)[C@H]2CCCO2)nc[n-]1 ZINC000894726839 583513853 /nfs/dbraw/zinc/51/38/53/583513853.db2.gz WKHAUZOTMPGQLJ-HTQZYQBOSA-N -1 3 225.248 0.134 20 0 BCADHM Cc1nc(N(C)[C@H]2C[C@@H](C(N)=O)C2)cc(=O)[n-]1 ZINC000894781833 583520383 /nfs/dbraw/zinc/52/03/83/583520383.db2.gz GUNAOVAIHMVISL-OCAPTIKFSA-N -1 3 236.275 0.191 20 0 BCADHM Cc1nc(N2C[C@@H]3COC(=O)[C@@H]3C2)cc(=O)[n-]1 ZINC000894825597 583526739 /nfs/dbraw/zinc/52/67/39/583526739.db2.gz NUHHKJPMQLKVQO-HTQZYQBOSA-N -1 3 235.243 0.100 20 0 BCADHM CC1(C)C[C@H](O)CN(c2cc(=O)[n-]cn2)C1 ZINC000895031684 583571004 /nfs/dbraw/zinc/57/10/04/583571004.db2.gz MTLXDOVKUKOPHG-QMMMGPOBSA-N -1 3 223.276 0.779 20 0 BCADHM CC1(C(N)=O)CN(Cc2ccc([O-])c(F)c2)C1 ZINC000895088988 583585715 /nfs/dbraw/zinc/58/57/15/583585715.db2.gz UHWIORZLBJGHBU-UHFFFAOYSA-N -1 3 238.262 0.839 20 0 BCADHM CCO[N-]C(=O)CNCc1cnc(F)c(C)c1 ZINC000895174916 583615176 /nfs/dbraw/zinc/61/51/76/583615176.db2.gz IHMUWPSNHJHHBG-UHFFFAOYSA-N -1 3 241.266 0.686 20 0 BCADHM CCO[N-]C(=O)CNCc1cn(CC)nc1C ZINC000895175291 583615313 /nfs/dbraw/zinc/61/53/13/583615313.db2.gz KKDULVRWFNPWKM-UHFFFAOYSA-N -1 3 240.307 0.369 20 0 BCADHM Cc1nc([C@@H]2CCN(c3cc(=O)[n-]cn3)C2)no1 ZINC000895396918 583664594 /nfs/dbraw/zinc/66/45/94/583664594.db2.gz LBBWYFSZPXLKFN-MRVPVSSYSA-N -1 3 247.258 0.868 20 0 BCADHM [O-]c1cc(Cl)cc(CN(CCO)CCO)c1 ZINC000895541724 583688623 /nfs/dbraw/zinc/68/86/23/583688623.db2.gz XMMCMHFNSDMAHD-UHFFFAOYSA-N -1 3 245.706 0.832 20 0 BCADHM Cc1n[n-]nc1C(=O)N1CCc2nc(F)ccc21 ZINC000857893871 588921765 /nfs/dbraw/zinc/92/17/65/588921765.db2.gz OWIVWBUHQQHUDB-UHFFFAOYSA-N -1 3 247.233 0.850 20 0 BCADHM [O-]c1cc(Cl)cc(CN[C@H]2COC[C@H]2O)c1 ZINC000895699920 583709912 /nfs/dbraw/zinc/70/99/12/583709912.db2.gz MNCZUFRGNFAFQU-WDEREUQCSA-N -1 3 243.690 0.895 20 0 BCADHM COC(C)(C)[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000895784351 583727197 /nfs/dbraw/zinc/72/71/97/583727197.db2.gz ZMRULNGWGFMBOR-ZETCQYMHSA-N -1 3 235.291 0.952 20 0 BCADHM O=C(NCc1cncc([O-])c1)N1CC[C@@H]1CO ZINC000896757112 583829810 /nfs/dbraw/zinc/82/98/10/583829810.db2.gz XJDKXWLGGVMMIG-SECBINFHSA-N -1 3 237.259 0.063 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)N[N-]C(=O)c1ccoc1 ZINC000142995434 583839919 /nfs/dbraw/zinc/83/99/19/583839919.db2.gz PMCVNSLFEHGHJH-SVRRBLITSA-N -1 3 208.217 0.697 20 0 BCADHM Cc1cncn1CC(=O)[N-]C1=NCCS1 ZINC000858170889 588936696 /nfs/dbraw/zinc/93/66/96/588936696.db2.gz PRAQSORRGJSNFH-UHFFFAOYSA-N -1 3 224.289 0.411 20 0 BCADHM COC1CC(C(=O)[N-]C2=NCCS2)C1 ZINC000858169861 588936814 /nfs/dbraw/zinc/93/68/14/588936814.db2.gz FTBYYYUYPIDOFM-UHFFFAOYSA-N -1 3 214.290 0.630 20 0 BCADHM CO[N-]C(=O)CN[C@H]1CCc2cccnc21 ZINC000896924852 583857583 /nfs/dbraw/zinc/85/75/83/583857583.db2.gz PMJAITQOELGEIB-VIFPVBQESA-N -1 3 221.260 0.336 20 0 BCADHM CCCSC[C@H](C)NCC(=O)[N-]OC ZINC000896923724 583858580 /nfs/dbraw/zinc/85/85/80/583858580.db2.gz GZRRENKUEBRNKR-QMMMGPOBSA-N -1 3 220.338 0.785 20 0 BCADHM CCO[N-]C(=O)CNCc1ccnc(F)c1 ZINC000858183304 588937603 /nfs/dbraw/zinc/93/76/03/588937603.db2.gz BKHVGQMEASOJJM-UHFFFAOYSA-N -1 3 227.239 0.378 20 0 BCADHM O=c1cc(N2CCC[C@@H]2C2OCCO2)nc[n-]1 ZINC000897003893 583869065 /nfs/dbraw/zinc/86/90/65/583869065.db2.gz JNMKKIOQOCKENW-MRVPVSSYSA-N -1 3 237.259 0.524 20 0 BCADHM Cc1cnc(F)cc1C(=O)[N-]N1CCCC1=O ZINC000897289988 583910872 /nfs/dbraw/zinc/91/08/72/583910872.db2.gz QPDIXAJTYLDZBH-UHFFFAOYSA-N -1 3 237.234 0.796 20 0 BCADHM CC[C@@H](O)CN1CCC[C@H](NC(=O)[O-])C1 ZINC000737787117 583920216 /nfs/dbraw/zinc/92/02/16/583920216.db2.gz RCLDELZORMJFLM-DTWKUNHWSA-N -1 3 216.281 0.489 20 0 BCADHM CN1CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858307088 588943880 /nfs/dbraw/zinc/94/38/80/588943880.db2.gz ANVVWUUMSBVLOX-UHFFFAOYSA-N -1 3 228.683 0.587 20 0 BCADHM CC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888116680 583966773 /nfs/dbraw/zinc/96/67/73/583966773.db2.gz QUMSWIKVSOVFQT-UHFFFAOYSA-N -1 3 211.221 0.933 20 0 BCADHM CC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888116680 583966774 /nfs/dbraw/zinc/96/67/74/583966774.db2.gz QUMSWIKVSOVFQT-UHFFFAOYSA-N -1 3 211.221 0.933 20 0 BCADHM Cc1cc(C(=O)[N-]N2CCOC2=O)cnc1F ZINC000862704688 583967553 /nfs/dbraw/zinc/96/75/53/583967553.db2.gz ADJSVJORPNEABB-UHFFFAOYSA-N -1 3 239.206 0.626 20 0 BCADHM NC(=O)COC(=O)c1ccc(Cl)cc1[O-] ZINC000007200027 583968223 /nfs/dbraw/zinc/96/82/23/583968223.db2.gz XUZZSLHPNNSCOR-UHFFFAOYSA-N -1 3 229.619 0.688 20 0 BCADHM COc1ccc(C(=O)[N-]c2nnn(C)n2)o1 ZINC000889625876 583969155 /nfs/dbraw/zinc/96/91/55/583969155.db2.gz RRYYHMHCAINOBD-UHFFFAOYSA-N -1 3 223.192 0.064 20 0 BCADHM CN1C[C@@H](Nc2cc(Cl)n[n-]c2=O)CC1=O ZINC000872438508 583971952 /nfs/dbraw/zinc/97/19/52/583971952.db2.gz AAHDYXOZUAXJEB-YFKPBYRVSA-N -1 3 242.666 0.478 20 0 BCADHM CS(C)(=O)=NS(=O)(=O)[N-]C1CC=CC1 ZINC000866958356 583972063 /nfs/dbraw/zinc/97/20/63/583972063.db2.gz QPXYRVOREKNASJ-UHFFFAOYSA-N -1 3 238.334 0.267 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@H]1CO ZINC000889159749 583983137 /nfs/dbraw/zinc/98/31/37/583983137.db2.gz NBYWZCOWLIBZIE-ZETCQYMHSA-N -1 3 226.207 0.133 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3COC[C@@H]3C3CC3)c1-2 ZINC000897445754 583984937 /nfs/dbraw/zinc/98/49/37/583984937.db2.gz NEXQCPQPBPBMOA-NXEZZACHSA-N -1 3 245.286 0.563 20 0 BCADHM CNC(=O)CCN1CCC(N(C)C(=O)[O-])CC1 ZINC000738014087 584017462 /nfs/dbraw/zinc/01/74/62/584017462.db2.gz KRCNUAMQWGQSRY-UHFFFAOYSA-N -1 3 243.307 0.197 20 0 BCADHM COC[C@](C)(N)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858412693 588952228 /nfs/dbraw/zinc/95/22/28/588952228.db2.gz ZBVVJOZQGLOOOW-SECBINFHSA-N -1 3 246.698 0.611 20 0 BCADHM COC[C@@](C)(N)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858412696 588952602 /nfs/dbraw/zinc/95/26/02/588952602.db2.gz ZBVVJOZQGLOOOW-VIFPVBQESA-N -1 3 246.698 0.611 20 0 BCADHM C[C@H]1CO[C@H](C(=O)[N-]OCCN(C)C)C1 ZINC000897875717 584056470 /nfs/dbraw/zinc/05/64/70/584056470.db2.gz IPCUVKCDUMUJQJ-BDAKNGLRSA-N -1 3 216.281 0.021 20 0 BCADHM O=c1[n-]c(CCCNc2ccnc(CO)c2)n[nH]1 ZINC000858431046 588954223 /nfs/dbraw/zinc/95/42/23/588954223.db2.gz NPJUTWHYKROGHC-UHFFFAOYSA-N -1 3 249.274 0.442 20 0 BCADHM COCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898213219 584092617 /nfs/dbraw/zinc/09/26/17/584092617.db2.gz SXTCIQUELJOXGB-MRVPVSSYSA-N -1 3 239.275 0.468 20 0 BCADHM O=C(C(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221265 584093563 /nfs/dbraw/zinc/09/35/63/584093563.db2.gz LTDMJUYTQSXGHG-RXMQYKEDSA-N -1 3 231.202 0.696 20 0 BCADHM COc1c(F)ccc(F)c1C(=O)[N-]OCCO ZINC000787286387 584117932 /nfs/dbraw/zinc/11/79/32/584117932.db2.gz FUEPFEIXIIUZJB-UHFFFAOYSA-N -1 3 247.197 0.627 20 0 BCADHM Cn1ncnc1COC(=O)c1ccc([O-])cc1 ZINC000787974197 584125235 /nfs/dbraw/zinc/12/52/35/584125235.db2.gz OCDHMTAMTGCBMI-UHFFFAOYSA-N -1 3 233.227 0.878 20 0 BCADHM C/C(=C\C(=O)NCCCc1c[n-][nH]c1=O)C1CC1 ZINC000898731228 584155618 /nfs/dbraw/zinc/15/56/18/584155618.db2.gz DUICLKAWSWJCIY-DJYGCBNOSA-N -1 3 249.314 0.971 20 0 BCADHM Cc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)o1 ZINC000898726445 584156082 /nfs/dbraw/zinc/15/60/82/584156082.db2.gz ZCZHQPVYNBMOLZ-VIFPVBQESA-N -1 3 249.270 0.830 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)c1cccnc1 ZINC000898728440 584156102 /nfs/dbraw/zinc/15/61/02/584156102.db2.gz KODPFMLEJTWFAQ-JTQLQIEISA-N -1 3 246.270 0.323 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)C1CCCC1 ZINC000898730196 584156146 /nfs/dbraw/zinc/15/61/46/584156146.db2.gz XLBMORVGNQKZQD-SNVBAGLBSA-N -1 3 237.303 0.805 20 0 BCADHM C/C(=C/C(=O)NCCCc1c[n-][nH]c1=O)C1CC1 ZINC000898731229 584156160 /nfs/dbraw/zinc/15/61/60/584156160.db2.gz DUICLKAWSWJCIY-DVBBHNHCSA-N -1 3 249.314 0.971 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1CC12CCC2 ZINC000898736904 584156649 /nfs/dbraw/zinc/15/66/49/584156649.db2.gz KUEXMKWWJYMGBC-UWVGGRQHSA-N -1 3 249.314 0.805 20 0 BCADHM C/C=C(/CC)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739032 584156933 /nfs/dbraw/zinc/15/69/33/584156933.db2.gz GKFJHZCVIKSPOC-KSXVILFYSA-N -1 3 237.303 0.971 20 0 BCADHM C/C=C(\CC)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739034 584157494 /nfs/dbraw/zinc/15/74/94/584157494.db2.gz GKFJHZCVIKSPOC-RZCNENHTSA-N -1 3 237.303 0.971 20 0 BCADHM CC1(C)CO[C@@H](CC(=O)[N-]OCCO)C1 ZINC000898939267 584167478 /nfs/dbraw/zinc/16/74/78/584167478.db2.gz MLGMMDAFYBGNBK-QMMMGPOBSA-N -1 3 217.265 0.232 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H](CO)c1cncn1C ZINC000898895214 584165012 /nfs/dbraw/zinc/16/50/12/584165012.db2.gz FVFJZQAQKJUKSW-ZETCQYMHSA-N -1 3 247.245 0.615 20 0 BCADHM CC(C)[C@@H](F)C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O ZINC000899036924 584172714 /nfs/dbraw/zinc/17/27/14/584172714.db2.gz YLCMQQRGKBYHDH-NKWVEPMBSA-N -1 3 245.254 0.294 20 0 BCADHM C[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000899199644 584180706 /nfs/dbraw/zinc/18/07/06/584180706.db2.gz GNOSVHVHMOMXGX-ZETCQYMHSA-N -1 3 244.258 0.496 20 0 BCADHM C[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000899199644 584180708 /nfs/dbraw/zinc/18/07/08/584180708.db2.gz GNOSVHVHMOMXGX-ZETCQYMHSA-N -1 3 244.258 0.496 20 0 BCADHM C[C@H](O)Cn1[n-]cc2c(=O)ccc(F)c-2c1=O ZINC000899353382 584200415 /nfs/dbraw/zinc/20/04/15/584200415.db2.gz YODOZOJOKJZDTH-LURJTMIESA-N -1 3 238.218 0.622 20 0 BCADHM C[C@H](O)Cn1ncc2c([O-])ccc(F)c2c1=O ZINC000899353382 584200417 /nfs/dbraw/zinc/20/04/17/584200417.db2.gz YODOZOJOKJZDTH-LURJTMIESA-N -1 3 238.218 0.622 20 0 BCADHM CC[C@@H](O)Cn1[n-]cc2c(=O)cccc-2c1=O ZINC000899355262 584201454 /nfs/dbraw/zinc/20/14/54/584201454.db2.gz PEDORLWSWPYFMK-MRVPVSSYSA-N -1 3 234.255 0.873 20 0 BCADHM CC[C@@H](O)Cn1ncc2c([O-])cccc2c1=O ZINC000899355262 584201457 /nfs/dbraw/zinc/20/14/57/584201457.db2.gz PEDORLWSWPYFMK-MRVPVSSYSA-N -1 3 234.255 0.873 20 0 BCADHM COCCn1[n-]cc2c(=O)ccc(F)c-2c1=O ZINC000899348963 584202218 /nfs/dbraw/zinc/20/22/18/584202218.db2.gz QMCUNFFSFRMPDY-UHFFFAOYSA-N -1 3 238.218 0.888 20 0 BCADHM COCCn1ncc2c([O-])ccc(F)c2c1=O ZINC000899348963 584202219 /nfs/dbraw/zinc/20/22/19/584202219.db2.gz QMCUNFFSFRMPDY-UHFFFAOYSA-N -1 3 238.218 0.888 20 0 BCADHM CN(CCCF)C(=O)c1cc(=O)[n-]cn1 ZINC000899815476 584239648 /nfs/dbraw/zinc/23/96/48/584239648.db2.gz ULXBPGXAQZVKJX-UHFFFAOYSA-N -1 3 213.212 0.614 20 0 BCADHM O=C(NC1CC1)c1cccc([N-]c2nn[nH]n2)c1 ZINC000899927720 584255554 /nfs/dbraw/zinc/25/55/54/584255554.db2.gz RUOJPOYEJANXCG-UHFFFAOYSA-N -1 3 244.258 0.836 20 0 BCADHM Cc1ccc(NC(=O)[C@@H](O)C(C)(C)O)c([O-])c1 ZINC000899942176 584258300 /nfs/dbraw/zinc/25/83/00/584258300.db2.gz OSJHABKBUGHXCF-SNVBAGLBSA-N -1 3 239.271 0.771 20 0 BCADHM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C(N)=O)c([O-])c1 ZINC000899941193 584259100 /nfs/dbraw/zinc/25/91/00/584259100.db2.gz AZCZAULEZFYJTA-JGVFFNPUSA-N -1 3 234.255 0.761 20 0 BCADHM CC(C)[C@@H]1NC(=O)N(Cc2cncc([O-])c2)C1=O ZINC000900128160 584280613 /nfs/dbraw/zinc/28/06/13/584280613.db2.gz ZYEOSUXSSBFEOO-JTQLQIEISA-N -1 3 249.270 0.864 20 0 BCADHM CC=C[C@@H](O)C(=O)Nc1nnc(SC)[n-]1 ZINC000900440443 584311155 /nfs/dbraw/zinc/31/11/55/584311155.db2.gz GPZXIBZYJBTBGG-QLSVQJPWSA-N -1 3 228.277 0.402 20 0 BCADHM CC=C[C@@H](O)C(=O)Nc1nc(SC)n[n-]1 ZINC000900440443 584311157 /nfs/dbraw/zinc/31/11/57/584311157.db2.gz GPZXIBZYJBTBGG-QLSVQJPWSA-N -1 3 228.277 0.402 20 0 BCADHM CC=C[C@@H](O)C(=O)Nc1n[n-]c(SC)n1 ZINC000900440443 584311160 /nfs/dbraw/zinc/31/11/60/584311160.db2.gz GPZXIBZYJBTBGG-QLSVQJPWSA-N -1 3 228.277 0.402 20 0 BCADHM O=C(CNC1CC1)[N-]S(=O)(=O)C1CCCC1 ZINC000901031993 584375965 /nfs/dbraw/zinc/37/59/65/584375965.db2.gz BFNFLDMNLPGZBT-UHFFFAOYSA-N -1 3 246.332 0.127 20 0 BCADHM CC[C@@H](NC)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000901036697 584376287 /nfs/dbraw/zinc/37/62/87/584376287.db2.gz WREVFTVGVHNCLX-SECBINFHSA-N -1 3 248.348 0.373 20 0 BCADHM CCC(CC)CC(=O)[N-]S(=O)(=O)CCN ZINC000901100262 584381160 /nfs/dbraw/zinc/38/11/60/584381160.db2.gz GRGOPMHZNVOHRD-UHFFFAOYSA-N -1 3 236.337 0.217 20 0 BCADHM C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)CCN)C1 ZINC000901100362 584382098 /nfs/dbraw/zinc/38/20/98/584382098.db2.gz WNLMVLJXYKAAEN-BDAKNGLRSA-N -1 3 248.348 0.217 20 0 BCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000901222319 584410927 /nfs/dbraw/zinc/41/09/27/584410927.db2.gz XBGGKAHAHYTNGM-RQJHMYQMSA-N -1 3 238.218 0.591 20 0 BCADHM CCCn1cc(CNC(C)(C)C(=O)[O-])nn1 ZINC000901489639 584452285 /nfs/dbraw/zinc/45/22/85/584452285.db2.gz OUWLAWJTAZLVQM-UHFFFAOYSA-N -1 3 226.280 0.641 20 0 BCADHM CC[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])N(C)C ZINC000901495529 584453354 /nfs/dbraw/zinc/45/33/54/584453354.db2.gz JOZTZWODAQQMKO-VHSXEESVSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@H](C(=O)NCCC(C)(C)C(=O)[O-])N(C)C ZINC000901685955 584481131 /nfs/dbraw/zinc/48/11/31/584481131.db2.gz BQJMEBBVPHUJNC-SECBINFHSA-N -1 3 244.335 0.944 20 0 BCADHM Cn1ccc(CN[C@@](C)(CCF)C(=O)[O-])n1 ZINC000901915176 584503589 /nfs/dbraw/zinc/50/35/89/584503589.db2.gz IKDMQYDPCMTBRD-JTQLQIEISA-N -1 3 229.255 0.713 20 0 BCADHM CC(C)N(C)CC(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000902111505 584527046 /nfs/dbraw/zinc/52/70/46/584527046.db2.gz HHZSVPRQWQUNEV-GFCCVEGCSA-N -1 3 242.319 0.792 20 0 BCADHM C[C@@H]1C[C@@H]1c1nnc([N-]Cc2ncnn2C)o1 ZINC000902151940 584530988 /nfs/dbraw/zinc/53/09/88/584530988.db2.gz XSAJZAFAKFHWHI-RQJHMYQMSA-N -1 3 234.263 0.934 20 0 BCADHM CN(CC(=O)NC(C)(C)C(=O)[O-])CC(C)(C)C ZINC000902203019 584538089 /nfs/dbraw/zinc/53/80/89/584538089.db2.gz IPMCPVFXDOMZRD-UHFFFAOYSA-N -1 3 244.335 0.944 20 0 BCADHM CC(=O)[N-]OCCCCCNC(C)=O ZINC000902230995 584542401 /nfs/dbraw/zinc/54/24/01/584542401.db2.gz NDSMWBLJSHGUHS-UHFFFAOYSA-N -1 3 202.254 0.361 20 0 BCADHM CCOC([O-])=NOCC[C@@H]1CCNC1=O ZINC000902449499 584606073 /nfs/dbraw/zinc/60/60/73/584606073.db2.gz AKTUGHZIBJKVES-ZETCQYMHSA-N -1 3 216.237 0.190 20 0 BCADHM CCOC(=O)[N-]OCC[C@@H]1CCNC1=O ZINC000902449499 584606076 /nfs/dbraw/zinc/60/60/76/584606076.db2.gz AKTUGHZIBJKVES-ZETCQYMHSA-N -1 3 216.237 0.190 20 0 BCADHM CNc1ccc(C)cc1CNCC(=O)[N-]OC ZINC000902657417 584650323 /nfs/dbraw/zinc/65/03/23/584650323.db2.gz ZLFJWZBMPHHUTA-UHFFFAOYSA-N -1 3 237.303 0.804 20 0 BCADHM O=C(OCCF)N1CCc2nc[n-]c(=O)c2C1 ZINC000859076770 588998223 /nfs/dbraw/zinc/99/82/23/588998223.db2.gz KGLASSZJJLCCGF-UHFFFAOYSA-N -1 3 241.222 0.646 20 0 BCADHM CCCN(C)CC(=O)NC[C@H](CC)C(=O)[O-] ZINC000902847921 584681907 /nfs/dbraw/zinc/68/19/07/584681907.db2.gz KPXSVZHIYJATJR-VIFPVBQESA-N -1 3 230.308 0.555 20 0 BCADHM O=C([O-])[C@@H]1COCCN1C[C@@H]1C[C@@]12CCOC2 ZINC000903405811 584758208 /nfs/dbraw/zinc/75/82/08/584758208.db2.gz XDMXUEYUIDERMA-JBLDHEPKSA-N -1 3 241.287 0.198 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC=CCN2)n1 ZINC000903489380 584780605 /nfs/dbraw/zinc/78/06/05/584780605.db2.gz PSQPAWOTYHGIMA-UHFFFAOYSA-N -1 3 220.276 0.621 20 0 BCADHM Cn1cc(CN2CCC[C@@H]3C[C@@]32C(=O)[O-])cn1 ZINC000903936895 584826549 /nfs/dbraw/zinc/82/65/49/584826549.db2.gz XFJMXVWAKTVQMZ-PWSUYJOCSA-N -1 3 235.287 0.859 20 0 BCADHM O=C([O-])C1(NCc2cnn(CCF)c2)CC1 ZINC000903989162 584836257 /nfs/dbraw/zinc/83/62/57/584836257.db2.gz SALVPPWXDCGLLN-UHFFFAOYSA-N -1 3 227.239 0.559 20 0 BCADHM O=C([O-])C1(NCc2cnn(CCF)c2)CCC1 ZINC000904007251 584837152 /nfs/dbraw/zinc/83/71/52/584837152.db2.gz BYVFHCJGLPCKOT-UHFFFAOYSA-N -1 3 241.266 0.950 20 0 BCADHM Cc1cnccc1CN[C@@]1(C(=O)[O-])CCOC1 ZINC000904009310 584837608 /nfs/dbraw/zinc/83/76/08/584837608.db2.gz DBIQGJQASMCVDZ-LBPRGKRZSA-N -1 3 236.271 0.723 20 0 BCADHM COC[C@](C)(NCc1ccc(F)nc1)C(=O)[O-] ZINC000904009767 584837674 /nfs/dbraw/zinc/83/76/74/584837674.db2.gz IZTANZVCONZQJL-NSHDSACASA-N -1 3 242.250 0.800 20 0 BCADHM O=C([O-])[C@@]1(NCc2ccc(F)nc2)CCOC1 ZINC000904009251 584837682 /nfs/dbraw/zinc/83/76/82/584837682.db2.gz BDFYWUUTRGPABT-LLVKDONJSA-N -1 3 240.234 0.554 20 0 BCADHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904189166 584848122 /nfs/dbraw/zinc/84/81/22/584848122.db2.gz CORQCTPJVMWREK-BGZDPUMWSA-N -1 3 235.291 0.831 20 0 BCADHM CC(C)n1ccc(CC(=O)[N-]c2nnnn2C)n1 ZINC000904189423 584849026 /nfs/dbraw/zinc/84/90/26/584849026.db2.gz MGOGDTNDGPBHBK-UHFFFAOYSA-N -1 3 249.278 0.169 20 0 BCADHM C[C@H](Cc1ccco1)C(=O)[N-]c1nnnn1C ZINC000904190959 584849043 /nfs/dbraw/zinc/84/90/43/584849043.db2.gz MUUFARQLAMUDHU-SSDOTTSWSA-N -1 3 235.247 0.620 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@H]1CC(C)(C)CO1 ZINC000904190436 584849045 /nfs/dbraw/zinc/84/90/45/584849045.db2.gz GXHSPWQSMGGYCA-ZETCQYMHSA-N -1 3 239.279 0.354 20 0 BCADHM CO[C@@H](CC(C)C)C(=O)[N-]c1nnnn1C ZINC000904191633 584849124 /nfs/dbraw/zinc/84/91/24/584849124.db2.gz NDIJJABUPPJRAW-ZETCQYMHSA-N -1 3 227.268 0.210 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000904192031 584849148 /nfs/dbraw/zinc/84/91/48/584849148.db2.gz XKDIFIVKVFZKHW-BDAKNGLRSA-N -1 3 235.291 0.975 20 0 BCADHM C[C@@H]1CCCC[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904191855 584849286 /nfs/dbraw/zinc/84/92/86/584849286.db2.gz QODIKNVFKAIJOB-SFYZADRCSA-N -1 3 223.280 0.975 20 0 BCADHM COCC(C)(C)CC(=O)[N-]c1nnnn1C ZINC000904192075 584849443 /nfs/dbraw/zinc/84/94/43/584849443.db2.gz YUHIYNYTUIMKOY-UHFFFAOYSA-N -1 3 227.268 0.211 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@]1(C)CCCCO1 ZINC000904191897 584849510 /nfs/dbraw/zinc/84/95/10/584849510.db2.gz RLHIFDOWLNPSGI-SECBINFHSA-N -1 3 225.252 0.108 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CCCC(F)(F)C1 ZINC000904193108 584849864 /nfs/dbraw/zinc/84/98/64/584849864.db2.gz ADKFTTKLRCIPNQ-LURJTMIESA-N -1 3 245.233 0.974 20 0 BCADHM CC[C@H]1CC[C@H](C(=O)[N-]c2nnnn2C)O1 ZINC000904194949 584850073 /nfs/dbraw/zinc/85/00/73/584850073.db2.gz PACSFFVYRDQKDL-NKWVEPMBSA-N -1 3 225.252 0.106 20 0 BCADHM C[C@H]1CC(=O)CC[C@H]1C(=O)[N-]c1nnnn1C ZINC000904195212 584850078 /nfs/dbraw/zinc/85/00/78/584850078.db2.gz RLKYCPLFAHLKOK-POYBYMJQSA-N -1 3 237.263 0.154 20 0 BCADHM C[C@@H]1CCC[C@@H]1CC(=O)[N-]c1nnnn1C ZINC000904194917 584850230 /nfs/dbraw/zinc/85/02/30/584850230.db2.gz GZYNWRQYWYKROA-HTQZYQBOSA-N -1 3 223.280 0.975 20 0 BCADHM C[C@H]1CC[C@H](CC(=O)[N-]c2nnnn2C)C1 ZINC000904195000 584850265 /nfs/dbraw/zinc/85/02/65/584850265.db2.gz PQPYKHJJLATHKG-YUMQZZPRSA-N -1 3 223.280 0.975 20 0 BCADHM C[C@H]1CC/C(=C/C(=O)[N-]c2nnnn2C)C1 ZINC000904194974 584850312 /nfs/dbraw/zinc/85/03/12/584850312.db2.gz PIZHJBZSRPARBD-VQKCLUMFSA-N -1 3 221.264 0.895 20 0 BCADHM CC(C)CCSCC(=O)[N-]c1nnnn1C ZINC000904200164 584850918 /nfs/dbraw/zinc/85/09/18/584850918.db2.gz PPRHUMXGYNXCGA-UHFFFAOYSA-N -1 3 243.336 0.928 20 0 BCADHM Cn1nnnc1[N-]C(=O)CC[C@@H]1CCCCO1 ZINC000904198535 584851080 /nfs/dbraw/zinc/85/10/80/584851080.db2.gz GXFJRIBVSZGSOS-QMMMGPOBSA-N -1 3 239.279 0.498 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCCS1 ZINC000904200708 584851156 /nfs/dbraw/zinc/85/11/56/584851156.db2.gz ZZJGUPJFUKJNNX-YFKPBYRVSA-N -1 3 213.266 0.044 20 0 BCADHM CCNC(=O)[C@@H](N[C@@H](C)C(=O)[O-])C(C)C ZINC000904242500 584858091 /nfs/dbraw/zinc/85/80/91/584858091.db2.gz NRFLZSIVRCVHNO-YUMQZZPRSA-N -1 3 216.281 0.210 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)NCCN(C)C1CC1 ZINC000827291554 584898199 /nfs/dbraw/zinc/89/81/99/584898199.db2.gz LDDVUYWAXYVAFL-QMMMGPOBSA-N -1 3 228.292 0.308 20 0 BCADHM CCc1cc(CN[C@H]2CCN(C(=O)[O-])C2)n[nH]1 ZINC000827565967 584899617 /nfs/dbraw/zinc/89/96/17/584899617.db2.gz WPEGXJUQAYABTA-VIFPVBQESA-N -1 3 238.291 0.814 20 0 BCADHM CCc1cc(CN[C@H]2CCN(C(=O)[O-])C2)[nH]n1 ZINC000827565967 584899618 /nfs/dbraw/zinc/89/96/18/584899618.db2.gz WPEGXJUQAYABTA-VIFPVBQESA-N -1 3 238.291 0.814 20 0 BCADHM O=C(C[N-]C(=O)C(F)F)NCc1ccco1 ZINC000732305975 584935666 /nfs/dbraw/zinc/93/56/66/584935666.db2.gz UAHBVWURZWJOIJ-UHFFFAOYSA-N -1 3 232.186 0.277 20 0 BCADHM CC(C)(C)CCS(=O)(=O)[N-][C@H]1CCOC1=O ZINC000733311348 584946786 /nfs/dbraw/zinc/94/67/86/584946786.db2.gz IQUXIUBNNCQBGA-QMMMGPOBSA-N -1 3 249.332 0.658 20 0 BCADHM CCCN(C)CC(=O)N(CCC(=O)[O-])C1CC1 ZINC000737827362 584953758 /nfs/dbraw/zinc/95/37/58/584953758.db2.gz YISNFIVTFHJMJW-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM NC(=O)CON=C([O-])Nc1ccccc1Cl ZINC000135739151 584966180 /nfs/dbraw/zinc/96/61/80/584966180.db2.gz FJQCOZOXKVQNBL-UHFFFAOYSA-N -1 3 243.650 0.878 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccccc1Cl ZINC000135739151 584966181 /nfs/dbraw/zinc/96/61/81/584966181.db2.gz FJQCOZOXKVQNBL-UHFFFAOYSA-N -1 3 243.650 0.878 20 0 BCADHM CC(C)=CC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000735678976 584981025 /nfs/dbraw/zinc/98/10/25/584981025.db2.gz BKBBEYWWYPEJIC-UHFFFAOYSA-N -1 3 244.258 0.588 20 0 BCADHM CC(C)=CC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000735678976 584981026 /nfs/dbraw/zinc/98/10/26/584981026.db2.gz BKBBEYWWYPEJIC-UHFFFAOYSA-N -1 3 244.258 0.588 20 0 BCADHM CC(C)CC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000735756386 584981470 /nfs/dbraw/zinc/98/14/70/584981470.db2.gz NFOYNKTZFYMNLD-UHFFFAOYSA-N -1 3 246.274 0.668 20 0 BCADHM CC(C)CC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000735756386 584981471 /nfs/dbraw/zinc/98/14/71/584981471.db2.gz NFOYNKTZFYMNLD-UHFFFAOYSA-N -1 3 246.274 0.668 20 0 BCADHM O=C(CCc1ncccn1)[N-]OCC1CC1 ZINC000817339383 584985920 /nfs/dbraw/zinc/98/59/20/584985920.db2.gz GWTCEWJPPMLQJJ-UHFFFAOYSA-N -1 3 221.260 0.867 20 0 BCADHM C[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000736038595 584987231 /nfs/dbraw/zinc/98/72/31/584987231.db2.gz WCCVNUYLMCSECJ-ZCFIWIBFSA-N -1 3 237.238 0.799 20 0 BCADHM C[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000736038595 584987232 /nfs/dbraw/zinc/98/72/32/584987232.db2.gz WCCVNUYLMCSECJ-ZCFIWIBFSA-N -1 3 237.238 0.799 20 0 BCADHM CC[C@@H](C)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000736320729 584997683 /nfs/dbraw/zinc/99/76/83/584997683.db2.gz WPAUWUKLWUECRC-RXMQYKEDSA-N -1 3 235.251 0.332 20 0 BCADHM CC(C)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000736456095 585003272 /nfs/dbraw/zinc/00/32/72/585003272.db2.gz YGOUITFLCWNDKS-JTQLQIEISA-N -1 3 242.319 0.650 20 0 BCADHM CCCCNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736461932 585003471 /nfs/dbraw/zinc/00/34/71/585003471.db2.gz WHQWPKDOZPRLSM-UHFFFAOYSA-N -1 3 246.274 0.792 20 0 BCADHM CCCCNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736461932 585003472 /nfs/dbraw/zinc/00/34/72/585003472.db2.gz WHQWPKDOZPRLSM-UHFFFAOYSA-N -1 3 246.274 0.792 20 0 BCADHM CCN(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736510471 585005185 /nfs/dbraw/zinc/00/51/85/585005185.db2.gz XHVGBWIRIBRUDN-UHFFFAOYSA-N -1 3 232.247 0.354 20 0 BCADHM CCN(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736510471 585005186 /nfs/dbraw/zinc/00/51/86/585005186.db2.gz XHVGBWIRIBRUDN-UHFFFAOYSA-N -1 3 232.247 0.354 20 0 BCADHM CC(C)N(C)CC(=O)NC[C@@H](C)C(=O)[O-] ZINC000736594897 585006916 /nfs/dbraw/zinc/00/69/16/585006916.db2.gz FMGLZLCAJWESSS-MRVPVSSYSA-N -1 3 216.281 0.164 20 0 BCADHM C[C@H](CNC(=O)CCNC(=O)[O-])N1CCCC1 ZINC000736596155 585007111 /nfs/dbraw/zinc/00/71/11/585007111.db2.gz YFCMTTSDMVQKOU-SECBINFHSA-N -1 3 243.307 0.245 20 0 BCADHM C[C@@H]1CCCN1CCNC(=O)CCNC(=O)[O-] ZINC000736790242 585014606 /nfs/dbraw/zinc/01/46/06/585014606.db2.gz BSCRJRWCDWBVMZ-SECBINFHSA-N -1 3 243.307 0.245 20 0 BCADHM C[C@H]1CCCN1CCNC(=O)CCNC(=O)[O-] ZINC000736790243 585014707 /nfs/dbraw/zinc/01/47/07/585014707.db2.gz BSCRJRWCDWBVMZ-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM CC[C@H](C)CN(C)CC(=O)NCCC(=O)[O-] ZINC000736881345 585018807 /nfs/dbraw/zinc/01/88/07/585018807.db2.gz YOWRNCLVXPIXBF-VIFPVBQESA-N -1 3 230.308 0.555 20 0 BCADHM COC(=O)CCCn1cc(-c2nnn[n-]2)cn1 ZINC000736913857 585019125 /nfs/dbraw/zinc/01/91/25/585019125.db2.gz YMUJLBXVAXYEQV-UHFFFAOYSA-N -1 3 236.235 0.016 20 0 BCADHM COC(=O)CCCn1cc(-c2nn[n-]n2)cn1 ZINC000736913857 585019126 /nfs/dbraw/zinc/01/91/26/585019126.db2.gz YMUJLBXVAXYEQV-UHFFFAOYSA-N -1 3 236.235 0.016 20 0 BCADHM COC1CN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000736966071 585020779 /nfs/dbraw/zinc/02/07/79/585020779.db2.gz JZDHWUHIECUNMO-UHFFFAOYSA-N -1 3 232.247 0.097 20 0 BCADHM COC1CN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000736966071 585020780 /nfs/dbraw/zinc/02/07/80/585020780.db2.gz JZDHWUHIECUNMO-UHFFFAOYSA-N -1 3 232.247 0.097 20 0 BCADHM CCCN(C)CC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000737007906 585022222 /nfs/dbraw/zinc/02/22/22/585022222.db2.gz PNHZYRWUUQUWDX-SNVBAGLBSA-N -1 3 244.335 0.944 20 0 BCADHM CCN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1C ZINC000737094179 585025698 /nfs/dbraw/zinc/02/56/98/585025698.db2.gz QOUNZRNXAUSITO-VIFPVBQESA-N -1 3 228.292 0.404 20 0 BCADHM CCN1CCC[C@H](NC(=O)CCNC(=O)[O-])C1 ZINC000737113169 585025939 /nfs/dbraw/zinc/02/59/39/585025939.db2.gz BEBRHKGPKLUJGW-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM CCN1CCCN(C(=O)CCNC(=O)[O-])CC1 ZINC000737115541 585026050 /nfs/dbraw/zinc/02/60/50/585026050.db2.gz MFNZDQDABGAGGE-UHFFFAOYSA-N -1 3 243.307 0.198 20 0 BCADHM Cc1c(NC([O-])=NOCC2CCC2)nnn1C ZINC000823798093 585028360 /nfs/dbraw/zinc/02/83/60/585028360.db2.gz AGWWLCYAIVLISO-UHFFFAOYSA-N -1 3 239.279 0.977 20 0 BCADHM Cc1c(NC(=O)[N-]OCC2CCC2)nnn1C ZINC000823798093 585028361 /nfs/dbraw/zinc/02/83/61/585028361.db2.gz AGWWLCYAIVLISO-UHFFFAOYSA-N -1 3 239.279 0.977 20 0 BCADHM CN(C)[C@@H]1CCN(C(=O)CCCNC(=O)[O-])C1 ZINC000737359615 585030788 /nfs/dbraw/zinc/03/07/88/585030788.db2.gz UDRZBDUEQBRVGI-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM CN(C)CCNC(=O)CCCN(C)C(=O)[O-] ZINC000737367548 585031002 /nfs/dbraw/zinc/03/10/02/585031002.db2.gz NGTGNRCIKAKUPN-UHFFFAOYSA-N -1 3 231.296 0.054 20 0 BCADHM CN1CCCN(C(=O)CCCNC(=O)[O-])CC1 ZINC000737517117 585034585 /nfs/dbraw/zinc/03/45/85/585034585.db2.gz HTDKVIJCDLBRPV-UHFFFAOYSA-N -1 3 243.307 0.198 20 0 BCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C ZINC000737523814 585035185 /nfs/dbraw/zinc/03/51/85/585035185.db2.gz SZLRVJUKTQSIMF-UHFFFAOYSA-N -1 3 241.258 0.971 20 0 BCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C ZINC000737523814 585035186 /nfs/dbraw/zinc/03/51/86/585035186.db2.gz SZLRVJUKTQSIMF-UHFFFAOYSA-N -1 3 241.258 0.971 20 0 BCADHM CN(C(=O)[O-])C1CCN(CCCCO)CC1 ZINC000737937393 585039327 /nfs/dbraw/zinc/03/93/27/585039327.db2.gz JECFKZKFNANLAX-UHFFFAOYSA-N -1 3 230.308 0.833 20 0 BCADHM O=C(OCCF)c1ccc(-c2nnn[n-]2)cc1 ZINC000738220403 585041771 /nfs/dbraw/zinc/04/17/71/585041771.db2.gz HPQMNTXQVCVAGD-UHFFFAOYSA-N -1 3 236.206 0.993 20 0 BCADHM O=C(OCCF)c1ccc(-c2nn[n-]n2)cc1 ZINC000738220403 585041772 /nfs/dbraw/zinc/04/17/72/585041772.db2.gz HPQMNTXQVCVAGD-UHFFFAOYSA-N -1 3 236.206 0.993 20 0 BCADHM C[Si](C)(C)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000738228543 585042001 /nfs/dbraw/zinc/04/20/01/585042001.db2.gz YAOSKZSINBZZDM-QMMMGPOBSA-N -1 3 244.367 0.139 20 0 BCADHM CO[C@@H]1COC[C@@H]1[N-]C(=O)C(C)(F)F ZINC000838359397 585054441 /nfs/dbraw/zinc/05/44/41/585054441.db2.gz YXJZWRZNPCAVGS-NTSWFWBYSA-N -1 3 209.192 0.172 20 0 BCADHM C[C@H]1C[C@H]([N-]S(=O)(=O)CC2CCC2)C(=O)O1 ZINC000841525094 585058681 /nfs/dbraw/zinc/05/86/81/585058681.db2.gz QEOWBFXCDHWQJI-CBAPKCEASA-N -1 3 247.316 0.410 20 0 BCADHM CCC/C(C)=C/C(=O)Nc1[n-]nnc1C(N)=O ZINC000839357144 585101805 /nfs/dbraw/zinc/10/18/05/585101805.db2.gz UNYSQMVCDNXNLJ-AATRIKPKSA-N -1 3 237.263 0.589 20 0 BCADHM CCCC(C)=CC(=O)Nc1nn[n-]c1C(N)=O ZINC000839357144 585101806 /nfs/dbraw/zinc/10/18/06/585101806.db2.gz UNYSQMVCDNXNLJ-AATRIKPKSA-N -1 3 237.263 0.589 20 0 BCADHM CCCC(C)=CC(=O)Nc1n[n-]nc1C(N)=O ZINC000839357144 585101807 /nfs/dbraw/zinc/10/18/07/585101807.db2.gz UNYSQMVCDNXNLJ-AATRIKPKSA-N -1 3 237.263 0.589 20 0 BCADHM CCOC(=O)COC(=O)c1cncc([O-])c1 ZINC000745002811 585155316 /nfs/dbraw/zinc/15/53/16/585155316.db2.gz SYNGROFKSIANJV-UHFFFAOYSA-N -1 3 225.200 0.507 20 0 BCADHM COCCO[N-]C(=O)[C@@H](C)N1CCCCCC1 ZINC000748772305 585195558 /nfs/dbraw/zinc/19/55/58/585195558.db2.gz BPFOONPICCEAFL-LLVKDONJSA-N -1 3 244.335 0.945 20 0 BCADHM CCCN(C)CC(=O)[N-]OCCOC ZINC000748770115 585195683 /nfs/dbraw/zinc/19/56/83/585195683.db2.gz RGIGGTNEDKORSE-UHFFFAOYSA-N -1 3 204.270 0.022 20 0 BCADHM COCCO[N-]C(=O)CCOC[C@H]1CCCO1 ZINC000748770861 585195741 /nfs/dbraw/zinc/19/57/41/585195741.db2.gz ZUOJIAXOAXJCEJ-SNVBAGLBSA-N -1 3 247.291 0.266 20 0 BCADHM COCCO[N-]C(=O)CCc1cscn1 ZINC000748775967 585195756 /nfs/dbraw/zinc/19/57/56/585195756.db2.gz ASHHCAYJHHJFRT-UHFFFAOYSA-N -1 3 230.289 0.770 20 0 BCADHM COC(=O)COC(=O)c1ccc(F)cc1[O-] ZINC000750169530 585211823 /nfs/dbraw/zinc/21/18/23/585211823.db2.gz MDUBXSUJMXDUKD-UHFFFAOYSA-N -1 3 228.175 0.861 20 0 BCADHM COC(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000752783508 585250149 /nfs/dbraw/zinc/25/01/49/585250149.db2.gz IJBOYVFFRAKTEP-UHFFFAOYSA-N -1 3 209.205 0.307 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1CC1(C)C ZINC000753086854 585253354 /nfs/dbraw/zinc/25/33/54/585253354.db2.gz YYIWWNXYQJHCMR-ZETCQYMHSA-N -1 3 201.266 0.851 20 0 BCADHM CC(=O)[N-]OCc1cn(-c2ccccc2)nn1 ZINC000753117067 585253877 /nfs/dbraw/zinc/25/38/77/585253877.db2.gz GMWZQHYGAATMKX-UHFFFAOYSA-N -1 3 232.243 0.835 20 0 BCADHM CCOCCC(=O)[N-]OCCCOC ZINC000805037579 585256805 /nfs/dbraw/zinc/25/68/05/585256805.db2.gz FVQWKFLGFRKKNG-UHFFFAOYSA-N -1 3 205.254 0.497 20 0 BCADHM CC[C@H](C(=O)[N-]OCCCOC)N(C)C ZINC000805038524 585256843 /nfs/dbraw/zinc/25/68/43/585256843.db2.gz KBIBBJPPHWNUIO-SECBINFHSA-N -1 3 218.297 0.411 20 0 BCADHM COCCCO[N-]C(=O)CC1(O)CCCC1 ZINC000805039833 585257138 /nfs/dbraw/zinc/25/71/38/585257138.db2.gz LBUYLVDPWXJKNZ-UHFFFAOYSA-N -1 3 231.292 0.766 20 0 BCADHM COCCCO[N-]C(=O)c1c[nH]c(=O)cc1C ZINC000805039906 585257181 /nfs/dbraw/zinc/25/71/81/585257181.db2.gz ZFKMWBARLZUKSV-UHFFFAOYSA-N -1 3 240.259 0.794 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1CCCCN1C ZINC000805039309 585257189 /nfs/dbraw/zinc/25/71/89/585257189.db2.gz XOKZZKZGXVQYGD-SNVBAGLBSA-N -1 3 230.308 0.555 20 0 BCADHM COCCCO[N-]C(=O)C[C@H](C)OC ZINC000805044661 585263203 /nfs/dbraw/zinc/26/32/03/585263203.db2.gz DGAWHGNKKFIRLB-QMMMGPOBSA-N -1 3 205.254 0.496 20 0 BCADHM Cc1noc(C)c1CCCNC(=O)c1c[n-]nn1 ZINC000753668373 585266123 /nfs/dbraw/zinc/26/61/23/585266123.db2.gz UEQFUFHJUTVPIG-UHFFFAOYSA-N -1 3 249.274 0.772 20 0 BCADHM Cc1noc(C)c1CCCNC(=O)c1cnn[n-]1 ZINC000753668373 585266124 /nfs/dbraw/zinc/26/61/24/585266124.db2.gz UEQFUFHJUTVPIG-UHFFFAOYSA-N -1 3 249.274 0.772 20 0 BCADHM Cc1noc(C)c1CCCNC(=O)c1cn[n-]n1 ZINC000753668373 585266125 /nfs/dbraw/zinc/26/61/25/585266125.db2.gz UEQFUFHJUTVPIG-UHFFFAOYSA-N -1 3 249.274 0.772 20 0 BCADHM CC1(C)OCC(N=c2ncnc3[nH][n-]cc2-3)CO1 ZINC000754104965 585278550 /nfs/dbraw/zinc/27/85/50/585278550.db2.gz HTMCRSRDPMTGIG-UHFFFAOYSA-N -1 3 249.274 0.290 20 0 BCADHM COc1csc(C(=O)[N-]c2nnn(C)n2)c1 ZINC000755367625 585298286 /nfs/dbraw/zinc/29/82/86/585298286.db2.gz MVCLTBVWMIZMQH-UHFFFAOYSA-N -1 3 239.260 0.533 20 0 BCADHM COCCO[N-]C(=O)C[C@@](C)(O)C1CC1 ZINC000755948333 585311121 /nfs/dbraw/zinc/31/11/21/585311121.db2.gz JIOCVVNEKBJPHL-SNVBAGLBSA-N -1 3 217.265 0.232 20 0 BCADHM COCCO[N-]C(=O)C[C@](C)(O)C1CC1 ZINC000755948331 585311144 /nfs/dbraw/zinc/31/11/44/585311144.db2.gz JIOCVVNEKBJPHL-JTQLQIEISA-N -1 3 217.265 0.232 20 0 BCADHM CN(C(=O)c1nnc[n-]1)c1ccc2c(c1)OCO2 ZINC000756298220 585317143 /nfs/dbraw/zinc/31/71/43/585317143.db2.gz SOZFHICBJAPASZ-UHFFFAOYSA-N -1 3 246.226 0.810 20 0 BCADHM CN(C(=O)c1nc[n-]n1)c1ccc2c(c1)OCO2 ZINC000756298220 585317144 /nfs/dbraw/zinc/31/71/44/585317144.db2.gz SOZFHICBJAPASZ-UHFFFAOYSA-N -1 3 246.226 0.810 20 0 BCADHM COc1cc(C(=O)OCCCO)ccc1[O-] ZINC000757100324 585328411 /nfs/dbraw/zinc/32/84/11/585328411.db2.gz IFSDATRJDFVLIL-UHFFFAOYSA-N -1 3 226.228 0.940 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CC1(C)CC1 ZINC000839745350 585339952 /nfs/dbraw/zinc/33/99/52/585339952.db2.gz PVYZZYBUBIEBAI-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000758467156 585356234 /nfs/dbraw/zinc/35/62/34/585356234.db2.gz QFMAFWCFYFLGGN-WPRPVWTQSA-N -1 3 245.275 0.760 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]OCC(F)F ZINC000759340029 585368876 /nfs/dbraw/zinc/36/88/76/585368876.db2.gz VOGUQAYWSIQTQZ-ZCFIWIBFSA-N -1 3 208.208 0.394 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]OCC(F)F ZINC000759350987 585371103 /nfs/dbraw/zinc/37/11/03/585371103.db2.gz JPHQYMTUDSRSMJ-YFKPBYRVSA-N -1 3 225.191 0.499 20 0 BCADHM CC[C@@H](C(=O)[N-]OCC(F)F)N(C)C ZINC000760145398 585386049 /nfs/dbraw/zinc/38/60/49/585386049.db2.gz BRDKVVKHTAASNJ-LURJTMIESA-N -1 3 210.224 0.640 20 0 BCADHM CN1CCCC[C@@H]1C(=O)[N-]OCC(F)F ZINC000760146373 585386096 /nfs/dbraw/zinc/38/60/96/585386096.db2.gz KOOAELKYLSWYEX-SSDOTTSWSA-N -1 3 222.235 0.784 20 0 BCADHM O=C(CC1(O)CCCC1)[N-]OCC(F)F ZINC000760161155 585386242 /nfs/dbraw/zinc/38/62/42/585386242.db2.gz UYJWRFCJUKKNAF-UHFFFAOYSA-N -1 3 223.219 0.995 20 0 BCADHM O=C(Cc1ccncc1)[N-]OCC(F)F ZINC000760161217 585386405 /nfs/dbraw/zinc/38/64/05/585386405.db2.gz XZADTVBILXHUNK-UHFFFAOYSA-N -1 3 216.187 0.937 20 0 BCADHM O=C(Oc1cccc2c1OCCO2)c1nnc[n-]1 ZINC000761020064 585403749 /nfs/dbraw/zinc/40/37/49/585403749.db2.gz MGWJOOJRHKQBSZ-UHFFFAOYSA-N -1 3 247.210 0.795 20 0 BCADHM O=C(Oc1cccc2c1OCCO2)c1ncn[n-]1 ZINC000761020064 585403750 /nfs/dbraw/zinc/40/37/50/585403750.db2.gz MGWJOOJRHKQBSZ-UHFFFAOYSA-N -1 3 247.210 0.795 20 0 BCADHM O=C(Oc1cccc2c1OCCO2)c1nc[n-]n1 ZINC000761020064 585403751 /nfs/dbraw/zinc/40/37/51/585403751.db2.gz MGWJOOJRHKQBSZ-UHFFFAOYSA-N -1 3 247.210 0.795 20 0 BCADHM Cn1ncc2c1nc(CN1CC[C@@H]3C[C@@H]31)[n-]c2=O ZINC000761094298 585408592 /nfs/dbraw/zinc/40/85/92/585408592.db2.gz OZNGQNJKRCETSB-APPZFPTMSA-N -1 3 245.286 0.663 20 0 BCADHM COc1cc(C(=O)[N-]c2cn[nH]n2)on1 ZINC000763196907 585444363 /nfs/dbraw/zinc/44/43/63/585444363.db2.gz NARMZKGKRJUTBS-UHFFFAOYSA-N -1 3 209.165 0.054 20 0 BCADHM O=C(OCC1(CO)COC1)c1ccc([O-])cc1 ZINC000763609630 585451377 /nfs/dbraw/zinc/45/13/77/585451377.db2.gz BXSQGZFWRROGKS-UHFFFAOYSA-N -1 3 238.239 0.558 20 0 BCADHM CCONC(=O)c1cc(F)cc2nn[n-]c21 ZINC000764073972 585459277 /nfs/dbraw/zinc/45/92/77/585459277.db2.gz FZXAAEXLFXLYIH-UHFFFAOYSA-N -1 3 224.195 0.778 20 0 BCADHM CCONC(=O)c1cc(F)cc2[n-]nnc21 ZINC000764073972 585459278 /nfs/dbraw/zinc/45/92/78/585459278.db2.gz FZXAAEXLFXLYIH-UHFFFAOYSA-N -1 3 224.195 0.778 20 0 BCADHM CCONC(=O)c1cc(F)cc2n[n-]nc21 ZINC000764073972 585459279 /nfs/dbraw/zinc/45/92/79/585459279.db2.gz FZXAAEXLFXLYIH-UHFFFAOYSA-N -1 3 224.195 0.778 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC000764204002 585461602 /nfs/dbraw/zinc/46/16/02/585461602.db2.gz GXAYZGHUYLJYKL-WPRPVWTQSA-N -1 3 215.249 0.107 20 0 BCADHM NC(=O)COC(=O)c1ccc2c(C=O)n[n-]c2c1 ZINC000766194479 585498671 /nfs/dbraw/zinc/49/86/71/585498671.db2.gz YHTBGFNJAWMJFJ-UHFFFAOYSA-N -1 3 247.210 0.018 20 0 BCADHM NC(=O)COC(=O)c1ccc2c(C=O)[n-]nc2c1 ZINC000766194479 585498672 /nfs/dbraw/zinc/49/86/72/585498672.db2.gz YHTBGFNJAWMJFJ-UHFFFAOYSA-N -1 3 247.210 0.018 20 0 BCADHM C[C@@H](C(=O)[N-]OCC(F)(F)F)N(C)C ZINC000766762483 585508023 /nfs/dbraw/zinc/50/80/23/585508023.db2.gz LQNTXGRSJKSBST-YFKPBYRVSA-N -1 3 214.187 0.547 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000766775010 585508421 /nfs/dbraw/zinc/50/84/21/585508421.db2.gz UGZIDTGOLYZUBD-CRCLSJGQSA-N -1 3 241.165 0.406 20 0 BCADHM C[N-]S(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000767647905 585523615 /nfs/dbraw/zinc/52/36/15/585523615.db2.gz AFTUQVCEIOYMMW-UHFFFAOYSA-N -1 3 236.680 0.652 20 0 BCADHM C[C@@H]1COCC[C@H]1C(=O)[N-]OC1CCOCC1 ZINC000768001700 585529434 /nfs/dbraw/zinc/52/94/34/585529434.db2.gz AIKIEMVPVBQAMK-MWLCHTKSSA-N -1 3 243.303 0.886 20 0 BCADHM Cn1ccsc1=NC(=O)c1csc(=O)[n-]1 ZINC000769689890 585561955 /nfs/dbraw/zinc/56/19/55/585561955.db2.gz IWFDLGBXBHCOTD-UHFFFAOYSA-N -1 3 241.297 0.990 20 0 BCADHM C[C@@](CO)(N=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000770462465 585574690 /nfs/dbraw/zinc/57/46/90/585574690.db2.gz OOCUJAFFIQUQEC-NSHDSACASA-N -1 3 233.275 0.299 20 0 BCADHM C[C@]1([N-]S(=O)(=O)CC2CC2)CCOC1=O ZINC000810102299 585593740 /nfs/dbraw/zinc/59/37/40/585593740.db2.gz HGUYXMJPCJYQMR-VIFPVBQESA-N -1 3 233.289 0.021 20 0 BCADHM C[C@@H](OC(=O)c1cncc([O-])c1)c1nncn1C ZINC000805450899 585600082 /nfs/dbraw/zinc/60/00/82/585600082.db2.gz TWWKTBKPNJPUOK-SSDOTTSWSA-N -1 3 248.242 0.834 20 0 BCADHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)OC1CCCC1 ZINC000771888390 585603979 /nfs/dbraw/zinc/60/39/79/585603979.db2.gz OQFJHYHPBLOUHL-QMMMGPOBSA-N -1 3 240.259 0.460 20 0 BCADHM CCOCCO[N-]C(=O)C[C@@H](C)COC ZINC000772696354 585621043 /nfs/dbraw/zinc/62/10/43/585621043.db2.gz DGFACALTMDTZJV-SECBINFHSA-N -1 3 219.281 0.743 20 0 BCADHM CCOCCO[N-]C(=O)CCOCC1CC1 ZINC000772700943 585621170 /nfs/dbraw/zinc/62/11/70/585621170.db2.gz HKIZCQLMRCAUSV-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM CCOCCO[N-]C(=O)[C@H](C(C)C)N(C)C ZINC000772700888 585621237 /nfs/dbraw/zinc/62/12/37/585621237.db2.gz CLLXDEMMNLJRAC-JTQLQIEISA-N -1 3 232.324 0.657 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)C2CC2)o1 ZINC000773311368 585634961 /nfs/dbraw/zinc/63/49/61/585634961.db2.gz YLJKWTGQLUKGQV-VIFPVBQESA-N -1 3 245.300 0.637 20 0 BCADHM CC[C@@H](OC)C(=O)[N-]OC1CCN(C)CC1 ZINC000773541913 585639869 /nfs/dbraw/zinc/63/98/69/585639869.db2.gz NHNHNLMOEJPVMC-SNVBAGLBSA-N -1 3 230.308 0.553 20 0 BCADHM CC[C@H](C)OCC(=O)[N-]OC1CCN(C)CC1 ZINC000774290725 585655841 /nfs/dbraw/zinc/65/58/41/585655841.db2.gz KWAOZQHMUHWVQG-JTQLQIEISA-N -1 3 244.335 0.944 20 0 BCADHM NC(=O)NCCCCC(=O)[N-]OC1CCCC1 ZINC000774875966 585668071 /nfs/dbraw/zinc/66/80/71/585668071.db2.gz ZOOJEHBGUZRTQQ-UHFFFAOYSA-N -1 3 243.307 0.815 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1CCCCN1C ZINC000775231049 585673685 /nfs/dbraw/zinc/67/36/85/585673685.db2.gz DAHNXXMHSVFGQC-JTQLQIEISA-N -1 3 230.308 0.555 20 0 BCADHM CC[C@@H](C(=O)[N-]OC1CCOCC1)N(C)C ZINC000775246195 585674089 /nfs/dbraw/zinc/67/40/89/585674089.db2.gz MYIYOMJIMPNRGG-JTQLQIEISA-N -1 3 230.308 0.553 20 0 BCADHM O=C([N-]OC1CCCC1)[C@H]1CCNC(=O)C1 ZINC000775281656 585674991 /nfs/dbraw/zinc/67/49/91/585674991.db2.gz XMPXWCRFQNJNRR-QMMMGPOBSA-N -1 3 226.276 0.503 20 0 BCADHM CCn1ncnc1COC(=O)c1n[n-]nc1C ZINC000805546020 585678749 /nfs/dbraw/zinc/67/87/49/585678749.db2.gz CEORWUVYJVPQNT-UHFFFAOYSA-N -1 3 236.235 0.082 20 0 BCADHM CCOCCCOC(=O)c1n[n-]nc1C ZINC000805546596 585679441 /nfs/dbraw/zinc/67/94/41/585679441.db2.gz OJRMJKUARBOGRT-UHFFFAOYSA-N -1 3 213.237 0.697 20 0 BCADHM CCc1noc(COC(=O)c2n[n-]nc2C)n1 ZINC000805547743 585681109 /nfs/dbraw/zinc/68/11/09/585681109.db2.gz JSVLQHRCVDRNLJ-UHFFFAOYSA-N -1 3 237.219 0.416 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@@H]1CC[C@@H](C)O1 ZINC000805547911 585681490 /nfs/dbraw/zinc/68/14/90/585681490.db2.gz LKSWJZWIWBYEOZ-SVRRBLITSA-N -1 3 225.248 0.837 20 0 BCADHM COCCCOCC(=O)[N-]C1=NCCS1 ZINC000775645560 585681972 /nfs/dbraw/zinc/68/19/72/585681972.db2.gz BIECYWFWZXASRM-UHFFFAOYSA-N -1 3 232.305 0.259 20 0 BCADHM COC(=O)CCCC(=O)[N-]OC1CCOCC1 ZINC000776263070 585694097 /nfs/dbraw/zinc/69/40/97/585694097.db2.gz DTXPSMPDXXAFIK-UHFFFAOYSA-N -1 3 245.275 0.557 20 0 BCADHM [O-]C(=NOCCO)Nc1ccccc1F ZINC000776295010 585694864 /nfs/dbraw/zinc/69/48/64/585694864.db2.gz CEOUNSOCPQMQKC-UHFFFAOYSA-N -1 3 214.196 0.871 20 0 BCADHM O=C([N-]OCCO)Nc1ccccc1F ZINC000776295010 585694865 /nfs/dbraw/zinc/69/48/65/585694865.db2.gz CEOUNSOCPQMQKC-UHFFFAOYSA-N -1 3 214.196 0.871 20 0 BCADHM CC(=O)c1ccc(NC([O-])=NOCCO)cc1 ZINC000776295341 585694967 /nfs/dbraw/zinc/69/49/67/585694967.db2.gz LPQOPQHVZWKXQJ-UHFFFAOYSA-N -1 3 238.243 0.935 20 0 BCADHM CC(=O)c1ccc(NC(=O)[N-]OCCO)cc1 ZINC000776295341 585694968 /nfs/dbraw/zinc/69/49/68/585694968.db2.gz LPQOPQHVZWKXQJ-UHFFFAOYSA-N -1 3 238.243 0.935 20 0 BCADHM [O-]C(=NOCCO)Nc1ccc(Cl)nc1 ZINC000776298065 585695217 /nfs/dbraw/zinc/69/52/17/585695217.db2.gz PIVNCBJEHIROOP-UHFFFAOYSA-N -1 3 231.639 0.780 20 0 BCADHM O=C([N-]OCCO)Nc1ccc(Cl)nc1 ZINC000776298065 585695218 /nfs/dbraw/zinc/69/52/18/585695218.db2.gz PIVNCBJEHIROOP-UHFFFAOYSA-N -1 3 231.639 0.780 20 0 BCADHM CCOCCON=C([O-])Nc1ccnnc1C ZINC000776493706 585699611 /nfs/dbraw/zinc/69/96/11/585699611.db2.gz LMQRSHSADABGHN-UHFFFAOYSA-N -1 3 240.263 0.875 20 0 BCADHM CCOCCO[N-]C(=O)Nc1ccnnc1C ZINC000776493706 585699612 /nfs/dbraw/zinc/69/96/12/585699612.db2.gz LMQRSHSADABGHN-UHFFFAOYSA-N -1 3 240.263 0.875 20 0 BCADHM Cc1nc(CCCC(=O)[N-]OCCO)cs1 ZINC000776583561 585701565 /nfs/dbraw/zinc/70/15/65/585701565.db2.gz BMNUFMDVICUZRH-UHFFFAOYSA-N -1 3 244.316 0.814 20 0 BCADHM O=C([N-]OCCO)c1cc(F)c(F)cc1F ZINC000776584212 585701595 /nfs/dbraw/zinc/70/15/95/585701595.db2.gz HUFCNHTTWKXHMI-UHFFFAOYSA-N -1 3 235.161 0.758 20 0 BCADHM O=C([N-]OCCO)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000776584431 585701729 /nfs/dbraw/zinc/70/17/29/585701729.db2.gz MMFLZGBWWUZTNV-WDEREUQCSA-N -1 3 239.246 0.969 20 0 BCADHM Cc1nonc1[N-]C(=O)c1ccncn1 ZINC000777618375 585717252 /nfs/dbraw/zinc/71/72/52/585717252.db2.gz GPMXKTTXHJBQQC-UHFFFAOYSA-N -1 3 205.177 0.420 20 0 BCADHM COc1ccccc1C(=O)[N-]N1CN=NC1=O ZINC000777767837 585719856 /nfs/dbraw/zinc/71/98/56/585719856.db2.gz JBFZETYRZJNNSV-UHFFFAOYSA-N -1 3 234.215 0.376 20 0 BCADHM C[C@@H]1C[C@@H](COC(=O)c2cnn[n-]2)CCO1 ZINC000805602871 585726910 /nfs/dbraw/zinc/72/69/10/585726910.db2.gz CXEYTYHMUMKSAJ-SFYZADRCSA-N -1 3 225.248 0.777 20 0 BCADHM C[C@@H]1C[C@@H](COC(=O)c2c[n-]nn2)CCO1 ZINC000805602871 585726911 /nfs/dbraw/zinc/72/69/11/585726911.db2.gz CXEYTYHMUMKSAJ-SFYZADRCSA-N -1 3 225.248 0.777 20 0 BCADHM NC(=O)[C@H](OC(=O)c1cnn[n-]1)c1ccccc1 ZINC000805602941 585727282 /nfs/dbraw/zinc/72/72/82/585727282.db2.gz AKQUOLXNAXWPIZ-SECBINFHSA-N -1 3 246.226 0.188 20 0 BCADHM NC(=O)[C@H](OC(=O)c1c[n-]nn1)c1ccccc1 ZINC000805602941 585727283 /nfs/dbraw/zinc/72/72/83/585727283.db2.gz AKQUOLXNAXWPIZ-SECBINFHSA-N -1 3 246.226 0.188 20 0 BCADHM CCCCOC(=O)[C@H](C)OC(=O)c1cnn[n-]1 ZINC000805603432 585728265 /nfs/dbraw/zinc/72/82/65/585728265.db2.gz JWFDWRYOYBXUNS-ZETCQYMHSA-N -1 3 241.247 0.693 20 0 BCADHM CCCCOC(=O)[C@H](C)OC(=O)c1c[n-]nn1 ZINC000805603432 585728266 /nfs/dbraw/zinc/72/82/66/585728266.db2.gz JWFDWRYOYBXUNS-ZETCQYMHSA-N -1 3 241.247 0.693 20 0 BCADHM O=C(COC(=O)c1cnn[n-]1)Cc1ccccc1 ZINC000805603614 585728869 /nfs/dbraw/zinc/72/88/69/585728869.db2.gz QYZFCBPDMRAJOZ-UHFFFAOYSA-N -1 3 245.238 0.773 20 0 BCADHM O=C(COC(=O)c1c[n-]nn1)Cc1ccccc1 ZINC000805603614 585728870 /nfs/dbraw/zinc/72/88/70/585728870.db2.gz QYZFCBPDMRAJOZ-UHFFFAOYSA-N -1 3 245.238 0.773 20 0 BCADHM Cn1cc(CCCOC(=O)c2cnn[n-]2)cn1 ZINC000805604841 585731586 /nfs/dbraw/zinc/73/15/86/585731586.db2.gz ASKMRRRRZVPPDJ-UHFFFAOYSA-N -1 3 235.247 0.328 20 0 BCADHM Cn1cc(CCCOC(=O)c2c[n-]nn2)cn1 ZINC000805604841 585731587 /nfs/dbraw/zinc/73/15/87/585731587.db2.gz ASKMRRRRZVPPDJ-UHFFFAOYSA-N -1 3 235.247 0.328 20 0 BCADHM O=C(OCc1noc(C2CC2)n1)c1cnn[n-]1 ZINC000805604987 585731626 /nfs/dbraw/zinc/73/16/26/585731626.db2.gz UDDFPBOSNJVGIV-UHFFFAOYSA-N -1 3 235.203 0.422 20 0 BCADHM O=C(OCc1noc(C2CC2)n1)c1c[n-]nn1 ZINC000805604987 585731627 /nfs/dbraw/zinc/73/16/27/585731627.db2.gz UDDFPBOSNJVGIV-UHFFFAOYSA-N -1 3 235.203 0.422 20 0 BCADHM Cc1ccnc(COC(=O)c2cnn[n-]2)c1 ZINC000805605476 585731919 /nfs/dbraw/zinc/73/19/19/585731919.db2.gz ISMQAIKEQVEGLI-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM Cc1ccnc(COC(=O)c2c[n-]nn2)c1 ZINC000805605476 585731920 /nfs/dbraw/zinc/73/19/20/585731920.db2.gz ISMQAIKEQVEGLI-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM Cc1cccc(COC(=O)c2cnn[n-]2)n1 ZINC000805605612 585732075 /nfs/dbraw/zinc/73/20/75/585732075.db2.gz LKAOEAPDHNULTG-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM Cc1cccc(COC(=O)c2c[n-]nn2)n1 ZINC000805605612 585732076 /nfs/dbraw/zinc/73/20/76/585732076.db2.gz LKAOEAPDHNULTG-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM O=C(COC(=O)c1cnn[n-]1)C1CCCC1 ZINC000805605634 585732141 /nfs/dbraw/zinc/73/21/41/585732141.db2.gz OZLLKVGBQHTGJM-UHFFFAOYSA-N -1 3 223.232 0.721 20 0 BCADHM O=C(COC(=O)c1c[n-]nn1)C1CCCC1 ZINC000805605634 585732142 /nfs/dbraw/zinc/73/21/42/585732142.db2.gz OZLLKVGBQHTGJM-UHFFFAOYSA-N -1 3 223.232 0.721 20 0 BCADHM Cc1nc(CCOC(=O)c2cnn[n-]2)cs1 ZINC000805605928 585732627 /nfs/dbraw/zinc/73/26/27/585732627.db2.gz CNOXKTMOGBYPNC-UHFFFAOYSA-N -1 3 238.272 0.969 20 0 BCADHM Cc1nc(CCOC(=O)c2c[n-]nn2)cs1 ZINC000805605928 585732628 /nfs/dbraw/zinc/73/26/28/585732628.db2.gz CNOXKTMOGBYPNC-UHFFFAOYSA-N -1 3 238.272 0.969 20 0 BCADHM CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cnn[n-]1 ZINC000805607068 585734386 /nfs/dbraw/zinc/73/43/86/585734386.db2.gz GEBMTTUVYZZJPW-RQJHMYQMSA-N -1 3 240.263 0.265 20 0 BCADHM CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1c[n-]nn1 ZINC000805607068 585734387 /nfs/dbraw/zinc/73/43/87/585734387.db2.gz GEBMTTUVYZZJPW-RQJHMYQMSA-N -1 3 240.263 0.265 20 0 BCADHM O=C(OCC[C@@H]1CCCCO1)c1cnn[n-]1 ZINC000805607462 585734740 /nfs/dbraw/zinc/73/47/40/585734740.db2.gz LBLVFYFJOCXGKE-QMMMGPOBSA-N -1 3 225.248 0.921 20 0 BCADHM O=C(OCC[C@@H]1CCCCO1)c1c[n-]nn1 ZINC000805607462 585734741 /nfs/dbraw/zinc/73/47/41/585734741.db2.gz LBLVFYFJOCXGKE-QMMMGPOBSA-N -1 3 225.248 0.921 20 0 BCADHM COc1cc(C)nc(COC(=O)c2cnn[n-]2)c1 ZINC000805608202 585735449 /nfs/dbraw/zinc/73/54/49/585735449.db2.gz APXZBSLZJRTSIR-UHFFFAOYSA-N -1 3 248.242 0.874 20 0 BCADHM COc1cc(C)nc(COC(=O)c2c[n-]nn2)c1 ZINC000805608202 585735450 /nfs/dbraw/zinc/73/54/50/585735450.db2.gz APXZBSLZJRTSIR-UHFFFAOYSA-N -1 3 248.242 0.874 20 0 BCADHM Cn1cnnc1[N-]C(=O)COC1(C)CCC1 ZINC000779415770 585754260 /nfs/dbraw/zinc/75/42/60/585754260.db2.gz FJRHKXZBOTWSKQ-UHFFFAOYSA-N -1 3 224.264 0.713 20 0 BCADHM Cn1nnnc1[N-]C(=O)/C=C/c1ccco1 ZINC000779466965 585755524 /nfs/dbraw/zinc/75/55/24/585755524.db2.gz XCNZKOVJLQFYEI-SNAWJCMRSA-N -1 3 219.204 0.455 20 0 BCADHM O=C(C=Cc1cncc([O-])c1)NCc1c[nH]cn1 ZINC000779666337 585758541 /nfs/dbraw/zinc/75/85/41/585758541.db2.gz RTRUNEAJOBEYMG-UPHRSURJSA-N -1 3 244.254 0.840 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CC[C@H](CO)C1 ZINC000779677643 585758713 /nfs/dbraw/zinc/75/87/13/585758713.db2.gz SAVQQAZPTZNCAZ-GXFZAYBSSA-N -1 3 248.282 0.641 20 0 BCADHM O=C([N-]C1=NCCS1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000779781782 585762839 /nfs/dbraw/zinc/76/28/39/585762839.db2.gz FYTJSIKQFHYFHO-RNJXMRFFSA-N -1 3 226.301 0.630 20 0 BCADHM NC(=O)CCCCC(=O)[N-]OCC(F)F ZINC000779842515 585768706 /nfs/dbraw/zinc/76/87/06/585768706.db2.gz ZMHCQTOHLDEDJP-UHFFFAOYSA-N -1 3 224.207 0.345 20 0 BCADHM Cc1cncc(C(=O)[N-]N2CCCC2=O)c1 ZINC000780706932 585783786 /nfs/dbraw/zinc/78/37/86/585783786.db2.gz RIPJELXKAIHXPK-UHFFFAOYSA-N -1 3 219.244 0.657 20 0 BCADHM CCn1cc(CC(=O)[N-]OCCOC)cn1 ZINC000780852588 585785413 /nfs/dbraw/zinc/78/54/13/585785413.db2.gz JXJFFAKFBXFSOK-UHFFFAOYSA-N -1 3 227.264 0.140 20 0 BCADHM O=C(OCCC1OCCO1)c1cncc([O-])c1 ZINC000781179138 585792201 /nfs/dbraw/zinc/79/22/01/585792201.db2.gz SLOHGGORBMGESC-UHFFFAOYSA-N -1 3 239.227 0.707 20 0 BCADHM Cc1cccc(C(=O)NN2CN=NC2=O)c1[O-] ZINC000782125025 585808103 /nfs/dbraw/zinc/80/81/03/585808103.db2.gz GEBGIKIKWGMXEF-UHFFFAOYSA-N -1 3 234.215 0.382 20 0 BCADHM Cc1ccc(C(=O)[N-]N2CN=NC2=O)c(F)c1 ZINC000782126699 585808234 /nfs/dbraw/zinc/80/82/34/585808234.db2.gz ZSHRYRPCKCTHKZ-UHFFFAOYSA-N -1 3 236.206 0.815 20 0 BCADHM COC[C@@H](C)OC(=O)c1cncc([O-])c1 ZINC000783624914 585837738 /nfs/dbraw/zinc/83/77/38/585837738.db2.gz PVJNVDYQZLRWMS-SSDOTTSWSA-N -1 3 211.217 0.979 20 0 BCADHM NC(=O)CO[N-]C(=O)CCCc1ccsc1 ZINC000783603241 585837966 /nfs/dbraw/zinc/83/79/66/585837966.db2.gz VSVUCUMUGFRYAQ-UHFFFAOYSA-N -1 3 242.300 0.604 20 0 BCADHM O=C(c1c([O-])cccc1O)N1C[C@H]2C[C@@]2(CO)C1 ZINC000783937066 585846039 /nfs/dbraw/zinc/84/60/39/585846039.db2.gz UMLRMBPGBJOBCW-OQPBUACISA-N -1 3 249.266 0.552 20 0 BCADHM CC(C)[C@@H](F)C(=O)[N-]c1nncn1C ZINC000784155513 585851932 /nfs/dbraw/zinc/85/19/32/585851932.db2.gz JAAYAERIRZBESX-ZCFIWIBFSA-N -1 3 200.217 0.748 20 0 BCADHM CC(C)[C@H](F)C(=O)[N-]N1CN=NC1=O ZINC000784788286 585866227 /nfs/dbraw/zinc/86/62/27/585866227.db2.gz HVBJPRZYCCBXQA-YFKPBYRVSA-N -1 3 202.189 0.048 20 0 BCADHM O=C(OCCOCCO)c1cc2occc2[n-]1 ZINC000786033914 585885690 /nfs/dbraw/zinc/88/56/90/585885690.db2.gz OJVPSQMUJNGHAF-UHFFFAOYSA-N -1 3 239.227 0.927 20 0 BCADHM CC(C)(NCc1n[nH]c(=O)[n-]1)C1CCOCC1 ZINC000786173341 585888315 /nfs/dbraw/zinc/88/83/15/585888315.db2.gz IPHDIILHIBMOFE-UHFFFAOYSA-N -1 3 240.307 0.805 20 0 BCADHM COCCC(C)(C)C(=O)[N-]OCCO ZINC000787294626 585904088 /nfs/dbraw/zinc/90/40/88/585904088.db2.gz WTHUDXHKGQYULD-UHFFFAOYSA-N -1 3 205.254 0.089 20 0 BCADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OCCO ZINC000787281354 585904529 /nfs/dbraw/zinc/90/45/29/585904529.db2.gz BLAHVOJORLPASI-IUCAKERBSA-N -1 3 201.266 0.853 20 0 BCADHM CCc1ccc(C(=O)NOCCO)c([O-])c1 ZINC000787287021 585904801 /nfs/dbraw/zinc/90/48/01/585904801.db2.gz PHWUSVDBFGGRON-UHFFFAOYSA-N -1 3 225.244 0.608 20 0 BCADHM Cc1cccc(OCCC(=O)[N-]OCCO)c1 ZINC000787284175 585904807 /nfs/dbraw/zinc/90/48/07/585904807.db2.gz RLWWWADDDZTBBG-UHFFFAOYSA-N -1 3 239.271 0.804 20 0 BCADHM O=C(C[N-]C(=O)C(F)F)Nc1cccnc1 ZINC000787289650 585905284 /nfs/dbraw/zinc/90/52/84/585905284.db2.gz JRIMUHQUSFOSQL-UHFFFAOYSA-N -1 3 229.186 0.401 20 0 BCADHM CNC(=O)C1([N-]C(=O)C(F)F)CCCC1 ZINC000787290159 585905308 /nfs/dbraw/zinc/90/53/08/585905308.db2.gz MHFZPNPEDWGIIU-UHFFFAOYSA-N -1 3 220.219 0.427 20 0 BCADHM Cc1noc(C)c1[C@H](C)CC(=O)[N-]OCCO ZINC000787293143 585905465 /nfs/dbraw/zinc/90/54/65/585905465.db2.gz MJZKFEAFPUVULN-SSDOTTSWSA-N -1 3 242.275 0.825 20 0 BCADHM O=C([N-]OCCO)c1ccc(F)c(F)c1F ZINC000787298261 585906175 /nfs/dbraw/zinc/90/61/75/585906175.db2.gz FJHHJDPYIMSXHJ-UHFFFAOYSA-N -1 3 235.161 0.758 20 0 BCADHM CCCOC(=O)[C@H](C)Sc1n[n-]c(CO)n1 ZINC000787485419 585910434 /nfs/dbraw/zinc/91/04/34/585910434.db2.gz BTZYWYBQRBYOSE-LURJTMIESA-N -1 3 245.304 0.731 20 0 BCADHM CC(C)(O)CCC(=O)[N-]OCC(F)F ZINC000787521725 585910887 /nfs/dbraw/zinc/91/08/87/585910887.db2.gz UTMJJHNMHRCQJT-UHFFFAOYSA-N -1 3 211.208 0.850 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1CCCN1C1CC1 ZINC000787532931 585911141 /nfs/dbraw/zinc/91/11/41/585911141.db2.gz HPWXWEFKHRXVMQ-NSHDSACASA-N -1 3 242.319 0.698 20 0 BCADHM COC(=O)CCCC(=O)[N-]OCC(C)(C)O ZINC000788219615 585919357 /nfs/dbraw/zinc/91/93/57/585919357.db2.gz BJSPZAXVBRIQGD-UHFFFAOYSA-N -1 3 233.264 0.148 20 0 BCADHM O=C(Cc1cccnc1)[N-]OC[C@@H]1CCOC1 ZINC000788270203 585920161 /nfs/dbraw/zinc/92/01/61/585920161.db2.gz GASUQPNHEBXDNR-LLVKDONJSA-N -1 3 236.271 0.708 20 0 BCADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ccon1 ZINC000788296585 585921207 /nfs/dbraw/zinc/92/12/07/585921207.db2.gz LWUWPLWPOABZGD-SSDOTTSWSA-N -1 3 227.220 0.764 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ccon1 ZINC000788296585 585921208 /nfs/dbraw/zinc/92/12/08/585921208.db2.gz LWUWPLWPOABZGD-SSDOTTSWSA-N -1 3 227.220 0.764 20 0 BCADHM Cn1nccc1NC([O-])=NOC[C@@H]1CCOC1 ZINC000788295034 585921229 /nfs/dbraw/zinc/92/12/29/585921229.db2.gz AGFMNNOWTOBFIZ-MRVPVSSYSA-N -1 3 240.263 0.510 20 0 BCADHM Cn1nccc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788295034 585921230 /nfs/dbraw/zinc/92/12/30/585921230.db2.gz AGFMNNOWTOBFIZ-MRVPVSSYSA-N -1 3 240.263 0.510 20 0 BCADHM CCOC(=O)[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000788648369 585927925 /nfs/dbraw/zinc/92/79/25/585927925.db2.gz LZNHQWXVXKZMNP-RXMQYKEDSA-N -1 3 244.272 0.530 20 0 BCADHM O=C(CC1OCCO1)Nc1ncccc1[O-] ZINC000788631531 585928279 /nfs/dbraw/zinc/92/82/79/585928279.db2.gz YYQPLUHOYYLBTO-UHFFFAOYSA-N -1 3 224.216 0.489 20 0 BCADHM Cc1nc(NC([O-])=NOCCO)sc1C ZINC000790576478 585966625 /nfs/dbraw/zinc/96/66/25/585966625.db2.gz KVYLPCZVLAENGL-UHFFFAOYSA-N -1 3 231.277 0.805 20 0 BCADHM Cc1nc(NC(=O)[N-]OCCO)sc1C ZINC000790576478 585966626 /nfs/dbraw/zinc/96/66/26/585966626.db2.gz KVYLPCZVLAENGL-UHFFFAOYSA-N -1 3 231.277 0.805 20 0 BCADHM CO[N-]C(=O)CCc1nc2ccccc2oc1=O ZINC000790938125 585970823 /nfs/dbraw/zinc/97/08/23/585970823.db2.gz ODAYWUJGVOCLKC-UHFFFAOYSA-N -1 3 248.238 0.798 20 0 BCADHM CC(C)(O)CO[N-]C(=O)/C=C/c1cccnc1 ZINC000791263192 585975573 /nfs/dbraw/zinc/97/55/73/585975573.db2.gz SGUVECMZJOFBSE-AATRIKPKSA-N -1 3 236.271 0.914 20 0 BCADHM CO[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000792053124 585995308 /nfs/dbraw/zinc/99/53/08/585995308.db2.gz XYYWHWNKYDCKIQ-ZCFIWIBFSA-N -1 3 226.198 0.548 20 0 BCADHM C[C@H](O)COC(=O)c1ccc2c(C=O)n[n-]c2c1 ZINC000792085362 585995441 /nfs/dbraw/zinc/99/54/41/585995441.db2.gz MRMUXZWUNWGJJE-ZETCQYMHSA-N -1 3 248.238 0.913 20 0 BCADHM C[C@H](O)COC(=O)c1ccc2c(C=O)[n-]nc2c1 ZINC000792085362 585995442 /nfs/dbraw/zinc/99/54/42/585995442.db2.gz MRMUXZWUNWGJJE-ZETCQYMHSA-N -1 3 248.238 0.913 20 0 BCADHM COCCON=C([O-])Nc1cnc(C)nc1 ZINC000792293987 585999278 /nfs/dbraw/zinc/99/92/78/585999278.db2.gz DUZOUSCUEWWDAQ-UHFFFAOYSA-N -1 3 226.236 0.485 20 0 BCADHM COCCO[N-]C(=O)Nc1cnc(C)nc1 ZINC000792293987 585999279 /nfs/dbraw/zinc/99/92/79/585999279.db2.gz DUZOUSCUEWWDAQ-UHFFFAOYSA-N -1 3 226.236 0.485 20 0 BCADHM [O-]C(=NOCCO)Nc1cnn(CC2CC2)c1 ZINC000792317919 585999585 /nfs/dbraw/zinc/99/95/85/585999585.db2.gz AMZDZFZFMRIWPM-UHFFFAOYSA-N -1 3 240.263 0.339 20 0 BCADHM O=C([N-]OCCO)Nc1cnn(CC2CC2)c1 ZINC000792317919 585999586 /nfs/dbraw/zinc/99/95/86/585999586.db2.gz AMZDZFZFMRIWPM-UHFFFAOYSA-N -1 3 240.263 0.339 20 0 BCADHM CCOc1cccc(NC([O-])=NOCCO)n1 ZINC000792365605 585999986 /nfs/dbraw/zinc/99/99/86/585999986.db2.gz ONACGAGKHJMDJE-UHFFFAOYSA-N -1 3 241.247 0.526 20 0 BCADHM CCOc1cccc(NC(=O)[N-]OCCO)n1 ZINC000792365605 585999987 /nfs/dbraw/zinc/99/99/87/585999987.db2.gz ONACGAGKHJMDJE-UHFFFAOYSA-N -1 3 241.247 0.526 20 0 BCADHM Cn1ncc(NC([O-])=NOCCO)c1C1CC1 ZINC000792374193 586000360 /nfs/dbraw/zinc/00/03/60/586000360.db2.gz UXJBARBKCXPRPG-UHFFFAOYSA-N -1 3 240.263 0.343 20 0 BCADHM Cn1ncc(NC(=O)[N-]OCCO)c1C1CC1 ZINC000792374193 586000361 /nfs/dbraw/zinc/00/03/61/586000361.db2.gz UXJBARBKCXPRPG-UHFFFAOYSA-N -1 3 240.263 0.343 20 0 BCADHM COCCON=C([O-])Nc1cc(OC)n(C)n1 ZINC000792377260 586000518 /nfs/dbraw/zinc/00/05/18/586000518.db2.gz OPFASGRFRSMAFT-UHFFFAOYSA-N -1 3 244.251 0.128 20 0 BCADHM COCCO[N-]C(=O)Nc1cc(OC)n(C)n1 ZINC000792377260 586000519 /nfs/dbraw/zinc/00/05/19/586000519.db2.gz OPFASGRFRSMAFT-UHFFFAOYSA-N -1 3 244.251 0.128 20 0 BCADHM O=C(CCc1c[nH]cn1)[N-]OCC(F)(F)F ZINC000793680152 586024860 /nfs/dbraw/zinc/02/48/60/586024860.db2.gz LDNLQVOVFSVFRI-UHFFFAOYSA-N -1 3 237.181 0.952 20 0 BCADHM O=C(CCc1cnc[nH]1)[N-]OCC(F)(F)F ZINC000793680152 586024861 /nfs/dbraw/zinc/02/48/61/586024861.db2.gz LDNLQVOVFSVFRI-UHFFFAOYSA-N -1 3 237.181 0.952 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)C(F)F)[n-]1 ZINC000793963246 586029388 /nfs/dbraw/zinc/02/93/88/586029388.db2.gz HVAYPDHXUUTKMW-UHFFFAOYSA-N -1 3 233.174 0.790 20 0 BCADHM Cc1nnc(NC([O-])=NOCC(C)(C)O)s1 ZINC000793989280 586029744 /nfs/dbraw/zinc/02/97/44/586029744.db2.gz ITSKIFRZKPZRHL-UHFFFAOYSA-N -1 3 246.292 0.671 20 0 BCADHM Cc1nnc(NC(=O)[N-]OCC(C)(C)O)s1 ZINC000793989280 586029745 /nfs/dbraw/zinc/02/97/45/586029745.db2.gz ITSKIFRZKPZRHL-UHFFFAOYSA-N -1 3 246.292 0.671 20 0 BCADHM Cc1c(CC(=O)[N-]C2=NCCS2)cnn1C ZINC000794209717 586035330 /nfs/dbraw/zinc/03/53/30/586035330.db2.gz HETORUZJVPQXHB-UHFFFAOYSA-N -1 3 238.316 0.490 20 0 BCADHM CC(C)(O)CON=C([O-])Nc1cccnn1 ZINC000794230380 586035800 /nfs/dbraw/zinc/03/58/00/586035800.db2.gz CXAKEMORLFBDKX-UHFFFAOYSA-N -1 3 226.236 0.301 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Nc1cccnn1 ZINC000794230380 586035801 /nfs/dbraw/zinc/03/58/01/586035801.db2.gz CXAKEMORLFBDKX-UHFFFAOYSA-N -1 3 226.236 0.301 20 0 BCADHM Cc1nc[nH]c1CC(=O)[N-]OCCOC(C)C ZINC000795067013 586067784 /nfs/dbraw/zinc/06/77/84/586067784.db2.gz WSBIGSFPGXNHKQ-UHFFFAOYSA-N -1 3 241.291 0.733 20 0 BCADHM Cc1[nH]cnc1CC(=O)[N-]OCCOC(C)C ZINC000795067013 586067787 /nfs/dbraw/zinc/06/77/87/586067787.db2.gz WSBIGSFPGXNHKQ-UHFFFAOYSA-N -1 3 241.291 0.733 20 0 BCADHM COCC(=O)COC(=O)c1cncc([O-])c1 ZINC000795509623 586082456 /nfs/dbraw/zinc/08/24/56/586082456.db2.gz LCAGZNLFYYMBNH-UHFFFAOYSA-N -1 3 225.200 0.160 20 0 BCADHM COCCCON=C([O-])Nc1nnc(C)s1 ZINC000796666035 586109716 /nfs/dbraw/zinc/10/97/16/586109716.db2.gz BMMYLGMTCQMVFU-UHFFFAOYSA-N -1 3 246.292 0.936 20 0 BCADHM COCCCO[N-]C(=O)Nc1nnc(C)s1 ZINC000796666035 586109717 /nfs/dbraw/zinc/10/97/17/586109717.db2.gz BMMYLGMTCQMVFU-UHFFFAOYSA-N -1 3 246.292 0.936 20 0 BCADHM O=C1[N-]C(=O)/C(=C\NCCF)c2ccccc21 ZINC000797785681 586131360 /nfs/dbraw/zinc/13/13/60/586131360.db2.gz PDGJQZNIEPHWPC-YFHOEESVSA-N -1 3 234.230 0.857 20 0 BCADHM Cc1ccc(CC(=O)[N-]OCC(C)(C)O)cn1 ZINC000798128788 586137658 /nfs/dbraw/zinc/13/76/58/586137658.db2.gz FFPOUJYSQNNQEI-UHFFFAOYSA-N -1 3 238.287 0.751 20 0 BCADHM COC/C=C\C(=O)Nc1ncccc1[O-] ZINC000798303167 586142633 /nfs/dbraw/zinc/14/26/33/586142633.db2.gz XUUWAJTVIFCJFF-HYXAFXHYSA-N -1 3 208.217 0.928 20 0 BCADHM C/C=C/C[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000859358942 589033691 /nfs/dbraw/zinc/03/36/91/589033691.db2.gz MOVCWORDJXCCSF-ONEGZZNKSA-N -1 3 249.723 0.928 20 0 BCADHM COc1ncc(CO[N-]C(C)=O)c(C)n1 ZINC000799175847 586164888 /nfs/dbraw/zinc/16/48/88/586164888.db2.gz SYHOENQHDDJGNC-UHFFFAOYSA-N -1 3 211.221 0.361 20 0 BCADHM Cc1nnc(N[C@@H](C)CO)c(-c2nnn[n-]2)c1C ZINC000103636223 586168872 /nfs/dbraw/zinc/16/88/72/586168872.db2.gz WMVIGILMXPXOIT-YFKPBYRVSA-N -1 3 249.278 0.066 20 0 BCADHM Cc1nnc(N[C@@H](C)CO)c(-c2nn[n-]n2)c1C ZINC000103636223 586168874 /nfs/dbraw/zinc/16/88/74/586168874.db2.gz WMVIGILMXPXOIT-YFKPBYRVSA-N -1 3 249.278 0.066 20 0 BCADHM Cn1cc(CCOC(=O)c2ccc([O-])cc2)nn1 ZINC000859448202 589037607 /nfs/dbraw/zinc/03/76/07/589037607.db2.gz GWMOBGKCLWSDJP-UHFFFAOYSA-N -1 3 247.254 0.920 20 0 BCADHM CCn1cnnc1[N-]C(=O)C1=CCCCO1 ZINC000803528899 586365159 /nfs/dbraw/zinc/36/51/59/586365159.db2.gz NFDPUBMRDKZMQI-UHFFFAOYSA-N -1 3 222.248 0.931 20 0 BCADHM COCCCON=C([O-])Nc1ccnc(C)n1 ZINC000806420535 586412194 /nfs/dbraw/zinc/41/21/94/586412194.db2.gz NNMQAMSLBCPXKI-UHFFFAOYSA-N -1 3 240.263 0.875 20 0 BCADHM COCCCO[N-]C(=O)Nc1ccnc(C)n1 ZINC000806420535 586412195 /nfs/dbraw/zinc/41/21/95/586412195.db2.gz NNMQAMSLBCPXKI-UHFFFAOYSA-N -1 3 240.263 0.875 20 0 BCADHM CSCCO[N-]C(=O)CCc1ncc[nH]1 ZINC000807451172 586444849 /nfs/dbraw/zinc/44/48/49/586444849.db2.gz FIZOALGPALJHDZ-UHFFFAOYSA-N -1 3 229.305 0.753 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCCC(C)C ZINC000840207067 586545554 /nfs/dbraw/zinc/54/55/54/586545554.db2.gz KPMNXWHVVLNJGT-VIFPVBQESA-N -1 3 248.348 0.830 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCCC(C)C ZINC000840207066 586545583 /nfs/dbraw/zinc/54/55/83/586545583.db2.gz KPMNXWHVVLNJGT-SECBINFHSA-N -1 3 248.348 0.830 20 0 BCADHM Cn1nncc1COC(=O)c1cncc([O-])c1 ZINC000811120348 586555397 /nfs/dbraw/zinc/55/53/97/586555397.db2.gz MPJPSCLQZAOLJD-UHFFFAOYSA-N -1 3 234.215 0.273 20 0 BCADHM COC[C@H](C)CC(=O)[N-]OCCCC(=O)OC ZINC000811560609 586561272 /nfs/dbraw/zinc/56/12/72/586561272.db2.gz YHZRGTLLUXIWLV-SECBINFHSA-N -1 3 247.291 0.660 20 0 BCADHM COC[C@@H](C)CC(=O)[N-]OCCCC(=O)OC ZINC000811560610 586561290 /nfs/dbraw/zinc/56/12/90/586561290.db2.gz YHZRGTLLUXIWLV-VIFPVBQESA-N -1 3 247.291 0.660 20 0 BCADHM CN1CC[C@H](C(=O)[N-]OC/C=C/Cl)CC1=O ZINC000812400690 586575550 /nfs/dbraw/zinc/57/55/50/586575550.db2.gz BQYKGCLMLMWFHR-KHVHVRLGSA-N -1 3 246.694 0.655 20 0 BCADHM COCCOCCC(=O)[N-]OC1CCC1 ZINC000812789452 586584730 /nfs/dbraw/zinc/58/47/30/586584730.db2.gz AFCYDQTURJMZMK-UHFFFAOYSA-N -1 3 217.265 0.640 20 0 BCADHM O=C(CCc1c[nH]cn1)[N-]OC1CCC1 ZINC000812790551 586584992 /nfs/dbraw/zinc/58/49/92/586584992.db2.gz XDRGQLBDOMWSHA-UHFFFAOYSA-N -1 3 209.249 0.943 20 0 BCADHM O=C(CCc1cnc[nH]1)[N-]OC1CCC1 ZINC000812790551 586584993 /nfs/dbraw/zinc/58/49/93/586584993.db2.gz XDRGQLBDOMWSHA-UHFFFAOYSA-N -1 3 209.249 0.943 20 0 BCADHM NC(=O)NCCCCCC(=O)[N-]OC1CCC1 ZINC000812793628 586585557 /nfs/dbraw/zinc/58/55/57/586585557.db2.gz XIBBTXFBONFSCI-UHFFFAOYSA-N -1 3 243.307 0.815 20 0 BCADHM O=C([N-]OC1CCC1)[C@@H]1CCNC(=O)C1 ZINC000812796432 586586121 /nfs/dbraw/zinc/58/61/21/586586121.db2.gz OVDZTIARHXMKAL-SSDOTTSWSA-N -1 3 212.249 0.113 20 0 BCADHM Cn1cc(C(=O)[N-]OC2CCC2)ccc1=O ZINC000812795872 586586218 /nfs/dbraw/zinc/58/62/18/586586218.db2.gz MBRJPWDCIYAQQT-UHFFFAOYSA-N -1 3 222.244 0.599 20 0 BCADHM CCN(CC)CC(=O)[N-]OCCOC(C)C ZINC000812802174 586586376 /nfs/dbraw/zinc/58/63/76/586586376.db2.gz BJGNICRUCNHLAI-UHFFFAOYSA-N -1 3 232.324 0.801 20 0 BCADHM CC(C)OCCO[N-]C(=O)C[C@@H]1CCOC1 ZINC000812804083 586586681 /nfs/dbraw/zinc/58/66/81/586586681.db2.gz AHKHIPHYNQCIOH-JTQLQIEISA-N -1 3 231.292 0.886 20 0 BCADHM CC(C)OCCON=C([O-])Nc1ccncn1 ZINC000812964061 586589230 /nfs/dbraw/zinc/58/92/30/586589230.db2.gz GINVGNVUWZHXCX-UHFFFAOYSA-N -1 3 240.263 0.955 20 0 BCADHM CC(C)OCCO[N-]C(=O)Nc1ccncn1 ZINC000812964061 586589231 /nfs/dbraw/zinc/58/92/31/586589231.db2.gz GINVGNVUWZHXCX-UHFFFAOYSA-N -1 3 240.263 0.955 20 0 BCADHM CCc1cc(C(=O)NOCCO)ccc1[O-] ZINC000813524747 586602405 /nfs/dbraw/zinc/60/24/05/586602405.db2.gz GUUNWEWAWHBOEG-UHFFFAOYSA-N -1 3 225.244 0.608 20 0 BCADHM CCO[N-]C(=O)CCc1ccnc(C)n1 ZINC000814421436 586621962 /nfs/dbraw/zinc/62/19/62/586621962.db2.gz FDBRGNJPVALRAL-UHFFFAOYSA-N -1 3 209.249 0.785 20 0 BCADHM CC(=O)C1(C(=O)[N-]C2=NCCS2)CC1 ZINC000814800411 586635566 /nfs/dbraw/zinc/63/55/66/586635566.db2.gz WQEDDQFXHFCJDQ-UHFFFAOYSA-N -1 3 212.274 0.575 20 0 BCADHM COC(=O)[C@@H]([N-]C(=O)C(C)(F)F)C1CC1 ZINC000815736122 586692834 /nfs/dbraw/zinc/69/28/34/586692834.db2.gz NAHDTWOLCWVGLW-LURJTMIESA-N -1 3 221.203 0.709 20 0 BCADHM CC(C)CO[N-]C(=O)[C@@H]1CCc2nncn2C1 ZINC000815860119 586695314 /nfs/dbraw/zinc/69/53/14/586695314.db2.gz XFZAYVNOYRJYSO-SECBINFHSA-N -1 3 238.291 0.544 20 0 BCADHM Cn1cncc1CCC(=O)[N-]OCC(C)(C)O ZINC000816381940 586722732 /nfs/dbraw/zinc/72/27/32/586722732.db2.gz ZOXXXUSMUMPYNW-UHFFFAOYSA-N -1 3 241.291 0.171 20 0 BCADHM CC(C)COCCC(=O)[N-]OCC(C)(C)O ZINC000816382871 586723124 /nfs/dbraw/zinc/72/31/24/586723124.db2.gz AYELFTLQFSOQEQ-UHFFFAOYSA-N -1 3 233.308 0.868 20 0 BCADHM CN1CCC(O[N-]C(=O)C(F)F)CC1 ZINC000816533628 586739101 /nfs/dbraw/zinc/73/91/01/586739101.db2.gz DSYYSZWVFDNXIS-UHFFFAOYSA-N -1 3 208.208 0.394 20 0 BCADHM C[C@@H]1OCC[C@H]1C(=O)[N-]OC1CCN(C)CC1 ZINC000816533606 586739511 /nfs/dbraw/zinc/73/95/11/586739511.db2.gz DBGJCYNQNIFAJG-GXSJLCMTSA-N -1 3 242.319 0.553 20 0 BCADHM CN1CCC(O[N-]C(=O)Cc2ccco2)CC1 ZINC000816533681 586739582 /nfs/dbraw/zinc/73/95/82/586739582.db2.gz GTYSBZDVGYUAGB-UHFFFAOYSA-N -1 3 238.287 0.964 20 0 BCADHM O=C(C=Cc1ccc[nH]1)[N-]c1nnc2[nH]cnn12 ZINC000816656428 586753167 /nfs/dbraw/zinc/75/31/67/586753167.db2.gz RHVUZYMIOXODFU-ARJAWSKDSA-N -1 3 243.230 0.432 20 0 BCADHM O=C(C[C@H]1CCC(=O)N1)Nc1ncccc1[O-] ZINC000816823348 586766291 /nfs/dbraw/zinc/76/62/91/586766291.db2.gz RHIPVSVZGUCTKR-SSDOTTSWSA-N -1 3 235.243 0.394 20 0 BCADHM Cc1cc(CC(=O)[N-]C2=NCCS2)on1 ZINC000816844000 586767902 /nfs/dbraw/zinc/76/79/02/586767902.db2.gz KQUKEJHTWNUQII-UHFFFAOYSA-N -1 3 225.273 0.745 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)CCCC(=O)NC ZINC000816979882 586775171 /nfs/dbraw/zinc/77/51/71/586775171.db2.gz ZDBNUJXMIHDSEN-VIFPVBQESA-N -1 3 230.308 0.997 20 0 BCADHM C[C@@H](C(=O)[N-]OCCC1CC1)N(C)C ZINC000817393344 586800434 /nfs/dbraw/zinc/80/04/34/586800434.db2.gz NWSPGWUXVXIUOH-QMMMGPOBSA-N -1 3 200.282 0.784 20 0 BCADHM CON(C)C(=O)C[N-]C(=O)C(C)(Cl)Cl ZINC000817666613 586817225 /nfs/dbraw/zinc/81/72/25/586817225.db2.gz IATLAMRJHJWZOZ-UHFFFAOYSA-N -1 3 243.090 0.316 20 0 BCADHM CC[C@@H](O)CCNC(=O)c1ccc(N)cc1[O-] ZINC000817932830 586843484 /nfs/dbraw/zinc/84/34/84/586843484.db2.gz XRGVBTHEKZCXFI-SECBINFHSA-N -1 3 238.287 0.865 20 0 BCADHM N[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)C1CCC1 ZINC000817963396 586853902 /nfs/dbraw/zinc/85/39/02/586853902.db2.gz RYOINJYIWZRGTQ-NXEZZACHSA-N -1 3 228.292 0.688 20 0 BCADHM N[C@H](C(=O)[N-]O[C@H]1CCCCO1)C1CCC1 ZINC000817963399 586854367 /nfs/dbraw/zinc/85/43/67/586854367.db2.gz RYOINJYIWZRGTQ-UWVGGRQHSA-N -1 3 228.292 0.688 20 0 BCADHM CC[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N(C)C ZINC000818132317 586875756 /nfs/dbraw/zinc/87/57/56/586875756.db2.gz QSJBMYXHHDESBJ-IUCAKERBSA-N -1 3 228.292 0.260 20 0 BCADHM CC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N(C)C ZINC000818132318 586876050 /nfs/dbraw/zinc/87/60/50/586876050.db2.gz QSJBMYXHHDESBJ-RKDXNWHRSA-N -1 3 228.292 0.260 20 0 BCADHM CN(C)C1(C(=O)NCCCC(=O)[O-])CCC1 ZINC000818375194 586889842 /nfs/dbraw/zinc/88/98/42/586889842.db2.gz XBGHRINBKQPPOP-UHFFFAOYSA-N -1 3 228.292 0.452 20 0 BCADHM COC(=O)/C(C)=C/CN(C)[C@H](C)C(=O)[O-] ZINC000818500521 586894912 /nfs/dbraw/zinc/89/49/12/586894912.db2.gz NZHYESGPLFPSOQ-WVXIBAHESA-N -1 3 215.249 0.511 20 0 BCADHM COC(=O)/C(C)=C\CN1CCC[C@@H]1C(=O)[O-] ZINC000818500698 586895365 /nfs/dbraw/zinc/89/53/65/586895365.db2.gz YMFAKJVDUAHRHN-BZJXQOFCSA-N -1 3 227.260 0.655 20 0 BCADHM COCCn1cc(CNCCC(=O)[O-])cn1 ZINC000818547400 586899595 /nfs/dbraw/zinc/89/95/95/586899595.db2.gz JCCNTJWBRBNQNS-UHFFFAOYSA-N -1 3 227.264 0.094 20 0 BCADHM CO[N-]C(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000818638557 586909021 /nfs/dbraw/zinc/90/90/21/586909021.db2.gz YBCZSTIGBHLBBK-UHFFFAOYSA-N -1 3 237.259 0.070 20 0 BCADHM O=C([O-])[C@H]1CCN(Cc2cnc3ccnn3c2)C1 ZINC000819286560 586948272 /nfs/dbraw/zinc/94/82/72/586948272.db2.gz BEZJVJLWCJFZLH-JTQLQIEISA-N -1 3 246.270 0.636 20 0 BCADHM CCOCCO[N-]C(=O)C[C@@H](C)n1cccn1 ZINC000819502254 586971120 /nfs/dbraw/zinc/97/11/20/586971120.db2.gz QSQXGGFSVOJENQ-SNVBAGLBSA-N -1 3 241.291 0.919 20 0 BCADHM CC(C)(CO)O[N-]C(=O)/C=C/[C@H]1CCCO1 ZINC000819556661 586977012 /nfs/dbraw/zinc/97/70/12/586977012.db2.gz PPGKPLOTMVMXSG-VUHVRTRXSA-N -1 3 229.276 0.540 20 0 BCADHM CC(C)(CO)O[N-]C(=O)/C=C\[C@H]1CCCO1 ZINC000819556658 586977509 /nfs/dbraw/zinc/97/75/09/586977509.db2.gz PPGKPLOTMVMXSG-SSJHQANKSA-N -1 3 229.276 0.540 20 0 BCADHM CC(=O)CCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819760073 586990130 /nfs/dbraw/zinc/99/01/30/586990130.db2.gz MMDVPVJHZUBZHJ-SSDOTTSWSA-N -1 3 214.290 0.963 20 0 BCADHM CC(=O)N[C@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819763511 586991141 /nfs/dbraw/zinc/99/11/41/586991141.db2.gz OWZNKPZVZRVMCC-NTSWFWBYSA-N -1 3 229.305 0.119 20 0 BCADHM Cc1cnn(CC(=O)[N-]C2=NC[C@@H](C)S2)c1 ZINC000819766983 586991808 /nfs/dbraw/zinc/99/18/08/586991808.db2.gz QQRAXHWXDAMOPT-MRVPVSSYSA-N -1 3 238.316 0.799 20 0 BCADHM CC(C)[C@H](O)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819777600 586993075 /nfs/dbraw/zinc/99/30/75/586993075.db2.gz KRYWXPFOPRHIMS-RQJHMYQMSA-N -1 3 216.306 0.611 20 0 BCADHM CSCC[C@H](O)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819777330 586993175 /nfs/dbraw/zinc/99/31/75/586993175.db2.gz RFEFMYVJHKVCBP-BQBZGAKWSA-N -1 3 248.373 0.708 20 0 BCADHM CC(=O)OC(C)(C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819782642 586994443 /nfs/dbraw/zinc/99/44/43/586994443.db2.gz PBZIXFAHTFFDSN-LURJTMIESA-N -1 3 244.316 0.936 20 0 BCADHM O=C(C=CC1CC1)NCCCc1cc(=O)[nH][n-]1 ZINC000819869293 586999886 /nfs/dbraw/zinc/99/98/86/586999886.db2.gz KDFNOJBGVPIXDZ-WAYWQWQTSA-N -1 3 235.287 0.725 20 0 BCADHM CC(C)(CO)CNc1ncccc1-c1nnn[n-]1 ZINC000819988091 587011457 /nfs/dbraw/zinc/01/14/57/587011457.db2.gz SKBUFRWTIFKTDA-UHFFFAOYSA-N -1 3 248.290 0.692 20 0 BCADHM CC(C)(CO)CNc1ncccc1-c1nn[n-]n1 ZINC000819988091 587011459 /nfs/dbraw/zinc/01/14/59/587011459.db2.gz SKBUFRWTIFKTDA-UHFFFAOYSA-N -1 3 248.290 0.692 20 0 BCADHM CC(C)=CC(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000820005150 587013107 /nfs/dbraw/zinc/01/31/07/587013107.db2.gz KRHWRXHBWMTWQZ-UHFFFAOYSA-N -1 3 233.235 0.252 20 0 BCADHM C[C@@H](NCc1ccnc(N(C)C)n1)C(=O)[O-] ZINC000820148564 587023156 /nfs/dbraw/zinc/02/31/56/587023156.db2.gz PBBYBZMHXZFKFO-SSDOTTSWSA-N -1 3 224.264 0.105 20 0 BCADHM C[C@@H](NCc1cccc(N(C)C)n1)C(=O)[O-] ZINC000820148615 587028345 /nfs/dbraw/zinc/02/83/45/587028345.db2.gz PUHOZYFOUPNFBA-MRVPVSSYSA-N -1 3 223.276 0.710 20 0 BCADHM C[C@H](CCCO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820242715 587037412 /nfs/dbraw/zinc/03/74/12/587037412.db2.gz PZTLZXGJUFEFBU-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@H](CCCO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820242715 587037414 /nfs/dbraw/zinc/03/74/14/587037414.db2.gz PZTLZXGJUFEFBU-MRVPVSSYSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@H](CO)N1CCN(CCCC(=O)[O-])CC1 ZINC000820278709 587040481 /nfs/dbraw/zinc/04/04/81/587040481.db2.gz WEJGWLAFPHEZPG-NSHDSACASA-N -1 3 244.335 0.240 20 0 BCADHM CCC[C@@H](C(=O)NCCCC(=O)[O-])N(C)C ZINC000820303374 587042682 /nfs/dbraw/zinc/04/26/82/587042682.db2.gz AJFGDXIVKHJJGA-VIFPVBQESA-N -1 3 230.308 0.698 20 0 BCADHM CC[C@H](C)[C@H](NCC(=O)N(C)C1CC1)C(=O)[O-] ZINC000820459832 587050080 /nfs/dbraw/zinc/05/00/80/587050080.db2.gz ZHEYTSAXOFPODZ-KWQFWETISA-N -1 3 242.319 0.696 20 0 BCADHM C[C@@H](O)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC000820474940 587050564 /nfs/dbraw/zinc/05/05/64/587050564.db2.gz WNYDWQSKMDHQQG-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](O)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC000820474940 587050565 /nfs/dbraw/zinc/05/05/65/587050565.db2.gz WNYDWQSKMDHQQG-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000820481712 587051013 /nfs/dbraw/zinc/05/10/13/587051013.db2.gz YYAGPHWVPYVNPK-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000820481712 587051014 /nfs/dbraw/zinc/05/10/14/587051014.db2.gz YYAGPHWVPYVNPK-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM CCn1nccc1CN[C@H](C)CC(=O)[O-] ZINC000820517854 587052227 /nfs/dbraw/zinc/05/22/27/587052227.db2.gz SRIHGLFMCKQHHL-MRVPVSSYSA-N -1 3 211.265 0.856 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000820523655 587052477 /nfs/dbraw/zinc/05/24/77/587052477.db2.gz PJTDTHFHXWIBGF-OPRDCNLKSA-N -1 3 240.303 0.749 20 0 BCADHM CN(CC(=O)NCC(=O)[O-])C[C@@H]1CC=CCC1 ZINC000820554250 587054355 /nfs/dbraw/zinc/05/43/55/587054355.db2.gz JSEGCMJUZLZDAP-SNVBAGLBSA-N -1 3 240.303 0.475 20 0 BCADHM CN(CC(=O)[O-])Cc1cnn2ccccc12 ZINC000820568919 587055518 /nfs/dbraw/zinc/05/55/18/587055518.db2.gz HCGDZLDSODPMTM-UHFFFAOYSA-N -1 3 219.244 0.851 20 0 BCADHM CN(CCC(=O)NCC(=O)[O-])c1ccncc1 ZINC000820580266 587056032 /nfs/dbraw/zinc/05/60/32/587056032.db2.gz ZHKYIBMVFIAUQR-UHFFFAOYSA-N -1 3 237.259 0.109 20 0 BCADHM C[C@H]1C[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820668093 587064582 /nfs/dbraw/zinc/06/45/82/587064582.db2.gz PHVGYYRJTUKXMQ-NKWVEPMBSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@H]1C[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820668093 587064584 /nfs/dbraw/zinc/06/45/84/587064584.db2.gz PHVGYYRJTUKXMQ-NKWVEPMBSA-N -1 3 246.274 0.581 20 0 BCADHM CO[C@@H](C)C(=O)OC[C@H]1CCCN1CC(=O)[O-] ZINC000820696345 587066801 /nfs/dbraw/zinc/06/68/01/587066801.db2.gz CYESESJYZYACPH-DTWKUNHWSA-N -1 3 245.275 0.114 20 0 BCADHM O=C(N[C@@H](CCO)C1CC1)c1cc(=O)[n-]cn1 ZINC000860158086 589083696 /nfs/dbraw/zinc/08/36/96/589083696.db2.gz IWQQSNNCYZXBDH-QMMMGPOBSA-N -1 3 237.259 0.073 20 0 BCADHM COc1cc(CN(C)CCC(=O)[O-])ccn1 ZINC000820763811 587071023 /nfs/dbraw/zinc/07/10/23/587071023.db2.gz CTDVCZUEIVLYJY-UHFFFAOYSA-N -1 3 224.260 0.997 20 0 BCADHM COc1cc(CN2CC[C@H](C(=O)[O-])C2)ccn1 ZINC000820763787 587071125 /nfs/dbraw/zinc/07/11/25/587071125.db2.gz AYGUOMVPECSOOF-JTQLQIEISA-N -1 3 236.271 0.997 20 0 BCADHM CC=C(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820826502 587074732 /nfs/dbraw/zinc/07/47/32/587074732.db2.gz NBXKXEFDWDNJSL-XQRVVYSFSA-N -1 3 247.262 0.505 20 0 BCADHM CC=C(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820826502 587074734 /nfs/dbraw/zinc/07/47/34/587074734.db2.gz NBXKXEFDWDNJSL-XQRVVYSFSA-N -1 3 247.262 0.505 20 0 BCADHM C/C=C(/C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820826502 587074736 /nfs/dbraw/zinc/07/47/36/587074736.db2.gz NBXKXEFDWDNJSL-XQRVVYSFSA-N -1 3 247.262 0.505 20 0 BCADHM CC=C(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820826501 587075121 /nfs/dbraw/zinc/07/51/21/587075121.db2.gz NBXKXEFDWDNJSL-GQCTYLIASA-N -1 3 247.262 0.505 20 0 BCADHM CC=C(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820826501 587075123 /nfs/dbraw/zinc/07/51/23/587075123.db2.gz NBXKXEFDWDNJSL-GQCTYLIASA-N -1 3 247.262 0.505 20 0 BCADHM C/C=C(\C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820826501 587075125 /nfs/dbraw/zinc/07/51/25/587075125.db2.gz NBXKXEFDWDNJSL-GQCTYLIASA-N -1 3 247.262 0.505 20 0 BCADHM CCC1(CC(=O)[N-]OCCN(C)C)COC1 ZINC000820996010 587086554 /nfs/dbraw/zinc/08/65/54/587086554.db2.gz ANCOGFCRJQDFBB-UHFFFAOYSA-N -1 3 230.308 0.413 20 0 BCADHM COC(OC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000821070517 587093454 /nfs/dbraw/zinc/09/34/54/587093454.db2.gz FIYJWYAINOAUAX-UHFFFAOYSA-N -1 3 243.234 0.766 20 0 BCADHM CCn1c(=O)[n-]nc1SC[C@@H]1CCC(=O)O1 ZINC000821069647 587093553 /nfs/dbraw/zinc/09/35/53/587093553.db2.gz PKJWVSMMMYLCJK-LURJTMIESA-N -1 3 243.288 0.801 20 0 BCADHM CCN(CCCO)c1ncccc1-c1nnn[n-]1 ZINC000821215116 587102289 /nfs/dbraw/zinc/10/22/89/587102289.db2.gz NVUDMTCIQUXDHW-UHFFFAOYSA-N -1 3 248.290 0.470 20 0 BCADHM CCN(CCCO)c1ncccc1-c1nn[n-]n1 ZINC000821215116 587102291 /nfs/dbraw/zinc/10/22/91/587102291.db2.gz NVUDMTCIQUXDHW-UHFFFAOYSA-N -1 3 248.290 0.470 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1C(=O)[N-]OC1CCC1 ZINC000821221529 587102600 /nfs/dbraw/zinc/10/26/00/587102600.db2.gz KLIWJUTWMCETPL-RKDXNWHRSA-N -1 3 227.260 0.786 20 0 BCADHM O=C([O-])C[C@H]1CCCN(Cn2cnnc2)C1 ZINC000821515531 587124483 /nfs/dbraw/zinc/12/44/83/587124483.db2.gz CYKUCRAOVFHKDN-SECBINFHSA-N -1 3 224.264 0.422 20 0 BCADHM O=C([O-])CCCCNCc1cncnc1 ZINC000821521411 587125331 /nfs/dbraw/zinc/12/53/31/587125331.db2.gz DWSAKDPRWXRMSF-UHFFFAOYSA-N -1 3 209.249 0.821 20 0 BCADHM O=C([O-])CCCN1CCN(CCCCO)CC1 ZINC000821524260 587125424 /nfs/dbraw/zinc/12/54/24/587125424.db2.gz YSCMRYYDBMJKRK-UHFFFAOYSA-N -1 3 244.335 0.241 20 0 BCADHM O=C([O-])CN[C@H](CO)c1ccc(F)cc1 ZINC000821533296 587126844 /nfs/dbraw/zinc/12/68/44/587126844.db2.gz DKIZJZMWMAOAOD-SECBINFHSA-N -1 3 213.208 0.533 20 0 BCADHM CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000821627196 587133448 /nfs/dbraw/zinc/13/34/48/587133448.db2.gz QWILBQWCWIHISN-UHFFFAOYSA-N -1 3 248.290 0.207 20 0 BCADHM CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000821627196 587133449 /nfs/dbraw/zinc/13/34/49/587133449.db2.gz QWILBQWCWIHISN-UHFFFAOYSA-N -1 3 248.290 0.207 20 0 BCADHM CNC(=O)COc1cc(-c2nnn[n-]2)ccc1C ZINC000821634170 587133680 /nfs/dbraw/zinc/13/36/80/587133680.db2.gz VBQOHIHWWKFGML-UHFFFAOYSA-N -1 3 247.258 0.300 20 0 BCADHM CNC(=O)COc1cc(-c2nn[n-]n2)ccc1C ZINC000821634170 587133681 /nfs/dbraw/zinc/13/36/81/587133681.db2.gz VBQOHIHWWKFGML-UHFFFAOYSA-N -1 3 247.258 0.300 20 0 BCADHM CNc1cc(-c2nnn[n-]2)ccc1OC ZINC000821637821 587133688 /nfs/dbraw/zinc/13/36/88/587133688.db2.gz VNNMQIXZLHJMQY-UHFFFAOYSA-N -1 3 205.221 0.917 20 0 BCADHM CNc1cc(-c2nn[n-]n2)ccc1OC ZINC000821637821 587133689 /nfs/dbraw/zinc/13/36/89/587133689.db2.gz VNNMQIXZLHJMQY-UHFFFAOYSA-N -1 3 205.221 0.917 20 0 BCADHM CCCCOCC(=O)[N-]c1nnnn1C1CC1 ZINC000821666678 587133973 /nfs/dbraw/zinc/13/39/73/587133973.db2.gz ZOTXCKJSSXTEHY-UHFFFAOYSA-N -1 3 239.279 0.763 20 0 BCADHM Cc1cc(CC(=O)[N-]c2nnnn2C2CC2)no1 ZINC000821667507 587133977 /nfs/dbraw/zinc/13/39/77/587133977.db2.gz NLOVIEKYCKCQFJ-UHFFFAOYSA-N -1 3 248.246 0.486 20 0 BCADHM CCOCCC(=O)[N-]c1nnnn1C1CC1 ZINC000821668492 587134205 /nfs/dbraw/zinc/13/42/05/587134205.db2.gz QTKCRBFICSZFNS-UHFFFAOYSA-N -1 3 225.252 0.373 20 0 BCADHM CC[C@@H](C)C(=O)[N-]c1nnnn1C1CC1 ZINC000821667396 587134229 /nfs/dbraw/zinc/13/42/29/587134229.db2.gz IIWJZHPPGAYSIP-ZCFIWIBFSA-N -1 3 209.253 0.993 20 0 BCADHM COCCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000821687698 587134820 /nfs/dbraw/zinc/13/48/20/587134820.db2.gz KNRMUDALGNTQCK-UHFFFAOYSA-N -1 3 234.263 0.710 20 0 BCADHM COCCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000821687698 587134821 /nfs/dbraw/zinc/13/48/21/587134821.db2.gz KNRMUDALGNTQCK-UHFFFAOYSA-N -1 3 234.263 0.710 20 0 BCADHM COC[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000821681634 587134932 /nfs/dbraw/zinc/13/49/32/587134932.db2.gz OSJDAHIGQGBHFH-MRVPVSSYSA-N -1 3 248.290 0.956 20 0 BCADHM COC[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000821681634 587134933 /nfs/dbraw/zinc/13/49/33/587134933.db2.gz OSJDAHIGQGBHFH-MRVPVSSYSA-N -1 3 248.290 0.956 20 0 BCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OC1CCC1 ZINC000822655631 587179506 /nfs/dbraw/zinc/17/95/06/587179506.db2.gz QWMUEKOVYGWOQO-UHFFFAOYSA-N -1 3 247.258 0.915 20 0 BCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OC1CCC1 ZINC000822655631 587179508 /nfs/dbraw/zinc/17/95/08/587179508.db2.gz QWMUEKOVYGWOQO-UHFFFAOYSA-N -1 3 247.258 0.915 20 0 BCADHM FCCCCn1cc(-c2nnn[n-]2)cn1 ZINC000822736356 587183027 /nfs/dbraw/zinc/18/30/27/587183027.db2.gz DMBGTXBAWVUMBA-UHFFFAOYSA-N -1 3 210.216 0.813 20 0 BCADHM FCCCCn1cc(-c2nn[n-]n2)cn1 ZINC000822736356 587183028 /nfs/dbraw/zinc/18/30/28/587183028.db2.gz DMBGTXBAWVUMBA-UHFFFAOYSA-N -1 3 210.216 0.813 20 0 BCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)CC1CCC1 ZINC000822904397 587192799 /nfs/dbraw/zinc/19/27/99/587192799.db2.gz XMMDOXIOBSWNLL-UHFFFAOYSA-N -1 3 247.262 0.476 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H](C)C(=O)NC ZINC000822999199 587197844 /nfs/dbraw/zinc/19/78/44/587197844.db2.gz JCJFSEMQOBFMJV-RXMQYKEDSA-N -1 3 208.208 0.282 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@@H](C)N(C)C ZINC000823077088 587201186 /nfs/dbraw/zinc/20/11/86/587201186.db2.gz PWCJGDLGGSBVIZ-SECBINFHSA-N -1 3 218.297 0.409 20 0 BCADHM O=C(NCCC1CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823183558 587207158 /nfs/dbraw/zinc/20/71/58/587207158.db2.gz ZJAGTLRSQFNWDW-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM O=C(NCCC1CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823183558 587207159 /nfs/dbraw/zinc/20/71/59/587207159.db2.gz ZJAGTLRSQFNWDW-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM O=C(NCCCF)c1cccc(-c2nnn[n-]2)c1 ZINC000823187250 587207487 /nfs/dbraw/zinc/20/74/87/587207487.db2.gz HVADLFDBCRWQET-UHFFFAOYSA-N -1 3 249.249 0.956 20 0 BCADHM O=C(NCCCF)c1cccc(-c2nn[n-]n2)c1 ZINC000823187250 587207488 /nfs/dbraw/zinc/20/74/88/587207488.db2.gz HVADLFDBCRWQET-UHFFFAOYSA-N -1 3 249.249 0.956 20 0 BCADHM O=C(Nc1cc[nH]n1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823299455 587214391 /nfs/dbraw/zinc/21/43/91/587214391.db2.gz YCOKXLRHQYHAMU-UHFFFAOYSA-N -1 3 244.218 0.170 20 0 BCADHM O=C(Nc1cc[nH]n1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823299455 587214393 /nfs/dbraw/zinc/21/43/93/587214393.db2.gz YCOKXLRHQYHAMU-UHFFFAOYSA-N -1 3 244.218 0.170 20 0 BCADHM CO[C@@H]1C[C@H]1C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000823306269 587215648 /nfs/dbraw/zinc/21/56/48/587215648.db2.gz MALQHOKTLLPLAC-FSDSQADBSA-N -1 3 214.290 0.629 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H](C)N(C)C ZINC000823377258 587218617 /nfs/dbraw/zinc/21/86/17/587218617.db2.gz MNCBRIKXLAQACI-BDAKNGLRSA-N -1 3 218.297 0.001 20 0 BCADHM O=C(OCC1CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823396544 587219695 /nfs/dbraw/zinc/21/96/95/587219695.db2.gz LBVQHUVTYURYMB-UHFFFAOYSA-N -1 3 233.231 0.762 20 0 BCADHM O=C(OCC1CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823396544 587219697 /nfs/dbraw/zinc/21/96/97/587219697.db2.gz LBVQHUVTYURYMB-UHFFFAOYSA-N -1 3 233.231 0.762 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1C[C@@H]1C(=O)NOCCC ZINC000823608879 587232669 /nfs/dbraw/zinc/23/26/69/587232669.db2.gz PWANWRAGLZQVJG-DTORHVGOSA-N -1 3 244.291 0.538 20 0 BCADHM CCCO[N-]C(=O)[C@H]1C[C@H]1C(=O)NOCCC ZINC000823608879 587232670 /nfs/dbraw/zinc/23/26/70/587232670.db2.gz PWANWRAGLZQVJG-DTORHVGOSA-N -1 3 244.291 0.538 20 0 BCADHM OC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823705561 587237194 /nfs/dbraw/zinc/23/71/94/587237194.db2.gz HHZVSKTYSZQANU-UHFFFAOYSA-N -1 3 246.274 0.223 20 0 BCADHM OC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823705561 587237196 /nfs/dbraw/zinc/23/71/96/587237196.db2.gz HHZVSKTYSZQANU-UHFFFAOYSA-N -1 3 246.274 0.223 20 0 BCADHM OC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000823707251 587237403 /nfs/dbraw/zinc/23/74/03/587237403.db2.gz XTBATFAVCSSZIP-SECBINFHSA-N -1 3 249.274 0.320 20 0 BCADHM OCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC000823714788 587237574 /nfs/dbraw/zinc/23/75/74/587237574.db2.gz PGPQVFLWFZUEQK-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM OCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC000823714788 587237575 /nfs/dbraw/zinc/23/75/75/587237575.db2.gz PGPQVFLWFZUEQK-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM OCCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000823722601 587238078 /nfs/dbraw/zinc/23/80/78/587238078.db2.gz SSXUMAKYEMQXRW-UHFFFAOYSA-N -1 3 237.238 0.800 20 0 BCADHM OCCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000823722601 587238080 /nfs/dbraw/zinc/23/80/80/587238080.db2.gz SSXUMAKYEMQXRW-UHFFFAOYSA-N -1 3 237.238 0.800 20 0 BCADHM c1cc(-c2nnn[n-]2)ncc1N1CCSCC1 ZINC000823747744 587238950 /nfs/dbraw/zinc/23/89/50/587238950.db2.gz JNLIUVMMOYZLBI-UHFFFAOYSA-N -1 3 248.315 0.815 20 0 BCADHM c1cc(-c2nn[n-]n2)ncc1N1CCSCC1 ZINC000823747744 587238952 /nfs/dbraw/zinc/23/89/52/587238952.db2.gz JNLIUVMMOYZLBI-UHFFFAOYSA-N -1 3 248.315 0.815 20 0 BCADHM CC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824094046 587254681 /nfs/dbraw/zinc/25/46/81/587254681.db2.gz QAQZKWNMIWMLFC-UHFFFAOYSA-N -1 3 248.290 0.971 20 0 BCADHM CC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824094046 587254682 /nfs/dbraw/zinc/25/46/82/587254682.db2.gz QAQZKWNMIWMLFC-UHFFFAOYSA-N -1 3 248.290 0.971 20 0 BCADHM CC(C)(CO)CNc1cnccc1-c1nnn[n-]1 ZINC000824162043 587258830 /nfs/dbraw/zinc/25/88/30/587258830.db2.gz BUXQCMUQJAKOLA-UHFFFAOYSA-N -1 3 248.290 0.692 20 0 BCADHM CC(C)(CO)CNc1cnccc1-c1nn[n-]n1 ZINC000824162043 587258831 /nfs/dbraw/zinc/25/88/31/587258831.db2.gz BUXQCMUQJAKOLA-UHFFFAOYSA-N -1 3 248.290 0.692 20 0 BCADHM CC(C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824191414 587260031 /nfs/dbraw/zinc/26/00/31/587260031.db2.gz DGQFOZKNDANRSX-ZETCQYMHSA-N -1 3 248.290 0.969 20 0 BCADHM CC(C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824191414 587260032 /nfs/dbraw/zinc/26/00/32/587260032.db2.gz DGQFOZKNDANRSX-ZETCQYMHSA-N -1 3 248.290 0.969 20 0 BCADHM C[C@H](CO)[C@H](C)Nc1cnccc1-c1nnn[n-]1 ZINC000824434483 587270408 /nfs/dbraw/zinc/27/04/08/587270408.db2.gz KQMLRLLWDZZNGC-SFYZADRCSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@H](CO)[C@H](C)Nc1cnccc1-c1nn[n-]n1 ZINC000824434483 587270409 /nfs/dbraw/zinc/27/04/09/587270409.db2.gz KQMLRLLWDZZNGC-SFYZADRCSA-N -1 3 248.290 0.691 20 0 BCADHM CC(C)[C@H](CO)ON=C([O-])Nc1cnn(C)c1 ZINC000824487666 587271720 /nfs/dbraw/zinc/27/17/20/587271720.db2.gz RIYBPPYQOJDWCI-VIFPVBQESA-N -1 3 242.279 0.490 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)Nc1cnn(C)c1 ZINC000824487666 587271721 /nfs/dbraw/zinc/27/17/21/587271721.db2.gz RIYBPPYQOJDWCI-VIFPVBQESA-N -1 3 242.279 0.490 20 0 BCADHM C[C@H](CC(=O)N(C)CCN(C)C)NC(=O)[O-] ZINC000824550396 587275762 /nfs/dbraw/zinc/27/57/62/587275762.db2.gz FUSNUCAQDUTGQJ-MRVPVSSYSA-N -1 3 231.296 0.053 20 0 BCADHM CC1(Cn2ccc(-c3nnn[n-]3)c2)COC1 ZINC000824832673 587289376 /nfs/dbraw/zinc/28/93/76/587289376.db2.gz VATYZHUZSPQLAK-UHFFFAOYSA-N -1 3 219.248 0.705 20 0 BCADHM CC1(Cn2ccc(-c3nn[n-]n3)c2)COC1 ZINC000824832673 587289377 /nfs/dbraw/zinc/28/93/77/587289377.db2.gz VATYZHUZSPQLAK-UHFFFAOYSA-N -1 3 219.248 0.705 20 0 BCADHM C[C@@H](CN(C)C(=O)[O-])C(=O)NC[C@H](C)N(C)C ZINC000824854107 587290707 /nfs/dbraw/zinc/29/07/07/587290707.db2.gz HBLFCAMDVKRRCR-IUCAKERBSA-N -1 3 245.323 0.299 20 0 BCADHM C[C@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824899759 587292389 /nfs/dbraw/zinc/29/23/89/587292389.db2.gz NYGAZKIISCMRRP-YLWLKBPMSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824899759 587292390 /nfs/dbraw/zinc/29/23/90/587292390.db2.gz NYGAZKIISCMRRP-YLWLKBPMSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@H](CNC(=O)[O-])N(C)CC[C@@H]1CCOC1=O ZINC000824967395 587296105 /nfs/dbraw/zinc/29/61/05/587296105.db2.gz ROCPXVPRYQMTCR-RKDXNWHRSA-N -1 3 244.291 0.528 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC000824992265 587297660 /nfs/dbraw/zinc/29/76/60/587297660.db2.gz LGXDXYPWCUKLAW-APPZFPTMSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC000824992265 587297662 /nfs/dbraw/zinc/29/76/62/587297662.db2.gz LGXDXYPWCUKLAW-APPZFPTMSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC000824999127 587298292 /nfs/dbraw/zinc/29/82/92/587298292.db2.gz COEBLQOPYQVBJW-IONNQARKSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC000824999127 587298293 /nfs/dbraw/zinc/29/82/93/587298293.db2.gz COEBLQOPYQVBJW-IONNQARKSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC000824999128 587298354 /nfs/dbraw/zinc/29/83/54/587298354.db2.gz COEBLQOPYQVBJW-VXNVDRBHSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC000824999128 587298356 /nfs/dbraw/zinc/29/83/56/587298356.db2.gz COEBLQOPYQVBJW-VXNVDRBHSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1OCC[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000825021476 587298980 /nfs/dbraw/zinc/29/89/80/587298980.db2.gz RBAMHPGPCLHHMI-CBAPKCEASA-N -1 3 246.274 0.851 20 0 BCADHM C[C@@H]1OCC[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000825021476 587298982 /nfs/dbraw/zinc/29/89/82/587298982.db2.gz RBAMHPGPCLHHMI-CBAPKCEASA-N -1 3 246.274 0.851 20 0 BCADHM C[C@H]1OCC[C@H]1Nc1cnccc1-c1nnn[n-]1 ZINC000825021446 587299055 /nfs/dbraw/zinc/29/90/55/587299055.db2.gz QRLGGUVHVFTCCD-VXNVDRBHSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@H]1OCC[C@H]1Nc1cnccc1-c1nn[n-]n1 ZINC000825021446 587299056 /nfs/dbraw/zinc/29/90/56/587299056.db2.gz QRLGGUVHVFTCCD-VXNVDRBHSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@@H]1OCC[C@@H]1Nc1cnccc1-c1nnn[n-]1 ZINC000825021444 587299161 /nfs/dbraw/zinc/29/91/61/587299161.db2.gz QRLGGUVHVFTCCD-CBAPKCEASA-N -1 3 246.274 0.851 20 0 BCADHM C[C@@H]1OCC[C@@H]1Nc1cnccc1-c1nn[n-]n1 ZINC000825021444 587299162 /nfs/dbraw/zinc/29/91/62/587299162.db2.gz QRLGGUVHVFTCCD-CBAPKCEASA-N -1 3 246.274 0.851 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cnco1)C2 ZINC000825034691 587299596 /nfs/dbraw/zinc/29/95/96/587299596.db2.gz NRUOLZCGKSGZCA-UHFFFAOYSA-N -1 3 246.226 0.635 20 0 BCADHM CC[C@H](C)NC(=O)Cn1ccc(-c2nnn[n-]2)c1 ZINC000825067470 587302090 /nfs/dbraw/zinc/30/20/90/587302090.db2.gz KLKNGSKODFHXAJ-QMMMGPOBSA-N -1 3 248.290 0.583 20 0 BCADHM CC[C@H](C)NC(=O)Cn1ccc(-c2nn[n-]n2)c1 ZINC000825067470 587302093 /nfs/dbraw/zinc/30/20/93/587302093.db2.gz KLKNGSKODFHXAJ-QMMMGPOBSA-N -1 3 248.290 0.583 20 0 BCADHM CC[C@@H](C)NC(=O)Cn1ccc(-c2nnn[n-]2)c1 ZINC000825067469 587302104 /nfs/dbraw/zinc/30/21/04/587302104.db2.gz KLKNGSKODFHXAJ-MRVPVSSYSA-N -1 3 248.290 0.583 20 0 BCADHM CC[C@@H](C)NC(=O)Cn1ccc(-c2nn[n-]n2)c1 ZINC000825067469 587302106 /nfs/dbraw/zinc/30/21/06/587302106.db2.gz KLKNGSKODFHXAJ-MRVPVSSYSA-N -1 3 248.290 0.583 20 0 BCADHM CC[C@@H](CCO)Nc1cnccc1-c1nnn[n-]1 ZINC000825115250 587305397 /nfs/dbraw/zinc/30/53/97/587305397.db2.gz VUDTUGJEQJIVRW-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@H](CCO)Nc1cnccc1-c1nn[n-]n1 ZINC000825115250 587305398 /nfs/dbraw/zinc/30/53/98/587305398.db2.gz VUDTUGJEQJIVRW-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM C[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H]1CN(C)C ZINC000825178966 587308179 /nfs/dbraw/zinc/30/81/79/587308179.db2.gz WDLZIRCTEXSCLF-DTWKUNHWSA-N -1 3 243.307 0.195 20 0 BCADHM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1CCO ZINC000825195262 587308983 /nfs/dbraw/zinc/30/89/83/587308983.db2.gz SVRKWYHHNVFRSK-RKDXNWHRSA-N -1 3 216.281 0.489 20 0 BCADHM CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000825376877 587317528 /nfs/dbraw/zinc/31/75/28/587317528.db2.gz OUIMHCIPXFOOBW-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000825376877 587317529 /nfs/dbraw/zinc/31/75/29/587317529.db2.gz OUIMHCIPXFOOBW-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825390868 587317993 /nfs/dbraw/zinc/31/79/93/587317993.db2.gz OIQQKQWHQHETOO-UHFFFAOYSA-N -1 3 220.236 0.287 20 0 BCADHM CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825390868 587317995 /nfs/dbraw/zinc/31/79/95/587317995.db2.gz OIQQKQWHQHETOO-UHFFFAOYSA-N -1 3 220.236 0.287 20 0 BCADHM C[C@H](NCCNC(=O)[O-])c1cnn(C)c1 ZINC000825495085 587321572 /nfs/dbraw/zinc/32/15/72/587321572.db2.gz AFMNOWQJOPKAMW-ZETCQYMHSA-N -1 3 212.253 0.338 20 0 BCADHM C[C@H](O)CNCc1ccc(NC(=O)[O-])nc1 ZINC000825528542 587323396 /nfs/dbraw/zinc/32/33/96/587323396.db2.gz OYFOIWXQOGVCLF-ZETCQYMHSA-N -1 3 225.248 0.642 20 0 BCADHM Nc1ccc(C(=O)NC2CCOCC2)c([O-])c1 ZINC000825542330 587324405 /nfs/dbraw/zinc/32/44/05/587324405.db2.gz ZXODNNHYVGDGJF-UHFFFAOYSA-N -1 3 236.271 0.883 20 0 BCADHM CCOCCN(C)c1cnccc1-c1nnn[n-]1 ZINC000825593891 587326554 /nfs/dbraw/zinc/32/65/54/587326554.db2.gz GNFRFHIULZDOEU-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM CCOCCN(C)c1cnccc1-c1nn[n-]n1 ZINC000825593891 587326555 /nfs/dbraw/zinc/32/65/55/587326555.db2.gz GNFRFHIULZDOEU-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM CC1(CN2CCCN(C(=O)[O-])CC2)COC1 ZINC000825743888 587336445 /nfs/dbraw/zinc/33/64/45/587336445.db2.gz IYBJCVIMRVYZFI-UHFFFAOYSA-N -1 3 228.292 0.709 20 0 BCADHM CC(=O)CCN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000825813907 587340124 /nfs/dbraw/zinc/34/01/24/587340124.db2.gz UGKMJOCVCNDFOQ-LLVKDONJSA-N -1 3 243.303 0.921 20 0 BCADHM CC(=O)CCN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000825813908 587340419 /nfs/dbraw/zinc/34/04/19/587340419.db2.gz UGKMJOCVCNDFOQ-NSHDSACASA-N -1 3 243.303 0.921 20 0 BCADHM CN(C)C1CN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000825855082 587341445 /nfs/dbraw/zinc/34/14/45/587341445.db2.gz GMHTYIIDTKKTIY-UHFFFAOYSA-N -1 3 245.290 0.012 20 0 BCADHM CN(CC1CC1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825902414 587344986 /nfs/dbraw/zinc/34/49/86/587344986.db2.gz UCVOAWIXEKMUDL-UHFFFAOYSA-N -1 3 246.274 0.677 20 0 BCADHM CN(CC1CC1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825902414 587344989 /nfs/dbraw/zinc/34/49/89/587344989.db2.gz UCVOAWIXEKMUDL-UHFFFAOYSA-N -1 3 246.274 0.677 20 0 BCADHM C[C@H]1CCCN(CCO)[C@@H]1CNC(=O)[O-] ZINC000825925465 587345398 /nfs/dbraw/zinc/34/53/98/587345398.db2.gz PWXGXHIBWIIPNF-DTWKUNHWSA-N -1 3 216.281 0.347 20 0 BCADHM CN(CCO)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825941679 587346489 /nfs/dbraw/zinc/34/64/89/587346489.db2.gz MYEKDIPTLCHLNN-UHFFFAOYSA-N -1 3 239.304 0.352 20 0 BCADHM CN(CCO)Cc1cc(-c2nn[n-]n2)cs1 ZINC000825941679 587346490 /nfs/dbraw/zinc/34/64/90/587346490.db2.gz MYEKDIPTLCHLNN-UHFFFAOYSA-N -1 3 239.304 0.352 20 0 BCADHM C[C@H]1CCN(CCNC(=O)CN(C)C(=O)[O-])C1 ZINC000825951621 587347019 /nfs/dbraw/zinc/34/70/19/587347019.db2.gz YZXKZWFRGVPUSI-VIFPVBQESA-N -1 3 243.307 0.054 20 0 BCADHM CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826067078 587350241 /nfs/dbraw/zinc/35/02/41/587350241.db2.gz ABJQANCAUSLFGM-UHFFFAOYSA-N -1 3 217.232 0.535 20 0 BCADHM CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826067078 587350242 /nfs/dbraw/zinc/35/02/42/587350242.db2.gz ABJQANCAUSLFGM-UHFFFAOYSA-N -1 3 217.232 0.535 20 0 BCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)C ZINC000826243744 587351441 /nfs/dbraw/zinc/35/14/41/587351441.db2.gz UDUGLDLLQLGIPB-UHFFFAOYSA-N -1 3 231.259 0.877 20 0 BCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)C ZINC000826243744 587351442 /nfs/dbraw/zinc/35/14/42/587351442.db2.gz UDUGLDLLQLGIPB-UHFFFAOYSA-N -1 3 231.259 0.877 20 0 BCADHM CON(C)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826166440 587351464 /nfs/dbraw/zinc/35/14/64/587351464.db2.gz KMGOBZJKWIPTOY-JTQLQIEISA-N -1 3 249.274 0.393 20 0 BCADHM CON(C)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826166440 587351465 /nfs/dbraw/zinc/35/14/65/587351465.db2.gz KMGOBZJKWIPTOY-JTQLQIEISA-N -1 3 249.274 0.393 20 0 BCADHM CON(C)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826166618 587351870 /nfs/dbraw/zinc/35/18/70/587351870.db2.gz SXJYEFIDEOEYJZ-UHFFFAOYSA-N -1 3 247.258 0.809 20 0 BCADHM CON(C)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826166618 587351871 /nfs/dbraw/zinc/35/18/71/587351871.db2.gz SXJYEFIDEOEYJZ-UHFFFAOYSA-N -1 3 247.258 0.809 20 0 BCADHM Cc1ccnc(N(C)[C@H](C)CO)c1-c1nnn[n-]1 ZINC000826309579 587352066 /nfs/dbraw/zinc/35/20/66/587352066.db2.gz UWTFHWLGKUGMMM-MRVPVSSYSA-N -1 3 248.290 0.387 20 0 BCADHM Cc1ccnc(N(C)[C@H](C)CO)c1-c1nn[n-]n1 ZINC000826309579 587352067 /nfs/dbraw/zinc/35/20/67/587352067.db2.gz UWTFHWLGKUGMMM-MRVPVSSYSA-N -1 3 248.290 0.387 20 0 BCADHM Cc1ccnc(N2CC[C@H](O)C2)c1-c1nnn[n-]1 ZINC000826312220 587352176 /nfs/dbraw/zinc/35/21/76/587352176.db2.gz YQFKDLXPJVDEHH-QMMMGPOBSA-N -1 3 246.274 0.141 20 0 BCADHM Cc1ccnc(N2CC[C@H](O)C2)c1-c1nn[n-]n1 ZINC000826312220 587352177 /nfs/dbraw/zinc/35/21/77/587352177.db2.gz YQFKDLXPJVDEHH-QMMMGPOBSA-N -1 3 246.274 0.141 20 0 BCADHM Cc1ccnc(N2CCC2)c1-c1nnn[n-]1 ZINC000826309956 587352494 /nfs/dbraw/zinc/35/24/94/587352494.db2.gz HLQIBYLWSZCEOP-UHFFFAOYSA-N -1 3 216.248 0.780 20 0 BCADHM Cc1ccnc(N2CCC2)c1-c1nn[n-]n1 ZINC000826309956 587352495 /nfs/dbraw/zinc/35/24/95/587352495.db2.gz HLQIBYLWSZCEOP-UHFFFAOYSA-N -1 3 216.248 0.780 20 0 BCADHM OCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826508456 587353025 /nfs/dbraw/zinc/35/30/25/587353025.db2.gz PQBUFJJOVDXIRV-UHFFFAOYSA-N -1 3 232.247 0.199 20 0 BCADHM OCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826508456 587353026 /nfs/dbraw/zinc/35/30/26/587353026.db2.gz PQBUFJJOVDXIRV-UHFFFAOYSA-N -1 3 232.247 0.199 20 0 BCADHM O=C(NCCC1CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826436564 587353042 /nfs/dbraw/zinc/35/30/42/587353042.db2.gz YQFZJNXBXYYQNV-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM O=C(NCCC1CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826436564 587353043 /nfs/dbraw/zinc/35/30/43/587353043.db2.gz YQFZJNXBXYYQNV-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM OCC1(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC000826508569 587353063 /nfs/dbraw/zinc/35/30/63/587353063.db2.gz UHXPWXWNYIKZSE-UHFFFAOYSA-N -1 3 232.247 0.199 20 0 BCADHM OCC1(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC000826508569 587353064 /nfs/dbraw/zinc/35/30/64/587353064.db2.gz UHXPWXWNYIKZSE-UHFFFAOYSA-N -1 3 232.247 0.199 20 0 BCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC1 ZINC000826471290 587353155 /nfs/dbraw/zinc/35/31/55/587353155.db2.gz UPNRJQAMMAKVJZ-UHFFFAOYSA-N -1 3 218.220 0.041 20 0 BCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC1 ZINC000826471290 587353156 /nfs/dbraw/zinc/35/31/56/587353156.db2.gz UPNRJQAMMAKVJZ-UHFFFAOYSA-N -1 3 218.220 0.041 20 0 BCADHM O[C@@H](CNc1cnccc1-c1nnn[n-]1)C1CC1 ZINC000826504620 587353275 /nfs/dbraw/zinc/35/32/75/587353275.db2.gz ZYMNMLLTRJYHSL-JTQLQIEISA-N -1 3 246.274 0.445 20 0 BCADHM O[C@@H](CNc1cnccc1-c1nn[n-]n1)C1CC1 ZINC000826504620 587353276 /nfs/dbraw/zinc/35/32/76/587353276.db2.gz ZYMNMLLTRJYHSL-JTQLQIEISA-N -1 3 246.274 0.445 20 0 BCADHM c1cn(C[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000826524584 587353652 /nfs/dbraw/zinc/35/36/52/587353652.db2.gz AIILNPOLGPGTTO-QMMMGPOBSA-N -1 3 219.248 0.705 20 0 BCADHM c1cn(C[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826524584 587353653 /nfs/dbraw/zinc/35/36/53/587353653.db2.gz AIILNPOLGPGTTO-QMMMGPOBSA-N -1 3 219.248 0.705 20 0 BCADHM c1cc(-c2nnn[n-]2)oc1CNCCN1CCC1 ZINC000826515229 587353740 /nfs/dbraw/zinc/35/37/40/587353740.db2.gz RKBWZSZTBAZGQR-UHFFFAOYSA-N -1 3 248.290 0.255 20 0 BCADHM OC[C@@H]1CCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000826509397 587353962 /nfs/dbraw/zinc/35/39/62/587353962.db2.gz UQDRXTUMMPHRNC-MRVPVSSYSA-N -1 3 246.274 0.080 20 0 BCADHM OC[C@@H]1CCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000826509397 587353963 /nfs/dbraw/zinc/35/39/63/587353963.db2.gz UQDRXTUMMPHRNC-MRVPVSSYSA-N -1 3 246.274 0.080 20 0 BCADHM CC[C@@H](O)CN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000826625894 587356974 /nfs/dbraw/zinc/35/69/74/587356974.db2.gz LSBHDSRNQCWNFV-DTWKUNHWSA-N -1 3 216.281 0.441 20 0 BCADHM COCCO[N-]C(=O)CCCC(=O)C1CC1 ZINC000826664881 587358450 /nfs/dbraw/zinc/35/84/50/587358450.db2.gz HIDHYLGEHUBPKZ-UHFFFAOYSA-N -1 3 229.276 0.830 20 0 BCADHM CCN(CC1CCN(CCO)CC1)C(=O)[O-] ZINC000827092828 587369850 /nfs/dbraw/zinc/36/98/50/587369850.db2.gz JHFFIHQBHZXWLO-UHFFFAOYSA-N -1 3 230.308 0.691 20 0 BCADHM CCN1C[C@@H](C)[C@@H](NC(=O)[C@H](C)NC(=O)[O-])C1 ZINC000827201706 587372645 /nfs/dbraw/zinc/37/26/45/587372645.db2.gz YFAFOKRQGASSNX-VGMNWLOBSA-N -1 3 243.307 0.099 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H](N(C)C)C1 ZINC000827255858 587374184 /nfs/dbraw/zinc/37/41/84/587374184.db2.gz HDZFNSOCENHEPZ-UWVGGRQHSA-N -1 3 242.319 0.650 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H]1CN(C)C ZINC000827258045 587374353 /nfs/dbraw/zinc/37/43/53/587374353.db2.gz WCNVDEOHFLPHQQ-VHSXEESVSA-N -1 3 242.319 0.650 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)NC[C@@H](C)N(C)C ZINC000827283368 587375244 /nfs/dbraw/zinc/37/52/44/587375244.db2.gz VMDVLNXJXCMIOG-HTQZYQBOSA-N -1 3 216.281 0.164 20 0 BCADHM C[C@H](CNC(=O)[C@@H](C)CC(=O)[O-])N1CCCC1 ZINC000827282072 587375265 /nfs/dbraw/zinc/37/52/65/587375265.db2.gz QENRVAJBPSEIGL-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)NCCN1CCC[C@H]1C ZINC000827289707 587375450 /nfs/dbraw/zinc/37/54/50/587375450.db2.gz ADBHVUHXLTXPJZ-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM CCOC[C@H](C)NC1CN(C(=O)[O-])C1 ZINC000827387582 587379135 /nfs/dbraw/zinc/37/91/35/587379135.db2.gz DTELZHKRJDIQHN-ZETCQYMHSA-N -1 3 202.254 0.363 20 0 BCADHM CC[S@](=O)CCN[C@H]1CCN(C(=O)[O-])C1 ZINC000827486931 587382827 /nfs/dbraw/zinc/38/28/27/587382827.db2.gz AKNKWZSOQJYKPY-AYVTZFPOSA-N -1 3 234.321 0.097 20 0 BCADHM CC[C@H](NC(=O)[O-])C(=O)NC1CCN(C)CC1 ZINC000827519870 587385652 /nfs/dbraw/zinc/38/56/52/587385652.db2.gz ZAJQRCBGZXNWSA-VIFPVBQESA-N -1 3 243.307 0.243 20 0 BCADHM CN(C(=O)[O-])[C@@H]1CCN(CC2(C)COC2)C1 ZINC000827883471 587407795 /nfs/dbraw/zinc/40/77/95/587407795.db2.gz YLDGQHFCNHQYGY-SECBINFHSA-N -1 3 228.292 0.707 20 0 BCADHM CN(C(=O)[O-])[C@H]1CCN(CCCCO)C1 ZINC000827890913 587408234 /nfs/dbraw/zinc/40/82/34/587408234.db2.gz WWFSGHJOSCMJOP-VIFPVBQESA-N -1 3 216.281 0.443 20 0 BCADHM CN(C(=O)[O-])[C@H]1CCN(CCC(C)(C)O)C1 ZINC000827890809 587408313 /nfs/dbraw/zinc/40/83/13/587408313.db2.gz ULMYRMJZMZBTJT-VIFPVBQESA-N -1 3 230.308 0.832 20 0 BCADHM C[C@H]1COCCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000860400193 589098532 /nfs/dbraw/zinc/09/85/32/589098532.db2.gz YCINRZSOUMPBMO-MRVPVSSYSA-N -1 3 237.259 0.291 20 0 BCADHM C[C@@]1(C(=O)[O-])CCN(CN2CCCC2=O)C1 ZINC000828028903 587417423 /nfs/dbraw/zinc/41/74/23/587417423.db2.gz HQRJDXJYLUKGJC-LLVKDONJSA-N -1 3 226.276 0.363 20 0 BCADHM C[C@@H]1CC[C@@H](C)N(CC(=O)NCCC(=O)[O-])C1 ZINC000828214353 587424315 /nfs/dbraw/zinc/42/43/15/587424315.db2.gz LIHXAMOBYUYBFI-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM CN(C[C@H]1CCCN1CCOCCO)C(=O)[O-] ZINC000828223490 587425245 /nfs/dbraw/zinc/42/52/45/587425245.db2.gz MSZYBJWTBQUTGK-SNVBAGLBSA-N -1 3 246.307 0.070 20 0 BCADHM CCCON=C([O-])Nc1ccn(CCOC)n1 ZINC000828257296 587428545 /nfs/dbraw/zinc/42/85/45/587428545.db2.gz YAUHFIYLWUZILA-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM CCCO[N-]C(=O)Nc1ccn(CCOC)n1 ZINC000828257296 587428547 /nfs/dbraw/zinc/42/85/47/587428547.db2.gz YAUHFIYLWUZILA-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N1CC[C@@H](C)[C@H]1C ZINC000828284749 587431560 /nfs/dbraw/zinc/43/15/60/587431560.db2.gz HXMMYOLDBYLUSI-HLTSFMKQSA-N -1 3 228.292 0.306 20 0 BCADHM C[C@@H]1CCN(CC(=O)NCCC(=O)[O-])[C@@H]1C ZINC000828286737 587431911 /nfs/dbraw/zinc/43/19/11/587431911.db2.gz ZGJNYPVMIJJKGH-RKDXNWHRSA-N -1 3 228.292 0.308 20 0 BCADHM CCCONC(=O)NCc1ncccc1[O-] ZINC000828318201 587434689 /nfs/dbraw/zinc/43/46/89/587434689.db2.gz KZZJYEQJVDKSLN-UHFFFAOYSA-N -1 3 225.248 0.928 20 0 BCADHM CN(CCNCC1=CCCOC1)C(=O)[O-] ZINC000828332559 587435794 /nfs/dbraw/zinc/43/57/94/587435794.db2.gz QKGWVKURLIAJDL-UHFFFAOYSA-N -1 3 214.265 0.533 20 0 BCADHM CC[C@H](C(=O)N1CC[C@@](F)(C(=O)[O-])C1)N(C)C ZINC000828586404 587451812 /nfs/dbraw/zinc/45/18/12/587451812.db2.gz FKWWEVFOENDKKX-KCJUWKMLSA-N -1 3 246.282 0.352 20 0 BCADHM COC(=O)/C(C)=C\CN(C)CCCNC(=O)[O-] ZINC000828599704 587453029 /nfs/dbraw/zinc/45/30/29/587453029.db2.gz CGUZFPYVKUSCLW-UITAMQMPSA-N -1 3 244.291 0.695 20 0 BCADHM CO[C@H](C)CN(CCNC(=O)[O-])C(C)C ZINC000828823788 587464152 /nfs/dbraw/zinc/46/41/52/587464152.db2.gz IHQNPTINUKEKFF-SECBINFHSA-N -1 3 218.297 0.999 20 0 BCADHM COC[C@H](C)N1CCC[C@H](NC(=O)[O-])C1 ZINC000828896557 587469566 /nfs/dbraw/zinc/46/95/66/587469566.db2.gz KLWONBPWDWBYNS-IUCAKERBSA-N -1 3 216.281 0.753 20 0 BCADHM CCCN(C)CC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000829458123 587497790 /nfs/dbraw/zinc/49/77/90/587497790.db2.gz JQENBFFUCXOKKW-SNVBAGLBSA-N -1 3 228.292 0.308 20 0 BCADHM CCCN(C)CC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000829459195 587498734 /nfs/dbraw/zinc/49/87/34/587498734.db2.gz VBQMCLNEODDRCY-ZJUUUORDSA-N -1 3 242.319 0.507 20 0 BCADHM CCCN(C)CC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000829458282 587498894 /nfs/dbraw/zinc/49/88/94/587498894.db2.gz MRTVHJFNLIFHGK-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM CCN(CC)CC(=O)NC(C)(C)CC(=O)[O-] ZINC000829671795 587508666 /nfs/dbraw/zinc/50/86/66/587508666.db2.gz NAXWGLJFGWMXNV-UHFFFAOYSA-N -1 3 230.308 0.698 20 0 BCADHM CCN(CC)CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000829671498 587508834 /nfs/dbraw/zinc/50/88/34/587508834.db2.gz CKELBWLCPZYUII-GFCCVEGCSA-N -1 3 242.319 0.651 20 0 BCADHM CCN(CC)CC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000829671590 587508919 /nfs/dbraw/zinc/50/89/19/587508919.db2.gz GSDNWLPFCBFJEU-JTQLQIEISA-N -1 3 242.319 0.698 20 0 BCADHM COCCO[N-]C(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC000829683033 587509369 /nfs/dbraw/zinc/50/93/69/587509369.db2.gz QSWPEBALQRTHNB-ZJUUUORDSA-N -1 3 231.292 0.886 20 0 BCADHM C[C@@H]1CCC[C@]1(C)C(=O)[N-]OCCO ZINC000829763262 587513034 /nfs/dbraw/zinc/51/30/34/587513034.db2.gz HTSHRPPYCLGMSZ-SCZZXKLOSA-N -1 3 201.266 0.853 20 0 BCADHM CCN1C[C@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC000829746206 587513085 /nfs/dbraw/zinc/51/30/85/587513085.db2.gz WGQAUFWFEJAYBR-AXTSPUMRSA-N -1 3 240.303 0.164 20 0 BCADHM CC(C)(C)C(=O)CCCC(=O)[N-]OCCO ZINC000829763436 587514094 /nfs/dbraw/zinc/51/40/94/587514094.db2.gz LGFJQNRWMSNBFM-UHFFFAOYSA-N -1 3 231.292 0.812 20 0 BCADHM CCN1CCC(NC(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000829760854 587514225 /nfs/dbraw/zinc/51/42/25/587514225.db2.gz XKPYVIVBOOYNHR-VIFPVBQESA-N -1 3 242.319 0.698 20 0 BCADHM CCOC(=O)/C=C/CN1CCC[C@H]1C(=O)[O-] ZINC000829837615 587522105 /nfs/dbraw/zinc/52/21/05/587522105.db2.gz KDDALLRLECNOME-DNQSNQRASA-N -1 3 227.260 0.655 20 0 BCADHM CCOC(=O)CCN(C)C/C=C(/C)C(=O)[O-] ZINC000829843353 587522955 /nfs/dbraw/zinc/52/29/55/587522955.db2.gz UNMXWSSSOUVZCW-UITAMQMPSA-N -1 3 229.276 0.902 20 0 BCADHM CCOc1nc(NC(=O)[C@@H](C)N(C)C)n[n-]1 ZINC000830408580 587550413 /nfs/dbraw/zinc/55/04/13/587550413.db2.gz GLZCJLDIVOPOGB-ZCFIWIBFSA-N -1 3 227.268 0.092 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H](C)N(C)C)[n-]1 ZINC000830408580 587550414 /nfs/dbraw/zinc/55/04/14/587550414.db2.gz GLZCJLDIVOPOGB-ZCFIWIBFSA-N -1 3 227.268 0.092 20 0 BCADHM CCOc1nc(NC(=O)c2nccs2)n[n-]1 ZINC000830403670 587550478 /nfs/dbraw/zinc/55/04/78/587550478.db2.gz JPHFBLUEZJNQSY-UHFFFAOYSA-N -1 3 239.260 0.912 20 0 BCADHM Cc1cccc([C@@H](O)CNCCNC(=O)[O-])c1 ZINC000830479943 587553914 /nfs/dbraw/zinc/55/39/14/587553914.db2.gz MHPOBBZTGJLTRC-NSHDSACASA-N -1 3 238.287 0.886 20 0 BCADHM O=C([N-][C@H]1C[C@@H](O)C1)C(F)(F)c1nccs1 ZINC000830555319 587557934 /nfs/dbraw/zinc/55/79/34/587557934.db2.gz UQGVFCQTLKGZJO-OLQVQODUSA-N -1 3 248.254 0.874 20 0 BCADHM CN1CCC[C@H]1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000830935279 587578249 /nfs/dbraw/zinc/57/82/49/587578249.db2.gz USUXVPWHKZSQEM-CABZTGNLSA-N -1 3 240.303 0.404 20 0 BCADHM Cn1ccc(CN[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000831018825 587582941 /nfs/dbraw/zinc/58/29/41/587582941.db2.gz RBSRJTZDKWPVKN-SNVBAGLBSA-N -1 3 223.276 0.867 20 0 BCADHM Cn1nccc1CNC1CCN(C(=O)[O-])CC1 ZINC000831058895 587584065 /nfs/dbraw/zinc/58/40/65/587584065.db2.gz NSKKUXIVTJHMQV-UHFFFAOYSA-N -1 3 238.291 0.652 20 0 BCADHM COC(=O)/C(C)=C\CN(C)C[C@H](C)C(=O)[O-] ZINC000831052769 587584323 /nfs/dbraw/zinc/58/43/23/587584323.db2.gz AKRTZAUODYOVSL-RDOCRHDPSA-N -1 3 229.276 0.758 20 0 BCADHM Cn1nccc1CNC[C@H]1CCCN1C(=O)[O-] ZINC000831059875 587584881 /nfs/dbraw/zinc/58/48/81/587584881.db2.gz ZWWOKABGSLVWEK-SNVBAGLBSA-N -1 3 238.291 0.652 20 0 BCADHM COC(=O)CCN1CCSC[C@@H]1CC(=O)[O-] ZINC000831160445 587588563 /nfs/dbraw/zinc/58/85/63/587588563.db2.gz WMSDEZJSORNVNY-QMMMGPOBSA-N -1 3 247.316 0.442 20 0 BCADHM COC[C@@H](C)N[C@@H](C(=O)[O-])c1cccnc1 ZINC000831644110 587625674 /nfs/dbraw/zinc/62/56/74/587625674.db2.gz USCUZKIPEXYEJJ-PSASIEDQSA-N -1 3 224.260 0.832 20 0 BCADHM COC[C@H](C)N[C@H](C(=O)[O-])c1cccnc1 ZINC000831644116 587625795 /nfs/dbraw/zinc/62/57/95/587625795.db2.gz USCUZKIPEXYEJJ-WPRPVWTQSA-N -1 3 224.260 0.832 20 0 BCADHM CC1=CC[C@@](C)(C(=O)[N-]OCC(N)=O)CC1 ZINC000831651875 587626174 /nfs/dbraw/zinc/62/61/74/587626174.db2.gz OSDCXAJAWQOJKF-LLVKDONJSA-N -1 3 226.276 0.656 20 0 BCADHM O=C([O-])N1CC(N[C@H]2CCCOC2)C1 ZINC000831852359 587634783 /nfs/dbraw/zinc/63/47/83/587634783.db2.gz OJUCKTHYXPMDPT-ZETCQYMHSA-N -1 3 200.238 0.117 20 0 BCADHM C[C@H](N)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000831961239 587639307 /nfs/dbraw/zinc/63/93/07/587639307.db2.gz VJKQILCLKVINJV-BYPYZUCNSA-N -1 3 215.640 0.726 20 0 BCADHM CC1(O)CC(C(=O)[N-]OC/C=C/Cl)C1 ZINC000832271836 587652943 /nfs/dbraw/zinc/65/29/43/587652943.db2.gz DFTJRSXQMDCMMD-NSCUHMNNSA-N -1 3 219.668 0.948 20 0 BCADHM O=C([O-])N[C@H]1CCN(CC[C@H]2CCOC2=O)C1 ZINC000832386914 587657266 /nfs/dbraw/zinc/65/72/66/587657266.db2.gz SFAUEECWNWQAAL-IUCAKERBSA-N -1 3 242.275 0.282 20 0 BCADHM O=C([O-])NC1CCN([C@@H]2CCOC2)CC1 ZINC000832382440 587657355 /nfs/dbraw/zinc/65/73/55/587657355.db2.gz XDBQBSZCXOEVIU-SECBINFHSA-N -1 3 214.265 0.507 20 0 BCADHM Cc1cc(C)cc(CC(=O)[N-]OCCO)c1 ZINC000832405365 587658717 /nfs/dbraw/zinc/65/87/17/587658717.db2.gz IVHTZLURSUBZNX-UHFFFAOYSA-N -1 3 223.272 0.886 20 0 BCADHM O=C(CCc1cccnc1Cl)[N-]OCCO ZINC000832412710 587658827 /nfs/dbraw/zinc/65/88/27/587658827.db2.gz UHQMYTLTLMTZSI-UHFFFAOYSA-N -1 3 244.678 0.708 20 0 BCADHM C[C@@]1(CNC(=O)c2c[n-]nn2)CCCCO1 ZINC000832501674 587664095 /nfs/dbraw/zinc/66/40/95/587664095.db2.gz LLGDNZZXUNVCDW-JTQLQIEISA-N -1 3 224.264 0.494 20 0 BCADHM C[C@@]1(CNC(=O)c2cnn[n-]2)CCCCO1 ZINC000832501674 587664096 /nfs/dbraw/zinc/66/40/96/587664096.db2.gz LLGDNZZXUNVCDW-JTQLQIEISA-N -1 3 224.264 0.494 20 0 BCADHM C[C@@]1(CNC(=O)c2cn[n-]n2)CCCCO1 ZINC000832501674 587664097 /nfs/dbraw/zinc/66/40/97/587664097.db2.gz LLGDNZZXUNVCDW-JTQLQIEISA-N -1 3 224.264 0.494 20 0 BCADHM O=C([O-])NCCN1CCC[C@H](n2ccnc2)C1 ZINC000832641947 587671910 /nfs/dbraw/zinc/67/19/10/587671910.db2.gz PDLVBZAKOPVEFS-JTQLQIEISA-N -1 3 238.291 0.788 20 0 BCADHM CC[C@H](O)CC(=O)[N-]OC/C=C\Cl ZINC000832974858 587695834 /nfs/dbraw/zinc/69/58/34/587695834.db2.gz LUCWLLBLBONPLV-AVALRIAPSA-N -1 3 207.657 0.948 20 0 BCADHM CC[C@H](O)CC(=O)[N-]OC/C=C/Cl ZINC000832974866 587696016 /nfs/dbraw/zinc/69/60/16/587696016.db2.gz LUCWLLBLBONPLV-SDLBARTOSA-N -1 3 207.657 0.948 20 0 BCADHM Cc1ncc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)cn1 ZINC000833008618 587696804 /nfs/dbraw/zinc/69/68/04/587696804.db2.gz MODOEKIXPUWRDZ-KWQFWETISA-N -1 3 235.287 0.938 20 0 BCADHM O=C([O-])CN(CCF)C1CCOCC1 ZINC000833248462 587703384 /nfs/dbraw/zinc/70/33/84/587703384.db2.gz UGUMYJCHJOUUJU-UHFFFAOYSA-N -1 3 205.229 0.522 20 0 BCADHM CC(C)(C)NC(=O)CNC1(CC(=O)[O-])CCC1 ZINC000833431917 587715050 /nfs/dbraw/zinc/71/50/50/587715050.db2.gz YSWGVAXLKFWNKL-UHFFFAOYSA-N -1 3 242.319 0.888 20 0 BCADHM CC(C)[C@H](C)N(C)CN1C[C@@H](C(=O)[O-])CC1=O ZINC000833468173 587716191 /nfs/dbraw/zinc/71/61/91/587716191.db2.gz BWVXHRXFPPVNKV-UWVGGRQHSA-N -1 3 242.319 0.853 20 0 BCADHM C[C@@H](CN(C[C@H]1CNC(=O)O1)C1CC1)C(=O)[O-] ZINC000833515971 587718298 /nfs/dbraw/zinc/71/82/98/587718298.db2.gz CBPTUHKRXLTPPN-IONNQARKSA-N -1 3 242.275 0.280 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@H](CO)C2)O1 ZINC000833581942 587721654 /nfs/dbraw/zinc/72/16/54/587721654.db2.gz AMIDCLGFXJYYSF-VHSXEESVSA-N -1 3 241.287 0.448 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@@](C)(O)C2)O1 ZINC000833583306 587721997 /nfs/dbraw/zinc/72/19/97/587721997.db2.gz JGGNPZPVJSMMFO-BXKDBHETSA-N -1 3 241.287 0.591 20 0 BCADHM C[C@H]1CCC[C@@H]1NCc1cn(CC(=O)[O-])nn1 ZINC000833609458 587723662 /nfs/dbraw/zinc/72/36/62/587723662.db2.gz SJBUJGXTPXLTKX-WPRPVWTQSA-N -1 3 238.291 0.641 20 0 BCADHM CCC[C@H](C(=O)NC[C@@H](C)C(=O)[O-])N(C)C ZINC000833647773 587726407 /nfs/dbraw/zinc/72/64/07/587726407.db2.gz KICZMPJXUIWSKX-RKDXNWHRSA-N -1 3 230.308 0.554 20 0 BCADHM CCC[C@H](C(=O)NC[C@H](C)C(=O)[O-])N(C)C ZINC000833647771 587726670 /nfs/dbraw/zinc/72/66/70/587726670.db2.gz KICZMPJXUIWSKX-DTWKUNHWSA-N -1 3 230.308 0.554 20 0 BCADHM CN(CC(C)(C)O)[C@H](C(=O)[O-])c1cccnc1 ZINC000833692727 587727825 /nfs/dbraw/zinc/72/78/25/587727825.db2.gz WWAKPJOPDFGSNZ-JTQLQIEISA-N -1 3 238.287 0.910 20 0 BCADHM CC(C)[C@H](CNC1CSC1)NC(=O)[O-] ZINC000833793448 587732537 /nfs/dbraw/zinc/73/25/37/587732537.db2.gz TXWDELDTBFSZMP-QMMMGPOBSA-N -1 3 218.322 0.984 20 0 BCADHM CC[C@](C)(CNC(=O)[O-])C(=O)NCCN(C)C ZINC000833841645 587735516 /nfs/dbraw/zinc/73/55/16/587735516.db2.gz RAOJJFFHXCBIQY-LLVKDONJSA-N -1 3 245.323 0.348 20 0 BCADHM CCNC(=O)[C@H](C)N[C@H](C)C[C@@H](C)NC(=O)[O-] ZINC000833859772 587736752 /nfs/dbraw/zinc/73/67/52/587736752.db2.gz IFUHUUVQUFXXLJ-HLTSFMKQSA-N -1 3 245.323 0.535 20 0 BCADHM CCN(CCC(=O)OC)[C@H]1CCN(C(=O)[O-])C1 ZINC000833858362 587736937 /nfs/dbraw/zinc/73/69/37/587736937.db2.gz ZDAGAVPLSKNOAA-VIFPVBQESA-N -1 3 244.291 0.624 20 0 BCADHM COC(=O)CCN1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000833878105 587737885 /nfs/dbraw/zinc/73/78/85/587737885.db2.gz DBXYGNQVZKXRAW-IUCAKERBSA-N -1 3 244.291 0.670 20 0 BCADHM O=C([O-])N1CC(CNCc2cc[nH]n2)C1 ZINC000834067485 587743749 /nfs/dbraw/zinc/74/37/49/587743749.db2.gz OFDMEVSKMFMZJT-UHFFFAOYSA-N -1 3 210.237 0.109 20 0 BCADHM O=C([O-])N1CCC[C@H]1CN(CCO)C1CC1 ZINC000834111610 587746144 /nfs/dbraw/zinc/74/61/44/587746144.db2.gz PZEBLGNVKMAYGE-JTQLQIEISA-N -1 3 228.292 0.586 20 0 BCADHM O=C([O-])NC[C@H](NC1CSC1)C1CC1 ZINC000834205067 587748583 /nfs/dbraw/zinc/74/85/83/587748583.db2.gz CCPYASBISQKSIQ-QMMMGPOBSA-N -1 3 216.306 0.738 20 0 BCADHM O=C([O-])NC[C@H](O)CN1CCCCC1 ZINC000834207067 587749010 /nfs/dbraw/zinc/74/90/10/587749010.db2.gz OYECDHGHCGGOBV-QMMMGPOBSA-N -1 3 202.254 0.101 20 0 BCADHM O=C([O-])NCCCN[C@@H](CO)c1ccccc1 ZINC000834237562 587749875 /nfs/dbraw/zinc/74/98/75/587749875.db2.gz MHKPCSXAEAYLFH-NSHDSACASA-N -1 3 238.287 0.967 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1ncccn1 ZINC000834618121 587761005 /nfs/dbraw/zinc/76/10/05/587761005.db2.gz BYCVKCLKAZDDAI-UHFFFAOYSA-N -1 3 239.275 0.228 20 0 BCADHM Cn1ncc(C(=O)[N-]OCC(C)(C)O)c1Cl ZINC000834618093 587761084 /nfs/dbraw/zinc/76/10/84/587761084.db2.gz BFFQXDAVJVKBGS-UHFFFAOYSA-N -1 3 247.682 0.506 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C[C@H]1CCCOC1 ZINC000834621511 587761208 /nfs/dbraw/zinc/76/12/08/587761208.db2.gz GISZMMSJBLUBEX-SECBINFHSA-N -1 3 231.292 0.622 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1CCSC1 ZINC000834621424 587761232 /nfs/dbraw/zinc/76/12/32/587761232.db2.gz FAXMCSJCZZJCGI-SSDOTTSWSA-N -1 3 219.306 0.558 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC000834621576 587761236 /nfs/dbraw/zinc/76/12/36/587761236.db2.gz HDSKZTNCBCLISM-KCJUWKMLSA-N -1 3 229.276 0.232 20 0 BCADHM Cc1[nH]c(=O)ccc1C(=O)[N-]OCC(C)(C)O ZINC000834621586 587761350 /nfs/dbraw/zinc/76/13/50/587761350.db2.gz HNIUQAZJFDYEDP-UHFFFAOYSA-N -1 3 240.259 0.528 20 0 BCADHM CS/C=C\C(=O)[N-]OCC(C)(C)O ZINC000834621978 587761358 /nfs/dbraw/zinc/76/13/58/587761358.db2.gz NSDUZQJHNLXRRO-PLNGDYQASA-N -1 3 205.279 0.682 20 0 BCADHM C[C@@H]1CC[C@H](C)N1CC(=O)[N-]OCC(C)(C)O ZINC000834625289 587761490 /nfs/dbraw/zinc/76/14/90/587761490.db2.gz ZYIWVNJJRUZOKX-AOOOYVTPSA-N -1 3 244.335 0.678 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C1=COCC1 ZINC000834624655 587761720 /nfs/dbraw/zinc/76/17/20/587761720.db2.gz LKGKSSACTMYGNR-UHFFFAOYSA-N -1 3 201.222 0.109 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CC1(O)CCC1 ZINC000834631283 587762144 /nfs/dbraw/zinc/76/21/44/587762144.db2.gz KJPPCTLLZAKDRL-UHFFFAOYSA-N -1 3 217.265 0.110 20 0 BCADHM CSCCO[N-]C(=O)CCc1cn(C)nn1 ZINC000834825447 587767951 /nfs/dbraw/zinc/76/79/51/587767951.db2.gz FWDKXTLZCGBLKB-UHFFFAOYSA-N -1 3 244.320 0.159 20 0 BCADHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2nncn2C)C1 ZINC000867151832 587821501 /nfs/dbraw/zinc/82/15/01/587821501.db2.gz PDMBZHGSLQNJCO-JGVFFNPUSA-N -1 3 244.320 0.282 20 0 BCADHM COc1nc(NC(=O)C2(F)CCOCC2)n[n-]1 ZINC000867153517 587822587 /nfs/dbraw/zinc/82/25/87/587822587.db2.gz FKEPZXXGVMHVGZ-UHFFFAOYSA-N -1 3 244.226 0.271 20 0 BCADHM COc1nnc(NC(=O)C2(F)CCOCC2)[n-]1 ZINC000867153517 587822588 /nfs/dbraw/zinc/82/25/88/587822588.db2.gz FKEPZXXGVMHVGZ-UHFFFAOYSA-N -1 3 244.226 0.271 20 0 BCADHM COc1n[n-]c(NC(=O)C2(F)CCOCC2)n1 ZINC000867153517 587822589 /nfs/dbraw/zinc/82/25/89/587822589.db2.gz FKEPZXXGVMHVGZ-UHFFFAOYSA-N -1 3 244.226 0.271 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1CC(=O)[N-]OC(C)(C)CO ZINC000836804371 587837582 /nfs/dbraw/zinc/83/75/82/587837582.db2.gz YHAVEFMCVOCXRA-NXEZZACHSA-N -1 3 244.335 0.678 20 0 BCADHM CCN1CCCC[C@H]1C(=O)[N-]OC(C)(C)CO ZINC000836803455 587837803 /nfs/dbraw/zinc/83/78/03/587837803.db2.gz IQKQWTUIWJUOAR-JTQLQIEISA-N -1 3 244.335 0.680 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CC1(O)CCC1 ZINC000836888367 587841320 /nfs/dbraw/zinc/84/13/20/587841320.db2.gz MDMAJDDIYSCSTP-VIFPVBQESA-N -1 3 231.292 0.356 20 0 BCADHM CCN(CC(=O)[N-]O[C@@H](CO)C(C)C)C1CC1 ZINC000836891470 587841417 /nfs/dbraw/zinc/84/14/17/587841417.db2.gz JHEHDMDRBQSFKN-NSHDSACASA-N -1 3 244.335 0.535 20 0 BCADHM CS/C=C/C(=O)[N-]O[C@@H](CO)C(C)C ZINC000836894021 587841830 /nfs/dbraw/zinc/84/18/30/587841830.db2.gz ZKBVNRUYGWSOAU-ZJELKQJVSA-N -1 3 219.306 0.928 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C[C@H]1CCCO1 ZINC000836902219 587842482 /nfs/dbraw/zinc/84/24/82/587842482.db2.gz ZGZUAJAZGOLJRE-NXEZZACHSA-N -1 3 231.292 0.620 20 0 BCADHM O=C(OC[C@H]1COCCO1)c1ccc([O-])cc1 ZINC000837338123 587867705 /nfs/dbraw/zinc/86/77/05/587867705.db2.gz XLFKJJHFUBZHHT-LLVKDONJSA-N -1 3 238.239 0.964 20 0 BCADHM O=C([N-]OCC(F)F)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000837534662 587880563 /nfs/dbraw/zinc/88/05/63/587880563.db2.gz UXEMURSJEOHEJF-RRKCRQDMSA-N -1 3 233.214 0.915 20 0 BCADHM CCc1noc([N-]Cc2cnn(CC)n2)n1 ZINC000840883873 587928097 /nfs/dbraw/zinc/92/80/97/587928097.db2.gz GLCATPZKABNCEH-UHFFFAOYSA-N -1 3 222.252 0.856 20 0 BCADHM CCNC(=O)CCCC(=O)[N-]OCC ZINC000104138147 587939253 /nfs/dbraw/zinc/93/92/53/587939253.db2.gz UIDCQORPLMFHGB-UHFFFAOYSA-N -1 3 202.254 0.361 20 0 BCADHM CCCCCS(=O)(=O)[N-][C@@H]1C[C@@H](C)OC1=O ZINC000841523141 587957782 /nfs/dbraw/zinc/95/77/82/587957782.db2.gz LMEPFGLCEBRBAR-RKDXNWHRSA-N -1 3 249.332 0.800 20 0 BCADHM CC1(C)CNCCN1C(=O)c1ccc(N)cc1[O-] ZINC000841849036 587977899 /nfs/dbraw/zinc/97/78/99/587977899.db2.gz MUVBKOBIPSQMBP-UHFFFAOYSA-N -1 3 249.314 0.798 20 0 BCADHM COC(=O)c1cnc(SCC[S@](C)=O)[n-]1 ZINC000842568772 588042895 /nfs/dbraw/zinc/04/28/95/588042895.db2.gz AQMRZHMQTBUOQX-HNNXBMFYSA-N -1 3 248.329 0.667 20 0 BCADHM CCC1([N-]S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000867332569 588135536 /nfs/dbraw/zinc/13/55/36/588135536.db2.gz UUCPFXUWGHVWLP-UHFFFAOYSA-N -1 3 240.350 0.491 20 0 BCADHM CSc1nnc(NC(=O)C2(F)CC2)[n-]1 ZINC000843780089 588139827 /nfs/dbraw/zinc/13/98/27/588139827.db2.gz WUCIBVGQOMNNEJ-UHFFFAOYSA-N -1 3 216.241 0.967 20 0 BCADHM CSc1n[n-]c(NC(=O)C2(F)CC2)n1 ZINC000843780089 588139828 /nfs/dbraw/zinc/13/98/28/588139828.db2.gz WUCIBVGQOMNNEJ-UHFFFAOYSA-N -1 3 216.241 0.967 20 0 BCADHM CSc1nc(NC(=O)C2(F)CC2)n[n-]1 ZINC000843780089 588139829 /nfs/dbraw/zinc/13/98/29/588139829.db2.gz WUCIBVGQOMNNEJ-UHFFFAOYSA-N -1 3 216.241 0.967 20 0 BCADHM CCCO[N-]C(=O)CCc1cncn1C ZINC000844087201 588164672 /nfs/dbraw/zinc/16/46/72/588164672.db2.gz IEGIWAZNZRUFEF-UHFFFAOYSA-N -1 3 211.265 0.811 20 0 BCADHM CCCO[N-]C(=O)CCCCc1c[nH]nn1 ZINC000844088359 588165765 /nfs/dbraw/zinc/16/57/65/588165765.db2.gz UEPATKZUYDPISZ-UHFFFAOYSA-N -1 3 226.280 0.975 20 0 BCADHM CC(C)O[N-]C(=O)[C@H]1CCc2cncn2C1 ZINC000844143280 588170079 /nfs/dbraw/zinc/17/00/79/588170079.db2.gz AVTSXRCDXPWIGA-VIFPVBQESA-N -1 3 223.276 0.902 20 0 BCADHM CCn1ccc(CC(=O)[N-]C2=NCCS2)n1 ZINC000844314112 588183564 /nfs/dbraw/zinc/18/35/64/588183564.db2.gz CGHXCBZNLQNWAG-UHFFFAOYSA-N -1 3 238.316 0.665 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@@]1(F)CCNC1 ZINC000844932724 588219562 /nfs/dbraw/zinc/21/95/62/588219562.db2.gz MEWYTRHQBYLEFC-SNVBAGLBSA-N -1 3 232.255 0.011 20 0 BCADHM CCC(C)(C)COC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845478140 588229853 /nfs/dbraw/zinc/22/98/53/588229853.db2.gz XAQNEJJLCNKVCU-MRVPVSSYSA-N -1 3 249.332 0.658 20 0 BCADHM C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)[N-]1)C1CCC1 ZINC000845480674 588230280 /nfs/dbraw/zinc/23/02/80/588230280.db2.gz LEWLUOXCRADHJS-CBAPKCEASA-N -1 3 247.316 0.410 20 0 BCADHM CC1(COC(=O)[C@H]2CCS(=O)(=O)[N-]2)CCC1 ZINC000845531291 588232226 /nfs/dbraw/zinc/23/22/26/588232226.db2.gz DHYSOUQNAPAZCY-MRVPVSSYSA-N -1 3 247.316 0.412 20 0 BCADHM C[C@H](COC(=O)[C@H]1CCS(=O)(=O)[N-]1)C1CC1 ZINC000845544358 588232852 /nfs/dbraw/zinc/23/28/52/588232852.db2.gz BADJRGIBTTYVNI-VXNVDRBHSA-N -1 3 247.316 0.267 20 0 BCADHM COCCO[N-]C(=O)/C=C(\C)COC ZINC000845718380 588242496 /nfs/dbraw/zinc/24/24/96/588242496.db2.gz KLTYHOPXWNFAFD-SOFGYWHQSA-N -1 3 203.238 0.273 20 0 BCADHM CCOCCO[N-]C(=O)C[C@H](C)n1ccnc1 ZINC000845958383 588251678 /nfs/dbraw/zinc/25/16/78/588251678.db2.gz MOQNIVFIPRDMNL-JTQLQIEISA-N -1 3 241.291 0.919 20 0 BCADHM CCO[N-]C(=O)CNCc1cnn(CC)c1 ZINC000846086953 588255861 /nfs/dbraw/zinc/25/58/61/588255861.db2.gz CBMAXXVTJMSGDH-UHFFFAOYSA-N -1 3 226.280 0.060 20 0 BCADHM CCO[N-]C(=O)CNCc1occc1C ZINC000846089296 588256251 /nfs/dbraw/zinc/25/62/51/588256251.db2.gz QSSPHXIJJCTETI-UHFFFAOYSA-N -1 3 212.249 0.745 20 0 BCADHM CC[C@H](C(=O)[N-]OC1CCN(C)CC1)[C@@H](C)O ZINC000846651117 588280877 /nfs/dbraw/zinc/28/08/77/588280877.db2.gz ZNJGFFZCQBSDDA-KOLCDFICSA-N -1 3 244.335 0.535 20 0 BCADHM Nc1ccc(C(=O)N2CCCCN2)c([O-])c1 ZINC000846684465 588282621 /nfs/dbraw/zinc/28/26/21/588282621.db2.gz MUTGWPSRPGZPIN-UHFFFAOYSA-N -1 3 221.260 0.715 20 0 BCADHM C[C@H](NC1CC1)C(=O)N(CC(=O)[O-])C1CCC1 ZINC000846757775 588286279 /nfs/dbraw/zinc/28/62/79/588286279.db2.gz HUXKARRPVBBFKB-QMMMGPOBSA-N -1 3 240.303 0.593 20 0 BCADHM Cc1noc(CN(C)Cc2nc(C)cc(=O)[n-]2)n1 ZINC000847091486 588306111 /nfs/dbraw/zinc/30/61/11/588306111.db2.gz HCNTWMFGBYOMRD-UHFFFAOYSA-N -1 3 249.274 0.814 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]OCC(F)F)C1 ZINC000847735895 588328168 /nfs/dbraw/zinc/32/81/68/588328168.db2.gz YDKKYXHXMGBFQM-SSDOTTSWSA-N -1 3 222.235 0.641 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]OC2CCOCC2)C1 ZINC000847753443 588328938 /nfs/dbraw/zinc/32/89/38/588328938.db2.gz GFDMGQHXHPKKEP-SNVBAGLBSA-N -1 3 242.319 0.555 20 0 BCADHM O=C(C[C@@H]1OCc2ccccc21)[N-]OCCO ZINC000847757474 588329554 /nfs/dbraw/zinc/32/95/54/588329554.db2.gz ZLESHBJYXNNEOK-NSHDSACASA-N -1 3 237.255 0.688 20 0 BCADHM COc1cnc(NC(=O)c2n[n-]nc2C)s1 ZINC000848038992 588349529 /nfs/dbraw/zinc/34/95/29/588349529.db2.gz XCFVVBDVKXZJMU-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM Cc1cc(C(=O)O[C@H]2CNOC2)ccc1[O-] ZINC000848060527 588352490 /nfs/dbraw/zinc/35/24/90/588352490.db2.gz QYYKNZMFRJAYIW-VIFPVBQESA-N -1 3 223.228 0.761 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]OCC2CC2)C1 ZINC000848129541 588359173 /nfs/dbraw/zinc/35/91/73/588359173.db2.gz UCPRMMNCRJTBGA-SECBINFHSA-N -1 3 212.293 0.786 20 0 BCADHM CC1=NC(=O)NC1C(=O)[N-]OCCC1CC1 ZINC000848129864 588359222 /nfs/dbraw/zinc/35/92/22/588359222.db2.gz YVOZJKWEWYNWFA-UHFFFAOYSA-N -1 3 225.248 0.885 20 0 BCADHM CCCO[N-]C(=O)CN1CC[C@H](C)C1 ZINC000848237739 588366436 /nfs/dbraw/zinc/36/64/36/588366436.db2.gz ASDPCTWQDUUPAU-VIFPVBQESA-N -1 3 200.282 0.786 20 0 BCADHM O=C(Cc1cncc(O)c1)[N-]OC1CCC1 ZINC000848385375 588375694 /nfs/dbraw/zinc/37/56/94/588375694.db2.gz JSLWQHDZTIPOOQ-UHFFFAOYSA-N -1 3 222.244 0.930 20 0 BCADHM O=S(=O)([N-][C@]12C[C@H]1COC2)c1ccco1 ZINC000885492743 588402264 /nfs/dbraw/zinc/40/22/64/588402264.db2.gz SJXJMHNARDZPFK-CBAPKCEASA-N -1 3 229.257 0.347 20 0 BCADHM Cc1nc(COC(=O)c2cnn[n-]2)co1 ZINC000848759307 588412584 /nfs/dbraw/zinc/41/25/84/588412584.db2.gz XCRVFQDHTLXYSU-UHFFFAOYSA-N -1 3 208.177 0.458 20 0 BCADHM Cc1nc(COC(=O)c2c[n-]nn2)co1 ZINC000848759307 588412586 /nfs/dbraw/zinc/41/25/86/588412586.db2.gz XCRVFQDHTLXYSU-UHFFFAOYSA-N -1 3 208.177 0.458 20 0 BCADHM C1=C[C@H](N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000849175056 588460217 /nfs/dbraw/zinc/46/02/17/588460217.db2.gz ZHWIFIKFWMXXFN-ZETCQYMHSA-N -1 3 201.233 0.857 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@]1(F)CCNC1 ZINC000849366353 588475925 /nfs/dbraw/zinc/47/59/25/588475925.db2.gz SRLIRTYNVKPZBT-XCBNKYQSSA-N -1 3 232.255 0.010 20 0 BCADHM N[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000849364431 588476139 /nfs/dbraw/zinc/47/61/39/588476139.db2.gz KSTNAXBNLMFUIN-AXFHLTTASA-N -1 3 248.282 0.146 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-][C@@H]2C=CCC2)c1 ZINC000849431479 588478762 /nfs/dbraw/zinc/47/87/62/588478762.db2.gz ZEARAZFDRXCDTG-SECBINFHSA-N -1 3 241.316 0.900 20 0 BCADHM CC(C)[C@H](C)OC(=O)CN1CC(=O)[N-]C1=O ZINC000849727700 588490352 /nfs/dbraw/zinc/49/03/52/588490352.db2.gz FLIOIMYEPLFXBJ-ZETCQYMHSA-N -1 3 228.248 0.126 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1cc(C)nc(C)n1 ZINC000849769410 588496191 /nfs/dbraw/zinc/49/61/91/588496191.db2.gz XPZSCBIVMURUML-UHFFFAOYSA-N -1 3 247.258 0.877 20 0 BCADHM CC(C)=CCCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000849895118 588508448 /nfs/dbraw/zinc/50/84/48/588508448.db2.gz GVXJKSDEQUQWKX-VIFPVBQESA-N -1 3 246.332 0.750 20 0 BCADHM COCCNC(=O)c1nnc2ccccc2c1[O-] ZINC000109928080 588602461 /nfs/dbraw/zinc/60/24/61/588602461.db2.gz ZZKVRBRZBBIQHW-UHFFFAOYSA-N -1 3 247.254 0.299 20 0 BCADHM Cc1cc(=O)[n-]c(CN[C@@H]2C[C@H](O)C23CCC3)n1 ZINC000852585076 588692384 /nfs/dbraw/zinc/69/23/84/588692384.db2.gz XNGRDFYRWSSHJM-ZJUUUORDSA-N -1 3 249.314 0.884 20 0 BCADHM COCCN(CCOC(F)F)CC(=O)[O-] ZINC000852725556 588698116 /nfs/dbraw/zinc/69/81/16/588698116.db2.gz JRVGPCBEXWAVCD-UHFFFAOYSA-N -1 3 227.207 0.259 20 0 BCADHM CC(C)OC[C@H](N)C(=O)[N-]OCC(F)(F)F ZINC000852816027 588705363 /nfs/dbraw/zinc/70/53/63/588705363.db2.gz HRPTUYJMOMWHEO-LURJTMIESA-N -1 3 244.213 0.349 20 0 BCADHM NCc1cc(=O)[n-]c(CNC(=O)C=CC2CC2)n1 ZINC000852918440 588713263 /nfs/dbraw/zinc/71/32/63/588713263.db2.gz BCQWEXOJQSPFRG-ARJAWSKDSA-N -1 3 248.286 0.223 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000860581340 589107738 /nfs/dbraw/zinc/10/77/38/589107738.db2.gz QCIICZGSYNGRPB-ADEWGFFLSA-N -1 3 246.266 0.105 20 0 BCADHM CCc1n[n-]c(Cl)c1C(=O)O[C@H]1CNOC1 ZINC000861659431 589173605 /nfs/dbraw/zinc/17/36/05/589173605.db2.gz GRMSPLUDRLZUBD-YFKPBYRVSA-N -1 3 245.666 0.686 20 0 BCADHM CCc1[n-]nc(Cl)c1C(=O)O[C@H]1CNOC1 ZINC000861659431 589173606 /nfs/dbraw/zinc/17/36/06/589173606.db2.gz GRMSPLUDRLZUBD-YFKPBYRVSA-N -1 3 245.666 0.686 20 0 BCADHM C[C@H](C(=O)[N-]OCC1CC1)[C@H]1CCC(=O)N1 ZINC000861823505 589179565 /nfs/dbraw/zinc/17/95/65/589179565.db2.gz JHSWWWWNFRNGAT-IONNQARKSA-N -1 3 226.276 0.359 20 0 BCADHM COC1CC(C(=O)[N-]O[C@H](CO)C(C)C)C1 ZINC000861907905 589183062 /nfs/dbraw/zinc/18/30/62/589183062.db2.gz WUISBVHDARGFPZ-UDNWOFFPSA-N -1 3 231.292 0.476 20 0 BCADHM Cc1cccc(C(=O)NC[C@H]2COCO2)c1[O-] ZINC000861965146 589185349 /nfs/dbraw/zinc/18/53/49/589185349.db2.gz NNQMDCYFULKKRQ-VIFPVBQESA-N -1 3 237.255 0.803 20 0 BCADHM Cc1ccc(C(=O)NC[C@H]2COCO2)c([O-])c1 ZINC000861975761 589187645 /nfs/dbraw/zinc/18/76/45/589187645.db2.gz REEYVSJAINAGCF-VIFPVBQESA-N -1 3 237.255 0.803 20 0 BCADHM O=C(NC[C@@H]1COCO1)c1ccc(O)cc1[O-] ZINC000861975854 589187848 /nfs/dbraw/zinc/18/78/48/589187848.db2.gz UQHRJLNPDDHSFQ-MRVPVSSYSA-N -1 3 239.227 0.201 20 0 BCADHM O=C(N[C@@H]1C=CCC1)c1cc(=O)[n-]cn1 ZINC000862172642 589193614 /nfs/dbraw/zinc/19/36/14/589193614.db2.gz DQQFTZHKWYROKJ-SSDOTTSWSA-N -1 3 205.217 0.631 20 0 BCADHM C[C@H](C(=O)[N-]OCC1CCC1)[C@H]1CCC(=O)N1 ZINC000862233541 589196486 /nfs/dbraw/zinc/19/64/86/589196486.db2.gz YHMSCFWSVCRIEW-WCBMZHEXSA-N -1 3 240.303 0.749 20 0 BCADHM Cc1ccc(C(=O)[N-]N2CCOC2=O)cn1 ZINC000862694953 589233065 /nfs/dbraw/zinc/23/30/65/589233065.db2.gz BDRCXIUZQSOFIO-UHFFFAOYSA-N -1 3 221.216 0.487 20 0 BCADHM CCn1cc(C(=O)[N-]N2CCOC2=O)c(C)n1 ZINC000862705837 589235490 /nfs/dbraw/zinc/23/54/90/589235490.db2.gz IHHSJRGRENJVTI-UHFFFAOYSA-N -1 3 238.247 0.308 20 0 BCADHM O=C([O-])[C@H]1CCN(c2ccnc(CO)c2)C1 ZINC000863732440 589313985 /nfs/dbraw/zinc/31/39/85/589313985.db2.gz VJFCIMPUSBMVBD-QMMMGPOBSA-N -1 3 222.244 0.485 20 0 BCADHM CN(CC(=O)[N-]C1=NCCS1)C1CCC1 ZINC000863851983 589323185 /nfs/dbraw/zinc/32/31/85/589323185.db2.gz DXHICNAIDHMEIE-UHFFFAOYSA-N -1 3 227.333 0.690 20 0 BCADHM COCCO[N-]C(=O)CN(C)C1CCC1 ZINC000863894954 589324260 /nfs/dbraw/zinc/32/42/60/589324260.db2.gz XTVSXGXIDQSIMQ-UHFFFAOYSA-N -1 3 216.281 0.165 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CCc1cn[nH]c1 ZINC000863923730 589327004 /nfs/dbraw/zinc/32/70/04/589327004.db2.gz DFNCMMFUCKSOKY-SNVBAGLBSA-N -1 3 241.291 0.407 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H]1C(=O)NCC1(C)C ZINC000864073742 589339439 /nfs/dbraw/zinc/33/94/39/589339439.db2.gz XLJWTHPIWAVYON-ZCFIWIBFSA-N -1 3 234.246 0.673 20 0 BCADHM CC(=O)[N-]OCC(=O)Nc1cccc(F)c1 ZINC000119932204 589348349 /nfs/dbraw/zinc/34/83/49/589348349.db2.gz JWCOREDZTLJPTQ-UHFFFAOYSA-N -1 3 226.207 0.832 20 0 BCADHM CC(=O)[N-]OCC(=O)N(C(C)C)C(C)C ZINC000119925418 589348507 /nfs/dbraw/zinc/34/85/07/589348507.db2.gz MPUPQBOKCLGNTP-UHFFFAOYSA-N -1 3 216.281 0.700 20 0 BCADHM CCO[N-]C(=O)C[C@H]1CCOC[C@@H]1OCC ZINC000864689528 589390402 /nfs/dbraw/zinc/39/04/02/589390402.db2.gz MWTBTOCIFVTJME-ZJUUUORDSA-N -1 3 231.292 0.886 20 0 BCADHM CCCn1cc(C[N-]c2nnco2)nn1 ZINC000865291060 589420209 /nfs/dbraw/zinc/42/02/09/589420209.db2.gz FRRQNRXXADMXNI-UHFFFAOYSA-N -1 3 208.225 0.683 20 0 BCADHM COCCO[N-]C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000866358931 589487898 /nfs/dbraw/zinc/48/78/98/589487898.db2.gz XGVLCGDKCCUTAT-VIFPVBQESA-N -1 3 241.291 0.522 20 0 BCADHM CCS(=O)(CC)=NS(=O)(=O)[N-]C(C)C ZINC000866368934 589488452 /nfs/dbraw/zinc/48/84/52/589488452.db2.gz ICGHSICXQMOQMZ-UHFFFAOYSA-N -1 3 242.366 0.737 20 0 BCADHM CC[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000866379636 589489115 /nfs/dbraw/zinc/48/91/15/589489115.db2.gz MIKMIUNYCLLHLJ-UHFFFAOYSA-N -1 3 226.323 0.103 20 0 BCADHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]CC(C)C ZINC000866380380 589489150 /nfs/dbraw/zinc/48/91/50/589489150.db2.gz CYYSMAKSWDLERN-CYBMUJFWSA-N -1 3 242.366 0.595 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC2CC2)nn1 ZINC000866450322 589493766 /nfs/dbraw/zinc/49/37/66/589493766.db2.gz FNXDRHYRTUNXLE-UHFFFAOYSA-N -1 3 227.289 0.473 20 0 BCADHM C=C=CC[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000867469446 589521587 /nfs/dbraw/zinc/52/15/87/589521587.db2.gz LAENXPJTCFWPKC-UHFFFAOYSA-N -1 3 247.707 0.693 20 0 BCADHM O=S(=O)([N-][C@H]1CCCC[C@H]1F)c1c[nH]cn1 ZINC000867614608 589527699 /nfs/dbraw/zinc/52/76/99/589527699.db2.gz JEGNDYYQHBYYLN-SFYZADRCSA-N -1 3 247.295 0.969 20 0 BCADHM CCOC(=O)[C@H](CC=C(C)C)[N-]S(C)(=O)=O ZINC000867759760 589533447 /nfs/dbraw/zinc/53/34/47/589533447.db2.gz RTEXPZNHGZPKIB-VIFPVBQESA-N -1 3 249.332 0.824 20 0 BCADHM CCOC(C)(C)C(=O)[N-]OC1CCN(C)CC1 ZINC000868089124 589549424 /nfs/dbraw/zinc/54/94/24/589549424.db2.gz MMNQTBBADIDMHK-UHFFFAOYSA-N -1 3 244.335 0.944 20 0 BCADHM CC/C=C(/F)C(=O)[N-]OCCN(C)C ZINC000868629666 589569259 /nfs/dbraw/zinc/56/92/59/589569259.db2.gz RLSRSLJNISDJIH-VMPITWQZSA-N -1 3 204.245 0.859 20 0 BCADHM CN1C(=O)N=CC1C(=O)[N-]OC1CCC1 ZINC000868659207 589570830 /nfs/dbraw/zinc/57/08/30/589570830.db2.gz UCSMUUCALAEYCB-UHFFFAOYSA-N -1 3 211.221 0.340 20 0 BCADHM CCC=C(F)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869021278 589585150 /nfs/dbraw/zinc/58/51/50/589585150.db2.gz DHRKTHRBOWXMNC-CLTKARDFSA-N -1 3 241.222 0.767 20 0 BCADHM CC=C(CC)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869023070 589585355 /nfs/dbraw/zinc/58/53/55/589585355.db2.gz QSACDMOVVKQRBI-CLTKARDFSA-N -1 3 237.259 0.860 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1cccc(F)n1 ZINC000123011323 589651513 /nfs/dbraw/zinc/65/15/13/589651513.db2.gz HTPIRSNRJSIQHT-UHFFFAOYSA-N -1 3 207.168 0.591 20 0 BCADHM CSCC[C@@H](N)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000123169422 589671047 /nfs/dbraw/zinc/67/10/47/589671047.db2.gz QNHHMGITMDYELP-RKDXNWHRSA-N -1 3 248.348 0.641 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NC1COC1 ZINC000870869484 589692817 /nfs/dbraw/zinc/69/28/17/589692817.db2.gz VLXSNPIWGAHQDO-UPHRSURJSA-N -1 3 220.228 0.315 20 0 BCADHM O=C([N-]C1CN(c2ccncn2)C1)C(F)F ZINC000871183362 589742879 /nfs/dbraw/zinc/74/28/79/589742879.db2.gz BUMOGEUWZJTLDR-UHFFFAOYSA-N -1 3 228.202 0.047 20 0 BCADHM CC(C)CNCc1nc2c(c(=O)[n-]1)COCC2 ZINC000208801316 589747319 /nfs/dbraw/zinc/74/73/19/589747319.db2.gz HVKOFIPGLVLDQS-UHFFFAOYSA-N -1 3 237.303 0.588 20 0 BCADHM CC(=O)[N-]O[C@@H]1CCN(C2CCC2)C1=O ZINC000871729545 589798608 /nfs/dbraw/zinc/79/86/08/589798608.db2.gz SNNQCIMUSNLXRX-SECBINFHSA-N -1 3 212.249 0.208 20 0 BCADHM CCCCCNC(=O)Cn1c([O-])c(C)oc1=O ZINC000871781671 589816413 /nfs/dbraw/zinc/81/64/13/589816413.db2.gz GEAUZSXLZZBSQM-MRVPVSSYSA-N -1 3 242.275 0.660 20 0 BCADHM CCCCCNC(=O)Cn1c([O-])c(C)oc1=O ZINC000871781672 589816501 /nfs/dbraw/zinc/81/65/01/589816501.db2.gz GEAUZSXLZZBSQM-QMMMGPOBSA-N -1 3 242.275 0.660 20 0 BCADHM CCc1noc(Cn2c([O-])c(C)oc2=O)n1 ZINC000871782685 589817204 /nfs/dbraw/zinc/81/72/04/589817204.db2.gz WHZTVMQIABOLFQ-YFKPBYRVSA-N -1 3 225.204 0.499 20 0 BCADHM Cc1oc(=O)n(CC(=O)NC2CCCC2)c1[O-] ZINC000871782403 589817332 /nfs/dbraw/zinc/81/73/32/589817332.db2.gz OMJZMXJILGBWGB-SSDOTTSWSA-N -1 3 240.259 0.413 20 0 BCADHM COC(=O)C[N-]C(=O)C(C)(Cl)Cl ZINC000123845349 589828402 /nfs/dbraw/zinc/82/84/02/589828402.db2.gz HMPQGKPRPGKVKP-UHFFFAOYSA-N -1 3 214.048 0.469 20 0 BCADHM COc1cc2c(=O)[n-]n(C)c(=O)c2cc1OC ZINC000871940888 589835821 /nfs/dbraw/zinc/83/58/21/589835821.db2.gz PMEUOFCPBWAUMT-UHFFFAOYSA-N -1 3 236.227 0.656 20 0 BCADHM Cc1c(=O)[n-]cnc1NC[C@@H](O)COC(C)C ZINC000871981334 589851964 /nfs/dbraw/zinc/85/19/64/589851964.db2.gz RZIJNCLWLBQTGK-SECBINFHSA-N -1 3 241.291 0.688 20 0 BCADHM CN1CCN(c2cc(Cl)n[n-]c2=O)CC1 ZINC000872386098 589929936 /nfs/dbraw/zinc/92/99/36/589929936.db2.gz APMIEXLAVAMYIJ-UHFFFAOYSA-N -1 3 228.683 0.587 20 0 BCADHM COC[C@](C)(O)CNc1cc(Cl)n[n-]c1=O ZINC000872451733 589939970 /nfs/dbraw/zinc/93/99/70/589939970.db2.gz PDOVKJQSDRPCGD-SECBINFHSA-N -1 3 247.682 0.645 20 0 BCADHM C[C@@H](CO)N(C)c1cc(Cl)n[n-]c1=O ZINC000872491801 589942717 /nfs/dbraw/zinc/94/27/17/589942717.db2.gz SISQHAXJWVPCPJ-YFKPBYRVSA-N -1 3 217.656 0.653 20 0 BCADHM CCN(CC(=O)NC)c1cc(Cl)n[n-]c1=O ZINC000872470365 589942803 /nfs/dbraw/zinc/94/28/03/589942803.db2.gz ARFPALKVGHQUIR-UHFFFAOYSA-N -1 3 244.682 0.408 20 0 BCADHM C[C@@]1(O)CCN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872476969 589943349 /nfs/dbraw/zinc/94/33/49/589943349.db2.gz BXMZWKSRNNFNGF-SECBINFHSA-N -1 3 229.667 0.797 20 0 BCADHM C[C@@H](Nc1cc(Cl)n[n-]c1=O)C(=O)N(C)C ZINC000872474294 589943379 /nfs/dbraw/zinc/94/33/79/589943379.db2.gz AVDLREGUTUGWEM-RXMQYKEDSA-N -1 3 244.682 0.724 20 0 BCADHM CC1(O)CN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872487775 589943664 /nfs/dbraw/zinc/94/36/64/589943664.db2.gz GLIKNENTNGGYCI-UHFFFAOYSA-N -1 3 215.640 0.407 20 0 BCADHM C[C@H]1CN(c2cc(Cl)n[n-]c2=O)C[C@@H]1O ZINC000872499836 589943959 /nfs/dbraw/zinc/94/39/59/589943959.db2.gz DTJWEKZMLFWXSN-FSPLSTOPSA-N -1 3 229.667 0.653 20 0 BCADHM O=c1[n-]nc(Cl)cc1N(CCO)C1CC1 ZINC000872481421 589944090 /nfs/dbraw/zinc/94/40/90/589944090.db2.gz YPEOUUBMFXLSFV-UHFFFAOYSA-N -1 3 229.667 0.797 20 0 BCADHM C[C@@H]1CN(c2cc(Cl)n[n-]c2=O)C[C@H]1O ZINC000872499838 589944441 /nfs/dbraw/zinc/94/44/41/589944441.db2.gz DTJWEKZMLFWXSN-IYSWYEEDSA-N -1 3 229.667 0.653 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CCCO1 ZINC000872506624 589945701 /nfs/dbraw/zinc/94/57/01/589945701.db2.gz BMVAUOSZBWDWCT-UHFFFAOYSA-N -1 3 201.613 0.977 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CC(F)C1 ZINC000872507595 589945987 /nfs/dbraw/zinc/94/59/87/589945987.db2.gz KLURUTLTFGOXQF-UHFFFAOYSA-N -1 3 203.604 0.994 20 0 BCADHM CCN(CC(N)=O)c1cc(Cl)n[n-]c1=O ZINC000872519095 589946368 /nfs/dbraw/zinc/94/63/68/589946368.db2.gz FJNCHBVYSSSTIX-UHFFFAOYSA-N -1 3 230.655 0.147 20 0 BCADHM C[C@H]1C[C@@H](O)CN1c1cc(Cl)n[n-]c1=O ZINC000872519542 589947190 /nfs/dbraw/zinc/94/71/90/589947190.db2.gz LPDZFNNWQIDPGT-NTSWFWBYSA-N -1 3 229.667 0.795 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CCN2CC[C@H]1C2 ZINC000872558334 589950421 /nfs/dbraw/zinc/95/04/21/589950421.db2.gz UNXGFDMXLGYIPT-ZETCQYMHSA-N -1 3 240.694 0.730 20 0 BCADHM CC[C@H](Nc1cc(Cl)n[n-]c1=O)C(=O)NC ZINC000872567522 589951909 /nfs/dbraw/zinc/95/19/09/589951909.db2.gz FZAUIBPFGCBCGW-YFKPBYRVSA-N -1 3 244.682 0.772 20 0 BCADHM C[C@H]1C(=O)N(C)CN1c1cc(Cl)n[n-]c1=O ZINC000872582076 589954243 /nfs/dbraw/zinc/95/42/43/589954243.db2.gz IBZUFWOAXYLSFO-YFKPBYRVSA-N -1 3 242.666 0.460 20 0 BCADHM COC(=O)[C@@]1(F)CCN([C@@H](C(=O)[O-])C2CC2)C1 ZINC000873643352 590066892 /nfs/dbraw/zinc/06/68/92/590066892.db2.gz HYBUGTJIDGCXFK-LDYMZIIASA-N -1 3 245.250 0.437 20 0 BCADHM CN1CC[C@](C)(C(=O)[N-]C2=NCCS2)C1=O ZINC000873838041 590074067 /nfs/dbraw/zinc/07/40/67/590074067.db2.gz PBKVZHYFRKWHGG-SNVBAGLBSA-N -1 3 241.316 0.074 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CC[C@@H]1C(=O)OC ZINC000873913442 590078957 /nfs/dbraw/zinc/07/89/57/590078957.db2.gz URHTWEHOCOZFIQ-RQJHMYQMSA-N -1 3 201.222 0.253 20 0 BCADHM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@@H](O)C1 ZINC000874262304 590100592 /nfs/dbraw/zinc/10/05/92/590100592.db2.gz PBACUXGVBNGVJA-HRDYMLBCSA-N -1 3 215.249 0.332 20 0 BCADHM CC[C@@H](C(=O)[N-]C1=NCCS1)N(C)C ZINC000126372849 590294607 /nfs/dbraw/zinc/29/46/07/590294607.db2.gz XVDMYVUEJDSKFF-ZETCQYMHSA-N -1 3 215.322 0.546 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc(CO)cc1 ZINC000877613434 590373518 /nfs/dbraw/zinc/37/35/18/590373518.db2.gz IODSKDMVFCNAHZ-UHFFFAOYSA-N -1 3 238.287 0.336 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CC1CC(C)C1 ZINC000877889682 590440477 /nfs/dbraw/zinc/44/04/77/590440477.db2.gz KYCAEZPBPJEUKD-MGURRDGZSA-N -1 3 246.332 0.440 20 0 BCADHM CO[N-]C(=O)CCCn1ccc(C(=O)OC)n1 ZINC000878113688 590496946 /nfs/dbraw/zinc/49/69/46/590496946.db2.gz LETPJIHHEUSRJX-UHFFFAOYSA-N -1 3 241.247 0.128 20 0 BCADHM CO[N-]C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878113699 590496991 /nfs/dbraw/zinc/49/69/91/590496991.db2.gz LJTLZWCTUMBFHG-IMTBSYHQSA-N -1 3 209.249 0.753 20 0 BCADHM CC[C@H]1CCC[C@@]1(C)C(=O)[N-]OCC(N)=O ZINC000879380845 590756491 /nfs/dbraw/zinc/75/64/91/590756491.db2.gz ZJDNWYNPVYTKBS-GZMMTYOYSA-N -1 3 228.292 0.736 20 0 BCADHM CC[C@@H]1CCC[C@]1(C)C(=O)[N-]OCC(N)=O ZINC000879380846 590757154 /nfs/dbraw/zinc/75/71/54/590757154.db2.gz ZJDNWYNPVYTKBS-KCJUWKMLSA-N -1 3 228.292 0.736 20 0 BCADHM Cn1[n-]c(CN2C[C@@H]3CC=CC[C@@H]3C2)nc1=O ZINC000879530488 590793883 /nfs/dbraw/zinc/79/38/83/590793883.db2.gz UJRWQJBEBGLWEE-AOOOYVTPSA-N -1 3 234.303 0.506 20 0 BCADHM C[C@]1([N-]C(=O)C(F)(F)F)CCN(CCO)C1 ZINC000879766118 590866354 /nfs/dbraw/zinc/86/63/54/590866354.db2.gz UUWGCMBSPABFMP-QMMMGPOBSA-N -1 3 240.225 0.122 20 0 BCADHM CCn1cnnc1[N-]C(=O)COC1CC1 ZINC000879905000 590888644 /nfs/dbraw/zinc/88/86/44/590888644.db2.gz VZHXZRIWNASMHJ-UHFFFAOYSA-N -1 3 210.237 0.416 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880516214 591083555 /nfs/dbraw/zinc/08/35/55/591083555.db2.gz GFPBEEJOFJNTQM-VDTYLAMSSA-N -1 3 239.300 0.743 20 0 BCADHM CON(C)CCNC(=O)c1c(C)cccc1[O-] ZINC000880649027 591119028 /nfs/dbraw/zinc/11/90/28/591119028.db2.gz LPDPDQBDBWFDCT-UHFFFAOYSA-N -1 3 238.287 0.924 20 0 BCADHM COCCON=C([O-])Nc1nn(C)cc1Cl ZINC000881175617 591167639 /nfs/dbraw/zinc/16/76/39/591167639.db2.gz YNJNWVVGKWUGOI-UHFFFAOYSA-N -1 3 248.670 0.773 20 0 BCADHM COCCO[N-]C(=O)Nc1nn(C)cc1Cl ZINC000881175617 591167641 /nfs/dbraw/zinc/16/76/41/591167641.db2.gz YNJNWVVGKWUGOI-UHFFFAOYSA-N -1 3 248.670 0.773 20 0 BCADHM Cn1cc(NC([O-])=NOCC2CC2)nn1 ZINC000881211764 591172720 /nfs/dbraw/zinc/17/27/20/591172720.db2.gz IMWSMDLKTIMJAM-UHFFFAOYSA-N -1 3 211.225 0.278 20 0 BCADHM Cn1cc(NC(=O)[N-]OCC2CC2)nn1 ZINC000881211764 591172722 /nfs/dbraw/zinc/17/27/22/591172722.db2.gz IMWSMDLKTIMJAM-UHFFFAOYSA-N -1 3 211.225 0.278 20 0 BCADHM CC(C)NC(=O)CCN1CC[C@H](NC(=O)[O-])C1 ZINC000738856058 605920400 /nfs/dbraw/zinc/92/04/00/605920400.db2.gz STCXVUOSLOGQTK-VIFPVBQESA-N -1 3 243.307 0.243 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@H](CF)C1 ZINC000881676614 591265326 /nfs/dbraw/zinc/26/53/26/591265326.db2.gz GERVDYISCMATNM-ZETCQYMHSA-N -1 3 225.223 0.614 20 0 BCADHM CCCCOC(=O)C[N-]S(=O)(=O)C1CCC1 ZINC000881907515 591277495 /nfs/dbraw/zinc/27/74/95/591277495.db2.gz PGKHIHVBLGGKAE-UHFFFAOYSA-N -1 3 249.332 0.802 20 0 BCADHM O=C(NC1(c2ncccn2)CCC1)c1c[n-]nn1 ZINC000881995919 591285999 /nfs/dbraw/zinc/28/59/99/591285999.db2.gz BVNACQVGLDNJKA-UHFFFAOYSA-N -1 3 244.258 0.404 20 0 BCADHM O=C(NC1(c2ncccn2)CCC1)c1cnn[n-]1 ZINC000881995919 591286001 /nfs/dbraw/zinc/28/60/01/591286001.db2.gz BVNACQVGLDNJKA-UHFFFAOYSA-N -1 3 244.258 0.404 20 0 BCADHM O=C(NC1(c2ncccn2)CCC1)c1cn[n-]n1 ZINC000881995919 591286003 /nfs/dbraw/zinc/28/60/03/591286003.db2.gz BVNACQVGLDNJKA-UHFFFAOYSA-N -1 3 244.258 0.404 20 0 BCADHM O=C(OCSc1n[n-]c(CO)n1)C1CCC1 ZINC000882158308 591308152 /nfs/dbraw/zinc/30/81/52/591308152.db2.gz QYZOMGUSKBQTAJ-UHFFFAOYSA-N -1 3 243.288 0.690 20 0 BCADHM O=C1OCC[C@H]1CCSCCc1nnn[n-]1 ZINC000882186896 591313159 /nfs/dbraw/zinc/31/31/59/591313159.db2.gz DGOIBEWJCSREKB-ZETCQYMHSA-N -1 3 242.304 0.429 20 0 BCADHM O=C1OCC[C@H]1CCSCCc1nn[n-]n1 ZINC000882186896 591313161 /nfs/dbraw/zinc/31/31/61/591313161.db2.gz DGOIBEWJCSREKB-ZETCQYMHSA-N -1 3 242.304 0.429 20 0 BCADHM CCCOC(=O)[C@@H](C)SCCc1nnn[n-]1 ZINC000882188439 591313476 /nfs/dbraw/zinc/31/34/76/591313476.db2.gz QSWHKBSMOXEJJI-SSDOTTSWSA-N -1 3 244.320 0.817 20 0 BCADHM CCCOC(=O)[C@@H](C)SCCc1nn[n-]n1 ZINC000882188439 591313479 /nfs/dbraw/zinc/31/34/79/591313479.db2.gz QSWHKBSMOXEJJI-SSDOTTSWSA-N -1 3 244.320 0.817 20 0 BCADHM C[C@H]1C[C@H]([N-]S(=O)(=O)C2CCC2)C(=O)O1 ZINC000882198201 591314073 /nfs/dbraw/zinc/31/40/73/591314073.db2.gz SGHRORVMGQUKGH-XPUUQOCRSA-N -1 3 233.289 0.162 20 0 BCADHM CC(C)N(C(=O)Cn1c([O-])coc1=O)C(C)C ZINC000882271862 591322985 /nfs/dbraw/zinc/32/29/85/591322985.db2.gz IRRGZEZGFNUMST-UHFFFAOYSA-N -1 3 242.275 0.611 20 0 BCADHM Cc1nc(Cn2c([O-])coc2=O)cs1 ZINC000882271701 591323547 /nfs/dbraw/zinc/32/35/47/591323547.db2.gz BQOJGHPZVHFSCD-UHFFFAOYSA-N -1 3 212.230 0.930 20 0 BCADHM CCOC(=O)CCCn1c([O-])coc1=O ZINC000882274446 591323745 /nfs/dbraw/zinc/32/37/45/591323745.db2.gz MZTBQLYVCSFMGA-UHFFFAOYSA-N -1 3 215.205 0.309 20 0 BCADHM CC(C)c1noc(Cn2c([O-])coc2=O)n1 ZINC000882273440 591324188 /nfs/dbraw/zinc/32/41/88/591324188.db2.gz HMOWCPSBDMLAMG-UHFFFAOYSA-N -1 3 225.204 0.672 20 0 BCADHM Cc1cnn(CCn2c([O-])coc2=O)c1 ZINC000882276425 591325072 /nfs/dbraw/zinc/32/50/72/591325072.db2.gz NMQGDYKNLWQTAG-UHFFFAOYSA-N -1 3 209.205 0.170 20 0 BCADHM CC1([N-]S(=O)(=O)c2cccnc2F)COC1 ZINC000882477754 591357212 /nfs/dbraw/zinc/35/72/12/591357212.db2.gz WTFIPRZAXNXEDM-UHFFFAOYSA-N -1 3 246.263 0.288 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]C[C@H]1C=CCC1 ZINC000882558229 591390980 /nfs/dbraw/zinc/39/09/80/591390980.db2.gz RGCCRWOIJKDWPX-QMMMGPOBSA-N -1 3 242.304 0.060 20 0 BCADHM C=C/C=C\CC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000882586802 591395045 /nfs/dbraw/zinc/39/50/45/591395045.db2.gz RTIHAJZLNUGXLD-PLNGDYQASA-N -1 3 241.316 0.831 20 0 BCADHM CONC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000025826478 591442288 /nfs/dbraw/zinc/44/22/88/591442288.db2.gz GYFCTTMOFBOLOI-UHFFFAOYSA-N -1 3 244.272 0.349 20 0 BCADHM Oc1[n-]c(N2CCC(F)CC2)nc2nncc1-2 ZINC000882807436 591446392 /nfs/dbraw/zinc/44/63/92/591446392.db2.gz VCLGMEPKTSZHJN-UHFFFAOYSA-N -1 3 237.238 0.997 20 0 BCADHM C[C@@H](CO)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095154981 598971417 /nfs/dbraw/zinc/97/14/17/598971417.db2.gz VWRQUFOXZYDNBJ-YUMQZZPRSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](CO)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095154981 598971418 /nfs/dbraw/zinc/97/14/18/598971418.db2.gz VWRQUFOXZYDNBJ-YUMQZZPRSA-N -1 3 248.290 0.691 20 0 BCADHM O=C([O-])[C@H]1CCN(CCn2ccccc2=O)C1 ZINC000214506918 591578060 /nfs/dbraw/zinc/57/80/60/591578060.db2.gz QOAMLRBCSYDWER-JTQLQIEISA-N -1 3 236.271 0.255 20 0 BCADHM CCOCCO[N-]C(=O)c1cn(C)nc1OC ZINC000883967255 591784226 /nfs/dbraw/zinc/78/42/26/591784226.db2.gz KVCLRLVLGVJZQH-UHFFFAOYSA-N -1 3 243.263 0.127 20 0 BCADHM CCCn1c(=O)[n-]nc1SCC1OCCO1 ZINC000133331493 591787622 /nfs/dbraw/zinc/78/76/22/591787622.db2.gz SJTFNXFYCMCRRR-UHFFFAOYSA-N -1 3 245.304 0.859 20 0 BCADHM O=C(O[C@H]1CCNC1=O)c1cccc2nn[n-]c21 ZINC000800207949 591839101 /nfs/dbraw/zinc/83/91/01/591839101.db2.gz JATAEGRHNJBXRL-QMMMGPOBSA-N -1 3 246.226 0.003 20 0 BCADHM O=C(O[C@H]1CCNC1=O)c1cccc2[n-]nnc21 ZINC000800207949 591839106 /nfs/dbraw/zinc/83/91/06/591839106.db2.gz JATAEGRHNJBXRL-QMMMGPOBSA-N -1 3 246.226 0.003 20 0 BCADHM O=C(O[C@H]1CCNC1=O)c1cccc2n[n-]nc21 ZINC000800207949 591839112 /nfs/dbraw/zinc/83/91/12/591839112.db2.gz JATAEGRHNJBXRL-QMMMGPOBSA-N -1 3 246.226 0.003 20 0 BCADHM Cc1cccc(C(=O)N[C@@]2(C)CCNC2=O)c1[O-] ZINC000889042583 591847962 /nfs/dbraw/zinc/84/79/62/591847962.db2.gz KFAZIXAQGACHCO-ZDUSSCGKSA-N -1 3 248.282 0.709 20 0 BCADHM COCCO[N-]C(=O)C[C@H]1CCCO1 ZINC000133751106 591853438 /nfs/dbraw/zinc/85/34/38/591853438.db2.gz WKKPNNAEIYLCGD-MRVPVSSYSA-N -1 3 203.238 0.250 20 0 BCADHM NC1(C(=O)[N-]OCC(F)(F)F)CCC1 ZINC000134360122 591920872 /nfs/dbraw/zinc/92/08/72/591920872.db2.gz UOBOUULHLGCYBQ-UHFFFAOYSA-N -1 3 212.171 0.478 20 0 BCADHM C=C/C=C\CCOC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000884567636 591983129 /nfs/dbraw/zinc/98/31/29/591983129.db2.gz OCFRATAOXBVDNZ-TYRPZCRBSA-N -1 3 245.300 0.354 20 0 BCADHM O=C(Nc1ccc(F)nc1)c1cnn[n-]1 ZINC000135105180 591987000 /nfs/dbraw/zinc/98/70/00/591987000.db2.gz KFFBQQAOXDAGJV-UHFFFAOYSA-N -1 3 207.168 0.591 20 0 BCADHM O=C(Nc1ccc(F)nc1)c1c[n-]nn1 ZINC000135105180 591987003 /nfs/dbraw/zinc/98/70/03/591987003.db2.gz KFFBQQAOXDAGJV-UHFFFAOYSA-N -1 3 207.168 0.591 20 0 BCADHM O=C(Nc1ccc(F)nc1)c1cn[n-]n1 ZINC000135105180 591987005 /nfs/dbraw/zinc/98/70/05/591987005.db2.gz KFFBQQAOXDAGJV-UHFFFAOYSA-N -1 3 207.168 0.591 20 0 BCADHM CC(=O)N1CCC[C@@H](C(=O)[N-]OCC(C)C)C1 ZINC000135340267 592008726 /nfs/dbraw/zinc/00/87/26/592008726.db2.gz JIFRGFOTYUJODC-LLVKDONJSA-N -1 3 242.319 0.949 20 0 BCADHM CC[C@H](C(N)=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000216194388 592012085 /nfs/dbraw/zinc/01/20/85/592012085.db2.gz SYXGPYIMSBUPTE-DTWKUNHWSA-N -1 3 228.292 0.437 20 0 BCADHM C[C@@H]1CCC(=O)CN1C(=O)c1cc(=O)[n-]cn1 ZINC000885071794 592045304 /nfs/dbraw/zinc/04/53/04/592045304.db2.gz KWDLALDBELZYQA-SSDOTTSWSA-N -1 3 235.243 0.376 20 0 BCADHM C[C@@H](CN(C)C)[N-]S(=O)(=O)c1ccns1 ZINC000885190016 592056923 /nfs/dbraw/zinc/05/69/23/592056923.db2.gz ZQCQQMINCVOOIH-ZETCQYMHSA-N -1 3 249.361 0.372 20 0 BCADHM CCCCN(C)S(=O)(=O)[N-]C(CF)CF ZINC000885420561 592077382 /nfs/dbraw/zinc/07/73/82/592077382.db2.gz JDZPRNSJNKQAIO-UHFFFAOYSA-N -1 3 244.307 0.860 20 0 BCADHM CC(C)[C@@H](NC(=O)c1c[n-]nn1)c1cnn(C)c1 ZINC000885433853 592077952 /nfs/dbraw/zinc/07/79/52/592077952.db2.gz KSVMPDXKZXPQNX-SNVBAGLBSA-N -1 3 248.290 0.665 20 0 BCADHM CC(C)[C@@H](NC(=O)c1cnn[n-]1)c1cnn(C)c1 ZINC000885433853 592077954 /nfs/dbraw/zinc/07/79/54/592077954.db2.gz KSVMPDXKZXPQNX-SNVBAGLBSA-N -1 3 248.290 0.665 20 0 BCADHM CC(C)[C@@H](NC(=O)c1cn[n-]n1)c1cnn(C)c1 ZINC000885433853 592077956 /nfs/dbraw/zinc/07/79/56/592077956.db2.gz KSVMPDXKZXPQNX-SNVBAGLBSA-N -1 3 248.290 0.665 20 0 BCADHM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])N(C)C1CC1 ZINC000217812277 592149641 /nfs/dbraw/zinc/14/96/41/592149641.db2.gz MBXQBEINKRSEBO-JEZHCXPESA-N -1 3 240.303 0.306 20 0 BCADHM COC(OC)C(=O)NCc1cncc([O-])c1 ZINC000886273293 592193517 /nfs/dbraw/zinc/19/35/17/592193517.db2.gz SZBULPUVEDNABZ-UHFFFAOYSA-N -1 3 226.232 0.022 20 0 BCADHM CCn1cnc(C(=O)NCc2cncc([O-])c2)c1 ZINC000886273466 592193804 /nfs/dbraw/zinc/19/38/04/592193804.db2.gz ZDFBRJRSJWFFQN-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM CC[C@H](CO)C(=O)NCc1cncc([O-])c1 ZINC000886272963 592193980 /nfs/dbraw/zinc/19/39/80/592193980.db2.gz IFVZKYVOSYXKTC-SECBINFHSA-N -1 3 224.260 0.422 20 0 BCADHM CN(C)C1(C(=O)NCc2cncc([O-])c2)CC1 ZINC000886275191 592194500 /nfs/dbraw/zinc/19/45/00/592194500.db2.gz QOQDRAASVKGCDW-UHFFFAOYSA-N -1 3 235.287 0.498 20 0 BCADHM O=CN1CCC[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886274904 592194998 /nfs/dbraw/zinc/19/49/98/592194998.db2.gz HLBIWDRAZJAVQP-NSHDSACASA-N -1 3 249.270 0.024 20 0 BCADHM O=C(/C=C\[C@@H]1CCOC1)NCc1cncc([O-])c1 ZINC000886275063 592195089 /nfs/dbraw/zinc/19/50/89/592195089.db2.gz MJDMYGACAVSEHK-JWXWKVPASA-N -1 3 248.282 0.996 20 0 BCADHM CC(C)(O)CCC(=O)NCc1cncc([O-])c1 ZINC000886276495 592196293 /nfs/dbraw/zinc/19/62/93/592196293.db2.gz KRHIHAXBJNQMJO-UHFFFAOYSA-N -1 3 238.287 0.955 20 0 BCADHM CO[C@@H](C(=O)NCc1cncc([O-])c1)C1CC1 ZINC000886276475 592196319 /nfs/dbraw/zinc/19/63/19/592196319.db2.gz JZHDEBLEYIHDSY-LLVKDONJSA-N -1 3 236.271 0.828 20 0 BCADHM C[C@H]1OCC[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886277888 592196391 /nfs/dbraw/zinc/19/63/91/592196391.db2.gz FYXJMBGUPHEVGC-LDYMZIIASA-N -1 3 236.271 0.828 20 0 BCADHM CC(C)(O)C(=O)NCc1cncc([O-])c1 ZINC000886276650 592196693 /nfs/dbraw/zinc/19/66/93/592196693.db2.gz ORPGYDHSBSDVAT-UHFFFAOYSA-N -1 3 210.233 0.174 20 0 BCADHM CC(C)(O)CC(=O)NCc1cncc([O-])c1 ZINC000886276707 592196770 /nfs/dbraw/zinc/19/67/70/592196770.db2.gz QHRWAMKHWALAPD-UHFFFAOYSA-N -1 3 224.260 0.564 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H]1CCCOC1 ZINC000886279530 592198506 /nfs/dbraw/zinc/19/85/06/592198506.db2.gz APOOISKIOYHJSC-JTQLQIEISA-N -1 3 236.271 0.830 20 0 BCADHM CO[C@@H](C)C(=O)NCc1cncc([O-])c1 ZINC000886279908 592198512 /nfs/dbraw/zinc/19/85/12/592198512.db2.gz NVITZGWQOBYBCP-ZETCQYMHSA-N -1 3 210.233 0.438 20 0 BCADHM CC(C)N(C)CC(=O)NCc1cncc([O-])c1 ZINC000886279581 592198549 /nfs/dbraw/zinc/19/85/49/592198549.db2.gz CCEZSKVQYUNBEG-UHFFFAOYSA-N -1 3 237.303 0.744 20 0 BCADHM CC[C@](C)(O)C(=O)NCc1cncc([O-])c1 ZINC000886283132 592199494 /nfs/dbraw/zinc/19/94/94/592199494.db2.gz IYPYSMMRFIOCOA-NSHDSACASA-N -1 3 224.260 0.564 20 0 BCADHM CCN(CCNC(=O)NCCC(=O)[O-])C1CC1 ZINC000219957887 592265274 /nfs/dbraw/zinc/26/52/74/592265274.db2.gz YZCUTJNROQVRKC-UHFFFAOYSA-N -1 3 243.307 0.245 20 0 BCADHM C[C@H](CC(N)=O)NCc1ccc(C(=O)[O-])o1 ZINC000220430690 592308805 /nfs/dbraw/zinc/30/88/05/592308805.db2.gz NCAXSPJXPNPWFV-ZCFIWIBFSA-N -1 3 226.232 0.331 20 0 BCADHM O=C(N[C@H]1C[C@H](CO)C1)c1cccc2nn[n-]c21 ZINC000886889750 592386685 /nfs/dbraw/zinc/38/66/85/592386685.db2.gz HFFHFCQHCBWJTK-ZKCHVHJHSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(N[C@H]1C[C@H](CO)C1)c1cccc2[n-]nnc21 ZINC000886889750 592386691 /nfs/dbraw/zinc/38/66/91/592386691.db2.gz HFFHFCQHCBWJTK-ZKCHVHJHSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(N[C@H]1C[C@H](CO)C1)c1cccc2n[n-]nc21 ZINC000886889750 592386697 /nfs/dbraw/zinc/38/66/97/592386697.db2.gz HFFHFCQHCBWJTK-ZKCHVHJHSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(N[C@H]1C[C@H](CO)C1)c1ccccc1[O-] ZINC000886898801 592392981 /nfs/dbraw/zinc/39/29/81/592392981.db2.gz REQLKVYATVIZDD-KYZUINATSA-N -1 3 221.256 0.893 20 0 BCADHM CO[C@@]1(C(=O)[N-]C2=NCCS2)CCSC1 ZINC000887914531 592558159 /nfs/dbraw/zinc/55/81/59/592558159.db2.gz MXNCPZDRLZBMJZ-VIFPVBQESA-N -1 3 246.357 0.728 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC[C@@H]1CO ZINC000889123896 592583083 /nfs/dbraw/zinc/58/30/83/592583083.db2.gz HORPGBVTTYAOKH-SECBINFHSA-N -1 3 207.229 0.599 20 0 BCADHM CCc1cnc([N-]C(=O)c2nnn(C)n2)o1 ZINC000889382234 592603364 /nfs/dbraw/zinc/60/33/64/592603364.db2.gz FMRKKYVLIGNLOJ-UHFFFAOYSA-N -1 3 222.208 0.013 20 0 BCADHM CC(C)c1cc(C(=O)[N-]c2nnn(C)n2)no1 ZINC000889628247 592634136 /nfs/dbraw/zinc/63/41/36/592634136.db2.gz HXSPHHBCAKTXQN-UHFFFAOYSA-N -1 3 236.235 0.574 20 0 BCADHM C[C@H](Cc1cccnc1)NC(=O)c1c[n-]nn1 ZINC000889659650 592639519 /nfs/dbraw/zinc/63/95/19/592639519.db2.gz KKRVQJGUCQEOCQ-MRVPVSSYSA-N -1 3 231.259 0.561 20 0 BCADHM C[C@H](Cc1cccnc1)NC(=O)c1cnn[n-]1 ZINC000889659650 592639522 /nfs/dbraw/zinc/63/95/22/592639522.db2.gz KKRVQJGUCQEOCQ-MRVPVSSYSA-N -1 3 231.259 0.561 20 0 BCADHM C[C@H](Cc1cccnc1)NC(=O)c1cn[n-]n1 ZINC000889659650 592639526 /nfs/dbraw/zinc/63/95/26/592639526.db2.gz KKRVQJGUCQEOCQ-MRVPVSSYSA-N -1 3 231.259 0.561 20 0 BCADHM O=C(Nc1ccnn1C1CC1)c1cnn[n-]1 ZINC000889691227 592645471 /nfs/dbraw/zinc/64/54/71/592645471.db2.gz CBJFBIDYTDMWQA-UHFFFAOYSA-N -1 3 218.220 0.588 20 0 BCADHM O=C(Nc1ccnn1C1CC1)c1c[n-]nn1 ZINC000889691227 592645472 /nfs/dbraw/zinc/64/54/72/592645472.db2.gz CBJFBIDYTDMWQA-UHFFFAOYSA-N -1 3 218.220 0.588 20 0 BCADHM O=C(Nc1ccnn1C1CC1)c1cn[n-]n1 ZINC000889691227 592645474 /nfs/dbraw/zinc/64/54/74/592645474.db2.gz CBJFBIDYTDMWQA-UHFFFAOYSA-N -1 3 218.220 0.588 20 0 BCADHM Cc1nnc(C[N-]C(=O)C(C)(Cl)Cl)[nH]1 ZINC000889704304 592649857 /nfs/dbraw/zinc/64/98/57/592649857.db2.gz KOLPYNHEATXVCB-UHFFFAOYSA-N -1 3 237.090 0.923 20 0 BCADHM C[C@H](CN(C)[C@H](C)C(=O)[O-])CS(C)(=O)=O ZINC000381039348 596977667 /nfs/dbraw/zinc/97/76/67/596977667.db2.gz DIXLRUMLKFRIMR-HTQZYQBOSA-N -1 3 237.321 0.072 20 0 BCADHM CCCN(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000054262653 596982773 /nfs/dbraw/zinc/98/27/73/596982773.db2.gz QRDIHMSTGORXDC-UHFFFAOYSA-N -1 3 242.319 0.651 20 0 BCADHM C=CCNC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000037933124 596997328 /nfs/dbraw/zinc/99/73/28/596997328.db2.gz YQTFUOGOXYXGNC-MRVPVSSYSA-N -1 3 214.265 0.084 20 0 BCADHM CC[C@@H](C)NC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000037933143 597001951 /nfs/dbraw/zinc/00/19/51/597001951.db2.gz MOHGHCIIQVTKTD-RKDXNWHRSA-N -1 3 230.308 0.696 20 0 BCADHM CC(C)N(C)CC(=O)N(C)CCC(=O)[O-] ZINC000379877404 597010832 /nfs/dbraw/zinc/01/08/32/597010832.db2.gz AUXIKHVWSLHJDK-UHFFFAOYSA-N -1 3 216.281 0.260 20 0 BCADHM COCc1ccc(CNCCC(=O)[O-])o1 ZINC000394593779 597228571 /nfs/dbraw/zinc/22/85/71/597228571.db2.gz AJBNEAPZSBRPGH-UHFFFAOYSA-N -1 3 213.233 0.990 20 0 BCADHM CC(C)N(CCN(C)C)C(=O)NCCC(=O)[O-] ZINC000708495288 597362442 /nfs/dbraw/zinc/36/24/42/597362442.db2.gz DUMDYCBZNNAMOL-UHFFFAOYSA-N -1 3 245.323 0.443 20 0 BCADHM OCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000095141630 607302650 /nfs/dbraw/zinc/30/26/50/607302650.db2.gz OMKZAFDKTOESHZ-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM OCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000095141630 607302651 /nfs/dbraw/zinc/30/26/51/607302651.db2.gz OMKZAFDKTOESHZ-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)Cc1cn2cccnc2n1 ZINC000054069676 597471727 /nfs/dbraw/zinc/47/17/27/597471727.db2.gz ZHNIAYRBXTUKHG-QMMMGPOBSA-N -1 3 234.259 0.634 20 0 BCADHM CC(C)CNC(=O)[C@@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000062133513 597527970 /nfs/dbraw/zinc/52/79/70/597527970.db2.gz UPZLHZKGMCISJD-ZJUUUORDSA-N -1 3 242.319 0.554 20 0 BCADHM CCCCNC(=O)[C@@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000062133537 597529895 /nfs/dbraw/zinc/52/98/95/597529895.db2.gz QRUXJBCCEHERPY-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CCN(CC)CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000185333988 599958778 /nfs/dbraw/zinc/95/87/78/599958778.db2.gz HCEUXTLSHAHRRS-JTQLQIEISA-N -1 3 244.335 0.944 20 0 BCADHM COC(=O)[C@H]1CCCCCN1CCC(=O)[O-] ZINC000309681341 597673311 /nfs/dbraw/zinc/67/33/11/597673311.db2.gz NHWRRRSBHCQNFD-SECBINFHSA-N -1 3 229.276 0.879 20 0 BCADHM C[C@H](NCC(=O)NCC(=O)[O-])c1ccccc1 ZINC000820141582 597808758 /nfs/dbraw/zinc/80/87/58/597808758.db2.gz FGNAOIZFZSYSAE-VIFPVBQESA-N -1 3 236.271 0.538 20 0 BCADHM C[C@H](C(=O)[O-])N(C)CC1(CS(C)(=O)=O)CC1 ZINC000696770692 598090336 /nfs/dbraw/zinc/09/03/36/598090336.db2.gz FUFUUFALVDXZQG-MRVPVSSYSA-N -1 3 249.332 0.216 20 0 BCADHM COC(=O)c1cc(CNCCC(=O)[O-])oc1C ZINC000037252548 598193055 /nfs/dbraw/zinc/19/30/55/598193055.db2.gz FBUUZPCHRORYOD-UHFFFAOYSA-N -1 3 241.243 0.939 20 0 BCADHM CN1C[C@@H](NCc2cccc(C(=O)[O-])c2)CC1=O ZINC000311070901 598203201 /nfs/dbraw/zinc/20/32/01/598203201.db2.gz UYFZKLICKDEEMX-NSHDSACASA-N -1 3 248.282 0.705 20 0 BCADHM OC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000095235140 598243656 /nfs/dbraw/zinc/24/36/56/598243656.db2.gz FUPSZSXRAKKBGV-SECBINFHSA-N -1 3 246.274 0.223 20 0 BCADHM OC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000095235140 598243657 /nfs/dbraw/zinc/24/36/57/598243657.db2.gz FUPSZSXRAKKBGV-SECBINFHSA-N -1 3 246.274 0.223 20 0 BCADHM c1cc(N[C@H]2CCCOC2)ncc1-c1nnn[n-]1 ZINC000738413212 598366010 /nfs/dbraw/zinc/36/60/10/598366010.db2.gz NQZVXVVIDJBZLN-VIFPVBQESA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(N[C@H]2CCCOC2)ncc1-c1nn[n-]n1 ZINC000738413212 598366012 /nfs/dbraw/zinc/36/60/12/598366012.db2.gz NQZVXVVIDJBZLN-VIFPVBQESA-N -1 3 246.274 0.853 20 0 BCADHM COCCOC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737006476 598477105 /nfs/dbraw/zinc/47/71/05/598477105.db2.gz QHJZXWTZRNBDFE-UHFFFAOYSA-N -1 3 249.230 0.065 20 0 BCADHM COCCOC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737006476 598477107 /nfs/dbraw/zinc/47/71/07/598477107.db2.gz QHJZXWTZRNBDFE-UHFFFAOYSA-N -1 3 249.230 0.065 20 0 BCADHM COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000095190373 598482074 /nfs/dbraw/zinc/48/20/74/598482074.db2.gz FIMVCLHXPLTGGX-UHFFFAOYSA-N -1 3 205.177 0.048 20 0 BCADHM COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000095190373 598482076 /nfs/dbraw/zinc/48/20/76/598482076.db2.gz FIMVCLHXPLTGGX-UHFFFAOYSA-N -1 3 205.177 0.048 20 0 BCADHM OCCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000738398497 598549905 /nfs/dbraw/zinc/54/99/05/598549905.db2.gz WNTQENCGXSXDBV-UHFFFAOYSA-N -1 3 224.195 0.377 20 0 BCADHM OCCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000738398497 598549906 /nfs/dbraw/zinc/54/99/06/598549906.db2.gz WNTQENCGXSXDBV-UHFFFAOYSA-N -1 3 224.195 0.377 20 0 BCADHM C[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095245180 598638298 /nfs/dbraw/zinc/63/82/98/598638298.db2.gz WFXNXPBUIDWMDH-SSDOTTSWSA-N -1 3 219.248 0.659 20 0 BCADHM CCOCC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095281742 598663859 /nfs/dbraw/zinc/66/38/59/598663859.db2.gz NDOUKDSXGYJUNI-UHFFFAOYSA-N -1 3 248.246 0.237 20 0 BCADHM CCOCC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095281742 598663860 /nfs/dbraw/zinc/66/38/60/598663860.db2.gz NDOUKDSXGYJUNI-UHFFFAOYSA-N -1 3 248.246 0.237 20 0 BCADHM C/C(=C\CN(CC(N)=O)C1CCCC1)C(=O)[O-] ZINC000088630559 601156217 /nfs/dbraw/zinc/15/62/17/601156217.db2.gz IHXCZSZVTSHLDD-RMKNXTFCSA-N -1 3 240.303 0.747 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095252930 598804682 /nfs/dbraw/zinc/80/46/82/598804682.db2.gz KEPDHHBGGDTMKR-HTRCEHHLSA-N -1 3 244.258 0.856 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095252930 598804683 /nfs/dbraw/zinc/80/46/83/598804683.db2.gz KEPDHHBGGDTMKR-HTRCEHHLSA-N -1 3 244.258 0.856 20 0 BCADHM OCCSc1ccccc1-c1nnn[n-]1 ZINC000095181283 599317296 /nfs/dbraw/zinc/31/72/96/599317296.db2.gz URQUCUZTZJBYOP-UHFFFAOYSA-N -1 3 222.273 0.951 20 0 BCADHM OCCSc1ccccc1-c1nn[n-]n1 ZINC000095181283 599317299 /nfs/dbraw/zinc/31/72/99/599317299.db2.gz URQUCUZTZJBYOP-UHFFFAOYSA-N -1 3 222.273 0.951 20 0 BCADHM C[C@H](C(=O)[O-])N1CCN(c2cccnn2)CC1 ZINC000052815597 599753592 /nfs/dbraw/zinc/75/35/92/599753592.db2.gz IWWZCIHRDSYUHD-SECBINFHSA-N -1 3 236.275 0.072 20 0 BCADHM CN(CCCO)Cc1ccc(C(=O)[O-])o1 ZINC000300766635 599794926 /nfs/dbraw/zinc/79/49/26/599794926.db2.gz BWMGIRFOKDLYEP-UHFFFAOYSA-N -1 3 213.233 0.792 20 0 BCADHM O=C(CN1CC[C@@H](C(=O)[O-])C1)NCC1CCC1 ZINC000739272202 599924187 /nfs/dbraw/zinc/92/41/87/599924187.db2.gz FKNPQOWJCPEKQG-SNVBAGLBSA-N -1 3 240.303 0.309 20 0 BCADHM CS(=O)(=O)CCCN1CCCC[C@H]1C(=O)[O-] ZINC000063016065 599961674 /nfs/dbraw/zinc/96/16/74/599961674.db2.gz KNTGRVIQLLRNCT-VIFPVBQESA-N -1 3 249.332 0.360 20 0 BCADHM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCN1CCCCC1 ZINC000049575069 600110224 /nfs/dbraw/zinc/11/02/24/600110224.db2.gz CJKHPOQNWOERBF-UWVGGRQHSA-N -1 3 240.303 0.309 20 0 BCADHM CCN1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000307800988 600162565 /nfs/dbraw/zinc/16/25/65/600162565.db2.gz AWHYVKVMLOLYIN-ZJUUUORDSA-N -1 3 240.303 0.261 20 0 BCADHM CCN1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000307800980 600162457 /nfs/dbraw/zinc/16/24/57/600162457.db2.gz AWHYVKVMLOLYIN-UWVGGRQHSA-N -1 3 240.303 0.261 20 0 BCADHM CCN(CC)CC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000737085493 600200830 /nfs/dbraw/zinc/20/08/30/600200830.db2.gz MRSJNPGRDKLQAX-GFCCVEGCSA-N -1 3 242.319 0.698 20 0 BCADHM O=C([O-])CCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000309811708 600219292 /nfs/dbraw/zinc/21/92/92/600219292.db2.gz ZHUZPYKVBYVUPM-SECBINFHSA-N -1 3 226.276 0.204 20 0 BCADHM CC(C)NC(=O)CN(CCC(=O)[O-])C(C)C ZINC000037474317 600219755 /nfs/dbraw/zinc/21/97/55/600219755.db2.gz VOXFRTLSCUPZFI-UHFFFAOYSA-N -1 3 230.308 0.696 20 0 BCADHM Cn1cnc2c1CCN(CCCC(=O)[O-])C2 ZINC000390270169 600230197 /nfs/dbraw/zinc/23/01/97/600230197.db2.gz RHNRLEDGPCKFGV-UHFFFAOYSA-N -1 3 223.276 0.643 20 0 BCADHM CC[C@H](C(N)=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405440330 600296671 /nfs/dbraw/zinc/29/66/71/600296671.db2.gz IONJZYDWWMMZPE-RKDXNWHRSA-N -1 3 240.303 0.437 20 0 BCADHM CC[C@@H](C(N)=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405440327 600296885 /nfs/dbraw/zinc/29/68/85/600296885.db2.gz IONJZYDWWMMZPE-IUCAKERBSA-N -1 3 240.303 0.437 20 0 BCADHM C=CCNC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000042706193 600371894 /nfs/dbraw/zinc/37/18/94/600371894.db2.gz MJIWUJYASZJVBM-IUCAKERBSA-N -1 3 228.292 0.330 20 0 BCADHM CC(C)CNC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000250553119 600372041 /nfs/dbraw/zinc/37/20/41/600372041.db2.gz AGPQTEHEXBFSEH-VHSXEESVSA-N -1 3 244.335 0.800 20 0 BCADHM C[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)[O-] ZINC000032025501 600387249 /nfs/dbraw/zinc/38/72/49/600387249.db2.gz ZLDDRZYQBHVEMH-UWVGGRQHSA-N -1 3 242.319 0.840 20 0 BCADHM C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000043559503 600441064 /nfs/dbraw/zinc/44/10/64/600441064.db2.gz RBNQDSPZAMQTBJ-JXUBOQSCSA-N -1 3 242.319 0.837 20 0 BCADHM C[C@@H]1CCCN1CC(=O)NCCC(=O)[O-] ZINC000393622539 600681371 /nfs/dbraw/zinc/68/13/71/600681371.db2.gz UXYWQTFKFVHFHR-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM CCCN(C)CC(=O)NC(C)(C)C(=O)[O-] ZINC000737007870 600785457 /nfs/dbraw/zinc/78/54/57/600785457.db2.gz OWQQWXJNGQMGLK-UHFFFAOYSA-N -1 3 216.281 0.308 20 0 BCADHM CCCN(C)CC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000737007875 600787886 /nfs/dbraw/zinc/78/78/86/600787886.db2.gz PCAACSHZVUKYAK-GFCCVEGCSA-N -1 3 242.319 0.698 20 0 BCADHM CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000095132934 607468603 /nfs/dbraw/zinc/46/86/03/607468603.db2.gz QYXMXOSICAOMFW-UHFFFAOYSA-N -1 3 247.258 0.382 20 0 BCADHM CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])[C@H]1CCCN(C)C1 ZINC000250586839 600872050 /nfs/dbraw/zinc/87/20/50/600872050.db2.gz GTPZGEKJHQBOMO-GUBZILKMSA-N -1 3 240.303 0.260 20 0 BCADHM C[C@@H](O)CN(C)Cc1occc1C(=O)[O-] ZINC000051821591 600979242 /nfs/dbraw/zinc/97/92/42/600979242.db2.gz LGSIQABVKCRPKE-SSDOTTSWSA-N -1 3 213.233 0.790 20 0 BCADHM CN(CC(=O)[O-])Cc1ccc([S@@](C)=O)cc1 ZINC000390347168 601376065 /nfs/dbraw/zinc/37/60/65/601376065.db2.gz OISRFFRLJMUZRL-MRXNPFEDSA-N -1 3 241.312 0.940 20 0 BCADHM COCC[C@@H](C)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000227572604 601841510 /nfs/dbraw/zinc/84/15/10/601841510.db2.gz KYUUJUBDNLORPR-ZJUUUORDSA-N -1 3 231.292 0.587 20 0 BCADHM C[C@H](CN1CCC[C@@H]1C(=O)[O-])CS(C)(=O)=O ZINC000705560046 601940395 /nfs/dbraw/zinc/94/03/95/601940395.db2.gz BHVLQVPIZSNYDI-RKDXNWHRSA-N -1 3 249.332 0.216 20 0 BCADHM COc1ccc(CNCCNC(=O)[O-])cn1 ZINC000739903476 602048123 /nfs/dbraw/zinc/04/81/23/602048123.db2.gz QBRPEZCRQWWEGR-UHFFFAOYSA-N -1 3 225.248 0.447 20 0 BCADHM CC(C)CN(CCN(C)C)C(=O)CNC(=O)[O-] ZINC000738820825 602066473 /nfs/dbraw/zinc/06/64/73/602066473.db2.gz MZOXMZDQEMPEOC-UHFFFAOYSA-N -1 3 245.323 0.300 20 0 BCADHM CCN1CCCN(C(=O)[C@@H](C)CC(=O)[O-])CC1 ZINC000829771434 602154634 /nfs/dbraw/zinc/15/46/34/602154634.db2.gz WMQNEOIUFXWTRA-JTQLQIEISA-N -1 3 242.319 0.651 20 0 BCADHM O=C([O-])c1ccc(CN[C@@H]2CCCNC2=O)cc1 ZINC000050920967 602162330 /nfs/dbraw/zinc/16/23/30/602162330.db2.gz YADRUOBBKQLMSL-LLVKDONJSA-N -1 3 248.282 0.753 20 0 BCADHM CN(CCNCc1ccncc1)C(=O)[O-] ZINC000739699263 602293995 /nfs/dbraw/zinc/29/39/95/602293995.db2.gz SOOYRJPZTYHWBT-UHFFFAOYSA-N -1 3 209.249 0.781 20 0 BCADHM CC(C)N(C)CC(=O)NCCN(C)C(=O)[O-] ZINC000738834166 602304006 /nfs/dbraw/zinc/30/40/06/602304006.db2.gz JCOOIXBAPZITKO-UHFFFAOYSA-N -1 3 231.296 0.053 20 0 BCADHM CCN(CC)CC(=O)NCCCNC(=O)[O-] ZINC000739408916 602343385 /nfs/dbraw/zinc/34/33/85/602343385.db2.gz UVSUHOITFCOWQK-UHFFFAOYSA-N -1 3 231.296 0.102 20 0 BCADHM CCN(CCNCc1cnc(C)nc1)C(=O)[O-] ZINC000739433450 602312673 /nfs/dbraw/zinc/31/26/73/602312673.db2.gz FRCDJBHHAFQFFU-UHFFFAOYSA-N -1 3 238.291 0.875 20 0 BCADHM CC(C)(CNC(=O)[O-])NCc1cncnc1 ZINC000738752955 602317864 /nfs/dbraw/zinc/31/78/64/602317864.db2.gz RUGOZYZDNLCOGX-UHFFFAOYSA-N -1 3 224.264 0.612 20 0 BCADHM CC(C)N(C)CC(=O)NCCCNC(=O)[O-] ZINC000738834126 602343033 /nfs/dbraw/zinc/34/30/33/602343033.db2.gz ITJYGEIYSKWQJU-UHFFFAOYSA-N -1 3 231.296 0.101 20 0 BCADHM Cc1cc(NCCCNC(=O)[O-])nc(N)n1 ZINC000740091964 602374698 /nfs/dbraw/zinc/37/46/98/602374698.db2.gz WFZMVMLYAGOMAC-UHFFFAOYSA-N -1 3 225.252 0.437 20 0 BCADHM COC(=O)CCN1CCC(NC(=O)[O-])CC1 ZINC000739761525 602375618 /nfs/dbraw/zinc/37/56/18/602375618.db2.gz MUIRLHYWYRDJEH-UHFFFAOYSA-N -1 3 230.264 0.282 20 0 BCADHM Cc1n[nH]cc1CNC[C@@H]1CCCN1C(=O)[O-] ZINC000740206340 602594486 /nfs/dbraw/zinc/59/44/86/602594486.db2.gz BDXRVKFJLBXFRX-JTQLQIEISA-N -1 3 238.291 0.950 20 0 BCADHM O=C([O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000739935842 602670466 /nfs/dbraw/zinc/67/04/66/602670466.db2.gz CCXDJQXGKOKGGB-YUMQZZPRSA-N -1 3 200.238 0.117 20 0 BCADHM CN(CCCNCc1ncc[nH]1)C(=O)[O-] ZINC000739683714 602680793 /nfs/dbraw/zinc/68/07/93/602680793.db2.gz DVPKFPBRLDUVOD-UHFFFAOYSA-N -1 3 212.253 0.499 20 0 BCADHM Cn1ccc(CNCCCNC(=O)[O-])n1 ZINC000740291404 602694586 /nfs/dbraw/zinc/69/45/86/602694586.db2.gz BSOPJCODXVFYOH-UHFFFAOYSA-N -1 3 212.253 0.167 20 0 BCADHM Cn1cncc1CN[C@H]1CCN(C(=O)[O-])C1 ZINC000740296094 602876602 /nfs/dbraw/zinc/87/66/02/602876602.db2.gz VALMNZQURFMFAV-QMMMGPOBSA-N -1 3 224.264 0.262 20 0 BCADHM O=C([O-])N1CC[C@H](NCc2cccnc2)C1 ZINC000740506469 602878462 /nfs/dbraw/zinc/87/84/62/602878462.db2.gz ZUSPQBUZGZAVLA-JTQLQIEISA-N -1 3 221.260 0.924 20 0 BCADHM CCCn1cc(CNCCN(C)C(=O)[O-])cn1 ZINC000739378759 602967078 /nfs/dbraw/zinc/96/70/78/602967078.db2.gz VWDPHBDPJBAFSY-UHFFFAOYSA-N -1 3 240.307 0.993 20 0 BCADHM C[C@H](CNC(=O)[O-])N(C)C(=O)[C@@H]1CCCN1C ZINC000738921860 603046952 /nfs/dbraw/zinc/04/69/52/603046952.db2.gz CPSBSTRTWLTGGQ-BDAKNGLRSA-N -1 3 243.307 0.195 20 0 BCADHM O=C([O-])NC[C@H](NCc1cncnc1)C1CC1 ZINC000740611232 603072819 /nfs/dbraw/zinc/07/28/19/603072819.db2.gz DLBCZEIZUZEKFP-JTQLQIEISA-N -1 3 236.275 0.612 20 0 BCADHM CN(C(=O)[O-])[C@H]1CCCN(CCOCCO)C1 ZINC000739584775 603082356 /nfs/dbraw/zinc/08/23/56/603082356.db2.gz MRSGPNVTOGKEHL-JTQLQIEISA-N -1 3 246.307 0.070 20 0 BCADHM O=C([O-])NC[C@@H]1CCCCN1CCOCCO ZINC000740623112 603083475 /nfs/dbraw/zinc/08/34/75/603083475.db2.gz LXKCJIMXVXBETH-JTQLQIEISA-N -1 3 246.307 0.117 20 0 BCADHM CN(CCCNC(=O)[O-])C(=O)[C@H]1CCCN1C ZINC000739674988 603239600 /nfs/dbraw/zinc/23/96/00/603239600.db2.gz RWIXGMQYCXLTPL-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM C[C@@H](NC(=O)[O-])C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000738976032 603286319 /nfs/dbraw/zinc/28/63/19/603286319.db2.gz CKYGOFKVOPUPBF-BDAKNGLRSA-N -1 3 243.307 0.195 20 0 BCADHM CN1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739736599 603321775 /nfs/dbraw/zinc/32/17/75/603321775.db2.gz GQOJRNHSFGHCSV-SNVBAGLBSA-N -1 3 227.308 0.234 20 0 BCADHM CCN(CC(=O)N[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000739393364 603431696 /nfs/dbraw/zinc/43/16/96/603431696.db2.gz OXJBZKQHQVPURZ-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM CNC(=O)C[C@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000322584808 604329838 /nfs/dbraw/zinc/32/98/38/604329838.db2.gz DVSGATKSSFITRO-ZETCQYMHSA-N -1 3 240.259 0.592 20 0 BCADHM O=C([O-])CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000309328364 604368734 /nfs/dbraw/zinc/36/87/34/604368734.db2.gz HEDJDYFEZJOKOC-MRVPVSSYSA-N -1 3 241.209 0.706 20 0 BCADHM O=C([O-])[C@H]1CC12CCN([C@H]1CCNC1=O)CC2 ZINC000691470980 604422537 /nfs/dbraw/zinc/42/25/37/604422537.db2.gz CWYJAAYZASHMSR-BDAKNGLRSA-N -1 3 238.287 0.062 20 0 BCADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])o2)C[C@H]1O ZINC000388139804 604569290 /nfs/dbraw/zinc/56/92/90/604569290.db2.gz GBKCARAUECXTDQ-IONNQARKSA-N -1 3 225.244 0.790 20 0 BCADHM C[C@H]1CN(Cc2cc[nH]n2)C[C@@H]1C(=O)[O-] ZINC000693680662 604669920 /nfs/dbraw/zinc/66/99/20/604669920.db2.gz QAADVUBCCSZYRR-CBAPKCEASA-N -1 3 209.249 0.562 20 0 BCADHM C[C@H]1C[C@H](O)CN1Cc1occc1C(=O)[O-] ZINC000385017629 604935855 /nfs/dbraw/zinc/93/58/55/604935855.db2.gz UDTOELMIBRFAQT-YUMQZZPRSA-N -1 3 225.244 0.933 20 0 BCADHM CS(=O)(=O)CCCN1CCC[C@H]1CC(=O)[O-] ZINC000063016102 604964309 /nfs/dbraw/zinc/96/43/09/604964309.db2.gz UBRFOSDCVRGNBO-VIFPVBQESA-N -1 3 249.332 0.360 20 0 BCADHM CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000738836177 605140589 /nfs/dbraw/zinc/14/05/89/605140589.db2.gz VVNWLYPBAACGJJ-VIFPVBQESA-N -1 3 243.307 0.195 20 0 BCADHM CC(C)CN1CCN(C[C@](C)(O)C(=O)[O-])CC1 ZINC000080211411 605496443 /nfs/dbraw/zinc/49/64/43/605496443.db2.gz KBAUDNZZYQZILT-LBPRGKRZSA-N -1 3 244.335 0.096 20 0 BCADHM CCOC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000095175279 607777012 /nfs/dbraw/zinc/77/70/12/607777012.db2.gz GHVWYLKLWPNAHA-UHFFFAOYSA-N -1 3 207.193 0.372 20 0 BCADHM Cc1cc(N2CC[C@H](NC(=O)[O-])C2)nc(N)n1 ZINC000740076683 605907125 /nfs/dbraw/zinc/90/71/25/605907125.db2.gz BFEHJNBEJYAIHT-ZETCQYMHSA-N -1 3 237.263 0.214 20 0 BCADHM CC(=O)CCN1CC[C@H](NC(=O)[O-])C1 ZINC000738512371 605933458 /nfs/dbraw/zinc/93/34/58/605933458.db2.gz SHTPUIUMJWOFPI-QMMMGPOBSA-N -1 3 200.238 0.307 20 0 BCADHM CN[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000095189555 606299376 /nfs/dbraw/zinc/29/93/76/606299376.db2.gz ADVRYKVVIQEUAQ-SECBINFHSA-N -1 3 247.258 0.300 20 0 BCADHM CN[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000095189555 606299377 /nfs/dbraw/zinc/29/93/77/606299377.db2.gz ADVRYKVVIQEUAQ-SECBINFHSA-N -1 3 247.258 0.300 20 0 BCADHM C[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000095245186 606400520 /nfs/dbraw/zinc/40/05/20/606400520.db2.gz DUFQLGXYYZOMHL-ZCFIWIBFSA-N -1 3 237.238 0.799 20 0 BCADHM C[C@@H](CO)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC000824440291 607837927 /nfs/dbraw/zinc/83/79/27/607837927.db2.gz BUPMUHRFJIOZRX-ZETCQYMHSA-N -1 3 234.263 0.079 20 0 BCADHM C[C@@H](CO)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC000824440291 607837928 /nfs/dbraw/zinc/83/79/28/607837928.db2.gz BUPMUHRFJIOZRX-ZETCQYMHSA-N -1 3 234.263 0.079 20 0 BCADHM C[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC000095244889 608551208 /nfs/dbraw/zinc/55/12/08/608551208.db2.gz QANNYJFNTRBODY-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM C[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC000095244889 608551209 /nfs/dbraw/zinc/55/12/09/608551209.db2.gz QANNYJFNTRBODY-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM C[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC000095244890 608551404 /nfs/dbraw/zinc/55/14/04/608551404.db2.gz QANNYJFNTRBODY-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM C[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC000095244890 608551405 /nfs/dbraw/zinc/55/14/05/608551405.db2.gz QANNYJFNTRBODY-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM COC[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC000095245324 608797688 /nfs/dbraw/zinc/79/76/88/608797688.db2.gz BDRAETMYVCVEMR-SSDOTTSWSA-N -1 3 234.263 0.709 20 0 BCADHM COC[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC000095245324 608797689 /nfs/dbraw/zinc/79/76/89/608797689.db2.gz BDRAETMYVCVEMR-SSDOTTSWSA-N -1 3 234.263 0.709 20 0 BCADHM COCCN(CCOC)c1cc(=O)[n-]c(C)n1 ZINC000162806925 634473935 /nfs/dbraw/zinc/47/39/35/634473935.db2.gz RALIYEVRUFXYOW-UHFFFAOYSA-N -1 3 241.291 0.590 20 0 BCADHM CCOc1nnc(NC(=O)c2cncn2C)[n-]1 ZINC000233802755 635543197 /nfs/dbraw/zinc/54/31/97/635543197.db2.gz LVLUSKXBDYWVDQ-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM CCOc1nc(NC(=O)c2cncn2C)n[n-]1 ZINC000233802755 635543202 /nfs/dbraw/zinc/54/32/02/635543202.db2.gz LVLUSKXBDYWVDQ-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM CCOc1n[n-]c(NC(=O)c2cncn2C)n1 ZINC000233802755 635543208 /nfs/dbraw/zinc/54/32/08/635543208.db2.gz LVLUSKXBDYWVDQ-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM COCCCO[N-]C(=O)CCSC ZINC000308368628 631304603 /nfs/dbraw/zinc/30/46/03/631304603.db2.gz PGLQJWWDRKXFTR-UHFFFAOYSA-N -1 3 207.295 0.824 20 0 BCADHM C[C@@H]1CN(CCNc2cc(=O)[n-]cn2)CCO1 ZINC000892246487 631812875 /nfs/dbraw/zinc/81/28/75/631812875.db2.gz LXXFGEVPXSKIGJ-SECBINFHSA-N -1 3 238.291 0.315 20 0 BCADHM COC(=O)c1ccc(-c2nc(N(C)C)no2)[n-]1 ZINC000291925507 631977455 /nfs/dbraw/zinc/97/74/55/631977455.db2.gz OHFUQBVOLKSHOC-UHFFFAOYSA-N -1 3 236.231 0.917 20 0 BCADHM CC[C@](C)(CN1CCO[C@@H](CC(=O)[O-])C1)OC ZINC000319533292 635732624 /nfs/dbraw/zinc/73/26/24/635732624.db2.gz ARANBMYKHPAXTA-CMPLNLGQSA-N -1 3 245.319 0.977 20 0 BCADHM CCC[C@H](O)[C@@H](CO)Nc1cc(=O)[n-]cn1 ZINC000894189581 635743817 /nfs/dbraw/zinc/74/38/17/635743817.db2.gz JYJXEMBJOCQZNP-SFYZADRCSA-N -1 3 227.264 0.116 20 0 BCADHM CC1(C)[C@H](Nc2cc(=O)[n-]cn2)C[C@@H]1O ZINC000168302285 632459645 /nfs/dbraw/zinc/45/96/45/632459645.db2.gz QSHPVZMHVSAHFH-RQJHMYQMSA-N -1 3 209.249 0.341 20 0 BCADHM COC[C@H](C)NC(=O)NN=c1cccn[n-]1 ZINC000077536643 632575400 /nfs/dbraw/zinc/57/54/00/632575400.db2.gz IYBYAKONVUIJRQ-ZETCQYMHSA-N -1 3 225.252 0.138 20 0 BCADHM O=C(C[C@@H]1CCCC1(F)F)[N-]OCCO ZINC000935454665 632778959 /nfs/dbraw/zinc/77/89/59/632778959.db2.gz DAGDBMPFKNBMRX-ZETCQYMHSA-N -1 3 223.219 0.852 20 0 BCADHM CCO[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000159326291 632956718 /nfs/dbraw/zinc/95/67/18/632956718.db2.gz JYCTWWDKBZFHQM-MRVPVSSYSA-N -1 3 218.322 0.491 20 0 BCADHM CC(=O)[N-]OCC(=O)NC1CCC(C)CC1 ZINC000178196518 632988728 /nfs/dbraw/zinc/98/87/28/632988728.db2.gz HZLGVQRMXWGESV-UHFFFAOYSA-N -1 3 228.292 0.749 20 0 BCADHM O=c1cc(N2CCC[C@H](CCO)C2)nc[n-]1 ZINC000166170978 633108726 /nfs/dbraw/zinc/10/87/26/633108726.db2.gz AWHHJQSCZNOIME-SECBINFHSA-N -1 3 223.276 0.369 20 0 BCADHM Cc1cnc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c([O-])c1 ZINC000928434923 635929883 /nfs/dbraw/zinc/92/98/83/635929883.db2.gz FNGINMXMWHSHEJ-NXEZZACHSA-N -1 3 249.314 0.918 20 0 BCADHM CNC(=O)NCCNC(=O)c1ccccc1[O-] ZINC000048922468 635976232 /nfs/dbraw/zinc/97/62/32/635976232.db2.gz LCXKGXSZIKNTKY-UHFFFAOYSA-N -1 3 237.259 0.051 20 0 BCADHM C[C@H](CCS(C)(=O)=O)Nc1cc(=O)[n-]cn1 ZINC000892927640 633731302 /nfs/dbraw/zinc/73/13/02/633731302.db2.gz BLKBPALKLUKXLZ-SSDOTTSWSA-N -1 3 245.304 0.417 20 0 BCADHM CC(C)C(=O)NCCCNc1cc(=O)[n-]cn1 ZINC000892991100 633799336 /nfs/dbraw/zinc/79/93/36/633799336.db2.gz JUIPOXJVPKAMPK-UHFFFAOYSA-N -1 3 238.291 0.756 20 0 BCADHM CCN(CC)C(=O)[C@H](C)O[N-]C(C)=O ZINC000180807463 633900878 /nfs/dbraw/zinc/90/08/78/633900878.db2.gz ZMNURZYFZMTCRP-ZETCQYMHSA-N -1 3 202.254 0.311 20 0 BCADHM CCCc1nsc([N-][C@@H](COC)C(N)=O)n1 ZINC000309481237 633925885 /nfs/dbraw/zinc/92/58/85/633925885.db2.gz TWXHMUIXJGOYDX-LURJTMIESA-N -1 3 244.320 0.403 20 0 BCADHM CCOCCCC(=O)[N-]OCCOCC ZINC000184785209 634017814 /nfs/dbraw/zinc/01/78/14/634017814.db2.gz HYYFTAVONWJCPN-UHFFFAOYSA-N -1 3 219.281 0.887 20 0 BCADHM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@@H]1CCCN(C)C1 ZINC000053244704 634104662 /nfs/dbraw/zinc/10/46/62/634104662.db2.gz GTPZGEKJHQBOMO-BBBLOLIVSA-N -1 3 240.303 0.260 20 0 BCADHM CO[C@@H](C)CCC(=O)[N-]OC[C@H]1CCOC1 ZINC000189251474 634175775 /nfs/dbraw/zinc/17/57/75/634175775.db2.gz WVKCXOHLKLQCLG-UWVGGRQHSA-N -1 3 231.292 0.886 20 0 BCADHM O=C(N[C@@H]1CCCC1(F)F)c1cn[n-]n1 ZINC000398296798 634320605 /nfs/dbraw/zinc/32/06/05/634320605.db2.gz LAJVTTGGUQWUKX-ZCFIWIBFSA-N -1 3 216.191 0.722 20 0 BCADHM CC[C@@H](C(=O)[O-])C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000258775316 635195820 /nfs/dbraw/zinc/19/58/20/635195820.db2.gz MNHCEKAEBILZLZ-NXEZZACHSA-N -1 3 242.319 0.650 20 0 BCADHM Cc1n[nH]cc1S(=O)(=O)[N-]CC(F)F ZINC000098000527 636192630 /nfs/dbraw/zinc/19/26/30/636192630.db2.gz PHUYPEGRKJOWEG-UHFFFAOYSA-N -1 3 225.220 0.262 20 0 BCADHM CCN(CCC(N)=O)C(=O)c1ccccc1[O-] ZINC000928824628 636389154 /nfs/dbraw/zinc/38/91/54/636389154.db2.gz ZZWLFOPUSBMFNV-UHFFFAOYSA-N -1 3 236.271 0.730 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)N1CCOCN1 ZINC000928946362 636604984 /nfs/dbraw/zinc/60/49/84/636604984.db2.gz LZMAYKAKGPZRFJ-UHFFFAOYSA-N -1 3 240.234 0.395 20 0 BCADHM C[C@@H](CC(=O)[O-])NC(=O)CN(C)CC(C)(C)C ZINC000901427214 637250573 /nfs/dbraw/zinc/25/05/73/637250573.db2.gz WQIZXHDERNPQTM-VIFPVBQESA-N -1 3 244.335 0.944 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)CSCCc1nnn[n-]1 ZINC000901566332 637260030 /nfs/dbraw/zinc/26/00/30/637260030.db2.gz QCAPJWROZXVBNZ-BQBZGAKWSA-N -1 3 226.305 0.701 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)CSCCc1nn[n-]n1 ZINC000901566332 637260035 /nfs/dbraw/zinc/26/00/35/637260035.db2.gz QCAPJWROZXVBNZ-BQBZGAKWSA-N -1 3 226.305 0.701 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)CSCCc1nnn[n-]1 ZINC000901566338 637260045 /nfs/dbraw/zinc/26/00/45/637260045.db2.gz QCAPJWROZXVBNZ-RQJHMYQMSA-N -1 3 226.305 0.701 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)CSCCc1nn[n-]n1 ZINC000901566338 637260053 /nfs/dbraw/zinc/26/00/53/637260053.db2.gz QCAPJWROZXVBNZ-RQJHMYQMSA-N -1 3 226.305 0.701 20 0 BCADHM C[C@H]1COC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000905007079 637545140 /nfs/dbraw/zinc/54/51/40/637545140.db2.gz UCMRLGPCAKMQAN-POYBYMJQSA-N -1 3 219.248 0.173 20 0 BCADHM C[C@H](O)CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000905373629 637791979 /nfs/dbraw/zinc/79/19/79/637791979.db2.gz ANGWGOJFJACATO-OIBJUYFYSA-N -1 3 227.235 0.922 20 0 BCADHM CCc1[nH]cnc1C(=O)[N-]N1CCCNC1=O ZINC000907240167 638328074 /nfs/dbraw/zinc/32/80/74/638328074.db2.gz CDYWXAHWIKXYSO-UHFFFAOYSA-N -1 3 237.263 0.032 20 0 BCADHM CCOCCO[N-]C(=O)CC1(O)CCOCC1 ZINC000907469331 638383591 /nfs/dbraw/zinc/38/35/91/638383591.db2.gz BQIKKSICXANJEH-UHFFFAOYSA-N -1 3 247.291 0.002 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000907470056 638384110 /nfs/dbraw/zinc/38/41/10/638384110.db2.gz IPTMYMFWJYJXRN-UJNFCWOMSA-N -1 3 227.260 0.296 20 0 BCADHM C/C=C/[C@H](O)C(=O)Nc1nc(C)ccc1[O-] ZINC000907829879 638480908 /nfs/dbraw/zinc/48/09/08/638480908.db2.gz WQCHKLACLFEGCJ-NWALNABHSA-N -1 3 222.244 0.971 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000908182177 638595218 /nfs/dbraw/zinc/59/52/18/638595218.db2.gz MZIZMZGBWOXFCX-UJNFCWOMSA-N -1 3 227.260 0.296 20 0 BCADHM CC(Cl)=CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000908233040 638621425 /nfs/dbraw/zinc/62/14/25/638621425.db2.gz RQXBHPQLRAIHOT-FNORWQNLSA-N -1 3 243.694 0.901 20 0 BCADHM CC(C)OCCO[N-]C(=O)CC1COC1 ZINC000908329853 638666877 /nfs/dbraw/zinc/66/68/77/638666877.db2.gz VCJULRPLZOREJW-UHFFFAOYSA-N -1 3 217.265 0.496 20 0 BCADHM CC(F)(F)C(=O)[N-][C@H](CO)c1ccccn1 ZINC000908480650 638748651 /nfs/dbraw/zinc/74/86/51/638748651.db2.gz BQHPZINQBRSVQN-MRVPVSSYSA-N -1 3 230.214 0.886 20 0 BCADHM O=C([N-][C@H](CO)c1ccccn1)C(F)F ZINC000908488065 638752001 /nfs/dbraw/zinc/75/20/01/638752001.db2.gz TYVVVOHEKHFDMC-SSDOTTSWSA-N -1 3 216.187 0.496 20 0 BCADHM CC(C)N1CCC[C@@H]1C(=O)N(C)CC(=O)[O-] ZINC000908627336 639029719 /nfs/dbraw/zinc/02/97/19/639029719.db2.gz HDKIWFRWNYDKKO-SECBINFHSA-N -1 3 228.292 0.402 20 0 BCADHM CC(C)N1CCC[C@H]1C(=O)N(C)CC(=O)[O-] ZINC000908627338 639030279 /nfs/dbraw/zinc/03/02/79/639030279.db2.gz HDKIWFRWNYDKKO-VIFPVBQESA-N -1 3 228.292 0.402 20 0 BCADHM CCN(CCC(=O)[O-])C(=O)CN(C)C(C)C ZINC000908860248 639087553 /nfs/dbraw/zinc/08/75/53/639087553.db2.gz ZJQVEMJJUMVWKF-UHFFFAOYSA-N -1 3 230.308 0.650 20 0 BCADHM CC[C@H](C(=O)N(CC(=O)[O-])C1CC1)N(C)C ZINC000908892657 639087517 /nfs/dbraw/zinc/08/75/17/639087517.db2.gz HZCYSNFSGUMDSX-SECBINFHSA-N -1 3 228.292 0.402 20 0 BCADHM CC[C@@H](C(=O)N(CC(=O)[O-])C1CC1)N(C)C ZINC000908892658 639087842 /nfs/dbraw/zinc/08/78/42/639087842.db2.gz HZCYSNFSGUMDSX-VIFPVBQESA-N -1 3 228.292 0.402 20 0 BCADHM CCN(CC)CC(=O)N(CC(=O)[O-])CC(C)C ZINC000908882721 639090267 /nfs/dbraw/zinc/09/02/67/639090267.db2.gz KRVVQYWTHGQRMM-UHFFFAOYSA-N -1 3 244.335 0.897 20 0 BCADHM CC[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)N(C)C ZINC000908971536 639106692 /nfs/dbraw/zinc/10/66/92/639106692.db2.gz LSJPZYLZIUGSEI-BDAKNGLRSA-N -1 3 244.335 0.942 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CC1COC1 ZINC000909054873 639133452 /nfs/dbraw/zinc/13/34/52/639133452.db2.gz SGFOFYRFHASQOD-SECBINFHSA-N -1 3 217.265 0.088 20 0 BCADHM CCN(CC)CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000909718555 639210489 /nfs/dbraw/zinc/21/04/89/639210489.db2.gz ZMHDVGSBHMOYCI-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM O=C([O-])[C@H]1[C@@H]2CN(c3ccncc3CO)C[C@@H]21 ZINC000910279123 639404284 /nfs/dbraw/zinc/40/42/84/639404284.db2.gz SEWDCNVCLBWKSI-JZYVYDRUSA-N -1 3 234.255 0.341 20 0 BCADHM O=C([O-])[C@@H]1CCCN(c2ccncc2CO)C1 ZINC000910308687 639408662 /nfs/dbraw/zinc/40/86/62/639408662.db2.gz GILKBUKQFACIGS-SECBINFHSA-N -1 3 236.271 0.875 20 0 BCADHM C[C@@]1(C(=O)[O-])CCN(c2ccncc2CO)C1 ZINC000910311952 639410003 /nfs/dbraw/zinc/41/00/03/639410003.db2.gz DQSFSCQPEBYMKZ-GFCCVEGCSA-N -1 3 236.271 0.875 20 0 BCADHM CCC[C@H](CNc1ccncc1CO)C(=O)[O-] ZINC000910466292 639461267 /nfs/dbraw/zinc/46/12/67/639461267.db2.gz SBKNBRFKCNLSEF-SECBINFHSA-N -1 3 238.287 0.909 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000910985609 639558244 /nfs/dbraw/zinc/55/82/44/639558244.db2.gz AOBZVIVVSXXSAM-UTLUCORTSA-N -1 3 242.319 0.552 20 0 BCADHM O=C(CCF)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911853962 639859131 /nfs/dbraw/zinc/85/91/31/639859131.db2.gz FXHAYBRRNGQBRQ-SSDOTTSWSA-N -1 3 227.239 0.791 20 0 BCADHM CC/C(C)=C/C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471141 640087214 /nfs/dbraw/zinc/08/72/14/640087214.db2.gz OHWGPBLHLDXFNF-TTZKWOQHSA-N -1 3 237.303 0.971 20 0 BCADHM O=C(CCF)[N-]OCCN1CCCC1=O ZINC000912629163 640143810 /nfs/dbraw/zinc/14/38/10/640143810.db2.gz MCTJIGDXSMNDJH-UHFFFAOYSA-N -1 3 218.228 0.016 20 0 BCADHM CCn1cc(C(=O)[N-]c2cnoc2)nn1 ZINC000931343937 640164277 /nfs/dbraw/zinc/16/42/77/640164277.db2.gz TVZUTJATIBYYNM-UHFFFAOYSA-N -1 3 207.193 0.538 20 0 BCADHM COc1cccc([O-])c1C(=O)N[C@H]1C[C@H](O)C1 ZINC000912729351 640182118 /nfs/dbraw/zinc/18/21/18/640182118.db2.gz CIXZMDKNLSNRIF-ZKCHVHJHSA-N -1 3 237.255 0.654 20 0 BCADHM CCc1cccc(C(=O)Nc2nnn(C)n2)c1[O-] ZINC000912835545 640224040 /nfs/dbraw/zinc/22/40/40/640224040.db2.gz UBCKWMJRQZXNFM-UHFFFAOYSA-N -1 3 247.258 0.730 20 0 BCADHM CCCCOCCNc1cc(=O)[n-]cn1 ZINC000165211418 640548082 /nfs/dbraw/zinc/54/80/82/640548082.db2.gz DRPCUPRWVZXLQD-UHFFFAOYSA-N -1 3 211.265 0.999 20 0 BCADHM CNC(=O)[C@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000165230269 640549705 /nfs/dbraw/zinc/54/97/05/640549705.db2.gz JQNZROFMXRZBMD-YFKPBYRVSA-N -1 3 210.237 0.037 20 0 BCADHM O=c1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc[n-]1 ZINC000165309990 640554587 /nfs/dbraw/zinc/55/45/87/640554587.db2.gz WXJRZOGBXCPCSD-PRJMDXOYSA-N -1 3 207.233 0.502 20 0 BCADHM C[C@H]1COC[C@H]1NCc1cc(=O)n2[n-]ccc2n1 ZINC000932489750 640554808 /nfs/dbraw/zinc/55/48/08/640554808.db2.gz SDYHMIICIIJAHR-WCBMZHEXSA-N -1 3 248.286 0.147 20 0 BCADHM C[C@H](CC[S@](C)=O)Nc1cc(=O)[n-]cn1 ZINC000165363171 640563763 /nfs/dbraw/zinc/56/37/63/640563763.db2.gz MUKIAQHFKFTDKW-KWKYVRJSSA-N -1 3 229.305 0.339 20 0 BCADHM Cc1nc(N2CCS(=O)CC2)cc(=O)[n-]1 ZINC000165396818 640570261 /nfs/dbraw/zinc/57/02/61/640570261.db2.gz VULSQMFVGBAPME-UHFFFAOYSA-N -1 3 227.289 0.059 20 0 BCADHM CN(CC1CCOCC1)c1cc(=O)[n-]cn1 ZINC000165417060 640575137 /nfs/dbraw/zinc/57/51/37/640575137.db2.gz DHNJLISZAXNAQO-UHFFFAOYSA-N -1 3 223.276 0.633 20 0 BCADHM CC(=O)C1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000165671976 640588078 /nfs/dbraw/zinc/58/80/78/640588078.db2.gz WFTZJKPCODIMHR-UHFFFAOYSA-N -1 3 221.260 0.575 20 0 BCADHM CC(C)(C)C[C@@H](O)CNc1cc(=O)[n-]cn1 ZINC000226127662 640733106 /nfs/dbraw/zinc/73/31/06/640733106.db2.gz FTPCETPRBHNXHG-MRVPVSSYSA-N -1 3 225.292 0.979 20 0 BCADHM COc1cc[n-]c(=NNC(=O)[C@@H]2C[C@@H]2C)n1 ZINC000046363325 640738349 /nfs/dbraw/zinc/73/83/49/640738349.db2.gz PEGAAQPNYSVVEN-NKWVEPMBSA-N -1 3 222.248 0.584 20 0 BCADHM COc1cc[n-]c(=NNC(=O)[C@@H]2C[C@H]2C)n1 ZINC000046363324 640738898 /nfs/dbraw/zinc/73/88/98/640738898.db2.gz PEGAAQPNYSVVEN-RNFRBKRXSA-N -1 3 222.248 0.584 20 0 BCADHM C[S@](=O)CC[N-]C(=O)C(F)(F)C(F)F ZINC000226641543 640786976 /nfs/dbraw/zinc/78/69/76/640786976.db2.gz ONGIYALDPNROQH-AWEZNQCLSA-N -1 3 235.202 0.382 20 0 BCADHM O=c1[n-]c(CN[C@H](CCO)C2CCCC2)n[nH]1 ZINC000934010509 640805445 /nfs/dbraw/zinc/80/54/45/640805445.db2.gz ZVLSCPZLAOSQRT-SECBINFHSA-N -1 3 240.307 0.541 20 0 BCADHM C[C@H](CCO)[N-]C(=O)C(F)(F)C(F)F ZINC000227613755 640843562 /nfs/dbraw/zinc/84/35/62/640843562.db2.gz GOQSYLPLDPWXEQ-SCSAIBSYSA-N -1 3 217.162 0.774 20 0 BCADHM COC[C@H](C[N-]C(=O)C(F)(F)C(F)F)OC ZINC000227699987 640846044 /nfs/dbraw/zinc/84/60/44/640846044.db2.gz QJANGBFUAKDZMW-YFKPBYRVSA-N -1 3 247.188 0.664 20 0 BCADHM CC(C)N1CC(NC(=O)c2cnc[n-]c2=O)C1 ZINC001030497318 640884094 /nfs/dbraw/zinc/88/40/94/640884094.db2.gz BTCKBPRFDJWVTN-UHFFFAOYSA-N -1 3 236.275 0.005 20 0 BCADHM CCOc1nnc(NC(=O)c2ccnn2C)[n-]1 ZINC000228787444 640895882 /nfs/dbraw/zinc/89/58/82/640895882.db2.gz LZRJVEHQJCXFOI-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM CCOc1nc(NC(=O)c2ccnn2C)n[n-]1 ZINC000228787444 640895885 /nfs/dbraw/zinc/89/58/85/640895885.db2.gz LZRJVEHQJCXFOI-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM CCOc1n[n-]c(NC(=O)c2ccnn2C)n1 ZINC000228787444 640895887 /nfs/dbraw/zinc/89/58/87/640895887.db2.gz LZRJVEHQJCXFOI-UHFFFAOYSA-N -1 3 236.235 0.189 20 0 BCADHM O=C([N-]OCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000045040209 640922873 /nfs/dbraw/zinc/92/28/73/640922873.db2.gz LWGYIDRRAWMFCP-NXEZZACHSA-N -1 3 236.227 0.900 20 0 BCADHM CC(C)[C@H](C)NC(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC000062133578 641023009 /nfs/dbraw/zinc/02/30/09/641023009.db2.gz JXCQRBAIMAMMJK-UWVGGRQHSA-N -1 3 242.319 0.554 20 0 BCADHM CC(C)[C@@H](C)NC(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC000062133577 641024394 /nfs/dbraw/zinc/02/43/94/641024394.db2.gz JXCQRBAIMAMMJK-ZJUUUORDSA-N -1 3 242.319 0.554 20 0 BCADHM C[C@@H](C[S@](C)=O)[N-]C(=O)C(F)(F)C(F)F ZINC000230181667 641035025 /nfs/dbraw/zinc/03/50/25/641035025.db2.gz QTGDXWOXMXYOTI-NMAPHRJESA-N -1 3 249.229 0.770 20 0 BCADHM COc1nnc(NC(=O)COC(F)(F)F)[n-]1 ZINC000935192636 641360614 /nfs/dbraw/zinc/36/06/14/641360614.db2.gz FDGGESOMIIVORB-UHFFFAOYSA-N -1 3 240.141 0.288 20 0 BCADHM COc1nc(NC(=O)COC(F)(F)F)n[n-]1 ZINC000935192636 641360617 /nfs/dbraw/zinc/36/06/17/641360617.db2.gz FDGGESOMIIVORB-UHFFFAOYSA-N -1 3 240.141 0.288 20 0 BCADHM COc1n[n-]c(NC(=O)COC(F)(F)F)n1 ZINC000935192636 641360619 /nfs/dbraw/zinc/36/06/19/641360619.db2.gz FDGGESOMIIVORB-UHFFFAOYSA-N -1 3 240.141 0.288 20 0 BCADHM CCn1cc(CC(=O)Nc2ncccc2[O-])nn1 ZINC000935337131 641388576 /nfs/dbraw/zinc/38/85/76/641388576.db2.gz UTXQXMUEZZITRN-UHFFFAOYSA-N -1 3 247.258 0.580 20 0 BCADHM CO[C@@H]1C[C@H]1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000935338290 641389781 /nfs/dbraw/zinc/38/97/81/641389781.db2.gz JZBMQERVPWNORU-PSASIEDQSA-N -1 3 249.270 0.102 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1C(=O)[N-]OCC(C)(C)O ZINC000935688990 641460214 /nfs/dbraw/zinc/46/02/14/641460214.db2.gz AURJNKNEUFGAKK-HTQZYQBOSA-N -1 3 245.275 0.004 20 0 BCADHM O=C(Nc1ncccc1[O-])c1cnsn1 ZINC000047816396 641662360 /nfs/dbraw/zinc/66/23/60/641662360.db2.gz ITGFBQFNGBZCEH-UHFFFAOYSA-N -1 3 222.229 0.891 20 0 BCADHM CC[C@H](C(=O)[N-]OC[C@@H]1CCOC1)N(C)C ZINC000188337797 641753339 /nfs/dbraw/zinc/75/33/39/641753339.db2.gz ANVBYLSOSUCALV-NXEZZACHSA-N -1 3 230.308 0.411 20 0 BCADHM CC(C)CO[N-]C(=O)[C@@H](C)CS(C)(=O)=O ZINC000153361204 641768975 /nfs/dbraw/zinc/76/89/75/641768975.db2.gz AKWFTHDUFPOPCC-QMMMGPOBSA-N -1 3 237.321 0.371 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)C1CC(=O)C1 ZINC000189251337 641794540 /nfs/dbraw/zinc/79/45/40/641794540.db2.gz KZSRGQJHXDPRID-ZETCQYMHSA-N -1 3 213.233 0.050 20 0 BCADHM CCOCCOC(=O)c1cncc([O-])c1 ZINC000731915759 641821928 /nfs/dbraw/zinc/82/19/28/641821928.db2.gz LHGPAXQIMOMDKT-UHFFFAOYSA-N -1 3 211.217 0.981 20 0 BCADHM C=C(Cl)CNC(=O)NN=c1cccn[n-]1 ZINC000077790984 641881571 /nfs/dbraw/zinc/88/15/71/641881571.db2.gz UDFUBQZFJJVDBP-UHFFFAOYSA-N -1 3 227.655 0.855 20 0 BCADHM O=C(OCSCCc1nnn[n-]1)C1CC1 ZINC000917859554 642137073 /nfs/dbraw/zinc/13/70/73/642137073.db2.gz WGYVLLIDIBAZJK-UHFFFAOYSA-N -1 3 228.277 0.386 20 0 BCADHM O=C(OCSCCc1nn[n-]n1)C1CC1 ZINC000917859554 642137076 /nfs/dbraw/zinc/13/70/76/642137076.db2.gz WGYVLLIDIBAZJK-UHFFFAOYSA-N -1 3 228.277 0.386 20 0 BCADHM COc1ncc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C)s1 ZINC000918577574 642228822 /nfs/dbraw/zinc/22/88/22/642228822.db2.gz MREGVXIDQISMTG-NTSWFWBYSA-N -1 3 248.329 0.838 20 0 BCADHM CO[N-]C(=O)Cc1ccc(NC(C)=O)cc1 ZINC000070273794 642429727 /nfs/dbraw/zinc/42/97/27/642429727.db2.gz IXTZTCPCANRVEG-UHFFFAOYSA-N -1 3 222.244 0.865 20 0 BCADHM NC(=O)C[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000920864718 642555315 /nfs/dbraw/zinc/55/53/15/642555315.db2.gz BDLQFPXTXSGETA-UHFFFAOYSA-N -1 3 246.188 0.519 20 0 BCADHM O=C(CO)N[N-]C(=O)c1ccc(F)cc1Cl ZINC000180945793 642829248 /nfs/dbraw/zinc/82/92/48/642829248.db2.gz ZVRARUDWRJIGCV-UHFFFAOYSA-N -1 3 246.625 0.232 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1cccc2[nH]ccc21 ZINC000184733758 643232844 /nfs/dbraw/zinc/23/28/44/643232844.db2.gz ZYMVVNBTNCANPP-UHFFFAOYSA-N -1 3 248.242 0.706 20 0 BCADHM CCOCCO[N-]C(=O)C[C@H]1CCCO1 ZINC000184796394 643238466 /nfs/dbraw/zinc/23/84/66/643238466.db2.gz FUZLUCFJKDBYEK-SECBINFHSA-N -1 3 217.265 0.640 20 0 BCADHM O=C(Cc1cncnc1)[N-]OC/C=C\Cl ZINC000812408510 643310043 /nfs/dbraw/zinc/31/00/43/643310043.db2.gz JLWOJRXBJIXKEX-UPHRSURJSA-N -1 3 227.651 0.819 20 0 BCADHM O=C([N-]CCN1CC=CCC1)C(F)(F)F ZINC000307003406 643393973 /nfs/dbraw/zinc/39/39/73/643393973.db2.gz DGQSBYZRUYHRPC-UHFFFAOYSA-N -1 3 222.210 0.927 20 0 BCADHM CO[N-]C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000049057766 643611393 /nfs/dbraw/zinc/61/13/93/643611393.db2.gz TYBSVLFMULYKGS-VIFPVBQESA-N -1 3 242.319 0.949 20 0 BCADHM CO[N-]C(=O)CNCc1cnn(C2CCC2)c1 ZINC000922827857 644104089 /nfs/dbraw/zinc/10/40/89/644104089.db2.gz JBLDXSZIBRVTFM-UHFFFAOYSA-N -1 3 238.291 0.375 20 0 BCADHM CO[N-]C(=O)CNCc1ccc(OC)cc1F ZINC000922828624 644104233 /nfs/dbraw/zinc/10/42/33/644104233.db2.gz YVSQZSCBWYYQEX-UHFFFAOYSA-N -1 3 242.250 0.602 20 0 BCADHM CO[N-]C(=O)CNCc1cnn(C(C)C)c1 ZINC000922829945 644115031 /nfs/dbraw/zinc/11/50/31/644115031.db2.gz KEAZRDQBCZTESX-UHFFFAOYSA-N -1 3 226.280 0.231 20 0 BCADHM CC1(C)C(C(=O)[N-]OCC(N)=O)C1(C)C ZINC000089463443 644553175 /nfs/dbraw/zinc/55/31/75/644553175.db2.gz MDTPMEMHLXGAOJ-UHFFFAOYSA-N -1 3 214.265 0.202 20 0 BCADHM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]OCC(N)=O)C1(C)C ZINC000089464423 644553235 /nfs/dbraw/zinc/55/32/35/644553235.db2.gz CCGXOBFTHNYADF-SCZZXKLOSA-N -1 3 240.303 0.758 20 0 BCADHM CC(C)(C)CCCC(=O)[N-]OCC(N)=O ZINC000089463227 644553745 /nfs/dbraw/zinc/55/37/45/644553745.db2.gz UPMLJBMQJHVJPS-UHFFFAOYSA-N -1 3 216.281 0.736 20 0 BCADHM O=c1[n-]c(=O)n(Cc2cscn2)cc1Cl ZINC000091329533 644622798 /nfs/dbraw/zinc/62/27/98/644622798.db2.gz RVICINYSRGJDPL-UHFFFAOYSA-N -1 3 243.675 0.695 20 0 BCADHM C[C@@H](CS(C)(=O)=O)C(=O)[N-]OC1CCCC1 ZINC000774863919 644698207 /nfs/dbraw/zinc/69/82/07/644698207.db2.gz KXCNYACHFXGKAU-QMMMGPOBSA-N -1 3 249.332 0.658 20 0 BCADHM CCONC(=O)NCc1ncccc1[O-] ZINC000792177982 644794379 /nfs/dbraw/zinc/79/43/79/644794379.db2.gz IAYNTMMONQPIGY-UHFFFAOYSA-N -1 3 211.221 0.538 20 0 BCADHM O=C(NCc1ncccc1[O-])c1cccc[n+]1[O-] ZINC000792610249 644799394 /nfs/dbraw/zinc/79/93/94/644799394.db2.gz OYOZRXLNZNNNEO-UHFFFAOYSA-N -1 3 245.238 0.351 20 0 BCADHM COc1cccc([O-])c1C(=O)N(C)CCO ZINC000096785610 644836417 /nfs/dbraw/zinc/83/64/17/644836417.db2.gz VBJGWRAWKURKMH-UHFFFAOYSA-N -1 3 225.244 0.465 20 0 BCADHM CC(C)N(CC(=O)[O-])C(=O)[C@H](N)CC1CC1 ZINC000304377588 644897936 /nfs/dbraw/zinc/89/79/36/644897936.db2.gz PYEOKSLZCPOVEO-SECBINFHSA-N -1 3 228.292 0.435 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](N)CC1CC1 ZINC000304390477 644900066 /nfs/dbraw/zinc/90/00/66/644900066.db2.gz SWTREDMTQJVJLH-RKDXNWHRSA-N -1 3 228.292 0.435 20 0 BCADHM CC(C)N(C)CC(=O)[N-]OCC1CC1 ZINC000817357361 644975035 /nfs/dbraw/zinc/97/50/35/644975035.db2.gz FWFUJHWHMYRUCT-UHFFFAOYSA-N -1 3 200.282 0.784 20 0 BCADHM C[C@]1(NC(=O)c2ccc(N)cc2[O-])CCOC1 ZINC000817984357 644995826 /nfs/dbraw/zinc/99/58/26/644995826.db2.gz QYRHAOWDOOQDSA-LBPRGKRZSA-N -1 3 236.271 0.883 20 0 BCADHM Cn1cnc(/C=C\C(=O)[N-]OC(C)(C)CO)c1 ZINC000821232040 645031870 /nfs/dbraw/zinc/03/18/70/645031870.db2.gz OQDHQKKHTHJZDZ-PLNGDYQASA-N -1 3 239.275 0.252 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1cc(C(N)=O)no1 ZINC000830004571 645112776 /nfs/dbraw/zinc/11/27/76/645112776.db2.gz MHQSLBHVKCIHHS-UHFFFAOYSA-N -1 3 247.201 0.435 20 0 BCADHM CCO[N-]C(=O)CNCc1c(C)n[nH]c1C ZINC000846091770 645402232 /nfs/dbraw/zinc/40/22/32/645402232.db2.gz VDPPGPLQTAYYLK-UHFFFAOYSA-N -1 3 226.280 0.184 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)C(F)F ZINC000847020117 645416672 /nfs/dbraw/zinc/41/66/72/645416672.db2.gz ATJJFWKNFYUGRG-UHFFFAOYSA-N -1 3 219.147 0.400 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)C(F)F ZINC000847020117 645416677 /nfs/dbraw/zinc/41/66/77/645416677.db2.gz ATJJFWKNFYUGRG-UHFFFAOYSA-N -1 3 219.147 0.400 20 0 BCADHM CC(C)O[N-]C(=O)CCc1cncnc1 ZINC000857522433 645588971 /nfs/dbraw/zinc/58/89/71/645588971.db2.gz IVRSFNGUGYLFGC-UHFFFAOYSA-N -1 3 209.249 0.865 20 0 BCADHM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1cn[n-]n1 ZINC000928045088 645690588 /nfs/dbraw/zinc/69/05/88/645690588.db2.gz KQPOLCRRRROBHJ-OOJXKGFFSA-N -1 3 206.249 0.579 20 0 BCADHM CCCO[N-]C(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC000862103099 645694023 /nfs/dbraw/zinc/69/40/23/645694023.db2.gz BEMTUVGVZURHPB-HTQZYQBOSA-N -1 3 214.265 0.359 20 0 BCADHM O=C(N[C@@H]1CCOC12CCCC2)c1cn[n-]n1 ZINC000890422695 645773320 /nfs/dbraw/zinc/77/33/20/645773320.db2.gz WYKHDZWQCZOHPF-SECBINFHSA-N -1 3 236.275 0.636 20 0 BCADHM CCc1ccc(C(=O)N2CCOCN2)c([O-])c1 ZINC000928949602 645908018 /nfs/dbraw/zinc/90/80/18/645908018.db2.gz MAIWQWDEHBNOCS-UHFFFAOYSA-N -1 3 236.271 0.889 20 0 BCADHM Cc1cccc(C(=O)N2CCOCN2)c1[O-] ZINC000928953941 645910541 /nfs/dbraw/zinc/91/05/41/645910541.db2.gz SXTNVSDXENZYRN-UHFFFAOYSA-N -1 3 222.244 0.635 20 0 BCADHM CCCNC(=S)NN=c1nc(OC)cc[n-]1 ZINC000046103580 711928092 /nfs/dbraw/zinc/92/80/92/711928092.db2.gz GIFNTKZXGLMVFB-UHFFFAOYSA-N -1 3 241.320 0.686 20 0 BCADHM Cc1nc(NCCOCCF)cc(=O)[n-]1 ZINC000702602172 712056197 /nfs/dbraw/zinc/05/61/97/712056197.db2.gz CEGNPVQJJZWDBA-UHFFFAOYSA-N -1 3 215.228 0.889 20 0 BCADHM Cc1cc(=O)[n-]c(CSc2nc(N)n[nH]2)n1 ZINC000381533209 710651448 /nfs/dbraw/zinc/65/14/48/710651448.db2.gz FQISCAQJCYADCO-UHFFFAOYSA-N -1 3 238.276 0.314 20 0 BCADHM CC(C)(O)[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000721803466 710684951 /nfs/dbraw/zinc/68/49/51/710684951.db2.gz IMTHMCIFBJPIAO-MRVPVSSYSA-N -1 3 223.276 0.779 20 0 BCADHM Cc1nc(N2C[C@@H](O)C[C@@H]2C)cc(=O)[n-]1 ZINC000385113585 711005997 /nfs/dbraw/zinc/00/59/97/711005997.db2.gz WMBPEHRUEZPQIX-XPUUQOCRSA-N -1 3 209.249 0.450 20 0 BCADHM Cn1ncc(CNC(=O)c2c([O-])cccc2O)n1 ZINC000389992985 711103590 /nfs/dbraw/zinc/10/35/90/711103590.db2.gz PBZBBAQGUGCTLH-UHFFFAOYSA-N -1 3 248.242 0.156 20 0 BCADHM COCCOCCN(C)c1cc(=O)[n-]cn1 ZINC000381006144 710597465 /nfs/dbraw/zinc/59/74/65/710597465.db2.gz QMUVWQRRDWHVRK-UHFFFAOYSA-N -1 3 227.264 0.281 20 0 BCADHM O=C([O-])[C@H]1CN(CCCC2CC2)CCO1 ZINC000394485511 711194145 /nfs/dbraw/zinc/19/41/45/711194145.db2.gz AEUNGZGKCZMODC-SNVBAGLBSA-N -1 3 213.277 0.962 20 0 BCADHM CC(C)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001038183544 711474591 /nfs/dbraw/zinc/47/45/91/711474591.db2.gz KIYYEBYQNIKARG-JTQLQIEISA-N -1 3 249.314 1.000 20 0 BCADHM CC(=O)NCCCNc1cc(=O)[n-]cn1 ZINC000383496338 711494475 /nfs/dbraw/zinc/49/44/75/711494475.db2.gz VUCYHTZBEIKLLS-UHFFFAOYSA-N -1 3 210.237 0.120 20 0 BCADHM Cc1cnc(C(=O)[N-]N2CCCC2=O)cc1C ZINC000935291671 711656101 /nfs/dbraw/zinc/65/61/01/711656101.db2.gz WSGVRHKZIWFUSX-UHFFFAOYSA-N -1 3 233.271 0.966 20 0 BCADHM CC(=O)N[C@@H]1CCN(c2cc(=O)[n-]c(C)n2)C1 ZINC000162900180 711680890 /nfs/dbraw/zinc/68/08/90/711680890.db2.gz WRUUNGMIMQJCOX-SECBINFHSA-N -1 3 236.275 0.205 20 0 BCADHM CCOc1nnc(NC(=O)Cc2cccnc2)[n-]1 ZINC000228772753 711836524 /nfs/dbraw/zinc/83/65/24/711836524.db2.gz OOIGZBVWSZTAEB-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM CCOc1nc(NC(=O)Cc2cccnc2)n[n-]1 ZINC000228772753 711836525 /nfs/dbraw/zinc/83/65/25/711836525.db2.gz OOIGZBVWSZTAEB-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM CCOc1n[n-]c(NC(=O)Cc2cccnc2)n1 ZINC000228772753 711836526 /nfs/dbraw/zinc/83/65/26/711836526.db2.gz OOIGZBVWSZTAEB-UHFFFAOYSA-N -1 3 247.258 0.780 20 0 BCADHM COCC(COC)Nc1cc(=O)[n-]cn1 ZINC000388410834 711876675 /nfs/dbraw/zinc/87/66/75/711876675.db2.gz XRKNITPWNODDGC-UHFFFAOYSA-N -1 3 213.237 0.256 20 0 BCADHM CC[C@H](C)NC(=O)[C@@H](C)O[N-]C(C)=O ZINC000180806870 711890074 /nfs/dbraw/zinc/89/00/74/711890074.db2.gz CWRAGRMXRZXXPD-NKWVEPMBSA-N -1 3 202.254 0.357 20 0 BCADHM CC[C@@H](C)NC(=O)[C@H](C)O[N-]C(C)=O ZINC000180806890 711890390 /nfs/dbraw/zinc/89/03/90/711890390.db2.gz CWRAGRMXRZXXPD-RQJHMYQMSA-N -1 3 202.254 0.357 20 0 BCADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@H](C)O ZINC000451759314 711952661 /nfs/dbraw/zinc/95/26/61/711952661.db2.gz ROSCZPOTOUNMRD-SFYZADRCSA-N -1 3 241.262 0.959 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(N)=O)o1 ZINC000358458199 711955099 /nfs/dbraw/zinc/95/50/99/711955099.db2.gz DPSJBCLQOURTIF-LURJTMIESA-N -1 3 246.288 0.130 20 0 BCADHM CO[C@@](C)(CO)C[N-]C(=O)C(F)(F)C(F)F ZINC000702486474 712053388 /nfs/dbraw/zinc/05/33/88/712053388.db2.gz WJBMGKZOAJLENP-SSDOTTSWSA-N -1 3 247.188 0.400 20 0 BCADHM CC[C@@H](C)C[C@@H](N)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000703174217 712067572 /nfs/dbraw/zinc/06/75/72/712067572.db2.gz OXRHBASDHOKKRK-ZYUZMQFOSA-N -1 3 242.319 0.729 20 0 BCADHM Cc1nc(N[C@@H]2CCCN(C)C2=O)cc(=O)[n-]1 ZINC000704387265 712105434 /nfs/dbraw/zinc/10/54/34/712105434.db2.gz NYKBTYXGGZFVPJ-MRVPVSSYSA-N -1 3 236.275 0.523 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CC23CC3)[n-]1 ZINC000705175928 712125774 /nfs/dbraw/zinc/12/57/74/712125774.db2.gz CIQPTXDSJISOPL-ZCFIWIBFSA-N -1 3 222.248 0.942 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CC23CC3)n[n-]1 ZINC000705175928 712125775 /nfs/dbraw/zinc/12/57/75/712125775.db2.gz CIQPTXDSJISOPL-ZCFIWIBFSA-N -1 3 222.248 0.942 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CC23CC3)n1 ZINC000705175928 712125776 /nfs/dbraw/zinc/12/57/76/712125776.db2.gz CIQPTXDSJISOPL-ZCFIWIBFSA-N -1 3 222.248 0.942 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCCOCCO ZINC000706598710 712150548 /nfs/dbraw/zinc/15/05/48/712150548.db2.gz WEBAFMMSBDYFIC-UHFFFAOYSA-N -1 3 239.271 0.439 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCCn1cncn1 ZINC000706656680 712151026 /nfs/dbraw/zinc/15/10/26/712151026.db2.gz LOLHQIWFRJWIOK-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM CCOC[C@@H]1CN(c2cc(=O)[n-]cn2)CCO1 ZINC000706663841 712151559 /nfs/dbraw/zinc/15/15/59/712151559.db2.gz ZCEMCZATEQSVBA-VIFPVBQESA-N -1 3 239.275 0.424 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2C[C@H]2OCC)[n-]1 ZINC000709670688 712214634 /nfs/dbraw/zinc/21/46/34/712214634.db2.gz BCACFSPZJBWSQQ-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2C[C@H]2OCC)n[n-]1 ZINC000709670688 712214635 /nfs/dbraw/zinc/21/46/35/712214635.db2.gz BCACFSPZJBWSQQ-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2C[C@H]2OCC)n1 ZINC000709670688 712214636 /nfs/dbraw/zinc/21/46/36/712214636.db2.gz BCACFSPZJBWSQQ-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM C[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cc(=O)[n-]cn1 ZINC000711740905 712321640 /nfs/dbraw/zinc/32/16/40/712321640.db2.gz WILBVMKIPOBFDH-RQJHMYQMSA-N -1 3 243.288 0.027 20 0 BCADHM O=C(NC12CCN(CC1)C2)c1ncccc1[O-] ZINC000715556059 712528407 /nfs/dbraw/zinc/52/84/07/712528407.db2.gz ORVLKAPHAVTCNG-UHFFFAOYSA-N -1 3 233.271 0.365 20 0 BCADHM C[C@H](C(=O)NC(C)(C)C)N(C)CCC(=O)[O-] ZINC000037933122 712788326 /nfs/dbraw/zinc/78/83/26/712788326.db2.gz WKEJFYGTXZAHDC-MRVPVSSYSA-N -1 3 230.308 0.696 20 0 BCADHM O=c1cc(N2CC[C@H](C3OCCO3)C2)nc[n-]1 ZINC000719018377 712793658 /nfs/dbraw/zinc/79/36/58/712793658.db2.gz CFVANWJLLPLAEN-QMMMGPOBSA-N -1 3 237.259 0.381 20 0 BCADHM COc1nnc(NC(=O)[C@H](C)[C@@H]2CCCO2)[n-]1 ZINC000720591079 712855825 /nfs/dbraw/zinc/85/58/25/712855825.db2.gz MDWXKOJYDJGESR-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@H](C)[C@@H]2CCCO2)n[n-]1 ZINC000720591079 712855826 /nfs/dbraw/zinc/85/58/26/712855826.db2.gz MDWXKOJYDJGESR-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](C)[C@@H]2CCCO2)n1 ZINC000720591079 712855827 /nfs/dbraw/zinc/85/58/27/712855827.db2.gz MDWXKOJYDJGESR-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-]Cc1nc[nH]n1 ZINC000271973032 398144914 /nfs/dbraw/zinc/14/49/14/398144914.db2.gz RUIJDOQZLLHELB-UHFFFAOYSA-N -1 3 223.063 0.615 20 0 BCADHM CCC[C@@H](O)CNC(=O)c1cccc2nn[n-]c21 ZINC000188443131 346812859 /nfs/dbraw/zinc/81/28/59/346812859.db2.gz OGJHPVHWCADYAF-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM CCC[C@@H](O)CNC(=O)c1cccc2[n-]nnc21 ZINC000188443131 346812863 /nfs/dbraw/zinc/81/28/63/346812863.db2.gz OGJHPVHWCADYAF-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM CCC[C@@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC000188443131 346812868 /nfs/dbraw/zinc/81/28/68/346812868.db2.gz OGJHPVHWCADYAF-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@H](O)CCNC(=O)c1cccc2nn[n-]c21 ZINC000188493552 346816876 /nfs/dbraw/zinc/81/68/76/346816876.db2.gz XLFDCUPTOMZZFA-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@H](O)CCNC(=O)c1cccc2[n-]nnc21 ZINC000188493552 346816879 /nfs/dbraw/zinc/81/68/79/346816879.db2.gz XLFDCUPTOMZZFA-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@H](O)CCNC(=O)c1cccc2n[n-]nc21 ZINC000188493552 346816880 /nfs/dbraw/zinc/81/68/80/346816880.db2.gz XLFDCUPTOMZZFA-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1CCOC1 ZINC000109888919 136215520 /nfs/dbraw/zinc/21/55/20/136215520.db2.gz GHXIPKPBWXRMIP-SSDOTTSWSA-N -1 3 208.217 0.762 20 0 BCADHM C[C@H]1C[C@H](O)CN1C(=O)c1ccccc1[O-] ZINC000334220807 136215632 /nfs/dbraw/zinc/21/56/32/136215632.db2.gz SDTHDTGSEGPRBR-IUCAKERBSA-N -1 3 221.256 0.988 20 0 BCADHM COc1cc(=NC(=O)N[C@H]2CC23CC3)[n-]n1C ZINC000519537081 398176409 /nfs/dbraw/zinc/17/64/09/398176409.db2.gz DQBNOQLVCVBNDH-ZETCQYMHSA-N -1 3 236.275 0.525 20 0 BCADHM O=C(NC1COCCOC1)c1cccc([O-])c1 ZINC000380166981 398189641 /nfs/dbraw/zinc/18/96/41/398189641.db2.gz WBBWCVYDPFVRMA-UHFFFAOYSA-N -1 3 237.255 0.537 20 0 BCADHM Cc1cc([N-]C(=O)c2cnn(C)n2)no1 ZINC000074702492 178151381 /nfs/dbraw/zinc/15/13/81/178151381.db2.gz QZNDTAQVPOFLMJ-UHFFFAOYSA-N -1 3 207.193 0.364 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](O)C2)n1 ZINC000192573317 178203944 /nfs/dbraw/zinc/20/39/44/178203944.db2.gz PRQNHDYHIULWHL-BDAKNGLRSA-N -1 3 223.276 0.618 20 0 BCADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000128836227 136227004 /nfs/dbraw/zinc/22/70/04/136227004.db2.gz JCDFWXRJJVFOQR-YUMQZZPRSA-N -1 3 229.305 0.877 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2c[n-]nn2)CCO1 ZINC000220134631 398251182 /nfs/dbraw/zinc/25/11/82/398251182.db2.gz QYFINMPWWFZWKO-RQJHMYQMSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cnn[n-]2)CCO1 ZINC000220134631 398251184 /nfs/dbraw/zinc/25/11/84/398251184.db2.gz QYFINMPWWFZWKO-RQJHMYQMSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)CCO1 ZINC000220134631 398251185 /nfs/dbraw/zinc/25/11/85/398251185.db2.gz QYFINMPWWFZWKO-RQJHMYQMSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2c[n-]nn2)CCO1 ZINC000220134711 398251461 /nfs/dbraw/zinc/25/14/61/398251461.db2.gz QYFINMPWWFZWKO-BQBZGAKWSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cnn[n-]2)CCO1 ZINC000220134711 398251463 /nfs/dbraw/zinc/25/14/63/398251463.db2.gz QYFINMPWWFZWKO-BQBZGAKWSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)CCO1 ZINC000220134711 398251465 /nfs/dbraw/zinc/25/14/65/398251465.db2.gz QYFINMPWWFZWKO-BQBZGAKWSA-N -1 3 210.237 0.102 20 0 BCADHM CC1(C)CN(c2nc3nncc-3c(O)[n-]2)C[C@H]1O ZINC000576697118 365659719 /nfs/dbraw/zinc/65/97/19/365659719.db2.gz MGJNQVPEABNJJM-SSDOTTSWSA-N -1 3 249.274 0.266 20 0 BCADHM CCCCN(C)CCNC(=O)C(C)(C)C(=O)[O-] ZINC000649461900 398263079 /nfs/dbraw/zinc/26/30/79/398263079.db2.gz OYKVZDMPJVPMOF-UHFFFAOYSA-N -1 3 244.335 0.945 20 0 BCADHM C[C@@H](C(=O)NCCCc1nc(=O)[n-][nH]1)C1CC1 ZINC000176272727 538949977 /nfs/dbraw/zinc/94/99/77/538949977.db2.gz UICWUIOGCHGZBX-SSDOTTSWSA-N -1 3 238.291 0.193 20 0 BCADHM Cc1ccc(C(=O)N(C)C[C@H](O)CO)c([O-])c1 ZINC000273646319 178378071 /nfs/dbraw/zinc/37/80/71/178378071.db2.gz AHWYXAMWIJXVFF-VIFPVBQESA-N -1 3 239.271 0.126 20 0 BCADHM Cc1ccc(C(=O)N(C)CCO)c([O-])c1 ZINC000037853995 178378591 /nfs/dbraw/zinc/37/85/91/178378591.db2.gz HVCUVHXFICOYRP-UHFFFAOYSA-N -1 3 209.245 0.765 20 0 BCADHM CC(C)[C@@H](CO)NC(=O)c1cccc2nn[n-]c21 ZINC000188678533 346832716 /nfs/dbraw/zinc/83/27/16/346832716.db2.gz LKRVQQKVZYSSLU-SNVBAGLBSA-N -1 3 248.286 0.705 20 0 BCADHM CC(C)[C@@H](CO)NC(=O)c1cccc2[n-]nnc21 ZINC000188678533 346832720 /nfs/dbraw/zinc/83/27/20/346832720.db2.gz LKRVQQKVZYSSLU-SNVBAGLBSA-N -1 3 248.286 0.705 20 0 BCADHM CC(C)[C@@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC000188678533 346832724 /nfs/dbraw/zinc/83/27/24/346832724.db2.gz LKRVQQKVZYSSLU-SNVBAGLBSA-N -1 3 248.286 0.705 20 0 BCADHM Cc1ccc(C(=O)NC[C@H](C)O)c([O-])c1 ZINC000035108188 178413892 /nfs/dbraw/zinc/41/38/92/178413892.db2.gz XGKQRGDVKIULKC-QMMMGPOBSA-N -1 3 209.245 0.811 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCc1nnnn1C ZINC000629981279 361829929 /nfs/dbraw/zinc/82/99/29/361829929.db2.gz GBRPPSGSTJHFNF-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM C[C@H](N(C)CC(=O)NCC(=O)[O-])C(C)(C)C ZINC000650517299 398277738 /nfs/dbraw/zinc/27/77/38/398277738.db2.gz FKYCWNFUXOQPMV-QMMMGPOBSA-N -1 3 230.308 0.554 20 0 BCADHM CCC(CC)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000298608499 168385459 /nfs/dbraw/zinc/38/54/59/168385459.db2.gz QSBYCFSSCTYYOP-UHFFFAOYSA-N -1 3 239.275 0.404 20 0 BCADHM CCC(CC)NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000266234349 168386805 /nfs/dbraw/zinc/38/68/05/168386805.db2.gz LRJUVGPEDFPSAJ-UHFFFAOYSA-N -1 3 240.263 0.388 20 0 BCADHM Cc1cc(C[N-]S(=O)(=O)[C@@H]2CCOC2)no1 ZINC000605318810 342750799 /nfs/dbraw/zinc/75/07/99/342750799.db2.gz VUQRVFUZTITHSZ-SECBINFHSA-N -1 3 246.288 0.191 20 0 BCADHM CC[C@H](NC(=O)C1(N)CCCCC1)C(=O)[O-] ZINC000040482268 538971790 /nfs/dbraw/zinc/97/17/90/538971790.db2.gz BKDACVOBUWYSAN-QMMMGPOBSA-N -1 3 228.292 0.627 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@H]3CO[C@H](C4CC4)C3)c1-2 ZINC000624672956 342816773 /nfs/dbraw/zinc/81/67/73/342816773.db2.gz BXKSGOGVKPBFIE-SCZZXKLOSA-N -1 3 245.286 0.706 20 0 BCADHM CNC(=O)CCNC(=O)c1c(C)cccc1[O-] ZINC000624644150 342806986 /nfs/dbraw/zinc/80/69/86/342806986.db2.gz HLSCBOQWJPETBI-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CCC(=O)CC1 ZINC000232431763 342834982 /nfs/dbraw/zinc/83/49/82/342834982.db2.gz BHZFILZVINEPBX-UHFFFAOYSA-N -1 3 235.239 0.903 20 0 BCADHM CCc1cc(C(=O)N[C@@H]2CNC(=O)C2)ccc1[O-] ZINC000335682225 398293110 /nfs/dbraw/zinc/29/31/10/398293110.db2.gz TYJXQEKVWQTDKA-JTQLQIEISA-N -1 3 248.282 0.573 20 0 BCADHM COCCCCCNC(=O)c1cc(=O)[n-]cn1 ZINC000624903753 342837606 /nfs/dbraw/zinc/83/76/06/342837606.db2.gz XRWDBZHYOJCALD-UHFFFAOYSA-N -1 3 239.275 0.729 20 0 BCADHM CC(C)CCN(C)CC(=O)NCC(=O)[O-] ZINC000390375910 539021324 /nfs/dbraw/zinc/02/13/24/539021324.db2.gz XTHRJADRZNRPQA-UHFFFAOYSA-N -1 3 216.281 0.165 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H]1CO ZINC000042434204 361999941 /nfs/dbraw/zinc/99/99/41/361999941.db2.gz SJYYKJYKCGKAPV-VIFPVBQESA-N -1 3 246.270 0.555 20 0 BCADHM Cc1nc(C)c(CCC(=O)NC2CC2)c(=O)[n-]1 ZINC000012606991 342855343 /nfs/dbraw/zinc/85/53/43/342855343.db2.gz VDKRWOPBFPQBFW-UHFFFAOYSA-N -1 3 235.287 0.598 20 0 BCADHM C[C@@H]1CCN(Cc2ncccc2[O-])[C@@H](C(N)=O)C1 ZINC000519476849 398305201 /nfs/dbraw/zinc/30/52/01/398305201.db2.gz CJTJQNPXHCPVOF-MWLCHTKSSA-N -1 3 249.314 0.873 20 0 BCADHM COC[C@@](C)(CCO)NCc1ncccc1[O-] ZINC000519476881 398305242 /nfs/dbraw/zinc/30/52/42/398305242.db2.gz DYWIAZKVACZLID-GFCCVEGCSA-N -1 3 240.303 0.664 20 0 BCADHM CN(C[C@@H]1CCCO1)C(=O)c1cc(=O)[n-]cn1 ZINC000625116929 342874998 /nfs/dbraw/zinc/87/49/98/342874998.db2.gz JRUXSCGFKSYIMX-QMMMGPOBSA-N -1 3 237.259 0.433 20 0 BCADHM CO[C@H](C)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000625102025 342856709 /nfs/dbraw/zinc/85/67/09/342856709.db2.gz IFOPYNXIBDJTBR-SSDOTTSWSA-N -1 3 225.248 0.337 20 0 BCADHM CC[C@H](NCc1nc(=O)n(C)[n-]1)[C@H]1CCCO1 ZINC000329433085 398309723 /nfs/dbraw/zinc/30/97/23/398309723.db2.gz LBAMUOJVZATXAU-DTWKUNHWSA-N -1 3 240.307 0.156 20 0 BCADHM CO[N-]C(=O)Cc1cc(OC)ccc1OC ZINC000096992221 398314708 /nfs/dbraw/zinc/31/47/08/398314708.db2.gz DBEUQMKFHVXFAF-UHFFFAOYSA-N -1 3 225.244 0.924 20 0 BCADHM O=C([O-])c1ccc(NCCN2CC=CCC2)nc1 ZINC000392200444 398315511 /nfs/dbraw/zinc/31/55/11/398315511.db2.gz IEMDMPWXDJQMDS-UHFFFAOYSA-N -1 3 247.298 0.876 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCOC[C@@H]2C)[n-]1 ZINC000192842947 398323933 /nfs/dbraw/zinc/32/39/33/398323933.db2.gz PEFBSPLJSPGVQO-BQBZGAKWSA-N -1 3 240.263 0.424 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCOC[C@@H]2C)n[n-]1 ZINC000192842947 398323934 /nfs/dbraw/zinc/32/39/34/398323934.db2.gz PEFBSPLJSPGVQO-BQBZGAKWSA-N -1 3 240.263 0.424 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCOC[C@@H]2C)n1 ZINC000192842947 398323936 /nfs/dbraw/zinc/32/39/36/398323936.db2.gz PEFBSPLJSPGVQO-BQBZGAKWSA-N -1 3 240.263 0.424 20 0 BCADHM CCCCS(=O)(=O)[N-]Cc1noc(C)n1 ZINC000173398210 346870627 /nfs/dbraw/zinc/87/06/27/346870627.db2.gz PHXODNFJRUNUFY-UHFFFAOYSA-N -1 3 233.293 0.598 20 0 BCADHM CC1(C)C(=O)NCCN1C(=O)c1cccc([O-])c1 ZINC000106359511 398327427 /nfs/dbraw/zinc/32/74/27/398327427.db2.gz KVPDLXZHJMGQJM-UHFFFAOYSA-N -1 3 248.282 0.743 20 0 BCADHM C[C@H](NC(=O)[C@H](N)CC1CCCCC1)C(=O)[O-] ZINC000302324815 259330455 /nfs/dbraw/zinc/33/04/55/259330455.db2.gz FIEAPYTZYWEVCC-WCBMZHEXSA-N -1 3 242.319 0.873 20 0 BCADHM C[C@@H]1CC[C@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC000351651280 136249418 /nfs/dbraw/zinc/24/94/18/136249418.db2.gz QRZBICDREMEOCQ-BDAKNGLRSA-N -1 3 240.307 0.493 20 0 BCADHM CN(C)[C@@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000111740157 398332251 /nfs/dbraw/zinc/33/22/51/398332251.db2.gz GIFVUDIMOFSJKL-SNVBAGLBSA-N -1 3 235.287 0.563 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@H](C)[C@H](O)C2)n1 ZINC000351818984 136255723 /nfs/dbraw/zinc/25/57/23/136255723.db2.gz JOVIIEGJZFXCRV-WCBMZHEXSA-N -1 3 237.303 0.557 20 0 BCADHM C[C@@H](NC(=O)[C@H]1NCCCC1(C)C)C(=O)[O-] ZINC000235174786 342991813 /nfs/dbraw/zinc/99/18/13/342991813.db2.gz RLWOKDYITVEDAA-HTQZYQBOSA-N -1 3 228.292 0.354 20 0 BCADHM C[C@H](O)Cn1ncc2cc([O-])ccc2c1=O ZINC000634613191 343010177 /nfs/dbraw/zinc/01/01/77/343010177.db2.gz RVWIQMPXKTZUHC-ZETCQYMHSA-N -1 3 220.228 0.483 20 0 BCADHM C[C@H]1CCCN(C(=O)CNC2CC2)[C@H]1C(=O)[O-] ZINC000235629289 343054779 /nfs/dbraw/zinc/05/47/79/343054779.db2.gz BUMYECMOUAEVLA-GZMMTYOYSA-N -1 3 240.303 0.450 20 0 BCADHM Cc1ccc(OCCNC(=O)c2c[n-]nn2)cc1 ZINC000048889443 343066862 /nfs/dbraw/zinc/06/68/62/343066862.db2.gz RCMCZZOOQPGGSF-UHFFFAOYSA-N -1 3 246.270 0.922 20 0 BCADHM Cc1ccc(OCCNC(=O)c2cnn[n-]2)cc1 ZINC000048889443 343066863 /nfs/dbraw/zinc/06/68/63/343066863.db2.gz RCMCZZOOQPGGSF-UHFFFAOYSA-N -1 3 246.270 0.922 20 0 BCADHM Cc1ccc(OCCNC(=O)c2cn[n-]n2)cc1 ZINC000048889443 343066864 /nfs/dbraw/zinc/06/68/64/343066864.db2.gz RCMCZZOOQPGGSF-UHFFFAOYSA-N -1 3 246.270 0.922 20 0 BCADHM Cc1noc([N-]C(=O)c2cnc(C)cn2)n1 ZINC000042702874 362019127 /nfs/dbraw/zinc/01/91/27/362019127.db2.gz YGLBTZSPOKEMJV-UHFFFAOYSA-N -1 3 219.204 0.729 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CC2CCC2)n1 ZINC000634534603 362028906 /nfs/dbraw/zinc/02/89/06/362028906.db2.gz ASFQLIPTHKUIPD-UHFFFAOYSA-N -1 3 229.305 0.941 20 0 BCADHM CCc1nnc(S(=O)(=O)CC2CCC2)[n-]1 ZINC000634534603 362028913 /nfs/dbraw/zinc/02/89/13/362028913.db2.gz ASFQLIPTHKUIPD-UHFFFAOYSA-N -1 3 229.305 0.941 20 0 BCADHM Cc1nnc([N-]C(=O)c2nccs2)n1C ZINC000683568442 488198393 /nfs/dbraw/zinc/19/83/93/488198393.db2.gz JIWXQYDCRCIJPX-UHFFFAOYSA-N -1 3 223.261 0.832 20 0 BCADHM CC[C@@H](C)CN1CCO[C@H](C(=O)[O-])C1 ZINC000050427045 343153032 /nfs/dbraw/zinc/15/30/32/343153032.db2.gz JADCWRBMLJRNNC-BDAKNGLRSA-N -1 3 201.266 0.818 20 0 BCADHM O=C([O-])[C@H]1CSCCN1C[C@H]1CCCO1 ZINC000126752182 343171205 /nfs/dbraw/zinc/17/12/05/343171205.db2.gz RNYOCLPXDYDDEJ-RKDXNWHRSA-N -1 3 231.317 0.667 20 0 BCADHM O=C(Nc1nnn[n-]1)[C@@H]1NCCc2ccccc21 ZINC000237948338 343220807 /nfs/dbraw/zinc/22/08/07/343220807.db2.gz GHCDPMYOWMSRHS-SECBINFHSA-N -1 3 244.258 0.025 20 0 BCADHM O=C(Nc1nn[n-]n1)[C@@H]1NCCc2ccccc21 ZINC000237948338 343220808 /nfs/dbraw/zinc/22/08/08/343220808.db2.gz GHCDPMYOWMSRHS-SECBINFHSA-N -1 3 244.258 0.025 20 0 BCADHM COCCS(=O)(=O)[N-]Cc1ccns1 ZINC000625332233 343236048 /nfs/dbraw/zinc/23/60/48/343236048.db2.gz GFKVTEXNSALTEY-UHFFFAOYSA-N -1 3 236.318 0.209 20 0 BCADHM CN(C(=O)c1cc(=O)[n-]cn1)[C@@H]1CCOC1 ZINC000625338121 343240285 /nfs/dbraw/zinc/24/02/85/343240285.db2.gz BHTJROZGHIHOQX-SSDOTTSWSA-N -1 3 223.232 0.043 20 0 BCADHM O=S(=O)(CC1CCC1)c1nnc[n-]1 ZINC000146218502 343284144 /nfs/dbraw/zinc/28/41/44/343284144.db2.gz BZIIUGHJVXBWNF-UHFFFAOYSA-N -1 3 201.251 0.379 20 0 BCADHM O=S(=O)(CC1CCC1)c1ncn[n-]1 ZINC000146218502 343284145 /nfs/dbraw/zinc/28/41/45/343284145.db2.gz BZIIUGHJVXBWNF-UHFFFAOYSA-N -1 3 201.251 0.379 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](O)C1 ZINC000035187038 343288513 /nfs/dbraw/zinc/28/85/13/343288513.db2.gz CMTSUQPEMYVFCS-VIFPVBQESA-N -1 3 237.255 0.695 20 0 BCADHM C[C@H](O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000034198697 343266442 /nfs/dbraw/zinc/26/64/42/343266442.db2.gz FGEPTXLQIYNVTM-LURJTMIESA-N -1 3 220.232 0.069 20 0 BCADHM O=S(=O)([N-]Cc1ccsc1)c1c[nH]cn1 ZINC000069949013 343294869 /nfs/dbraw/zinc/29/48/69/343294869.db2.gz ZMDOOAUOONYUSU-UHFFFAOYSA-N -1 3 243.313 0.950 20 0 BCADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)CO)c1 ZINC000035611068 343300547 /nfs/dbraw/zinc/30/05/47/343300547.db2.gz VMXGTMQBMIEBLR-MRVPVSSYSA-N -1 3 247.291 0.793 20 0 BCADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)OC ZINC000070224063 343314794 /nfs/dbraw/zinc/31/47/94/343314794.db2.gz XYNIFMQTZUKDPD-NKWVEPMBSA-N -1 3 223.294 0.123 20 0 BCADHM CC[C@H](NC(=O)c1csc(=O)[n-]1)C(=O)OC ZINC000348837528 136302096 /nfs/dbraw/zinc/30/20/96/136302096.db2.gz BHAKVPKUPNPQEP-YFKPBYRVSA-N -1 3 244.272 0.530 20 0 BCADHM Cc1ccc([O-])c(C(=O)N(C)CC(N)=O)c1 ZINC000037269261 343342339 /nfs/dbraw/zinc/34/23/39/343342339.db2.gz FWLCMDNXTHCVLS-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C2CCC2)cn1C ZINC000335638886 136303130 /nfs/dbraw/zinc/30/31/30/136303130.db2.gz KHLVTZMOVNQKCR-UHFFFAOYSA-N -1 3 229.305 0.559 20 0 BCADHM COCCNC(=O)NCc1ncccc1[O-] ZINC000349102110 136323492 /nfs/dbraw/zinc/32/34/92/136323492.db2.gz IBBWYTMPNCWKLE-UHFFFAOYSA-N -1 3 225.248 0.233 20 0 BCADHM CC(C)CN(C)S(=O)(=O)[N-]CC(F)F ZINC000349129259 136328785 /nfs/dbraw/zinc/32/87/85/136328785.db2.gz VIVUFMZGDSVBEA-UHFFFAOYSA-N -1 3 230.280 0.674 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000042272740 343432635 /nfs/dbraw/zinc/43/26/35/343432635.db2.gz VCCWJFUQMDVIMF-ZETCQYMHSA-N -1 3 223.228 0.684 20 0 BCADHM O=C(NCCc1cscn1)c1c[n-]nn1 ZINC000082687021 343460150 /nfs/dbraw/zinc/46/01/50/343460150.db2.gz VMINDNYKYSUZAP-UHFFFAOYSA-N -1 3 223.261 0.234 20 0 BCADHM O=C(NCCc1cscn1)c1cnn[n-]1 ZINC000082687021 343460153 /nfs/dbraw/zinc/46/01/53/343460153.db2.gz VMINDNYKYSUZAP-UHFFFAOYSA-N -1 3 223.261 0.234 20 0 BCADHM O=C(NCCc1cscn1)c1cn[n-]n1 ZINC000082687021 343460155 /nfs/dbraw/zinc/46/01/55/343460155.db2.gz VMINDNYKYSUZAP-UHFFFAOYSA-N -1 3 223.261 0.234 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCCn1cccn1 ZINC000577004021 365752882 /nfs/dbraw/zinc/75/28/82/365752882.db2.gz FBOJCKLLSODYMM-UHFFFAOYSA-N -1 3 246.270 0.343 20 0 BCADHM C[C@H](CCCCO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000398673339 488222213 /nfs/dbraw/zinc/22/22/13/488222213.db2.gz KKVGVRKYILFSSL-MRVPVSSYSA-N -1 3 247.320 0.239 20 0 BCADHM Cc1nc(CCNC(=O)c2c[n-]nn2)cs1 ZINC000048890309 343589498 /nfs/dbraw/zinc/58/94/98/343589498.db2.gz ZBLFLQXCGRMKEM-UHFFFAOYSA-N -1 3 237.288 0.542 20 0 BCADHM Cc1nc(CCNC(=O)c2cnn[n-]2)cs1 ZINC000048890309 343589500 /nfs/dbraw/zinc/58/95/00/343589500.db2.gz ZBLFLQXCGRMKEM-UHFFFAOYSA-N -1 3 237.288 0.542 20 0 BCADHM Cc1nc(CCNC(=O)c2cn[n-]n2)cs1 ZINC000048890309 343589502 /nfs/dbraw/zinc/58/95/02/343589502.db2.gz ZBLFLQXCGRMKEM-UHFFFAOYSA-N -1 3 237.288 0.542 20 0 BCADHM O=C([O-])[C@H]1CN(CCC2CCC2)CCO1 ZINC000398789947 488224707 /nfs/dbraw/zinc/22/47/07/488224707.db2.gz PFUUSRHHFMSVDD-SNVBAGLBSA-N -1 3 213.277 0.962 20 0 BCADHM COc1ncccc1CN(C)[C@@H](C)C(=O)[O-] ZINC000087415198 343648906 /nfs/dbraw/zinc/64/89/06/343648906.db2.gz QJISKVZYABPVOH-QMMMGPOBSA-N -1 3 224.260 0.995 20 0 BCADHM O=C(Nc1ccc(F)cn1)c1nc[n-]n1 ZINC000087444971 343650051 /nfs/dbraw/zinc/65/00/51/343650051.db2.gz QWOQMWCBFYEBNM-UHFFFAOYSA-N -1 3 207.168 0.591 20 0 BCADHM COCC1([N-]S(=O)(=O)c2cscn2)CC1 ZINC000584110475 343655321 /nfs/dbraw/zinc/65/53/21/343655321.db2.gz DXIOHAUCFVBBCY-UHFFFAOYSA-N -1 3 248.329 0.600 20 0 BCADHM CCONC(=O)/C=C/c1cncc([O-])c1 ZINC000181860628 259368283 /nfs/dbraw/zinc/36/82/83/259368283.db2.gz CDWBXZMDJYDLRW-ONEGZZNKSA-N -1 3 208.217 0.868 20 0 BCADHM O=C([N-]c1nncs1)c1cn(C2CC2)nn1 ZINC000624366287 343739252 /nfs/dbraw/zinc/73/92/52/343739252.db2.gz VDKZYWBKZDVNFR-UHFFFAOYSA-N -1 3 236.260 0.717 20 0 BCADHM CN1C(=O)CC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000336455475 537810304 /nfs/dbraw/zinc/81/03/04/537810304.db2.gz SNAATDLYYOFZNI-SECBINFHSA-N -1 3 234.255 0.952 20 0 BCADHM CNC(=O)[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000624476853 343900417 /nfs/dbraw/zinc/90/04/17/343900417.db2.gz MQTQQOURPMFDIR-MRVPVSSYSA-N -1 3 236.271 0.565 20 0 BCADHM C[C@@H](O)[C@H]1CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000628104435 343943506 /nfs/dbraw/zinc/94/35/06/343943506.db2.gz RWDDQJAXZCDRKT-VXNVDRBHSA-N -1 3 237.259 0.168 20 0 BCADHM CC1(C)C[C@H]1CNC(=O)c1cc(=O)[n-]cn1 ZINC000625524440 343918091 /nfs/dbraw/zinc/91/80/91/343918091.db2.gz NKNZORCPJTXDIY-ZETCQYMHSA-N -1 3 221.260 0.958 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC(C)(O)C1 ZINC000626212447 347016317 /nfs/dbraw/zinc/01/63/17/347016317.db2.gz DJCIMEGFRZHBHW-UHFFFAOYSA-N -1 3 221.256 0.907 20 0 BCADHM CNC(=O)CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000048384688 343926294 /nfs/dbraw/zinc/92/62/94/343926294.db2.gz QZYPPVUNMAWEKU-UHFFFAOYSA-N -1 3 236.271 0.485 20 0 BCADHM Cc1cccc(N2CCN(C)C[C@H](C(=O)[O-])C2)n1 ZINC000521050206 343950516 /nfs/dbraw/zinc/95/05/16/343950516.db2.gz DSBNPKNIEZZYHE-NSHDSACASA-N -1 3 249.314 0.843 20 0 BCADHM C[C@H](O)C[C@H](C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000625762766 344064326 /nfs/dbraw/zinc/06/43/26/344064326.db2.gz FRZSJOZWMQOTEY-YUMQZZPRSA-N -1 3 239.275 0.319 20 0 BCADHM O=C(NC[C@H]1CCCCO1)c1cc(=O)[n-]cn1 ZINC000624623848 344110054 /nfs/dbraw/zinc/11/00/54/344110054.db2.gz ZOZJDQNZXXFWNH-MRVPVSSYSA-N -1 3 237.259 0.481 20 0 BCADHM COc1ccc(C(=O)Nc2ncccc2[O-])nn1 ZINC000130198343 344120926 /nfs/dbraw/zinc/12/09/26/344120926.db2.gz IYAIOERXFNBTPE-UHFFFAOYSA-N -1 3 246.226 0.838 20 0 BCADHM CC(C)C[C@@H](NC(=O)[C@@H]1CCCCN1)C(=O)[O-] ZINC000040471144 192069204 /nfs/dbraw/zinc/06/92/04/192069204.db2.gz OUXMHEQRQFTCER-VHSXEESVSA-N -1 3 242.319 0.744 20 0 BCADHM COc1nc(NC(=O)CC2CSC2)n[n-]1 ZINC000632257781 344210742 /nfs/dbraw/zinc/21/07/42/344210742.db2.gz PDTONTQNEKLWJT-UHFFFAOYSA-N -1 3 228.277 0.505 20 0 BCADHM COc1nnc(NC(=O)CC2CSC2)[n-]1 ZINC000632257781 344210743 /nfs/dbraw/zinc/21/07/43/344210743.db2.gz PDTONTQNEKLWJT-UHFFFAOYSA-N -1 3 228.277 0.505 20 0 BCADHM COc1n[n-]c(NC(=O)CC2CSC2)n1 ZINC000632257781 344210745 /nfs/dbraw/zinc/21/07/45/344210745.db2.gz PDTONTQNEKLWJT-UHFFFAOYSA-N -1 3 228.277 0.505 20 0 BCADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000131998720 344244316 /nfs/dbraw/zinc/24/43/16/344244316.db2.gz YQJKLDRMZYPYDV-BDAKNGLRSA-N -1 3 243.332 0.887 20 0 BCADHM CC(=O)N[C@H]1CCN(Cc2ncccc2[O-])C1 ZINC000569376379 344248166 /nfs/dbraw/zinc/24/81/66/344248166.db2.gz WXDKIQSQVPHKIC-JTQLQIEISA-N -1 3 235.287 0.498 20 0 BCADHM CN(C(=O)c1ccc2n[n-]nc2c1)C1CC(O)C1 ZINC000408220318 344254896 /nfs/dbraw/zinc/25/48/96/344254896.db2.gz VHZBHAWNSDJTFR-UHFFFAOYSA-N -1 3 246.270 0.553 20 0 BCADHM C[C@@H](O)C[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000228170476 259374559 /nfs/dbraw/zinc/37/45/59/259374559.db2.gz WKQYFKVJQPZKND-JGVFFNPUSA-N -1 3 239.271 0.987 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000385112386 344330887 /nfs/dbraw/zinc/33/08/87/344330887.db2.gz WACXUNRDJZCEEY-VXNVDRBHSA-N -1 3 246.270 0.553 20 0 BCADHM CC[C@@H]1C(=O)NCCN1Cc1nc(C)ccc1[O-] ZINC000093049798 344307988 /nfs/dbraw/zinc/30/79/88/344307988.db2.gz QOEUTNVHPQYOJT-LLVKDONJSA-N -1 3 249.314 0.806 20 0 BCADHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccccn1 ZINC000132339563 344420243 /nfs/dbraw/zinc/42/02/43/344420243.db2.gz DQPORBOZLLPQPQ-VIFPVBQESA-N -1 3 244.316 0.785 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C1CC2(CC2)C1 ZINC000622883319 344445292 /nfs/dbraw/zinc/44/52/92/344445292.db2.gz TVFGYBCSIBAXCD-UHFFFAOYSA-N -1 3 249.274 0.293 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C1CC2(CC2)C1 ZINC000622883319 344445294 /nfs/dbraw/zinc/44/52/94/344445294.db2.gz TVFGYBCSIBAXCD-UHFFFAOYSA-N -1 3 249.274 0.293 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C1CC2(CC2)C1 ZINC000622883319 344445297 /nfs/dbraw/zinc/44/52/97/344445297.db2.gz TVFGYBCSIBAXCD-UHFFFAOYSA-N -1 3 249.274 0.293 20 0 BCADHM COc1cc(C(=O)N[C@@H]2CC[C@H]2O)ccc1[O-] ZINC000425045943 192071659 /nfs/dbraw/zinc/07/16/59/192071659.db2.gz LEOKVIRMOAZSQO-RKDXNWHRSA-N -1 3 237.255 0.654 20 0 BCADHM CC[C@H](NC(=O)c1c[n-]nn1)[C@@H]1CCCO1 ZINC000151951231 344470599 /nfs/dbraw/zinc/47/05/99/344470599.db2.gz DUAYZWXDWUYJAM-CBAPKCEASA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@H](NC(=O)c1cnn[n-]1)[C@@H]1CCCO1 ZINC000151951231 344470600 /nfs/dbraw/zinc/47/06/00/344470600.db2.gz DUAYZWXDWUYJAM-CBAPKCEASA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CCCO1 ZINC000151951231 344470603 /nfs/dbraw/zinc/47/06/03/344470603.db2.gz DUAYZWXDWUYJAM-CBAPKCEASA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@@H]1C(=O)NCCN1C(=O)c1ccccc1[O-] ZINC000106362147 344474571 /nfs/dbraw/zinc/47/45/71/344474571.db2.gz PNVUSUVILSNCGQ-SNVBAGLBSA-N -1 3 248.282 0.743 20 0 BCADHM COc1ccc(C(=O)N[C@@H]2CC[C@H]2O)c([O-])c1 ZINC000425060333 192072662 /nfs/dbraw/zinc/07/26/62/192072662.db2.gz NLBITZWCLDEIHF-NXEZZACHSA-N -1 3 237.255 0.654 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2 ZINC000641427096 362411863 /nfs/dbraw/zinc/41/18/63/362411863.db2.gz XGDRPCRPUCAEGQ-AEJSXWLSSA-N -1 3 247.316 0.205 20 0 BCADHM Cc1cncnc1N(C)C[C@@H](C)c1nnn[n-]1 ZINC000641489958 362457501 /nfs/dbraw/zinc/45/75/01/362457501.db2.gz WQXHOIKDVBTODC-MRVPVSSYSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1cncnc1N(C)C[C@@H](C)c1nn[n-]n1 ZINC000641489958 362457505 /nfs/dbraw/zinc/45/75/05/362457505.db2.gz WQXHOIKDVBTODC-MRVPVSSYSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1cncnc1N(C)C[C@H](C)c1nnn[n-]1 ZINC000641489961 362457879 /nfs/dbraw/zinc/45/78/79/362457879.db2.gz WQXHOIKDVBTODC-QMMMGPOBSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1cncnc1N(C)C[C@H](C)c1nn[n-]n1 ZINC000641489961 362457883 /nfs/dbraw/zinc/45/78/83/362457883.db2.gz WQXHOIKDVBTODC-QMMMGPOBSA-N -1 3 233.279 0.538 20 0 BCADHM COCCC(C)(C)NC(=O)c1cc(=O)[n-]cn1 ZINC000625969000 344623068 /nfs/dbraw/zinc/62/30/68/344623068.db2.gz LQTHNFNGUPGUFU-UHFFFAOYSA-N -1 3 239.275 0.727 20 0 BCADHM C[C@@H]1C[C@H]1CN1CCO[C@H](CC(=O)[O-])C1 ZINC000625969580 344628896 /nfs/dbraw/zinc/62/88/96/344628896.db2.gz KRUFDMASMDDEEP-KXUCPTDWSA-N -1 3 213.277 0.818 20 0 BCADHM C[C@@H]1C[C@H]1CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000625969582 344629457 /nfs/dbraw/zinc/62/94/57/344629457.db2.gz KRUFDMASMDDEEP-UTLUCORTSA-N -1 3 213.277 0.818 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)C1CCCCC1 ZINC000049498866 344642619 /nfs/dbraw/zinc/64/26/19/344642619.db2.gz IPTGTPWLNGSZBL-QMMMGPOBSA-N -1 3 249.332 0.800 20 0 BCADHM COCC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000050166175 344729206 /nfs/dbraw/zinc/72/92/06/344729206.db2.gz DVEXMDYXHKMGFX-UHFFFAOYSA-N -1 3 234.252 0.145 20 0 BCADHM Cc1cnc(CSCCc2nnn[n-]2)nc1 ZINC000603339818 349916120 /nfs/dbraw/zinc/91/61/20/349916120.db2.gz GIMZPDBYNKRXGO-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM Cc1cnc(CSCCc2nn[n-]n2)nc1 ZINC000603339818 349916123 /nfs/dbraw/zinc/91/61/23/349916123.db2.gz GIMZPDBYNKRXGO-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM CC[C@@H](O)CSCCc1nnn[n-]1 ZINC000603339817 349916520 /nfs/dbraw/zinc/91/65/20/349916520.db2.gz GGSBONKZSGOVGJ-ZCFIWIBFSA-N -1 3 202.283 0.246 20 0 BCADHM CC[C@@H](O)CSCCc1nn[n-]n1 ZINC000603339817 349916524 /nfs/dbraw/zinc/91/65/24/349916524.db2.gz GGSBONKZSGOVGJ-ZCFIWIBFSA-N -1 3 202.283 0.246 20 0 BCADHM COCC[C@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000075941106 344788716 /nfs/dbraw/zinc/78/87/16/344788716.db2.gz AEQYKFJMRQDGTF-QMMMGPOBSA-N -1 3 247.320 0.123 20 0 BCADHM Cc1nnc([C@H](C)SCCc2nnn[n-]2)o1 ZINC000603339991 349917579 /nfs/dbraw/zinc/91/75/79/349917579.db2.gz QTRHJUSORQMRCQ-YFKPBYRVSA-N -1 3 240.292 0.928 20 0 BCADHM Cc1nnc([C@H](C)SCCc2nn[n-]n2)o1 ZINC000603339991 349917581 /nfs/dbraw/zinc/91/75/81/349917581.db2.gz QTRHJUSORQMRCQ-YFKPBYRVSA-N -1 3 240.292 0.928 20 0 BCADHM Cc1nccnc1CSCCc1nnn[n-]1 ZINC000603341469 349919423 /nfs/dbraw/zinc/91/94/23/349919423.db2.gz DDJPCAMUQPQNPK-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM Cc1nccnc1CSCCc1nn[n-]n1 ZINC000603341469 349919424 /nfs/dbraw/zinc/91/94/24/349919424.db2.gz DDJPCAMUQPQNPK-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM CCCOCC(=O)NN=c1cccn[n-]1 ZINC000077029645 344813130 /nfs/dbraw/zinc/81/31/30/344813130.db2.gz WJXRKYSYRUHADT-UHFFFAOYSA-N -1 3 210.237 0.346 20 0 BCADHM COC(=O)C1(CSCCc2nnn[n-]2)CC1 ZINC000603341292 349918573 /nfs/dbraw/zinc/91/85/73/349918573.db2.gz NTEOYZMAGQWFIZ-UHFFFAOYSA-N -1 3 242.304 0.429 20 0 BCADHM COC(=O)C1(CSCCc2nn[n-]n2)CC1 ZINC000603341292 349918577 /nfs/dbraw/zinc/91/85/77/349918577.db2.gz NTEOYZMAGQWFIZ-UHFFFAOYSA-N -1 3 242.304 0.429 20 0 BCADHM NC(=O)c1csc([N-]C(=O)c2ccon2)n1 ZINC000135751815 344880014 /nfs/dbraw/zinc/88/00/14/344880014.db2.gz ZVVHRLHPPYANOW-UHFFFAOYSA-N -1 3 238.228 0.482 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)CCOCC1CC1 ZINC000425173463 192082079 /nfs/dbraw/zinc/08/20/79/192082079.db2.gz BVSLWJBNYXSVNK-UHFFFAOYSA-N -1 3 249.332 0.312 20 0 BCADHM COc1cccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1[O-] ZINC000641566147 362505442 /nfs/dbraw/zinc/50/54/42/362505442.db2.gz AKDOHMCBOZQSQM-AMIZOPFISA-N -1 3 249.266 0.608 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1 ZINC000641567192 362506130 /nfs/dbraw/zinc/50/61/30/362506130.db2.gz JFHGGUQNPFMQFZ-NOZJJQNGSA-N -1 3 233.267 0.907 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1C[C@H]2C[C@@]2(O)C1 ZINC000641568777 362507234 /nfs/dbraw/zinc/50/72/34/362507234.db2.gz JESQEWQAEBCWCD-PRHODGIISA-N -1 3 244.254 0.165 20 0 BCADHM CCCCC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000069091192 362507834 /nfs/dbraw/zinc/50/78/34/362507834.db2.gz PSDDWCRIXPKYPW-UHFFFAOYSA-N -1 3 231.321 0.889 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1C[C@@H]2C[C@]2(O)C1 ZINC000641591147 362533764 /nfs/dbraw/zinc/53/37/64/362533764.db2.gz YRLVQXGLRQSZIG-KGFZYKRKSA-N -1 3 238.218 0.133 20 0 BCADHM Cc1ccn(CC(=O)NCc2ncccc2[O-])n1 ZINC000622570623 345250965 /nfs/dbraw/zinc/25/09/65/345250965.db2.gz KKAOTMBUBODHEY-UHFFFAOYSA-N -1 3 246.270 0.609 20 0 BCADHM O=C([O-])[C@H](C1CC1)N1CCO[C@@H](CCF)C1 ZINC000635018831 345221963 /nfs/dbraw/zinc/22/19/63/345221963.db2.gz QSLGNVDUPIOHIO-UWVGGRQHSA-N -1 3 231.267 0.910 20 0 BCADHM c1cc(-c2nnn[n-]2)c(N2CCOCC2)cn1 ZINC000408494394 345377122 /nfs/dbraw/zinc/37/71/22/345377122.db2.gz LFAFKSURXKUOSC-UHFFFAOYSA-N -1 3 232.247 0.098 20 0 BCADHM c1cc(-c2nn[n-]n2)c(N2CCOCC2)cn1 ZINC000408494394 345377125 /nfs/dbraw/zinc/37/71/25/345377125.db2.gz LFAFKSURXKUOSC-UHFFFAOYSA-N -1 3 232.247 0.098 20 0 BCADHM O=C(CSCCc1nnn[n-]1)[C@H]1CCOC1 ZINC000603337948 349927883 /nfs/dbraw/zinc/92/78/83/349927883.db2.gz HRPOUFVKFKMFKA-ZETCQYMHSA-N -1 3 242.304 0.081 20 0 BCADHM O=C(CSCCc1nn[n-]n1)[C@H]1CCOC1 ZINC000603337948 349927887 /nfs/dbraw/zinc/92/78/87/349927887.db2.gz HRPOUFVKFKMFKA-ZETCQYMHSA-N -1 3 242.304 0.081 20 0 BCADHM CCOC(=O)[C@@H](C)SCCc1nnn[n-]1 ZINC000603338260 349927922 /nfs/dbraw/zinc/92/79/22/349927922.db2.gz HPNOPRASBPYIGK-ZCFIWIBFSA-N -1 3 230.293 0.427 20 0 BCADHM CCOC(=O)[C@@H](C)SCCc1nn[n-]n1 ZINC000603338260 349927926 /nfs/dbraw/zinc/92/79/26/349927926.db2.gz HPNOPRASBPYIGK-ZCFIWIBFSA-N -1 3 230.293 0.427 20 0 BCADHM C[C@H](SCCc1nnn[n-]1)C(=O)NC1CC1 ZINC000603338655 349929499 /nfs/dbraw/zinc/92/94/99/349929499.db2.gz TZZXLLVWOYMOFP-LURJTMIESA-N -1 3 241.320 0.143 20 0 BCADHM C[C@H](SCCc1nn[n-]n1)C(=O)NC1CC1 ZINC000603338655 349929501 /nfs/dbraw/zinc/92/95/01/349929501.db2.gz TZZXLLVWOYMOFP-LURJTMIESA-N -1 3 241.320 0.143 20 0 BCADHM O=C(CSCCc1nnn[n-]1)C1CCC1 ZINC000603339766 349929906 /nfs/dbraw/zinc/92/99/06/349929906.db2.gz DYOMZGUVGHHYNX-UHFFFAOYSA-N -1 3 226.305 0.845 20 0 BCADHM O=C(CSCCc1nn[n-]n1)C1CCC1 ZINC000603339766 349929911 /nfs/dbraw/zinc/92/99/11/349929911.db2.gz DYOMZGUVGHHYNX-UHFFFAOYSA-N -1 3 226.305 0.845 20 0 BCADHM CC(C)OCCSCCc1nnn[n-]1 ZINC000603338192 349928596 /nfs/dbraw/zinc/92/85/96/349928596.db2.gz SDPFKINIRWFSDZ-UHFFFAOYSA-N -1 3 216.310 0.900 20 0 BCADHM CC(C)OCCSCCc1nn[n-]n1 ZINC000603338192 349928597 /nfs/dbraw/zinc/92/85/97/349928597.db2.gz SDPFKINIRWFSDZ-UHFFFAOYSA-N -1 3 216.310 0.900 20 0 BCADHM O=S(=O)([N-]CCCF)c1ccccn1 ZINC000133944494 345464763 /nfs/dbraw/zinc/46/47/63/345464763.db2.gz FKNSNEPOKKAJIO-UHFFFAOYSA-N -1 3 218.253 0.720 20 0 BCADHM CC[C@H](C)[C@H](O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000626120350 345508913 /nfs/dbraw/zinc/50/89/13/345508913.db2.gz AEERYOBVIDDJFK-IONNQARKSA-N -1 3 239.275 0.319 20 0 BCADHM CCOCC(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000617871461 345544263 /nfs/dbraw/zinc/54/42/63/345544263.db2.gz BKBWIHIXKHTHPU-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM CCOCC(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000617871461 345544265 /nfs/dbraw/zinc/54/42/65/345544265.db2.gz BKBWIHIXKHTHPU-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM O=c1[n-]c(CN2CCC[C@@H]2C2CCC2)n[nH]1 ZINC000091555248 345598710 /nfs/dbraw/zinc/59/87/10/345598710.db2.gz IEMXERINIAJILT-SECBINFHSA-N -1 3 222.292 0.863 20 0 BCADHM O=[N+]([O-])c1ccc(Cc2nnn[n-]2)nc1 ZINC000095235410 345683857 /nfs/dbraw/zinc/68/38/57/345683857.db2.gz WNKVFGNDMLSKGF-UHFFFAOYSA-N -1 3 206.165 0.094 20 0 BCADHM O=[N+]([O-])c1ccc(Cc2nn[n-]n2)nc1 ZINC000095235410 345683862 /nfs/dbraw/zinc/68/38/62/345683862.db2.gz WNKVFGNDMLSKGF-UHFFFAOYSA-N -1 3 206.165 0.094 20 0 BCADHM CC[C@@H](CCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626148503 345766052 /nfs/dbraw/zinc/76/60/52/345766052.db2.gz QOEQPAQYFXZOHB-ZETCQYMHSA-N -1 3 225.248 0.073 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCC(=O)C2)n[n-]1 ZINC000564571920 323101848 /nfs/dbraw/zinc/10/18/48/323101848.db2.gz JJFJBPBZVHAOON-RXMQYKEDSA-N -1 3 224.220 0.121 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCC(=O)C2)[n-]1 ZINC000564571920 323101849 /nfs/dbraw/zinc/10/18/49/323101849.db2.gz JJFJBPBZVHAOON-RXMQYKEDSA-N -1 3 224.220 0.121 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCC(=O)C2)n1 ZINC000564571920 323101850 /nfs/dbraw/zinc/10/18/50/323101850.db2.gz JJFJBPBZVHAOON-RXMQYKEDSA-N -1 3 224.220 0.121 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCCCN2C)[n-]1 ZINC000635758463 346051718 /nfs/dbraw/zinc/05/17/18/346051718.db2.gz QZVVQEPHNAFHFN-ZETCQYMHSA-N -1 3 239.279 0.236 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCCCN2C)n[n-]1 ZINC000635758463 346051720 /nfs/dbraw/zinc/05/17/20/346051720.db2.gz QZVVQEPHNAFHFN-ZETCQYMHSA-N -1 3 239.279 0.236 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCCCN2C)n1 ZINC000635758463 346051723 /nfs/dbraw/zinc/05/17/23/346051723.db2.gz QZVVQEPHNAFHFN-ZETCQYMHSA-N -1 3 239.279 0.236 20 0 BCADHM C[C@H](N)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000095203026 346030287 /nfs/dbraw/zinc/03/02/87/346030287.db2.gz QIOMHEAAJJHNBP-ZETCQYMHSA-N -1 3 246.274 0.076 20 0 BCADHM NC(=O)C(=O)N1CCCc2cccc([O-])c21 ZINC000635752608 346049746 /nfs/dbraw/zinc/04/97/46/346049746.db2.gz GYDNLVGMBSHPIA-UHFFFAOYSA-N -1 3 220.228 0.157 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCCCN1 ZINC000635922996 346115668 /nfs/dbraw/zinc/11/56/68/346115668.db2.gz ZCFYLHGKDCYPCO-UHFFFAOYSA-N -1 3 225.223 0.667 20 0 BCADHM C[C@H]1C(=O)NCCCN1Cc1ncccc1[O-] ZINC000584318756 346175574 /nfs/dbraw/zinc/17/55/74/346175574.db2.gz YZWNMMCBXMSHHC-VIFPVBQESA-N -1 3 235.287 0.498 20 0 BCADHM Cc1cccc(C(=O)N(C)[C@@H]2CCNC2=O)c1[O-] ZINC000336316940 179005532 /nfs/dbraw/zinc/00/55/32/179005532.db2.gz MTGAGEZOBIKRQW-SNVBAGLBSA-N -1 3 248.282 0.661 20 0 BCADHM Cc1cccc(C(=O)N2CC(=O)N[C@H](C)C2)c1[O-] ZINC000296314456 179006936 /nfs/dbraw/zinc/00/69/36/179006936.db2.gz SOJVTHPJNXWKIQ-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM Cc1cccc(C(=O)N2CC(C)(O)C2)c1[O-] ZINC000084351941 179007631 /nfs/dbraw/zinc/00/76/31/179007631.db2.gz DBESZRZXXQXIHW-UHFFFAOYSA-N -1 3 221.256 0.907 20 0 BCADHM Cc1cccc(C(=O)N2CC[C@@H](O)C2)c1[O-] ZINC000061704625 179011408 /nfs/dbraw/zinc/01/14/08/179011408.db2.gz ZIBWOPPOAXLRAN-SECBINFHSA-N -1 3 221.256 0.907 20 0 BCADHM Cc1cccc(C(=O)NCCn2cncn2)c1[O-] ZINC000263802352 179016533 /nfs/dbraw/zinc/01/65/33/179016533.db2.gz OJXDPDRHUSWDBY-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM Cc1cccc(C(=O)NC[C@@H](C)O)c1[O-] ZINC000035107719 179016539 /nfs/dbraw/zinc/01/65/39/179016539.db2.gz PUVUQCZUBNFSGT-MRVPVSSYSA-N -1 3 209.245 0.811 20 0 BCADHM Cc1[nH]ncc1CN(C)C(=O)c1cc(=O)n(C)[n-]1 ZINC000636070033 346310688 /nfs/dbraw/zinc/31/06/88/346310688.db2.gz FEDFCEUQKXUWOL-UHFFFAOYSA-N -1 3 249.274 0.429 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1CCOC1)C2 ZINC000636285392 346379046 /nfs/dbraw/zinc/37/90/46/346379046.db2.gz SVCXAXSIRXCFRV-MRVPVSSYSA-N -1 3 249.270 0.369 20 0 BCADHM CN(CC1CC1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000381585826 346388725 /nfs/dbraw/zinc/38/87/25/346388725.db2.gz BSCXRDWRLPZDAB-UHFFFAOYSA-N -1 3 218.264 0.563 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1O)c1cc(F)c[n-]c1=O ZINC000636328058 346397700 /nfs/dbraw/zinc/39/77/00/346397700.db2.gz BOYRQNFUTZJBCH-IUCAKERBSA-N -1 3 240.234 0.570 20 0 BCADHM O=C(Nc1cc(CC2CC2)[nH]n1)c1nnc[n-]1 ZINC000636361564 346408191 /nfs/dbraw/zinc/40/81/91/346408191.db2.gz DBOZJMYDFSKPEN-UHFFFAOYSA-N -1 3 232.247 0.733 20 0 BCADHM O=C(Nc1cc(CC2CC2)[nH]n1)c1nc[n-]n1 ZINC000636361564 346408195 /nfs/dbraw/zinc/40/81/95/346408195.db2.gz DBOZJMYDFSKPEN-UHFFFAOYSA-N -1 3 232.247 0.733 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1OC2CCC1CC2 ZINC000636403934 346474232 /nfs/dbraw/zinc/47/42/32/346474232.db2.gz QRZVWBZGVWUJLY-UHFFFAOYSA-N -1 3 235.243 0.881 20 0 BCADHM CCC[C@@H](C)S(=O)(=O)[N-]Cc1noc(C)n1 ZINC000580146763 346556732 /nfs/dbraw/zinc/55/67/32/346556732.db2.gz CLWMJOBZDBJFEO-SSDOTTSWSA-N -1 3 247.320 0.986 20 0 BCADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)CO ZINC000184848265 179111382 /nfs/dbraw/zinc/11/13/82/179111382.db2.gz BTUKVEOHXCFUQJ-MRVPVSSYSA-N -1 3 247.291 0.793 20 0 BCADHM O=S(=O)([N-][C@@H]1CCSC1)c1c[nH]cn1 ZINC000230627581 346549126 /nfs/dbraw/zinc/54/91/26/346549126.db2.gz BCWHNQWKXXUKSM-ZCFIWIBFSA-N -1 3 233.318 0.194 20 0 BCADHM c1cc(-c2nnn[n-]2)cc(N2CCOCC2)n1 ZINC000103634730 346581022 /nfs/dbraw/zinc/58/10/22/346581022.db2.gz NHUZBDWGOZJZRG-UHFFFAOYSA-N -1 3 232.247 0.098 20 0 BCADHM c1cc(-c2nn[n-]n2)cc(N2CCOCC2)n1 ZINC000103634730 346581023 /nfs/dbraw/zinc/58/10/23/346581023.db2.gz NHUZBDWGOZJZRG-UHFFFAOYSA-N -1 3 232.247 0.098 20 0 BCADHM Cn1nccc1NC(=O)c1cccc2nn[n-]c21 ZINC000187641478 346594282 /nfs/dbraw/zinc/59/42/82/346594282.db2.gz UFYISIZITCYWDD-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM Cn1nccc1NC(=O)c1cccc2[n-]nnc21 ZINC000187641478 346594284 /nfs/dbraw/zinc/59/42/84/346594284.db2.gz UFYISIZITCYWDD-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM Cn1nccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187641478 346594287 /nfs/dbraw/zinc/59/42/87/346594287.db2.gz UFYISIZITCYWDD-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)CC1(C)CCC1 ZINC000589125737 346666338 /nfs/dbraw/zinc/66/63/38/346666338.db2.gz HNKINDLAVRAYQF-UHFFFAOYSA-N -1 3 235.305 0.269 20 0 BCADHM CN(C(=O)CNC(=O)c1ccc([O-])cc1)C1CC1 ZINC000589687617 346729766 /nfs/dbraw/zinc/72/97/66/346729766.db2.gz SHBDIPDFWRTXOH-UHFFFAOYSA-N -1 3 248.282 0.743 20 0 BCADHM Cc1cccc([O-])c1NC(=O)Cn1cnnn1 ZINC000357086148 179160778 /nfs/dbraw/zinc/16/07/78/179160778.db2.gz CYSZZFMCOQWZQE-UHFFFAOYSA-N -1 3 233.231 0.326 20 0 BCADHM C(Cc1nnn[n-]1)SC[C@@H]1CCCO1 ZINC000095120324 347197905 /nfs/dbraw/zinc/19/79/05/347197905.db2.gz KTLBQYANPHRATC-ZETCQYMHSA-N -1 3 214.294 0.654 20 0 BCADHM C(Cc1nn[n-]n1)SC[C@@H]1CCCO1 ZINC000095120324 347197908 /nfs/dbraw/zinc/19/79/08/347197908.db2.gz KTLBQYANPHRATC-ZETCQYMHSA-N -1 3 214.294 0.654 20 0 BCADHM CC1(C)[C@H](O)C[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000188864045 347291531 /nfs/dbraw/zinc/29/15/31/347291531.db2.gz HDZVPDVVVNFOKH-JGVFFNPUSA-N -1 3 245.300 0.717 20 0 BCADHM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000188864006 347291621 /nfs/dbraw/zinc/29/16/21/347291621.db2.gz HDZVPDVVVNFOKH-YUMQZZPRSA-N -1 3 245.300 0.717 20 0 BCADHM CS[C@H](C)CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000590553051 347470888 /nfs/dbraw/zinc/47/08/88/347470888.db2.gz SZHGJMSIRMNFKW-RXMQYKEDSA-N -1 3 240.292 0.533 20 0 BCADHM O=C(NCc1ccc(Cl)o1)c1c[n-]nn1 ZINC000616988682 347566752 /nfs/dbraw/zinc/56/67/52/347566752.db2.gz BJUUGVLYKUIRAL-UHFFFAOYSA-N -1 3 226.623 0.981 20 0 BCADHM O=C(NCc1ccc(Cl)o1)c1cnn[n-]1 ZINC000616988682 347566755 /nfs/dbraw/zinc/56/67/55/347566755.db2.gz BJUUGVLYKUIRAL-UHFFFAOYSA-N -1 3 226.623 0.981 20 0 BCADHM O=C(NCc1ccc(Cl)o1)c1cn[n-]n1 ZINC000616988682 347566756 /nfs/dbraw/zinc/56/67/56/347566756.db2.gz BJUUGVLYKUIRAL-UHFFFAOYSA-N -1 3 226.623 0.981 20 0 BCADHM O=C(N[C@H]1CCNC1=O)c1cccc([O-])c1 ZINC000616972900 347552058 /nfs/dbraw/zinc/55/20/58/347552058.db2.gz OJHHPDUQZJEGPL-VIFPVBQESA-N -1 3 220.228 0.011 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000591324260 347638934 /nfs/dbraw/zinc/63/89/34/347638934.db2.gz YJGCUJRAYDDXLB-VGMNWLOBSA-N -1 3 247.316 0.267 20 0 BCADHM CSCC[N-]S(=O)(=O)c1cscn1 ZINC000592012523 347724943 /nfs/dbraw/zinc/72/49/43/347724943.db2.gz GBZSGLYQXIJBCI-UHFFFAOYSA-N -1 3 238.359 0.784 20 0 BCADHM O=c1[n-]nc(CN2CCOC[C@H]2C2CC2)s1 ZINC000375297947 187388312 /nfs/dbraw/zinc/38/83/12/187388312.db2.gz WIMIKAKLEZDQCT-QMMMGPOBSA-N -1 3 241.316 0.855 20 0 BCADHM CC[C@H]1CCCCN1CCN=c1nn[n-]n1C ZINC000603493538 349982868 /nfs/dbraw/zinc/98/28/68/349982868.db2.gz IBCVTZRMNJZBOM-JTQLQIEISA-N -1 3 238.339 0.308 20 0 BCADHM O=C([O-])[C@@H]1CSCCN1C[C@H]1CCCO1 ZINC000251415303 362872669 /nfs/dbraw/zinc/87/26/69/362872669.db2.gz RNYOCLPXDYDDEJ-BDAKNGLRSA-N -1 3 231.317 0.667 20 0 BCADHM COc1ccc([O-])c(C(=O)N2CC(OC)C2)c1 ZINC000332036485 187392604 /nfs/dbraw/zinc/39/26/04/187392604.db2.gz WZURGHQVXOJGIL-UHFFFAOYSA-N -1 3 237.255 0.872 20 0 BCADHM CCOC(=O)c1cc(-c2cn(C)nn2)n[n-]1 ZINC000596646169 348604209 /nfs/dbraw/zinc/60/42/09/348604209.db2.gz OQFQPGLXQGWNGM-UHFFFAOYSA-N -1 3 221.220 0.382 20 0 BCADHM CCOC(=O)c1cc(-c2cn(C)nn2)[n-]n1 ZINC000596646169 348604212 /nfs/dbraw/zinc/60/42/12/348604212.db2.gz OQFQPGLXQGWNGM-UHFFFAOYSA-N -1 3 221.220 0.382 20 0 BCADHM O=C(CSC1CC1)[N-]c1nnc2[nH]cnn12 ZINC000597663777 348782141 /nfs/dbraw/zinc/78/21/41/348782141.db2.gz TXXGQYZDMFNDSP-UHFFFAOYSA-N -1 3 238.276 0.287 20 0 BCADHM CC(C)SCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000597662825 348782152 /nfs/dbraw/zinc/78/21/52/348782152.db2.gz BHXGJCYKICUNNI-UHFFFAOYSA-N -1 3 240.292 0.533 20 0 BCADHM COC(=O)CCNC(=O)c1cc(F)c[n-]c1=O ZINC000598654023 349012915 /nfs/dbraw/zinc/01/29/15/349012915.db2.gz VRBJSMVKMNGDFC-UHFFFAOYSA-N -1 3 242.206 0.219 20 0 BCADHM COC(=O)CCNC(=O)c1c(C)cccc1[O-] ZINC000599007678 349074931 /nfs/dbraw/zinc/07/49/31/349074931.db2.gz SSDHJLNNJOOXSS-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM NC(=O)C1(C(=O)Nc2ccccc2[O-])CC1 ZINC000599296705 349150534 /nfs/dbraw/zinc/15/05/34/349150534.db2.gz IGDCRCOVXAXOPY-UHFFFAOYSA-N -1 3 220.228 0.596 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)CCOC)[n-]1 ZINC000617876673 350026040 /nfs/dbraw/zinc/02/60/40/350026040.db2.gz ZNICADGHGDLGBS-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM CCOC(=O)c1nc(NC(=O)CCOC)c[n-]1 ZINC000617876673 350026044 /nfs/dbraw/zinc/02/60/44/350026044.db2.gz ZNICADGHGDLGBS-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM CCO[C@@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000603809000 350036375 /nfs/dbraw/zinc/03/63/75/350036375.db2.gz MFWWJLPSXWCWDG-DTWKUNHWSA-N -1 3 241.291 0.040 20 0 BCADHM Cc1nc([N-]C(=O)c2cnccn2)nn1C ZINC000355815737 180013722 /nfs/dbraw/zinc/01/37/22/180013722.db2.gz YVPRNEKZKKVTAE-UHFFFAOYSA-N -1 3 218.220 0.166 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)cn1C ZINC000264163866 180029519 /nfs/dbraw/zinc/02/95/19/180029519.db2.gz YLMWHYFOFCOJKM-APPZFPTMSA-N -1 3 243.332 0.663 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C(C)(F)F ZINC000294993119 180026459 /nfs/dbraw/zinc/02/64/59/180026459.db2.gz OKQAVZPAOPKOMF-UHFFFAOYSA-N -1 3 233.174 0.790 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C1CC(=O)C1 ZINC000275146562 180026753 /nfs/dbraw/zinc/02/67/53/180026753.db2.gz MVHUQTVBXSEGBE-UHFFFAOYSA-N -1 3 237.215 0.114 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cncn1C ZINC000362950048 180027660 /nfs/dbraw/zinc/02/76/60/180027660.db2.gz XEKUOGYBFMYZNQ-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM O=S(=O)(CCCO)c1nc2c([n-]1)CCC2 ZINC000427067350 191052341 /nfs/dbraw/zinc/05/23/41/191052341.db2.gz NWJHWIYMPQKHKW-UHFFFAOYSA-N -1 3 230.289 0.055 20 0 BCADHM Cc1ncc(CN[C@@H]2CCOC2)c(=O)[n-]1 ZINC000336730993 180157135 /nfs/dbraw/zinc/15/71/35/180157135.db2.gz KLIZKFNPHPULLG-SECBINFHSA-N -1 3 209.249 0.369 20 0 BCADHM Cc1ncc(CN[C@H]2CCOC2)c(=O)[n-]1 ZINC000336730994 180159020 /nfs/dbraw/zinc/15/90/20/180159020.db2.gz KLIZKFNPHPULLG-VIFPVBQESA-N -1 3 209.249 0.369 20 0 BCADHM CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119688865 191068784 /nfs/dbraw/zinc/06/87/84/191068784.db2.gz IREROBKZVOMFFW-UHFFFAOYSA-N -1 3 205.221 0.769 20 0 BCADHM CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119688865 191068785 /nfs/dbraw/zinc/06/87/85/191068785.db2.gz IREROBKZVOMFFW-UHFFFAOYSA-N -1 3 205.221 0.769 20 0 BCADHM Cc1ncc(CNC(=O)Cc2ccoc2)c(=O)[n-]1 ZINC000358131973 180148171 /nfs/dbraw/zinc/14/81/71/180148171.db2.gz YNMOCUMKDPMXJQ-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM Cc1ncc(CNC(=O)NC(C)C)c(=O)[n-]1 ZINC000342222805 180148618 /nfs/dbraw/zinc/14/86/18/180148618.db2.gz VCAYYBCUJVTHDU-UHFFFAOYSA-N -1 3 224.264 0.698 20 0 BCADHM CCC(O)(CC)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000083466584 350216067 /nfs/dbraw/zinc/21/60/67/350216067.db2.gz LRCDLMVAJHCOIV-UHFFFAOYSA-N -1 3 247.320 0.239 20 0 BCADHM Cc1nn(C)c(Cl)c1CN[C@H](C)C(=O)[O-] ZINC000035387003 180351639 /nfs/dbraw/zinc/35/16/39/180351639.db2.gz SYNOZLSMQGEMQE-ZCFIWIBFSA-N -1 3 231.683 0.945 20 0 BCADHM Cc1nn(C)cc1S(=O)(=O)[N-]CC(F)F ZINC000288158534 180377106 /nfs/dbraw/zinc/37/71/06/180377106.db2.gz OCXRCFGDIIBXCV-UHFFFAOYSA-N -1 3 239.247 0.272 20 0 BCADHM CC[C@@H](NC(=O)Cc1cncc([O-])c1)[C@H](C)O ZINC000577507233 365972977 /nfs/dbraw/zinc/97/29/77/365972977.db2.gz UEZZONUNSQJVAL-GZMMTYOYSA-N -1 3 238.287 0.605 20 0 BCADHM CCO[C@H]1C[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000617959391 350604439 /nfs/dbraw/zinc/60/44/39/350604439.db2.gz MIZQFGZZXNXMPB-LJGSYFOKSA-N -1 3 210.237 0.102 20 0 BCADHM CCO[C@H]1C[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000617959391 350604441 /nfs/dbraw/zinc/60/44/41/350604441.db2.gz MIZQFGZZXNXMPB-LJGSYFOKSA-N -1 3 210.237 0.102 20 0 BCADHM CCO[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000617959391 350604445 /nfs/dbraw/zinc/60/44/45/350604445.db2.gz MIZQFGZZXNXMPB-LJGSYFOKSA-N -1 3 210.237 0.102 20 0 BCADHM CCCCN(CC(N)=O)Cc1ncccc1[O-] ZINC000577542492 365983029 /nfs/dbraw/zinc/98/30/29/365983029.db2.gz XXULQWGZGYDFCE-UHFFFAOYSA-N -1 3 237.303 0.875 20 0 BCADHM COCCOc1ccc(Cc2nnn[n-]2)cc1 ZINC000095316837 350657864 /nfs/dbraw/zinc/65/78/64/350657864.db2.gz PCPBHWVXZJAHGV-UHFFFAOYSA-N -1 3 234.259 0.816 20 0 BCADHM COCCOc1ccc(Cc2nn[n-]n2)cc1 ZINC000095316837 350657865 /nfs/dbraw/zinc/65/78/65/350657865.db2.gz PCPBHWVXZJAHGV-UHFFFAOYSA-N -1 3 234.259 0.816 20 0 BCADHM Cn1c(NC(=O)c2cnn[n-]2)nnc1C1CC1 ZINC000617289271 350687683 /nfs/dbraw/zinc/68/76/83/350687683.db2.gz JAAVYIJPOWPSTI-UHFFFAOYSA-N -1 3 233.235 0.063 20 0 BCADHM Cn1c(NC(=O)c2c[n-]nn2)nnc1C1CC1 ZINC000617289271 350687686 /nfs/dbraw/zinc/68/76/86/350687686.db2.gz JAAVYIJPOWPSTI-UHFFFAOYSA-N -1 3 233.235 0.063 20 0 BCADHM Cn1c(NC(=O)c2cn[n-]n2)nnc1C1CC1 ZINC000617289271 350687687 /nfs/dbraw/zinc/68/76/87/350687687.db2.gz JAAVYIJPOWPSTI-UHFFFAOYSA-N -1 3 233.235 0.063 20 0 BCADHM C[C@@H](CO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000035609046 358457959 /nfs/dbraw/zinc/45/79/59/358457959.db2.gz GKIJAABYBTWXPG-QMMMGPOBSA-N -1 3 246.266 0.639 20 0 BCADHM C[C@H](CO)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000035609047 358458108 /nfs/dbraw/zinc/45/81/08/358458108.db2.gz GKIJAABYBTWXPG-MRVPVSSYSA-N -1 3 246.266 0.639 20 0 BCADHM CC(C)(CCO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000165970574 191123519 /nfs/dbraw/zinc/12/35/19/191123519.db2.gz LUGNPSHVWDLBQG-UHFFFAOYSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@H]1O ZINC000626293353 350899513 /nfs/dbraw/zinc/89/95/13/350899513.db2.gz ADJUTVFHVMYLBG-VXNVDRBHSA-N -1 3 237.259 0.025 20 0 BCADHM Cc1cccc([O-])c1C(=O)N(C)[C@H]1CCNC1=O ZINC000626289622 350889273 /nfs/dbraw/zinc/88/92/73/350889273.db2.gz CEDNOARFSOMRDY-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM COC1(C)CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000626319221 350965283 /nfs/dbraw/zinc/96/52/83/350965283.db2.gz CIKONTGEDIZLGN-UHFFFAOYSA-N -1 3 223.232 0.043 20 0 BCADHM CC(C)C[C@H](NC(=O)[C@H](C)NC1CC1)C(=O)[O-] ZINC000382936551 351063314 /nfs/dbraw/zinc/06/33/14/351063314.db2.gz HKMKEHTYJSNJJJ-WPRPVWTQSA-N -1 3 242.319 0.742 20 0 BCADHM CCC[C@H](CNC(=O)c1c[n-]nn1)OCC ZINC000628348246 351306244 /nfs/dbraw/zinc/30/62/44/351306244.db2.gz GUJQWEYAIABALD-MRVPVSSYSA-N -1 3 226.280 0.740 20 0 BCADHM CCC[C@H](CNC(=O)c1cnn[n-]1)OCC ZINC000628348246 351306245 /nfs/dbraw/zinc/30/62/45/351306245.db2.gz GUJQWEYAIABALD-MRVPVSSYSA-N -1 3 226.280 0.740 20 0 BCADHM CCC[C@H](CNC(=O)c1cn[n-]n1)OCC ZINC000628348246 351306248 /nfs/dbraw/zinc/30/62/48/351306248.db2.gz GUJQWEYAIABALD-MRVPVSSYSA-N -1 3 226.280 0.740 20 0 BCADHM O=C(COCC(F)F)[N-]c1nncn1C1CC1 ZINC000626977588 363076093 /nfs/dbraw/zinc/07/60/93/363076093.db2.gz VBWBMUWMXMPANP-UHFFFAOYSA-N -1 3 246.217 0.833 20 0 BCADHM CCCC[C@H](C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297896855 352488369 /nfs/dbraw/zinc/48/83/69/352488369.db2.gz VXDNWAXESMLXJG-LURJTMIESA-N -1 3 239.279 0.668 20 0 BCADHM CCCC[C@H](C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297896855 352488373 /nfs/dbraw/zinc/48/83/73/352488373.db2.gz VXDNWAXESMLXJG-LURJTMIESA-N -1 3 239.279 0.668 20 0 BCADHM CCCC[C@H](C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297896855 352488375 /nfs/dbraw/zinc/48/83/75/352488375.db2.gz VXDNWAXESMLXJG-LURJTMIESA-N -1 3 239.279 0.668 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-][C@@H]1COC[C@@H]1O ZINC000307454482 352609050 /nfs/dbraw/zinc/60/90/50/352609050.db2.gz WHWCXQVPFVCKHO-UHNVWZDZSA-N -1 3 228.075 0.056 20 0 BCADHM C[C@@H](C(=O)[O-])N1C[C@@H](C)OC(C)(C)C1 ZINC000045696743 352663055 /nfs/dbraw/zinc/66/30/55/352663055.db2.gz UREAYQOWACMATO-SFYZADRCSA-N -1 3 201.266 0.959 20 0 BCADHM CSc1nnc(NC(=O)Cc2cc[nH]n2)[n-]1 ZINC000266502877 352677313 /nfs/dbraw/zinc/67/73/13/352677313.db2.gz GGFLNCZCVXGNDK-UHFFFAOYSA-N -1 3 238.276 0.431 20 0 BCADHM CSc1n[n-]c(NC(=O)Cc2cc[nH]n2)n1 ZINC000266502877 352677314 /nfs/dbraw/zinc/67/73/14/352677314.db2.gz GGFLNCZCVXGNDK-UHFFFAOYSA-N -1 3 238.276 0.431 20 0 BCADHM CSc1nc(NC(=O)Cc2cc[nH]n2)n[n-]1 ZINC000266502877 352677317 /nfs/dbraw/zinc/67/73/17/352677317.db2.gz GGFLNCZCVXGNDK-UHFFFAOYSA-N -1 3 238.276 0.431 20 0 BCADHM Cn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)cn1 ZINC000334231350 352849023 /nfs/dbraw/zinc/84/90/23/352849023.db2.gz UISXDXFORFSGFG-JGVFFNPUSA-N -1 3 247.295 0.589 20 0 BCADHM O=S(=O)([N-]C1(C(F)F)CC1)N1CCC1 ZINC000334236923 352855403 /nfs/dbraw/zinc/85/54/03/352855403.db2.gz ROFHWVGXILZYGE-UHFFFAOYSA-N -1 3 226.248 0.324 20 0 BCADHM Cc1ncc(CNC(=O)Cc2cc[nH]n2)c(=O)[n-]1 ZINC000345100749 538105573 /nfs/dbraw/zinc/10/55/73/538105573.db2.gz WSTAYWSWVDWEJL-UHFFFAOYSA-N -1 3 247.258 0.073 20 0 BCADHM CCNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000334413610 353095655 /nfs/dbraw/zinc/09/56/55/353095655.db2.gz MFDYELZUWPIVEG-UHFFFAOYSA-N -1 3 208.196 0.847 20 0 BCADHM CCNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000334413610 353095657 /nfs/dbraw/zinc/09/56/57/353095657.db2.gz MFDYELZUWPIVEG-UHFFFAOYSA-N -1 3 208.196 0.847 20 0 BCADHM CCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000334413610 353095658 /nfs/dbraw/zinc/09/56/58/353095658.db2.gz MFDYELZUWPIVEG-UHFFFAOYSA-N -1 3 208.196 0.847 20 0 BCADHM CC(C)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000054262594 188127188 /nfs/dbraw/zinc/12/71/88/188127188.db2.gz MBEQDYVNWPWAGP-UHFFFAOYSA-N -1 3 242.319 0.650 20 0 BCADHM CCOCCC1(CNC(=O)c2c[n-]nn2)CC1 ZINC000158963410 188158087 /nfs/dbraw/zinc/15/80/87/188158087.db2.gz NWLUQNMEXUVVCL-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM CCOCCC1(CNC(=O)c2cnn[n-]2)CC1 ZINC000158963410 188158088 /nfs/dbraw/zinc/15/80/88/188158088.db2.gz NWLUQNMEXUVVCL-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM CCOCCC1(CNC(=O)c2cn[n-]n2)CC1 ZINC000158963410 188158089 /nfs/dbraw/zinc/15/80/89/188158089.db2.gz NWLUQNMEXUVVCL-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM CC=C(C)C(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000267619748 188196579 /nfs/dbraw/zinc/19/65/79/188196579.db2.gz UIRIIECPXUBSBQ-GQCTYLIASA-N -1 3 238.247 0.425 20 0 BCADHM C/C=C(\C)C(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000267619748 188196580 /nfs/dbraw/zinc/19/65/80/188196580.db2.gz UIRIIECPXUBSBQ-GQCTYLIASA-N -1 3 238.247 0.425 20 0 BCADHM CC=C(C)C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000267619748 188196581 /nfs/dbraw/zinc/19/65/81/188196581.db2.gz UIRIIECPXUBSBQ-GQCTYLIASA-N -1 3 238.247 0.425 20 0 BCADHM CC1(C)C[C@H]([N-]C(=O)C(F)F)C(=O)O1 ZINC000279830734 188205169 /nfs/dbraw/zinc/20/51/69/188205169.db2.gz KRUQYVNJNOHVCD-BYPYZUCNSA-N -1 3 207.176 0.462 20 0 BCADHM Oc1[n-]c(N[C@H]2CCSC2)nc2nncc1-2 ZINC000280418355 188205214 /nfs/dbraw/zinc/20/52/14/188205214.db2.gz JNFIQMIQLKLLCL-YFKPBYRVSA-N -1 3 237.288 0.976 20 0 BCADHM CC1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000334504186 353348726 /nfs/dbraw/zinc/34/87/26/353348726.db2.gz WIQKONWOZLKSNE-UHFFFAOYSA-N -1 3 244.250 0.662 20 0 BCADHM CN(C1CC1)S(=O)(=O)[N-]CC(F)F ZINC000308427356 538116795 /nfs/dbraw/zinc/11/67/95/538116795.db2.gz RSMYLOUCVCRVHA-UHFFFAOYSA-N -1 3 214.237 0.180 20 0 BCADHM COCc1nc(S[C@@H](C)C(=O)N(C)C)n[n-]1 ZINC000353828285 353833213 /nfs/dbraw/zinc/83/32/13/353833213.db2.gz IISUVLIFOMITOE-LURJTMIESA-N -1 3 244.320 0.520 20 0 BCADHM CC[C@H](NCc1n[nH]c(=O)[n-]1)C1CCOCC1 ZINC000343405585 353878363 /nfs/dbraw/zinc/87/83/63/353878363.db2.gz RLIBVFMCAOTFTF-VIFPVBQESA-N -1 3 240.307 0.805 20 0 BCADHM Cc1ncncc1C(=O)[N-]c1nncs1 ZINC000343501052 353914675 /nfs/dbraw/zinc/91/46/75/353914675.db2.gz XBZNUSBZQXVHNJ-UHFFFAOYSA-N -1 3 221.245 0.889 20 0 BCADHM C[C@@H]1OCC[C@@]1(C)N=c1ncnc2[nH][n-]cc1-2 ZINC000343567240 353936465 /nfs/dbraw/zinc/93/64/65/353936465.db2.gz YKWXGAWSBVTCHB-WRWORJQWSA-N -1 3 233.275 0.706 20 0 BCADHM CCCN(C)CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000261682836 535253982 /nfs/dbraw/zinc/25/39/82/535253982.db2.gz HSEUVDKVCIKSCX-ONGXEEELSA-N -1 3 244.335 0.944 20 0 BCADHM CCCS(=O)(=O)[N-]Cc1noc(C)n1 ZINC000230617401 363314447 /nfs/dbraw/zinc/31/44/47/363314447.db2.gz NVYJNJUFSBZDBA-UHFFFAOYSA-N -1 3 219.266 0.207 20 0 BCADHM COCCCN1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000332406088 134004933 /nfs/dbraw/zinc/00/49/33/134004933.db2.gz LYFMWMCDCQUDOR-VIFPVBQESA-N -1 3 239.323 0.401 20 0 BCADHM O=S(=O)([N-]Cc1ccno1)c1ccccn1 ZINC000351919012 134005491 /nfs/dbraw/zinc/00/54/91/134005491.db2.gz LFBDXLYEBKGUND-UHFFFAOYSA-N -1 3 239.256 0.548 20 0 BCADHM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000334657770 354452992 /nfs/dbraw/zinc/45/29/92/354452992.db2.gz HFTJNYDCPUEJDD-ZETCQYMHSA-N -1 3 246.288 0.001 20 0 BCADHM CC(C)N(C)CC(=O)Nc1ccncc1[O-] ZINC000345357268 354628834 /nfs/dbraw/zinc/62/88/34/354628834.db2.gz DLSFDZYCRWBODB-UHFFFAOYSA-N -1 3 223.276 0.488 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCNC(=O)C2)n1 ZINC000346005487 354837683 /nfs/dbraw/zinc/83/76/83/354837683.db2.gz YNMVGLJSTYKTBF-MRVPVSSYSA-N -1 3 249.270 0.560 20 0 BCADHM COc1cc([N-]C(=O)c2nncs2)nn1C ZINC000530187214 324518129 /nfs/dbraw/zinc/51/81/29/324518129.db2.gz KUYPEPCPFPJEEX-UHFFFAOYSA-N -1 3 239.260 0.533 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC(F)F)cn1 ZINC000335244339 355182157 /nfs/dbraw/zinc/18/21/57/355182157.db2.gz ACIINEUTTQXQOH-UHFFFAOYSA-N -1 3 236.243 0.933 20 0 BCADHM COCC[C@H](C)CN=c1ncnc2[nH][n-]cc1-2 ZINC000413491872 191388895 /nfs/dbraw/zinc/38/88/95/191388895.db2.gz KNROLAJGUZLHIK-QMMMGPOBSA-N -1 3 235.291 0.811 20 0 BCADHM C[C@@H]1C[C@@H](CN=c2ncnc3[nH][n-]cc2-3)[C@H](C)O1 ZINC000413526015 191393109 /nfs/dbraw/zinc/39/31/09/191393109.db2.gz AXTRCDCHUUYSOD-VGMNWLOBSA-N -1 3 247.302 0.952 20 0 BCADHM C[C@H]1CC[C@H](CN=c2ncnc3[nH][n-]cc2-3)O1 ZINC000413382306 191378422 /nfs/dbraw/zinc/37/84/22/191378422.db2.gz YSOJBJJCJAUXJK-JGVFFNPUSA-N -1 3 233.275 0.706 20 0 BCADHM O=S(=O)(Cc1ccon1)[N-]C1(CF)CCC1 ZINC000583496821 355327764 /nfs/dbraw/zinc/32/77/64/355327764.db2.gz KTOLEMMFRDVUFR-UHFFFAOYSA-N -1 3 248.279 0.986 20 0 BCADHM NC(=O)C1([N-]S(=O)(=O)c2ccco2)CC1 ZINC000331472318 181201669 /nfs/dbraw/zinc/20/16/69/181201669.db2.gz KBGASXNHBGMHIH-UHFFFAOYSA-N -1 3 230.245 0.626 20 0 BCADHM Cc1ccc(C(=O)N[C@@H]2CNC(=O)C2)c([O-])c1C ZINC000335871844 355638791 /nfs/dbraw/zinc/63/87/91/355638791.db2.gz IPCRZJLAMOGNIV-VIFPVBQESA-N -1 3 248.282 0.627 20 0 BCADHM C[C@@H]1CC[C@@H](N(C)Cc2nn(C)c(=O)[n-]2)C1 ZINC000335890276 355682491 /nfs/dbraw/zinc/68/24/91/355682491.db2.gz WDCJETMOAPBEGF-RKDXNWHRSA-N -1 3 224.308 0.729 20 0 BCADHM CC[C@H]1CC[C@H](C)N1Cc1nc(=O)n(C)[n-]1 ZINC000336002353 134047774 /nfs/dbraw/zinc/04/77/74/134047774.db2.gz QHJLTLPDRACGRP-IUCAKERBSA-N -1 3 224.308 0.871 20 0 BCADHM CCC1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000336001799 134047791 /nfs/dbraw/zinc/04/77/91/134047791.db2.gz JYVNSHFYGGPAKM-UHFFFAOYSA-N -1 3 224.308 0.730 20 0 BCADHM CCN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CCCO1 ZINC000329599575 355933130 /nfs/dbraw/zinc/93/31/30/355933130.db2.gz PWWIWPXRYHOZCY-SECBINFHSA-N -1 3 240.307 0.109 20 0 BCADHM COCCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000351489313 355999909 /nfs/dbraw/zinc/99/99/09/355999909.db2.gz IFJWZSYASRYRJP-UHFFFAOYSA-N -1 3 246.270 0.848 20 0 BCADHM C/C=C\C[C@@H](CO)NC(=O)c1csc(=O)[n-]1 ZINC000351144320 355953998 /nfs/dbraw/zinc/95/39/98/355953998.db2.gz WYJZJMKUNQYGDG-XDVGHUOJSA-N -1 3 242.300 0.906 20 0 BCADHM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C)C1 ZINC000617552386 356108370 /nfs/dbraw/zinc/10/83/70/356108370.db2.gz NAEQPGKXMXLARG-JTQLQIEISA-N -1 3 249.314 0.953 20 0 BCADHM O=C(N[C@@H]1Cc2cncn2C1)c1cncc([O-])c1 ZINC000623260121 356097327 /nfs/dbraw/zinc/09/73/27/356097327.db2.gz VFAYFFTXDIQMOB-SECBINFHSA-N -1 3 244.254 0.338 20 0 BCADHM CC1(C)CN(C(=O)c2csc(=O)[n-]2)C[C@@H]1O ZINC000329974495 356154155 /nfs/dbraw/zinc/15/41/55/356154155.db2.gz XKHMEKHWBLMSEL-ZETCQYMHSA-N -1 3 242.300 0.692 20 0 BCADHM C[C@@H]1CCN(C(=O)c2csc(=O)[n-]2)[C@@H]1CO ZINC000329920335 356145126 /nfs/dbraw/zinc/14/51/26/356145126.db2.gz GYJQTIOUWMQWLU-HTRCEHHLSA-N -1 3 242.300 0.692 20 0 BCADHM NC(=O)N[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000336382374 181261604 /nfs/dbraw/zinc/26/16/04/181261604.db2.gz LYBYAUNBJNGSSF-VIFPVBQESA-N -1 3 249.270 0.275 20 0 BCADHM NC(=O)[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000020295369 181269622 /nfs/dbraw/zinc/26/96/22/181269622.db2.gz GFWAMZCIXOTMCX-JTQLQIEISA-N -1 3 234.255 0.482 20 0 BCADHM NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000020295377 181269742 /nfs/dbraw/zinc/26/97/42/181269742.db2.gz JMUZTBRTQIFAJC-VIFPVBQESA-N -1 3 234.255 0.482 20 0 BCADHM CCc1cnccc1CNC(=O)c1c[n-]nn1 ZINC000352597903 356388309 /nfs/dbraw/zinc/38/83/09/356388309.db2.gz MOFIOQCQDOFWRS-UHFFFAOYSA-N -1 3 231.259 0.692 20 0 BCADHM CCc1cnccc1CNC(=O)c1cnn[n-]1 ZINC000352597903 356388313 /nfs/dbraw/zinc/38/83/13/356388313.db2.gz MOFIOQCQDOFWRS-UHFFFAOYSA-N -1 3 231.259 0.692 20 0 BCADHM CCc1cnccc1CNC(=O)c1cn[n-]n1 ZINC000352597903 356388317 /nfs/dbraw/zinc/38/83/17/356388317.db2.gz MOFIOQCQDOFWRS-UHFFFAOYSA-N -1 3 231.259 0.692 20 0 BCADHM CC1(S(=O)(=O)[N-]CC(F)(F)CN)CC1 ZINC000420413343 192241059 /nfs/dbraw/zinc/24/10/59/192241059.db2.gz CLCVQXWQEWDIQS-UHFFFAOYSA-N -1 3 228.264 0.052 20 0 BCADHM CCc1cc(=O)[n-]c(CN(CC)C[C@H](C)O)n1 ZINC000352201031 134100428 /nfs/dbraw/zinc/10/04/28/134100428.db2.gz DBRJFJRAKATUMK-VIFPVBQESA-N -1 3 239.319 0.947 20 0 BCADHM C[C@@H](CO)SCc1n[n-]c(=O)s1 ZINC000379320225 356443166 /nfs/dbraw/zinc/44/31/66/356443166.db2.gz VJYLWEYXSPSOLU-BYPYZUCNSA-N -1 3 206.292 0.858 20 0 BCADHM CC[C@H](C)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000420705121 192256849 /nfs/dbraw/zinc/25/68/49/192256849.db2.gz JTSYAVUGYHZGKD-QMMMGPOBSA-N -1 3 231.321 0.745 20 0 BCADHM CC(=O)CN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000639625778 356540198 /nfs/dbraw/zinc/54/01/98/356540198.db2.gz CQPRZVXBWAHOAD-UHFFFAOYSA-N -1 3 225.248 0.544 20 0 BCADHM CSc1nnc(NC(=O)[C@H](O)C2CCC2)[n-]1 ZINC000449819784 202042079 /nfs/dbraw/zinc/04/20/79/202042079.db2.gz JSDAJJOERMVVMB-ZCFIWIBFSA-N -1 3 242.304 0.626 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H](O)C2CCC2)n1 ZINC000449819784 202042082 /nfs/dbraw/zinc/04/20/82/202042082.db2.gz JSDAJJOERMVVMB-ZCFIWIBFSA-N -1 3 242.304 0.626 20 0 BCADHM CSc1nc(NC(=O)[C@H](O)C2CCC2)n[n-]1 ZINC000449819784 202042085 /nfs/dbraw/zinc/04/20/85/202042085.db2.gz JSDAJJOERMVVMB-ZCFIWIBFSA-N -1 3 242.304 0.626 20 0 BCADHM Cc1cc([N-]S(=O)(=O)N(C)C)nn1C(C)C ZINC000421183435 192314364 /nfs/dbraw/zinc/31/43/64/192314364.db2.gz NNFAIHLWYZCIEX-UHFFFAOYSA-N -1 3 246.336 0.991 20 0 BCADHM C[C@H]1OCC[C@@H]1CN(C)Cc1n[n-]c(=O)o1 ZINC000639674785 356591881 /nfs/dbraw/zinc/59/18/81/356591881.db2.gz AFSGHJOAOLWXAU-HTQZYQBOSA-N -1 3 227.264 0.632 20 0 BCADHM C[C@@H](CO)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000450164393 202087790 /nfs/dbraw/zinc/08/77/90/202087790.db2.gz VYXZUEFQLWSFIM-MRVPVSSYSA-N -1 3 241.262 0.818 20 0 BCADHM C[C@H](CO)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000450299444 202123975 /nfs/dbraw/zinc/12/39/75/202123975.db2.gz CWXMODJSUGJKCN-MRVPVSSYSA-N -1 3 241.262 0.913 20 0 BCADHM CCCN1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000389568581 356992694 /nfs/dbraw/zinc/99/26/94/356992694.db2.gz AUIISRYLGOOSSC-QMMMGPOBSA-N -1 3 209.297 0.775 20 0 BCADHM CC1(C(N)=O)CN(Cc2ncccc2[O-])C1 ZINC000582421279 357144220 /nfs/dbraw/zinc/14/42/20/357144220.db2.gz OYRAANAVAMVVSA-UHFFFAOYSA-N -1 3 221.260 0.094 20 0 BCADHM COC[C@H](NCc1n[nH]c(=O)[n-]1)C(C)C ZINC000392366362 357148693 /nfs/dbraw/zinc/14/86/93/357148693.db2.gz HDCWOWDZAXLHLP-ZETCQYMHSA-N -1 3 214.269 0.271 20 0 BCADHM Cn1ccc(NC(=O)c2ccc3n[n-]nc3c2)n1 ZINC000024474332 357170001 /nfs/dbraw/zinc/17/00/01/357170001.db2.gz JZQHQCPQFCYEMV-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCC[C@@H]1CCO ZINC000626526619 357182041 /nfs/dbraw/zinc/18/20/41/357182041.db2.gz OFMPVDZWTKNCJT-MRVPVSSYSA-N -1 3 237.259 0.169 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCN(C(=O)N(C)C)CC1 ZINC000393626418 357290775 /nfs/dbraw/zinc/29/07/75/357290775.db2.gz PJPRQLPZLGDVLM-SECBINFHSA-N -1 3 243.307 0.149 20 0 BCADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000582472672 357314346 /nfs/dbraw/zinc/31/43/46/357314346.db2.gz PVCKJZCXPXRYAN-FWOIEVBISA-N -1 3 237.263 0.278 20 0 BCADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000582472672 357314349 /nfs/dbraw/zinc/31/43/49/357314349.db2.gz PVCKJZCXPXRYAN-FWOIEVBISA-N -1 3 237.263 0.278 20 0 BCADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000582472672 357314351 /nfs/dbraw/zinc/31/43/51/357314351.db2.gz PVCKJZCXPXRYAN-FWOIEVBISA-N -1 3 237.263 0.278 20 0 BCADHM CC1(CN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)CCC1 ZINC000582643370 357354940 /nfs/dbraw/zinc/35/49/40/357354940.db2.gz ATOBOMHTXVZRID-VIFPVBQESA-N -1 3 237.303 0.413 20 0 BCADHM Cc1nc(NC(=O)Cc2cncc([O-])c2)nn1C ZINC000582796437 357397881 /nfs/dbraw/zinc/39/78/81/357397881.db2.gz POUWEKBUXXBFSF-UHFFFAOYSA-N -1 3 247.258 0.405 20 0 BCADHM CCCCS(=O)(=O)[N-][C@@H]1COC[C@H]1OC ZINC000582903422 357426852 /nfs/dbraw/zinc/42/68/52/357426852.db2.gz ZFXFNYDOGVBPKP-RKDXNWHRSA-N -1 3 237.321 0.120 20 0 BCADHM Cc1cc(C(=O)NC[C@@](C)(O)CO)ccc1[O-] ZINC000232368895 357660017 /nfs/dbraw/zinc/66/00/17/357660017.db2.gz FHNOSPSKAGEEJO-GFCCVEGCSA-N -1 3 239.271 0.174 20 0 BCADHM CC(=O)N1CC(NCc2cc([O-])cc(F)c2)C1 ZINC000584665587 358128444 /nfs/dbraw/zinc/12/84/44/358128444.db2.gz RXSYMBABWYMYCD-UHFFFAOYSA-N -1 3 238.262 0.852 20 0 BCADHM CC[C@H](C)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000224523803 358235118 /nfs/dbraw/zinc/23/51/18/358235118.db2.gz JADCWRBMLJRNNC-DTWKUNHWSA-N -1 3 201.266 0.818 20 0 BCADHM CC[C@H](C)N(CC(=O)[O-])C(=O)CNC1CC1 ZINC000040486142 358237641 /nfs/dbraw/zinc/23/76/41/358237641.db2.gz NGXYSTKTKWMRIY-QMMMGPOBSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@@H](O)CN(C)C(=O)c1c([O-])cccc1O ZINC000230722565 491130607 /nfs/dbraw/zinc/13/06/07/491130607.db2.gz QRYSLWDCUWJRSY-SSDOTTSWSA-N -1 3 225.244 0.551 20 0 BCADHM CCCC[C@H](NC(=O)[C@@H](N)CC)C(=O)[O-] ZINC000040482448 358442081 /nfs/dbraw/zinc/44/20/81/358442081.db2.gz MVSZHVKQFITNJP-YUMQZZPRSA-N -1 3 216.281 0.483 20 0 BCADHM COCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000047832858 358603635 /nfs/dbraw/zinc/60/36/35/358603635.db2.gz OGJHAWUYBYLQFT-UHFFFAOYSA-N -1 3 246.266 0.904 20 0 BCADHM NC(=O)Cc1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000048891738 358658796 /nfs/dbraw/zinc/65/87/96/358658796.db2.gz HPFBYSMJZBTSBX-UHFFFAOYSA-N -1 3 245.242 0.085 20 0 BCADHM NC(=O)Cc1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC000048891738 358658799 /nfs/dbraw/zinc/65/87/99/358658799.db2.gz HPFBYSMJZBTSBX-UHFFFAOYSA-N -1 3 245.242 0.085 20 0 BCADHM NC(=O)Cc1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000048891738 358658801 /nfs/dbraw/zinc/65/88/01/358658801.db2.gz HPFBYSMJZBTSBX-UHFFFAOYSA-N -1 3 245.242 0.085 20 0 BCADHM CN1CC[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000048907998 358660993 /nfs/dbraw/zinc/66/09/93/358660993.db2.gz DLAGXAFSFYNAMH-QMMMGPOBSA-N -1 3 246.357 0.731 20 0 BCADHM COC[C@H](C)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000049180868 358674902 /nfs/dbraw/zinc/67/49/02/358674902.db2.gz PFGBFNHDIBYKPA-MRVPVSSYSA-N -1 3 248.286 0.970 20 0 BCADHM CCOCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351364196 366517100 /nfs/dbraw/zinc/51/71/00/366517100.db2.gz DGKBDPQHJQZGIB-UHFFFAOYSA-N -1 3 222.204 0.769 20 0 BCADHM O=C(c1ccccc1[O-])N1CCNC(=O)CC1 ZINC000059894636 358921002 /nfs/dbraw/zinc/92/10/02/358921002.db2.gz NAYXQUNEJSEIFZ-UHFFFAOYSA-N -1 3 234.255 0.354 20 0 BCADHM C[C@H]1COCC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000626668415 359024525 /nfs/dbraw/zinc/02/45/25/359024525.db2.gz LAEDIOGVWNAZMZ-JGVFFNPUSA-N -1 3 237.259 0.337 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCCCO1 ZINC000626612679 358982724 /nfs/dbraw/zinc/98/27/24/358982724.db2.gz LRMOELHIIFOBCU-UHFFFAOYSA-N -1 3 209.205 0.350 20 0 BCADHM O=C(NCCOCC(F)F)c1cc(=O)[n-]cn1 ZINC000626629354 358993591 /nfs/dbraw/zinc/99/35/91/358993591.db2.gz IYNBBDKBHHQQJQ-UHFFFAOYSA-N -1 3 247.201 0.194 20 0 BCADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CCCC1 ZINC000073551075 359102557 /nfs/dbraw/zinc/10/25/57/359102557.db2.gz VFAHSJZPKNQFRB-UHFFFAOYSA-N -1 3 248.282 0.744 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1c[n-]nn1 ZINC000247398207 359218333 /nfs/dbraw/zinc/21/83/33/359218333.db2.gz LYPJQVIUNBSBQY-QXFUBDJGSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cnn[n-]1 ZINC000247398207 359218339 /nfs/dbraw/zinc/21/83/39/359218339.db2.gz LYPJQVIUNBSBQY-QXFUBDJGSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cn[n-]n1 ZINC000247398207 359218345 /nfs/dbraw/zinc/21/83/45/359218345.db2.gz LYPJQVIUNBSBQY-QXFUBDJGSA-N -1 3 236.275 0.492 20 0 BCADHM CCSCCN1C[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000580456579 359564187 /nfs/dbraw/zinc/56/41/87/359564187.db2.gz ISNGPBBZGOXTBA-DTWKUNHWSA-N -1 3 233.333 0.913 20 0 BCADHM CC1(F)CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000626726015 359582408 /nfs/dbraw/zinc/58/24/08/359582408.db2.gz LAUCMLZILUWIMW-UHFFFAOYSA-N -1 3 211.196 0.366 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C1CC1)c1cc(=O)[n-]cn1 ZINC000626813275 359726799 /nfs/dbraw/zinc/72/67/99/359726799.db2.gz DFGCGCYHWHJSNL-JGVFFNPUSA-N -1 3 219.244 0.711 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)C[C@H]2CCOC2)CC1 ZINC000632448519 359766296 /nfs/dbraw/zinc/76/62/96/359766296.db2.gz ROPBSVWAVNALSG-VIFPVBQESA-N -1 3 247.316 0.064 20 0 BCADHM CCOC(=O)c1cc(NC(=O)CC)n[n-]1 ZINC000180922723 366559943 /nfs/dbraw/zinc/55/99/43/366559943.db2.gz PFHFETOSDPEIJL-UHFFFAOYSA-N -1 3 211.221 0.935 20 0 BCADHM CCOC(=O)c1cc(NC(=O)CC)[n-]n1 ZINC000180922723 366559948 /nfs/dbraw/zinc/55/99/48/366559948.db2.gz PFHFETOSDPEIJL-UHFFFAOYSA-N -1 3 211.221 0.935 20 0 BCADHM CCOC(=O)c1cc(NC(=O)[C@H](C)OC)n[n-]1 ZINC000180935878 366561565 /nfs/dbraw/zinc/56/15/65/366561565.db2.gz GHMHVUGPQKTBDW-LURJTMIESA-N -1 3 241.247 0.560 20 0 BCADHM CCOC(=O)c1cc(NC(=O)[C@H](C)OC)[n-]n1 ZINC000180935878 366561570 /nfs/dbraw/zinc/56/15/70/366561570.db2.gz GHMHVUGPQKTBDW-LURJTMIESA-N -1 3 241.247 0.560 20 0 BCADHM CN(CC1(CO)CC1)c1ccncc1C(=O)[O-] ZINC000578445803 366566964 /nfs/dbraw/zinc/56/69/64/366566964.db2.gz UGCKQMPTAXMZDE-UHFFFAOYSA-N -1 3 236.271 0.989 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CC23CC3)c1 ZINC000578503912 366581376 /nfs/dbraw/zinc/58/13/76/366581376.db2.gz CDNGLRCFLVTBPJ-QMMMGPOBSA-N -1 3 241.316 0.499 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000612636281 359957482 /nfs/dbraw/zinc/95/74/82/359957482.db2.gz PFXLEBYTCDHGCU-OCAPTIKFSA-N -1 3 247.254 0.522 20 0 BCADHM CC1(O)CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000578906687 366674431 /nfs/dbraw/zinc/67/44/31/366674431.db2.gz QWIYZMILEBIKCC-UHFFFAOYSA-N -1 3 249.270 0.266 20 0 BCADHM COc1cc(C(=O)[N-]c2ncccn2)on1 ZINC000090706833 360083831 /nfs/dbraw/zinc/08/38/31/360083831.db2.gz QAVNNOLHADBGTP-UHFFFAOYSA-N -1 3 220.188 0.726 20 0 BCADHM C[C@@H]1CCC[C@H](C)N1Cc1n[nH]c(=O)[n-]1 ZINC000091588444 360121306 /nfs/dbraw/zinc/12/13/06/360121306.db2.gz FEFVEWKOXFYWPG-OCAPTIKFSA-N -1 3 210.281 0.861 20 0 BCADHM CC(=O)c1ccc(C(=O)NC2(CO)CC2)cc1[O-] ZINC000612917456 360176674 /nfs/dbraw/zinc/17/66/74/360176674.db2.gz WFJXJQZTXWUORO-UHFFFAOYSA-N -1 3 249.266 0.850 20 0 BCADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCNC1=O ZINC000613027251 360292964 /nfs/dbraw/zinc/29/29/64/360292964.db2.gz KFGCFZLMZLQPEG-ZETCQYMHSA-N -1 3 238.218 0.606 20 0 BCADHM O=C(Nc1ccc2c[nH]nc2c1)c1nc[n-]n1 ZINC000095041560 360333024 /nfs/dbraw/zinc/33/30/24/360333024.db2.gz PSOCKFDTDFPLDG-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM NC(=O)Cc1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000095041287 360333324 /nfs/dbraw/zinc/33/33/24/360333324.db2.gz WMBYDZGIDLCELZ-UHFFFAOYSA-N -1 3 245.242 0.085 20 0 BCADHM CNC(=O)c1cccc(NC(=O)c2nc[n-]n2)c1 ZINC000095041914 360333702 /nfs/dbraw/zinc/33/37/02/360333702.db2.gz ZGICZVMNQGDIFR-UHFFFAOYSA-N -1 3 245.242 0.417 20 0 BCADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1nc[n-]n1 ZINC000095041543 360333715 /nfs/dbraw/zinc/33/37/15/360333715.db2.gz ADJYTBRBYRLJAD-UHFFFAOYSA-N -1 3 245.198 0.492 20 0 BCADHM Cc1cc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)ccc1[O-] ZINC000628777456 360644672 /nfs/dbraw/zinc/64/46/72/360644672.db2.gz NLUMTGXQIWVEGD-MGCOHNPYSA-N -1 3 248.282 0.694 20 0 BCADHM CCOC1(C(=O)Nc2n[n-]c(OC)n2)CCC1 ZINC000613196015 360708839 /nfs/dbraw/zinc/70/88/39/360708839.db2.gz MBJVHLUPCCOEGZ-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM CCOC1(C(=O)Nc2nnc(OC)[n-]2)CCC1 ZINC000613196015 360708840 /nfs/dbraw/zinc/70/88/40/360708840.db2.gz MBJVHLUPCCOEGZ-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM CCOC1(C(=O)Nc2nc(OC)n[n-]2)CCC1 ZINC000613196015 360708841 /nfs/dbraw/zinc/70/88/41/360708841.db2.gz MBJVHLUPCCOEGZ-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM O=C(CNC(=O)c1cc(=O)[n-]cn1)C1CCCC1 ZINC000628989759 360783604 /nfs/dbraw/zinc/78/36/04/360783604.db2.gz HQMVVVLSRPPSPY-UHFFFAOYSA-N -1 3 249.270 0.671 20 0 BCADHM O=C(N[C@@H]1CCOC[C@H]1O)c1cccc([O-])c1 ZINC000629217035 360953603 /nfs/dbraw/zinc/95/36/03/360953603.db2.gz UGOLPNSHGNNEGT-GHMZBOCLSA-N -1 3 237.255 0.272 20 0 BCADHM Cn1ncnc1CNC1(C(=O)[O-])CCCC1 ZINC000309659682 491153909 /nfs/dbraw/zinc/15/39/09/491153909.db2.gz BDTCYXOXZZBNAA-UHFFFAOYSA-N -1 3 224.264 0.302 20 0 BCADHM CC(=O)N1CCN([C@H](CC(C)C)C(=O)[O-])CC1 ZINC000629485881 361091452 /nfs/dbraw/zinc/09/14/52/361091452.db2.gz OFQBJKZDXBSNHK-LLVKDONJSA-N -1 3 242.319 0.650 20 0 BCADHM Cn1cc(S(=O)(=O)[N-]CC(C)(C)F)cn1 ZINC000632608950 361166066 /nfs/dbraw/zinc/16/60/66/361166066.db2.gz NMBIDUBUMGCCRD-UHFFFAOYSA-N -1 3 235.284 0.447 20 0 BCADHM Cc1ncc(CNC(=O)[C@@]2(C)C[C@H]2F)c(=O)[n-]1 ZINC000424756284 200961035 /nfs/dbraw/zinc/96/10/35/200961035.db2.gz GCPIUYYLESUZKD-KCJUWKMLSA-N -1 3 239.250 0.855 20 0 BCADHM NC1(C(=O)[N-]OCc2ccccc2)CC1 ZINC000083836520 181328394 /nfs/dbraw/zinc/32/83/94/181328394.db2.gz KUVKXORKBJJRJV-UHFFFAOYSA-N -1 3 206.245 0.726 20 0 BCADHM C[C@H]1COCCN1C(=O)c1cc(F)c[n-]c1=O ZINC000622072582 370692655 /nfs/dbraw/zinc/69/26/55/370692655.db2.gz SEHOMUKKUUTMGE-ZETCQYMHSA-N -1 3 240.234 0.787 20 0 BCADHM CC(C)CCCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000429326230 201102175 /nfs/dbraw/zinc/10/21/75/201102175.db2.gz GDGNTVSBCHLLAG-JTQLQIEISA-N -1 3 239.319 0.659 20 0 BCADHM CCC(CC)NC(=O)C(=O)[N-]c1cnns1 ZINC000429676099 201124996 /nfs/dbraw/zinc/12/49/96/201124996.db2.gz POSLINVLLVDYLZ-UHFFFAOYSA-N -1 3 242.304 0.781 20 0 BCADHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000632630988 361454528 /nfs/dbraw/zinc/45/45/28/361454528.db2.gz SNJBNTODVOBCQS-RQJHMYQMSA-N -1 3 215.278 0.107 20 0 BCADHM O=C(N[C@@H]1Cc2cccc(O)c2C1)c1c[n-]nn1 ZINC000430238633 201156748 /nfs/dbraw/zinc/15/67/48/201156748.db2.gz IBOGCYIJEUCNFL-MRVPVSSYSA-N -1 3 244.254 0.408 20 0 BCADHM O=C(N[C@@H]1Cc2cccc(O)c2C1)c1cnn[n-]1 ZINC000430238633 201156749 /nfs/dbraw/zinc/15/67/49/201156749.db2.gz IBOGCYIJEUCNFL-MRVPVSSYSA-N -1 3 244.254 0.408 20 0 BCADHM O=C(N[C@@H]1Cc2cccc(O)c2C1)c1cn[n-]n1 ZINC000430238633 201156751 /nfs/dbraw/zinc/15/67/51/201156751.db2.gz IBOGCYIJEUCNFL-MRVPVSSYSA-N -1 3 244.254 0.408 20 0 BCADHM C[C@H](O)CCC[N-]S(=O)(=O)c1ccccn1 ZINC000433358446 201183556 /nfs/dbraw/zinc/18/35/56/201183556.db2.gz BBYXHOCTGBMVHB-VIFPVBQESA-N -1 3 244.316 0.521 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000629688224 361612748 /nfs/dbraw/zinc/61/27/48/361612748.db2.gz HUYCITBNFGJVRX-IZLXSQMJSA-N -1 3 228.273 0.756 20 0 BCADHM COc1ncc(C)cc1NC(=O)c1nc[n-]n1 ZINC000435933362 201301539 /nfs/dbraw/zinc/30/15/39/201301539.db2.gz DFZREWPWMCSCQC-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM CO[C@H]1C[C@@H](CNC(=O)c2cc(=O)[n-]cn2)C1 ZINC000629813943 361712060 /nfs/dbraw/zinc/71/20/60/361712060.db2.gz PBRTYCIGGGYTCJ-OCAPTIKFSA-N -1 3 237.259 0.337 20 0 BCADHM Cc1nc([N-]C(=O)c2ccc(C(N)=O)o2)n[nH]1 ZINC000437669079 201364228 /nfs/dbraw/zinc/36/42/28/201364228.db2.gz RWYDQDWSKWVOIV-UHFFFAOYSA-N -1 3 235.203 0.057 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCOCC12CC2 ZINC000614558300 363858957 /nfs/dbraw/zinc/85/89/57/363858957.db2.gz SKFCVAQKEDCODT-UHFFFAOYSA-N -1 3 248.282 0.721 20 0 BCADHM CCC1(O)CN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000614546051 363842698 /nfs/dbraw/zinc/84/26/98/363842698.db2.gz NMPIJIPSBBKEOP-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM CCC1(O)CN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000614546051 363842704 /nfs/dbraw/zinc/84/27/04/363842704.db2.gz NMPIJIPSBBKEOP-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM CCC1(O)CN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000614546051 363842707 /nfs/dbraw/zinc/84/27/07/363842707.db2.gz NMPIJIPSBBKEOP-UHFFFAOYSA-N -1 3 246.270 0.555 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@@H](O)C(C)C ZINC000632017554 363894395 /nfs/dbraw/zinc/89/43/95/363894395.db2.gz CEKQATASEJTVCM-MRVPVSSYSA-N -1 3 248.304 0.278 20 0 BCADHM O=C(Cc1ccco1)NCCCc1cc(=O)[nH][n-]1 ZINC000614923338 364120654 /nfs/dbraw/zinc/12/06/54/364120654.db2.gz POOLUBCYFZILFQ-UHFFFAOYSA-N -1 3 249.270 0.594 20 0 BCADHM CC[C@H](NC(=O)c1cc(F)c[n-]c1=O)[C@H](C)O ZINC000622090654 370703513 /nfs/dbraw/zinc/70/35/13/370703513.db2.gz RSWHCFFGTPEOSR-RCOVLWMOSA-N -1 3 242.250 0.816 20 0 BCADHM CCn1[nH]c(C)nc1=NC(=O)c1ncc[n-]1 ZINC000622106367 370712311 /nfs/dbraw/zinc/71/23/11/370712311.db2.gz MSTZWTWOZZWLQH-UHFFFAOYSA-N -1 3 220.236 0.004 20 0 BCADHM CC(C)c1cnc(S(=O)(=O)CCO)[n-]1 ZINC000630433008 364160054 /nfs/dbraw/zinc/16/00/54/364160054.db2.gz ZHLVDSLSIWYOIQ-UHFFFAOYSA-N -1 3 218.278 0.299 20 0 BCADHM CC(C)c1c[n-]c(S(=O)(=O)CCO)n1 ZINC000630433008 364160059 /nfs/dbraw/zinc/16/00/59/364160059.db2.gz ZHLVDSLSIWYOIQ-UHFFFAOYSA-N -1 3 218.278 0.299 20 0 BCADHM CC(C)(C)c1cnc(S(=O)(=O)CCO)[n-]1 ZINC000630436461 364161965 /nfs/dbraw/zinc/16/19/65/364161965.db2.gz MDHCIVZYHZEVQW-UHFFFAOYSA-N -1 3 232.305 0.473 20 0 BCADHM CC(C)(C)c1c[n-]c(S(=O)(=O)CCO)n1 ZINC000630436461 364161970 /nfs/dbraw/zinc/16/19/70/364161970.db2.gz MDHCIVZYHZEVQW-UHFFFAOYSA-N -1 3 232.305 0.473 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CCC2(COC2)C1 ZINC000622179499 370749865 /nfs/dbraw/zinc/74/98/65/370749865.db2.gz BTBCJXQDUZSUFT-UHFFFAOYSA-N -1 3 249.266 0.960 20 0 BCADHM CCN[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000630574002 364271072 /nfs/dbraw/zinc/27/10/72/364271072.db2.gz MKWQXCCSUZBDSV-AEJSXWLSSA-N -1 3 242.319 0.696 20 0 BCADHM CC[C@](C)(OC)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614994118 364287657 /nfs/dbraw/zinc/28/76/57/364287657.db2.gz NOBRYTWVLFWMHZ-VIFPVBQESA-N -1 3 238.251 0.206 20 0 BCADHM C[C@@H]1CC[C@@H](C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC000614993558 364287757 /nfs/dbraw/zinc/28/77/57/364287757.db2.gz IZIVDCGSCKFKKN-RNFRBKRXSA-N -1 3 234.263 0.827 20 0 BCADHM O=C(CCCC1CC1)[N-]c1nnc2[nH]cnn12 ZINC000614995061 364289247 /nfs/dbraw/zinc/28/92/47/364289247.db2.gz ZNXQMHVQRYHXHF-UHFFFAOYSA-N -1 3 234.263 0.971 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C1=CCCCC1 ZINC000614994514 364290836 /nfs/dbraw/zinc/29/08/36/364290836.db2.gz RNFGZVXKACMJDE-UHFFFAOYSA-N -1 3 232.247 0.891 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)C1CCC(C)CC1 ZINC000407343836 364451643 /nfs/dbraw/zinc/45/16/43/364451643.db2.gz XPSZRAKURZOBRD-UHFFFAOYSA-N -1 3 249.332 0.658 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)CC1CCC1)C(=O)OC ZINC000357160828 366855969 /nfs/dbraw/zinc/85/59/69/366855969.db2.gz HWIARHVUJMHXQY-SECBINFHSA-N -1 3 249.332 0.658 20 0 BCADHM CN1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000037760696 364603660 /nfs/dbraw/zinc/60/36/60/364603660.db2.gz AYCMVODMBMDJTE-UHFFFAOYSA-N -1 3 235.287 0.611 20 0 BCADHM CC[C@H](C(=O)Nc1c(C)[n-][nH]c1=O)N(C)C ZINC000615221242 364642641 /nfs/dbraw/zinc/64/26/41/364642641.db2.gz JVWHFQUUUMIFIJ-SSDOTTSWSA-N -1 3 226.280 0.702 20 0 BCADHM O=C([O-])[C@@H]1COCCN1C[C@H]1CCCC[C@H]1O ZINC000328318119 364826577 /nfs/dbraw/zinc/82/65/77/364826577.db2.gz CZFGOOJBDLWHNX-OUAUKWLOSA-N -1 3 243.303 0.323 20 0 BCADHM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)[O-] ZINC000573729467 364904762 /nfs/dbraw/zinc/90/47/62/364904762.db2.gz VUPBCWBWQAJRHE-WEDXCCLWSA-N -1 3 227.260 0.345 20 0 BCADHM C[C@H]1CN(CC2(C(=O)[O-])CC2)[C@@H](C)CO1 ZINC000573689490 364893964 /nfs/dbraw/zinc/89/39/64/364893964.db2.gz NBANLMXQDZMTQR-IUCAKERBSA-N -1 3 213.277 0.960 20 0 BCADHM COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)[O-] ZINC000574259928 365020352 /nfs/dbraw/zinc/02/03/52/365020352.db2.gz FIUYRHJGSAXOOB-BBBLOLIVSA-N -1 3 241.287 0.877 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@H]1CCSC1 ZINC000575329380 365292362 /nfs/dbraw/zinc/29/23/62/365292362.db2.gz HJGLZXAPAYSWBV-VIFPVBQESA-N -1 3 238.312 0.951 20 0 BCADHM N[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000575330746 365294171 /nfs/dbraw/zinc/29/41/71/365294171.db2.gz DXXSWZVMIFMXCO-LPEHRKFASA-N -1 3 240.303 0.580 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C(C)(C)O ZINC000339070554 365448416 /nfs/dbraw/zinc/44/84/16/365448416.db2.gz PFYDJVUXHJATSS-SSDOTTSWSA-N -1 3 247.320 0.238 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCC(=O)N2C)n1 ZINC000352343318 541480948 /nfs/dbraw/zinc/48/09/48/541480948.db2.gz JCJMQSLRZGRGSW-QMMMGPOBSA-N -1 3 249.270 0.655 20 0 BCADHM CCOC(=O)[C@H](CC)Sc1n[n-]c(CO)n1 ZINC000579692657 366981536 /nfs/dbraw/zinc/98/15/36/366981536.db2.gz DJWNNBDYQDRTAT-LURJTMIESA-N -1 3 245.304 0.731 20 0 BCADHM CC[C@H](C)C[C@@H]([N-]S(C)(=O)=O)C(=O)OC ZINC000579947534 367096511 /nfs/dbraw/zinc/09/65/11/367096511.db2.gz RIPTWSGBNMVXCL-JGVFFNPUSA-N -1 3 237.321 0.513 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@@]1(O)CCOC1 ZINC000622322390 370848965 /nfs/dbraw/zinc/84/89/65/370848965.db2.gz NSVBNTMLYAGFHC-LLVKDONJSA-N -1 3 223.228 0.482 20 0 BCADHM CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(=O)[O-] ZINC000381247593 367370239 /nfs/dbraw/zinc/37/02/39/367370239.db2.gz OOSAMTQEQMKVFP-BDAKNGLRSA-N -1 3 230.308 0.552 20 0 BCADHM CCn1ccnc1NC(=O)c1cnn[n-]1 ZINC000382375995 367512730 /nfs/dbraw/zinc/51/27/30/367512730.db2.gz IPZOYMAZKFHJOJ-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CCn1ccnc1NC(=O)c1c[n-]nn1 ZINC000382375995 367512736 /nfs/dbraw/zinc/51/27/36/367512736.db2.gz IPZOYMAZKFHJOJ-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CCn1ccnc1NC(=O)c1cn[n-]n1 ZINC000382375995 367512740 /nfs/dbraw/zinc/51/27/40/367512740.db2.gz IPZOYMAZKFHJOJ-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM COCC[N-]S(=O)(=O)c1cscn1 ZINC000566161546 326004680 /nfs/dbraw/zinc/00/46/80/326004680.db2.gz DEMXCVVAPICKEO-UHFFFAOYSA-N -1 3 222.291 0.068 20 0 BCADHM O=C(N[C@H](CO)C1CCCCC1)c1c[n-]nn1 ZINC000386283591 367944925 /nfs/dbraw/zinc/94/49/25/367944925.db2.gz RMVDDZYXWROGHF-SNVBAGLBSA-N -1 3 238.291 0.476 20 0 BCADHM O=C(N[C@H](CO)C1CCCCC1)c1cnn[n-]1 ZINC000386283591 367944927 /nfs/dbraw/zinc/94/49/27/367944927.db2.gz RMVDDZYXWROGHF-SNVBAGLBSA-N -1 3 238.291 0.476 20 0 BCADHM O=C(N[C@H](CO)C1CCCCC1)c1cn[n-]n1 ZINC000386283591 367944928 /nfs/dbraw/zinc/94/49/28/367944928.db2.gz RMVDDZYXWROGHF-SNVBAGLBSA-N -1 3 238.291 0.476 20 0 BCADHM O=C(c1ccccc1[O-])N1CCOCCN1 ZINC000615489354 368066623 /nfs/dbraw/zinc/06/66/23/368066623.db2.gz WJSVLTJHLXJKIE-UHFFFAOYSA-N -1 3 222.244 0.369 20 0 BCADHM CC[C@@H](NC(=O)c1c([O-])cccc1O)[C@H](C)O ZINC000387103633 368050145 /nfs/dbraw/zinc/05/01/45/368050145.db2.gz HREMGZAJQUJBAM-JGVFFNPUSA-N -1 3 239.271 0.987 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCOCCN1 ZINC000615499945 368076925 /nfs/dbraw/zinc/07/69/25/368076925.db2.gz XVTBMZRRWYCVAC-UHFFFAOYSA-N -1 3 238.243 0.075 20 0 BCADHM C[C@H](CN(C)C(=O)C1(N)CCCCC1)C(=O)[O-] ZINC000387186587 368098843 /nfs/dbraw/zinc/09/88/43/368098843.db2.gz XWZROSLZOMKMAK-SECBINFHSA-N -1 3 242.319 0.827 20 0 BCADHM O=C(N[C@@H]1CC12CCCC2)c1c[n-]nn1 ZINC000387318618 368150913 /nfs/dbraw/zinc/15/09/13/368150913.db2.gz QRIGSSAJMAEDOM-MRVPVSSYSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(N[C@@H]1CC12CCCC2)c1cnn[n-]1 ZINC000387318618 368150919 /nfs/dbraw/zinc/15/09/19/368150919.db2.gz QRIGSSAJMAEDOM-MRVPVSSYSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(N[C@@H]1CC12CCCC2)c1cn[n-]n1 ZINC000387318618 368150926 /nfs/dbraw/zinc/15/09/26/368150926.db2.gz QRIGSSAJMAEDOM-MRVPVSSYSA-N -1 3 206.249 0.867 20 0 BCADHM C[C@@H](C[N-]S(=O)(=O)c1cccs1)N(C)C ZINC000026857180 368235653 /nfs/dbraw/zinc/23/56/53/368235653.db2.gz KMRRXWOGLCITCU-QMMMGPOBSA-N -1 3 248.373 0.977 20 0 BCADHM CN(C)c1nc([O-])c(CC(=O)NC2CC2)s1 ZINC000028892962 368242400 /nfs/dbraw/zinc/24/24/00/368242400.db2.gz ZNVZDYJSJLJGJU-SSDOTTSWSA-N -1 3 241.316 0.215 20 0 BCADHM COCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000045571469 368429392 /nfs/dbraw/zinc/42/93/92/368429392.db2.gz PZKLWPVLKMLAJC-UHFFFAOYSA-N -1 3 224.142 0.408 20 0 BCADHM COCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000045571469 368429396 /nfs/dbraw/zinc/42/93/96/368429396.db2.gz PZKLWPVLKMLAJC-UHFFFAOYSA-N -1 3 224.142 0.408 20 0 BCADHM CCOC(=O)c1nnc(CNC(=O)C2CC2)[n-]1 ZINC000615920120 368664720 /nfs/dbraw/zinc/66/47/20/368664720.db2.gz QWOGFOBUHPWVSA-UHFFFAOYSA-N -1 3 238.247 0.008 20 0 BCADHM CCO[C@@H](C)C(=O)NN=c1nc(OC)cc[n-]1 ZINC000065514155 368623653 /nfs/dbraw/zinc/62/36/53/368623653.db2.gz GGGTWUUSFHZLDJ-ZETCQYMHSA-N -1 3 240.263 0.353 20 0 BCADHM C[C@H](Cn1cncn1)NC(=O)c1ccccc1[O-] ZINC000068087383 368713024 /nfs/dbraw/zinc/71/30/24/368713024.db2.gz GOECNUJQIOMUPJ-SECBINFHSA-N -1 3 246.270 0.802 20 0 BCADHM O=C(NCCC1CC(F)(F)C1)c1c[n-]nn1 ZINC000457153615 203011248 /nfs/dbraw/zinc/01/12/48/203011248.db2.gz CGDNMYVVSUFWLJ-UHFFFAOYSA-N -1 3 230.218 0.970 20 0 BCADHM O=C(NCCC1CC(F)(F)C1)c1cnn[n-]1 ZINC000457153615 203011250 /nfs/dbraw/zinc/01/12/50/203011250.db2.gz CGDNMYVVSUFWLJ-UHFFFAOYSA-N -1 3 230.218 0.970 20 0 BCADHM O=C(NCCC1CC(F)(F)C1)c1cn[n-]n1 ZINC000457153615 203011254 /nfs/dbraw/zinc/01/12/54/203011254.db2.gz CGDNMYVVSUFWLJ-UHFFFAOYSA-N -1 3 230.218 0.970 20 0 BCADHM CCN(C)CCNC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000085414837 368864245 /nfs/dbraw/zinc/86/42/45/368864245.db2.gz HYCCDBCFJLKYFV-DTWKUNHWSA-N -1 3 242.319 0.411 20 0 BCADHM CC(C)O[C@H]1C[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000457863049 203114321 /nfs/dbraw/zinc/11/43/21/203114321.db2.gz WURSDFLPYQXUNL-OCAPTIKFSA-N -1 3 224.264 0.491 20 0 BCADHM CC(C)O[C@H]1C[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000457863049 203114323 /nfs/dbraw/zinc/11/43/23/203114323.db2.gz WURSDFLPYQXUNL-OCAPTIKFSA-N -1 3 224.264 0.491 20 0 BCADHM CC(C)O[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000457863049 203114327 /nfs/dbraw/zinc/11/43/27/203114327.db2.gz WURSDFLPYQXUNL-OCAPTIKFSA-N -1 3 224.264 0.491 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@@]2(O)C[C@H]2C1 ZINC000618747738 369208776 /nfs/dbraw/zinc/20/87/76/369208776.db2.gz BIGLSPLOZYGNKA-TVQRCGJNSA-N -1 3 233.267 0.989 20 0 BCADHM CSCCNC(=O)NCc1ncccc1[O-] ZINC000619359212 369323977 /nfs/dbraw/zinc/32/39/77/369323977.db2.gz IWDINQQXCFPLEA-UHFFFAOYSA-N -1 3 241.316 0.949 20 0 BCADHM O=C(NCCN1CCCC1=O)c1cccc([O-])c1 ZINC000405939379 369479931 /nfs/dbraw/zinc/47/99/31/369479931.db2.gz KMFACLNJHMHTNH-UHFFFAOYSA-N -1 3 248.282 0.744 20 0 BCADHM Cc1nnc(CC(=O)Nc2ncccc2[O-])[nH]1 ZINC000622505345 370968380 /nfs/dbraw/zinc/96/83/80/370968380.db2.gz ZLLKLLQKYNMWEE-UHFFFAOYSA-N -1 3 233.231 0.395 20 0 BCADHM C[C@@H](O)C1(NC(=O)c2ccc(O)cc2[O-])CC1 ZINC000620063038 369695909 /nfs/dbraw/zinc/69/59/09/369695909.db2.gz BVLZOWNHTSKZKN-SSDOTTSWSA-N -1 3 237.255 0.741 20 0 BCADHM C[C@@H](O)C1(NC(=O)c2cccc3nn[n-]c32)CC1 ZINC000620063894 369697714 /nfs/dbraw/zinc/69/77/14/369697714.db2.gz UATFKDQVHQMEAA-SSDOTTSWSA-N -1 3 246.270 0.601 20 0 BCADHM C[C@@H](O)C1(NC(=O)c2cccc3[n-]nnc32)CC1 ZINC000620063894 369697717 /nfs/dbraw/zinc/69/77/17/369697717.db2.gz UATFKDQVHQMEAA-SSDOTTSWSA-N -1 3 246.270 0.601 20 0 BCADHM C[C@@H](O)C1(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC000620063894 369697722 /nfs/dbraw/zinc/69/77/22/369697722.db2.gz UATFKDQVHQMEAA-SSDOTTSWSA-N -1 3 246.270 0.601 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C1)c1cccc([O-])c1 ZINC000620866700 370014454 /nfs/dbraw/zinc/01/44/54/370014454.db2.gz WXKKGMGAIPKDSR-CZMCAQCFSA-N -1 3 207.229 0.645 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C1)c1ccc2n[n-]nc2c1 ZINC000620868828 370020184 /nfs/dbraw/zinc/02/01/84/370020184.db2.gz FNNGCCCKIHZZTC-ZKCHVHJHSA-N -1 3 232.243 0.211 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C1)c1csc(=O)[n-]1 ZINC000620875769 370027878 /nfs/dbraw/zinc/02/78/78/370027878.db2.gz IFSGQRLVZUJSST-URHBZAFASA-N -1 3 214.246 0.102 20 0 BCADHM C[C@H](O)[C@@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000620986643 370067821 /nfs/dbraw/zinc/06/78/21/370067821.db2.gz QQIWUWNJGJUBTB-GZMMTYOYSA-N -1 3 246.270 0.657 20 0 BCADHM C[C@H](O)[C@@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000620986643 370067824 /nfs/dbraw/zinc/06/78/24/370067824.db2.gz QQIWUWNJGJUBTB-GZMMTYOYSA-N -1 3 246.270 0.657 20 0 BCADHM C[C@H](O)[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000620986643 370067827 /nfs/dbraw/zinc/06/78/27/370067827.db2.gz QQIWUWNJGJUBTB-GZMMTYOYSA-N -1 3 246.270 0.657 20 0 BCADHM CN1CCC[C@@H](NC(=O)c2cncc([O-])c2)C1 ZINC000111739144 370174156 /nfs/dbraw/zinc/17/41/56/370174156.db2.gz UBBJNMKFMZBIIS-SNVBAGLBSA-N -1 3 235.287 0.611 20 0 BCADHM CN1CCN(C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000621250944 370183661 /nfs/dbraw/zinc/18/36/61/370183661.db2.gz ZEFNLYUUXQBUMD-UHFFFAOYSA-N -1 3 239.250 0.314 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCC(O)CC1 ZINC000621298089 370226261 /nfs/dbraw/zinc/22/62/61/370226261.db2.gz IZJPLHXJHASOJR-UHFFFAOYSA-N -1 3 240.234 0.523 20 0 BCADHM CC1CC(C[N-]S(=O)(=O)c2ccn(C)n2)C1 ZINC000621313108 370238919 /nfs/dbraw/zinc/23/89/19/370238919.db2.gz UUGYKXUEAGNGEW-UHFFFAOYSA-N -1 3 243.332 0.745 20 0 BCADHM CC1CC(C[N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000621313692 370238972 /nfs/dbraw/zinc/23/89/72/370238972.db2.gz UAHUVTNZCWNENO-UHFFFAOYSA-N -1 3 243.332 0.745 20 0 BCADHM CC[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)CCO1 ZINC000623782163 370513510 /nfs/dbraw/zinc/51/35/10/370513510.db2.gz KPFYFOYNSNKJHA-MRVPVSSYSA-N -1 3 237.259 0.433 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCCOCC1 ZINC000621783352 370533583 /nfs/dbraw/zinc/53/35/83/370533583.db2.gz AEHOKYOFAZJGGW-UHFFFAOYSA-N -1 3 240.234 0.789 20 0 BCADHM CC[C@H](CCO)NC(=O)c1cc(F)c[n-]c1=O ZINC000621926485 370603149 /nfs/dbraw/zinc/60/31/49/370603149.db2.gz KLHXBZWPBDIJKS-MRVPVSSYSA-N -1 3 242.250 0.817 20 0 BCADHM O=C(N[C@H]1CCOC1)c1cc(F)c[n-]c1=O ZINC000621929198 370604359 /nfs/dbraw/zinc/60/43/59/370604359.db2.gz GLUBCBQKRQMLSF-ZETCQYMHSA-N -1 3 226.207 0.445 20 0 BCADHM CC1(CNC(=O)c2cc(F)c[n-]c2=O)COC1 ZINC000621866583 370571852 /nfs/dbraw/zinc/57/18/52/370571852.db2.gz BDBUHPGLQKASNJ-UHFFFAOYSA-N -1 3 240.234 0.693 20 0 BCADHM O=C(NCCCCO)c1cc(F)c[n-]c1=O ZINC000621976669 370632762 /nfs/dbraw/zinc/63/27/62/370632762.db2.gz FEJVYIVCXYEGRW-UHFFFAOYSA-N -1 3 228.223 0.429 20 0 BCADHM Cc1cn(C)nc1C(=O)NCc1ncccc1[O-] ZINC000622570608 371000624 /nfs/dbraw/zinc/00/06/24/371000624.db2.gz JTYUKZVTDBHCAL-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM C[C@H](CO)N(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621937152 370608609 /nfs/dbraw/zinc/60/86/09/370608609.db2.gz WTRXWJOKIGBVLJ-ZCFIWIBFSA-N -1 3 228.223 0.379 20 0 BCADHM C[C@H]1CN(C(=O)c2cc(F)c[n-]c2=O)C[C@@H]1O ZINC000621940025 370610935 /nfs/dbraw/zinc/61/09/35/370610935.db2.gz YVHHBAUZTCCZKI-RCOVLWMOSA-N -1 3 240.234 0.379 20 0 BCADHM C[C@H](O)CN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621943168 370612553 /nfs/dbraw/zinc/61/25/53/370612553.db2.gz UDIKECJPXDUDDF-LURJTMIESA-N -1 3 228.223 0.379 20 0 BCADHM C(Cc1nnn[n-]1)SC1CCOCC1 ZINC000095106766 371251562 /nfs/dbraw/zinc/25/15/62/371251562.db2.gz VJYYDFXCGNVTNV-UHFFFAOYSA-N -1 3 214.294 0.654 20 0 BCADHM C(Cc1nn[n-]n1)SC1CCOCC1 ZINC000095106766 371251569 /nfs/dbraw/zinc/25/15/69/371251569.db2.gz VJYYDFXCGNVTNV-UHFFFAOYSA-N -1 3 214.294 0.654 20 0 BCADHM O=C(NCC1CCC1)c1cc(=O)[n-]cn1 ZINC000624022208 371255285 /nfs/dbraw/zinc/25/52/85/371255285.db2.gz FVGHWEXCPSQXAM-UHFFFAOYSA-N -1 3 207.233 0.712 20 0 BCADHM CC[C@H]1CCN1C(=O)c1cc(=O)[n-]cn1 ZINC000627508951 371669062 /nfs/dbraw/zinc/66/90/62/371669062.db2.gz DYWWJGRHQVQDIC-ZETCQYMHSA-N -1 3 207.233 0.807 20 0 BCADHM C[C@H]1COCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000627569909 371719320 /nfs/dbraw/zinc/71/93/20/371719320.db2.gz NSCMPUPAGTVSOR-ZETCQYMHSA-N -1 3 223.232 0.043 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCCn1cnnc1 ZINC000627573225 371722881 /nfs/dbraw/zinc/72/28/81/371722881.db2.gz RGFXMMCAZVFPMH-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM C[C@@H](F)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000627535467 371688582 /nfs/dbraw/zinc/68/85/82/371688582.db2.gz NWCIWIXJMIYKRS-ZCFIWIBFSA-N -1 3 213.212 0.660 20 0 BCADHM C[C@@H](CCCO)CNC(=O)c1cc(=O)[n-]cn1 ZINC000627578942 371747441 /nfs/dbraw/zinc/74/74/41/371747441.db2.gz QZFQPKNHWCTZMX-QMMMGPOBSA-N -1 3 239.275 0.321 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@H]1C1CC1 ZINC000627589626 371764440 /nfs/dbraw/zinc/76/44/40/371764440.db2.gz VEUPYNXSLCIQCB-VIFPVBQESA-N -1 3 219.244 0.807 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@H]1C1CC1 ZINC000627589625 371764552 /nfs/dbraw/zinc/76/45/52/371764552.db2.gz VEUPYNXSLCIQCB-SECBINFHSA-N -1 3 219.244 0.807 20 0 BCADHM Cc1cc(C(=O)NC[C@@H]2CCC(=O)N2)ccc1[O-] ZINC000227028585 371769595 /nfs/dbraw/zinc/76/95/95/371769595.db2.gz VLBWMGAREWYKFU-JTQLQIEISA-N -1 3 248.282 0.709 20 0 BCADHM C[C@@H](N(C)C(=O)c1cc(=O)[n-]cn1)C(C)(C)O ZINC000627601772 371772454 /nfs/dbraw/zinc/77/24/54/371772454.db2.gz QUKOGMPXQQTJBT-SSDOTTSWSA-N -1 3 239.275 0.414 20 0 BCADHM C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)[C@@H]1C(=O)[O-] ZINC000573220595 326436584 /nfs/dbraw/zinc/43/65/84/326436584.db2.gz GTNLYZSNWVBEFS-HXFLIBJXSA-N -1 3 226.276 0.045 20 0 BCADHM CC(C)(NC(=O)c1cc(=O)[n-]cn1)c1ncc[nH]1 ZINC000627656926 371815292 /nfs/dbraw/zinc/81/52/92/371815292.db2.gz FGUBHRZAFWRZJF-UHFFFAOYSA-N -1 3 247.258 0.570 20 0 BCADHM O=C(NC[C@@H](O)C1CCC1)c1cc(=O)[n-]cn1 ZINC000627687165 371844197 /nfs/dbraw/zinc/84/41/97/371844197.db2.gz WYULYGQINYQWFX-SECBINFHSA-N -1 3 237.259 0.073 20 0 BCADHM C[C@@H]1CC[C@H](CNC(=O)c2cc(=O)[n-]cn2)O1 ZINC000627713383 371876975 /nfs/dbraw/zinc/87/69/75/371876975.db2.gz QCCOWWRNSSGWGL-HTQZYQBOSA-N -1 3 237.259 0.480 20 0 BCADHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)c1ccn(C)n1 ZINC000627724799 371897382 /nfs/dbraw/zinc/89/73/82/371897382.db2.gz HSXZIBWZFPKJRB-ZETCQYMHSA-N -1 3 247.258 0.407 20 0 BCADHM COCCC1CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000627728387 371917870 /nfs/dbraw/zinc/91/78/70/371917870.db2.gz HZJYFECREQAJQV-UHFFFAOYSA-N -1 3 237.259 0.291 20 0 BCADHM COCCCCN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000627780719 371973722 /nfs/dbraw/zinc/97/37/22/371973722.db2.gz YTYWCAMSFWLIPY-UHFFFAOYSA-N -1 3 239.275 0.681 20 0 BCADHM C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc(=O)[n-]cn1 ZINC000627793619 371982896 /nfs/dbraw/zinc/98/28/96/371982896.db2.gz HSDWDVSZVMEZJB-HTQZYQBOSA-N -1 3 237.259 0.168 20 0 BCADHM CC(=O)N[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000228273331 372010754 /nfs/dbraw/zinc/01/07/54/372010754.db2.gz LPXQBXOWKHVQKA-NSHDSACASA-N -1 3 248.282 0.743 20 0 BCADHM CC[C@@H](C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631635893 372473392 /nfs/dbraw/zinc/47/33/92/372473392.db2.gz TYLFEJNOSRIZSP-RXMQYKEDSA-N -1 3 236.318 0.926 20 0 BCADHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)Nc1ccccc1 ZINC000046468983 181924863 /nfs/dbraw/zinc/92/48/63/181924863.db2.gz AOODRYXTJBPWQH-VIFPVBQESA-N -1 3 247.254 0.613 20 0 BCADHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1nncn1C ZINC000631794774 372579543 /nfs/dbraw/zinc/57/95/43/372579543.db2.gz XBODOKWZPUNSLJ-YUMQZZPRSA-N -1 3 246.336 0.528 20 0 BCADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631746086 372546749 /nfs/dbraw/zinc/54/67/49/372546749.db2.gz BOJTXQGBYUMQDZ-PHDIDXHHSA-N -1 3 248.329 0.783 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H](C)C(C)(C)O ZINC000632006188 372721511 /nfs/dbraw/zinc/72/15/11/372721511.db2.gz RFKIFWMDJUULCC-ZETCQYMHSA-N -1 3 248.304 0.421 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000631988758 372715107 /nfs/dbraw/zinc/71/51/07/372715107.db2.gz JRKFSMHHZAEMAS-QMMMGPOBSA-N -1 3 242.304 0.202 20 0 BCADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632317516 372878986 /nfs/dbraw/zinc/87/89/86/372878986.db2.gz WSXUVUURSIGIMS-RFZPGFLSSA-N -1 3 234.302 0.535 20 0 BCADHM CC[C@@H](C[N-]S(=O)(=O)c1conc1C)OC ZINC000632349056 372893151 /nfs/dbraw/zinc/89/31/51/372893151.db2.gz PXEYIMKIFBFKSF-QMMMGPOBSA-N -1 3 248.304 0.686 20 0 BCADHM CC[C@H](O)C[N-]S(=O)(=O)c1conc1C ZINC000632361433 372900649 /nfs/dbraw/zinc/90/06/49/372900649.db2.gz ZQHPBVUCBKMWSO-ZETCQYMHSA-N -1 3 234.277 0.032 20 0 BCADHM CC(C)C1([N-]S(=O)(=O)c2nncn2C)CC1 ZINC000632371562 372904878 /nfs/dbraw/zinc/90/48/78/372904878.db2.gz HSHRJFSBRFVXGX-UHFFFAOYSA-N -1 3 244.320 0.282 20 0 BCADHM O=C(C[C@H]1CCCO1)NCc1ncccc1[O-] ZINC000352516303 182029168 /nfs/dbraw/zinc/02/91/68/182029168.db2.gz KZPXGHFUGWGBTK-SECBINFHSA-N -1 3 236.271 0.973 20 0 BCADHM CC[C@@H](CS(=O)(=O)[N-]Cc1cocn1)OC ZINC000632542587 372998162 /nfs/dbraw/zinc/99/81/62/372998162.db2.gz CMDVCYGGNJELIG-VIFPVBQESA-N -1 3 248.304 0.519 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C1([C@@H](C)O)CC1 ZINC000632569236 373010152 /nfs/dbraw/zinc/01/01/52/373010152.db2.gz DLKVIJBVDSHBIB-SSDOTTSWSA-N -1 3 246.288 0.175 20 0 BCADHM C/C=C\C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000632599238 373026332 /nfs/dbraw/zinc/02/63/32/373026332.db2.gz MLOCMXMARMTINR-IHWYPQMZSA-N -1 3 234.302 0.703 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000333964497 182085146 /nfs/dbraw/zinc/08/51/46/182085146.db2.gz PBZGKZAYKDEKNR-XLDPMVHQSA-N -1 3 234.255 0.715 20 0 BCADHM O=C(NCc1cc[nH]n1)c1ccc2n[n-]nc2c1 ZINC000040444877 373266970 /nfs/dbraw/zinc/26/69/70/373266970.db2.gz LNCDZYQDQUXIDU-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM O=C(CNC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000180793049 182120970 /nfs/dbraw/zinc/12/09/70/182120970.db2.gz ISALCDLBXHNNCT-UHFFFAOYSA-N -1 3 235.239 0.807 20 0 BCADHM O=C(CNC(=O)c1ccc2n[n-]nc2c1)C1CC1 ZINC000180813926 182121014 /nfs/dbraw/zinc/12/10/14/182121014.db2.gz BIKWJRVGTVAOSY-UHFFFAOYSA-N -1 3 244.254 0.667 20 0 BCADHM O=C(NCC1(CCO)CCC1)c1c[n-]nn1 ZINC000121744078 182129806 /nfs/dbraw/zinc/12/98/06/182129806.db2.gz NFHHAABZSDOYES-UHFFFAOYSA-N -1 3 224.264 0.087 20 0 BCADHM O=C(NCC1(CCO)CCC1)c1cnn[n-]1 ZINC000121744078 182129807 /nfs/dbraw/zinc/12/98/07/182129807.db2.gz NFHHAABZSDOYES-UHFFFAOYSA-N -1 3 224.264 0.087 20 0 BCADHM O=C(NCC1(CCO)CCC1)c1cn[n-]n1 ZINC000121744078 182129808 /nfs/dbraw/zinc/12/98/08/182129808.db2.gz NFHHAABZSDOYES-UHFFFAOYSA-N -1 3 224.264 0.087 20 0 BCADHM CCCCC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521598 373583402 /nfs/dbraw/zinc/58/34/02/373583402.db2.gz MKYNEHAPXGBXQE-UHFFFAOYSA-N -1 3 225.248 0.694 20 0 BCADHM CC(C)CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521495 373583800 /nfs/dbraw/zinc/58/38/00/373583800.db2.gz LQJPCOOUNNPWIL-UHFFFAOYSA-N -1 3 225.248 0.550 20 0 BCADHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)[C@H]1CC=CCC1 ZINC000633522436 373583856 /nfs/dbraw/zinc/58/38/56/373583856.db2.gz UYJYGBYZNRRIHB-QMMMGPOBSA-N -1 3 249.270 0.860 20 0 BCADHM O=C(NCCC1(F)CCC1)c1c[n-]nn1 ZINC000359786671 182149906 /nfs/dbraw/zinc/14/99/06/182149906.db2.gz FUGHRKODHXVQLG-UHFFFAOYSA-N -1 3 212.228 0.817 20 0 BCADHM O=C(NCCC1(F)CCC1)c1cnn[n-]1 ZINC000359786671 182149909 /nfs/dbraw/zinc/14/99/09/182149909.db2.gz FUGHRKODHXVQLG-UHFFFAOYSA-N -1 3 212.228 0.817 20 0 BCADHM O=C(NCCC1(F)CCC1)c1cn[n-]n1 ZINC000359786671 182149910 /nfs/dbraw/zinc/14/99/10/182149910.db2.gz FUGHRKODHXVQLG-UHFFFAOYSA-N -1 3 212.228 0.817 20 0 BCADHM O=C(NCCCO)NCc1ccc([O-])c(F)c1 ZINC000265822473 182169126 /nfs/dbraw/zinc/16/91/26/182169126.db2.gz QUBVIPLUVDZARC-UHFFFAOYSA-N -1 3 242.250 0.713 20 0 BCADHM O=C(NCCC[C@@H]1CCCCO1)c1c[n-]nn1 ZINC000186694345 182173362 /nfs/dbraw/zinc/17/33/62/182173362.db2.gz DOLCMYMKJBLTQM-VIFPVBQESA-N -1 3 238.291 0.884 20 0 BCADHM O=C(NCCC[C@@H]1CCCCO1)c1cnn[n-]1 ZINC000186694345 182173364 /nfs/dbraw/zinc/17/33/64/182173364.db2.gz DOLCMYMKJBLTQM-VIFPVBQESA-N -1 3 238.291 0.884 20 0 BCADHM O=C(NCCC[C@@H]1CCCCO1)c1cn[n-]n1 ZINC000186694345 182173365 /nfs/dbraw/zinc/17/33/65/182173365.db2.gz DOLCMYMKJBLTQM-VIFPVBQESA-N -1 3 238.291 0.884 20 0 BCADHM O=C(NCCOC1CCCCC1)c1c[n-]nn1 ZINC000108461375 182195385 /nfs/dbraw/zinc/19/53/85/182195385.db2.gz KPRZMJIGXVZVDC-UHFFFAOYSA-N -1 3 238.291 0.884 20 0 BCADHM O=C(NCCOC1CCCCC1)c1cnn[n-]1 ZINC000108461375 182195386 /nfs/dbraw/zinc/19/53/86/182195386.db2.gz KPRZMJIGXVZVDC-UHFFFAOYSA-N -1 3 238.291 0.884 20 0 BCADHM O=C(NCCOC1CCCCC1)c1cn[n-]n1 ZINC000108461375 182195388 /nfs/dbraw/zinc/19/53/88/182195388.db2.gz KPRZMJIGXVZVDC-UHFFFAOYSA-N -1 3 238.291 0.884 20 0 BCADHM O=C(NCCNC(=O)C1CC1)c1ccc([O-])cc1 ZINC000041980379 182187474 /nfs/dbraw/zinc/18/74/74/182187474.db2.gz ZKJQZWFTVZVZBW-UHFFFAOYSA-N -1 3 248.282 0.648 20 0 BCADHM COc1ccc([O-])c(C(=O)NC2(C)COC2)c1 ZINC000634187002 373994806 /nfs/dbraw/zinc/99/48/06/373994806.db2.gz PZSXHCFFGOIQJO-UHFFFAOYSA-N -1 3 237.255 0.920 20 0 BCADHM O=C(NC[C@@H](O)C1CC1)c1cccc([O-])c1 ZINC000070879696 182220413 /nfs/dbraw/zinc/22/04/13/182220413.db2.gz VUKSVHJYYBODMH-LLVKDONJSA-N -1 3 221.256 0.893 20 0 BCADHM O=C(NC[C@H](O)C1CC1)c1cccc([O-])c1 ZINC000070879695 182232768 /nfs/dbraw/zinc/23/27/68/182232768.db2.gz VUKSVHJYYBODMH-NSHDSACASA-N -1 3 221.256 0.893 20 0 BCADHM O=C(NC[C@H](O)C1CC1)c1c([O-])cccc1O ZINC000220256728 182232953 /nfs/dbraw/zinc/23/29/53/182232953.db2.gz IZSQOYPXRJGHFR-JTQLQIEISA-N -1 3 237.255 0.599 20 0 BCADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948965 374100895 /nfs/dbraw/zinc/10/08/95/374100895.db2.gz GNTBZIUAWYFZNU-PHDIDXHHSA-N -1 3 201.251 0.096 20 0 BCADHM Cc1nc(C2([N-]S(C)(=O)=O)CCCC2)no1 ZINC000041628897 374168319 /nfs/dbraw/zinc/16/83/19/374168319.db2.gz AGSBHSZZCNQUQT-UHFFFAOYSA-N -1 3 245.304 0.697 20 0 BCADHM O=C(NC[C@H]1CCCC[C@@H]1O)c1c[n-]nn1 ZINC000083119427 182236719 /nfs/dbraw/zinc/23/67/19/182236719.db2.gz ISWKVAONMCJDHO-APPZFPTMSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@H]1CCCC[C@@H]1O)c1cnn[n-]1 ZINC000083119427 182236721 /nfs/dbraw/zinc/23/67/21/182236721.db2.gz ISWKVAONMCJDHO-APPZFPTMSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@H]1CCCC[C@@H]1O)c1cn[n-]n1 ZINC000083119427 182236722 /nfs/dbraw/zinc/23/67/22/182236722.db2.gz ISWKVAONMCJDHO-APPZFPTMSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@@H]1[C@H]2COC[C@H]21)c1ccc(O)cc1[O-] ZINC000376419466 182248234 /nfs/dbraw/zinc/24/82/34/182248234.db2.gz FTCTZBNNWDGTMF-RTCCRHLQSA-N -1 3 249.266 0.720 20 0 BCADHM O=C(NCc1ncccc1O)c1cncc([O-])c1 ZINC000355435666 182273537 /nfs/dbraw/zinc/27/35/37/182273537.db2.gz OCDCZFZVDFCHRS-UHFFFAOYSA-N -1 3 245.238 0.818 20 0 BCADHM Cc1noc(NC(=O)c2ccc3n[n-]nc3c2)n1 ZINC000042762622 374287830 /nfs/dbraw/zinc/28/78/30/374287830.db2.gz VJBOXASSHGRSAR-UHFFFAOYSA-N -1 3 244.214 0.902 20 0 BCADHM O=C(NCc1cn2ccsc2n1)c1nc[n-]n1 ZINC000358565467 182268788 /nfs/dbraw/zinc/26/87/88/182268788.db2.gz ZGUIEMBVPOIQKW-UHFFFAOYSA-N -1 3 248.271 0.444 20 0 BCADHM O=C([N-]N1CCCNC1=O)c1ccc(F)nc1 ZINC000273137538 182278350 /nfs/dbraw/zinc/27/83/50/182278350.db2.gz WBDYYYLDAJSHNA-UHFFFAOYSA-N -1 3 238.222 0.281 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)c1ccncc1F ZINC000276347207 182283738 /nfs/dbraw/zinc/28/37/38/182283738.db2.gz HXQFNAMDBBHNTP-MRVPVSSYSA-N -1 3 240.234 0.919 20 0 BCADHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1c[n-]nn1 ZINC000230181633 182292058 /nfs/dbraw/zinc/29/20/58/182292058.db2.gz RQIVJQGKYQULAC-HTQZYQBOSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1cnn[n-]1 ZINC000230181633 182292060 /nfs/dbraw/zinc/29/20/60/182292060.db2.gz RQIVJQGKYQULAC-HTQZYQBOSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1cn[n-]n1 ZINC000230181633 182292062 /nfs/dbraw/zinc/29/20/62/182292062.db2.gz RQIVJQGKYQULAC-HTQZYQBOSA-N -1 3 224.264 0.086 20 0 BCADHM CCc1ccnc(CNC(=O)c2c[n-]nn2)c1 ZINC000437750990 206071844 /nfs/dbraw/zinc/07/18/44/206071844.db2.gz VGUGIBYCWLOKLC-UHFFFAOYSA-N -1 3 231.259 0.692 20 0 BCADHM CCc1ccnc(CNC(=O)c2cnn[n-]2)c1 ZINC000437750990 206071848 /nfs/dbraw/zinc/07/18/48/206071848.db2.gz VGUGIBYCWLOKLC-UHFFFAOYSA-N -1 3 231.259 0.692 20 0 BCADHM CCc1ccnc(CNC(=O)c2cn[n-]n2)c1 ZINC000437750990 206071851 /nfs/dbraw/zinc/07/18/51/206071851.db2.gz VGUGIBYCWLOKLC-UHFFFAOYSA-N -1 3 231.259 0.692 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1O)c1ccc2n[n-]nc2c1 ZINC000133121151 182300113 /nfs/dbraw/zinc/30/01/13/182300113.db2.gz KBYNRKMWLYAIGG-MWLCHTKSSA-N -1 3 246.270 0.601 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]2OCC[C@@H]21)c1c[n-]nn1 ZINC000126520025 182332819 /nfs/dbraw/zinc/33/28/19/182332819.db2.gz LYPJQVIUNBSBQY-WEDXCCLWSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]2OCC[C@@H]21)c1cnn[n-]1 ZINC000126520025 182332821 /nfs/dbraw/zinc/33/28/21/182332821.db2.gz LYPJQVIUNBSBQY-WEDXCCLWSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]2OCC[C@@H]21)c1cn[n-]n1 ZINC000126520025 182332823 /nfs/dbraw/zinc/33/28/23/182332823.db2.gz LYPJQVIUNBSBQY-WEDXCCLWSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1c[n-]nn1 ZINC000185057034 182337005 /nfs/dbraw/zinc/33/70/05/182337005.db2.gz UEYLVHHVLNNTHV-WCBMZHEXSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cnn[n-]1 ZINC000185057034 182337007 /nfs/dbraw/zinc/33/70/07/182337007.db2.gz UEYLVHHVLNNTHV-WCBMZHEXSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cn[n-]n1 ZINC000185057034 182337010 /nfs/dbraw/zinc/33/70/10/182337010.db2.gz UEYLVHHVLNNTHV-WCBMZHEXSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(NCCc1ncc[nH]1)c1ccc(O)cc1[O-] ZINC000166975940 206141205 /nfs/dbraw/zinc/14/12/05/206141205.db2.gz SVHWOXXTAPYDQW-UHFFFAOYSA-N -1 3 247.254 0.793 20 0 BCADHM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1c[n-]nn1 ZINC000093631651 182345820 /nfs/dbraw/zinc/34/58/20/182345820.db2.gz JSXHUCDVFOXGQP-QWRGUYRKSA-N -1 3 244.254 0.193 20 0 BCADHM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cnn[n-]1 ZINC000093631651 182345823 /nfs/dbraw/zinc/34/58/23/182345823.db2.gz JSXHUCDVFOXGQP-QWRGUYRKSA-N -1 3 244.254 0.193 20 0 BCADHM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cn[n-]n1 ZINC000093631651 182345826 /nfs/dbraw/zinc/34/58/26/182345826.db2.gz JSXHUCDVFOXGQP-QWRGUYRKSA-N -1 3 244.254 0.193 20 0 BCADHM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1c[n-]nn1 ZINC000093631652 182345890 /nfs/dbraw/zinc/34/58/90/182345890.db2.gz JSXHUCDVFOXGQP-MNOVXSKESA-N -1 3 244.254 0.193 20 0 BCADHM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cnn[n-]1 ZINC000093631652 182345891 /nfs/dbraw/zinc/34/58/91/182345891.db2.gz JSXHUCDVFOXGQP-MNOVXSKESA-N -1 3 244.254 0.193 20 0 BCADHM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cn[n-]n1 ZINC000093631652 182345892 /nfs/dbraw/zinc/34/58/92/182345892.db2.gz JSXHUCDVFOXGQP-MNOVXSKESA-N -1 3 244.254 0.193 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1nccn2ccnc12 ZINC000339005895 182399829 /nfs/dbraw/zinc/39/98/29/182399829.db2.gz GKEJJFDRRJQKAC-UHFFFAOYSA-N -1 3 229.203 0.100 20 0 BCADHM CCNC(=O)[C@@H](C)[N-]C(=O)C(C)(Cl)Cl ZINC000271949351 170086595 /nfs/dbraw/zinc/08/65/95/170086595.db2.gz OFESMEIHDNJTFK-RXMQYKEDSA-N -1 3 241.118 0.821 20 0 BCADHM O=C([O-])CCN1CCN(Cc2ccncc2)CC1 ZINC000035687335 182444569 /nfs/dbraw/zinc/44/45/69/182444569.db2.gz QRLQYCQSVILPBV-UHFFFAOYSA-N -1 3 249.314 0.674 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358431356 170226700 /nfs/dbraw/zinc/22/67/00/170226700.db2.gz VFJKGRJOJHHUFZ-UHFFFAOYSA-N -1 3 247.272 0.429 20 0 BCADHM O=S(=O)([N-][C@H]1[C@@H]2COC[C@@H]21)c1cccs1 ZINC000330057510 182900393 /nfs/dbraw/zinc/90/03/93/182900393.db2.gz XPCLWQABJJMJGL-QMSLJYSESA-N -1 3 245.325 0.671 20 0 BCADHM O=c1nc(CSC[C@@H]2CCCO2)[nH][n-]1 ZINC000276878614 183009850 /nfs/dbraw/zinc/00/98/50/183009850.db2.gz INMXIRVARRIRDM-LURJTMIESA-N -1 3 215.278 0.510 20 0 BCADHM O=c1nc([C@H]2CCCN(Cc3ncc[nH]3)C2)[nH][n-]1 ZINC000289420211 183009955 /nfs/dbraw/zinc/00/99/55/183009955.db2.gz MQOKHYKGZUEFQI-QMMMGPOBSA-N -1 3 248.290 0.201 20 0 BCADHM CCCC[C@H](COC)NC(=O)c1c[n-]nn1 ZINC000119665523 169003103 /nfs/dbraw/zinc/00/31/03/169003103.db2.gz SVEGGBQJMBETKF-MRVPVSSYSA-N -1 3 226.280 0.740 20 0 BCADHM CCCC[C@H](COC)NC(=O)c1cnn[n-]1 ZINC000119665523 169003105 /nfs/dbraw/zinc/00/31/05/169003105.db2.gz SVEGGBQJMBETKF-MRVPVSSYSA-N -1 3 226.280 0.740 20 0 BCADHM CCCC[C@H](COC)NC(=O)c1cn[n-]n1 ZINC000119665523 169003106 /nfs/dbraw/zinc/00/31/06/169003106.db2.gz SVEGGBQJMBETKF-MRVPVSSYSA-N -1 3 226.280 0.740 20 0 BCADHM CCCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)[O-] ZINC000002561141 169010274 /nfs/dbraw/zinc/01/02/74/169010274.db2.gz OYERYTXFSRFVON-IUCAKERBSA-N -1 3 230.308 0.729 20 0 BCADHM [O-]c1cc(F)cc(CN[C@]2(CO)CCOC2)c1 ZINC000185626847 183134380 /nfs/dbraw/zinc/13/43/80/183134380.db2.gz ONRVIGZEIJCASR-LBPRGKRZSA-N -1 3 241.262 0.772 20 0 BCADHM CCCN(C)S(=O)(=O)[N-]c1cnn(C)c1 ZINC000268793797 169085215 /nfs/dbraw/zinc/08/52/15/169085215.db2.gz VTURYJDYMTUQKP-UHFFFAOYSA-N -1 3 232.309 0.419 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)C1(N)CCCCC1 ZINC000044624758 169095935 /nfs/dbraw/zinc/09/59/35/169095935.db2.gz RNEUXVBYXRYZMN-UHFFFAOYSA-N -1 3 242.319 0.971 20 0 BCADHM CCCN(CC(N)=O)C(=O)c1cccc([O-])c1 ZINC000310430409 169109526 /nfs/dbraw/zinc/10/95/26/169109526.db2.gz QBTUEEDQDBHTOJ-UHFFFAOYSA-N -1 3 236.271 0.730 20 0 BCADHM O=c1[n-]c(CN2CC[C@H](C3CC3)C2)n[nH]1 ZINC000329289665 183306543 /nfs/dbraw/zinc/30/65/43/183306543.db2.gz MZFZXECLLSDESX-QMMMGPOBSA-N -1 3 208.265 0.742 20 0 BCADHM c1cc(-c2nnn[n-]2)ccc1CN1CCOCC1 ZINC000000419922 183332458 /nfs/dbraw/zinc/33/24/58/183332458.db2.gz OQYSVAOEWAVCGQ-UHFFFAOYSA-N -1 3 245.286 0.699 20 0 BCADHM c1cc(-c2nn[n-]n2)ccc1CN1CCOCC1 ZINC000000419922 183332459 /nfs/dbraw/zinc/33/24/59/183332459.db2.gz OQYSVAOEWAVCGQ-UHFFFAOYSA-N -1 3 245.286 0.699 20 0 BCADHM O=c1[n-]c(CN2CC[C@H]([C@H]3CCOC3)C2)n[nH]1 ZINC000340911523 183307455 /nfs/dbraw/zinc/30/74/55/183307455.db2.gz IHWNHVCWDCLRRR-IUCAKERBSA-N -1 3 238.291 0.369 20 0 BCADHM c1[n-][nH]c2ncnc(=NCCc3ccncc3)c1-2 ZINC000337414769 183338685 /nfs/dbraw/zinc/33/86/85/183338685.db2.gz YIKXLAMTKJARPO-UHFFFAOYSA-N -1 3 240.270 0.776 20 0 BCADHM CCCNC(=O)CSc1n[n-]c(COC)n1 ZINC000353824342 169232222 /nfs/dbraw/zinc/23/22/22/169232222.db2.gz BEVJOISMFDFVFY-UHFFFAOYSA-N -1 3 244.320 0.569 20 0 BCADHM CCCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000059664667 169252245 /nfs/dbraw/zinc/25/22/45/169252245.db2.gz ABSAAYHFYCSEPB-UHFFFAOYSA-N -1 3 232.239 0.710 20 0 BCADHM CC[C@@H](CO)NC(=O)c1cc(OC)ccc1[O-] ZINC000035205361 383841236 /nfs/dbraw/zinc/84/12/36/383841236.db2.gz NWJURSMNRITSLP-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM CCC(CC)[C@@H](O)CNC(=O)c1c[n-]nn1 ZINC000111655429 383872948 /nfs/dbraw/zinc/87/29/48/383872948.db2.gz XUZUODGKRYUSQN-VIFPVBQESA-N -1 3 226.280 0.332 20 0 BCADHM CCC(CC)[C@@H](O)CNC(=O)c1cnn[n-]1 ZINC000111655429 383872954 /nfs/dbraw/zinc/87/29/54/383872954.db2.gz XUZUODGKRYUSQN-VIFPVBQESA-N -1 3 226.280 0.332 20 0 BCADHM CCC(CC)[C@@H](O)CNC(=O)c1cn[n-]n1 ZINC000111655429 383872961 /nfs/dbraw/zinc/87/29/61/383872961.db2.gz XUZUODGKRYUSQN-VIFPVBQESA-N -1 3 226.280 0.332 20 0 BCADHM CC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000084847125 383877413 /nfs/dbraw/zinc/87/74/13/383877413.db2.gz DXFPAXFDJNJYBQ-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2ccc3n[n-]nc3c2)CO1 ZINC000566283979 383927314 /nfs/dbraw/zinc/92/73/14/383927314.db2.gz MWXMCZFJWSKZJQ-CBAPKCEASA-N -1 3 246.270 0.865 20 0 BCADHM CCCCS(=O)(=O)[N-][C@@H](CC)C(=O)OC ZINC000071557404 383996608 /nfs/dbraw/zinc/99/66/08/383996608.db2.gz VFIXNFOMAZWTPY-QMMMGPOBSA-N -1 3 237.321 0.658 20 0 BCADHM CC(=O)[C@@H](C)CCCCC(=O)[N-]OCC(N)=O ZINC000089463653 383970895 /nfs/dbraw/zinc/97/08/95/383970895.db2.gz QTFKMHJKXZKRIP-QMMMGPOBSA-N -1 3 244.291 0.305 20 0 BCADHM CC[C@H](NC(=O)CN(CC)CC)C(=O)[O-] ZINC000647255239 384020393 /nfs/dbraw/zinc/02/03/93/384020393.db2.gz OHNYVRVJCZTSGK-QMMMGPOBSA-N -1 3 216.281 0.308 20 0 BCADHM O=C(NC[C@H](O)C(F)F)c1cccc([O-])c1 ZINC000227617537 134388833 /nfs/dbraw/zinc/38/88/33/134388833.db2.gz JEAUJEMIGHSFQU-QMMMGPOBSA-N -1 3 231.198 0.748 20 0 BCADHM O=c1[n-]c(=O)n(CC[C@H]2CCCO2)cc1Cl ZINC000091329546 384086036 /nfs/dbraw/zinc/08/60/36/384086036.db2.gz PTVAVVVDPUJUCB-SSDOTTSWSA-N -1 3 244.678 0.759 20 0 BCADHM Cc1ccc(NC(=O)CS(C)(=O)=O)c([O-])c1 ZINC000070190862 384087305 /nfs/dbraw/zinc/08/73/05/384087305.db2.gz DIPFCARBZZSXSU-UHFFFAOYSA-N -1 3 243.284 0.684 20 0 BCADHM Cn1nccc1CNC(=O)c1c([O-])cccc1O ZINC000092107785 384144279 /nfs/dbraw/zinc/14/42/79/384144279.db2.gz CMXCMFPJSJLVJD-UHFFFAOYSA-N -1 3 247.254 0.761 20 0 BCADHM C[C@@H](CO)NC(=O)c1c([O-])cccc1O ZINC000092107844 384145687 /nfs/dbraw/zinc/14/56/87/384145687.db2.gz CRAKTKUGPAYAGZ-LURJTMIESA-N -1 3 211.217 0.208 20 0 BCADHM COCC[C@@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000080692612 384173953 /nfs/dbraw/zinc/17/39/53/384173953.db2.gz FGWCUFMRSPCIKC-SSDOTTSWSA-N -1 3 233.293 0.113 20 0 BCADHM C[C@H](CO)[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000092125290 384164270 /nfs/dbraw/zinc/16/42/70/384164270.db2.gz AJHUOIWTJDJJGO-SFYZADRCSA-N -1 3 239.271 0.845 20 0 BCADHM CCc1cccc(C(=O)NC2=NCC(=O)N2)c1[O-] ZINC000530959232 384179780 /nfs/dbraw/zinc/17/97/80/384179780.db2.gz VJNHIUVBVINRPU-UHFFFAOYSA-N -1 3 247.254 0.170 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CC(C)C)c1 ZINC000081685074 384196988 /nfs/dbraw/zinc/19/69/88/384196988.db2.gz FPMSSKNOGSCHCS-UHFFFAOYSA-N -1 3 231.321 0.837 20 0 BCADHM Cc1cc(CNC(=O)c2c[n-]nn2)on1 ZINC000082269000 384219806 /nfs/dbraw/zinc/21/98/06/384219806.db2.gz BDERGZSFLROBKO-UHFFFAOYSA-N -1 3 207.193 0.031 20 0 BCADHM Cc1cc(CNC(=O)c2cnn[n-]2)on1 ZINC000082269000 384219813 /nfs/dbraw/zinc/21/98/13/384219813.db2.gz BDERGZSFLROBKO-UHFFFAOYSA-N -1 3 207.193 0.031 20 0 BCADHM Cc1cc(CNC(=O)c2cn[n-]n2)on1 ZINC000082269000 384219818 /nfs/dbraw/zinc/21/98/18/384219818.db2.gz BDERGZSFLROBKO-UHFFFAOYSA-N -1 3 207.193 0.031 20 0 BCADHM COc1cc(C(=O)NC[C@@H](C)O)ccc1[O-] ZINC000082265671 384221085 /nfs/dbraw/zinc/22/10/85/384221085.db2.gz QRZHMKDUNNGRJN-SSDOTTSWSA-N -1 3 225.244 0.511 20 0 BCADHM Cc1ccc([O-])c(CN(CC(N)=O)C(C)C)n1 ZINC000133010007 384265901 /nfs/dbraw/zinc/26/59/01/384265901.db2.gz HRBNNJJYOMHJPC-UHFFFAOYSA-N -1 3 237.303 0.791 20 0 BCADHM CCN(CC(=O)Nc1nn[n-]n1)C1CCCC1 ZINC000560701107 384309693 /nfs/dbraw/zinc/30/96/93/384309693.db2.gz QDIKUMICAJPDMF-UHFFFAOYSA-N -1 3 238.295 0.403 20 0 BCADHM CCN(CC(=O)Nc1nnn[n-]1)C1CCCC1 ZINC000560701107 384309697 /nfs/dbraw/zinc/30/96/97/384309697.db2.gz QDIKUMICAJPDMF-UHFFFAOYSA-N -1 3 238.295 0.403 20 0 BCADHM C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)[O-] ZINC000332421049 384310428 /nfs/dbraw/zinc/31/04/28/384310428.db2.gz SFFCUUVVEMUYCR-BDAKNGLRSA-N -1 3 226.276 0.156 20 0 BCADHM C[C@@H](CO)C[N-]S(=O)(=O)c1cccs1 ZINC000083220188 384287099 /nfs/dbraw/zinc/28/70/99/384287099.db2.gz HSAVTFFDLRRYSC-SSDOTTSWSA-N -1 3 235.330 0.655 20 0 BCADHM C[C@@H](CN1CCCCCC1)NC(=O)C(=O)[O-] ZINC000083883966 384342760 /nfs/dbraw/zinc/34/27/60/384342760.db2.gz BSQISPRMEIMZQP-VIFPVBQESA-N -1 3 228.292 0.452 20 0 BCADHM CCCn1[n-]cc/c1=N\C(=O)CN(CC)CC ZINC000120542965 384362005 /nfs/dbraw/zinc/36/20/05/384362005.db2.gz IEJCYSADZCAABG-SDNWHVSQSA-N -1 3 238.335 0.995 20 0 BCADHM CC[C@@H](CO)[N-]S(=O)(=O)c1cccs1 ZINC000035188456 384404570 /nfs/dbraw/zinc/40/45/70/384404570.db2.gz IRZHFPMGJXXWLM-ZETCQYMHSA-N -1 3 235.330 0.797 20 0 BCADHM O=C([O-])[C@@H]1CCCCN1C[C@H](O)C(F)(F)F ZINC000082681298 384441867 /nfs/dbraw/zinc/44/18/67/384441867.db2.gz ZKQSHZZKCNEVHO-BQBZGAKWSA-N -1 3 241.209 0.849 20 0 BCADHM NC(=O)[C@H]1CC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000561092024 384493148 /nfs/dbraw/zinc/49/31/48/384493148.db2.gz PYPNLUFLSPLOCQ-JGVFFNPUSA-N -1 3 234.255 0.842 20 0 BCADHM COCCCS(=O)(=O)[N-]Cc1ncc(C)o1 ZINC000427271902 384493772 /nfs/dbraw/zinc/49/37/72/384493772.db2.gz BJHYFDWYLJVLLJ-UHFFFAOYSA-N -1 3 248.304 0.439 20 0 BCADHM Cc1noc(C(C)(C)NC(=O)c2c[n-]nn2)n1 ZINC000556835872 384517809 /nfs/dbraw/zinc/51/78/09/384517809.db2.gz ZBQPECWHZGVMGN-UHFFFAOYSA-N -1 3 236.235 0.161 20 0 BCADHM Cc1noc(C(C)(C)NC(=O)c2cnn[n-]2)n1 ZINC000556835872 384517813 /nfs/dbraw/zinc/51/78/13/384517813.db2.gz ZBQPECWHZGVMGN-UHFFFAOYSA-N -1 3 236.235 0.161 20 0 BCADHM Cc1noc(C(C)(C)NC(=O)c2cn[n-]n2)n1 ZINC000556835872 384517815 /nfs/dbraw/zinc/51/78/15/384517815.db2.gz ZBQPECWHZGVMGN-UHFFFAOYSA-N -1 3 236.235 0.161 20 0 BCADHM C[C@H](O)CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000080115649 384532549 /nfs/dbraw/zinc/53/25/49/384532549.db2.gz GDMLUBFHQWCCDB-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM Cc1cc(C(=O)NCCn2ncnn2)ccc1[O-] ZINC000354601185 384559655 /nfs/dbraw/zinc/55/96/55/384559655.db2.gz FZQWUKHGHFMJMH-UHFFFAOYSA-N -1 3 247.258 0.117 20 0 BCADHM CCO[N-]C(=O)/C=C/c1ccnn1CC ZINC000123202294 384538726 /nfs/dbraw/zinc/53/87/26/384538726.db2.gz JNHPDSHYIXPCLR-AATRIKPKSA-N -1 3 209.249 0.984 20 0 BCADHM CCOCCNC(=O)c1ccc(O)cc1[O-] ZINC000172859117 384631337 /nfs/dbraw/zinc/63/13/37/384631337.db2.gz YXSAXXWPFVAPGZ-UHFFFAOYSA-N -1 3 225.244 0.864 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CO[C@@H](C)C2)[n-]1 ZINC000162243226 384594803 /nfs/dbraw/zinc/59/48/03/384594803.db2.gz XLOFZTJYSMTXJS-NTSWFWBYSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@H]2CO[C@@H](C)C2)n[n-]1 ZINC000162243226 384594811 /nfs/dbraw/zinc/59/48/11/384594811.db2.gz XLOFZTJYSMTXJS-NTSWFWBYSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CO[C@@H](C)C2)n1 ZINC000162243226 384594815 /nfs/dbraw/zinc/59/48/15/384594815.db2.gz XLOFZTJYSMTXJS-NTSWFWBYSA-N -1 3 226.236 0.177 20 0 BCADHM CC(C)[C@@H](CO)NC(=O)c1c([O-])cccc1O ZINC000184663217 384634432 /nfs/dbraw/zinc/63/44/32/384634432.db2.gz COGXHLHHUCHLCU-MRVPVSSYSA-N -1 3 239.271 0.845 20 0 BCADHM Cn1nnnc1SCc1ncccc1[O-] ZINC000518062072 384638985 /nfs/dbraw/zinc/63/89/85/384638985.db2.gz ZKORCNDPSDDFGH-UHFFFAOYSA-N -1 3 223.261 0.603 20 0 BCADHM CCCCCN1CCO[C@H](C(=O)[O-])C1 ZINC000043704619 384649621 /nfs/dbraw/zinc/64/96/21/384649621.db2.gz AHKRFBRQUOICMT-VIFPVBQESA-N -1 3 201.266 0.962 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CCOCC1 ZINC000082290821 384658782 /nfs/dbraw/zinc/65/87/82/384658782.db2.gz UCMYUGNUMIYXIB-UHFFFAOYSA-N -1 3 223.228 0.570 20 0 BCADHM COC(=O)[C@@H]([N-]S(=O)(=O)CC1CC1)C(C)C ZINC000086497770 384659862 /nfs/dbraw/zinc/65/98/62/384659862.db2.gz NRMKSYOAJCRJLM-VIFPVBQESA-N -1 3 249.332 0.513 20 0 BCADHM O=C(N[C@@H]1CCC(=O)NC1)c1cccc([O-])c1 ZINC000082282516 384660632 /nfs/dbraw/zinc/66/06/32/384660632.db2.gz JYFWHMJZQJHLDA-SECBINFHSA-N -1 3 234.255 0.401 20 0 BCADHM C[C@H](C(=O)[O-])N1CCN(Cc2cccnc2)CC1 ZINC000051659499 384680128 /nfs/dbraw/zinc/68/01/28/384680128.db2.gz NEDSTVHUQJCOJL-LLVKDONJSA-N -1 3 249.314 0.672 20 0 BCADHM Cc1ccc([O-])c(CNCC(=O)N(C)C)n1 ZINC000082420346 384682953 /nfs/dbraw/zinc/68/29/53/384682953.db2.gz OYIPZBKFMHUTHZ-UHFFFAOYSA-N -1 3 223.276 0.273 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)CCC(C)C ZINC000111658165 384686171 /nfs/dbraw/zinc/68/61/71/384686171.db2.gz HEBCSGMZUVGIMU-QMMMGPOBSA-N -1 3 237.321 0.513 20 0 BCADHM CC[C@@H](C)[C@@H](CNC(=O)c1c[n-]nn1)OC ZINC000294275161 384714485 /nfs/dbraw/zinc/71/44/85/384714485.db2.gz SEIFPNMHENTAIR-VXNVDRBHSA-N -1 3 226.280 0.596 20 0 BCADHM CC[C@@H](C)[C@@H](CNC(=O)c1cnn[n-]1)OC ZINC000294275161 384714489 /nfs/dbraw/zinc/71/44/89/384714489.db2.gz SEIFPNMHENTAIR-VXNVDRBHSA-N -1 3 226.280 0.596 20 0 BCADHM CC[C@@H](C)[C@@H](CNC(=O)c1cn[n-]n1)OC ZINC000294275161 384714497 /nfs/dbraw/zinc/71/44/97/384714497.db2.gz SEIFPNMHENTAIR-VXNVDRBHSA-N -1 3 226.280 0.596 20 0 BCADHM CO[C@H]1COC[C@H]1S(=O)(=O)[N-]CC1(C)CC1 ZINC000644246110 384774966 /nfs/dbraw/zinc/77/49/66/384774966.db2.gz OCLDGWJUUKZTTJ-DTWKUNHWSA-N -1 3 249.332 0.120 20 0 BCADHM CC[C@H](O)CNC(=O)c1cccc(OC)c1[O-] ZINC000126056427 384764966 /nfs/dbraw/zinc/76/49/66/384764966.db2.gz GYAGEKGXZPTVFN-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM Cc1ccc(C(=O)NC(C)(CO)CO)c([O-])c1 ZINC000126035030 384765074 /nfs/dbraw/zinc/76/50/74/384765074.db2.gz MHOXZEKUYBOVHQ-UHFFFAOYSA-N -1 3 239.271 0.174 20 0 BCADHM Cc1ccc(C(=O)NCc2nnn(C)n2)c([O-])c1 ZINC000398216598 384848252 /nfs/dbraw/zinc/84/82/52/384848252.db2.gz MDVWDICWWLQONP-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM Cc1ccc([O-])c(C[NH2+][C@H]2CCC(=O)N(C)C2)n1 ZINC000084225270 384849407 /nfs/dbraw/zinc/84/94/07/384849407.db2.gz HDOMLKRDQVLMSC-JTQLQIEISA-N -1 3 249.314 0.806 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2CCC(=O)N(C)C2)n1 ZINC000084225270 384849413 /nfs/dbraw/zinc/84/94/13/384849413.db2.gz HDOMLKRDQVLMSC-JTQLQIEISA-N -1 3 249.314 0.806 20 0 BCADHM COC[C@](C)(O)C(=O)Nc1cccc([O-])c1F ZINC000536462442 384852272 /nfs/dbraw/zinc/85/22/72/384852272.db2.gz GMZCVOBRSBVBMG-NSHDSACASA-N -1 3 243.234 0.867 20 0 BCADHM Cc1ccc([O-])c(CN[C@H](C)C[S@](C)=O)n1 ZINC000164258897 384949968 /nfs/dbraw/zinc/94/99/68/384949968.db2.gz DMXKZBXDKXRJOS-JDNHERCYSA-N -1 3 242.344 0.952 20 0 BCADHM CC[C@@H](CSC)NC(=O)c1c[n-]nn1 ZINC000162204597 384905805 /nfs/dbraw/zinc/90/58/05/384905805.db2.gz VGNPQOPTYYDWJC-LURJTMIESA-N -1 3 214.294 0.676 20 0 BCADHM CC[C@@H](CSC)NC(=O)c1cnn[n-]1 ZINC000162204597 384905811 /nfs/dbraw/zinc/90/58/11/384905811.db2.gz VGNPQOPTYYDWJC-LURJTMIESA-N -1 3 214.294 0.676 20 0 BCADHM CC[C@@H](CSC)NC(=O)c1cn[n-]n1 ZINC000162204597 384905818 /nfs/dbraw/zinc/90/58/18/384905818.db2.gz VGNPQOPTYYDWJC-LURJTMIESA-N -1 3 214.294 0.676 20 0 BCADHM Cc1nc(NC(=O)c2cncc([O-])c2)n[nH]1 ZINC000086507459 385022331 /nfs/dbraw/zinc/02/23/31/385022331.db2.gz FNYOPUVCWIHZQV-UHFFFAOYSA-N -1 3 219.204 0.466 20 0 BCADHM Cc1nnc(NC(=O)c2cncc([O-])c2)[nH]1 ZINC000086507459 385022339 /nfs/dbraw/zinc/02/23/39/385022339.db2.gz FNYOPUVCWIHZQV-UHFFFAOYSA-N -1 3 219.204 0.466 20 0 BCADHM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188716370 385084275 /nfs/dbraw/zinc/08/42/75/385084275.db2.gz QXCXBPOTEQQEHV-JGVFFNPUSA-N -1 3 233.289 0.575 20 0 BCADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CC[C@H](O)C1 ZINC000646913676 385064471 /nfs/dbraw/zinc/06/44/71/385064471.db2.gz LHPGUBDMPDHNRB-QMMMGPOBSA-N -1 3 247.254 0.475 20 0 BCADHM CC[C@](C)(O)CNC(=O)c1ccc(O)cc1[O-] ZINC000087030873 385066704 /nfs/dbraw/zinc/06/67/04/385066704.db2.gz WRBXHLGKRKWAGU-LBPRGKRZSA-N -1 3 239.271 0.989 20 0 BCADHM COC(=O)CC[N-]S(=O)(=O)c1ccco1 ZINC000188586424 385067808 /nfs/dbraw/zinc/06/78/08/385067808.db2.gz PEBBXWNCVKUZSV-UHFFFAOYSA-N -1 3 233.245 0.121 20 0 BCADHM CC[C@H](COC)[N-]S(=O)(=O)c1ccco1 ZINC000188703540 385078202 /nfs/dbraw/zinc/07/82/02/385078202.db2.gz CJXPKADDZNRWKV-MRVPVSSYSA-N -1 3 233.289 0.983 20 0 BCADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccco1)C(N)=O ZINC000188677644 385079147 /nfs/dbraw/zinc/07/91/47/385079147.db2.gz OKNYPLARRKQJNV-QMMMGPOBSA-N -1 3 246.288 0.068 20 0 BCADHM COC(=O)[C@@H](CC(C)C)NC(=O)c1c[n-]nn1 ZINC000108286546 385027929 /nfs/dbraw/zinc/02/79/29/385027929.db2.gz MSTAPLVYZLPLGH-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM COC(=O)[C@@H](CC(C)C)NC(=O)c1cnn[n-]1 ZINC000108286546 385027934 /nfs/dbraw/zinc/02/79/34/385027934.db2.gz MSTAPLVYZLPLGH-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM COC(=O)[C@@H](CC(C)C)NC(=O)c1cn[n-]n1 ZINC000108286546 385027941 /nfs/dbraw/zinc/02/79/41/385027941.db2.gz MSTAPLVYZLPLGH-SSDOTTSWSA-N -1 3 240.263 0.122 20 0 BCADHM CN1CC[C@@H]2CN(c3ncccc3C(=O)[O-])C[C@@H]21 ZINC000647455796 385038761 /nfs/dbraw/zinc/03/87/61/385038761.db2.gz PMJQLVZUUBZQKE-KOLCDFICSA-N -1 3 247.298 0.920 20 0 BCADHM CCCCNc1nc2nncc-2c(O)[n-]1 ZINC000106461901 385117828 /nfs/dbraw/zinc/11/78/28/385117828.db2.gz KDOWXJARWFYQMM-UHFFFAOYSA-N -1 3 207.237 0.858 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](O)C2)c1 ZINC000061704405 385131928 /nfs/dbraw/zinc/13/19/28/385131928.db2.gz OKPFRGIQZOMLLH-SECBINFHSA-N -1 3 221.256 0.907 20 0 BCADHM CCc1ccc(C(=O)N[C@H](C)C(N)=O)c([O-])c1 ZINC000188803339 385090365 /nfs/dbraw/zinc/09/03/65/385090365.db2.gz CDISEFITNXWDEU-SSDOTTSWSA-N -1 3 236.271 0.558 20 0 BCADHM CSc1nnc(NC(=O)Cc2ccon2)[n-]1 ZINC000530817778 385096651 /nfs/dbraw/zinc/09/66/51/385096651.db2.gz YCNQHOBGYGBFGY-UHFFFAOYSA-N -1 3 239.260 0.696 20 0 BCADHM CSc1n[n-]c(NC(=O)Cc2ccon2)n1 ZINC000530817778 385096660 /nfs/dbraw/zinc/09/66/60/385096660.db2.gz YCNQHOBGYGBFGY-UHFFFAOYSA-N -1 3 239.260 0.696 20 0 BCADHM CSc1nc(NC(=O)Cc2ccon2)n[n-]1 ZINC000530817778 385096666 /nfs/dbraw/zinc/09/66/66/385096666.db2.gz YCNQHOBGYGBFGY-UHFFFAOYSA-N -1 3 239.260 0.696 20 0 BCADHM O=c1[nH]cccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000557826754 385181918 /nfs/dbraw/zinc/18/19/18/385181918.db2.gz DLELPBPNBTZTAU-UHFFFAOYSA-N -1 3 240.244 0.311 20 0 BCADHM CC(=O)[N-]OCc1nc(CC(C)C)no1 ZINC000176860786 385154856 /nfs/dbraw/zinc/15/48/56/385154856.db2.gz TXZADEDGDNXVHE-UHFFFAOYSA-N -1 3 213.237 0.836 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]C1=NCCS1 ZINC000176900926 385157666 /nfs/dbraw/zinc/15/76/66/385157666.db2.gz ZIVZISFEJXPRNV-ZCFIWIBFSA-N -1 3 230.289 0.405 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCN(C)C2=O)c1 ZINC000152402716 385179491 /nfs/dbraw/zinc/17/94/91/385179491.db2.gz MWWYYNZNSJUHMD-SNVBAGLBSA-N -1 3 248.282 0.661 20 0 BCADHM CO[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H](C)C1 ZINC000408426570 385232201 /nfs/dbraw/zinc/23/22/01/385232201.db2.gz UWYACJLGYBPMPM-DTWKUNHWSA-N -1 3 240.307 0.108 20 0 BCADHM CCOc1cnc(C(=O)[N-]c2ncn(C)n2)cn1 ZINC000647078806 385238333 /nfs/dbraw/zinc/23/83/33/385238333.db2.gz VLLPYYFNNFAUPE-UHFFFAOYSA-N -1 3 248.246 0.256 20 0 BCADHM CCCn1cc(C(=O)[N-]c2ncn(C)n2)nn1 ZINC000647080058 385240712 /nfs/dbraw/zinc/24/07/12/385240712.db2.gz PDKINKDEXMMRRH-UHFFFAOYSA-N -1 3 235.251 0.069 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2c[n-]nn2)C1(C)C ZINC000227818649 385243893 /nfs/dbraw/zinc/24/38/93/385243893.db2.gz APJCCAJQBLGPGK-YUMQZZPRSA-N -1 3 224.264 0.348 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2cnn[n-]2)C1(C)C ZINC000227818649 385243898 /nfs/dbraw/zinc/24/38/98/385243898.db2.gz APJCCAJQBLGPGK-YUMQZZPRSA-N -1 3 224.264 0.348 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C1(C)C ZINC000227818649 385243902 /nfs/dbraw/zinc/24/39/02/385243902.db2.gz APJCCAJQBLGPGK-YUMQZZPRSA-N -1 3 224.264 0.348 20 0 BCADHM C[C@H](CCO)[N-]S(=O)(=O)c1cccs1 ZINC000120318562 385307215 /nfs/dbraw/zinc/30/72/15/385307215.db2.gz ZMQZFPOHCDUAGT-SSDOTTSWSA-N -1 3 235.330 0.797 20 0 BCADHM CN(CC(C)(C)C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000131175390 385317389 /nfs/dbraw/zinc/31/73/89/385317389.db2.gz GHQCFQJYOPNEMU-ZETCQYMHSA-N -1 3 241.291 0.089 20 0 BCADHM C[C@](O)(CO)C[N-]c1nnc(C(F)F)o1 ZINC000308905438 385277163 /nfs/dbraw/zinc/27/71/63/385277163.db2.gz DGUMBDJABGUSFZ-SSDOTTSWSA-N -1 3 223.179 0.162 20 0 BCADHM O=C(Nc1ncccc1[O-])c1ccncn1 ZINC000427898645 385343477 /nfs/dbraw/zinc/34/34/77/385343477.db2.gz UKDBPFDSPFNSFD-UHFFFAOYSA-N -1 3 216.200 0.830 20 0 BCADHM CC1(O)CC(C(=O)Nc2ncccc2[O-])C1 ZINC000408455597 385343612 /nfs/dbraw/zinc/34/36/12/385343612.db2.gz YYQDJJCIHCTTFD-UHFFFAOYSA-N -1 3 222.244 0.887 20 0 BCADHM C[C@]1(CNC(=O)c2c[n-]nn2)CCCC[C@H]1O ZINC000178268625 385347708 /nfs/dbraw/zinc/34/77/08/385347708.db2.gz VPIAQRHQECBADM-MWLCHTKSSA-N -1 3 238.291 0.476 20 0 BCADHM C[C@]1(CNC(=O)c2cnn[n-]2)CCCC[C@H]1O ZINC000178268625 385347712 /nfs/dbraw/zinc/34/77/12/385347712.db2.gz VPIAQRHQECBADM-MWLCHTKSSA-N -1 3 238.291 0.476 20 0 BCADHM C[C@]1(CNC(=O)c2cn[n-]n2)CCCC[C@H]1O ZINC000178268625 385347715 /nfs/dbraw/zinc/34/77/15/385347715.db2.gz VPIAQRHQECBADM-MWLCHTKSSA-N -1 3 238.291 0.476 20 0 BCADHM CCCN(Cc1nc(=O)n(C)[n-]1)C(C)C ZINC000518791165 385376658 /nfs/dbraw/zinc/37/66/58/385376658.db2.gz ZEGOVKHAGPCILI-UHFFFAOYSA-N -1 3 212.297 0.729 20 0 BCADHM COC(=O)[C@@H](C)[N-]C(=O)C(C)(Cl)Cl ZINC000180608095 385399682 /nfs/dbraw/zinc/39/96/82/385399682.db2.gz OZKYPGVVBUEFKJ-SCSAIBSYSA-N -1 3 228.075 0.858 20 0 BCADHM Cc1cccc(S(=O)(=O)[N-]C[C@H](C)O)c1F ZINC000181304854 385406565 /nfs/dbraw/zinc/40/65/65/385406565.db2.gz JQFWEGSSCLZUFT-QMMMGPOBSA-N -1 3 247.291 0.793 20 0 BCADHM CC[C@@H](C)CN(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000179165722 385446042 /nfs/dbraw/zinc/44/60/42/385446042.db2.gz PDTGTAWRAYHCOC-SFYZADRCSA-N -1 3 241.291 0.089 20 0 BCADHM C[C@@]([N-]C(=O)C(F)F)(C(N)=O)c1ccccc1 ZINC000194494909 385437866 /nfs/dbraw/zinc/43/78/66/385437866.db2.gz MXLPJMACKKQXFK-NSHDSACASA-N -1 3 242.225 0.768 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)CC(=O)OC)n1 ZINC000179408447 385465710 /nfs/dbraw/zinc/46/57/10/385465710.db2.gz IHHLGEJQBVSLOD-UHFFFAOYSA-N -1 3 239.275 0.349 20 0 BCADHM COC(C)(C)C(=O)[N-]C1=NCCS1 ZINC000170966313 385459276 /nfs/dbraw/zinc/45/92/76/385459276.db2.gz DBEPSBJPGHSEBG-UHFFFAOYSA-N -1 3 202.279 0.630 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]Cc1cc(C)no1 ZINC000195140724 385460883 /nfs/dbraw/zinc/46/08/83/385460883.db2.gz IJHJLHPJHORYIL-QMMMGPOBSA-N -1 3 248.304 0.437 20 0 BCADHM CC(C)C1([N-]S(=O)(=O)c2c[nH]cn2)CC1 ZINC000335668765 385461021 /nfs/dbraw/zinc/46/10/21/385461021.db2.gz RVXHEVTVTCDKLE-UHFFFAOYSA-N -1 3 229.305 0.877 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@@]1(C)CCCO1 ZINC000157218978 385491869 /nfs/dbraw/zinc/49/18/69/385491869.db2.gz CLBMKQLEAUYBDS-SECBINFHSA-N -1 3 210.237 0.323 20 0 BCADHM CCCCCOCC(=O)[N-]c1nncn1C ZINC000157238163 385492544 /nfs/dbraw/zinc/49/25/44/385492544.db2.gz KHIWSUKWHMWFHP-UHFFFAOYSA-N -1 3 226.280 0.960 20 0 BCADHM Oc1[n-]c(N2CCO[C@@H]3C[C@@H]32)nc2nncc1-2 ZINC000644135366 385517308 /nfs/dbraw/zinc/51/73/08/385517308.db2.gz BSRCBHSTOFNDGD-NKWVEPMBSA-N -1 3 233.231 0.036 20 0 BCADHM Cn1cnc(NC(=O)/C=C/c2cncc([O-])c2)n1 ZINC000493133531 385531602 /nfs/dbraw/zinc/53/16/02/385531602.db2.gz SSRRUJJBDMNBMU-NSCUHMNNSA-N -1 3 245.242 0.568 20 0 BCADHM C[C@@]1(O)CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000180858777 385552626 /nfs/dbraw/zinc/55/26/26/385552626.db2.gz UZIBEUDLIBOUNK-GFCCVEGCSA-N -1 3 237.255 0.695 20 0 BCADHM O=C(NCCNC(=O)C1CC1)c1ccccc1[O-] ZINC000041979319 385597468 /nfs/dbraw/zinc/59/74/68/385597468.db2.gz VVIRABKMAIFBNJ-UHFFFAOYSA-N -1 3 248.282 0.648 20 0 BCADHM Cn1cc(C(=O)N2CCCCC2)c(=O)[n-]c1=O ZINC000408162347 385580462 /nfs/dbraw/zinc/58/04/62/385580462.db2.gz VZTKPZRUNIRPKW-UHFFFAOYSA-N -1 3 237.259 0.112 20 0 BCADHM CO[C@@H](C)CSc1nc2n[nH]cc2c(=O)[n-]1 ZINC000181567813 385583994 /nfs/dbraw/zinc/58/39/94/385583994.db2.gz OLZKKZXZOAHBTP-YFKPBYRVSA-N -1 3 240.288 0.773 20 0 BCADHM CC(C)c1nn(C)cc1[N-]S(C)(=O)=O ZINC000280988480 385625611 /nfs/dbraw/zinc/62/56/11/385625611.db2.gz MOMMIQMCKDWMHW-UHFFFAOYSA-N -1 3 217.294 0.915 20 0 BCADHM CCC[C@@H](O)C[N-]S(=O)(=O)Cc1ccon1 ZINC000269775846 385634308 /nfs/dbraw/zinc/63/43/08/385634308.db2.gz NSXOXSGSAJDDTF-SECBINFHSA-N -1 3 248.304 0.255 20 0 BCADHM CC(C)(C)[C@@H](CCO)NCc1n[nH]c(=O)[n-]1 ZINC000336652987 385664574 /nfs/dbraw/zinc/66/45/74/385664574.db2.gz FVYFIWBGDBVUNR-SSDOTTSWSA-N -1 3 228.296 0.397 20 0 BCADHM O=S(=O)([N-]C[C@H]1CCCO1)c1ccccn1 ZINC000340077795 385643717 /nfs/dbraw/zinc/64/37/17/385643717.db2.gz BSCRWMBFIQBQJI-SECBINFHSA-N -1 3 242.300 0.539 20 0 BCADHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335453723 385650877 /nfs/dbraw/zinc/65/08/77/385650877.db2.gz WAOWHVOVAAPTNU-SFYZADRCSA-N -1 3 229.305 0.354 20 0 BCADHM C[C@H]1CN(Cc2nc3c(cnn3C)c(=O)[n-]2)[C@H]1C ZINC000645218073 385679561 /nfs/dbraw/zinc/67/95/61/385679561.db2.gz BJGJEJJTPVJJFT-YUMQZZPRSA-N -1 3 247.302 0.909 20 0 BCADHM CCCc1noc([C@@H](C)[N-]S(C)(=O)=O)n1 ZINC000270303018 385695408 /nfs/dbraw/zinc/69/54/08/385695408.db2.gz CBNKNMMHEBVRHL-ZCFIWIBFSA-N -1 3 233.293 0.632 20 0 BCADHM CC[C@H](O)CNC(=O)c1ccc(O)cc1[O-] ZINC000230017293 385700140 /nfs/dbraw/zinc/70/01/40/385700140.db2.gz KIOKQVIMPFOIPS-ZETCQYMHSA-N -1 3 225.244 0.599 20 0 BCADHM Cn1cnnc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000281866941 385708837 /nfs/dbraw/zinc/70/88/37/385708837.db2.gz ONGFRRQYFFISHU-UHFFFAOYSA-N -1 3 233.231 0.933 20 0 BCADHM Cn1ncnc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000282052376 385727917 /nfs/dbraw/zinc/72/79/17/385727917.db2.gz BCDQCTKYZNYGOF-UHFFFAOYSA-N -1 3 233.231 0.933 20 0 BCADHM O=c1[n-]nc(CN[C@H]2CCO[C@@H]2C2CC2)s1 ZINC000309603067 385738025 /nfs/dbraw/zinc/73/80/25/385738025.db2.gz XDJOATJOXPIGPA-IONNQARKSA-N -1 3 241.316 0.489 20 0 BCADHM Cc1noc2ncc(NC(=O)c3cnn[n-]3)cc12 ZINC000337680224 385745130 /nfs/dbraw/zinc/74/51/30/385745130.db2.gz DNNJTQNZBHMBPQ-UHFFFAOYSA-N -1 3 244.214 0.902 20 0 BCADHM Cc1noc2ncc(NC(=O)c3c[n-]nn3)cc12 ZINC000337680224 385745134 /nfs/dbraw/zinc/74/51/34/385745134.db2.gz DNNJTQNZBHMBPQ-UHFFFAOYSA-N -1 3 244.214 0.902 20 0 BCADHM Cc1noc2ncc(NC(=O)c3cn[n-]n3)cc12 ZINC000337680224 385745138 /nfs/dbraw/zinc/74/51/38/385745138.db2.gz DNNJTQNZBHMBPQ-UHFFFAOYSA-N -1 3 244.214 0.902 20 0 BCADHM CN(C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647797571 385773967 /nfs/dbraw/zinc/77/39/67/385773967.db2.gz SZBNUNAYGZMXJW-UHFFFAOYSA-N -1 3 234.259 0.769 20 0 BCADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1nnc(OC)[n-]1 ZINC000182997874 385726424 /nfs/dbraw/zinc/72/64/24/385726424.db2.gz KLGPDTHWWFUWOY-NTSWFWBYSA-N -1 3 226.236 0.177 20 0 BCADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1n[n-]c(OC)n1 ZINC000182997874 385726426 /nfs/dbraw/zinc/72/64/26/385726426.db2.gz KLGPDTHWWFUWOY-NTSWFWBYSA-N -1 3 226.236 0.177 20 0 BCADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1nc(OC)n[n-]1 ZINC000182997874 385726432 /nfs/dbraw/zinc/72/64/32/385726432.db2.gz KLGPDTHWWFUWOY-NTSWFWBYSA-N -1 3 226.236 0.177 20 0 BCADHM CC(C)C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282944251 385800267 /nfs/dbraw/zinc/80/02/67/385800267.db2.gz PVDUEQGQNYGELE-MRVPVSSYSA-N -1 3 238.291 0.460 20 0 BCADHM CCCc1nc(C)c(CNC(=O)c2c[n-]nn2)o1 ZINC000294121671 385809974 /nfs/dbraw/zinc/80/99/74/385809974.db2.gz JYSHXFZAAVACCA-UHFFFAOYSA-N -1 3 249.274 0.984 20 0 BCADHM CCCc1nc(C)c(CNC(=O)c2cnn[n-]2)o1 ZINC000294121671 385809980 /nfs/dbraw/zinc/80/99/80/385809980.db2.gz JYSHXFZAAVACCA-UHFFFAOYSA-N -1 3 249.274 0.984 20 0 BCADHM CCCc1nc(C)c(CNC(=O)c2cn[n-]n2)o1 ZINC000294121671 385809984 /nfs/dbraw/zinc/80/99/84/385809984.db2.gz JYSHXFZAAVACCA-UHFFFAOYSA-N -1 3 249.274 0.984 20 0 BCADHM CS(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000307725583 385823589 /nfs/dbraw/zinc/82/35/89/385823589.db2.gz BATZPUYAHJHRBM-UHFFFAOYSA-N -1 3 211.193 0.650 20 0 BCADHM CCCc1cc(NC(=O)c2nnc[n-]2)n(C)n1 ZINC000271390209 385823781 /nfs/dbraw/zinc/82/37/81/385823781.db2.gz KXMRZFRRSJXNJV-UHFFFAOYSA-N -1 3 234.263 0.743 20 0 BCADHM CCCc1cc(NC(=O)c2nc[n-]n2)n(C)n1 ZINC000271390209 385823785 /nfs/dbraw/zinc/82/37/85/385823785.db2.gz KXMRZFRRSJXNJV-UHFFFAOYSA-N -1 3 234.263 0.743 20 0 BCADHM CN(Cc1nc(=O)[n-][nH]1)C1Cc2ccccc2C1 ZINC000271650740 385843354 /nfs/dbraw/zinc/84/33/54/385843354.db2.gz UZUICFMATSCNIQ-UHFFFAOYSA-N -1 3 244.298 0.697 20 0 BCADHM O=CN1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000294370467 385843496 /nfs/dbraw/zinc/84/34/96/385843496.db2.gz CVFCNMPZRQSVKQ-UHFFFAOYSA-N -1 3 248.282 0.697 20 0 BCADHM Cc1c(S(=O)(=O)[N-]C(C)(C)CF)cnn1C ZINC000335764373 385853753 /nfs/dbraw/zinc/85/37/53/385853753.db2.gz NVOQLQMZYWAARN-UHFFFAOYSA-N -1 3 249.311 0.755 20 0 BCADHM CN(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000647738142 385892440 /nfs/dbraw/zinc/89/24/40/385892440.db2.gz ZXJYOARYXGJZGM-OPRDCNLKSA-N -1 3 240.303 0.260 20 0 BCADHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccoc1)C(N)=O ZINC000285118817 385898515 /nfs/dbraw/zinc/89/85/15/385898515.db2.gz IJDOSFUZHILFHP-MRVPVSSYSA-N -1 3 246.288 0.068 20 0 BCADHM Cc1ccc(C(F)(F)C(=O)[N-]CC(N)=O)cc1 ZINC000272402903 385899882 /nfs/dbraw/zinc/89/98/82/385899882.db2.gz FJRJLGAYFBLNFU-UHFFFAOYSA-N -1 3 242.225 0.688 20 0 BCADHM COc1nc(NC(=O)[C@H]2C[C@@H]2C(F)F)n[n-]1 ZINC000338172123 385907821 /nfs/dbraw/zinc/90/78/21/385907821.db2.gz FVTFIAPOWCJZML-IMJSIDKUSA-N -1 3 232.190 0.653 20 0 BCADHM COc1nnc(NC(=O)[C@H]2C[C@@H]2C(F)F)[n-]1 ZINC000338172123 385907823 /nfs/dbraw/zinc/90/78/23/385907823.db2.gz FVTFIAPOWCJZML-IMJSIDKUSA-N -1 3 232.190 0.653 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2C[C@@H]2C(F)F)n1 ZINC000338172123 385907825 /nfs/dbraw/zinc/90/78/25/385907825.db2.gz FVTFIAPOWCJZML-IMJSIDKUSA-N -1 3 232.190 0.653 20 0 BCADHM c1[n-][nH]c2ncnc(=NCC[C@H]3CCOC3)c1-2 ZINC000342113795 385929757 /nfs/dbraw/zinc/92/97/57/385929757.db2.gz AHHKQFBPUVMNJC-QMMMGPOBSA-N -1 3 233.275 0.565 20 0 BCADHM c1[n-][nH]c2ncnc(=NCC[C@@H]3CCOC3)c1-2 ZINC000342113794 385930114 /nfs/dbraw/zinc/93/01/14/385930114.db2.gz AHHKQFBPUVMNJC-MRVPVSSYSA-N -1 3 233.275 0.565 20 0 BCADHM Cc1ccc([O-])c(CNC[C@H]2COCCO2)n1 ZINC000112716713 385862214 /nfs/dbraw/zinc/86/22/14/385862214.db2.gz CRENVVDXTCGRGL-JTQLQIEISA-N -1 3 238.287 0.601 20 0 BCADHM Cc1ccc([O-])c(CN[C@H](C)C(=O)N(C)C)n1 ZINC000112716624 385862722 /nfs/dbraw/zinc/86/27/22/385862722.db2.gz IKSOGQNGUSPVAG-SECBINFHSA-N -1 3 237.303 0.662 20 0 BCADHM C[C@@H]([N-]C(=O)C(C)(Cl)Cl)C(=O)N(C)C ZINC000271969037 385864848 /nfs/dbraw/zinc/86/48/48/385864848.db2.gz QDNSBHNVESDWTR-RXMQYKEDSA-N -1 3 241.118 0.773 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@]2(O)CCOC2)n1 ZINC000413766563 385875919 /nfs/dbraw/zinc/87/59/19/385875919.db2.gz ZRQDEYVUZKIREE-NSHDSACASA-N -1 3 238.243 0.186 20 0 BCADHM CN(C)c1n[nH]c([N-]C(=O)c2ccon2)n1 ZINC000285923619 385978485 /nfs/dbraw/zinc/97/84/85/385978485.db2.gz GMYZNFXBADIKMI-UHFFFAOYSA-N -1 3 222.208 0.111 20 0 BCADHM C[C@@H]1C[C@H](CCNC(=O)c2c[n-]nn2)CCO1 ZINC000273233057 385979161 /nfs/dbraw/zinc/97/91/61/385979161.db2.gz VFLPTKWMLGJOCZ-RKDXNWHRSA-N -1 3 238.291 0.740 20 0 BCADHM C[C@@H]1C[C@H](CCNC(=O)c2cnn[n-]2)CCO1 ZINC000273233057 385979167 /nfs/dbraw/zinc/97/91/67/385979167.db2.gz VFLPTKWMLGJOCZ-RKDXNWHRSA-N -1 3 238.291 0.740 20 0 BCADHM C[C@@H]1C[C@H](CCNC(=O)c2cn[n-]n2)CCO1 ZINC000273233057 385979170 /nfs/dbraw/zinc/97/91/70/385979170.db2.gz VFLPTKWMLGJOCZ-RKDXNWHRSA-N -1 3 238.291 0.740 20 0 BCADHM CN(C)c1n[nH]c([N-]C(=O)C(F)F)n1 ZINC000286016442 385986497 /nfs/dbraw/zinc/98/64/97/385986497.db2.gz NZHNFNBGBYHTCE-UHFFFAOYSA-N -1 3 205.168 0.074 20 0 BCADHM CCCOCC(=O)NCc1cnc(C)[n-]c1=O ZINC000345090350 385993389 /nfs/dbraw/zinc/99/33/89/385993389.db2.gz ILRVQLFDXXHPMZ-UHFFFAOYSA-N -1 3 239.275 0.533 20 0 BCADHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000342170805 385949317 /nfs/dbraw/zinc/94/93/17/385949317.db2.gz IBULFAFXKNMYDF-RNFRBKRXSA-N -1 3 233.293 0.111 20 0 BCADHM CO[C@H](C)C(=O)[N-]c1nncn1C1CC1 ZINC000285855173 385972697 /nfs/dbraw/zinc/97/26/97/385972697.db2.gz PKVCERFFQVDWMZ-ZCFIWIBFSA-N -1 3 210.237 0.586 20 0 BCADHM Cc1ncc(CNC(=O)[C@@H]2CCOC2)c(=O)[n-]1 ZINC000345101485 385997409 /nfs/dbraw/zinc/99/74/09/385997409.db2.gz DXZVRLAADOJHHI-MRVPVSSYSA-N -1 3 237.259 0.143 20 0 BCADHM COC(=O)NCC(=O)Nc1nc(C)ccc1[O-] ZINC000273441796 386000247 /nfs/dbraw/zinc/00/02/47/386000247.db2.gz GCLIVUIHNMJQKH-UHFFFAOYSA-N -1 3 239.231 0.390 20 0 BCADHM CO[N-]C(=O)C12CCC(C(=O)OC)(CC1)C2 ZINC000365292371 386012835 /nfs/dbraw/zinc/01/28/35/386012835.db2.gz XOVQQEVQBQOHDM-UHFFFAOYSA-N -1 3 227.260 0.788 20 0 BCADHM CC[C@](C)(OC)C(=O)Nc1nnc(OC)[n-]1 ZINC000234136926 386027889 /nfs/dbraw/zinc/02/78/89/386027889.db2.gz MZDQJQUCOJGSMA-VIFPVBQESA-N -1 3 228.252 0.567 20 0 BCADHM CC[C@](C)(OC)C(=O)Nc1n[n-]c(OC)n1 ZINC000234136926 386027895 /nfs/dbraw/zinc/02/78/95/386027895.db2.gz MZDQJQUCOJGSMA-VIFPVBQESA-N -1 3 228.252 0.567 20 0 BCADHM CC[C@](C)(OC)C(=O)Nc1nc(OC)n[n-]1 ZINC000234136926 386027901 /nfs/dbraw/zinc/02/79/01/386027901.db2.gz MZDQJQUCOJGSMA-VIFPVBQESA-N -1 3 228.252 0.567 20 0 BCADHM Cc1ncc(CNC(=O)c2ccccn2)c(=O)[n-]1 ZINC000345127119 386033380 /nfs/dbraw/zinc/03/33/80/386033380.db2.gz NZLLZRITWKCKRF-UHFFFAOYSA-N -1 3 244.254 0.816 20 0 BCADHM CC(C)([N-]S(C)(=O)=O)c1nc(C2CC2)no1 ZINC000331818915 386035448 /nfs/dbraw/zinc/03/54/48/386035448.db2.gz YXSVMEUQDHMPLT-UHFFFAOYSA-N -1 3 245.304 0.731 20 0 BCADHM CO[C@@H](C)CCNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000338705520 386117349 /nfs/dbraw/zinc/11/73/49/386117349.db2.gz XKTZGYKDJQWAAU-QMMMGPOBSA-N -1 3 239.275 0.645 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H]2CCC(=O)NC2)n1 ZINC000112839984 386120478 /nfs/dbraw/zinc/12/04/78/386120478.db2.gz PBPQNFTWIVNBNR-SECBINFHSA-N -1 3 235.287 0.464 20 0 BCADHM C[C@@H]1C[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000334435377 386058372 /nfs/dbraw/zinc/05/83/72/386058372.db2.gz ZFXHBCFKWZTQRB-SFYZADRCSA-N -1 3 210.281 0.339 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000334440425 386067395 /nfs/dbraw/zinc/06/73/95/386067395.db2.gz WUTGNVBXRKSZKK-NSHDSACASA-N -1 3 245.282 0.423 20 0 BCADHM CCC[C@@H](O)CS(=O)(=O)c1ncc(CC)[n-]1 ZINC000296023205 386123317 /nfs/dbraw/zinc/12/33/17/386123317.db2.gz URHQRODVCRKJRU-SECBINFHSA-N -1 3 246.332 0.907 20 0 BCADHM CCC[C@@H](O)CS(=O)(=O)c1nc(CC)c[n-]1 ZINC000296023205 386123324 /nfs/dbraw/zinc/12/33/24/386123324.db2.gz URHQRODVCRKJRU-SECBINFHSA-N -1 3 246.332 0.907 20 0 BCADHM CCS(=O)(=O)[N-][C@@H](C)c1nc(C)no1 ZINC000338910148 386173174 /nfs/dbraw/zinc/17/31/74/386173174.db2.gz XAYOAEKOFOKIKK-YFKPBYRVSA-N -1 3 219.266 0.378 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2CCOC2)[n-]1 ZINC000263853042 386182850 /nfs/dbraw/zinc/18/28/50/386182850.db2.gz DUXQQRBRFNDRKZ-YFKPBYRVSA-N -1 3 228.277 0.502 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2CCOC2)n1 ZINC000263853042 386182857 /nfs/dbraw/zinc/18/28/57/386182857.db2.gz DUXQQRBRFNDRKZ-YFKPBYRVSA-N -1 3 228.277 0.502 20 0 BCADHM CSc1nc(NC(=O)[C@H]2CCOC2)n[n-]1 ZINC000263853042 386182863 /nfs/dbraw/zinc/18/28/63/386182863.db2.gz DUXQQRBRFNDRKZ-YFKPBYRVSA-N -1 3 228.277 0.502 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)[C@@H]1CCCOC1 ZINC000355568882 386207078 /nfs/dbraw/zinc/20/70/78/386207078.db2.gz SIAKUQWSGHYHMY-DTWKUNHWSA-N -1 3 247.302 0.953 20 0 BCADHM O=C(NCc1nccn1C(F)F)c1c[n-]nn1 ZINC000347063521 386211386 /nfs/dbraw/zinc/21/13/86/386211386.db2.gz DZXFQTWSQRVJCA-UHFFFAOYSA-N -1 3 242.189 0.326 20 0 BCADHM O=C(NCc1nccn1C(F)F)c1cnn[n-]1 ZINC000347063521 386211389 /nfs/dbraw/zinc/21/13/89/386211389.db2.gz DZXFQTWSQRVJCA-UHFFFAOYSA-N -1 3 242.189 0.326 20 0 BCADHM O=C(NCc1nccn1C(F)F)c1cn[n-]n1 ZINC000347063521 386211392 /nfs/dbraw/zinc/21/13/92/386211392.db2.gz DZXFQTWSQRVJCA-UHFFFAOYSA-N -1 3 242.189 0.326 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])C(=O)O1 ZINC000288593502 386220555 /nfs/dbraw/zinc/22/05/55/386220555.db2.gz MBMUOMAKTDGLED-APPZFPTMSA-N -1 3 235.239 0.826 20 0 BCADHM COC(=O)C[C@@H](C)CC(=O)[N-]C1=NCCS1 ZINC000288670084 386224425 /nfs/dbraw/zinc/22/44/25/386224425.db2.gz ZHCQHPBRGFDQQQ-ZETCQYMHSA-N -1 3 244.316 0.795 20 0 BCADHM COC(=O)C[C@H](C)CC(=O)[N-]C1=NCCS1 ZINC000288670079 386224806 /nfs/dbraw/zinc/22/48/06/386224806.db2.gz ZHCQHPBRGFDQQQ-SSDOTTSWSA-N -1 3 244.316 0.795 20 0 BCADHM Cn1ccc(/C=C/C(=O)[N-]OC(C)(C)CO)c1 ZINC000297197485 386232882 /nfs/dbraw/zinc/23/28/82/386232882.db2.gz MFZZOWFGEGQVSG-SNAWJCMRSA-N -1 3 238.287 0.857 20 0 BCADHM COc1cc(C(=O)N2CC[C@@H](O)C2)ccc1[O-] ZINC000275917740 386252130 /nfs/dbraw/zinc/25/21/30/386252130.db2.gz ABVGJFDJZXXYOK-SECBINFHSA-N -1 3 237.255 0.608 20 0 BCADHM Cc1cc(C(=O)N2CCCCO2)[n-]c(=O)n1 ZINC000275991787 386257222 /nfs/dbraw/zinc/25/72/22/386257222.db2.gz MQHVOWZTABNOIR-UHFFFAOYSA-N -1 3 223.232 0.658 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@H]3CCO[C@H]3C3CC3)c1-2 ZINC000340569245 386257289 /nfs/dbraw/zinc/25/72/89/386257289.db2.gz FCBAHNYAAYYGAK-UWVGGRQHSA-N -1 3 245.286 0.706 20 0 BCADHM O=S(=O)([N-][C@@H]1CCC[C@H]1O)c1ccccn1 ZINC000416524772 386324404 /nfs/dbraw/zinc/32/44/04/386324404.db2.gz MZOANVIVUSNKHP-RKDXNWHRSA-N -1 3 242.300 0.273 20 0 BCADHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000289485946 386312595 /nfs/dbraw/zinc/31/25/95/386312595.db2.gz IRBBVUZKFPYZLN-HTQZYQBOSA-N -1 3 247.320 0.122 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000298251520 386314718 /nfs/dbraw/zinc/31/47/18/386314718.db2.gz FANXPJABGITHFM-DTORHVGOSA-N -1 3 221.256 0.954 20 0 BCADHM C[C@@H](C(=O)Nc1ncccc1[O-])S(C)(=O)=O ZINC000265199066 386314962 /nfs/dbraw/zinc/31/49/62/386314962.db2.gz PKHDHCSTKUBBSB-LURJTMIESA-N -1 3 244.272 0.159 20 0 BCADHM CC(C)N1C(=O)C[C@H]([N-]C(=O)C(C)(F)F)C1=O ZINC000289269942 386280123 /nfs/dbraw/zinc/28/01/23/386280123.db2.gz REQVCNSXHKVBRD-LURJTMIESA-N -1 3 248.229 0.294 20 0 BCADHM CSCCC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000265469761 386342400 /nfs/dbraw/zinc/34/24/00/386342400.db2.gz CKGGSRCSBSRSQP-UHFFFAOYSA-N -1 3 249.361 0.452 20 0 BCADHM CC(C)CN(Cc1nc(=O)n(C)[n-]1)C(C)C ZINC000347388394 386375733 /nfs/dbraw/zinc/37/57/33/386375733.db2.gz CHHXCIASFLBKHG-UHFFFAOYSA-N -1 3 226.324 0.975 20 0 BCADHM CO[C@H](C)[C@H](C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000347386410 386377321 /nfs/dbraw/zinc/37/73/21/386377321.db2.gz YHMWCEFDDJXLBW-JGVFFNPUSA-N -1 3 239.275 0.644 20 0 BCADHM C[C@@H](CO)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000265846780 386378425 /nfs/dbraw/zinc/37/84/25/386378425.db2.gz VLGJCZWLWVTDJH-ZETCQYMHSA-N -1 3 242.250 0.711 20 0 BCADHM CC(C)CN(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC000347392995 386378729 /nfs/dbraw/zinc/37/87/29/386378729.db2.gz LTMTVNRARPVMDS-UHFFFAOYSA-N -1 3 224.308 0.729 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@@H](O)C2)c1 ZINC000298358836 386330659 /nfs/dbraw/zinc/33/06/59/386330659.db2.gz LJKLUMHOAYFKAR-DTORHVGOSA-N -1 3 221.256 0.954 20 0 BCADHM C[C@H](NCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000347530232 386441801 /nfs/dbraw/zinc/44/18/01/386441801.db2.gz HKWVURUMZQLWEJ-VIFPVBQESA-N -1 3 232.287 0.959 20 0 BCADHM Cc1cc(C(=O)N[C@H]2CCC(=O)NC2)ccc1[O-] ZINC000226987224 386442876 /nfs/dbraw/zinc/44/28/76/386442876.db2.gz HCPXOTGGXJBVEZ-JTQLQIEISA-N -1 3 248.282 0.709 20 0 BCADHM C[C@H]([N-]C(=O)C(C)(F)F)c1nc[nH]n1 ZINC000284152022 386443536 /nfs/dbraw/zinc/44/35/36/386443536.db2.gz TXJMPTTUZZTHDN-BYPYZUCNSA-N -1 3 204.180 0.637 20 0 BCADHM CC(C)N(Cc1nc(=O)n(C)[n-]1)C(C)C ZINC000347546748 386446040 /nfs/dbraw/zinc/44/60/40/386446040.db2.gz VYBSVNYEROAEPW-UHFFFAOYSA-N -1 3 212.297 0.727 20 0 BCADHM Cc1cc(C(=O)N2CCNC(=O)CC2)ccc1[O-] ZINC000227026086 386448256 /nfs/dbraw/zinc/44/82/56/386448256.db2.gz CVTFFINKVGMISX-UHFFFAOYSA-N -1 3 248.282 0.663 20 0 BCADHM Cc1ccc([C@H](O)CNC(=O)c2c[n-]nn2)o1 ZINC000266046465 386392875 /nfs/dbraw/zinc/39/28/75/386392875.db2.gz YBRQKBLFJGEMCW-MRVPVSSYSA-N -1 3 236.231 0.170 20 0 BCADHM Cc1ccc([C@H](O)CNC(=O)c2cnn[n-]2)o1 ZINC000266046465 386392883 /nfs/dbraw/zinc/39/28/83/386392883.db2.gz YBRQKBLFJGEMCW-MRVPVSSYSA-N -1 3 236.231 0.170 20 0 BCADHM Cc1ccc([C@H](O)CNC(=O)c2cn[n-]n2)o1 ZINC000266046465 386392887 /nfs/dbraw/zinc/39/28/87/386392887.db2.gz YBRQKBLFJGEMCW-MRVPVSSYSA-N -1 3 236.231 0.170 20 0 BCADHM CSC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000347438279 386403265 /nfs/dbraw/zinc/40/32/65/386403265.db2.gz MAWUOYKSSZCLOE-MRVPVSSYSA-N -1 3 242.348 0.436 20 0 BCADHM CC[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1 ZINC000347441689 386404028 /nfs/dbraw/zinc/40/40/28/386404028.db2.gz PQIUAYYCOIUGBD-QMMMGPOBSA-N -1 3 212.297 0.586 20 0 BCADHM Cc1nc(C[N-]S(=O)(=O)CC(C)C)no1 ZINC000266185178 386408673 /nfs/dbraw/zinc/40/86/73/386408673.db2.gz LWLWAWOTDBOVGB-UHFFFAOYSA-N -1 3 233.293 0.453 20 0 BCADHM CC(C)=CC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000277094769 386409056 /nfs/dbraw/zinc/40/90/56/386409056.db2.gz SBIIUVDZRDRXAR-UHFFFAOYSA-N -1 3 229.305 0.665 20 0 BCADHM CCn1nccc1CNC(C)(C)C(=O)[O-] ZINC000417585160 386419131 /nfs/dbraw/zinc/41/91/31/386419131.db2.gz YYMPYXFVLXAYNB-UHFFFAOYSA-N -1 3 211.265 0.856 20 0 BCADHM Cn1cc(C(=O)N[C@H]2CC2(C)C)c(=O)[n-]c1=O ZINC000299175505 386423619 /nfs/dbraw/zinc/42/36/19/386423619.db2.gz XBBDXNKAOUKTDN-ZETCQYMHSA-N -1 3 237.259 0.014 20 0 BCADHM CC[C@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335432302 386489618 /nfs/dbraw/zinc/48/96/18/386489618.db2.gz CVDQDFANWMIDOS-ZETCQYMHSA-N -1 3 217.294 0.497 20 0 BCADHM COC(=O)c1ccc(C(=O)Nc2ccnn2C)[n-]1 ZINC000339623256 386491920 /nfs/dbraw/zinc/49/19/20/386491920.db2.gz MQEWUEYBRZMMSC-UHFFFAOYSA-N -1 3 248.242 0.787 20 0 BCADHM COC[C@H](O)CCNC(=O)c1cccc([O-])c1 ZINC000227687645 386503248 /nfs/dbraw/zinc/50/32/48/386503248.db2.gz AEQNCVMKTHPOQO-LLVKDONJSA-N -1 3 239.271 0.519 20 0 BCADHM C[C@@H]1CC2(CCC2)CN1Cc1nc(=O)n(C)[n-]1 ZINC000335452850 386527354 /nfs/dbraw/zinc/52/73/54/386527354.db2.gz ZDQQRDLZORNKGF-SECBINFHSA-N -1 3 236.319 0.873 20 0 BCADHM CCS(=O)(=O)[N-]Cc1nc(C(C)(C)C)no1 ZINC000136327860 386574528 /nfs/dbraw/zinc/57/45/28/386574528.db2.gz NXZMEWOPDWHCPN-UHFFFAOYSA-N -1 3 247.320 0.806 20 0 BCADHM O=C([N-]OC/C=C/Cl)C1CC(=O)C1 ZINC000291734191 386575568 /nfs/dbraw/zinc/57/55/68/386575568.db2.gz FURUIYJUFOICLR-OWOJBTEDSA-N -1 3 203.625 0.766 20 0 BCADHM CO[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H](C)C1 ZINC000408426572 386576409 /nfs/dbraw/zinc/57/64/09/386576409.db2.gz UWYACJLGYBPMPM-IUCAKERBSA-N -1 3 240.307 0.108 20 0 BCADHM O=S(=O)([N-][C@@H]1CCC[C@H](F)C1)c1c[nH]cn1 ZINC000335417014 386584491 /nfs/dbraw/zinc/58/44/91/386584491.db2.gz ILXJXXWHPGZVAH-JGVFFNPUSA-N -1 3 247.295 0.969 20 0 BCADHM C[C@H]([N-]C(=O)C(F)F)C(=O)NCc1ccco1 ZINC000278640018 386558396 /nfs/dbraw/zinc/55/83/96/386558396.db2.gz LJBDEDMLGRADFJ-LURJTMIESA-N -1 3 246.213 0.666 20 0 BCADHM CCc1cc(C(=O)NOCC(N)=O)ccc1[O-] ZINC000291597173 386558914 /nfs/dbraw/zinc/55/89/14/386558914.db2.gz FCTXHVZXQYYCMI-UHFFFAOYSA-N -1 3 238.243 0.101 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)Nc2ccncc2[O-])CO1 ZINC000408423178 386570279 /nfs/dbraw/zinc/57/02/79/386570279.db2.gz WVBHQWVFMXBUBN-HTQZYQBOSA-N -1 3 222.244 0.573 20 0 BCADHM COC(=O)[C@H]1CC[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000291908908 386598076 /nfs/dbraw/zinc/59/80/76/386598076.db2.gz SPHQWUGHYNKXLZ-WESAQQHOSA-N -1 3 247.678 0.986 20 0 BCADHM CO[N-]C(=O)Cc1cc(OC)c(O)c(OC)c1 ZINC000278933964 386608582 /nfs/dbraw/zinc/60/85/82/386608582.db2.gz DSEJRKAAKAWATQ-UHFFFAOYSA-N -1 3 241.243 0.630 20 0 BCADHM COc1cc(C(=O)N(C)C[C@H](C)O)ccc1[O-] ZINC000292046804 386614314 /nfs/dbraw/zinc/61/43/14/386614314.db2.gz FFVUNQVKZDEOTM-QMMMGPOBSA-N -1 3 239.271 0.854 20 0 BCADHM C[C@](O)(C[N-]C(=O)C(F)F)c1ccco1 ZINC000279012450 386617677 /nfs/dbraw/zinc/61/76/77/386617677.db2.gz HVPVFFHSQPPEEN-VIFPVBQESA-N -1 3 219.187 0.868 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)[n-]c(=O)n1 ZINC000268600199 386668280 /nfs/dbraw/zinc/66/82/80/386668280.db2.gz ALFJVVBKXQDTJU-CAHLUQPWSA-N -1 3 207.233 0.629 20 0 BCADHM C[C@]1(NC(=O)c2cccc([O-])c2)CCOC1=O ZINC000292449910 386672640 /nfs/dbraw/zinc/67/26/40/386672640.db2.gz KSBFUPNIDHZCIW-LBPRGKRZSA-N -1 3 235.239 0.828 20 0 BCADHM CNC(=O)[C@H]1CCCCN1Cc1ncccc1[O-] ZINC000520459101 386681795 /nfs/dbraw/zinc/68/17/95/386681795.db2.gz PCGSSZFLFXRYIR-LLVKDONJSA-N -1 3 249.314 0.888 20 0 BCADHM Cc1ccc([O-])c(NC(=O)CCCC(N)=O)n1 ZINC000279279810 386657601 /nfs/dbraw/zinc/65/76/01/386657601.db2.gz OFVGFUZMBNDVMQ-UHFFFAOYSA-N -1 3 237.259 0.690 20 0 BCADHM Cn1nncc1C[S@](=O)c1ccc([O-])cc1 ZINC000357073862 386710213 /nfs/dbraw/zinc/71/02/13/386710213.db2.gz YBEVZNAIJBJJDP-INIZCTEOSA-N -1 3 237.284 0.829 20 0 BCADHM CSC[C@H](C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268716404 386685623 /nfs/dbraw/zinc/68/56/23/386685623.db2.gz DZZWTFIODXGYKV-ZETCQYMHSA-N -1 3 241.316 0.972 20 0 BCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccco2)CO1 ZINC000335469199 386685717 /nfs/dbraw/zinc/68/57/17/386685717.db2.gz FMKNIKRRBMNYOH-SFYZADRCSA-N -1 3 231.273 0.735 20 0 BCADHM Cc1cc(C(=O)N2CC[C@@H](C)C2)[n-]c(=O)n1 ZINC000268893655 386712736 /nfs/dbraw/zinc/71/27/36/386712736.db2.gz SUZQKBVBLBVFKP-SSDOTTSWSA-N -1 3 221.260 0.973 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H](C)NC(N)=O)n1 ZINC000280009501 386769675 /nfs/dbraw/zinc/76/96/75/386769675.db2.gz CLWVCVNKUKKTLG-LURJTMIESA-N -1 3 238.247 0.091 20 0 BCADHM C[C@]1(O)CCCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000329971486 386820494 /nfs/dbraw/zinc/82/04/94/386820494.db2.gz YMWKMYJXWPILEQ-JTQLQIEISA-N -1 3 242.300 0.836 20 0 BCADHM CC(C)n1ccc(NC(=O)c2cnn[n-]2)n1 ZINC000280536946 386823224 /nfs/dbraw/zinc/82/32/24/386823224.db2.gz SKOXWDNIAINJAS-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM CC(C)n1ccc(NC(=O)c2c[n-]nn2)n1 ZINC000280536946 386823230 /nfs/dbraw/zinc/82/32/30/386823230.db2.gz SKOXWDNIAINJAS-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM CC(C)n1ccc(NC(=O)c2cn[n-]n2)n1 ZINC000280536946 386823233 /nfs/dbraw/zinc/82/32/33/386823233.db2.gz SKOXWDNIAINJAS-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM CC(C)[C@H](N=c1ncnc2[nH][n-]cc1-2)C(C)(C)O ZINC000357744594 386839475 /nfs/dbraw/zinc/83/94/75/386839475.db2.gz IJBVANVPISZAPV-VIFPVBQESA-N -1 3 249.318 0.934 20 0 BCADHM CCO[N-]C(=O)CCc1ccccc1C(N)=O ZINC000280745033 386841406 /nfs/dbraw/zinc/84/14/06/386841406.db2.gz HMNFXEDEOSPPPQ-UHFFFAOYSA-N -1 3 236.271 0.786 20 0 BCADHM CC(C)(C)c1[nH]ncc1C(=O)Nc1nnn[n-]1 ZINC000293607914 386846899 /nfs/dbraw/zinc/84/68/99/386846899.db2.gz DXAATMKELDLLKZ-UHFFFAOYSA-N -1 3 235.251 0.473 20 0 BCADHM CC(C)(C)c1[nH]ncc1C(=O)Nc1nn[n-]n1 ZINC000293607914 386846901 /nfs/dbraw/zinc/84/69/01/386846901.db2.gz DXAATMKELDLLKZ-UHFFFAOYSA-N -1 3 235.251 0.473 20 0 BCADHM O=C(N[C@@H]1CC[S@](=O)C1)c1ccccc1[O-] ZINC000335742174 386859370 /nfs/dbraw/zinc/85/93/70/386859370.db2.gz XJWPYXGDGKZFJP-BCTVWOGZSA-N -1 3 239.296 0.643 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1ccon1 ZINC000357948018 386871165 /nfs/dbraw/zinc/87/11/65/386871165.db2.gz RMKGRVYKIFRNOH-RXMQYKEDSA-N -1 3 207.193 0.284 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1ccon1 ZINC000357948018 386871170 /nfs/dbraw/zinc/87/11/70/386871170.db2.gz RMKGRVYKIFRNOH-RXMQYKEDSA-N -1 3 207.193 0.284 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1ccon1 ZINC000357948018 386871175 /nfs/dbraw/zinc/87/11/75/386871175.db2.gz RMKGRVYKIFRNOH-RXMQYKEDSA-N -1 3 207.193 0.284 20 0 BCADHM Cc1cnc(C(=O)NCCN(C)C2CC2)c([O-])c1 ZINC000331582251 386872414 /nfs/dbraw/zinc/87/24/14/386872414.db2.gz WAHKYEHRDVFIRL-UHFFFAOYSA-N -1 3 249.314 0.920 20 0 BCADHM Cn1cc(CCC(=O)[N-]OCC2CC2)cn1 ZINC000293757995 386875599 /nfs/dbraw/zinc/87/55/99/386875599.db2.gz LFROWZLMDVWMEL-UHFFFAOYSA-N -1 3 223.276 0.811 20 0 BCADHM O=C(CCCCc1c[nH]nn1)[N-]OCC1CC1 ZINC000293772180 386877924 /nfs/dbraw/zinc/87/79/24/386877924.db2.gz MWUAIIGBNJBIQN-UHFFFAOYSA-N -1 3 238.291 0.975 20 0 BCADHM C[C@@](O)(C[N-]S(=O)(=O)C1CC1)C(F)(F)F ZINC000331742656 386888753 /nfs/dbraw/zinc/88/87/53/386888753.db2.gz GPHVXCKMUKHXJW-ZCFIWIBFSA-N -1 3 247.238 0.382 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CC2CC2)c1 ZINC000331830948 386915150 /nfs/dbraw/zinc/91/51/50/386915150.db2.gz BHUVJANAFVBZAU-UHFFFAOYSA-N -1 3 229.305 0.591 20 0 BCADHM CCN(C(=O)c1ccc(O)cc1[O-])[C@@H](C)CO ZINC000293882440 386895667 /nfs/dbraw/zinc/89/56/67/386895667.db2.gz CTXNBIVDOFPOFD-QMMMGPOBSA-N -1 3 239.271 0.941 20 0 BCADHM CCC=CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000395182442 386971481 /nfs/dbraw/zinc/97/14/81/386971481.db2.gz SWQVLGMKRJRBQX-ONEGZZNKSA-N -1 3 215.278 0.654 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCN(Cc2ccon2)CC1 ZINC000331152018 386975739 /nfs/dbraw/zinc/97/57/39/386975739.db2.gz BXZDIUGUZYPRBV-VIFPVBQESA-N -1 3 239.275 0.265 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC2)o1 ZINC000358604345 386986558 /nfs/dbraw/zinc/98/65/58/386986558.db2.gz RVAZFCXJAWXUQR-QMMMGPOBSA-N -1 3 231.273 0.655 20 0 BCADHM Cc1cnc(C[N-]S(=O)(=O)CCCF)o1 ZINC000331222952 386992271 /nfs/dbraw/zinc/99/22/71/386992271.db2.gz YYOWFZCKPZMUPI-UHFFFAOYSA-N -1 3 236.268 0.762 20 0 BCADHM O=c1[n-]nc(CN2CCO[C@@H]3C[C@@H]32)s1 ZINC000368638927 386995550 /nfs/dbraw/zinc/99/55/50/386995550.db2.gz QNSADTFIYSPLNP-NTSWFWBYSA-N -1 3 213.262 0.217 20 0 BCADHM CCN(CCCO)C(=O)c1cccc2[n-]nnc21 ZINC000526118775 387034243 /nfs/dbraw/zinc/03/42/43/387034243.db2.gz POVABYWVGZZBCY-UHFFFAOYSA-N -1 3 248.286 0.802 20 0 BCADHM CCN(CCCO)C(=O)c1cccc2nn[n-]c21 ZINC000526118775 387034251 /nfs/dbraw/zinc/03/42/51/387034251.db2.gz POVABYWVGZZBCY-UHFFFAOYSA-N -1 3 248.286 0.802 20 0 BCADHM CCN(CCCO)C(=O)c1cccc2n[n-]nc21 ZINC000526118775 387034255 /nfs/dbraw/zinc/03/42/55/387034255.db2.gz POVABYWVGZZBCY-UHFFFAOYSA-N -1 3 248.286 0.802 20 0 BCADHM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)CC1CC1 ZINC000333082599 387016392 /nfs/dbraw/zinc/01/63/92/387016392.db2.gz MIBQZTUAYXRHMB-NXEZZACHSA-N -1 3 249.332 0.120 20 0 BCADHM CC(=O)N[C@H]1CCN(Cc2nc(C)ccc2[O-])C1 ZINC000228356962 387082812 /nfs/dbraw/zinc/08/28/12/387082812.db2.gz QQCFTVPHPTVAMJ-NSHDSACASA-N -1 3 249.314 0.806 20 0 BCADHM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C1CC1 ZINC000069533779 387117970 /nfs/dbraw/zinc/11/79/70/387117970.db2.gz GRILHFOYDJCFCR-VIFPVBQESA-N -1 3 249.314 1.000 20 0 BCADHM CO[C@H](C)CCNC(=O)Cc1cncc([O-])c1 ZINC000571775963 387170524 /nfs/dbraw/zinc/17/05/24/387170524.db2.gz NFEBCOBFGSBJKG-SECBINFHSA-N -1 3 238.287 0.871 20 0 BCADHM CCN(C)S(=O)(=O)NCc1ncccc1[O-] ZINC000360041362 387219645 /nfs/dbraw/zinc/21/96/45/387219645.db2.gz XEHMBLXJKDATDM-UHFFFAOYSA-N -1 3 245.304 0.073 20 0 BCADHM C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000230139488 387233247 /nfs/dbraw/zinc/23/32/47/387233247.db2.gz MITVWTXDMAVEGK-VXNVDRBHSA-N -1 3 245.304 0.256 20 0 BCADHM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000230139484 387233665 /nfs/dbraw/zinc/23/36/65/387233665.db2.gz MITVWTXDMAVEGK-IONNQARKSA-N -1 3 245.304 0.256 20 0 BCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cccnc1 ZINC000360161390 387235251 /nfs/dbraw/zinc/23/52/51/387235251.db2.gz HKNKBKHPAFXDAC-UHFFFAOYSA-N -1 3 247.214 0.117 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)CC1CCCC1 ZINC000360164447 387236312 /nfs/dbraw/zinc/23/63/12/387236312.db2.gz HHHNJOHDDRDVDR-QMMMGPOBSA-N -1 3 249.332 0.658 20 0 BCADHM CC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000336433618 387261288 /nfs/dbraw/zinc/26/12/88/387261288.db2.gz FUWSWOYSTVGWNM-UHFFFAOYSA-N -1 3 208.143 0.460 20 0 BCADHM CC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000336433618 387261290 /nfs/dbraw/zinc/26/12/90/387261290.db2.gz FUWSWOYSTVGWNM-UHFFFAOYSA-N -1 3 208.143 0.460 20 0 BCADHM CC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000336433618 387261294 /nfs/dbraw/zinc/26/12/94/387261294.db2.gz FUWSWOYSTVGWNM-UHFFFAOYSA-N -1 3 208.143 0.460 20 0 BCADHM CC(C)[C@@H](CO)C(=O)NCc1ncccc1[O-] ZINC000352506532 387267412 /nfs/dbraw/zinc/26/74/12/387267412.db2.gz GQNLKMUJRBLJAQ-SECBINFHSA-N -1 3 238.287 0.668 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1CC12CCOCC2 ZINC000372234664 387285986 /nfs/dbraw/zinc/28/59/86/387285986.db2.gz ZPEFYZGHAIHYQA-SNVBAGLBSA-N -1 3 243.303 0.887 20 0 BCADHM Cc1ccnc(C(=O)NCc2ncccc2[O-])n1 ZINC000352515381 387286469 /nfs/dbraw/zinc/28/64/69/387286469.db2.gz GPLWOYDXWMSHJP-UHFFFAOYSA-N -1 3 244.254 0.816 20 0 BCADHM Cc1c(C(=O)NCc2ncccc2[O-])cnn1C ZINC000352516548 387286607 /nfs/dbraw/zinc/28/66/07/387286607.db2.gz LNYPVTPDLRQNJG-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM O=C(CCn1cncn1)NCc1ncccc1[O-] ZINC000352515932 387286775 /nfs/dbraw/zinc/28/67/75/387286775.db2.gz IYMMLUVBKAEKBD-UHFFFAOYSA-N -1 3 247.258 0.085 20 0 BCADHM Cn1nccc1C(=O)NCc1ncccc1[O-] ZINC000352518220 387286791 /nfs/dbraw/zinc/28/67/91/387286791.db2.gz VTVYPCUMZZULER-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM CC[C@H](C[N-]S(=O)(=O)c1ccccn1)OC ZINC000352560278 387324357 /nfs/dbraw/zinc/32/43/57/387324357.db2.gz OTINACDPYXURLG-SECBINFHSA-N -1 3 244.316 0.785 20 0 BCADHM CC[C@@H](C[N-]S(=O)(=O)c1ccccn1)OC ZINC000352560279 387324732 /nfs/dbraw/zinc/32/47/32/387324732.db2.gz OTINACDPYXURLG-VIFPVBQESA-N -1 3 244.316 0.785 20 0 BCADHM N[C@H](C(=O)NCc1ncccc1[O-])C(F)(F)F ZINC000515058094 387327674 /nfs/dbraw/zinc/32/76/74/387327674.db2.gz HHCUXBYNMIXJPS-SSDOTTSWSA-N -1 3 249.192 0.293 20 0 BCADHM NC(C(=O)NCc1ncccc1[O-])C(F)(F)F ZINC000515058094 387327676 /nfs/dbraw/zinc/32/76/76/387327676.db2.gz HHCUXBYNMIXJPS-SSDOTTSWSA-N -1 3 249.192 0.293 20 0 BCADHM C[C@@H](NC(N)=O)C(=O)Nc1ccc([O-])cc1F ZINC000360668463 387333112 /nfs/dbraw/zinc/33/31/12/387333112.db2.gz HVNGUVHAKWVWNN-RXMQYKEDSA-N -1 3 241.222 0.527 20 0 BCADHM CC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000354954471 387452240 /nfs/dbraw/zinc/45/22/40/387452240.db2.gz WATLJUVNIOSXTC-JTQLQIEISA-N -1 3 247.254 0.396 20 0 BCADHM CC(C)(CF)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000336611687 387452529 /nfs/dbraw/zinc/45/25/29/387452529.db2.gz WMSZOENJYKSHLO-UHFFFAOYSA-N -1 3 221.257 0.436 20 0 BCADHM COC[C@@H](C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000354988553 387459773 /nfs/dbraw/zinc/45/97/73/387459773.db2.gz YSKZJSMTHSYFST-SSDOTTSWSA-N -1 3 225.248 0.255 20 0 BCADHM CSCCO[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC000373628580 387385939 /nfs/dbraw/zinc/38/59/39/387385939.db2.gz BIRCRWBRBIBTOD-WPRPVWTQSA-N -1 3 231.317 0.824 20 0 BCADHM CN(Cc1ccco1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000354525928 387389832 /nfs/dbraw/zinc/38/98/32/387389832.db2.gz JFEVPPIXNRRACG-UHFFFAOYSA-N -1 3 244.258 0.946 20 0 BCADHM Cn1ccc(CCN=c2ncnc3[nH][n-]cc2-3)n1 ZINC000354584069 387399964 /nfs/dbraw/zinc/39/99/64/387399964.db2.gz WNOPCRNLNMUWLI-UHFFFAOYSA-N -1 3 243.274 0.115 20 0 BCADHM O=C(COC(F)F)Nc1ncccc1[O-] ZINC000354617041 387403375 /nfs/dbraw/zinc/40/33/75/387403375.db2.gz RNCCMSZUCQWSCJ-UHFFFAOYSA-N -1 3 218.159 0.965 20 0 BCADHM CO[C@@H](CN)C(=O)Nc1cccc(Cl)c1[O-] ZINC000423754811 387411054 /nfs/dbraw/zinc/41/10/54/387411054.db2.gz IMEYWOROJXVPHT-QMMMGPOBSA-N -1 3 244.678 0.958 20 0 BCADHM CSc1nnc(NC(=O)C(F)F)[n-]1 ZINC000278598108 387542810 /nfs/dbraw/zinc/54/28/10/387542810.db2.gz IRTHPULRFCYIDR-UHFFFAOYSA-N -1 3 208.193 0.730 20 0 BCADHM CSc1n[n-]c(NC(=O)C(F)F)n1 ZINC000278598108 387542814 /nfs/dbraw/zinc/54/28/14/387542814.db2.gz IRTHPULRFCYIDR-UHFFFAOYSA-N -1 3 208.193 0.730 20 0 BCADHM CSc1nc(NC(=O)C(F)F)n[n-]1 ZINC000278598108 387542817 /nfs/dbraw/zinc/54/28/17/387542817.db2.gz IRTHPULRFCYIDR-UHFFFAOYSA-N -1 3 208.193 0.730 20 0 BCADHM O=C([O-])C[C@@H]1CN(CC2CCC2)CCO1 ZINC000085617981 387501913 /nfs/dbraw/zinc/50/19/13/387501913.db2.gz PYVMLSLPDBMPKD-SNVBAGLBSA-N -1 3 213.277 0.962 20 0 BCADHM Cc1cc(CNC(=O)c2c[n-]nn2)cc(C)n1 ZINC000421917695 387502303 /nfs/dbraw/zinc/50/23/03/387502303.db2.gz KCQCOIRGCFTVOO-UHFFFAOYSA-N -1 3 231.259 0.747 20 0 BCADHM Cc1cc(CNC(=O)c2cnn[n-]2)cc(C)n1 ZINC000421917695 387502307 /nfs/dbraw/zinc/50/23/07/387502307.db2.gz KCQCOIRGCFTVOO-UHFFFAOYSA-N -1 3 231.259 0.747 20 0 BCADHM Cc1cc(CNC(=O)c2cn[n-]n2)cc(C)n1 ZINC000421917695 387502309 /nfs/dbraw/zinc/50/23/09/387502309.db2.gz KCQCOIRGCFTVOO-UHFFFAOYSA-N -1 3 231.259 0.747 20 0 BCADHM Cn1cncc1CC(=O)NCc1ncccc1[O-] ZINC000527190369 387522466 /nfs/dbraw/zinc/52/24/66/387522466.db2.gz LLAZSVAGWADPGR-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM Cc1cc(C(=O)NCc2ncccc2[O-])ncn1 ZINC000527190350 387522780 /nfs/dbraw/zinc/52/27/80/387522780.db2.gz YYQQIYJZQRFOHL-UHFFFAOYSA-N -1 3 244.254 0.816 20 0 BCADHM CCOCCSc1nc2n[nH]cc2c(=O)[n-]1 ZINC000036673818 387595926 /nfs/dbraw/zinc/59/59/26/387595926.db2.gz FQYGQIZOGYOOHD-UHFFFAOYSA-N -1 3 240.288 0.775 20 0 BCADHM C[C@H](CCCO)[N-]S(=O)(=O)c1ccccn1 ZINC000305699434 387628816 /nfs/dbraw/zinc/62/88/16/387628816.db2.gz PCKCBYQSFADFEY-SECBINFHSA-N -1 3 244.316 0.521 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2CCO[C@@H]2C)[n-]1 ZINC000356073648 387614210 /nfs/dbraw/zinc/61/42/10/387614210.db2.gz XXQBWVXLBLPIGM-RITPCOANSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2CCO[C@@H]2C)n1 ZINC000356073648 387614211 /nfs/dbraw/zinc/61/42/11/387614211.db2.gz XXQBWVXLBLPIGM-RITPCOANSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nc(NC(=O)[C@H]2CCO[C@@H]2C)n[n-]1 ZINC000356073648 387614215 /nfs/dbraw/zinc/61/42/15/387614215.db2.gz XXQBWVXLBLPIGM-RITPCOANSA-N -1 3 242.304 0.890 20 0 BCADHM O=C(COC(F)F)[N-]c1nncn1C1CC1 ZINC000356172656 387624451 /nfs/dbraw/zinc/62/44/51/387624451.db2.gz ZNZYIWXPOXLBEJ-UHFFFAOYSA-N -1 3 232.190 0.791 20 0 BCADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000361962447 387555977 /nfs/dbraw/zinc/55/59/77/387555977.db2.gz DBPWSJDNWNKIQM-MRVPVSSYSA-N -1 3 249.332 0.310 20 0 BCADHM CC[C@H](CO)[N-]S(=O)(=O)c1ccccn1 ZINC000305727124 387637350 /nfs/dbraw/zinc/63/73/50/387637350.db2.gz YBTAURSPDFFNNI-MRVPVSSYSA-N -1 3 230.289 0.131 20 0 BCADHM CCc1cc(=O)[n-]c(CSCC(=O)NC)n1 ZINC000125550149 387661456 /nfs/dbraw/zinc/66/14/56/387661456.db2.gz OYPCXWKARUJJKL-UHFFFAOYSA-N -1 3 241.316 0.724 20 0 BCADHM CSCCN(C)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000356756119 387714877 /nfs/dbraw/zinc/71/48/77/387714877.db2.gz IAPHAHCYQWLVNZ-UHFFFAOYSA-N -1 3 241.316 0.926 20 0 BCADHM Cn1ccc(CNCc2ncccc2[O-])n1 ZINC000309477866 387805188 /nfs/dbraw/zinc/80/51/88/387805188.db2.gz CMURZLZOWXAXJW-UHFFFAOYSA-N -1 3 218.260 0.811 20 0 BCADHM O=S(=O)([N-]C[C@@H]1C[C@H](F)CN1)c1ccco1 ZINC000367832660 387757866 /nfs/dbraw/zinc/75/78/66/387757866.db2.gz OKUQKZXFISLZBW-YUMQZZPRSA-N -1 3 248.279 0.258 20 0 BCADHM CNc1ccc(C(=O)N=c2[n-]oc(C)c2C)cn1 ZINC000452158427 387758845 /nfs/dbraw/zinc/75/88/45/387758845.db2.gz CMAXURHSMLNEJX-UHFFFAOYSA-N -1 3 246.270 0.824 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000442743757 387832385 /nfs/dbraw/zinc/83/23/85/387832385.db2.gz CLWBZFRNPZBBKE-VXNVDRBHSA-N -1 3 235.305 0.062 20 0 BCADHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1ccno1 ZINC000442744895 387832404 /nfs/dbraw/zinc/83/24/04/387832404.db2.gz NPDDFDFZSLXJMR-IONNQARKSA-N -1 3 246.288 0.271 20 0 BCADHM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1ccno1 ZINC000442744897 387832897 /nfs/dbraw/zinc/83/28/97/387832897.db2.gz NPDDFDFZSLXJMR-VXNVDRBHSA-N -1 3 246.288 0.271 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C2CC=CC2)n1 ZINC000645603378 387903567 /nfs/dbraw/zinc/90/35/67/387903567.db2.gz XRGSLFPPVXMPJY-UHFFFAOYSA-N -1 3 227.289 0.417 20 0 BCADHM Cn1cnc(C(=O)Nc2ccc([O-])cc2F)n1 ZINC000437002480 387911131 /nfs/dbraw/zinc/91/11/31/387911131.db2.gz YBWMUTXAXLWDBY-UHFFFAOYSA-N -1 3 236.206 0.912 20 0 BCADHM COCCN(C)C(=O)c1cccc2[n-]nnc21 ZINC000527108410 387941060 /nfs/dbraw/zinc/94/10/60/387941060.db2.gz NIBTYGLJOWVSPV-UHFFFAOYSA-N -1 3 234.259 0.676 20 0 BCADHM COCCN(C)C(=O)c1cccc2nn[n-]c21 ZINC000527108410 387941064 /nfs/dbraw/zinc/94/10/64/387941064.db2.gz NIBTYGLJOWVSPV-UHFFFAOYSA-N -1 3 234.259 0.676 20 0 BCADHM COCCN(C)C(=O)c1cccc2n[n-]nc21 ZINC000527108410 387941067 /nfs/dbraw/zinc/94/10/67/387941067.db2.gz NIBTYGLJOWVSPV-UHFFFAOYSA-N -1 3 234.259 0.676 20 0 BCADHM CCN(C)S(=O)(=O)[N-]c1cc(C)n(C)n1 ZINC000439052773 387977800 /nfs/dbraw/zinc/97/78/00/387977800.db2.gz BCRNMWZYEAXVIE-UHFFFAOYSA-N -1 3 232.309 0.337 20 0 BCADHM CSc1nnc(NC(=O)[C@@H]2CO[C@H](C)C2)[n-]1 ZINC000439475701 388003398 /nfs/dbraw/zinc/00/33/98/388003398.db2.gz YZECRAZLGQJJRK-RITPCOANSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H]2CO[C@H](C)C2)n1 ZINC000439475701 388003401 /nfs/dbraw/zinc/00/34/01/388003401.db2.gz YZECRAZLGQJJRK-RITPCOANSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nc(NC(=O)[C@@H]2CO[C@H](C)C2)n[n-]1 ZINC000439475701 388003404 /nfs/dbraw/zinc/00/34/04/388003404.db2.gz YZECRAZLGQJJRK-RITPCOANSA-N -1 3 242.304 0.890 20 0 BCADHM O=C(Nc1ccc2c(c1)CCO2)c1cnn[n-]1 ZINC000108453661 388024806 /nfs/dbraw/zinc/02/48/06/388024806.db2.gz PQMYGBGTDJAYCE-UHFFFAOYSA-N -1 3 230.227 0.992 20 0 BCADHM O=C(Nc1ccc2c(c1)CCO2)c1c[n-]nn1 ZINC000108453661 388024811 /nfs/dbraw/zinc/02/48/11/388024811.db2.gz PQMYGBGTDJAYCE-UHFFFAOYSA-N -1 3 230.227 0.992 20 0 BCADHM O=C(Nc1ccc2c(c1)CCO2)c1cn[n-]n1 ZINC000108453661 388024814 /nfs/dbraw/zinc/02/48/14/388024814.db2.gz PQMYGBGTDJAYCE-UHFFFAOYSA-N -1 3 230.227 0.992 20 0 BCADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1COCCO1 ZINC000085203700 388085047 /nfs/dbraw/zinc/08/50/47/388085047.db2.gz SZLQKOYYDBSHTB-JTQLQIEISA-N -1 3 241.218 0.885 20 0 BCADHM C[C@@H]1CN(C(=O)c2ncccc2[O-])[C@@H](C)CN1 ZINC000086467831 388102010 /nfs/dbraw/zinc/10/20/10/388102010.db2.gz GYFFFLSZGNBWLR-BDAKNGLRSA-N -1 3 235.287 0.610 20 0 BCADHM CC1(C)C[C@@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646269177 388173919 /nfs/dbraw/zinc/17/39/19/388173919.db2.gz KJONOEUMSFZUSC-RXMQYKEDSA-N -1 3 220.236 0.437 20 0 BCADHM O=C(CC1CCCC1)[N-]c1nnc2[nH]cnn12 ZINC000646269158 388173946 /nfs/dbraw/zinc/17/39/46/388173946.db2.gz JGIQBUZDXIGUJK-UHFFFAOYSA-N -1 3 234.263 0.971 20 0 BCADHM C=CC(=O)NCCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000490757108 388252926 /nfs/dbraw/zinc/25/29/26/388252926.db2.gz IPCFCKPGFHATMB-ZETCQYMHSA-N -1 3 241.316 0.286 20 0 BCADHM Cc1ccc([O-])c(CN2CC(=O)N[C@H](C)C2)n1 ZINC000449525236 388224301 /nfs/dbraw/zinc/22/43/01/388224301.db2.gz QWSMXECSFIFKMF-SECBINFHSA-N -1 3 235.287 0.416 20 0 BCADHM C[C@@H](C[S@](C)=O)NC(=O)c1ccccc1[O-] ZINC000164339246 388231842 /nfs/dbraw/zinc/23/18/42/388231842.db2.gz GUBWCTOANVQADG-ZKANADHPSA-N -1 3 241.312 0.889 20 0 BCADHM CO[C@@H]1CN(Cc2nc(C)ccc2[O-])C[C@H]1O ZINC000449570610 388235780 /nfs/dbraw/zinc/23/57/80/388235780.db2.gz HSPYRMIPAAFDPR-VXGBXAGGSA-N -1 3 238.287 0.287 20 0 BCADHM Cc1ccc(C(=O)NC[C@](C)(O)CO)c([O-])c1 ZINC000090285013 256580995 /nfs/dbraw/zinc/58/09/95/256580995.db2.gz DHUHULBBXLFQBX-LBPRGKRZSA-N -1 3 239.271 0.174 20 0 BCADHM CSCCO[N-]C(=O)/C=C\c1ccncn1 ZINC000492023592 388332095 /nfs/dbraw/zinc/33/20/95/388332095.db2.gz ZIEVABXXBAQIMF-IHWYPQMZSA-N -1 3 239.300 0.901 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@@H](O)C1CCC1 ZINC000451526584 388278853 /nfs/dbraw/zinc/27/88/53/388278853.db2.gz IDCAIIVMLLRBFB-NSHDSACASA-N -1 3 236.271 0.564 20 0 BCADHM CC[C@H](CO)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492397917 388343564 /nfs/dbraw/zinc/34/35/64/388343564.db2.gz KTRCQLJKQHDPHN-UMBAGQNISA-N -1 3 236.271 0.688 20 0 BCADHM CCN(C)C(=O)[C@H](C)[N-]C(=O)C(F)F ZINC000233429109 388345892 /nfs/dbraw/zinc/34/58/92/388345892.db2.gz HAJDMDFUDXAVBB-YFKPBYRVSA-N -1 3 208.208 0.235 20 0 BCADHM CN(CCCCO)C(=O)c1ccc2n[n-]nc2c1 ZINC000276379470 388348292 /nfs/dbraw/zinc/34/82/92/388348292.db2.gz DCPWFXVUQZNXRL-UHFFFAOYSA-N -1 3 248.286 0.802 20 0 BCADHM CC(=O)N1CCN(Cc2nc(C)ccc2[O-])CC1 ZINC000131777427 388351749 /nfs/dbraw/zinc/35/17/49/388351749.db2.gz XCNDWHSJYSRVQA-UHFFFAOYSA-N -1 3 249.314 0.760 20 0 BCADHM CC(F)(F)CNC(=O)c1cc(=O)[n-]cn1 ZINC000627534731 388352349 /nfs/dbraw/zinc/35/23/49/388352349.db2.gz NKZRMFPXFVNASQ-UHFFFAOYSA-N -1 3 217.175 0.567 20 0 BCADHM C[C@@]1(O)CCN(c2ccncc2C(=O)[O-])C1 ZINC000235390965 388368541 /nfs/dbraw/zinc/36/85/41/388368541.db2.gz GNOZAOVJIFYGEO-LLVKDONJSA-N -1 3 222.244 0.741 20 0 BCADHM O=C(N[C@@H]1CCOC1)c1ccc2n[n-]nc2c1 ZINC000179185628 256668079 /nfs/dbraw/zinc/66/80/79/256668079.db2.gz OWRAPAMLBWTXBZ-MRVPVSSYSA-N -1 3 232.243 0.477 20 0 BCADHM O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1cccc2nn[n-]c21 ZINC000526028342 388454884 /nfs/dbraw/zinc/45/48/84/388454884.db2.gz MBBDCVJCUXZNNW-MBTKJCJQSA-N -1 3 244.254 0.333 20 0 BCADHM O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1cccc2[n-]nnc21 ZINC000526028342 388454886 /nfs/dbraw/zinc/45/48/86/388454886.db2.gz MBBDCVJCUXZNNW-MBTKJCJQSA-N -1 3 244.254 0.333 20 0 BCADHM O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1cccc2n[n-]nc21 ZINC000526028342 388454887 /nfs/dbraw/zinc/45/48/87/388454887.db2.gz MBBDCVJCUXZNNW-MBTKJCJQSA-N -1 3 244.254 0.333 20 0 BCADHM C[C@@H]1CC[C@@H](O)CN1C(=O)c1csc(=O)[n-]1 ZINC000649201130 388457311 /nfs/dbraw/zinc/45/73/11/388457311.db2.gz WINZQVWLBXEYMB-RNFRBKRXSA-N -1 3 242.300 0.834 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1C[C@H](O)C2(CC2)C1 ZINC000573137126 388424541 /nfs/dbraw/zinc/42/45/41/388424541.db2.gz FKWIMAGNTRATMX-NSHDSACASA-N -1 3 248.282 0.313 20 0 BCADHM C[C@H](C(=O)Nc1nnn[n-]1)N1CCCCCC1 ZINC000175487919 388432806 /nfs/dbraw/zinc/43/28/06/388432806.db2.gz CFHUOFXIIYBZCU-MRVPVSSYSA-N -1 3 238.295 0.403 20 0 BCADHM C[C@H](C(=O)Nc1nn[n-]n1)N1CCCCCC1 ZINC000175487919 388432809 /nfs/dbraw/zinc/43/28/09/388432809.db2.gz CFHUOFXIIYBZCU-MRVPVSSYSA-N -1 3 238.295 0.403 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCCCCCO ZINC000564351578 388540340 /nfs/dbraw/zinc/54/03/40/388540340.db2.gz POMGCWBUHZLRMS-UHFFFAOYSA-N -1 3 238.287 0.609 20 0 BCADHM O=S(=O)([N-]CC12CC(C1)CO2)c1ccco1 ZINC000528529089 388543520 /nfs/dbraw/zinc/54/35/20/388543520.db2.gz ONIXXXFTPCQZBY-UHFFFAOYSA-N -1 3 243.284 0.737 20 0 BCADHM O=S(=O)([N-]CC1COC1)c1ccccc1F ZINC000528565540 388547478 /nfs/dbraw/zinc/54/74/78/388547478.db2.gz QWTOJFQSWRXDKY-UHFFFAOYSA-N -1 3 245.275 0.750 20 0 BCADHM CN(Cc1nc[nH]n1)C(=O)c1ccccc1[O-] ZINC000078007108 388485642 /nfs/dbraw/zinc/48/56/42/388485642.db2.gz HCEZQZCERKZVHY-UHFFFAOYSA-N -1 3 232.243 0.783 20 0 BCADHM CN(Cc1nnc[nH]1)C(=O)c1ccccc1[O-] ZINC000078007108 388485644 /nfs/dbraw/zinc/48/56/44/388485644.db2.gz HCEZQZCERKZVHY-UHFFFAOYSA-N -1 3 232.243 0.783 20 0 BCADHM CC[C@@]1(C)CN(Cc2nc(=O)[n-][nH]2)CCO1 ZINC000135613849 388502329 /nfs/dbraw/zinc/50/23/29/388502329.db2.gz NXDVOQRRYFRVIP-JTQLQIEISA-N -1 3 226.280 0.099 20 0 BCADHM CCN(C)S(=O)(=O)[N-]CC(C)(F)F ZINC000378791521 388505566 /nfs/dbraw/zinc/50/55/66/388505566.db2.gz MYDXOFDRSFDUID-UHFFFAOYSA-N -1 3 216.253 0.428 20 0 BCADHM [O-]c1cccnc1CN1CCc2nn[nH]c2C1 ZINC000516781273 388517202 /nfs/dbraw/zinc/51/72/02/388517202.db2.gz GGYMZCIVJLJRSM-UHFFFAOYSA-N -1 3 231.259 0.464 20 0 BCADHM [O-]c1cccnc1CN1CCc2n[nH]nc2C1 ZINC000516781273 388517205 /nfs/dbraw/zinc/51/72/05/388517205.db2.gz GGYMZCIVJLJRSM-UHFFFAOYSA-N -1 3 231.259 0.464 20 0 BCADHM C[C@]1(O)CCN(Cc2ncccc2[O-])C1 ZINC000516894117 388522459 /nfs/dbraw/zinc/52/24/59/388522459.db2.gz PKZXMJAWCCOVLE-NSHDSACASA-N -1 3 208.261 0.744 20 0 BCADHM C[C@@]1(O)CCN(Cc2ncccc2[O-])C1 ZINC000516894116 388522642 /nfs/dbraw/zinc/52/26/42/388522642.db2.gz PKZXMJAWCCOVLE-LLVKDONJSA-N -1 3 208.261 0.744 20 0 BCADHM CC1(C)CC(CNC(=O)c2c[n-]nn2)C1 ZINC000548408485 388534102 /nfs/dbraw/zinc/53/41/02/388534102.db2.gz FKMKJEOVDRYTDT-UHFFFAOYSA-N -1 3 208.265 0.971 20 0 BCADHM CC1(C)CC(CNC(=O)c2cnn[n-]2)C1 ZINC000548408485 388534104 /nfs/dbraw/zinc/53/41/04/388534104.db2.gz FKMKJEOVDRYTDT-UHFFFAOYSA-N -1 3 208.265 0.971 20 0 BCADHM CC1(C)CC(CNC(=O)c2cn[n-]n2)C1 ZINC000548408485 388534106 /nfs/dbraw/zinc/53/41/06/388534106.db2.gz FKMKJEOVDRYTDT-UHFFFAOYSA-N -1 3 208.265 0.971 20 0 BCADHM CCC[C@H](NC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000261575832 135216770 /nfs/dbraw/zinc/21/67/70/135216770.db2.gz JXIMDPFGAGYFHN-VIFPVBQESA-N -1 3 230.308 0.696 20 0 BCADHM CN(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000106363850 388595298 /nfs/dbraw/zinc/59/52/98/388595298.db2.gz ZDLTWLBQCUYNHO-SNVBAGLBSA-N -1 3 249.314 0.953 20 0 BCADHM COc1cnc(NC(=O)c2cnn[n-]2)s1 ZINC000550239992 388602745 /nfs/dbraw/zinc/60/27/45/388602745.db2.gz VIFQXWMVNYXWQM-UHFFFAOYSA-N -1 3 225.233 0.522 20 0 BCADHM COc1cnc(NC(=O)c2c[n-]nn2)s1 ZINC000550239992 388602747 /nfs/dbraw/zinc/60/27/47/388602747.db2.gz VIFQXWMVNYXWQM-UHFFFAOYSA-N -1 3 225.233 0.522 20 0 BCADHM COc1cnc(NC(=O)c2cn[n-]n2)s1 ZINC000550239992 388602749 /nfs/dbraw/zinc/60/27/49/388602749.db2.gz VIFQXWMVNYXWQM-UHFFFAOYSA-N -1 3 225.233 0.522 20 0 BCADHM Cn1ccc(CNC(=O)c2c([O-])cccc2O)n1 ZINC000220259596 388603080 /nfs/dbraw/zinc/60/30/80/388603080.db2.gz JXRYZJBPEMLENO-UHFFFAOYSA-N -1 3 247.254 0.761 20 0 BCADHM COc1ccc(C(=O)NCC2COC2)c([O-])c1 ZINC000530113808 388610399 /nfs/dbraw/zinc/61/03/99/388610399.db2.gz REFZIOXEPKMSCY-UHFFFAOYSA-N -1 3 237.255 0.777 20 0 BCADHM CC(C)(C)OCCN=c1ncnc2[nH][n-]cc1-2 ZINC000521205007 388564448 /nfs/dbraw/zinc/56/44/48/388564448.db2.gz CLVCTWJZCMTGKJ-UHFFFAOYSA-N -1 3 235.291 0.953 20 0 BCADHM C[C@@H](O)C[C@@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000621950226 388686721 /nfs/dbraw/zinc/68/67/21/388686721.db2.gz LPLHCWSUGAJKFT-RNFRBKRXSA-N -1 3 242.250 0.816 20 0 BCADHM CO[C@@H](C)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000189615561 388639522 /nfs/dbraw/zinc/63/95/22/388639522.db2.gz KWBIWMZQXIHJSS-NWALNABHSA-N -1 3 236.271 0.952 20 0 BCADHM CC(C)C1(NCc2nc(=O)n(C)[n-]2)CC1 ZINC000328857162 388647784 /nfs/dbraw/zinc/64/77/84/388647784.db2.gz KLHSXEJTLXRVIU-UHFFFAOYSA-N -1 3 210.281 0.387 20 0 BCADHM O=C(NCc1nc[nH]n1)c1ccccc1[O-] ZINC000037921115 388650583 /nfs/dbraw/zinc/65/05/83/388650583.db2.gz KKUXSYUHMDVUTO-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM O=C(NCc1nnc[nH]1)c1ccccc1[O-] ZINC000037921115 388650584 /nfs/dbraw/zinc/65/05/84/388650584.db2.gz KKUXSYUHMDVUTO-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM Cn1ccc(CNC(=O)c2c[n-]nn2)c1 ZINC000223656816 388657044 /nfs/dbraw/zinc/65/70/44/388657044.db2.gz SNAJPSKUQGETJY-UHFFFAOYSA-N -1 3 205.221 0.073 20 0 BCADHM Cn1ccc(CNC(=O)c2cnn[n-]2)c1 ZINC000223656816 388657046 /nfs/dbraw/zinc/65/70/46/388657046.db2.gz SNAJPSKUQGETJY-UHFFFAOYSA-N -1 3 205.221 0.073 20 0 BCADHM Cn1ccc(CNC(=O)c2cn[n-]n2)c1 ZINC000223656816 388657049 /nfs/dbraw/zinc/65/70/49/388657049.db2.gz SNAJPSKUQGETJY-UHFFFAOYSA-N -1 3 205.221 0.073 20 0 BCADHM CC[C@H](COC)NC(=O)Cc1cncc([O-])c1 ZINC000553143493 388748997 /nfs/dbraw/zinc/74/89/97/388748997.db2.gz MUGIKVJDUYEXEV-SNVBAGLBSA-N -1 3 238.287 0.871 20 0 BCADHM c1nc(CN=c2ncnc3[nH][n-]cc2-3)co1 ZINC000390341467 388750952 /nfs/dbraw/zinc/75/09/52/388750952.db2.gz NBAYFMSBUWCKPP-UHFFFAOYSA-N -1 3 216.204 0.327 20 0 BCADHM C[C@@H](O)CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000193174074 388694810 /nfs/dbraw/zinc/69/48/10/388694810.db2.gz VCEIAIJBBXWQSQ-ZCFIWIBFSA-N -1 3 247.320 0.257 20 0 BCADHM C[C@@H](O)CS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000193174074 388694812 /nfs/dbraw/zinc/69/48/12/388694812.db2.gz VCEIAIJBBXWQSQ-ZCFIWIBFSA-N -1 3 247.320 0.257 20 0 BCADHM COc1nnc(NC(=O)c2cccnc2C)[n-]1 ZINC000126805393 388702966 /nfs/dbraw/zinc/70/29/66/388702966.db2.gz GHGGJOODBSIFBB-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nc(NC(=O)c2cccnc2C)n[n-]1 ZINC000126805393 388702967 /nfs/dbraw/zinc/70/29/67/388702967.db2.gz GHGGJOODBSIFBB-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1n[n-]c(NC(=O)c2cccnc2C)n1 ZINC000126805393 388702969 /nfs/dbraw/zinc/70/29/69/388702969.db2.gz GHGGJOODBSIFBB-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nnc(NC(=O)c2cscn2)[n-]1 ZINC000126816836 388705035 /nfs/dbraw/zinc/70/50/35/388705035.db2.gz AOMRAUNXYSYNAF-UHFFFAOYSA-N -1 3 225.233 0.522 20 0 BCADHM COc1nc(NC(=O)c2cscn2)n[n-]1 ZINC000126816836 388705037 /nfs/dbraw/zinc/70/50/37/388705037.db2.gz AOMRAUNXYSYNAF-UHFFFAOYSA-N -1 3 225.233 0.522 20 0 BCADHM COc1n[n-]c(NC(=O)c2cscn2)n1 ZINC000126816836 388705038 /nfs/dbraw/zinc/70/50/38/388705038.db2.gz AOMRAUNXYSYNAF-UHFFFAOYSA-N -1 3 225.233 0.522 20 0 BCADHM O=C(NCC[C@H]1CCCO1)c1cc(=O)[n-]cn1 ZINC000623736580 388732897 /nfs/dbraw/zinc/73/28/97/388732897.db2.gz BKSGORNGXIKZMZ-MRVPVSSYSA-N -1 3 237.259 0.481 20 0 BCADHM CN(c1nc2[nH][n-]cc-2c(=N)n1)[C@H]1CCCOC1 ZINC000553262034 388759136 /nfs/dbraw/zinc/75/91/36/388759136.db2.gz FKTYLAJGAMEAPC-ZETCQYMHSA-N -1 3 248.290 0.332 20 0 BCADHM Cn1ccnc1CNC(=O)c1c([O-])cccc1O ZINC000228856157 388776131 /nfs/dbraw/zinc/77/61/31/388776131.db2.gz AYCPANUPKKCDHW-UHFFFAOYSA-N -1 3 247.254 0.761 20 0 BCADHM O=C(NCc1nnc[nH]1)c1c([O-])cccc1F ZINC000228870324 388776376 /nfs/dbraw/zinc/77/63/76/388776376.db2.gz HDTVLBDADNYYDS-UHFFFAOYSA-N -1 3 236.206 0.579 20 0 BCADHM CC[C@H](O)CNC(=O)c1cccc2nn[n-]c21 ZINC000553801472 388791002 /nfs/dbraw/zinc/79/10/02/388791002.db2.gz ZPKZJWCHSGZBHP-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM CC[C@H](O)CNC(=O)c1cccc2[n-]nnc21 ZINC000553801472 388791003 /nfs/dbraw/zinc/79/10/03/388791003.db2.gz ZPKZJWCHSGZBHP-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM CC[C@H](O)CNC(=O)c1cccc2n[n-]nc21 ZINC000553801472 388791005 /nfs/dbraw/zinc/79/10/05/388791005.db2.gz ZPKZJWCHSGZBHP-ZETCQYMHSA-N -1 3 234.259 0.459 20 0 BCADHM C[C@@H]1C[C@H]1c1cc(NC(=O)c2cnn[n-]2)n[nH]1 ZINC000194544016 388816637 /nfs/dbraw/zinc/81/66/37/388816637.db2.gz ILDIITXFELCLRK-PHDIDXHHSA-N -1 3 232.247 0.904 20 0 BCADHM C[C@@H]1C[C@H]1c1cc(NC(=O)c2c[n-]nn2)n[nH]1 ZINC000194544016 388816642 /nfs/dbraw/zinc/81/66/42/388816642.db2.gz ILDIITXFELCLRK-PHDIDXHHSA-N -1 3 232.247 0.904 20 0 BCADHM C[C@@H]1C[C@H]1c1cc(NC(=O)c2cn[n-]n2)n[nH]1 ZINC000194544016 388816648 /nfs/dbraw/zinc/81/66/48/388816648.db2.gz ILDIITXFELCLRK-PHDIDXHHSA-N -1 3 232.247 0.904 20 0 BCADHM O=C(NCc1ccc2c(c1)CCO2)c1c[n-]nn1 ZINC000523512956 388844194 /nfs/dbraw/zinc/84/41/94/388844194.db2.gz TXSSWINDSCOWAA-UHFFFAOYSA-N -1 3 244.254 0.670 20 0 BCADHM O=C(NCc1ccc2c(c1)CCO2)c1cnn[n-]1 ZINC000523512956 388844196 /nfs/dbraw/zinc/84/41/96/388844196.db2.gz TXSSWINDSCOWAA-UHFFFAOYSA-N -1 3 244.254 0.670 20 0 BCADHM O=C(NCc1ccc2c(c1)CCO2)c1cn[n-]n1 ZINC000523512956 388844198 /nfs/dbraw/zinc/84/41/98/388844198.db2.gz TXSSWINDSCOWAA-UHFFFAOYSA-N -1 3 244.254 0.670 20 0 BCADHM CN(CCN1CCCC1=O)Cc1ncccc1[O-] ZINC000554856556 388832575 /nfs/dbraw/zinc/83/25/75/388832575.db2.gz XLCUPFQWWMNNKS-UHFFFAOYSA-N -1 3 249.314 0.841 20 0 BCADHM CCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000523688489 388852870 /nfs/dbraw/zinc/85/28/70/388852870.db2.gz BXDXZXDOLAORFR-MRVPVSSYSA-N -1 3 211.265 0.415 20 0 BCADHM CCCN(C)S(=O)(=O)[N-]CC(C)(F)F ZINC000555407116 388848493 /nfs/dbraw/zinc/84/84/93/388848493.db2.gz QSHLISMSPOOCAG-UHFFFAOYSA-N -1 3 230.280 0.818 20 0 BCADHM CCC[C@H](C)[C@H](CO)NC(=O)c1cnn[n-]1 ZINC000564660926 388884070 /nfs/dbraw/zinc/88/40/70/388884070.db2.gz BLFNMTBBEFMMQK-CBAPKCEASA-N -1 3 226.280 0.332 20 0 BCADHM CCC[C@H](C)[C@H](CO)NC(=O)c1cn[n-]n1 ZINC000564660926 388884071 /nfs/dbraw/zinc/88/40/71/388884071.db2.gz BLFNMTBBEFMMQK-CBAPKCEASA-N -1 3 226.280 0.332 20 0 BCADHM CCC[C@H](C)[C@H](CO)NC(=O)c1c[n-]nn1 ZINC000564660926 388884066 /nfs/dbraw/zinc/88/40/66/388884066.db2.gz BLFNMTBBEFMMQK-CBAPKCEASA-N -1 3 226.280 0.332 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)COC(C)C ZINC000565162853 388920136 /nfs/dbraw/zinc/92/01/36/388920136.db2.gz LRLZHNHJIBMARC-UHFFFAOYSA-N -1 3 241.247 0.560 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)COC(C)C ZINC000565162853 388920138 /nfs/dbraw/zinc/92/01/38/388920138.db2.gz LRLZHNHJIBMARC-UHFFFAOYSA-N -1 3 241.247 0.560 20 0 BCADHM C[C@@H](O)CCCNC(=O)c1cccc2nn[n-]c21 ZINC000565872858 388975113 /nfs/dbraw/zinc/97/51/13/388975113.db2.gz LIELCURXBSHLSD-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM C[C@@H](O)CCCNC(=O)c1cccc2n[n-]nc21 ZINC000565872858 388975118 /nfs/dbraw/zinc/97/51/18/388975118.db2.gz LIELCURXBSHLSD-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM C[C@@H](O)CCCNC(=O)c1cccc2[n-]nnc21 ZINC000565872858 388975115 /nfs/dbraw/zinc/97/51/15/388975115.db2.gz LIELCURXBSHLSD-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM CCN(CCOCC(=O)[O-])C[C@@H]1CCCO1 ZINC000565956229 388981463 /nfs/dbraw/zinc/98/14/63/388981463.db2.gz DBUAULMSKNGCFI-JTQLQIEISA-N -1 3 231.292 0.589 20 0 BCADHM C[C@H](NCc1nc(=O)[n-][nH]1)c1cccc(O)c1 ZINC000271849488 389024958 /nfs/dbraw/zinc/02/49/58/389024958.db2.gz WBJBDSKQBVKLRU-ZETCQYMHSA-N -1 3 234.259 0.654 20 0 BCADHM C[C@@H](O)CN(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000493799305 533639803 /nfs/dbraw/zinc/63/98/03/533639803.db2.gz XRUQRIQYZXOFOP-ZBJFTSOASA-N -1 3 236.271 0.640 20 0 BCADHM O=c1nc(CN2C[C@H](O)Cc3ccccc32)[nH][n-]1 ZINC000278802290 132208048 /nfs/dbraw/zinc/20/80/48/132208048.db2.gz FWPUPWKDWJWFSS-SECBINFHSA-N -1 3 246.270 0.022 20 0 BCADHM C[C@H]1OCCN(c2nc3[nH][n-]cc-3c(=N)n2)[C@@H]1C ZINC000354571493 132269767 /nfs/dbraw/zinc/26/97/67/132269767.db2.gz PZSQIMDKJLPNOG-RNFRBKRXSA-N -1 3 248.290 0.331 20 0 BCADHM C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccncc1[O-] ZINC000408331514 133470894 /nfs/dbraw/zinc/47/08/94/133470894.db2.gz NVCQQEUXLZMMPZ-IUCAKERBSA-N -1 3 236.271 0.963 20 0 BCADHM C[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1F ZINC000335948555 134021073 /nfs/dbraw/zinc/02/10/73/134021073.db2.gz NQIOXGJQGHGRIG-UHFFFAOYSA-N -1 3 246.263 0.692 20 0 BCADHM CCCCS(=O)(=O)[N-]CC(F)F ZINC000173809025 134277579 /nfs/dbraw/zinc/27/75/79/134277579.db2.gz ZQNGGNKDQSVSED-UHFFFAOYSA-N -1 3 201.238 0.971 20 0 BCADHM Cc1nc(CNC(=O)c2c[n-]nn2)sc1C ZINC000175317952 134285200 /nfs/dbraw/zinc/28/52/00/134285200.db2.gz CFQZLISRQBTLDF-UHFFFAOYSA-N -1 3 237.288 0.808 20 0 BCADHM Cc1nc(CNC(=O)c2cnn[n-]2)sc1C ZINC000175317952 134285201 /nfs/dbraw/zinc/28/52/01/134285201.db2.gz CFQZLISRQBTLDF-UHFFFAOYSA-N -1 3 237.288 0.808 20 0 BCADHM Cc1nc(CNC(=O)c2cn[n-]n2)sc1C ZINC000175317952 134285202 /nfs/dbraw/zinc/28/52/02/134285202.db2.gz CFQZLISRQBTLDF-UHFFFAOYSA-N -1 3 237.288 0.808 20 0 BCADHM Cc1ccc(C(=O)N[C@@H]2CNC(=O)C2)c([O-])c1 ZINC000226712279 134370675 /nfs/dbraw/zinc/37/06/75/134370675.db2.gz VCNDNNWSUNPOCN-QMMMGPOBSA-N -1 3 234.255 0.319 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2CNC(=O)C2)c([O-])c1 ZINC000226712287 134370898 /nfs/dbraw/zinc/37/08/98/134370898.db2.gz VCNDNNWSUNPOCN-MRVPVSSYSA-N -1 3 234.255 0.319 20 0 BCADHM CN1CCCN(C(=O)c2ccccc2[O-])CC1=O ZINC000189802351 134554095 /nfs/dbraw/zinc/55/40/95/134554095.db2.gz MOAAEYLSNHGDOH-UHFFFAOYSA-N -1 3 248.282 0.697 20 0 BCADHM C[C@H](CC(N)=O)NC(=O)c1cccc([O-])c1 ZINC000163677286 135044792 /nfs/dbraw/zinc/04/47/92/135044792.db2.gz KVXCSYSSCCTNOO-SSDOTTSWSA-N -1 3 222.244 0.386 20 0 BCADHM Cn1cc(C(=O)Nc2ncccc2[O-])ccc1=O ZINC000077657982 135072088 /nfs/dbraw/zinc/07/20/88/135072088.db2.gz KIKRJFIDGLOZEK-UHFFFAOYSA-N -1 3 245.238 0.738 20 0 BCADHM O=S(=O)(Cc1ccon1)[N-]Cc1ccco1 ZINC000078050712 135091356 /nfs/dbraw/zinc/09/13/56/135091356.db2.gz KYCYEKIDNSXDPP-UHFFFAOYSA-N -1 3 242.256 0.887 20 0 BCADHM O=S(=O)([N-][C@@H]1CCOC1)c1ccccc1F ZINC000087784882 135170065 /nfs/dbraw/zinc/17/00/65/135170065.db2.gz UORDZGIACPFXIF-MRVPVSSYSA-N -1 3 245.275 0.893 20 0 BCADHM C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000261587943 135228486 /nfs/dbraw/zinc/22/84/86/135228486.db2.gz RZKYSMUZHJKDOT-HRDYMLBCSA-N -1 3 228.292 0.449 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CC(=O)[O-] ZINC000261589009 135229123 /nfs/dbraw/zinc/22/91/23/135229123.db2.gz STLHHVLBQPUHCO-RKDXNWHRSA-N -1 3 228.292 0.402 20 0 BCADHM CC[C@@H](C(=O)N(C)CC(=O)[O-])N(CC)CC ZINC000261595771 135235969 /nfs/dbraw/zinc/23/59/69/135235969.db2.gz YLDRLVPAXRAODH-VIFPVBQESA-N -1 3 230.308 0.650 20 0 BCADHM C[C@@H]1CCC[C@@H](N(C)CC(=O)NCC(=O)[O-])C1 ZINC000262147460 135282370 /nfs/dbraw/zinc/28/23/70/135282370.db2.gz AGTAOWVAOQFHJR-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM C[C@@H]1CCCN(CC(=O)NCC(=O)[O-])CC1 ZINC000262170966 135283903 /nfs/dbraw/zinc/28/39/03/135283903.db2.gz DFGVUXHTVHYMRY-SECBINFHSA-N -1 3 228.292 0.309 20 0 BCADHM CC(C)CCN(CC(=O)NCC(=O)[O-])C1CC1 ZINC000262180785 135284758 /nfs/dbraw/zinc/28/47/58/135284758.db2.gz FNLMZBRFELIMHA-UHFFFAOYSA-N -1 3 242.319 0.698 20 0 BCADHM O=C([O-])CNC(=O)CN1CCC[C@H]1C1CCC1 ZINC000262190384 135285036 /nfs/dbraw/zinc/28/50/36/135285036.db2.gz GRFWWYQHHFNKFM-JTQLQIEISA-N -1 3 240.303 0.452 20 0 BCADHM COC[C@H]1CCCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000342564021 135289880 /nfs/dbraw/zinc/28/98/80/135289880.db2.gz FBSWKUTUOOVWON-VIFPVBQESA-N -1 3 240.307 0.759 20 0 BCADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CCNC2=O)c1 ZINC000334224960 135329961 /nfs/dbraw/zinc/32/99/61/135329961.db2.gz HPNDGYCKBGDLOG-SNVBAGLBSA-N -1 3 248.282 0.661 20 0 BCADHM CCCS(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000343094894 135352844 /nfs/dbraw/zinc/35/28/44/135352844.db2.gz HIPURSOYWYYDJK-UHFFFAOYSA-N -1 3 245.304 0.776 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC2(C)COC2)o1 ZINC000334358074 135370110 /nfs/dbraw/zinc/37/01/10/135370110.db2.gz RSQZMCOKNUNIGH-UHFFFAOYSA-N -1 3 245.300 0.903 20 0 BCADHM COC(C)(C)C(=O)NCc1cnc(C)[n-]c1=O ZINC000345132895 135887808 /nfs/dbraw/zinc/88/78/08/135887808.db2.gz SIHTWGNHJRXSRV-UHFFFAOYSA-N -1 3 239.275 0.532 20 0 BCADHM CCc1ccc([O-])c(C(=O)N2CC(=O)N(C)C2)c1 ZINC000335323986 136051076 /nfs/dbraw/zinc/05/10/76/136051076.db2.gz UWXNDOFZBHJSDB-UHFFFAOYSA-N -1 3 248.282 0.826 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)n1 ZINC000335395979 136092591 /nfs/dbraw/zinc/09/25/91/136092591.db2.gz DXPBNAZMBZAHRY-HTQZYQBOSA-N -1 3 247.295 0.589 20 0 BCADHM CN(C)CC(C)(C)NS(=O)(=O)c1ncc[n-]1 ZINC000308686676 397836741 /nfs/dbraw/zinc/83/67/41/397836741.db2.gz DEWZQGBTXLESGN-UHFFFAOYSA-N -1 3 246.336 0.028 20 0 BCADHM CSCCCNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268614434 397951951 /nfs/dbraw/zinc/95/19/51/397951951.db2.gz CCFWVYPQHSUPJE-UHFFFAOYSA-N -1 3 241.316 0.974 20 0 BCADHM CO[N-]C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000306635453 397962549 /nfs/dbraw/zinc/96/25/49/397962549.db2.gz ZWJKIAVZFUVIMV-UHFFFAOYSA-N -1 3 247.048 0.841 20 0 BCADHM CC(C)c1noc([C@H]2CCS(=O)(=O)[N-]2)n1 ZINC000650217502 397991738 /nfs/dbraw/zinc/99/17/38/397991738.db2.gz JBQIGVOSWFAOFP-ZCFIWIBFSA-N -1 3 231.277 0.557 20 0 BCADHM CCN(CC)S(=O)(=O)[N-]c1cncnc1 ZINC000274294605 398008069 /nfs/dbraw/zinc/00/80/69/398008069.db2.gz PRRNZLXYAOHSBA-UHFFFAOYSA-N -1 3 230.293 0.475 20 0 BCADHM CC1(C(=O)NCCCc2cc(=O)[nH][n-]2)CC1 ZINC000647717612 398009946 /nfs/dbraw/zinc/00/99/46/398009946.db2.gz LPAJJPGQXCHMBQ-UHFFFAOYSA-N -1 3 223.276 0.559 20 0 BCADHM O=C1[N-]C(=O)N2CCN([C@H]3C=CCCC3)C[C@H]12 ZINC000540911735 398027603 /nfs/dbraw/zinc/02/76/03/398027603.db2.gz QEUALPQEJFVSHG-VHSXEESVSA-N -1 3 235.287 0.331 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCCN(C(=O)OC)C1 ZINC000491226946 398033861 /nfs/dbraw/zinc/03/38/61/398033861.db2.gz YNOFFDRFFOJLHI-QMMMGPOBSA-N -1 3 230.264 0.533 20 0 BCADHM CCN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCCOC1 ZINC000649755435 398085939 /nfs/dbraw/zinc/08/59/39/398085939.db2.gz NXYTUMGWWXZFMO-VIFPVBQESA-N -1 3 240.307 0.109 20 0 BCADHM O=c1[n-]c(CNC2(C3CCC3)CC2)n[nH]1 ZINC000649810745 398117793 /nfs/dbraw/zinc/11/77/93/398117793.db2.gz XJFCPJROFDLRPA-UHFFFAOYSA-N -1 3 208.265 0.933 20 0 BCADHM CN(C)C(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000042163612 172365311 /nfs/dbraw/zinc/36/53/11/172365311.db2.gz HMFZCHXSGHPXOG-MRVPVSSYSA-N -1 3 214.265 0.014 20 0 BCADHM CNC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000038027658 173274284 /nfs/dbraw/zinc/27/42/84/173274284.db2.gz UWFDJNVHVDXJQJ-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM C[C@@H]([N-]S(C)(=O)=O)c1nc(C2CCC2)no1 ZINC000680692081 487557822 /nfs/dbraw/zinc/55/78/22/487557822.db2.gz PEXWIBDVAKXZGS-ZCFIWIBFSA-N -1 3 245.304 0.947 20 0 BCADHM C[C@H](CN(C)c1cnccn1)c1nnn[n-]1 ZINC000095244193 487572826 /nfs/dbraw/zinc/57/28/26/487572826.db2.gz KTGOLCKTGNJLDP-SSDOTTSWSA-N -1 3 219.252 0.230 20 0 BCADHM C[C@H](CN(C)c1cnccn1)c1nn[n-]n1 ZINC000095244193 487572828 /nfs/dbraw/zinc/57/28/28/487572828.db2.gz KTGOLCKTGNJLDP-SSDOTTSWSA-N -1 3 219.252 0.230 20 0 BCADHM Cc1cc(C)nc(SCCc2nnn[n-]2)n1 ZINC000095211591 487572833 /nfs/dbraw/zinc/57/28/33/487572833.db2.gz RKIQOLSHTSHPPC-UHFFFAOYSA-N -1 3 236.304 0.941 20 0 BCADHM Cc1cc(C)nc(SCCc2nn[n-]n2)n1 ZINC000095211591 487572836 /nfs/dbraw/zinc/57/28/36/487572836.db2.gz RKIQOLSHTSHPPC-UHFFFAOYSA-N -1 3 236.304 0.941 20 0 BCADHM O=C([O-])c1cnccc1N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228043279 487577569 /nfs/dbraw/zinc/57/75/69/487577569.db2.gz WGNXIDFTOYOKNN-MKPLZMMCSA-N -1 3 248.282 0.987 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cccc2n[nH]nc21 ZINC000074852910 487584889 /nfs/dbraw/zinc/58/48/89/487584889.db2.gz FCLXZLZGZXNLQS-UHFFFAOYSA-N -1 3 241.276 0.176 20 0 BCADHM CO[C@](C)(CO)CNC(=O)c1ccccc1[O-] ZINC000655207995 409526386 /nfs/dbraw/zinc/52/63/86/409526386.db2.gz IDRCHVTWEPYFAG-LBPRGKRZSA-N -1 3 239.271 0.519 20 0 BCADHM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CC1(C)C ZINC000662345658 409660667 /nfs/dbraw/zinc/66/06/67/409660667.db2.gz KKACYTVIMQCLDS-SSDOTTSWSA-N -1 3 210.281 0.988 20 0 BCADHM COC[C@@H](CC(C)(C)C)NC(=O)c1c[n-]nn1 ZINC000655301273 409880444 /nfs/dbraw/zinc/88/04/44/409880444.db2.gz BNRKVTNANRUKJU-MRVPVSSYSA-N -1 3 240.307 0.986 20 0 BCADHM COC[C@@H](CC(C)(C)C)NC(=O)c1cnn[n-]1 ZINC000655301273 409880454 /nfs/dbraw/zinc/88/04/54/409880454.db2.gz BNRKVTNANRUKJU-MRVPVSSYSA-N -1 3 240.307 0.986 20 0 BCADHM COC[C@@H](CC(C)(C)C)NC(=O)c1cn[n-]n1 ZINC000655301273 409880458 /nfs/dbraw/zinc/88/04/58/409880458.db2.gz BNRKVTNANRUKJU-MRVPVSSYSA-N -1 3 240.307 0.986 20 0 BCADHM CC(C)OCCNC(=O)Cc1cncc([O-])c1 ZINC000655392883 410195398 /nfs/dbraw/zinc/19/53/98/410195398.db2.gz DFGIFTXXBWUYDE-UHFFFAOYSA-N -1 3 238.287 0.871 20 0 BCADHM CNCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000650787522 410433450 /nfs/dbraw/zinc/43/34/50/410433450.db2.gz VXQLULOTZBQRTD-MRVPVSSYSA-N -1 3 230.308 0.602 20 0 BCADHM CC(C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104133412 167088639 /nfs/dbraw/zinc/08/86/39/167088639.db2.gz QRLJNGWZKAANKA-UHFFFAOYSA-N -1 3 232.239 0.708 20 0 BCADHM CC(C)OCCCCNC(=O)c1c[n-]nn1 ZINC000183325842 167207350 /nfs/dbraw/zinc/20/73/50/167207350.db2.gz FAJYUFSBJFWFBE-UHFFFAOYSA-N -1 3 226.280 0.740 20 0 BCADHM CC(C)OCCCCNC(=O)c1cnn[n-]1 ZINC000183325842 167207352 /nfs/dbraw/zinc/20/73/52/167207352.db2.gz FAJYUFSBJFWFBE-UHFFFAOYSA-N -1 3 226.280 0.740 20 0 BCADHM CC(C)OCCCCNC(=O)c1cn[n-]n1 ZINC000183325842 167207353 /nfs/dbraw/zinc/20/73/53/167207353.db2.gz FAJYUFSBJFWFBE-UHFFFAOYSA-N -1 3 226.280 0.740 20 0 BCADHM C[C@H](CCO)N(C)c1nc2nncc-2c(O)[n-]1 ZINC000651471305 411052403 /nfs/dbraw/zinc/05/24/03/411052403.db2.gz PIRDCCFORFQENZ-ZCFIWIBFSA-N -1 3 237.263 0.266 20 0 BCADHM C[C@@H](O)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000192498746 411067791 /nfs/dbraw/zinc/06/77/91/411067791.db2.gz QKDZKAGLFWZTLZ-SSDOTTSWSA-N -1 3 242.250 0.711 20 0 BCADHM O=C(CNC(=O)C1CC1)Nc1ccccc1[O-] ZINC000047470865 411121822 /nfs/dbraw/zinc/12/18/22/411121822.db2.gz INKUAFFVKFUYQU-UHFFFAOYSA-N -1 3 234.255 0.857 20 0 BCADHM CC[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCCO1 ZINC000653875688 411205590 /nfs/dbraw/zinc/20/55/90/411205590.db2.gz YIFROCNYFJAFEH-RKDXNWHRSA-N -1 3 240.307 0.948 20 0 BCADHM Cn1[n-]nnc1=N[C@H]1CCCN2CCCC[C@H]12 ZINC000656227434 411212815 /nfs/dbraw/zinc/21/28/15/411212815.db2.gz RCAIMELABDRUNE-VHSXEESVSA-N -1 3 236.323 0.061 20 0 BCADHM CCN1CCCC[C@H]1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000656231803 411215228 /nfs/dbraw/zinc/21/52/28/411215228.db2.gz OYDSPMKUTMXDDO-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CCCN(C)CC(=O)N(CC)[C@H](C)C(=O)[O-] ZINC000659773159 411228710 /nfs/dbraw/zinc/22/87/10/411228710.db2.gz VOPGASUPTGPNDV-SECBINFHSA-N -1 3 230.308 0.650 20 0 BCADHM O=C([O-])[C@@H]1COCCN1CC1CC=CC1 ZINC000659785781 411271292 /nfs/dbraw/zinc/27/12/92/411271292.db2.gz IJUSYWVPDZPMHQ-JTQLQIEISA-N -1 3 211.261 0.738 20 0 BCADHM COCc1ccc(C(=O)[N-]c2ncn(C)n2)o1 ZINC000356422290 411305686 /nfs/dbraw/zinc/30/56/86/411305686.db2.gz JSNNXFXWDVJFGO-UHFFFAOYSA-N -1 3 236.231 0.807 20 0 BCADHM CC[C@@H](NCc1nc(=O)n(C)[n-]1)C1CC1 ZINC000661762933 411308271 /nfs/dbraw/zinc/30/82/71/411308271.db2.gz XQNVPHMWUAIWDV-MRVPVSSYSA-N -1 3 210.281 0.387 20 0 BCADHM COc1cncc(C(=O)[N-]c2nocc2C)n1 ZINC000358178584 411309964 /nfs/dbraw/zinc/30/99/64/411309964.db2.gz HBYFFONJZGXAOC-UHFFFAOYSA-N -1 3 234.215 1.034 20 0 BCADHM c1nnc([N-]Cc2cc3n(n2)CCC3)o1 ZINC000656772139 411354373 /nfs/dbraw/zinc/35/43/73/411354373.db2.gz CYDULRBARPCGMO-UHFFFAOYSA-N -1 3 205.221 0.824 20 0 BCADHM CC[C@H]1CN(CCC(=O)[O-])[C@@H](C)CO1 ZINC000403986781 411372143 /nfs/dbraw/zinc/37/21/43/411372143.db2.gz IHISZUGQJYEQPJ-IUCAKERBSA-N -1 3 201.266 0.960 20 0 BCADHM O=C(N[C@@H](CO)CCF)c1cccc([O-])c1 ZINC000652924798 411346890 /nfs/dbraw/zinc/34/68/90/411346890.db2.gz WJUHQVILBUJKHG-SECBINFHSA-N -1 3 227.235 0.843 20 0 BCADHM CCC(=CC(=O)Nc1[n-]nnc1C(N)=O)CC ZINC000297712477 168195824 /nfs/dbraw/zinc/19/58/24/168195824.db2.gz JBHJTXAIPFBSFB-UHFFFAOYSA-N -1 3 237.263 0.589 20 0 BCADHM CCC(=CC(=O)Nc1nn[n-]c1C(N)=O)CC ZINC000297712477 168195825 /nfs/dbraw/zinc/19/58/25/168195825.db2.gz JBHJTXAIPFBSFB-UHFFFAOYSA-N -1 3 237.263 0.589 20 0 BCADHM CCC(=CC(=O)Nc1n[n-]nc1C(N)=O)CC ZINC000297712477 168195826 /nfs/dbraw/zinc/19/58/26/168195826.db2.gz JBHJTXAIPFBSFB-UHFFFAOYSA-N -1 3 237.263 0.589 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H](O)C1 ZINC000652993485 411389791 /nfs/dbraw/zinc/38/97/91/411389791.db2.gz BGFPNBWDZYVYNO-MRVPVSSYSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H](O)C1 ZINC000652993485 411389795 /nfs/dbraw/zinc/38/97/95/411389795.db2.gz BGFPNBWDZYVYNO-MRVPVSSYSA-N -1 3 246.270 0.555 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H](O)C1 ZINC000652993485 411389799 /nfs/dbraw/zinc/38/97/99/411389799.db2.gz BGFPNBWDZYVYNO-MRVPVSSYSA-N -1 3 246.270 0.555 20 0 BCADHM CCC(C)(C)N(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271383939 168284065 /nfs/dbraw/zinc/28/40/65/168284065.db2.gz DTGCYUSNWZVCPM-ZETCQYMHSA-N -1 3 241.291 0.232 20 0 BCADHM CCC(C)(C)NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000298621769 168297313 /nfs/dbraw/zinc/29/73/13/168297313.db2.gz YQANPSHBQOCELK-UHFFFAOYSA-N -1 3 239.275 0.404 20 0 BCADHM Cc1csc(S(=O)(=O)[N-]C/C=C\CO)c1 ZINC000657084469 411404781 /nfs/dbraw/zinc/40/47/81/411404781.db2.gz KOCCVEUISGTIRS-IHWYPQMZSA-N -1 3 247.341 0.883 20 0 BCADHM O=S(=O)([N-]C/C=C/CO)c1ccco1 ZINC000657085223 411404853 /nfs/dbraw/zinc/40/48/53/411404853.db2.gz STQVFRKIDJEFEF-OWOJBTEDSA-N -1 3 217.246 0.106 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](O)C2)n1 ZINC000270006490 411426349 /nfs/dbraw/zinc/42/63/49/411426349.db2.gz JOKUNDLQDHLAAN-SECBINFHSA-N -1 3 223.276 0.311 20 0 BCADHM CN(CC[N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000275517398 411440422 /nfs/dbraw/zinc/44/04/22/411440422.db2.gz UUWHURKJZNVQFC-UHFFFAOYSA-N -1 3 244.316 0.652 20 0 BCADHM CCN(CC)CC(=O)N(CC)[C@H](C)C(=O)[O-] ZINC000659772534 411451474 /nfs/dbraw/zinc/45/14/74/411451474.db2.gz QTWAQIFSHFDLPZ-SECBINFHSA-N -1 3 230.308 0.650 20 0 BCADHM C[C@@H](CC(=O)Nc1ncccc1[O-])NC(N)=O ZINC000654995574 411472577 /nfs/dbraw/zinc/47/25/77/411472577.db2.gz XUTVVDJHJNUWNT-LURJTMIESA-N -1 3 238.247 0.173 20 0 BCADHM O=C(CN1CCCC1=O)Nc1ncccc1[O-] ZINC000065604851 411481465 /nfs/dbraw/zinc/48/14/65/411481465.db2.gz UWDRHCBHBOZQSW-UHFFFAOYSA-N -1 3 235.243 0.348 20 0 BCADHM CC[C@@H](C)[C@H](C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297937338 411483243 /nfs/dbraw/zinc/48/32/43/411483243.db2.gz YYPPGWNRTHFGDO-RITPCOANSA-N -1 3 239.279 0.524 20 0 BCADHM CC[C@@H](C)[C@H](C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297937338 411483245 /nfs/dbraw/zinc/48/32/45/411483245.db2.gz YYPPGWNRTHFGDO-RITPCOANSA-N -1 3 239.279 0.524 20 0 BCADHM CC[C@@H](C)[C@H](C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297937338 411483247 /nfs/dbraw/zinc/48/32/47/411483247.db2.gz YYPPGWNRTHFGDO-RITPCOANSA-N -1 3 239.279 0.524 20 0 BCADHM CCN1C[C@H](C(=O)[N-]C2=NCCS2)CC1=O ZINC000298267381 170032561 /nfs/dbraw/zinc/03/25/61/170032561.db2.gz BLCYWDYZUJAXMT-SSDOTTSWSA-N -1 3 241.316 0.074 20 0 BCADHM CCN1C[C@H](C)N(Cc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000341126723 170033818 /nfs/dbraw/zinc/03/38/18/170033818.db2.gz LQQBIIMUVSSHFA-IUCAKERBSA-N -1 3 239.323 0.425 20 0 BCADHM CCNC(=O)CC(=O)Nc1nc(C)ccc1[O-] ZINC000356937683 170047988 /nfs/dbraw/zinc/04/79/88/170047988.db2.gz IWDCAMFUFWIOLJ-UHFFFAOYSA-N -1 3 237.259 0.560 20 0 BCADHM CCNC(=O)CN1CCC[C@](CC)(C(=O)[O-])C1 ZINC000062877565 170059918 /nfs/dbraw/zinc/05/99/18/170059918.db2.gz OWFZKLFLMKXTSI-LBPRGKRZSA-N -1 3 242.319 0.699 20 0 BCADHM O=S(=O)([N-]CCOCCF)c1ccccn1 ZINC000660175702 411552101 /nfs/dbraw/zinc/55/21/01/411552101.db2.gz UMPMIBBOGKDWII-UHFFFAOYSA-N -1 3 248.279 0.346 20 0 BCADHM CCNS(=O)(=O)[N-][C@H](COC)c1ccco1 ZINC000080790241 170136472 /nfs/dbraw/zinc/13/64/72/170136472.db2.gz NPFNSWLLIUQTHO-MRVPVSSYSA-N -1 3 248.304 0.411 20 0 BCADHM CCOC(=O)CNC(=O)c1ccc(O)cc1[O-] ZINC000037564320 170225015 /nfs/dbraw/zinc/22/50/15/170225015.db2.gz VSAYLIPDPHFUBP-UHFFFAOYSA-N -1 3 239.227 0.391 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)C1CCCCC1 ZINC000038137603 170226340 /nfs/dbraw/zinc/22/63/40/170226340.db2.gz HFJQQNMBBBYQBH-UHFFFAOYSA-N -1 3 249.332 0.802 20 0 BCADHM CCOC(=O)CSc1n[n-]c(COC)n1 ZINC000268542810 170230546 /nfs/dbraw/zinc/23/05/46/170230546.db2.gz NDYZXGQVGNWFNK-UHFFFAOYSA-N -1 3 231.277 0.606 20 0 BCADHM CCOC(=O)[C@@H](C)Sc1n[n-]c(COC)n1 ZINC000268471818 170248009 /nfs/dbraw/zinc/24/80/09/170248009.db2.gz IBVKZJZCGOOYID-ZCFIWIBFSA-N -1 3 245.304 0.995 20 0 BCADHM CCOCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070249683 170349604 /nfs/dbraw/zinc/34/96/04/170349604.db2.gz ZDBSLXJSELUUEK-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM CCOCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070249683 170349606 /nfs/dbraw/zinc/34/96/06/170349606.db2.gz ZDBSLXJSELUUEK-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM CCOCC(C)(C)NCc1nc(=O)n(C)[n-]1 ZINC000339381056 170355942 /nfs/dbraw/zinc/35/59/42/170355942.db2.gz UPRMJINWPWQMKG-UHFFFAOYSA-N -1 3 228.296 0.013 20 0 BCADHM CCOCCC(=O)Nc1nnc(OC)[n-]1 ZINC000126794287 170364052 /nfs/dbraw/zinc/36/40/52/170364052.db2.gz TWCJZCRHPJFUGT-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM CCOCCC(=O)Nc1n[n-]c(OC)n1 ZINC000126794287 170364055 /nfs/dbraw/zinc/36/40/55/170364055.db2.gz TWCJZCRHPJFUGT-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM CCOCCC(=O)Nc1nc(OC)n[n-]1 ZINC000126794287 170364057 /nfs/dbraw/zinc/36/40/57/170364057.db2.gz TWCJZCRHPJFUGT-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM CCOCCCNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268666327 170378859 /nfs/dbraw/zinc/37/88/59/170378859.db2.gz RHWJQNIBIGYLMX-UHFFFAOYSA-N -1 3 239.275 0.647 20 0 BCADHM CCOCCC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000299638311 170381571 /nfs/dbraw/zinc/38/15/71/170381571.db2.gz XQYYRXDSYWKGNE-UHFFFAOYSA-N -1 3 247.320 0.125 20 0 BCADHM CCOCCN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000330488682 170398765 /nfs/dbraw/zinc/39/87/65/170398765.db2.gz KLILBTICSUQOFO-SECBINFHSA-N -1 3 241.291 0.991 20 0 BCADHM O=C([N-]c1nc2n(n1)CCCC2)c1cccnn1 ZINC000529473495 411632193 /nfs/dbraw/zinc/63/21/93/411632193.db2.gz UCNJKSVSCLQGAK-UHFFFAOYSA-N -1 3 244.258 0.657 20 0 BCADHM CCOCc1nnc([N-]Cc2ccnn2C)o1 ZINC000347905953 411710579 /nfs/dbraw/zinc/71/05/79/411710579.db2.gz ZFFPWKWLXKJSHI-UHFFFAOYSA-N -1 3 237.263 0.952 20 0 BCADHM CN(CCc1cncn1C)Cc1n[n-]c(=O)o1 ZINC000660841418 411654081 /nfs/dbraw/zinc/65/40/81/411654081.db2.gz DQQMFAFFBGSDMR-UHFFFAOYSA-N -1 3 237.263 0.183 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)CC1CCOCC1 ZINC000660844107 411654471 /nfs/dbraw/zinc/65/44/71/411654471.db2.gz DTVWFAUJWMXTMK-UHFFFAOYSA-N -1 3 227.264 0.634 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)C[C@@H]1CCOC1 ZINC000660845993 411655878 /nfs/dbraw/zinc/65/58/78/411655878.db2.gz VVJHVMOBFCCPMP-ZETCQYMHSA-N -1 3 213.237 0.244 20 0 BCADHM CCC[C@@H]1C[C@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000660848119 411657132 /nfs/dbraw/zinc/65/71/32/411657132.db2.gz FQKVPXNBALPDDU-PHDIDXHHSA-N -1 3 237.263 0.278 20 0 BCADHM CCC[C@@H]1C[C@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000660848119 411657138 /nfs/dbraw/zinc/65/71/38/411657138.db2.gz FQKVPXNBALPDDU-PHDIDXHHSA-N -1 3 237.263 0.278 20 0 BCADHM CCC[C@@H]1C[C@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000660848119 411657141 /nfs/dbraw/zinc/65/71/41/411657141.db2.gz FQKVPXNBALPDDU-PHDIDXHHSA-N -1 3 237.263 0.278 20 0 BCADHM COCc1nc(C(=O)[N-]c2cc(C)on2)co1 ZINC000548509040 411660136 /nfs/dbraw/zinc/66/01/36/411660136.db2.gz DENCLEYWQXXXOB-UHFFFAOYSA-N -1 3 237.215 1.370 20 0 BCADHM CO[C@@H]1COC[C@H]1[N-]c1nnc(C(C)C)o1 ZINC000580439066 411671980 /nfs/dbraw/zinc/67/19/80/411671980.db2.gz OUBYMGIPBFKMQZ-HTQZYQBOSA-N -1 3 227.264 1.019 20 0 BCADHM O=c1[n-]c(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)n[nH]1 ZINC000661203036 411732246 /nfs/dbraw/zinc/73/22/46/411732246.db2.gz BFHOPARPCKEUNB-HRDYMLBCSA-N -1 3 238.291 0.103 20 0 BCADHM Cc1conc1[N-]C(=O)c1ncoc1C ZINC000435724875 411746744 /nfs/dbraw/zinc/74/67/44/411746744.db2.gz YNMXFIYEPHFSEN-UHFFFAOYSA-N -1 3 207.189 1.532 20 0 BCADHM Cn1[n-]c([C@@H]2CCCN2c2cnccn2)nc1=N ZINC000663964352 411792871 /nfs/dbraw/zinc/79/28/71/411792871.db2.gz ZWSZUBBGBATDHI-QMMMGPOBSA-N -1 3 245.290 0.359 20 0 BCADHM CC[C@@H](C)n1nc(NC(=O)c2nnc[n-]2)cc1C ZINC000330678092 411725796 /nfs/dbraw/zinc/72/57/96/411725796.db2.gz BYWGYBDCQADIHS-SSDOTTSWSA-N -1 3 248.290 1.533 20 0 BCADHM CC[C@@H](C)n1nc(NC(=O)c2nc[n-]n2)cc1C ZINC000330678092 411725801 /nfs/dbraw/zinc/72/58/01/411725801.db2.gz BYWGYBDCQADIHS-SSDOTTSWSA-N -1 3 248.290 1.533 20 0 BCADHM Cc1nnc(NC(=O)c2cccc([O-])c2)n1C ZINC000082282513 411796550 /nfs/dbraw/zinc/79/65/50/411796550.db2.gz KZBHSFFBWRUDPS-UHFFFAOYSA-N -1 3 232.243 1.081 20 0 BCADHM Cc1nnc(NCCCc2c[n-][nH]c2=O)nc1C ZINC000631361946 411802199 /nfs/dbraw/zinc/80/21/99/411802199.db2.gz ONUVARVJUUCRKU-SECBINFHSA-N -1 3 248.290 0.412 20 0 BCADHM CC(C)=CCCN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000357852934 411868181 /nfs/dbraw/zinc/86/81/81/411868181.db2.gz GVUMEERWUWEHEI-UHFFFAOYSA-N -1 3 232.291 1.077 20 0 BCADHM CC1(C)OCC[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000562539717 411890020 /nfs/dbraw/zinc/89/00/20/411890020.db2.gz ZQQMDBZKENXQQO-SSDOTTSWSA-N -1 3 248.290 0.288 20 0 BCADHM C[C@@H]1CCC[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000336942556 411903686 /nfs/dbraw/zinc/90/36/86/411903686.db2.gz IZXXVWYQFQAECZ-SVRRBLITSA-N -1 3 232.291 0.909 20 0 BCADHM Nc1nc(=N[C@@H]2CCC[C@@H]2F)nc2[nH][n-]cc1-2 ZINC000338824760 411924702 /nfs/dbraw/zinc/92/47/02/411924702.db2.gz QHGNRQIXIGEPLH-NKWVEPMBSA-N -1 3 236.254 0.611 20 0 BCADHM Nc1nc(=NCCOCC2CC2)nc2[nH][n-]cc1-2 ZINC000545475042 411925391 /nfs/dbraw/zinc/92/53/91/411925391.db2.gz MOKCDTFBDHIMOI-UHFFFAOYSA-N -1 3 248.290 0.147 20 0 BCADHM Nc1nc(=N[C@H]2CCCOCC2)nc2[nH][n-]cc1-2 ZINC000544847317 411927663 /nfs/dbraw/zinc/92/76/63/411927663.db2.gz OPEVDOYPHWIYCP-ZETCQYMHSA-N -1 3 248.290 0.290 20 0 BCADHM CCOC[C@H](C)N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000489947917 411868414 /nfs/dbraw/zinc/86/84/14/411868414.db2.gz QRNQFSCQWPACBE-LURJTMIESA-N -1 3 236.279 0.146 20 0 BCADHM CC[C@@H](C)CNc1nc2[n-]ncc2c(N)n1 ZINC000420649495 411874102 /nfs/dbraw/zinc/87/41/02/411874102.db2.gz GCMSXACBESLAOI-ZCFIWIBFSA-N -1 3 220.280 0.767 20 0 BCADHM OC[C@@H](N=c1ncnc2[nH][n-]cc1-2)C1CCC1 ZINC000664173047 411879328 /nfs/dbraw/zinc/87/93/28/411879328.db2.gz ZWYSDKQZVMMMSK-SECBINFHSA-N -1 3 233.275 0.299 20 0 BCADHM CC[C@@H]1C[C@H]1CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000560232489 411884163 /nfs/dbraw/zinc/88/41/63/411884163.db2.gz DAGKOKHDWDCMCY-RQJHMYQMSA-N -1 3 232.291 0.767 20 0 BCADHM CC[C@H]1CCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662201350 412024289 /nfs/dbraw/zinc/02/42/89/412024289.db2.gz IARJSHIZJPAAFD-UWVGGRQHSA-N -1 3 240.303 0.546 20 0 BCADHM CCCCN(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662200801 412025162 /nfs/dbraw/zinc/02/51/62/412025162.db2.gz KTSHNWXWHDKBBM-VIFPVBQESA-N -1 3 228.292 0.404 20 0 BCADHM CC(C)[C@@H](C)N(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662204628 412026160 /nfs/dbraw/zinc/02/61/60/412026160.db2.gz VPRKVQWEMAEGPE-NXEZZACHSA-N -1 3 242.319 0.648 20 0 BCADHM CC[C@@H]1CC[C@H](C(=O)Nc2nnc(OC)[n-]2)O1 ZINC000272457681 171048687 /nfs/dbraw/zinc/04/86/87/171048687.db2.gz KECBFKXVDZMEDD-RNFRBKRXSA-N -1 3 240.263 0.709 20 0 BCADHM CC[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(OC)n2)O1 ZINC000272457681 171048689 /nfs/dbraw/zinc/04/86/89/171048689.db2.gz KECBFKXVDZMEDD-RNFRBKRXSA-N -1 3 240.263 0.709 20 0 BCADHM CC[C@@H]1CC[C@H](C(=O)Nc2nc(OC)n[n-]2)O1 ZINC000272457681 171048692 /nfs/dbraw/zinc/04/86/92/171048692.db2.gz KECBFKXVDZMEDD-RNFRBKRXSA-N -1 3 240.263 0.709 20 0 BCADHM CC[C@@](C)(O)CNC(=O)c1ccc(O)cc1[O-] ZINC000087030874 171183129 /nfs/dbraw/zinc/18/31/29/171183129.db2.gz WRBXHLGKRKWAGU-GFCCVEGCSA-N -1 3 239.271 0.989 20 0 BCADHM CC[C@H](C)N1CCO[C@H](CC(=O)[O-])C1 ZINC000082382162 171318760 /nfs/dbraw/zinc/31/87/60/171318760.db2.gz GFNVRJHYZGYAAC-DTWKUNHWSA-N -1 3 201.266 0.960 20 0 BCADHM CC[C@H](C)[C@H](N)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000062916367 171393766 /nfs/dbraw/zinc/39/37/66/171393766.db2.gz CQUAXGMVDOUMGI-AUTRQRHGSA-N -1 3 242.319 0.683 20 0 BCADHM Cn1cnnc1NC(=O)c1cc(C(F)F)[n-]n1 ZINC000640119362 412162361 /nfs/dbraw/zinc/16/23/61/412162361.db2.gz WHEBYYLNZSQCKT-UHFFFAOYSA-N -1 3 242.189 0.728 20 0 BCADHM O=C(Nc1nnn[n-]1)c1cccc2c1CCNC2 ZINC000662436775 412174132 /nfs/dbraw/zinc/17/41/32/412174132.db2.gz HPUFBIGUHLPNDM-UHFFFAOYSA-N -1 3 244.258 0.098 20 0 BCADHM CC(C)(O)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000615134190 412257647 /nfs/dbraw/zinc/25/76/47/412257647.db2.gz VYKHRUIWZCPPIJ-UHFFFAOYSA-N -1 3 235.243 0.978 20 0 BCADHM O=C([O-])[C@]12COC[C@H]1CN(Cc1ccco1)C2 ZINC000665343306 412275128 /nfs/dbraw/zinc/27/51/28/412275128.db2.gz DHFFGJALXJPQQC-BXKDBHETSA-N -1 3 237.255 0.813 20 0 BCADHM CC(C)c1nnc([N-]CC(=O)NC(C)(C)C)o1 ZINC000450227599 412324175 /nfs/dbraw/zinc/32/41/75/412324175.db2.gz QYGANUGYSZWFCJ-UHFFFAOYSA-N -1 3 240.307 1.520 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1nc(C)cc(C)n1 ZINC000555949369 412333817 /nfs/dbraw/zinc/33/38/17/412333817.db2.gz GNXFREPHXPKTJF-SNVBAGLBSA-N -1 3 247.302 1.017 20 0 BCADHM CCC(C)(C)c1nnc([N-][C@H](CO)[C@@H](C)O)o1 ZINC000641629603 412336625 /nfs/dbraw/zinc/33/66/25/412336625.db2.gz JUJUJNUSJDTOPS-HTQZYQBOSA-N -1 3 243.307 0.911 20 0 BCADHM COC(=O)c1cc(C(=O)Nc2cc[nH]n2)c[n-]1 ZINC000433100199 412337907 /nfs/dbraw/zinc/33/79/07/412337907.db2.gz AVTVLDBTESJJHN-UHFFFAOYSA-N -1 3 234.215 0.777 20 0 BCADHM COC(=O)c1cc(C(=O)Nc2cc(C)on2)c[n-]1 ZINC000431674648 412337983 /nfs/dbraw/zinc/33/79/83/412337983.db2.gz FGDWJECTWCRBLP-UHFFFAOYSA-N -1 3 249.226 1.350 20 0 BCADHM COC(=O)c1ccc(C(=O)Nc2cc(C)on2)[n-]1 ZINC000431672192 412339715 /nfs/dbraw/zinc/33/97/15/412339715.db2.gz XQXXMBFTVUGSOM-UHFFFAOYSA-N -1 3 249.226 1.350 20 0 BCADHM O=C(Nc1n[nH]cc1C1CC1)c1cnn[n-]1 ZINC000648977957 412342994 /nfs/dbraw/zinc/34/29/94/412342994.db2.gz YXCSYJOQNBWJDL-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM O=C(Nc1n[nH]cc1C1CC1)c1c[n-]nn1 ZINC000648977957 412342998 /nfs/dbraw/zinc/34/29/98/412342998.db2.gz YXCSYJOQNBWJDL-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM O=C(Nc1n[nH]cc1C1CC1)c1cn[n-]n1 ZINC000648977957 412343001 /nfs/dbraw/zinc/34/30/01/412343001.db2.gz YXCSYJOQNBWJDL-UHFFFAOYSA-N -1 3 218.220 0.658 20 0 BCADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1CCCO1 ZINC000647802145 412343960 /nfs/dbraw/zinc/34/39/60/412343960.db2.gz HTIUFTQEYLLDJK-JTQLQIEISA-N -1 3 247.254 1.386 20 0 BCADHM O=C(Nc1cc(CC2CC2)[nH]n1)c1cnn[n-]1 ZINC000636363307 412353146 /nfs/dbraw/zinc/35/31/46/412353146.db2.gz AZLWBTGTKVFSOM-UHFFFAOYSA-N -1 3 232.247 0.733 20 0 BCADHM O=C(Nc1cc(CC2CC2)[nH]n1)c1c[n-]nn1 ZINC000636363307 412353148 /nfs/dbraw/zinc/35/31/48/412353148.db2.gz AZLWBTGTKVFSOM-UHFFFAOYSA-N -1 3 232.247 0.733 20 0 BCADHM O=C(Nc1cc(CC2CC2)[nH]n1)c1cn[n-]n1 ZINC000636363307 412353150 /nfs/dbraw/zinc/35/31/50/412353150.db2.gz AZLWBTGTKVFSOM-UHFFFAOYSA-N -1 3 232.247 0.733 20 0 BCADHM COCCCn1nccc1C[N-]c1nnco1 ZINC000351543946 412365030 /nfs/dbraw/zinc/36/50/30/412365030.db2.gz HPEWGVDBKNJLEF-UHFFFAOYSA-N -1 3 237.263 0.915 20 0 BCADHM [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CC2CC2)n1 ZINC000662753277 412291556 /nfs/dbraw/zinc/29/15/56/412291556.db2.gz XOTULLBBFXMJDH-UHFFFAOYSA-N -1 3 236.275 0.057 20 0 BCADHM NCc1cc(=O)[n-]c(CNC(=O)CC2CC2)n1 ZINC000662753277 412291557 /nfs/dbraw/zinc/29/15/57/412291557.db2.gz XOTULLBBFXMJDH-UHFFFAOYSA-N -1 3 236.275 0.057 20 0 BCADHM CN(C)CCNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663118204 412385906 /nfs/dbraw/zinc/38/59/06/412385906.db2.gz XVMBIUXCDGZFGY-JTQLQIEISA-N -1 3 242.319 0.555 20 0 BCADHM CC1(C)OCC[C@H]1CN=c1ncnc2[nH][n-]cc1-2 ZINC000663233814 412396183 /nfs/dbraw/zinc/39/61/83/412396183.db2.gz JLTBZVUIJQGBBJ-QMMMGPOBSA-N -1 3 247.302 0.953 20 0 BCADHM CCc1ncc(NC(=O)c2nc[n-]n2)cn1 ZINC000358453593 172023119 /nfs/dbraw/zinc/02/31/19/172023119.db2.gz RLLLLYGDXDDDCM-UHFFFAOYSA-N -1 3 218.220 0.409 20 0 BCADHM CCc1nccn1CCCOC([O-])=NC(N)=O ZINC000158533150 172025010 /nfs/dbraw/zinc/02/50/10/172025010.db2.gz XVTJDZRCDWVVBE-UHFFFAOYSA-N -1 3 240.263 0.641 20 0 BCADHM CCc1nccn1CCCOC(=O)N=C(N)[O-] ZINC000158533150 172025013 /nfs/dbraw/zinc/02/50/13/172025013.db2.gz XVTJDZRCDWVVBE-UHFFFAOYSA-N -1 3 240.263 0.641 20 0 BCADHM CCc1nccn1CCCOC(=O)[N-]C(N)=O ZINC000158533150 172025017 /nfs/dbraw/zinc/02/50/17/172025017.db2.gz XVTJDZRCDWVVBE-UHFFFAOYSA-N -1 3 240.263 0.641 20 0 BCADHM CCc1nn(C)cc1[N-]S(=O)(=O)C1CC1 ZINC000273923525 172043045 /nfs/dbraw/zinc/04/30/45/172043045.db2.gz QVHFMORXOVDWSA-UHFFFAOYSA-N -1 3 229.305 0.887 20 0 BCADHM CCn1c(=O)[n-]nc1S[C@H]1CCOC1 ZINC000328804520 172146484 /nfs/dbraw/zinc/14/64/84/172146484.db2.gz CTKQVIDKPHHOPW-LURJTMIESA-N -1 3 215.278 0.885 20 0 BCADHM CCn1c(=O)[n-]nc1S(=O)(=O)CCC1CC1 ZINC000358610297 172145721 /nfs/dbraw/zinc/14/57/21/172145721.db2.gz QQAKDRAOTFLUCA-UHFFFAOYSA-N -1 3 245.304 0.577 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]CCF)cn1 ZINC000280724320 172191294 /nfs/dbraw/zinc/19/12/94/172191294.db2.gz JFGWEGTYIVBCBH-UHFFFAOYSA-N -1 3 221.257 0.151 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H](O)CCSC ZINC000330632033 172237968 /nfs/dbraw/zinc/23/79/68/172237968.db2.gz HDMXIYXUZGKILS-ZETCQYMHSA-N -1 3 244.320 0.351 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H](O)C(C)C ZINC000291664871 172238563 /nfs/dbraw/zinc/23/85/63/172238563.db2.gz PJDDEUPLHVLCOU-ZETCQYMHSA-N -1 3 212.253 0.253 20 0 BCADHM CCn1nc(C)c(S(=O)(=O)[N-]CCF)c1C ZINC000280819489 172249109 /nfs/dbraw/zinc/24/91/09/172249109.db2.gz UTYRXCPSLHFGTL-UHFFFAOYSA-N -1 3 249.311 0.768 20 0 BCADHM CN(C(=O)c1c([O-])cccc1O)[C@@H]1CCOC1 ZINC000220254319 172336593 /nfs/dbraw/zinc/33/65/93/172336593.db2.gz DXFISVDIVXZNQX-MRVPVSSYSA-N -1 3 237.255 0.959 20 0 BCADHM CN(C(=O)c1cccc([O-])c1)[C@@H]1COC[C@H]1O ZINC000287444341 172342211 /nfs/dbraw/zinc/34/22/11/172342211.db2.gz VIRPBMMQHWNNIB-GHMZBOCLSA-N -1 3 237.255 0.224 20 0 BCADHM CN(C(=O)c1ccccc1[O-])[C@@H]1COC[C@H]1O ZINC000287474576 172343182 /nfs/dbraw/zinc/34/31/82/172343182.db2.gz XCSDXXLGSCDAJG-MWLCHTKSSA-N -1 3 237.255 0.224 20 0 BCADHM CN(C)C(=O)C[N-]c1nnc(C2CC2)o1 ZINC000278316887 172372294 /nfs/dbraw/zinc/37/22/94/172372294.db2.gz HNPUPEGHGJKLTL-UHFFFAOYSA-N -1 3 210.237 0.447 20 0 BCADHM CN1CCC[C@@H](NC(=O)c2ccccc2[O-])C1=O ZINC000336302867 173021442 /nfs/dbraw/zinc/02/14/42/173021442.db2.gz RUZPOUPPQKLXLN-SNVBAGLBSA-N -1 3 248.282 0.743 20 0 BCADHM CN1CCC[C@@]2(CCN(C(=O)C(=O)[O-])C2)C1 ZINC000331688749 173039227 /nfs/dbraw/zinc/03/92/27/173039227.db2.gz SSMDPKIZAXQLFH-LLVKDONJSA-N -1 3 226.276 0.015 20 0 BCADHM CN1CCN(Cc2cc([O-])cc(F)c2)CC1=O ZINC000186231434 173086246 /nfs/dbraw/zinc/08/62/46/173086246.db2.gz NIPHOBGBRZIJDE-UHFFFAOYSA-N -1 3 238.262 0.805 20 0 BCADHM CN1C[C@@H](NC(=O)c2ccccc2[O-])CC1=O ZINC000299702900 173184163 /nfs/dbraw/zinc/18/41/63/173184163.db2.gz YLEJKNMXMQHAIW-QMMMGPOBSA-N -1 3 234.255 0.353 20 0 BCADHM CNC(=O)C1CN(Cc2cc([O-])cc(F)c2)C1 ZINC000297515283 173227663 /nfs/dbraw/zinc/22/76/63/173227663.db2.gz XPMCCEXMFMPTGR-UHFFFAOYSA-N -1 3 238.262 0.709 20 0 BCADHM CNC(=O)CCNC(=O)c1cc(C)ccc1[O-] ZINC000044427634 173258175 /nfs/dbraw/zinc/25/81/75/173258175.db2.gz ZFKXIAIUCFWCGQ-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM CNC(=O)CCNC(=O)c1cccc(C)c1[O-] ZINC000044427623 173259409 /nfs/dbraw/zinc/25/94/09/173259409.db2.gz GKILNVXAEFGTKT-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM CNC(=O)CNC(=O)c1ccc(C)cc1[O-] ZINC000037208139 173276605 /nfs/dbraw/zinc/27/66/05/173276605.db2.gz XFTYLGVHJZUCEP-UHFFFAOYSA-N -1 3 222.244 0.176 20 0 BCADHM CNC(=O)[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000042350835 173294897 /nfs/dbraw/zinc/29/48/97/173294897.db2.gz BVOYODRUKYOWEJ-MRVPVSSYSA-N -1 3 236.271 0.565 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@H]1CC1(C)C ZINC000333116171 173315365 /nfs/dbraw/zinc/31/53/65/173315365.db2.gz HKALVYZTYHKUGW-RXMQYKEDSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@H]1CC1(C)C ZINC000333116171 173315367 /nfs/dbraw/zinc/31/53/67/173315367.db2.gz HKALVYZTYHKUGW-RXMQYKEDSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@H]1CC1(C)C ZINC000333116171 173315369 /nfs/dbraw/zinc/31/53/69/173315369.db2.gz HKALVYZTYHKUGW-RXMQYKEDSA-N -1 3 237.263 0.149 20 0 BCADHM COCC1(CNC(=O)c2c[n-]nn2)CCC1 ZINC000281996902 174101936 /nfs/dbraw/zinc/10/19/36/174101936.db2.gz HLCSLSXVHDBNDT-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM COCC1(CNC(=O)c2cnn[n-]2)CCC1 ZINC000281996902 174101938 /nfs/dbraw/zinc/10/19/38/174101938.db2.gz HLCSLSXVHDBNDT-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM COCC1(CNC(=O)c2cn[n-]n2)CCC1 ZINC000281996902 174101942 /nfs/dbraw/zinc/10/19/42/174101942.db2.gz HLCSLSXVHDBNDT-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM COCCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267872186 174135730 /nfs/dbraw/zinc/13/57/30/174135730.db2.gz VUABTCRPTBAYCT-UHFFFAOYSA-N -1 3 227.220 0.171 20 0 BCADHM COCCCC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000299551541 174201353 /nfs/dbraw/zinc/20/13/53/174201353.db2.gz LBMWDFCNXJQVCE-UHFFFAOYSA-N -1 3 247.320 0.125 20 0 BCADHM COCCCO[N-]C(=O)c1ccc(=O)[nH]c1C ZINC000288077065 174256252 /nfs/dbraw/zinc/25/62/52/174256252.db2.gz JQJHNMFKVWZLHI-UHFFFAOYSA-N -1 3 240.259 0.794 20 0 BCADHM COCCCS(=O)(=O)[N-]Cc1cc(C)no1 ZINC000170888318 174257859 /nfs/dbraw/zinc/25/78/59/174257859.db2.gz VPRLBGOCBGUACF-UHFFFAOYSA-N -1 3 248.304 0.439 20 0 BCADHM COCCN(C)C(=O)c1csc(=O)[n-]1 ZINC000330998839 174273905 /nfs/dbraw/zinc/27/39/05/174273905.db2.gz VWCXTRKDPCPTNI-UHFFFAOYSA-N -1 3 216.262 0.567 20 0 BCADHM COCCN(CCO)C(=O)c1ccccc1[O-] ZINC000164150426 174293011 /nfs/dbraw/zinc/29/30/11/174293011.db2.gz PRYDBULNHMZEMW-UHFFFAOYSA-N -1 3 239.271 0.473 20 0 BCADHM COCCN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000373831359 174304738 /nfs/dbraw/zinc/30/47/38/174304738.db2.gz LRNKUYSMCGKDNA-UHFFFAOYSA-N -1 3 226.280 0.336 20 0 BCADHM COCC[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188653217 174383983 /nfs/dbraw/zinc/38/39/83/174383983.db2.gz KRHNEQUHBNRFES-MRVPVSSYSA-N -1 3 233.289 0.983 20 0 BCADHM COC[C@@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000354306056 174459961 /nfs/dbraw/zinc/45/99/61/174459961.db2.gz UOSZISVEOYKWMP-MRVPVSSYSA-N -1 3 230.289 0.395 20 0 BCADHM COc1ccc(C(=O)N(C)C[C@@H](C)O)c([O-])c1 ZINC000051818060 175054584 /nfs/dbraw/zinc/05/45/84/175054584.db2.gz CLXNDBJMBMNUKV-MRVPVSSYSA-N -1 3 239.271 0.854 20 0 BCADHM COc1ccc(C(=O)N[C@@H](C)CO)c([O-])c1 ZINC000035204869 175062364 /nfs/dbraw/zinc/06/23/64/175062364.db2.gz NIMHJBCMXIFTDY-ZETCQYMHSA-N -1 3 225.244 0.511 20 0 BCADHM COc1ccc([O-])c(C(=O)N2CC[C@H](O)C2)c1 ZINC000061705865 175157277 /nfs/dbraw/zinc/15/72/77/175157277.db2.gz LQNJSZAJQYYQQP-QMMMGPOBSA-N -1 3 237.255 0.608 20 0 BCADHM COc1ccc([C@@H](C)NCc2nc(=O)[n-][nH]2)cc1 ZINC000271652331 175176820 /nfs/dbraw/zinc/17/68/20/175176820.db2.gz JLBYIUFXPIQKSK-MRVPVSSYSA-N -1 3 248.286 0.957 20 0 BCADHM COc1nnc(NC(=O)c2cc[nH]c2)[n-]1 ZINC000352638804 175388557 /nfs/dbraw/zinc/38/85/57/175388557.db2.gz VNYPLKGRTPPYLF-UHFFFAOYSA-N -1 3 207.193 0.394 20 0 BCADHM COc1nc(NC(=O)c2cc[nH]c2)n[n-]1 ZINC000352638804 175388558 /nfs/dbraw/zinc/38/85/58/175388558.db2.gz VNYPLKGRTPPYLF-UHFFFAOYSA-N -1 3 207.193 0.394 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc[nH]c2)n1 ZINC000352638804 175388559 /nfs/dbraw/zinc/38/85/59/175388559.db2.gz VNYPLKGRTPPYLF-UHFFFAOYSA-N -1 3 207.193 0.394 20 0 BCADHM COc1nnc(NC(=O)c2cc(C)sn2)[n-]1 ZINC000278500179 175394601 /nfs/dbraw/zinc/39/46/01/175394601.db2.gz WQEXBIWDPAVXIM-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM COc1nc(NC(=O)c2cc(C)sn2)n[n-]1 ZINC000278500179 175394603 /nfs/dbraw/zinc/39/46/03/175394603.db2.gz WQEXBIWDPAVXIM-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(C)sn2)n1 ZINC000278500179 175394605 /nfs/dbraw/zinc/39/46/05/175394605.db2.gz WQEXBIWDPAVXIM-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCCO[C@H]2C)[n-]1 ZINC000189931543 175394687 /nfs/dbraw/zinc/39/46/87/175394687.db2.gz ZIHWSQPPKZMKHL-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCCO[C@H]2C)n[n-]1 ZINC000189931543 175394689 /nfs/dbraw/zinc/39/46/89/175394689.db2.gz ZIHWSQPPKZMKHL-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCCO[C@H]2C)n1 ZINC000189931543 175394692 /nfs/dbraw/zinc/39/46/92/175394692.db2.gz ZIHWSQPPKZMKHL-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)[n-]1 ZINC000282262329 175394877 /nfs/dbraw/zinc/39/48/77/175394877.db2.gz BZORXKNGMHLAMF-FSDSQADBSA-N -1 3 240.263 0.565 20 0 BCADHM COc1nc(NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)n[n-]1 ZINC000282262329 175394878 /nfs/dbraw/zinc/39/48/78/175394878.db2.gz BZORXKNGMHLAMF-FSDSQADBSA-N -1 3 240.263 0.565 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)n1 ZINC000282262329 175394879 /nfs/dbraw/zinc/39/48/79/175394879.db2.gz BZORXKNGMHLAMF-FSDSQADBSA-N -1 3 240.263 0.565 20 0 BCADHM COc1nnc(NC(=O)c2cnc(C)cn2)[n-]1 ZINC000126789081 175395933 /nfs/dbraw/zinc/39/59/33/175395933.db2.gz UGOYCPMHTQSQNA-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM COc1nc(NC(=O)c2cnc(C)cn2)n[n-]1 ZINC000126789081 175395934 /nfs/dbraw/zinc/39/59/34/175395934.db2.gz UGOYCPMHTQSQNA-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM COc1n[n-]c(NC(=O)c2cnc(C)cn2)n1 ZINC000126789081 175395935 /nfs/dbraw/zinc/39/59/35/175395935.db2.gz UGOYCPMHTQSQNA-UHFFFAOYSA-N -1 3 234.219 0.164 20 0 BCADHM C[C@@H](CF)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000360591644 175692379 /nfs/dbraw/zinc/69/23/79/175692379.db2.gz QQMXTGRGCQEUFF-LURJTMIESA-N -1 3 242.254 0.336 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1[C@H]1C=CCCC1 ZINC000295417281 176043611 /nfs/dbraw/zinc/04/36/11/176043611.db2.gz TXBQEQZSPGFFOF-BDAKNGLRSA-N -1 3 244.316 0.502 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1C/C=C/Cl ZINC000295143889 176043681 /nfs/dbraw/zinc/04/36/81/176043681.db2.gz FEAVDAHZVOKODX-FCJGRKLLSA-N -1 3 238.696 0.146 20 0 BCADHM C[C@@H]1CC([N-]C(=O)c2cnns2)=NO1 ZINC000270737125 176055282 /nfs/dbraw/zinc/05/52/82/176055282.db2.gz GURWSAHYKTTWIS-SCSAIBSYSA-N -1 3 212.234 0.390 20 0 BCADHM C[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000336398073 176102521 /nfs/dbraw/zinc/10/25/21/176102521.db2.gz HBSCXCKKSIFRLB-SECBINFHSA-N -1 3 224.308 0.730 20 0 BCADHM C[C@@H]1COCCN1C(=O)c1ccc(O)cc1[O-] ZINC000221303566 176334463 /nfs/dbraw/zinc/33/44/63/176334463.db2.gz WSXOYQCNTJTVIR-MRVPVSSYSA-N -1 3 237.255 0.959 20 0 BCADHM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000277652828 176340973 /nfs/dbraw/zinc/34/09/73/176340973.db2.gz DTGIIDCGLIAGSZ-BDAKNGLRSA-N -1 3 245.300 0.983 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1[C@@H]1C=CCCC1 ZINC000295417286 177057912 /nfs/dbraw/zinc/05/79/12/177057912.db2.gz TXBQEQZSPGFFOF-DTWKUNHWSA-N -1 3 244.316 0.502 20 0 BCADHM C[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000336398074 177103006 /nfs/dbraw/zinc/10/30/06/177103006.db2.gz HBSCXCKKSIFRLB-VIFPVBQESA-N -1 3 224.308 0.730 20 0 BCADHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000264333782 177142706 /nfs/dbraw/zinc/14/27/06/177142706.db2.gz UFKMHBRCXLJCOB-DTWKUNHWSA-N -1 3 243.332 0.887 20 0 BCADHM C[C@H]1CCC[C@]1(O)CN=c1ncnc2[nH][n-]cc1-2 ZINC000338810456 177144237 /nfs/dbraw/zinc/14/42/37/177144237.db2.gz LUXZABGKHYLUAC-UFBFGSQYSA-N -1 3 247.302 0.689 20 0 BCADHM C[C@H]1CCN(c2nc3[nH][n-]cc-3c(=N)n2)[C@H]1C ZINC000354573862 177172081 /nfs/dbraw/zinc/17/20/81/177172081.db2.gz JJXCJVOQYLLHDS-BQBZGAKWSA-N -1 3 232.291 0.952 20 0 BCADHM C[C@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@H]1O ZINC000351848217 177227127 /nfs/dbraw/zinc/22/71/27/177227127.db2.gz ATZDMCINMNNHST-WRWORJQWSA-N -1 3 246.270 0.411 20 0 BCADHM C[C@@H]1CN(C)[C@@H](C)CN1Cc1n[nH]c(=O)[n-]1 ZINC000341130276 177270351 /nfs/dbraw/zinc/27/03/51/177270351.db2.gz APJWFUFKNLRRHV-JGVFFNPUSA-N -1 3 225.296 0.035 20 0 BCADHM C[C@H]1CNCCN1C(=O)c1ccccc1[O-] ZINC000054370267 177283875 /nfs/dbraw/zinc/28/38/75/177283875.db2.gz NOCGQXLXALFYEA-VIFPVBQESA-N -1 3 220.272 0.826 20 0 BCADHM C[C@H]1C[C@@H](CCNC(=O)c2c[n-]nn2)CCO1 ZINC000273233055 177323462 /nfs/dbraw/zinc/32/34/62/177323462.db2.gz VFLPTKWMLGJOCZ-IUCAKERBSA-N -1 3 238.291 0.740 20 0 BCADHM C[C@H]1C[C@@H](CCNC(=O)c2cnn[n-]2)CCO1 ZINC000273233055 177323464 /nfs/dbraw/zinc/32/34/64/177323464.db2.gz VFLPTKWMLGJOCZ-IUCAKERBSA-N -1 3 238.291 0.740 20 0 BCADHM C[C@H]1C[C@@H](CCNC(=O)c2cn[n-]n2)CCO1 ZINC000273233055 177323466 /nfs/dbraw/zinc/32/34/66/177323466.db2.gz VFLPTKWMLGJOCZ-IUCAKERBSA-N -1 3 238.291 0.740 20 0 BCADHM C[C@H]1C[C@H](CCNC(=O)c2c[n-]nn2)CCO1 ZINC000273233053 177361014 /nfs/dbraw/zinc/36/10/14/177361014.db2.gz VFLPTKWMLGJOCZ-DTWKUNHWSA-N -1 3 238.291 0.740 20 0 BCADHM C[C@H]1C[C@H](CCNC(=O)c2cnn[n-]2)CCO1 ZINC000273233053 177361015 /nfs/dbraw/zinc/36/10/15/177361015.db2.gz VFLPTKWMLGJOCZ-DTWKUNHWSA-N -1 3 238.291 0.740 20 0 BCADHM C[C@H]1C[C@H](CCNC(=O)c2cn[n-]n2)CCO1 ZINC000273233053 177361016 /nfs/dbraw/zinc/36/10/16/177361016.db2.gz VFLPTKWMLGJOCZ-DTWKUNHWSA-N -1 3 238.291 0.740 20 0 BCADHM C[C@]1(O)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000182559176 177475595 /nfs/dbraw/zinc/47/55/95/177475595.db2.gz CMOOHFVRMWFALM-LBPRGKRZSA-N -1 3 221.256 0.989 20 0 BCADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1n[n-]c(OC)n1 ZINC000486951689 225274654 /nfs/dbraw/zinc/27/46/54/225274654.db2.gz UBUWLTJJCBPDPM-RNFRBKRXSA-N -1 3 242.279 0.670 20 0 BCADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1nnc(OC)[n-]1 ZINC000486951689 225274656 /nfs/dbraw/zinc/27/46/56/225274656.db2.gz UBUWLTJJCBPDPM-RNFRBKRXSA-N -1 3 242.279 0.670 20 0 BCADHM COC[C@@H](C)[C@@H](C)C(=O)Nc1nc(OC)n[n-]1 ZINC000486951689 225274658 /nfs/dbraw/zinc/27/46/58/225274658.db2.gz UBUWLTJJCBPDPM-RNFRBKRXSA-N -1 3 242.279 0.670 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@](C)(O)C1CCC1 ZINC000488359629 225388069 /nfs/dbraw/zinc/38/80/69/225388069.db2.gz TWPIBPFWCUWUPK-NSHDSACASA-N -1 3 238.291 0.788 20 0 BCADHM CN(C)C(=O)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492517242 226011118 /nfs/dbraw/zinc/01/11/18/226011118.db2.gz DWUGVIOTZJORNB-ARJAWSKDSA-N -1 3 249.270 0.005 20 0 BCADHM COCCN(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492477569 226005041 /nfs/dbraw/zinc/00/50/41/226005041.db2.gz VWZRMAOWLVIJKM-ARJAWSKDSA-N -1 3 236.271 0.905 20 0 BCADHM O=C(/C=C/c1cccnc1)[N-]O[C@H]1CCOC1 ZINC000492499141 226008808 /nfs/dbraw/zinc/00/88/08/226008808.db2.gz FVIAFUOSDSLQIF-UFFNRZRYSA-N -1 3 234.255 0.932 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CC[C@H](O)C1 ZINC000492833317 226062791 /nfs/dbraw/zinc/06/27/91/226062791.db2.gz NRHZIHMYWVPNMF-SYBPUXJVSA-N -1 3 234.255 0.394 20 0 BCADHM C[C@@]1(O)CCN(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000492995152 226100038 /nfs/dbraw/zinc/10/00/38/226100038.db2.gz KQGMLNMCKWGPFU-XQJDBVBESA-N -1 3 248.282 0.784 20 0 BCADHM CCn1nccc1/C=C\C(=O)[N-]OCCCO ZINC000493535206 226241471 /nfs/dbraw/zinc/24/14/71/226241471.db2.gz ZQPPHNDKAVBHJG-PLNGDYQASA-N -1 3 239.275 0.346 20 0 BCADHM COc1nnc(NC(=O)C=Cc2ccn(C)c2)[n-]1 ZINC000493689372 226249344 /nfs/dbraw/zinc/24/93/44/226249344.db2.gz NZQXLFSYGUPYSW-ARJAWSKDSA-N -1 3 247.258 0.804 20 0 BCADHM COc1nc(NC(=O)C=Cc2ccn(C)c2)n[n-]1 ZINC000493689372 226249345 /nfs/dbraw/zinc/24/93/45/226249345.db2.gz NZQXLFSYGUPYSW-ARJAWSKDSA-N -1 3 247.258 0.804 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2ccn(C)c2)n1 ZINC000493689372 226249346 /nfs/dbraw/zinc/24/93/46/226249346.db2.gz NZQXLFSYGUPYSW-ARJAWSKDSA-N -1 3 247.258 0.804 20 0 BCADHM O=C(/C=C/c1ccc[nH]1)[N-]OCCCO ZINC000493703556 226250104 /nfs/dbraw/zinc/25/01/04/226250104.db2.gz FUHZAJBKMQDBBG-SNAWJCMRSA-N -1 3 210.233 0.458 20 0 BCADHM O=C(/C=C/c1cncs1)[N-]OCCO ZINC000493845624 226257116 /nfs/dbraw/zinc/25/71/16/226257116.db2.gz DACGXMTUCMAXAW-OWOJBTEDSA-N -1 3 214.246 0.196 20 0 BCADHM CSCCO[N-]C(=O)/C=C/c1ncc[nH]1 ZINC000493855139 226257542 /nfs/dbraw/zinc/25/75/42/226257542.db2.gz KBCYWQXWRVZYPD-NSCUHMNNSA-N -1 3 227.289 0.834 20 0 BCADHM C[C@H]1OC(=O)N[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000496460718 226305432 /nfs/dbraw/zinc/30/54/32/226305432.db2.gz SMJMTKRDDMWRLW-MUWHJKNJSA-N -1 3 236.227 0.828 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCN1C(C)(C)C ZINC000895527178 583684552 /nfs/dbraw/zinc/68/45/52/583684552.db2.gz WPXPMAPPDWKWOL-QMMMGPOBSA-N -1 3 200.282 0.927 20 0 BCADHM COCCNC(=O)Cc1cncc([O-])c1 ZINC000557426692 322937227 /nfs/dbraw/zinc/93/72/27/322937227.db2.gz CJMIWWYTHSERCU-UHFFFAOYSA-N -1 3 210.233 0.092 20 0 BCADHM CC[C@H](C)[C@H](N)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000087512947 487665738 /nfs/dbraw/zinc/66/57/38/487665738.db2.gz LIYBJDOHDLGSAF-GUBZILKMSA-N -1 3 244.335 0.833 20 0 BCADHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000305222442 229371273 /nfs/dbraw/zinc/37/12/73/229371273.db2.gz WKAASNTUYYABHT-JGVFFNPUSA-N -1 3 247.320 0.095 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@H](O)C1 ZINC000305749084 229382970 /nfs/dbraw/zinc/38/29/70/229382970.db2.gz WQQNLPSBKCEHKZ-UFFNRZRYSA-N -1 3 248.282 0.784 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)Nc2ccncc2[O-])[C@H](C)O1 ZINC000632169627 487673365 /nfs/dbraw/zinc/67/33/65/487673365.db2.gz ABEDBYUBNKZLDK-HRDYMLBCSA-N -1 3 236.271 0.961 20 0 BCADHM C[C@@H](C[C@H]1CCOC1)N=c1ncnc2[nH][n-]cc1-2 ZINC000675291373 487691167 /nfs/dbraw/zinc/69/11/67/487691167.db2.gz OMNOCXLCGBWFAK-DTWKUNHWSA-N -1 3 247.302 0.953 20 0 BCADHM CN(C)CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681014759 487695201 /nfs/dbraw/zinc/69/52/01/487695201.db2.gz KTESNKSZLMGHMT-UHFFFAOYSA-N -1 3 226.251 0.823 20 0 BCADHM O=C(NCCN1CCC1)c1ccc([O-])c(F)c1 ZINC000681058153 487704315 /nfs/dbraw/zinc/70/43/15/487704315.db2.gz IVQCOCCCCYMVSM-UHFFFAOYSA-N -1 3 238.262 0.967 20 0 BCADHM COCCN1CCC[C@H](NC(=O)[O-])C1 ZINC000737812402 584920771 /nfs/dbraw/zinc/92/07/71/584920771.db2.gz OJNHDERZHBSSRG-QMMMGPOBSA-N -1 3 202.254 0.365 20 0 BCADHM CN1CC[C@@H](C(=O)Nc2ncccc2[O-])C1=O ZINC000681349529 487781884 /nfs/dbraw/zinc/78/18/84/487781884.db2.gz BHICOLUNQDRTPY-ZETCQYMHSA-N -1 3 235.243 0.204 20 0 BCADHM CN1CCC[C@@H](CNC(=O)c2cc(=O)[nH][n-]2)C1 ZINC000668462096 487785139 /nfs/dbraw/zinc/78/51/39/487785139.db2.gz KIXBIIWIZGXDMY-QMMMGPOBSA-N -1 3 238.291 0.187 20 0 BCADHM O=S(=O)(CC(F)(F)C(F)F)c1nnc[n-]1 ZINC000773997296 585647938 /nfs/dbraw/zinc/64/79/38/585647938.db2.gz BHJSOQKCWHSASR-UHFFFAOYSA-N -1 3 247.173 0.479 20 0 BCADHM CC(C)c1nnc([N-]CC(F)(F)CO)o1 ZINC000450447829 487798996 /nfs/dbraw/zinc/79/89/96/487798996.db2.gz YAFMBECJVLMMMY-UHFFFAOYSA-N -1 3 221.207 1.233 20 0 BCADHM O=C(Nc1c[nH]ccc1=O)c1csc(=O)[n-]1 ZINC000684272762 487812181 /nfs/dbraw/zinc/81/21/81/487812181.db2.gz PKCWWVFGZNRPKH-UHFFFAOYSA-N -1 3 237.240 0.789 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC000844084415 588157293 /nfs/dbraw/zinc/15/72/93/588157293.db2.gz OXRKRBIOZFIVJT-RQJHMYQMSA-N -1 3 201.222 0.253 20 0 BCADHM CCCO[N-]C(=O)Cc1cnn(CC)c1 ZINC000844087990 588165574 /nfs/dbraw/zinc/16/55/74/588165574.db2.gz JXLDZVLMESWZFL-UHFFFAOYSA-N -1 3 211.265 0.903 20 0 BCADHM Cc1cnc(C(=O)NCc2c[nH]nn2)c([O-])c1 ZINC000681734957 487849953 /nfs/dbraw/zinc/84/99/53/487849953.db2.gz OLGXGRJBKVVXFS-UHFFFAOYSA-N -1 3 233.231 0.144 20 0 BCADHM COc1ccc(NC(=O)c2nnc[n-]2)nc1 ZINC000676531475 487867135 /nfs/dbraw/zinc/86/71/35/487867135.db2.gz ZRICIFIXMXGCNF-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1ccc(NC(=O)c2nc[n-]n2)nc1 ZINC000676531475 487867139 /nfs/dbraw/zinc/86/71/39/487867139.db2.gz ZRICIFIXMXGCNF-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM NC(=O)C1(NC(=O)c2ccccc2[O-])CCC1 ZINC000676682433 487891275 /nfs/dbraw/zinc/89/12/75/487891275.db2.gz OUHLWXJGVPXHPD-UHFFFAOYSA-N -1 3 234.255 0.530 20 0 BCADHM O=C(Nc1ccccc1[O-])C1(n2cnnn2)CC1 ZINC000666921539 487906569 /nfs/dbraw/zinc/90/65/69/487906569.db2.gz XYVCCNAGTPNRKF-UHFFFAOYSA-N -1 3 245.242 0.507 20 0 BCADHM CN1C[C@H](C(=O)Nc2ccccc2[O-])NC1=O ZINC000666921366 487906280 /nfs/dbraw/zinc/90/62/80/487906280.db2.gz SGAGMRBNACTQHB-MRVPVSSYSA-N -1 3 235.243 0.354 20 0 BCADHM Cc1c[nH]nc1C(=O)NCc1ncccc1[O-] ZINC000669619952 487930611 /nfs/dbraw/zinc/93/06/11/487930611.db2.gz LUHNUVWAXACCGD-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM O=C(N[C@@H](CO)CCF)c1c([O-])cccc1O ZINC000653041899 487942606 /nfs/dbraw/zinc/94/26/06/487942606.db2.gz XZQCCCFGOLLHGC-SSDOTTSWSA-N -1 3 243.234 0.548 20 0 BCADHM CCO[C@@H]1COC[C@H]1NCc1ncccc1[O-] ZINC000569425713 322965821 /nfs/dbraw/zinc/96/58/21/322965821.db2.gz UWAURTJTLSTBAZ-ZYHUDNBSSA-N -1 3 238.287 0.681 20 0 BCADHM COC(=O)[C@@H](Sc1n[n-]c(CO)n1)C1CC1 ZINC000555865517 322977075 /nfs/dbraw/zinc/97/70/75/322977075.db2.gz FGKHXDMJBLCOSK-ZETCQYMHSA-N -1 3 243.288 0.341 20 0 BCADHM COC[C@@](C)(O)C(=O)Nc1nc(C)ccc1[O-] ZINC000560010829 322981873 /nfs/dbraw/zinc/98/18/73/322981873.db2.gz DOSPAVBNSAGGFV-LLVKDONJSA-N -1 3 240.259 0.432 20 0 BCADHM Cc1cccc(C(=O)NC2(C(N)=O)CC2)c1[O-] ZINC000150742173 322996214 /nfs/dbraw/zinc/99/62/14/322996214.db2.gz PTGMXCNJDJXGRS-UHFFFAOYSA-N -1 3 234.255 0.448 20 0 BCADHM Cc1nccc(Sc2n[n-]c(CO)n2)n1 ZINC000562308475 323015759 /nfs/dbraw/zinc/01/57/59/323015759.db2.gz RRSWOYRAVRXLHJ-UHFFFAOYSA-N -1 3 223.261 0.547 20 0 BCADHM O=C(CNC(=O)c1ccc([O-])cc1)NCCF ZINC000562484494 323021622 /nfs/dbraw/zinc/02/16/22/323021622.db2.gz MFMXFZGZRODOPS-UHFFFAOYSA-N -1 3 240.234 0.208 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)COC(F)F ZINC000569985521 323046944 /nfs/dbraw/zinc/04/69/44/323046944.db2.gz NOLSWQAQSWCIHD-UHFFFAOYSA-N -1 3 249.173 0.374 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)COC(F)F ZINC000569985521 323046945 /nfs/dbraw/zinc/04/69/45/323046945.db2.gz NOLSWQAQSWCIHD-UHFFFAOYSA-N -1 3 249.173 0.374 20 0 BCADHM CC1([N-]S(=O)(=O)c2c[nH]cn2)CCC1 ZINC000159989076 323056975 /nfs/dbraw/zinc/05/69/75/323056975.db2.gz FFGKDFWVDRAKTP-UHFFFAOYSA-N -1 3 215.278 0.631 20 0 BCADHM CC(C)(CO)C(=O)Nc1ncccc1[O-] ZINC000570498741 323061133 /nfs/dbraw/zinc/06/11/33/323061133.db2.gz QQEPJHHOELPLDL-UHFFFAOYSA-N -1 3 210.233 0.744 20 0 BCADHM O=S(=O)([N-]C[C@@H]1C[C@H]1C1CC1)c1c[nH]cn1 ZINC000570669365 323066620 /nfs/dbraw/zinc/06/66/20/323066620.db2.gz RLUMLILLQVAJFL-IUCAKERBSA-N -1 3 241.316 0.734 20 0 BCADHM CC[C@@H](NC(=O)[C@H]1C[C@@H](C)CCN1)C(=O)[O-] ZINC000160639115 323074141 /nfs/dbraw/zinc/07/41/41/323074141.db2.gz FVRHUQWFVKPWFL-DJLDLDEBSA-N -1 3 228.292 0.354 20 0 BCADHM NC(=O)CO[N-]C(=O)/C=C/c1cccc(F)c1 ZINC000160647059 323074421 /nfs/dbraw/zinc/07/44/21/323074421.db2.gz MMGPCZGEVMCIHM-SNAWJCMRSA-N -1 3 238.218 0.372 20 0 BCADHM CC[C@H](O)C[N-]S(=O)(=O)c1cscn1 ZINC000563059982 323083695 /nfs/dbraw/zinc/08/36/95/323083695.db2.gz UITJHDDDPNQGKT-LURJTMIESA-N -1 3 236.318 0.192 20 0 BCADHM CO[C@@H](C)C[N-]S(=O)(=O)c1cscn1 ZINC000563064050 323083882 /nfs/dbraw/zinc/08/38/82/323083882.db2.gz VRBHHYVDRACUNK-LURJTMIESA-N -1 3 236.318 0.456 20 0 BCADHM CCCN(C(=O)CN1CC(=O)[N-]C1=O)C(C)C ZINC000563409775 323124426 /nfs/dbraw/zinc/12/44/26/323124426.db2.gz ZUDHNFPHQZDXHS-UHFFFAOYSA-N -1 3 241.291 0.185 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)c1ccnn1C ZINC000563607833 323131294 /nfs/dbraw/zinc/13/12/94/323131294.db2.gz CYCQUEJEYLWIIN-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)c1ccnn1C ZINC000563607833 323131295 /nfs/dbraw/zinc/13/12/95/323131295.db2.gz CYCQUEJEYLWIIN-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM COC[C@@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000571417521 323144522 /nfs/dbraw/zinc/14/45/22/323144522.db2.gz QPMXFUUHONDVSE-MRVPVSSYSA-N -1 3 224.260 0.481 20 0 BCADHM COC[C@](C)(O)C(=O)Nc1cc(F)ccc1[O-] ZINC000534699672 323160024 /nfs/dbraw/zinc/16/00/24/323160024.db2.gz HEVNTDYQTPCPLI-NSHDSACASA-N -1 3 243.234 0.867 20 0 BCADHM CCc1cccc(C(=O)NCCO)c1[O-] ZINC000305129482 323167435 /nfs/dbraw/zinc/16/74/35/323167435.db2.gz QIUQNNCLNHOSKG-UHFFFAOYSA-N -1 3 209.245 0.677 20 0 BCADHM O=C(NCc1cccc(CO)c1)c1c[n-]nn1 ZINC000112830252 323172608 /nfs/dbraw/zinc/17/26/08/323172608.db2.gz REDULRPQSWZUSN-UHFFFAOYSA-N -1 3 232.243 0.227 20 0 BCADHM O=C(NCc1cccc(CO)c1)c1cnn[n-]1 ZINC000112830252 323172609 /nfs/dbraw/zinc/17/26/09/323172609.db2.gz REDULRPQSWZUSN-UHFFFAOYSA-N -1 3 232.243 0.227 20 0 BCADHM O=C(NCc1cccc(CO)c1)c1cn[n-]n1 ZINC000112830252 323172610 /nfs/dbraw/zinc/17/26/10/323172610.db2.gz REDULRPQSWZUSN-UHFFFAOYSA-N -1 3 232.243 0.227 20 0 BCADHM C[C@@]1(O)CCN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000567208623 323176511 /nfs/dbraw/zinc/17/65/11/323176511.db2.gz BULIPXDHGBRYNI-GFCCVEGCSA-N -1 3 246.270 0.555 20 0 BCADHM C[C@@]1(O)CCN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000567208623 323176512 /nfs/dbraw/zinc/17/65/12/323176512.db2.gz BULIPXDHGBRYNI-GFCCVEGCSA-N -1 3 246.270 0.555 20 0 BCADHM C[C@@]1(O)CCN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000567208623 323176513 /nfs/dbraw/zinc/17/65/13/323176513.db2.gz BULIPXDHGBRYNI-GFCCVEGCSA-N -1 3 246.270 0.555 20 0 BCADHM CC(C)N(C)CC(=O)NC1(C(=O)[O-])CCCC1 ZINC000532862801 323303453 /nfs/dbraw/zinc/30/34/53/323303453.db2.gz RMUAJVFFLPXVDG-UHFFFAOYSA-N -1 3 242.319 0.840 20 0 BCADHM C[C@H]1C[C@@H](O)CN1C(=O)c1cccc2[n-]nnc21 ZINC000530416440 323385868 /nfs/dbraw/zinc/38/58/68/323385868.db2.gz PDBICCGBUCRQFJ-JGVFFNPUSA-N -1 3 246.270 0.553 20 0 BCADHM C[C@H]1C[C@@H](O)CN1C(=O)c1cccc2nn[n-]c21 ZINC000530416440 323385869 /nfs/dbraw/zinc/38/58/69/323385869.db2.gz PDBICCGBUCRQFJ-JGVFFNPUSA-N -1 3 246.270 0.553 20 0 BCADHM C[C@H]1C[C@@H](O)CN1C(=O)c1cccc2n[n-]nc21 ZINC000530416440 323385873 /nfs/dbraw/zinc/38/58/73/323385873.db2.gz PDBICCGBUCRQFJ-JGVFFNPUSA-N -1 3 246.270 0.553 20 0 BCADHM O=C([N-]c1cnns1)Nc1cn[nH]c1 ZINC000192370684 324197390 /nfs/dbraw/zinc/19/73/90/324197390.db2.gz GZBSVHRSOZKACG-UHFFFAOYSA-N -1 3 210.222 0.905 20 0 BCADHM Cc1cncn1CC(=O)NCc1ncccc1[O-] ZINC000529223683 324263209 /nfs/dbraw/zinc/26/32/09/324263209.db2.gz WCMAMLUBCGBTDK-UHFFFAOYSA-N -1 3 246.270 0.609 20 0 BCADHM Cc1ncc(CNC(=O)C2CC(=O)C2)c(=O)[n-]1 ZINC000542387816 325024136 /nfs/dbraw/zinc/02/41/36/325024136.db2.gz BVBVXHZZOFOMAT-UHFFFAOYSA-N -1 3 235.243 0.086 20 0 BCADHM Cn1cc(C[S@](=O)c2cccc([O-])c2)nn1 ZINC000542689169 325041595 /nfs/dbraw/zinc/04/15/95/325041595.db2.gz QMQBGOYZADQYQE-INIZCTEOSA-N -1 3 237.284 0.829 20 0 BCADHM COC[C@@](C)(O)C(=O)Nc1ncccc1[O-] ZINC000544025654 325127660 /nfs/dbraw/zinc/12/76/60/325127660.db2.gz QPUQKSYQWOOKMO-SNVBAGLBSA-N -1 3 226.232 0.123 20 0 BCADHM COc1ccc(C(=O)N[C@H]2CCOC2)c([O-])c1 ZINC000131556341 325163795 /nfs/dbraw/zinc/16/37/95/325163795.db2.gz WWCRXTSYSSVGRT-QMMMGPOBSA-N -1 3 237.255 0.920 20 0 BCADHM N=c1nc(N2CC[C@@H](C3CC3)C2)nc2[nH][n-]cc1-2 ZINC000545474819 325224817 /nfs/dbraw/zinc/22/48/17/325224817.db2.gz PNIRCLGTUODNBR-MRVPVSSYSA-N -1 3 244.302 0.953 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CCC[C@H]1CO ZINC000133137112 325271437 /nfs/dbraw/zinc/27/14/37/325271437.db2.gz PXIFSZPAXYICPF-UFFNRZRYSA-N -1 3 248.282 0.784 20 0 BCADHM O=C(NCc1ncc[nH]1)c1ccc(O)cc1[O-] ZINC000080587358 325482374 /nfs/dbraw/zinc/48/23/74/325482374.db2.gz VCZFEADDCYLFNW-UHFFFAOYSA-N -1 3 233.227 0.751 20 0 BCADHM CCc1ncc([N-]S(=O)(=O)N2CCC2)cn1 ZINC000551949413 325575973 /nfs/dbraw/zinc/57/59/73/325575973.db2.gz VXORRBBEZDLMBO-UHFFFAOYSA-N -1 3 242.304 0.401 20 0 BCADHM CC(=O)c1cccc(NC(=O)[C@H](C)O)c1[O-] ZINC000565022653 325847057 /nfs/dbraw/zinc/84/70/57/325847057.db2.gz HYQLRZPBDKDBDK-ZETCQYMHSA-N -1 3 223.228 0.914 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCCn1ccnc1 ZINC000565213414 325876187 /nfs/dbraw/zinc/87/61/87/325876187.db2.gz MNEVGOBADDTERX-UHFFFAOYSA-N -1 3 246.270 0.343 20 0 BCADHM CN(Cc1cc[nH]n1)C(=O)Cc1cncc([O-])c1 ZINC000566471463 326052562 /nfs/dbraw/zinc/05/25/62/326052562.db2.gz VUZZXOYMQWZPQW-UHFFFAOYSA-N -1 3 246.270 0.711 20 0 BCADHM COCCN(C)C(=O)Cc1cncc([O-])c1 ZINC000566471879 326053151 /nfs/dbraw/zinc/05/31/51/326053151.db2.gz ZDGCXXCZPCRMFA-UHFFFAOYSA-N -1 3 224.260 0.435 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CC[C@@H](O)C1 ZINC000566580024 326066286 /nfs/dbraw/zinc/06/62/86/326066286.db2.gz KTJNIQRBNXCSAD-SSDOTTSWSA-N -1 3 232.243 0.165 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CC[C@@H](O)C1 ZINC000566580024 326066288 /nfs/dbraw/zinc/06/62/88/326066288.db2.gz KTJNIQRBNXCSAD-SSDOTTSWSA-N -1 3 232.243 0.165 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CC[C@@H](O)C1 ZINC000566580024 326066291 /nfs/dbraw/zinc/06/62/91/326066291.db2.gz KTJNIQRBNXCSAD-SSDOTTSWSA-N -1 3 232.243 0.165 20 0 BCADHM O=C1NCC[C@]12CCCN2Cc1ncccc1[O-] ZINC000566982207 326099306 /nfs/dbraw/zinc/09/93/06/326099306.db2.gz STZGDBWVGADDPU-CYBMUJFWSA-N -1 3 247.298 0.642 20 0 BCADHM COC(=O)C[C@H](N)C(=O)Nc1ccccc1[O-] ZINC000567747162 326254646 /nfs/dbraw/zinc/25/46/46/326254646.db2.gz ZMKCZOVIVUALRV-ZETCQYMHSA-N -1 3 238.243 0.221 20 0 BCADHM CCO[C@@H]1C[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000568413744 326355785 /nfs/dbraw/zinc/35/57/85/326355785.db2.gz PLCZDAMBLRMLMT-GHMZBOCLSA-N -1 3 236.271 0.623 20 0 BCADHM C[C@H](O)CCCNC(=O)Cc1cncc([O-])c1 ZINC000568647105 326370789 /nfs/dbraw/zinc/37/07/89/326370789.db2.gz KMQNBGGAWCSICJ-VIFPVBQESA-N -1 3 238.287 0.607 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C2(C)CC=CC2)n1 ZINC000655629330 487989685 /nfs/dbraw/zinc/98/96/85/487989685.db2.gz IANYNCVYZGGRQP-UHFFFAOYSA-N -1 3 241.316 0.807 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CC[C@@H](CO)C1 ZINC000682163336 487999767 /nfs/dbraw/zinc/99/97/67/487999767.db2.gz JLNDIIVOBXMMHD-MRVPVSSYSA-N -1 3 246.270 0.412 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CC[C@@H](CO)C1 ZINC000682163336 487999772 /nfs/dbraw/zinc/99/97/72/487999772.db2.gz JLNDIIVOBXMMHD-MRVPVSSYSA-N -1 3 246.270 0.412 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CC[C@@H](CO)C1 ZINC000682163336 487999777 /nfs/dbraw/zinc/99/97/77/487999777.db2.gz JLNDIIVOBXMMHD-MRVPVSSYSA-N -1 3 246.270 0.412 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CC[C@H](CO)C1 ZINC000682163337 487999825 /nfs/dbraw/zinc/99/98/25/487999825.db2.gz JLNDIIVOBXMMHD-QMMMGPOBSA-N -1 3 246.270 0.412 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CC[C@H](CO)C1 ZINC000682163337 487999828 /nfs/dbraw/zinc/99/98/28/487999828.db2.gz JLNDIIVOBXMMHD-QMMMGPOBSA-N -1 3 246.270 0.412 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CC[C@H](CO)C1 ZINC000682163337 487999829 /nfs/dbraw/zinc/99/98/29/487999829.db2.gz JLNDIIVOBXMMHD-QMMMGPOBSA-N -1 3 246.270 0.412 20 0 BCADHM CC(C)(CO)CNC(=O)Cc1cncc([O-])c1 ZINC000655393287 488004073 /nfs/dbraw/zinc/00/40/73/488004073.db2.gz DLIVZAYSAUGLBF-UHFFFAOYSA-N -1 3 238.287 0.464 20 0 BCADHM C[C@H](CCO)NC(=O)Cc1cncc([O-])c1 ZINC000655393408 488003773 /nfs/dbraw/zinc/00/37/73/488003773.db2.gz QFLKZFHJNWKISA-MRVPVSSYSA-N -1 3 224.260 0.217 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C1CCC1 ZINC000677313669 488014082 /nfs/dbraw/zinc/01/40/82/488014082.db2.gz FWHZUOFDECTJBM-QMMMGPOBSA-N -1 3 243.332 0.887 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](N)C(C)C ZINC000044624884 488028856 /nfs/dbraw/zinc/02/88/56/488028856.db2.gz ZCZYBFMYZGIEFW-SFYZADRCSA-N -1 3 216.281 0.291 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-]C2(CO)CC2)s1 ZINC000235970360 488034515 /nfs/dbraw/zinc/03/45/15/488034515.db2.gz SMFSNWRZHIGBPD-UHFFFAOYSA-N -1 3 248.329 0.255 20 0 BCADHM CN(CCNc1cncc(C(=O)[O-])n1)C1CC1 ZINC000091421734 488050543 /nfs/dbraw/zinc/05/05/43/488050543.db2.gz MIGWFTOWJHZNOR-UHFFFAOYSA-N -1 3 236.275 0.681 20 0 BCADHM CC(C)CN(CCN(C)C)C(=O)[C@@H](C)C(=O)[O-] ZINC000229343771 488100934 /nfs/dbraw/zinc/10/09/34/488100934.db2.gz KYARSKLYRAKGEF-SNVBAGLBSA-N -1 3 244.335 0.753 20 0 BCADHM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCN(C)C1 ZINC000258678932 488127256 /nfs/dbraw/zinc/12/72/56/488127256.db2.gz DFCKMDIBEJDQFU-VHSXEESVSA-N -1 3 242.319 0.554 20 0 BCADHM COc1ccc([O-])c(C(=O)NC2COC2)c1 ZINC000094710705 487551397 /nfs/dbraw/zinc/55/13/97/487551397.db2.gz WJWSYJGEAVINIB-UHFFFAOYSA-N -1 3 223.228 0.529 20 0 BCADHM CCCN(C)CC(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000653343129 487473373 /nfs/dbraw/zinc/47/33/73/487473373.db2.gz OCWMGUOFNOSZBI-VIFPVBQESA-N -1 3 230.308 0.650 20 0 BCADHM O=C(Nc1ncccc1[O-])c1cc(CO)on1 ZINC000673921282 487479023 /nfs/dbraw/zinc/47/90/23/487479023.db2.gz LVVIQTPSBYDGKD-UHFFFAOYSA-N -1 3 235.199 0.520 20 0 BCADHM CCc1cc([N-]C(=O)c2cn(C)nn2)no1 ZINC000685436961 487522245 /nfs/dbraw/zinc/52/22/45/487522245.db2.gz KASZWEKRKYXYMG-UHFFFAOYSA-N -1 3 221.220 0.618 20 0 BCADHM Cc1noc([C@H](C)Sc2n[n-]c(CO)n2)n1 ZINC000683454769 488165392 /nfs/dbraw/zinc/16/53/92/488165392.db2.gz URYNIJVUWBUJDH-BYPYZUCNSA-N -1 3 241.276 0.842 20 0 BCADHM Cc1noc([N-]C(=O)c2cnn3ncccc23)n1 ZINC000683406475 488158647 /nfs/dbraw/zinc/15/86/47/488158647.db2.gz YRAIDMQZALFFAK-UHFFFAOYSA-N -1 3 244.214 0.673 20 0 BCADHM CCn1cc(CNCc2nc(C)ccc2[O-])nn1 ZINC000404510356 488166035 /nfs/dbraw/zinc/16/60/35/488166035.db2.gz QEDOUTGBPWCVOW-UHFFFAOYSA-N -1 3 247.302 0.997 20 0 BCADHM CN(CCN1CCCCC1)C(=O)C(=O)[O-] ZINC000083907437 488214849 /nfs/dbraw/zinc/21/48/49/488214849.db2.gz YXSODTDMSUDJRD-UHFFFAOYSA-N -1 3 214.265 0.015 20 0 BCADHM O=S(=O)([N-][C@@H]1[C@@H]2CCC[C@@H]21)c1c[nH]cn1 ZINC000683762528 488217566 /nfs/dbraw/zinc/21/75/66/488217566.db2.gz CLQHWSMGRNTEGQ-SRSLHRDFSA-N -1 3 227.289 0.487 20 0 BCADHM N[C@@H](C(=O)N(CC(=O)[O-])CC1CC1)C1CCC1 ZINC000399008011 488226045 /nfs/dbraw/zinc/22/60/45/488226045.db2.gz VMYGBPBLZSXJME-LLVKDONJSA-N -1 3 240.303 0.437 20 0 BCADHM Cn1cc(C(=O)N2CCC[C@@H]3C[C@@H]32)c(=O)[n-]c1=O ZINC000672122834 488237856 /nfs/dbraw/zinc/23/78/56/488237856.db2.gz ROXXLJCUGJLIBM-APPZFPTMSA-N -1 3 249.270 0.110 20 0 BCADHM Cc1ccc([O-])c(CNC[C@H]2CCCC(=O)N2)n1 ZINC000683932532 488247269 /nfs/dbraw/zinc/24/72/69/488247269.db2.gz MILYJRBOYBCARG-SNVBAGLBSA-N -1 3 249.314 0.854 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H](C)N(C)C)n1 ZINC000684064307 488255435 /nfs/dbraw/zinc/25/54/35/488255435.db2.gz XNVMTQJWRIOIEN-QMMMGPOBSA-N -1 3 223.276 0.984 20 0 BCADHM CC1(C)CN(C(=O)C(=O)[N-]c2cnns2)C1 ZINC000684033352 488257712 /nfs/dbraw/zinc/25/77/12/488257712.db2.gz VGLZDWKOZPAFJX-UHFFFAOYSA-N -1 3 240.288 0.345 20 0 BCADHM COc1nc(NC(=O)C2CCC(=O)CC2)n[n-]1 ZINC000679320575 488335335 /nfs/dbraw/zinc/33/53/35/488335335.db2.gz YDCIPLZJEJWFFO-UHFFFAOYSA-N -1 3 238.247 0.511 20 0 BCADHM COc1nnc(NC(=O)C2CCC(=O)CC2)[n-]1 ZINC000679320575 488335336 /nfs/dbraw/zinc/33/53/36/488335336.db2.gz YDCIPLZJEJWFFO-UHFFFAOYSA-N -1 3 238.247 0.511 20 0 BCADHM COc1n[n-]c(NC(=O)C2CCC(=O)CC2)n1 ZINC000679320575 488335338 /nfs/dbraw/zinc/33/53/38/488335338.db2.gz YDCIPLZJEJWFFO-UHFFFAOYSA-N -1 3 238.247 0.511 20 0 BCADHM COc1nc(NC(=O)C2(C)CCOCC2)n[n-]1 ZINC000679320313 488335502 /nfs/dbraw/zinc/33/55/02/488335502.db2.gz QTGOLHWXQKBMHO-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nnc(NC(=O)C2(C)CCOCC2)[n-]1 ZINC000679320313 488335503 /nfs/dbraw/zinc/33/55/03/488335503.db2.gz QTGOLHWXQKBMHO-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COc1n[n-]c(NC(=O)C2(C)CCOCC2)n1 ZINC000679320313 488335504 /nfs/dbraw/zinc/33/55/04/488335504.db2.gz QTGOLHWXQKBMHO-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM NC(=O)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000673412468 488285470 /nfs/dbraw/zinc/28/54/70/488285470.db2.gz DTFBRZFEIXQOIO-VIFPVBQESA-N -1 3 248.282 0.730 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1CC(F)(F)C1 ZINC000684295759 488288032 /nfs/dbraw/zinc/28/80/32/488288032.db2.gz SHYBGKGYTWXWEH-UHFFFAOYSA-N -1 3 220.200 0.940 20 0 BCADHM CCCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673545166 488295322 /nfs/dbraw/zinc/29/53/22/488295322.db2.gz OVIJIPAGDJDKOS-UHFFFAOYSA-N -1 3 211.265 0.559 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1CCCC1 ZINC000673545848 488295366 /nfs/dbraw/zinc/29/53/66/488295366.db2.gz GZYMXAFBNTZTHE-UHFFFAOYSA-N -1 3 237.303 0.949 20 0 BCADHM CC[C@@H](C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673544086 488295388 /nfs/dbraw/zinc/29/53/88/488295388.db2.gz OBQYDCLMTGGXMB-MRVPVSSYSA-N -1 3 225.292 0.805 20 0 BCADHM COCCCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673544694 488295427 /nfs/dbraw/zinc/29/54/27/488295427.db2.gz GJINVHNLCVSFDO-UHFFFAOYSA-N -1 3 241.291 0.185 20 0 BCADHM CC[C@H](OC)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673546249 488295653 /nfs/dbraw/zinc/29/56/53/488295653.db2.gz XFOMFKUKYUJTNS-VIFPVBQESA-N -1 3 241.291 0.184 20 0 BCADHM COc1nc(NC(=O)CCn2cccc2)n[n-]1 ZINC000679319653 488334366 /nfs/dbraw/zinc/33/43/66/488334366.db2.gz PESYJLUPOIKJEO-UHFFFAOYSA-N -1 3 235.247 0.644 20 0 BCADHM COc1nnc(NC(=O)CCn2cccc2)[n-]1 ZINC000679319653 488334367 /nfs/dbraw/zinc/33/43/67/488334367.db2.gz PESYJLUPOIKJEO-UHFFFAOYSA-N -1 3 235.247 0.644 20 0 BCADHM COc1n[n-]c(NC(=O)CCn2cccc2)n1 ZINC000679319653 488334369 /nfs/dbraw/zinc/33/43/69/488334369.db2.gz PESYJLUPOIKJEO-UHFFFAOYSA-N -1 3 235.247 0.644 20 0 BCADHM CO[C@@H](C)[C@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626619057 490202686 /nfs/dbraw/zinc/20/26/86/490202686.db2.gz YTSBSEFQAOGYNB-BQBZGAKWSA-N -1 3 225.248 0.335 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)O)c(F)c1 ZINC000123036251 490247171 /nfs/dbraw/zinc/24/71/71/490247171.db2.gz RGVADLFMTNVNND-QMMMGPOBSA-N -1 3 247.291 0.793 20 0 BCADHM O=C([N-]n1cn[nH]c1=O)[C@@H]1CCCCC1(F)F ZINC000297562531 490317750 /nfs/dbraw/zinc/31/77/50/490317750.db2.gz RPEWKARFCLYLKP-LURJTMIESA-N -1 3 246.217 0.467 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCN(C)C1=O ZINC000625749725 490329109 /nfs/dbraw/zinc/32/91/09/490329109.db2.gz QZBKJYVBWPLAGP-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM O=S(=O)([N-]CC1(CO)CC1)c1ccccn1 ZINC000305728966 490475240 /nfs/dbraw/zinc/47/52/40/490475240.db2.gz YQXXDTXNDJIRSF-UHFFFAOYSA-N -1 3 242.300 0.132 20 0 BCADHM CCO[C@H]1C[C@@H](N=c2nc3[nH][n-]cc-3c(N)n2)C1 ZINC000665730649 491087474 /nfs/dbraw/zinc/08/74/74/491087474.db2.gz XLBNFXKTDLLJLU-KNVOCYPGSA-N -1 3 248.290 0.288 20 0 BCADHM CC(C)C[C@@H](N)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000087513550 491089552 /nfs/dbraw/zinc/08/95/52/491089552.db2.gz ALUFVXRHMFTOKD-VHSXEESVSA-N -1 3 244.335 0.833 20 0 BCADHM CCN(C(=O)c1cccc([O-])c1)[C@@H]1CCNC1=O ZINC000282348746 491111555 /nfs/dbraw/zinc/11/15/55/491111555.db2.gz YBCQFODWWKWQGV-LLVKDONJSA-N -1 3 248.282 0.743 20 0 BCADHM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000305222440 533727427 /nfs/dbraw/zinc/72/74/27/533727427.db2.gz WKAASNTUYYABHT-HTQZYQBOSA-N -1 3 247.320 0.095 20 0 BCADHM COC(=O)N1CCC[C@@H](C(=O)[N-]OC(C)C)C1 ZINC000496539272 533963644 /nfs/dbraw/zinc/96/36/44/533963644.db2.gz KGTMEXWHDARGML-SECBINFHSA-N -1 3 244.291 0.921 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@H]1CC12CCC2 ZINC000891339964 582667290 /nfs/dbraw/zinc/66/72/90/582667290.db2.gz MDOSKABBGIEHRP-ZETCQYMHSA-N -1 3 221.264 0.822 20 0 BCADHM COC(=O)NCCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000497019302 534063052 /nfs/dbraw/zinc/06/30/52/534063052.db2.gz RNAAZHVOGXZKIE-LURJTMIESA-N -1 3 245.304 0.340 20 0 BCADHM COC(=O)NCCC(=O)Nc1ncccc1[O-] ZINC000491273983 534080702 /nfs/dbraw/zinc/08/07/02/534080702.db2.gz QEHOBQYOKLEKFL-UHFFFAOYSA-N -1 3 239.231 0.472 20 0 BCADHM COC(=O)NCCCC(=O)[N-]OC(C)C ZINC000496384066 534098279 /nfs/dbraw/zinc/09/82/79/534098279.db2.gz GQTHUCVQQRZKLH-UHFFFAOYSA-N -1 3 218.253 0.579 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]OC[C@@H]1CCOC1 ZINC000492871295 534803467 /nfs/dbraw/zinc/80/34/67/534803467.db2.gz XGEOHIVMYPWVDM-JKERVTFKSA-N -1 3 237.259 0.507 20 0 BCADHM CCCN1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000261576048 534900263 /nfs/dbraw/zinc/90/02/63/534900263.db2.gz KBILUZHDXQUFJS-IUCAKERBSA-N -1 3 228.292 0.450 20 0 BCADHM CCO/C=C/C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000493108900 528480857 /nfs/dbraw/zinc/48/08/57/528480857.db2.gz UERUSTUKBPWSMC-VPIOIWJLSA-N -1 3 239.275 0.165 20 0 BCADHM CCOC[C@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000494295258 528978856 /nfs/dbraw/zinc/97/88/56/528978856.db2.gz INVBOAPKSQSADV-QMMMGPOBSA-N -1 3 247.320 0.123 20 0 BCADHM CC(C)[C@@H](C(=O)N(C)[C@@H](C)C(=O)[O-])N(C)C ZINC000261569107 535129799 /nfs/dbraw/zinc/12/97/99/535129799.db2.gz GCYLWCYMCKJSND-IUCAKERBSA-N -1 3 230.308 0.504 20 0 BCADHM CC(C)[C@@H](C(=O)N(C)[C@H](C)C(=O)[O-])N(C)C ZINC000261569105 535129721 /nfs/dbraw/zinc/12/97/21/535129721.db2.gz GCYLWCYMCKJSND-BDAKNGLRSA-N -1 3 230.308 0.504 20 0 BCADHM CC[C@@H](C)CS(=O)(=O)[N-]CC(=O)OC ZINC000172086791 535529678 /nfs/dbraw/zinc/52/96/78/535529678.db2.gz WUEGKSQFCUCFLD-SSDOTTSWSA-N -1 3 223.294 0.125 20 0 BCADHM O=C(CCC1CCCC1)[N-]OCCO ZINC000776581039 583124003 /nfs/dbraw/zinc/12/40/03/583124003.db2.gz BYPBSZXTVUOZRJ-UHFFFAOYSA-N -1 3 201.266 0.997 20 0 BCADHM CCO[C@@H]1COC[C@H]1Nc1cc(=O)[n-]cn1 ZINC000894113460 583309069 /nfs/dbraw/zinc/30/90/69/583309069.db2.gz PAQLJZABGMPUOS-HTQZYQBOSA-N -1 3 225.248 0.398 20 0 BCADHM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1N ZINC000853059721 588718079 /nfs/dbraw/zinc/71/80/79/588718079.db2.gz JFFFUHVGQXMEDL-SFYZADRCSA-N -1 3 228.292 0.293 20 0 BCADHM CCOC([O-])=NOCC1(C(=O)OC)CC1 ZINC000853728400 588759496 /nfs/dbraw/zinc/75/94/96/588759496.db2.gz YUCJFERWBBIGST-UHFFFAOYSA-N -1 3 217.221 0.617 20 0 BCADHM CCOC(=O)[N-]OCC1(C(=O)OC)CC1 ZINC000853728400 588759497 /nfs/dbraw/zinc/75/94/97/588759497.db2.gz YUCJFERWBBIGST-UHFFFAOYSA-N -1 3 217.221 0.617 20 0 BCADHM CCOC([O-])=NOC[C@H](OC)[C@@H]1CCOC1 ZINC000853727346 588759586 /nfs/dbraw/zinc/75/95/86/588759586.db2.gz JAHSWHBJHQYTIL-BDAKNGLRSA-N -1 3 233.264 0.716 20 0 BCADHM CCOC(=O)[N-]OC[C@H](OC)[C@@H]1CCOC1 ZINC000853727346 588759587 /nfs/dbraw/zinc/75/95/87/588759587.db2.gz JAHSWHBJHQYTIL-BDAKNGLRSA-N -1 3 233.264 0.716 20 0 BCADHM CCOC([O-])=NOC[C@H](OC)[C@H]1CCOC1 ZINC000853727348 588759725 /nfs/dbraw/zinc/75/97/25/588759725.db2.gz JAHSWHBJHQYTIL-IUCAKERBSA-N -1 3 233.264 0.716 20 0 BCADHM CCOC(=O)[N-]OC[C@H](OC)[C@H]1CCOC1 ZINC000853727348 588759726 /nfs/dbraw/zinc/75/97/26/588759726.db2.gz JAHSWHBJHQYTIL-IUCAKERBSA-N -1 3 233.264 0.716 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCOC(F)F ZINC000853915947 588768667 /nfs/dbraw/zinc/76/86/67/588768667.db2.gz GYPRSZDRANZXGE-UHFFFAOYSA-N -1 3 221.163 0.509 20 0 BCADHM CN(C)C1(C(=O)[N-]C2=NCCS2)CC1 ZINC000854292675 588782666 /nfs/dbraw/zinc/78/26/66/588782666.db2.gz IUVNJKPNSNVALO-UHFFFAOYSA-N -1 3 213.306 0.300 20 0 BCADHM O=C([N-]C1=NCCS1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000854292166 588782915 /nfs/dbraw/zinc/78/29/15/588782915.db2.gz DFBZCFZJJQHPLA-ZMONIFLSSA-N -1 3 212.274 0.098 20 0 BCADHM O=C(NN1CCCC1)c1cc(F)cc2nn[n-]c21 ZINC000854327439 588784116 /nfs/dbraw/zinc/78/41/16/588784116.db2.gz ZEDMDWXDUBGFBN-UHFFFAOYSA-N -1 3 249.249 0.838 20 0 BCADHM O=C(NN1CCCC1)c1cc(F)cc2[n-]nnc21 ZINC000854327439 588784117 /nfs/dbraw/zinc/78/41/17/588784117.db2.gz ZEDMDWXDUBGFBN-UHFFFAOYSA-N -1 3 249.249 0.838 20 0 BCADHM O=C(NN1CCCC1)c1cc(F)cc2n[n-]nc21 ZINC000854327439 588784118 /nfs/dbraw/zinc/78/41/18/588784118.db2.gz ZEDMDWXDUBGFBN-UHFFFAOYSA-N -1 3 249.249 0.838 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H]1C(=O)NCC[C@H]1C ZINC000854335902 588784593 /nfs/dbraw/zinc/78/45/93/588784593.db2.gz KBGDUUDJYPVVNB-RQJHMYQMSA-N -1 3 234.246 0.673 20 0 BCADHM CCC[C@](C)(O)C(=O)[N-]OC1CCN(C)CC1 ZINC000854357131 588784913 /nfs/dbraw/zinc/78/49/13/588784913.db2.gz RJEQQMGZOYZJEB-LBPRGKRZSA-N -1 3 244.335 0.680 20 0 BCADHM O=C(c1ccccc1[O-])N1CCCNC(=O)C1 ZINC000112210167 588785999 /nfs/dbraw/zinc/78/59/99/588785999.db2.gz USQJSCGKXTYLDZ-UHFFFAOYSA-N -1 3 234.255 0.354 20 0 BCADHM O=C(N[C@@H]1COC(=O)C1)c1cccc2nn[n-]c21 ZINC000854555359 588794344 /nfs/dbraw/zinc/79/43/44/588794344.db2.gz IZEZGANRAWPVSI-LURJTMIESA-N -1 3 246.226 0.003 20 0 BCADHM O=C(N[C@@H]1COC(=O)C1)c1cccc2[n-]nnc21 ZINC000854555359 588794345 /nfs/dbraw/zinc/79/43/45/588794345.db2.gz IZEZGANRAWPVSI-LURJTMIESA-N -1 3 246.226 0.003 20 0 BCADHM O=C(N[C@@H]1COC(=O)C1)c1cccc2n[n-]nc21 ZINC000854555359 588794346 /nfs/dbraw/zinc/79/43/46/588794346.db2.gz IZEZGANRAWPVSI-LURJTMIESA-N -1 3 246.226 0.003 20 0 BCADHM O=C(N[C@@H]1COC(=O)C1)c1ccc(O)cc1[O-] ZINC000854557996 588794471 /nfs/dbraw/zinc/79/44/71/588794471.db2.gz RAPVWWSPJBTSLS-LURJTMIESA-N -1 3 237.211 0.143 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000854603242 588796904 /nfs/dbraw/zinc/79/69/04/588796904.db2.gz UXYDGZWEVKIGBU-IMSYWVGJSA-N -1 3 213.277 0.973 20 0 BCADHM CCn1ncn([N-]C(=O)c2ccnc(C)c2)c1=O ZINC000854628117 588797949 /nfs/dbraw/zinc/79/79/49/588797949.db2.gz JZDGWNHBYPTNGF-UHFFFAOYSA-N -1 3 247.258 0.152 20 0 BCADHM CCn1ncn([N-]C(=O)c2cnccc2C)c1=O ZINC000854629668 588798012 /nfs/dbraw/zinc/79/80/12/588798012.db2.gz HJLWFIIBPPXAEE-UHFFFAOYSA-N -1 3 247.258 0.152 20 0 BCADHM CCn1ncn([N-]C(=O)c2cncc(C)c2)c1=O ZINC000854630005 588798073 /nfs/dbraw/zinc/79/80/73/588798073.db2.gz PRTKNNWKSRRZDY-UHFFFAOYSA-N -1 3 247.258 0.152 20 0 BCADHM COCCCOCCC(=O)[N-]OC(C)(C)CO ZINC000854753462 588805423 /nfs/dbraw/zinc/80/54/23/588805423.db2.gz GLTZPQKCEGLVQG-UHFFFAOYSA-N -1 3 249.307 0.248 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCc1ccon1 ZINC000854755218 588805742 /nfs/dbraw/zinc/80/57/42/588805742.db2.gz XKEHGDSTXPAVGR-UHFFFAOYSA-N -1 3 228.248 0.426 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CCOC1 ZINC000854806956 588811569 /nfs/dbraw/zinc/81/15/69/588811569.db2.gz HIFCXWYXFKBCJT-OWOJBTEDSA-N -1 3 220.228 0.617 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H]2C=CCC2)nn1 ZINC000867506461 582458689 /nfs/dbraw/zinc/45/86/89/582458689.db2.gz XPAOZXJDOQGFTI-VIFPVBQESA-N -1 3 239.300 0.782 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1nc(C(N)=O)co1 ZINC000855344557 588828553 /nfs/dbraw/zinc/82/85/53/588828553.db2.gz YCEWFAZJIGBYKZ-UHFFFAOYSA-N -1 3 247.201 0.435 20 0 BCADHM O=C([N-]C/C=C/CO)C(F)(F)c1nccs1 ZINC000855399667 588831414 /nfs/dbraw/zinc/83/14/14/588831414.db2.gz OOZUPGIDUOKFEE-OWOJBTEDSA-N -1 3 248.254 0.900 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@@H](O)[C@H](F)C1 ZINC000890704735 582509555 /nfs/dbraw/zinc/50/95/55/582509555.db2.gz JGZDNEYIQHFURH-MWLCHTKSSA-N -1 3 239.246 0.937 20 0 BCADHM COCCO[N-]C(=O)[C@@H](C)CSC ZINC000300758401 582578037 /nfs/dbraw/zinc/57/80/37/582578037.db2.gz GVVPJEIPNGULNZ-ZETCQYMHSA-N -1 3 207.295 0.680 20 0 BCADHM Cc1ncccc1CCNC(=O)c1c[n-]nn1 ZINC000890836025 582579298 /nfs/dbraw/zinc/57/92/98/582579298.db2.gz SLFITKLQBLSUAV-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM Cc1ncccc1CCNC(=O)c1cnn[n-]1 ZINC000890836025 582579301 /nfs/dbraw/zinc/57/93/01/582579301.db2.gz SLFITKLQBLSUAV-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM Cc1ncccc1CCNC(=O)c1cn[n-]n1 ZINC000890836025 582579303 /nfs/dbraw/zinc/57/93/03/582579303.db2.gz SLFITKLQBLSUAV-UHFFFAOYSA-N -1 3 231.259 0.481 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H](C)C(F)(F)F ZINC000891338859 582666735 /nfs/dbraw/zinc/66/67/35/582666735.db2.gz CLQCHTPAZSMDJE-BYPYZUCNSA-N -1 3 237.185 0.830 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H](C)[C@@H](C)COC ZINC000891340314 582667114 /nfs/dbraw/zinc/66/71/14/582667114.db2.gz PUDRSOJYDIXUKV-JGVFFNPUSA-N -1 3 241.295 0.550 20 0 BCADHM CC/C(C)=C\C(=O)[N-]c1nnnn1CC ZINC000891340311 582667145 /nfs/dbraw/zinc/66/71/45/582667145.db2.gz POHYJVZJRLPAFU-SREVYHEPSA-N -1 3 209.253 0.988 20 0 BCADHM CC[C@H]1CC[C@@H](C(=O)[N-]c2nnnn2CC)O1 ZINC000891340934 582667721 /nfs/dbraw/zinc/66/77/21/582667721.db2.gz VIKDLUBUSKVLRH-YUMQZZPRSA-N -1 3 239.279 0.589 20 0 BCADHM O=C1CCCN1CCCNc1cc(=O)[n-]cn1 ZINC000891404764 582678886 /nfs/dbraw/zinc/67/88/86/582678886.db2.gz NJZXFCCBSUAWGZ-UHFFFAOYSA-N -1 3 236.275 0.607 20 0 BCADHM CO[C@@H](C)CC(=O)[N-]OCCN1CCCC1=O ZINC000856039038 588858271 /nfs/dbraw/zinc/85/82/71/588858271.db2.gz NACXROVKKMZZIQ-VIFPVBQESA-N -1 3 244.291 0.082 20 0 BCADHM CO[C@H](C)CC(=O)[N-]OCCN1CCCC1=O ZINC000856039037 588858376 /nfs/dbraw/zinc/85/83/76/588858376.db2.gz NACXROVKKMZZIQ-SECBINFHSA-N -1 3 244.291 0.082 20 0 BCADHM O=C(CCC1CC1)[N-]OCCN1CCCC1=O ZINC000856039733 588858384 /nfs/dbraw/zinc/85/83/84/588858384.db2.gz GOJGLEQVOSYBNE-UHFFFAOYSA-N -1 3 240.303 0.847 20 0 BCADHM O=c1cc(N2CCC[C@@H](OCCO)C2)nc[n-]1 ZINC000892554554 582912424 /nfs/dbraw/zinc/91/24/24/582912424.db2.gz LGTUPCSDBKJIAU-SECBINFHSA-N -1 3 239.275 0.160 20 0 BCADHM O=c1cc(N[C@@H](CCO)C2CC2)nc[n-]1 ZINC000892657799 582941491 /nfs/dbraw/zinc/94/14/91/582941491.db2.gz QFCUFAKCNCMJJF-QMMMGPOBSA-N -1 3 209.249 0.755 20 0 BCADHM OCC(CO)[N-]c1nnc(Cc2ccccc2)o1 ZINC000892680967 582952579 /nfs/dbraw/zinc/95/25/79/582952579.db2.gz BTMPZJOFOCGSRR-UHFFFAOYSA-N -1 3 249.270 0.426 20 0 BCADHM C[C@H]1OCCN(c2cc(=O)[n-]cn2)[C@H]1C ZINC000892942110 583013951 /nfs/dbraw/zinc/01/39/51/583013951.db2.gz RVENQTSBFKJGJU-JGVFFNPUSA-N -1 3 209.249 0.796 20 0 BCADHM Cn1ccnc1[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000892984384 583025827 /nfs/dbraw/zinc/02/58/27/583025827.db2.gz BZVWROMBFOGPIA-VIFPVBQESA-N -1 3 245.286 0.910 20 0 BCADHM CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(=O)[n-]cn1 ZINC000893053994 583038597 /nfs/dbraw/zinc/03/85/97/583038597.db2.gz TVYWDTXPNSQXBT-HTQZYQBOSA-N -1 3 236.275 0.509 20 0 BCADHM O=C(NCCOc1cccnc1)c1c[n-]nn1 ZINC000114423652 588874615 /nfs/dbraw/zinc/87/46/15/588874615.db2.gz HVTKDJQECZTPTD-UHFFFAOYSA-N -1 3 233.231 0.009 20 0 BCADHM O=C(NCCOc1cccnc1)c1cnn[n-]1 ZINC000114423652 588874616 /nfs/dbraw/zinc/87/46/16/588874616.db2.gz HVTKDJQECZTPTD-UHFFFAOYSA-N -1 3 233.231 0.009 20 0 BCADHM O=C(NCCOc1cccnc1)c1cn[n-]n1 ZINC000114423652 588874617 /nfs/dbraw/zinc/87/46/17/588874617.db2.gz HVTKDJQECZTPTD-UHFFFAOYSA-N -1 3 233.231 0.009 20 0 BCADHM NC(=O)NCCCCC(=O)[N-]OCC1CCC1 ZINC000856343741 588868317 /nfs/dbraw/zinc/86/83/17/588868317.db2.gz XZSZPKHFTIGLKU-UHFFFAOYSA-N -1 3 243.307 0.673 20 0 BCADHM O=C([N-]OCC1CCC1)[C@@H]1CCNC(=O)C1 ZINC000856348097 588868909 /nfs/dbraw/zinc/86/89/09/588868909.db2.gz PJKKRQMPTXISEC-SECBINFHSA-N -1 3 226.276 0.361 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OCC1CCC1 ZINC000856347201 588868993 /nfs/dbraw/zinc/86/89/93/588868993.db2.gz HBNLUKBPGWGMQD-DTWKUNHWSA-N -1 3 227.260 0.643 20 0 BCADHM O=C(Cc1c[nH]c2ncccc12)[N-]OCCO ZINC000776585670 583124532 /nfs/dbraw/zinc/12/45/32/583124532.db2.gz VISUNCMVXQZPME-UHFFFAOYSA-N -1 3 235.243 0.146 20 0 BCADHM NC(=O)C1(NCc2ccc([O-])c(F)c2)CC1 ZINC000893552316 583163227 /nfs/dbraw/zinc/16/32/27/583163227.db2.gz BJQYRHUSJGQIIR-UHFFFAOYSA-N -1 3 224.235 0.639 20 0 BCADHM CCn1cccc(CNc2cc(=O)[n-]cn2)c1=O ZINC000893560993 583164240 /nfs/dbraw/zinc/16/42/40/583164240.db2.gz DFENACMRGMPLAC-UHFFFAOYSA-N -1 3 246.270 0.976 20 0 BCADHM CN(C)C[C@@H]1CCCN1C(=O)CCNC(=O)[O-] ZINC000737950146 583166386 /nfs/dbraw/zinc/16/63/86/583166386.db2.gz ANGVKMKRJAHSBG-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CN(C)C[C@H]1CCCN1C(=O)CCNC(=O)[O-] ZINC000737950145 583166631 /nfs/dbraw/zinc/16/66/31/583166631.db2.gz ANGVKMKRJAHSBG-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM Cc1nc(N2CC[C@@](F)(CO)C2)cc(=O)[n-]1 ZINC000893728896 583215595 /nfs/dbraw/zinc/21/55/95/583215595.db2.gz YFNQEODNFGXNRG-JTQLQIEISA-N -1 3 227.239 0.401 20 0 BCADHM CO[C@H]1COCC[C@H]1CNc1cc(=O)[n-]cn1 ZINC000894045183 583286895 /nfs/dbraw/zinc/28/68/95/583286895.db2.gz DDEHQIKUBNMXHA-IUCAKERBSA-N -1 3 239.275 0.646 20 0 BCADHM CCCC[C@](C)(F)C(=O)[N-]N1CN=NC1=O ZINC000857171716 588891175 /nfs/dbraw/zinc/89/11/75/588891175.db2.gz GHTQMSJBDFFTGD-VIFPVBQESA-N -1 3 230.243 0.972 20 0 BCADHM O=c1cc(N2CC[C@@H](CCCO)C2)nc[n-]1 ZINC000894135909 583314215 /nfs/dbraw/zinc/31/42/15/583314215.db2.gz XYWZNBHHSFGGOL-SECBINFHSA-N -1 3 223.276 0.781 20 0 BCADHM Cc1nc(NC[C@@]2(C)CCC(=O)N2)cc(=O)[n-]1 ZINC000894140100 583316419 /nfs/dbraw/zinc/31/64/19/583316419.db2.gz PYXYFHNPPSANIK-LLVKDONJSA-N -1 3 236.275 0.571 20 0 BCADHM CCC[C@@H](O)[C@H](CO)Nc1cc(=O)[n-]c(C)n1 ZINC000894191011 583334911 /nfs/dbraw/zinc/33/49/11/583334911.db2.gz VATNQWYHIBZXIH-DTWKUNHWSA-N -1 3 241.291 0.424 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CC1CCOCC1 ZINC000857284539 588902946 /nfs/dbraw/zinc/90/29/46/588902946.db2.gz COKCPCIUXGQHKL-UHFFFAOYSA-N -1 3 231.292 0.622 20 0 BCADHM C[C@H]1COCC[C@@H]1C(=O)[N-]OC(C)(C)CO ZINC000857284287 588903003 /nfs/dbraw/zinc/90/30/03/588903003.db2.gz FNQOIBJKEIQNLY-IUCAKERBSA-N -1 3 231.292 0.478 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC000857284224 588903021 /nfs/dbraw/zinc/90/30/21/588903021.db2.gz BVNBNLQHPOEJLJ-LDYMZIIASA-N -1 3 229.276 0.232 20 0 BCADHM CON1CCC(Nc2cc(=O)[n-]cn2)CC1 ZINC000894250731 583392133 /nfs/dbraw/zinc/39/21/33/583392133.db2.gz BVDSMWYBCPECBQ-UHFFFAOYSA-N -1 3 224.264 0.620 20 0 BCADHM O=c1cc(N2CCC[C@@H](n3ccnn3)C2)nc[n-]1 ZINC000894272643 583403638 /nfs/dbraw/zinc/40/36/38/583403638.db2.gz ZNLKWOWIHAZOMF-SECBINFHSA-N -1 3 246.274 0.615 20 0 BCADHM CCN1C[C@H](CNc2cc(=O)[n-]cn2)CC1=O ZINC000894391531 583446557 /nfs/dbraw/zinc/44/65/57/583446557.db2.gz PWHJUHSXNVXRAQ-QMMMGPOBSA-N -1 3 236.275 0.463 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CC[C@H]1CCOC1 ZINC000857285509 588903381 /nfs/dbraw/zinc/90/33/81/588903381.db2.gz DUXPBRVSOUUJGT-QWRGUYRKSA-N -1 3 245.319 0.868 20 0 BCADHM Cn1nnc2c1CC[C@H](Nc1cc(=O)[n-]cn1)C2 ZINC000894431995 583457561 /nfs/dbraw/zinc/45/75/61/583457561.db2.gz MHKDRNIQTPMIGZ-ZETCQYMHSA-N -1 3 246.274 0.280 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1CCO[C@H](C)C1 ZINC000857286311 588903948 /nfs/dbraw/zinc/90/39/48/588903948.db2.gz XPWRWCLSRQFYCG-VWYCJHECSA-N -1 3 245.319 0.866 20 0 BCADHM COCCC(=O)[N-]O[C@H](CO)C(C)C ZINC000857286439 588904235 /nfs/dbraw/zinc/90/42/35/588904235.db2.gz AYDODOBBIDQLED-MRVPVSSYSA-N -1 3 205.254 0.088 20 0 BCADHM O=c1cc(N2CC[C@@H](O)C(F)(F)C2)nc[n-]1 ZINC000894523223 583477496 /nfs/dbraw/zinc/47/74/96/583477496.db2.gz CNNHOQCVYAVAQB-ZCFIWIBFSA-N -1 3 231.202 0.389 20 0 BCADHM O=c1cc(N2CCC[C@](O)(C3CC3)C2)nc[n-]1 ZINC000894545148 583481776 /nfs/dbraw/zinc/48/17/76/583481776.db2.gz SPAQFGBNEBPCLS-GFCCVEGCSA-N -1 3 235.287 0.924 20 0 BCADHM CCON(CC)C(=O)CNc1cc(=O)[n-]cn1 ZINC000894714520 583511279 /nfs/dbraw/zinc/51/12/79/583511279.db2.gz CZFLQDMDYXFOEB-UHFFFAOYSA-N -1 3 240.263 0.394 20 0 BCADHM Cc1nc(NC[C@H](O)[C@H]2CCCO2)cc(=O)[n-]1 ZINC000894722821 583514860 /nfs/dbraw/zinc/51/48/60/583514860.db2.gz CQUHFKOLYMAPPA-DTWKUNHWSA-N -1 3 239.275 0.442 20 0 BCADHM CCCN(CCC)C(=O)Cn1c([O-])coc1=O ZINC000882273510 583603082 /nfs/dbraw/zinc/60/30/82/583603082.db2.gz OXEYUBVNDAMTEO-UHFFFAOYSA-N -1 3 242.275 0.614 20 0 BCADHM CO[C@H]1COCC[C@H]1N(C)c1cc(=O)[n-]cn1 ZINC000895157111 583608083 /nfs/dbraw/zinc/60/80/83/583608083.db2.gz OGKFORDBZFDIRK-BDAKNGLRSA-N -1 3 239.275 0.422 20 0 BCADHM O=c1cc(N2CCc3ncncc3C2)nc[n-]1 ZINC000895174910 583615051 /nfs/dbraw/zinc/61/50/51/583615051.db2.gz IDKHFEJCZPZABZ-UHFFFAOYSA-N -1 3 229.243 0.535 20 0 BCADHM CC[C@H](OC)C(=O)N[N-]C(=O)c1ccoc1 ZINC000142702928 583617069 /nfs/dbraw/zinc/61/70/69/583617069.db2.gz XJLQIRNJRJSCRZ-QMMMGPOBSA-N -1 3 226.232 0.466 20 0 BCADHM O=c1cc(N[C@@H](CO)C[C@@H]2CCCO2)nc[n-]1 ZINC000895203296 583624226 /nfs/dbraw/zinc/62/42/26/583624226.db2.gz WLHOTGYCXVLXOZ-BDAKNGLRSA-N -1 3 239.275 0.524 20 0 BCADHM CSc1nnc(NC(=O)C2=COCCO2)[n-]1 ZINC000727487021 583659916 /nfs/dbraw/zinc/65/99/16/583659916.db2.gz YEDCHNOQXJPCHS-UHFFFAOYSA-N -1 3 242.260 0.353 20 0 BCADHM CSc1n[n-]c(NC(=O)C2=COCCO2)n1 ZINC000727487021 583659919 /nfs/dbraw/zinc/65/99/19/583659919.db2.gz YEDCHNOQXJPCHS-UHFFFAOYSA-N -1 3 242.260 0.353 20 0 BCADHM CSc1nc(NC(=O)C2=COCCO2)n[n-]1 ZINC000727487021 583659922 /nfs/dbraw/zinc/65/99/22/583659922.db2.gz YEDCHNOQXJPCHS-UHFFFAOYSA-N -1 3 242.260 0.353 20 0 BCADHM CCO[N-]C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000895526055 583684444 /nfs/dbraw/zinc/68/44/44/583684444.db2.gz GLSXYJIXHCGSEL-SNVBAGLBSA-N -1 3 234.255 0.929 20 0 BCADHM CO[N-]C(=O)CCc1ccc(OC)nc1 ZINC000895623753 583697672 /nfs/dbraw/zinc/69/76/72/583697672.db2.gz VBYGYEQTTFJQGX-UHFFFAOYSA-N -1 3 210.233 0.700 20 0 BCADHM O=C(N[C@@H]1CCn2cncc21)c1cc(=O)[n-]cn1 ZINC000857974293 588926282 /nfs/dbraw/zinc/92/62/82/588926282.db2.gz FWIGWNBKFBYBRI-SSDOTTSWSA-N -1 3 245.242 0.254 20 0 BCADHM O=c1cc(NCCO[C@H]2CCOC2)nc[n-]1 ZINC000896474818 583805339 /nfs/dbraw/zinc/80/53/39/583805339.db2.gz XQFYQVYNPANTCY-QMMMGPOBSA-N -1 3 225.248 0.400 20 0 BCADHM Cc1ccnn1CC(=O)[N-]C1=NCCS1 ZINC000858170379 588936612 /nfs/dbraw/zinc/93/66/12/588936612.db2.gz JTHSLGPAVMOHCZ-UHFFFAOYSA-N -1 3 224.289 0.411 20 0 BCADHM CO[N-]C(=O)CNCc1cnc(F)cc1C ZINC000896925395 583858197 /nfs/dbraw/zinc/85/81/97/583858197.db2.gz XAOCKEFIHYBNBR-UHFFFAOYSA-N -1 3 227.239 0.296 20 0 BCADHM CO[N-]C(=O)CNCc1cn(C)nc1C1CC1 ZINC000896923730 583858450 /nfs/dbraw/zinc/85/84/50/583858450.db2.gz HCXHWAYHBDJJNQ-UHFFFAOYSA-N -1 3 238.291 0.065 20 0 BCADHM CCO[N-]C(=O)CNCc1ccnc(C)c1 ZINC000858184018 588937756 /nfs/dbraw/zinc/93/77/56/588937756.db2.gz LPQMMPFZMFNURJ-UHFFFAOYSA-N -1 3 223.276 0.547 20 0 BCADHM O=c1cc(NCc2cnn(CCF)c2)nc[n-]1 ZINC000896993615 583867362 /nfs/dbraw/zinc/86/73/62/583867362.db2.gz VRKKEMJLSNQYFQ-UHFFFAOYSA-N -1 3 237.238 0.960 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]Cc1ccon1 ZINC000866909796 583879941 /nfs/dbraw/zinc/87/99/41/583879941.db2.gz LHDCRIOXHNGNPE-UHFFFAOYSA-N -1 3 243.244 0.450 20 0 BCADHM CO[C@@H]1CC[C@H]1N(C)c1cc(=O)[n-]cn1 ZINC000897142915 583884119 /nfs/dbraw/zinc/88/41/19/583884119.db2.gz VLAKBFQIMHGSLC-HTQZYQBOSA-N -1 3 209.249 0.796 20 0 BCADHM CO[C@@H]1CC[C@@H]1N(C)c1nc2nncc-2c(O)[n-]1 ZINC000897148843 583884394 /nfs/dbraw/zinc/88/43/94/583884394.db2.gz JXDOAHCFDRISHW-JGVFFNPUSA-N -1 3 249.274 0.672 20 0 BCADHM O=c1cc(NC2CC(CCO)C2)nc[n-]1 ZINC000897236664 583900222 /nfs/dbraw/zinc/90/02/22/583900222.db2.gz QHCHAEKNKOQHOU-UHFFFAOYSA-N -1 3 209.249 0.755 20 0 BCADHM CCc1n[n-]c(Cl)c1C(=O)NOC ZINC000858300573 588943419 /nfs/dbraw/zinc/94/34/19/588943419.db2.gz PLUOUHZLDCPUAA-UHFFFAOYSA-N -1 3 203.629 0.917 20 0 BCADHM CCc1[n-]nc(Cl)c1C(=O)NOC ZINC000858300573 588943421 /nfs/dbraw/zinc/94/34/21/588943421.db2.gz PLUOUHZLDCPUAA-UHFFFAOYSA-N -1 3 203.629 0.917 20 0 BCADHM O=c1cc(N2CC[C@@H](O)[C@@H](F)C2)nc[n-]1 ZINC000897378110 583946532 /nfs/dbraw/zinc/94/65/32/583946532.db2.gz BIDRSKVAQXDTMG-NKWVEPMBSA-N -1 3 213.212 0.091 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]CCC1CCC1 ZINC000866946447 583961532 /nfs/dbraw/zinc/96/15/32/583961532.db2.gz RPCCLVIAWVAFNA-UHFFFAOYSA-N -1 3 244.320 0.284 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3COC[C@H]3C3CC3)c1-2 ZINC000897445756 583985059 /nfs/dbraw/zinc/98/50/59/583985059.db2.gz NEXQCPQPBPBMOA-VHSXEESVSA-N -1 3 245.286 0.563 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897588227 584023395 /nfs/dbraw/zinc/02/33/95/584023395.db2.gz VLRRRPWRIBGNHT-VIFPVBQESA-N -1 3 244.335 0.678 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C1(C2CC2)CC1 ZINC000897794966 584049275 /nfs/dbraw/zinc/04/92/75/584049275.db2.gz AIZZQBCTYGEXHS-UHFFFAOYSA-N -1 3 232.247 0.581 20 0 BCADHM O=C1[N-]C(=O)C2(CN(Cc3cccc(F)c3)C2)N1 ZINC000897908454 584060048 /nfs/dbraw/zinc/06/00/48/584060048.db2.gz UZKLIZHULUOFDB-UHFFFAOYSA-N -1 3 249.245 0.220 20 0 BCADHM CCC[C@H](C)CN1CC2(C1)NC(=O)[N-]C2=O ZINC000897906007 584060139 /nfs/dbraw/zinc/06/01/39/584060139.db2.gz QEZTUGXBBIQLPI-QMMMGPOBSA-N -1 3 225.292 0.316 20 0 BCADHM CN(CCNC(=O)OC(C)(C)C)CC(=O)[O-] ZINC000116085657 588953549 /nfs/dbraw/zinc/95/35/49/588953549.db2.gz VGGBICGIQJVBLX-UHFFFAOYSA-N -1 3 232.280 0.528 20 0 BCADHM O=C(C1CC1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898208018 584092103 /nfs/dbraw/zinc/09/21/03/584092103.db2.gz WLWWJKCPQBNEOM-QMMMGPOBSA-N -1 3 221.260 0.841 20 0 BCADHM O=C(c1c[nH]cn1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898212667 584092658 /nfs/dbraw/zinc/09/26/58/584092658.db2.gz OGKULQAUSMFXOT-SSDOTTSWSA-N -1 3 247.258 0.468 20 0 BCADHM O=C(c1cnc[nH]1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898212667 584092661 /nfs/dbraw/zinc/09/26/61/584092661.db2.gz OGKULQAUSMFXOT-SSDOTTSWSA-N -1 3 247.258 0.468 20 0 BCADHM O=C(c1ncc[nH]1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221326 584093438 /nfs/dbraw/zinc/09/34/38/584093438.db2.gz JZIHOUVYIKAIMT-ZETCQYMHSA-N -1 3 247.258 0.468 20 0 BCADHM O=C(N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)C1(F)CC1 ZINC000898225023 584102551 /nfs/dbraw/zinc/10/25/51/584102551.db2.gz FCAWHMVCQWZFKJ-SSDOTTSWSA-N -1 3 239.250 0.933 20 0 BCADHM CCc1nn(C)c(Cl)c1C(=O)[N-]OCCO ZINC000787284691 584117752 /nfs/dbraw/zinc/11/77/52/584117752.db2.gz KOFVDAGWNIKTOI-UHFFFAOYSA-N -1 3 247.682 0.290 20 0 BCADHM C[C@@H]1C(=O)CC[C@H](C(=O)[N-]OCCO)C1(C)C ZINC000787294432 584118150 /nfs/dbraw/zinc/11/81/50/584118150.db2.gz OPWPUUHDUCCBIL-RKDXNWHRSA-N -1 3 243.303 0.668 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)nn1 ZINC000866496561 584119902 /nfs/dbraw/zinc/11/99/02/584119902.db2.gz REBPQLXTIZESSF-IONNQARKSA-N -1 3 241.316 0.719 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)nn1 ZINC000866496559 584119964 /nfs/dbraw/zinc/11/99/64/584119964.db2.gz REBPQLXTIZESSF-APPZFPTMSA-N -1 3 241.316 0.719 20 0 BCADHM C/C(=C\C(=O)NCCCc1c[n-][nH]c1=O)C1CC1 ZINC000898731233 584155607 /nfs/dbraw/zinc/15/56/07/584155607.db2.gz DUICLKAWSWJCIY-MXMFLMJRSA-N -1 3 249.314 0.971 20 0 BCADHM C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)C1CC1 ZINC000898731735 584155842 /nfs/dbraw/zinc/15/58/42/584155842.db2.gz GIXMNLSROWHEQL-WPRPVWTQSA-N -1 3 237.303 0.661 20 0 BCADHM CC[C@H](C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898730943 584155890 /nfs/dbraw/zinc/15/58/90/584155890.db2.gz MHHDEDKYLXZVBN-IUCAKERBSA-N -1 3 225.292 0.661 20 0 BCADHM C[C@H](C(=O)NCCCc1c[n-][nH]c1=O)C1CC1 ZINC000898731734 584156029 /nfs/dbraw/zinc/15/60/29/584156029.db2.gz GIXMNLSROWHEQL-WCBMZHEXSA-N -1 3 237.303 0.661 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898728669 584156169 /nfs/dbraw/zinc/15/61/69/584156169.db2.gz NBWGNZZKJRXEFG-IWSPIJDZSA-N -1 3 223.276 0.271 20 0 BCADHM CC1(C)C[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898737100 584156521 /nfs/dbraw/zinc/15/65/21/584156521.db2.gz NGVGEZXKOOKUTJ-RKDXNWHRSA-N -1 3 237.303 0.661 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1C[C@@H]1C1CC1 ZINC000898738449 584157084 /nfs/dbraw/zinc/15/70/84/584157084.db2.gz ASAKLZATEVMXPL-MXWKQRLJSA-N -1 3 249.314 0.661 20 0 BCADHM C/C=C(/CC)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739031 584157198 /nfs/dbraw/zinc/15/71/98/584157198.db2.gz GKFJHZCVIKSPOC-BNFOFFDWSA-N -1 3 237.303 0.971 20 0 BCADHM Cn1ccc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC000898737904 584157528 /nfs/dbraw/zinc/15/75/28/584157528.db2.gz XCXZMBIZLSDERW-VIFPVBQESA-N -1 3 248.286 0.267 20 0 BCADHM Cc1cccc(C(=O)NC2=NCC(=O)N2C)c1[O-] ZINC000898780510 584159625 /nfs/dbraw/zinc/15/96/25/584159625.db2.gz RREWJLXTXOJFDR-UHFFFAOYSA-N -1 3 247.254 0.258 20 0 BCADHM O=C(/C=C/C=C(Cl)Cl)[N-]OCCO ZINC000898939781 584167469 /nfs/dbraw/zinc/16/74/69/584167469.db2.gz WRIIVGNQASAZIM-HNQUOIGGSA-N -1 3 226.059 0.902 20 0 BCADHM C[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000899199643 584180518 /nfs/dbraw/zinc/18/05/18/584180518.db2.gz GNOSVHVHMOMXGX-SSDOTTSWSA-N -1 3 244.258 0.496 20 0 BCADHM C[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000899199643 584180520 /nfs/dbraw/zinc/18/05/20/584180520.db2.gz GNOSVHVHMOMXGX-SSDOTTSWSA-N -1 3 244.258 0.496 20 0 BCADHM CC[C@@H](C)CON=c1nc(N)nc(N)[n-]1 ZINC000858551519 588964542 /nfs/dbraw/zinc/96/45/42/588964542.db2.gz IKAFFPFHZVNUIA-RXMQYKEDSA-N -1 3 212.257 0.426 20 0 BCADHM C[C@H](O)Cn1[n-]cc2c(=O)cccc-2c1=O ZINC000899352186 584200025 /nfs/dbraw/zinc/20/00/25/584200025.db2.gz ASQMPKMPDMJPJQ-ZETCQYMHSA-N -1 3 220.228 0.483 20 0 BCADHM C[C@H](O)Cn1ncc2c([O-])cccc2c1=O ZINC000899352186 584200026 /nfs/dbraw/zinc/20/00/26/584200026.db2.gz ASQMPKMPDMJPJQ-ZETCQYMHSA-N -1 3 220.228 0.483 20 0 BCADHM CC(=CCl)CS(=O)(=O)Cc1cnn[n-]1 ZINC000899496529 584218082 /nfs/dbraw/zinc/21/80/82/584218082.db2.gz KJODJFCVOXUHRN-QHHAFSJGSA-N -1 3 235.696 0.862 20 0 BCADHM CC(=CCl)CS(=O)(=O)Cc1c[n-]nn1 ZINC000899496529 584218083 /nfs/dbraw/zinc/21/80/83/584218083.db2.gz KJODJFCVOXUHRN-QHHAFSJGSA-N -1 3 235.696 0.862 20 0 BCADHM CC(=CCl)CS(=O)(=O)Cc1cn[n-]n1 ZINC000899496529 584218084 /nfs/dbraw/zinc/21/80/84/584218084.db2.gz KJODJFCVOXUHRN-QHHAFSJGSA-N -1 3 235.696 0.862 20 0 BCADHM C/C=C\[C@H](O)C(=O)[N-]C1=NCCS1 ZINC000900006162 584264115 /nfs/dbraw/zinc/26/41/15/584264115.db2.gz QKNVTVFUOHDYKZ-GFNSNHMOSA-N -1 3 200.263 0.142 20 0 BCADHM CCc1cc(=O)[n-]c(Cn2cc(COC)nn2)n1 ZINC000900568548 584326056 /nfs/dbraw/zinc/32/60/56/584326056.db2.gz MLAFBMVHBHIROD-UHFFFAOYSA-N -1 3 249.274 0.531 20 0 BCADHM COCc1cn([C@@H](C)c2nc(C)cc(=O)[n-]2)nn1 ZINC000900567585 584326146 /nfs/dbraw/zinc/32/61/46/584326146.db2.gz DDUXJKASNJJXDC-QMMMGPOBSA-N -1 3 249.274 0.838 20 0 BCADHM Cc1ccccc1C(=O)[N-]S(=O)(=O)CCN ZINC000901093392 584384159 /nfs/dbraw/zinc/38/41/59/584384159.db2.gz FCQQDOJDJAOVSP-UHFFFAOYSA-N -1 3 242.300 0.013 20 0 BCADHM NCCS(=O)(=O)[N-]C(=O)C1CCC=CCC1 ZINC000901096674 584384685 /nfs/dbraw/zinc/38/46/85/584384685.db2.gz UEZDDOGUCUBGCF-UHFFFAOYSA-N -1 3 246.332 0.138 20 0 BCADHM Cc1nn(C)cc1CC(=O)[N-]C1=NCCS1 ZINC000901155208 584392394 /nfs/dbraw/zinc/39/23/94/584392394.db2.gz UILTUHCATKRFCV-UHFFFAOYSA-N -1 3 238.316 0.490 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@H]1COC(=O)N1 ZINC000901294680 584423235 /nfs/dbraw/zinc/42/32/35/584423235.db2.gz QWFCDTJAEAWNMN-SSDOTTSWSA-N -1 3 236.227 0.748 20 0 BCADHM COC[C@@H](C)[N-]c1nnc(C(=O)NC(C)C)o1 ZINC000901409610 584440458 /nfs/dbraw/zinc/44/04/58/584440458.db2.gz VXVPKXOVIDHTDS-SSDOTTSWSA-N -1 3 242.279 0.655 20 0 BCADHM C[C@H](NC(=O)CN(C)CC(C)(C)C)C(=O)[O-] ZINC000901430472 584444222 /nfs/dbraw/zinc/44/42/22/584444222.db2.gz LNCKLELXAWKTQL-QMMMGPOBSA-N -1 3 230.308 0.554 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1Cn1c([O-])coc1=O ZINC000901587781 584465314 /nfs/dbraw/zinc/46/53/14/584465314.db2.gz PJMNWCUYZFFEMU-NKWVEPMBSA-N -1 3 227.216 0.164 20 0 BCADHM COC1CC(C(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000858986483 588987442 /nfs/dbraw/zinc/98/74/42/588987442.db2.gz IHDWNCMWPYATJB-UDNWOFFPSA-N -1 3 229.276 0.986 20 0 BCADHM CC[C@@H](C(=O)NC[C@@H](C(=O)[O-])C(C)C)N(C)C ZINC000902023773 584512461 /nfs/dbraw/zinc/51/24/61/584512461.db2.gz LHMGBOHIJBRPIN-ZJUUUORDSA-N -1 3 244.335 0.800 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](CC)N(C)C ZINC000902019771 584514597 /nfs/dbraw/zinc/51/45/97/584514597.db2.gz STJBAOULJZWGMW-DTWKUNHWSA-N -1 3 230.308 0.648 20 0 BCADHM CC[C@@H](C(=O)N(CC)[C@@H](C)C(=O)[O-])N(C)C ZINC000902044728 584516250 /nfs/dbraw/zinc/51/62/50/584516250.db2.gz ASPWIFDGZOYXPG-IUCAKERBSA-N -1 3 230.308 0.648 20 0 BCADHM Cn1c(=O)[n-]nc1SCc1cnns1 ZINC000902201529 584537342 /nfs/dbraw/zinc/53/73/42/584537342.db2.gz JRWKQWFFRUDXCG-UHFFFAOYSA-N -1 3 229.290 0.665 20 0 BCADHM CC(=O)[N-]OCc1nc(COC(C)C)no1 ZINC000902703400 584659028 /nfs/dbraw/zinc/65/90/28/584659028.db2.gz JDOUBLXPXKRCMC-UHFFFAOYSA-N -1 3 229.236 0.562 20 0 BCADHM O=C(CCO)[N-]OCCC(F)(F)F ZINC000902924156 584697103 /nfs/dbraw/zinc/69/71/03/584697103.db2.gz CGGIEHXJRGUXCS-UHFFFAOYSA-N -1 3 201.144 0.369 20 0 BCADHM CCN1CCC[C@@H]([N-]C(=O)C(C)(F)F)C1=O ZINC000902962328 584706870 /nfs/dbraw/zinc/70/68/70/584706870.db2.gz FUZHALJXAVRNQB-SSDOTTSWSA-N -1 3 234.246 0.769 20 0 BCADHM O=C([O-])[C@@H]1COCCN1C[C@H]1C[C@@]12CCOC2 ZINC000903405812 584758272 /nfs/dbraw/zinc/75/82/72/584758272.db2.gz XDMXUEYUIDERMA-JFGNBEQYSA-N -1 3 241.287 0.198 20 0 BCADHM O=S(=O)(CC1(F)CC1)[N-]c1ccncc1F ZINC000903614555 584786404 /nfs/dbraw/zinc/78/64/04/584786404.db2.gz FWDGQQZMUQQCFL-UHFFFAOYSA-N -1 3 248.254 0.886 20 0 BCADHM Cc1n[nH]cc1CN[C@]1(C(=O)[O-])CCOC1 ZINC000904009943 584837373 /nfs/dbraw/zinc/83/73/73/584837373.db2.gz LOBRZUCZEPCJGO-SNVBAGLBSA-N -1 3 225.248 0.051 20 0 BCADHM Cc1c[nH]nc1CN[C@]1(C(=O)[O-])CCSC1 ZINC000904007915 584837511 /nfs/dbraw/zinc/83/75/11/584837511.db2.gz WLPFWGCYKURQKL-SNVBAGLBSA-N -1 3 241.316 0.768 20 0 BCADHM O=C([O-])[C@@]1(NCc2cccnc2)CCOC1 ZINC000904010215 584837672 /nfs/dbraw/zinc/83/76/72/584837672.db2.gz SKWAIJSHYZQWNF-LLVKDONJSA-N -1 3 222.244 0.415 20 0 BCADHM CSC(C)(C)C(=O)[N-]c1nnnn1C ZINC000904190686 584848666 /nfs/dbraw/zinc/84/86/66/584848666.db2.gz CSMHTSJBHRFPGR-UHFFFAOYSA-N -1 3 215.282 0.290 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@H]1CCCC1(F)F ZINC000904189772 584848790 /nfs/dbraw/zinc/84/87/90/584848790.db2.gz ZIHABFMYBGSHEP-ZCFIWIBFSA-N -1 3 245.233 0.974 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@@H]1CC(C)(C)CO1 ZINC000904190435 584848846 /nfs/dbraw/zinc/84/88/46/584848846.db2.gz GXHSPWQSMGGYCA-SSDOTTSWSA-N -1 3 239.279 0.354 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000904189537 584848987 /nfs/dbraw/zinc/84/89/87/584848987.db2.gz QSTOJPBUZXQZMQ-XHNCKOQMSA-N -1 3 235.291 0.975 20 0 BCADHM CSCC1(CC(=O)[N-]c2nnnn2C)CC1 ZINC000904191930 584849120 /nfs/dbraw/zinc/84/91/20/584849120.db2.gz SWLGJSPXQVZRHW-UHFFFAOYSA-N -1 3 241.320 0.682 20 0 BCADHM C[C@H](CC(=O)[N-]c1nnnn1C)[C@@H]1CCCO1 ZINC000904191371 584849140 /nfs/dbraw/zinc/84/91/40/584849140.db2.gz RKLLDGZUKQSYEM-SFYZADRCSA-N -1 3 239.279 0.354 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000904191223 584849150 /nfs/dbraw/zinc/84/91/50/584849150.db2.gz HZRJDISVRSKFLM-RNJXMRFFSA-N -1 3 221.264 0.585 20 0 BCADHM CO[C@H]1CCCC[C@H]1C(=O)[N-]c1nnnn1C ZINC000904191780 584849352 /nfs/dbraw/zinc/84/93/52/584849352.db2.gz PCIRCBTZNXJYAX-SFYZADRCSA-N -1 3 239.279 0.354 20 0 BCADHM CC[C@H](CC(F)F)C(=O)[N-]c1nnnn1C ZINC000904191629 584849372 /nfs/dbraw/zinc/84/93/72/584849372.db2.gz NAJDXLVTQOOWPQ-RXMQYKEDSA-N -1 3 233.222 0.830 20 0 BCADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904191613 584849388 /nfs/dbraw/zinc/84/93/88/584849388.db2.gz UZFQZLANITYKGM-KVPKETBZSA-N -1 3 221.264 0.441 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000904191863 584849494 /nfs/dbraw/zinc/84/94/94/584849494.db2.gz QPSVDWBLWPQAGX-ZJUUUORDSA-N -1 3 243.270 0.952 20 0 BCADHM CC[C@H](C)[C@@H](OC)C(=O)[N-]c1nnnn1C ZINC000904193798 584849752 /nfs/dbraw/zinc/84/97/52/584849752.db2.gz OOTUJTCUIKJUTH-NKWVEPMBSA-N -1 3 227.268 0.210 20 0 BCADHM COC[C@H](C)[C@@H](C)C(=O)[N-]c1nnnn1C ZINC000904193736 584849765 /nfs/dbraw/zinc/84/97/65/584849765.db2.gz MNVRMHOWLICXCN-NKWVEPMBSA-N -1 3 227.268 0.067 20 0 BCADHM CCC(CC)CC(=O)[N-]c1nnnn1C ZINC000904194646 584850089 /nfs/dbraw/zinc/85/00/89/584850089.db2.gz JEWPOEQLPAVAAD-UHFFFAOYSA-N -1 3 211.269 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@H]1C=CCCC1 ZINC000904195705 584850133 /nfs/dbraw/zinc/85/01/33/584850133.db2.gz PFNPGDORHCFMAL-QMMMGPOBSA-N -1 3 221.264 0.895 20 0 BCADHM Cc1sccc1CC(=O)[N-]c1nnnn1C ZINC000904195485 584850275 /nfs/dbraw/zinc/85/02/75/584850275.db2.gz OSSJCNWZHMKFGJ-UHFFFAOYSA-N -1 3 237.288 0.761 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCC(C)(C)C1 ZINC000904195724 584850303 /nfs/dbraw/zinc/85/03/03/584850303.db2.gz PIWGDFPIPIFVII-SSDOTTSWSA-N -1 3 223.280 0.975 20 0 BCADHM CC[C@@H](SC)C(=O)[N-]c1nnnn1C ZINC000904195082 584850356 /nfs/dbraw/zinc/85/03/56/584850356.db2.gz QYCMFXGUXXBATH-RXMQYKEDSA-N -1 3 215.282 0.290 20 0 BCADHM CC[C@H](SC)C(=O)[N-]c1nnnn1C ZINC000904195083 584850367 /nfs/dbraw/zinc/85/03/67/584850367.db2.gz QYCMFXGUXXBATH-YFKPBYRVSA-N -1 3 215.282 0.290 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@H]1CCCCO1 ZINC000904195923 584850607 /nfs/dbraw/zinc/85/06/07/584850607.db2.gz YDKVOXUOMFRVGP-SSDOTTSWSA-N -1 3 225.252 0.108 20 0 BCADHM C[C@H]1C[C@H](C(=O)[N-]c2nnnn2C)CCC1=O ZINC000904196106 584850707 /nfs/dbraw/zinc/85/07/07/584850707.db2.gz SQFHINOSCDBZPF-NKWVEPMBSA-N -1 3 237.263 0.154 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCCC(F)(F)F ZINC000904196316 584850711 /nfs/dbraw/zinc/85/07/11/584850711.db2.gz XDQFGXFNTFVFAX-UHFFFAOYSA-N -1 3 237.185 0.881 20 0 BCADHM C[C@H]1C[C@@H](C(=O)[N-]c2nnnn2C)CCC1=O ZINC000904196105 584850811 /nfs/dbraw/zinc/85/08/11/584850811.db2.gz SQFHINOSCDBZPF-BQBZGAKWSA-N -1 3 237.263 0.154 20 0 BCADHM Cc1cccc(CC(=O)[N-]c2nnnn2C)c1 ZINC000904200345 584850904 /nfs/dbraw/zinc/85/09/04/584850904.db2.gz SEJLLRMEBUWRSD-UHFFFAOYSA-N -1 3 231.259 0.700 20 0 BCADHM C[C@H](CC(=O)[N-]c1nnnn1C)C1CC1 ZINC000904199498 584850951 /nfs/dbraw/zinc/85/09/51/584850951.db2.gz LFNIAIYJNGIWLJ-ZCFIWIBFSA-N -1 3 209.253 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCC(C)(F)F ZINC000904200598 584851108 /nfs/dbraw/zinc/85/11/08/584851108.db2.gz UGTQFXGDYXWGBD-UHFFFAOYSA-N -1 3 219.195 0.584 20 0 BCADHM CC(C)SCC(=O)[N-]c1nnnn1C ZINC000904205745 584852667 /nfs/dbraw/zinc/85/26/67/584852667.db2.gz UYNUMVREHLJDGY-UHFFFAOYSA-N -1 3 215.282 0.290 20 0 BCADHM CCN(CCNC(=O)[C@@H](C)CC(=O)[O-])C1CC1 ZINC000829709523 584907878 /nfs/dbraw/zinc/90/78/78/584907878.db2.gz MKCKYYOKXBBYPU-VIFPVBQESA-N -1 3 242.319 0.698 20 0 BCADHM Cc1cccc([O-])c1NC(=O)C[C@H]1CC(=O)N1 ZINC000831582548 584910131 /nfs/dbraw/zinc/91/01/31/584910131.db2.gz YQNQICROFXMBSR-MRVPVSSYSA-N -1 3 234.255 0.918 20 0 BCADHM C[C@H]1COCC[C@@H]1C(=O)[N-]OCC(C)(C)O ZINC000834621985 584914040 /nfs/dbraw/zinc/91/40/40/584914040.db2.gz NXPPMVQQELBSOP-IUCAKERBSA-N -1 3 231.292 0.478 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1CC(=O)[N-]OCC(C)(C)O ZINC000834625290 584914090 /nfs/dbraw/zinc/91/40/90/584914090.db2.gz ZYIWVNJJRUZOKX-NXEZZACHSA-N -1 3 244.335 0.678 20 0 BCADHM CCCNC(=O)CCC(=O)[N-]C1=NCCS1 ZINC000731868197 584930703 /nfs/dbraw/zinc/93/07/03/584930703.db2.gz QOPLKGROQSTDDA-UHFFFAOYSA-N -1 3 243.332 0.512 20 0 BCADHM CC(=O)[C@@H](C)OC(=O)c1cncc([O-])c1 ZINC000732392131 584936515 /nfs/dbraw/zinc/93/65/15/584936515.db2.gz BEKCCPCVQXLKLS-SSDOTTSWSA-N -1 3 209.201 0.922 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@H]1CCCCN1C ZINC000836892923 584937390 /nfs/dbraw/zinc/93/73/90/584937390.db2.gz UOWONGUSGWOBBZ-GHMZBOCLSA-N -1 3 244.335 0.535 20 0 BCADHM CCOC[C@@H](O)CN1CCC[C@@H](NC(=O)[O-])C1 ZINC000737876126 584937553 /nfs/dbraw/zinc/93/75/53/584937553.db2.gz FDDAPMMRRFFRKK-ZJUUUORDSA-N -1 3 246.307 0.116 20 0 BCADHM CC[C@H](C)NC(=O)CO[N-]C(=O)C(C)(C)C ZINC000732805520 584941394 /nfs/dbraw/zinc/94/13/94/584941394.db2.gz FJKKDVGBRUAILA-QMMMGPOBSA-N -1 3 230.308 0.995 20 0 BCADHM CC(C)(O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000735679860 584981176 /nfs/dbraw/zinc/98/11/76/584981176.db2.gz PSPDNERDEGJDDZ-UHFFFAOYSA-N -1 3 234.263 0.445 20 0 BCADHM CC(C)(O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000735679860 584981177 /nfs/dbraw/zinc/98/11/77/584981177.db2.gz PSPDNERDEGJDDZ-UHFFFAOYSA-N -1 3 234.263 0.445 20 0 BCADHM CC(C)[C@H](CN(C)C)NC(=O)CCNC(=O)[O-] ZINC000736354350 584998620 /nfs/dbraw/zinc/99/86/20/584998620.db2.gz XDUFTQUXDUYTBZ-VIFPVBQESA-N -1 3 245.323 0.347 20 0 BCADHM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@H](C)N(C)C ZINC000736366423 584999407 /nfs/dbraw/zinc/99/94/07/584999407.db2.gz CBVXXOZRJWQICS-DTWKUNHWSA-N -1 3 245.323 0.345 20 0 BCADHM CC(C)N(C)CC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000736455506 585002716 /nfs/dbraw/zinc/00/27/16/585002716.db2.gz STMWULUPOAAIJP-LBPRGKRZSA-N -1 3 242.319 0.696 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)/C=C/[C@@H]1CCCO1 ZINC000819557771 585003628 /nfs/dbraw/zinc/00/36/28/585003628.db2.gz CXUIQAQLAYAHKM-PZIAFJOJSA-N -1 3 243.303 0.786 20 0 BCADHM CC(C)N1CCCN(C(=O)CNC(=O)[O-])CC1 ZINC000736474274 585003954 /nfs/dbraw/zinc/00/39/54/585003954.db2.gz LBXSHOLYJHCGSD-UHFFFAOYSA-N -1 3 243.307 0.197 20 0 BCADHM CC(C)[C@@H](C(=O)NC[C@H](C)C(=O)[O-])N(C)C ZINC000736593022 585006649 /nfs/dbraw/zinc/00/66/49/585006649.db2.gz MCJSTUHZMCQYHD-IUCAKERBSA-N -1 3 230.308 0.410 20 0 BCADHM CO[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC000820845346 585014765 /nfs/dbraw/zinc/01/47/65/585014765.db2.gz WIXRHPOADBKYGY-YIZRAAEISA-N -1 3 226.276 0.359 20 0 BCADHM C[C@@H]1CSCCN1CCC(=O)NCC(=O)[O-] ZINC000736826487 585016800 /nfs/dbraw/zinc/01/68/00/585016800.db2.gz SYMNVVBQMJITIP-MRVPVSSYSA-N -1 3 246.332 0.015 20 0 BCADHM CN(c1ncccc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC000736844591 585017427 /nfs/dbraw/zinc/01/74/27/585017427.db2.gz WEBDJLXEVNFACY-QMMMGPOBSA-N -1 3 246.274 0.487 20 0 BCADHM CN(c1ncccc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000736844591 585017428 /nfs/dbraw/zinc/01/74/28/585017428.db2.gz WEBDJLXEVNFACY-QMMMGPOBSA-N -1 3 246.274 0.487 20 0 BCADHM CC[C@@H](C(=O)[O-])N1CCO[C@@H](CN(C)C)C1 ZINC000736860164 585018297 /nfs/dbraw/zinc/01/82/97/585018297.db2.gz UDMZMCPQDKXKMG-UWVGGRQHSA-N -1 3 230.308 0.112 20 0 BCADHM CC[C@@H](C)[C@H](NC(=O)CN(CC)CC)C(=O)[O-] ZINC000736876991 585018713 /nfs/dbraw/zinc/01/87/13/585018713.db2.gz JGWJXPSSBOMEIF-KOLCDFICSA-N -1 3 244.335 0.944 20 0 BCADHM CC[C@@H](CN1CCCC1)NC(=O)CNC(=O)[O-] ZINC000736905908 585019039 /nfs/dbraw/zinc/01/90/39/585019039.db2.gz VDJIBYKMRCGPSP-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM CC[C@@H]1CN(CCC(=O)[O-])CCN1C[C@H](C)O ZINC000736945381 585019811 /nfs/dbraw/zinc/01/98/11/585019811.db2.gz WPFCSSYTWBKSCE-WDEREUQCSA-N -1 3 244.335 0.238 20 0 BCADHM COCCON=C([O-])Nc1nc(C(C)C)no1 ZINC000888387747 585020590 /nfs/dbraw/zinc/02/05/90/585020590.db2.gz FKSBDZAYCBRINN-UHFFFAOYSA-N -1 3 244.251 0.893 20 0 BCADHM COCCO[N-]C(=O)Nc1nc(C(C)C)no1 ZINC000888387747 585020591 /nfs/dbraw/zinc/02/05/91/585020591.db2.gz FKSBDZAYCBRINN-UHFFFAOYSA-N -1 3 244.251 0.893 20 0 BCADHM CCCN(C)CC(=O)NCCSCC(=O)[O-] ZINC000737007455 585022284 /nfs/dbraw/zinc/02/22/84/585022284.db2.gz IYNHVGZSWRLUTD-UHFFFAOYSA-N -1 3 248.348 0.262 20 0 BCADHM CCN1CCCC[C@H]1C(=O)NCCCC(=O)[O-] ZINC000737117211 585025926 /nfs/dbraw/zinc/02/59/26/585025926.db2.gz YXLQSRFMYURHGJ-JTQLQIEISA-N -1 3 242.319 0.842 20 0 BCADHM CCN1CCCC[C@@H]1C(=O)NCCC(=O)[O-] ZINC000737115760 585026079 /nfs/dbraw/zinc/02/60/79/585026079.db2.gz QVZWTYHLKAGEGW-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM Cc1cc(-c2nnn[n-]2)ccc1OCCO ZINC000737221794 585027481 /nfs/dbraw/zinc/02/74/81/585027481.db2.gz OYEWWCPFMCIZEQ-UHFFFAOYSA-N -1 3 220.232 0.546 20 0 BCADHM Cc1cc(-c2nn[n-]n2)ccc1OCCO ZINC000737221794 585027482 /nfs/dbraw/zinc/02/74/82/585027482.db2.gz OYEWWCPFMCIZEQ-UHFFFAOYSA-N -1 3 220.232 0.546 20 0 BCADHM CN(CCN1CCCC1)C(=O)CCNC(=O)[O-] ZINC000737441987 585032304 /nfs/dbraw/zinc/03/23/04/585032304.db2.gz SPMYGFXAMSLVRM-UHFFFAOYSA-N -1 3 243.307 0.198 20 0 BCADHM CN1CCC[C@@H](N2CCN(C(=O)[O-])CC2)C1 ZINC000737519691 585034879 /nfs/dbraw/zinc/03/48/79/585034879.db2.gz ILUXRSAEAUVHDE-SNVBAGLBSA-N -1 3 227.308 0.376 20 0 BCADHM CN(C(=O)[O-])C1CCN(CCCO)CC1 ZINC000737937624 585039544 /nfs/dbraw/zinc/03/95/44/585039544.db2.gz LBHMQPPACBSTBM-UHFFFAOYSA-N -1 3 216.281 0.443 20 0 BCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCC1 ZINC000738261848 585042211 /nfs/dbraw/zinc/04/22/11/585042211.db2.gz VFBIKBIIEAJCQQ-UHFFFAOYSA-N -1 3 230.231 0.108 20 0 BCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCC1 ZINC000738261848 585042212 /nfs/dbraw/zinc/04/22/12/585042212.db2.gz VFBIKBIIEAJCQQ-UHFFFAOYSA-N -1 3 230.231 0.108 20 0 BCADHM COC(=O)COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838140993 585046970 /nfs/dbraw/zinc/04/69/70/585046970.db2.gz KNASCDXLKYZGKW-UHFFFAOYSA-N -1 3 242.202 0.790 20 0 BCADHM C[C@@H](C(=O)NC1CC1)N1CC[C@@H](C(=O)[O-])C1 ZINC000218291139 585089620 /nfs/dbraw/zinc/08/96/20/585089620.db2.gz NUISUFYUCASEDO-JGVFFNPUSA-N -1 3 226.276 0.060 20 0 BCADHM C[C@@H](CC(=O)Nc1[n-]nnc1C(N)=O)C1CC1 ZINC000839356243 585101877 /nfs/dbraw/zinc/10/18/77/585101877.db2.gz NFMAOMOBFQOINJ-YFKPBYRVSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@@H](CC(=O)Nc1nn[n-]c1C(N)=O)C1CC1 ZINC000839356243 585101878 /nfs/dbraw/zinc/10/18/78/585101878.db2.gz NFMAOMOBFQOINJ-YFKPBYRVSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@@H](CC(=O)Nc1n[n-]nc1C(N)=O)C1CC1 ZINC000839356243 585101879 /nfs/dbraw/zinc/10/18/79/585101879.db2.gz NFMAOMOBFQOINJ-YFKPBYRVSA-N -1 3 237.263 0.278 20 0 BCADHM COc1ccc([N-]C(=O)c2cccc[n+]2[O-])nc1 ZINC000742133655 585122287 /nfs/dbraw/zinc/12/22/87/585122287.db2.gz IZZHIFINIPBKSI-UHFFFAOYSA-N -1 3 245.238 0.976 20 0 BCADHM CSCCCC(=O)[N-]OCC(C)(C)O ZINC000788222284 585141922 /nfs/dbraw/zinc/14/19/22/585141922.db2.gz HVHLPVDIRKPJBY-UHFFFAOYSA-N -1 3 221.322 0.948 20 0 BCADHM O=C(Nc1ccnn1CC1CC1)c1nnc[n-]1 ZINC000746239997 585166047 /nfs/dbraw/zinc/16/60/47/585166047.db2.gz MFTHZRUGOXMXJZ-UHFFFAOYSA-N -1 3 232.247 0.664 20 0 BCADHM O=C(Nc1ccnn1CC1CC1)c1nc[n-]n1 ZINC000746239997 585166048 /nfs/dbraw/zinc/16/60/48/585166048.db2.gz MFTHZRUGOXMXJZ-UHFFFAOYSA-N -1 3 232.247 0.664 20 0 BCADHM CC(=O)[N-]OCc1ccc(S(C)(=O)=O)cc1 ZINC000789588593 585167968 /nfs/dbraw/zinc/16/79/68/585167968.db2.gz ADKLYCVRBINCQQ-UHFFFAOYSA-N -1 3 243.284 0.658 20 0 BCADHM O=C(CCn1ccnn1)[N-]OCc1cccnc1 ZINC000746528590 585169720 /nfs/dbraw/zinc/16/97/20/585169720.db2.gz WZJYLQCVRVSAGT-UHFFFAOYSA-N -1 3 247.258 0.311 20 0 BCADHM CC(=O)[N-]OCC(=O)NC1CCCCC1 ZINC000747859684 585185191 /nfs/dbraw/zinc/18/51/91/585185191.db2.gz VVESHMKFEIBWSZ-UHFFFAOYSA-N -1 3 214.265 0.503 20 0 BCADHM CN(C(=O)c1ccc2n[n-]nc2c1)c1cn[nH]c1 ZINC000748390460 585192222 /nfs/dbraw/zinc/19/22/22/585192222.db2.gz QTQLWABDGOCRDZ-UHFFFAOYSA-N -1 3 242.242 0.958 20 0 BCADHM COCCO[N-]C(=O)Cc1ccc(C)nc1 ZINC000748766016 585195335 /nfs/dbraw/zinc/19/53/35/585195335.db2.gz CKSSEIYDVNWUCP-UHFFFAOYSA-N -1 3 224.260 0.627 20 0 BCADHM COCCO[N-]C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000748766948 585195416 /nfs/dbraw/zinc/19/54/16/585195416.db2.gz IFOOUVVBETVJCX-QMMMGPOBSA-N -1 3 239.275 0.209 20 0 BCADHM COCCO[N-]C(=O)CCOC[C@@H]1CCCO1 ZINC000748770858 585195464 /nfs/dbraw/zinc/19/54/64/585195464.db2.gz ZUOJIAXOAXJCEJ-JTQLQIEISA-N -1 3 247.291 0.266 20 0 BCADHM COCCO[N-]C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000748773439 585195620 /nfs/dbraw/zinc/19/56/20/585195620.db2.gz CSMFSDKDMVKXFH-UWVGGRQHSA-N -1 3 230.308 0.553 20 0 BCADHM COCCO[N-]C(=O)CC1CCOCC1 ZINC000748777831 585195915 /nfs/dbraw/zinc/19/59/15/585195915.db2.gz WXHVEHYWUCNQPS-UHFFFAOYSA-N -1 3 217.265 0.497 20 0 BCADHM C[C@@H](OC(=O)c1ccc(F)cc1[O-])C(N)=O ZINC000750145867 585211230 /nfs/dbraw/zinc/21/12/30/585211230.db2.gz KIIVJUZOMBWNSC-RXMQYKEDSA-N -1 3 227.191 0.562 20 0 BCADHM O=C(OCCO)c1ccc(F)cc1[O-] ZINC000750145410 585211318 /nfs/dbraw/zinc/21/13/18/585211318.db2.gz JCFKNPQVEARCNF-UHFFFAOYSA-N -1 3 200.165 0.680 20 0 BCADHM CN1CCCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000751058641 585223973 /nfs/dbraw/zinc/22/39/73/585223973.db2.gz HTWDTANQRBEGSU-UHFFFAOYSA-N -1 3 249.314 0.752 20 0 BCADHM COCCO[N-]C(=O)CCOCC1CC1 ZINC000751400327 585229569 /nfs/dbraw/zinc/22/95/69/585229569.db2.gz TZAQTBDSWBREBG-UHFFFAOYSA-N -1 3 217.265 0.497 20 0 BCADHM C[Si](C)(C)COC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000751567227 585232945 /nfs/dbraw/zinc/23/29/45/585232945.db2.gz RPTXOCDFCBWRFZ-LURJTMIESA-N -1 3 244.323 0.005 20 0 BCADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)OCC1CCCC1 ZINC000751569391 585233048 /nfs/dbraw/zinc/23/30/48/585233048.db2.gz UDHYWFJXRGMWJX-QMMMGPOBSA-N -1 3 240.259 0.318 20 0 BCADHM CCOC(=O)[C@@H](CC1CC1)[N-]S(C)(=O)=O ZINC000751983474 585240349 /nfs/dbraw/zinc/24/03/49/585240349.db2.gz XWMHRKMDGCKSRI-MRVPVSSYSA-N -1 3 235.305 0.267 20 0 BCADHM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)CC ZINC000751982917 585240452 /nfs/dbraw/zinc/24/04/52/585240452.db2.gz SLELOUHYAKKDTE-SECBINFHSA-N -1 3 249.332 0.658 20 0 BCADHM CN(C)c1ccnc(NC(=O)c2nc[n-]n2)c1 ZINC000753014282 585252357 /nfs/dbraw/zinc/25/23/57/585252357.db2.gz BHNMUJBZDYMWSH-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CC(=O)[N-]OCc1nc(-c2ccccn2)no1 ZINC000753119450 585253445 /nfs/dbraw/zinc/25/34/45/585253445.db2.gz YIOYHABIILODOM-UHFFFAOYSA-N -1 3 234.215 0.699 20 0 BCADHM COCCCO[N-]C(=O)C[C@H]1CCCO1 ZINC000805039052 585256414 /nfs/dbraw/zinc/25/64/14/585256414.db2.gz KCNWNHYXYGMSGM-SECBINFHSA-N -1 3 217.265 0.640 20 0 BCADHM COCCCO[N-]C(=O)CCCOC ZINC000805037810 585256670 /nfs/dbraw/zinc/25/66/70/585256670.db2.gz KLDKEMWCNHKSCX-UHFFFAOYSA-N -1 3 205.254 0.497 20 0 BCADHM COCCCO[N-]C(=O)CC[C@@H]1CCOC1 ZINC000805038294 585256725 /nfs/dbraw/zinc/25/67/25/585256725.db2.gz ZJAWWVCIWNKNOS-SNVBAGLBSA-N -1 3 231.292 0.887 20 0 BCADHM COCCCO[N-]C(=O)C1(C)CCOCC1 ZINC000805041615 585258146 /nfs/dbraw/zinc/25/81/46/585258146.db2.gz IKMIOYIOMSIDAT-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1CCCN1C1CC1 ZINC000805042686 585259555 /nfs/dbraw/zinc/25/95/55/585259555.db2.gz CIGYNUCMZDSOBU-LLVKDONJSA-N -1 3 242.319 0.698 20 0 BCADHM COCCCO[N-]C(=O)C[C@H]1CCCOC1 ZINC000805045873 585265432 /nfs/dbraw/zinc/26/54/32/585265432.db2.gz XHIQJPAYQHXOIY-SNVBAGLBSA-N -1 3 231.292 0.887 20 0 BCADHM Cc1cc(=O)[n-]c(CSc2nncn2C)n1 ZINC000754458950 585284788 /nfs/dbraw/zinc/28/47/88/585284788.db2.gz UUDKBDBANUKMHY-UHFFFAOYSA-N -1 3 237.288 0.911 20 0 BCADHM COCCO[N-]C(=O)CCc1ccncn1 ZINC000756838640 585324021 /nfs/dbraw/zinc/32/40/21/585324021.db2.gz CBKNYCXWCXOXHP-UHFFFAOYSA-N -1 3 225.248 0.103 20 0 BCADHM CNC(=O)COC(=O)c1ccc([O-])c(OC)c1 ZINC000757094425 585328232 /nfs/dbraw/zinc/32/82/32/585328232.db2.gz AQHGNNBLECFOGT-UHFFFAOYSA-N -1 3 239.227 0.304 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1CC12CCC2 ZINC000839738314 585338436 /nfs/dbraw/zinc/33/84/36/585338436.db2.gz GOFZTZNXYZREFD-QMMMGPOBSA-N -1 3 213.277 0.995 20 0 BCADHM COC(=O)C[C@H](C)CC(=O)[N-]OCC(C)(C)O ZINC000839746082 585340121 /nfs/dbraw/zinc/34/01/21/585340121.db2.gz VZGKWIIASHWIQY-MRVPVSSYSA-N -1 3 247.291 0.394 20 0 BCADHM CC(=O)OCCNC(=O)c1c([O-])cccc1O ZINC000839748213 585340298 /nfs/dbraw/zinc/34/02/98/585340298.db2.gz PWCFANKUWCBUJD-UHFFFAOYSA-N -1 3 239.227 0.391 20 0 BCADHM CCCCCS(=O)(=O)[N-]Cc1nonc1C ZINC000759043287 585363857 /nfs/dbraw/zinc/36/38/57/585363857.db2.gz KLRHJVNZVPYBKS-UHFFFAOYSA-N -1 3 247.320 0.988 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]OCC(F)F ZINC000759340028 585368754 /nfs/dbraw/zinc/36/87/54/585368754.db2.gz VOGUQAYWSIQTQZ-LURJTMIESA-N -1 3 208.208 0.394 20 0 BCADHM CCO[N-]C(=O)Nc1cccnc1-n1cncn1 ZINC000759962958 585383456 /nfs/dbraw/zinc/38/34/56/585383456.db2.gz OJBLZNFVQUVGKA-UHFFFAOYSA-N -1 3 248.246 0.735 20 0 BCADHM CCO[N-]C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000759987885 585383593 /nfs/dbraw/zinc/38/35/93/585383593.db2.gz YOIAUXLUFCHMJL-UHFFFAOYSA-N -1 3 248.246 0.735 20 0 BCADHM C/C=C\COC(=O)C[N-]S(=O)(=O)CCCC ZINC000760693163 585395617 /nfs/dbraw/zinc/39/56/17/585395617.db2.gz NOOSKXVNOYNOOK-HYXAFXHYSA-N -1 3 249.332 0.825 20 0 BCADHM Cc1cc(=O)[n-]c(CSc2c[nH]nn2)n1 ZINC000761863623 585420942 /nfs/dbraw/zinc/42/09/42/585420942.db2.gz DOCWVIQQFCLZHQ-UHFFFAOYSA-N -1 3 223.261 0.901 20 0 BCADHM Cc1cc(=O)[n-]c(CSc2cn[nH]n2)n1 ZINC000761863623 585420943 /nfs/dbraw/zinc/42/09/43/585420943.db2.gz DOCWVIQQFCLZHQ-UHFFFAOYSA-N -1 3 223.261 0.901 20 0 BCADHM CON(C)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000764076535 585459289 /nfs/dbraw/zinc/45/92/89/585459289.db2.gz QQLYAZPGEBBKAX-UHFFFAOYSA-N -1 3 224.195 0.730 20 0 BCADHM CON(C)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000764076535 585459290 /nfs/dbraw/zinc/45/92/90/585459290.db2.gz QQLYAZPGEBBKAX-UHFFFAOYSA-N -1 3 224.195 0.730 20 0 BCADHM CON(C)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000764076535 585459291 /nfs/dbraw/zinc/45/92/91/585459291.db2.gz QQLYAZPGEBBKAX-UHFFFAOYSA-N -1 3 224.195 0.730 20 0 BCADHM CC(C)CO[N-]C(=O)[C@H]1CN2CCN1CCC2 ZINC000765050786 585480138 /nfs/dbraw/zinc/48/01/38/585480138.db2.gz IZYCKWSIKHKXLX-LLVKDONJSA-N -1 3 241.335 0.080 20 0 BCADHM CCCN(C)S(=O)(=O)[N-]Cc1nonc1C ZINC000765193603 585482512 /nfs/dbraw/zinc/48/25/12/585482512.db2.gz KXFPUKHDDACUQO-UHFFFAOYSA-N -1 3 248.308 0.054 20 0 BCADHM NC(=O)C[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765594322 585490725 /nfs/dbraw/zinc/49/07/25/585490725.db2.gz SXCDVXIDRGVWLY-UHFFFAOYSA-N -1 3 246.188 0.519 20 0 BCADHM CC[C@@H](C(=O)[N-]OCCOC)N(C)C ZINC000765783892 585492704 /nfs/dbraw/zinc/49/27/04/585492704.db2.gz OJKIFNQFQIKHCY-QMMMGPOBSA-N -1 3 204.270 0.021 20 0 BCADHM COc1cc([N-]C(=O)c2noc(C)n2)nn1C ZINC000766221381 585499165 /nfs/dbraw/zinc/49/91/65/585499165.db2.gz CXNFDJSEHLRIJH-UHFFFAOYSA-N -1 3 237.219 0.372 20 0 BCADHM C[C@@H](CO)COC(=O)c1ccc([O-])cc1O ZINC000766677609 585505202 /nfs/dbraw/zinc/50/52/02/585505202.db2.gz YIAVPHAUBMTONX-ZETCQYMHSA-N -1 3 226.228 0.883 20 0 BCADHM C[C@@H]1COCC[C@H]1C(=O)[N-]OCC(F)F ZINC000767990830 585529282 /nfs/dbraw/zinc/52/92/82/585529282.db2.gz DFTDUGICFFUMRS-RNFRBKRXSA-N -1 3 223.219 0.972 20 0 BCADHM COc1cc(C(=O)[N-]c2ccnc(CO)c2)on1 ZINC000768716237 585542189 /nfs/dbraw/zinc/54/21/89/585542189.db2.gz PQOLHGCLEZPACO-UHFFFAOYSA-N -1 3 249.226 0.823 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)C=C1CCC1 ZINC000769449884 585557373 /nfs/dbraw/zinc/55/73/73/585557373.db2.gz KHECSEQSQOUMAX-UHFFFAOYSA-N -1 3 240.303 0.572 20 0 BCADHM O=C([N-]OCc1cccnc1)C1=CCOCC1 ZINC000769720422 585562645 /nfs/dbraw/zinc/56/26/45/585562645.db2.gz QMXIJGUIIVRUTF-UHFFFAOYSA-N -1 3 234.255 0.976 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cnn(C)c1C1CC1 ZINC000769871755 585565727 /nfs/dbraw/zinc/56/57/27/585565727.db2.gz PPRKRRGRQXSXCQ-UHFFFAOYSA-N -1 3 244.320 0.516 20 0 BCADHM Cc1nonc1CNC(=O)c1c([O-])cccc1O ZINC000770408392 585573770 /nfs/dbraw/zinc/57/37/70/585573770.db2.gz JZOQZPSESUCUDR-UHFFFAOYSA-N -1 3 249.226 0.719 20 0 BCADHM CC(C)[C@@](C)(O)C(=O)[N-]C1=NCCS1 ZINC000771106475 585590725 /nfs/dbraw/zinc/59/07/25/585590725.db2.gz MUORWUBRAIGZIW-SECBINFHSA-N -1 3 216.306 0.612 20 0 BCADHM CC(=O)Nc1ncccc1NC(=O)c1nc[n-]n1 ZINC000771471569 585595012 /nfs/dbraw/zinc/59/50/12/585595012.db2.gz CYCVBNUEKNNIPL-UHFFFAOYSA-N -1 3 246.230 0.410 20 0 BCADHM CCOCCO[N-]C(=O)CCCn1cncn1 ZINC000772691747 585620909 /nfs/dbraw/zinc/62/09/09/585620909.db2.gz MAYSGXWDFKSRRU-UHFFFAOYSA-N -1 3 242.279 0.143 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)[N-]OCCOCC ZINC000772696273 585620929 /nfs/dbraw/zinc/62/09/29/585620929.db2.gz PXZQRZHZUNAXQF-LLVKDONJSA-N -1 3 244.335 0.945 20 0 BCADHM CCOCCO[N-]C(=O)C1=COCC1 ZINC000772697331 585621166 /nfs/dbraw/zinc/62/11/66/585621166.db2.gz ZCTLRXNWAUQWBG-UHFFFAOYSA-N -1 3 201.222 0.375 20 0 BCADHM O=C([N-]OC1CCOCC1)[C@@H]1C[C@]12CCOC2 ZINC000772711242 585621894 /nfs/dbraw/zinc/62/18/94/585621894.db2.gz OIONJCZCKIAKHI-JQWIXIFHSA-N -1 3 241.287 0.640 20 0 BCADHM CCCCCCN(C)CC(=O)[N-]OCC(N)=O ZINC000772949214 585627921 /nfs/dbraw/zinc/62/79/21/585627921.db2.gz QSKVLPQESJBDGR-UHFFFAOYSA-N -1 3 245.323 0.032 20 0 BCADHM CON(C)CCNC(=O)c1cc(C)ccc1[O-] ZINC000773168255 585632996 /nfs/dbraw/zinc/63/29/96/585632996.db2.gz FXMXOOZXXBRNAL-UHFFFAOYSA-N -1 3 238.287 0.924 20 0 BCADHM COCCO[N-]C(=O)CCCC(C)=O ZINC000773266517 585634381 /nfs/dbraw/zinc/63/43/81/585634381.db2.gz DFPBFZIHDPGUDS-UHFFFAOYSA-N -1 3 203.238 0.440 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@H]2CCCO2)CC1 ZINC000773550853 585640546 /nfs/dbraw/zinc/64/05/46/585640546.db2.gz GLXFZYWXTNQTGR-SNVBAGLBSA-N -1 3 228.292 0.307 20 0 BCADHM CCOCCO[N-]C(=O)Cc1ccncc1 ZINC000775235575 585673557 /nfs/dbraw/zinc/67/35/57/585673557.db2.gz OIMPJIJWBBEDAO-UHFFFAOYSA-N -1 3 224.260 0.708 20 0 BCADHM CCOCCONC(=O)c1ccc(O)cc1[O-] ZINC000775236866 585673733 /nfs/dbraw/zinc/67/37/33/585673733.db2.gz SJDZRWYHFMYDJS-UHFFFAOYSA-N -1 3 241.243 0.796 20 0 BCADHM C[C@@](O)(CC(=O)[N-]OC1CCOCC1)C1CC1 ZINC000775248640 585674029 /nfs/dbraw/zinc/67/40/29/585674029.db2.gz UGZJGJCUOJPUGP-GFCCVEGCSA-N -1 3 243.303 0.764 20 0 BCADHM CC[C@H](C(=O)[N-]OC1CCOCC1)N(C)C ZINC000775246197 585674140 /nfs/dbraw/zinc/67/41/40/585674140.db2.gz MYIYOMJIMPNRGG-SNVBAGLBSA-N -1 3 230.308 0.553 20 0 BCADHM Cc1n[n-]nc1C(=O)OCC(=O)OCC(C)C ZINC000805545144 585678267 /nfs/dbraw/zinc/67/82/67/585678267.db2.gz GAYQITSGJPTVAW-UHFFFAOYSA-N -1 3 241.247 0.469 20 0 BCADHM CC(=O)CCCOC(=O)c1n[n-]nc1C ZINC000805546047 585678716 /nfs/dbraw/zinc/67/87/16/585678716.db2.gz CZTXCNFTFPIZAU-UHFFFAOYSA-N -1 3 211.221 0.639 20 0 BCADHM NC(=O)CON=C([O-])Nc1ccc(Cl)nc1 ZINC000775518160 585678735 /nfs/dbraw/zinc/67/87/35/585678735.db2.gz CPUNCZPNXFTEPI-UHFFFAOYSA-N -1 3 244.638 0.273 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccc(Cl)nc1 ZINC000775518160 585678736 /nfs/dbraw/zinc/67/87/36/585678736.db2.gz CPUNCZPNXFTEPI-UHFFFAOYSA-N -1 3 244.638 0.273 20 0 BCADHM Cn1ccc(NC([O-])=NOC2CCOCC2)n1 ZINC000775585508 585680877 /nfs/dbraw/zinc/68/08/77/585680877.db2.gz FSVPCAFFBPVIAA-UHFFFAOYSA-N -1 3 240.263 0.652 20 0 BCADHM Cn1ccc(NC(=O)[N-]OC2CCOCC2)n1 ZINC000775585508 585680878 /nfs/dbraw/zinc/68/08/78/585680878.db2.gz FSVPCAFFBPVIAA-UHFFFAOYSA-N -1 3 240.263 0.652 20 0 BCADHM CCOCCO[N-]C(=O)CCCC(=O)OC ZINC000776262916 585694111 /nfs/dbraw/zinc/69/41/11/585694111.db2.gz BYPNRTORPMMDHE-UHFFFAOYSA-N -1 3 233.264 0.414 20 0 BCADHM COc1ccc(NC([O-])=NOCCO)cc1F ZINC000776297696 585695128 /nfs/dbraw/zinc/69/51/28/585695128.db2.gz FODIVINHYUUCRB-UHFFFAOYSA-N -1 3 244.222 0.880 20 0 BCADHM COc1ccc(NC(=O)[N-]OCCO)cc1F ZINC000776297696 585695129 /nfs/dbraw/zinc/69/51/29/585695129.db2.gz FODIVINHYUUCRB-UHFFFAOYSA-N -1 3 244.222 0.880 20 0 BCADHM CC(C)(C)n1cc(NC([O-])=NOCCO)cn1 ZINC000776300262 585695315 /nfs/dbraw/zinc/69/53/15/585695315.db2.gz VTRJLSSSEQPZTN-UHFFFAOYSA-N -1 3 242.279 0.684 20 0 BCADHM CC(C)(C)n1cc(NC(=O)[N-]OCCO)cn1 ZINC000776300262 585695316 /nfs/dbraw/zinc/69/53/16/585695316.db2.gz VTRJLSSSEQPZTN-UHFFFAOYSA-N -1 3 242.279 0.684 20 0 BCADHM COc1cccc(C(=O)NOCCO)c1[O-] ZINC000776579862 585700858 /nfs/dbraw/zinc/70/08/58/585700858.db2.gz QDEGLXLZYYUXLK-UHFFFAOYSA-N -1 3 227.216 0.055 20 0 BCADHM CCCC(O)(CCC)CC(=O)[N-]OCCO ZINC000776583672 585701453 /nfs/dbraw/zinc/70/14/53/585701453.db2.gz KMLAMIGQGUMFCO-UHFFFAOYSA-N -1 3 233.308 0.748 20 0 BCADHM O=C(Cc1ccc(Cl)cc1)[N-]OCCO ZINC000776584522 585701485 /nfs/dbraw/zinc/70/14/85/585701485.db2.gz JFDRZOZOHIRUBZ-UHFFFAOYSA-N -1 3 229.663 0.923 20 0 BCADHM O=C(CCCOc1ccccc1)[N-]OCCO ZINC000776585563 585701954 /nfs/dbraw/zinc/70/19/54/585701954.db2.gz ZYPQQSWCSDVIIJ-UHFFFAOYSA-N -1 3 239.271 0.886 20 0 BCADHM CC(C)CO[N-]C(=O)CCCC(N)=O ZINC000776675822 585702768 /nfs/dbraw/zinc/70/27/68/585702768.db2.gz CEULUZAXWRFYMV-UHFFFAOYSA-N -1 3 202.254 0.346 20 0 BCADHM O=C([N-]N1CN=NC1=O)c1cc(F)ccc1O ZINC000777768566 585719774 /nfs/dbraw/zinc/71/97/74/585719774.db2.gz RMCOVDNDTDFDON-UHFFFAOYSA-N -1 3 238.178 0.212 20 0 BCADHM Cc1ccc(C(=O)[N-]n2ccccc2=O)cn1 ZINC000777783634 585720174 /nfs/dbraw/zinc/72/01/74/585720174.db2.gz MUXWFZYXROVQMZ-UHFFFAOYSA-N -1 3 229.239 0.936 20 0 BCADHM OCC[C@H]1CCCN1c1nc2nncc-2c(O)[n-]1 ZINC000777821768 585720587 /nfs/dbraw/zinc/72/05/87/585720587.db2.gz FXBKLPVULQBTJO-SSDOTTSWSA-N -1 3 249.274 0.410 20 0 BCADHM O=C(OC[C@@H](F)C(F)(F)F)c1c[n-]nn1 ZINC000805603351 585728015 /nfs/dbraw/zinc/72/80/15/585728015.db2.gz HWTKTEOZXPJOSF-SCSAIBSYSA-N -1 3 227.117 0.862 20 0 BCADHM CCc1nnc(COC(=O)c2cnn[n-]2)s1 ZINC000805603145 585727841 /nfs/dbraw/zinc/72/78/41/585727841.db2.gz DMQXCJFVGUFPMF-UHFFFAOYSA-N -1 3 239.260 0.576 20 0 BCADHM CCc1nnc(COC(=O)c2c[n-]nn2)s1 ZINC000805603145 585727842 /nfs/dbraw/zinc/72/78/42/585727842.db2.gz DMQXCJFVGUFPMF-UHFFFAOYSA-N -1 3 239.260 0.576 20 0 BCADHM CCc1nnc([C@@H](C)OC(=O)c2cnn[n-]2)o1 ZINC000805603152 585728002 /nfs/dbraw/zinc/72/80/02/585728002.db2.gz DTPIHDKNCFEHSE-RXMQYKEDSA-N -1 3 237.219 0.668 20 0 BCADHM CCc1nnc([C@@H](C)OC(=O)c2c[n-]nn2)o1 ZINC000805603152 585728003 /nfs/dbraw/zinc/72/80/03/585728003.db2.gz DTPIHDKNCFEHSE-RXMQYKEDSA-N -1 3 237.219 0.668 20 0 BCADHM O=C(OC[C@@H](F)C(F)(F)F)c1cnn[n-]1 ZINC000805603351 585728014 /nfs/dbraw/zinc/72/80/14/585728014.db2.gz HWTKTEOZXPJOSF-SCSAIBSYSA-N -1 3 227.117 0.862 20 0 BCADHM O=C(OCCOCC(F)(F)F)c1cnn[n-]1 ZINC000805604498 585730991 /nfs/dbraw/zinc/73/09/91/585730991.db2.gz LHIWSJSSZZRSOO-UHFFFAOYSA-N -1 3 239.153 0.540 20 0 BCADHM O=C(OCCOCC(F)(F)F)c1c[n-]nn1 ZINC000805604498 585730992 /nfs/dbraw/zinc/73/09/92/585730992.db2.gz LHIWSJSSZZRSOO-UHFFFAOYSA-N -1 3 239.153 0.540 20 0 BCADHM O=C(COC(=O)c1cnn[n-]1)Nc1ccccc1 ZINC000805605632 585732196 /nfs/dbraw/zinc/73/21/96/585732196.db2.gz OZBJZCNNTYZURO-UHFFFAOYSA-N -1 3 246.226 0.600 20 0 BCADHM O=C(COC(=O)c1c[n-]nn1)Nc1ccccc1 ZINC000805605632 585732197 /nfs/dbraw/zinc/73/21/97/585732197.db2.gz OZBJZCNNTYZURO-UHFFFAOYSA-N -1 3 246.226 0.600 20 0 BCADHM Cc1noc([C@H](C)OC(=O)c2cnn[n-]2)n1 ZINC000805605719 585732204 /nfs/dbraw/zinc/73/22/04/585732204.db2.gz NJFXUMDVGSKVFS-BYPYZUCNSA-N -1 3 223.192 0.414 20 0 BCADHM Cc1noc([C@H](C)OC(=O)c2c[n-]nn2)n1 ZINC000805605719 585732205 /nfs/dbraw/zinc/73/22/05/585732205.db2.gz NJFXUMDVGSKVFS-BYPYZUCNSA-N -1 3 223.192 0.414 20 0 BCADHM CCCCNC(=O)[C@H](C)OC(=O)c1cnn[n-]1 ZINC000805605671 585732208 /nfs/dbraw/zinc/73/22/08/585732208.db2.gz MASLEVUOGGFYHZ-ZETCQYMHSA-N -1 3 240.263 0.266 20 0 BCADHM CCCCNC(=O)[C@H](C)OC(=O)c1c[n-]nn1 ZINC000805605671 585732209 /nfs/dbraw/zinc/73/22/09/585732209.db2.gz MASLEVUOGGFYHZ-ZETCQYMHSA-N -1 3 240.263 0.266 20 0 BCADHM O=C(OCCCCCCO)c1cnn[n-]1 ZINC000805605790 585732387 /nfs/dbraw/zinc/73/23/87/585732387.db2.gz NYKABVFFKARYME-UHFFFAOYSA-N -1 3 213.237 0.514 20 0 BCADHM O=C(OCCCCCCO)c1c[n-]nn1 ZINC000805605790 585732388 /nfs/dbraw/zinc/73/23/88/585732388.db2.gz NYKABVFFKARYME-UHFFFAOYSA-N -1 3 213.237 0.514 20 0 BCADHM CC(C)n1ncnc1COC(=O)c1cnn[n-]1 ZINC000805606268 585733036 /nfs/dbraw/zinc/73/30/36/585733036.db2.gz VDOCOMLFHTUKKZ-UHFFFAOYSA-N -1 3 236.235 0.334 20 0 BCADHM CC(C)n1ncnc1COC(=O)c1c[n-]nn1 ZINC000805606268 585733037 /nfs/dbraw/zinc/73/30/37/585733037.db2.gz VDOCOMLFHTUKKZ-UHFFFAOYSA-N -1 3 236.235 0.334 20 0 BCADHM O=C(COC(=O)c1cnn[n-]1)NC1CCCC1 ZINC000805606983 585734104 /nfs/dbraw/zinc/73/41/04/585734104.db2.gz PRODRHGQUFABRE-UHFFFAOYSA-N -1 3 238.247 0.020 20 0 BCADHM O=C(COC(=O)c1c[n-]nn1)NC1CCCC1 ZINC000805606983 585734105 /nfs/dbraw/zinc/73/41/05/585734105.db2.gz PRODRHGQUFABRE-UHFFFAOYSA-N -1 3 238.247 0.020 20 0 BCADHM CCOC1CC(COC(=O)c2cnn[n-]2)C1 ZINC000805607934 585735288 /nfs/dbraw/zinc/73/52/88/585735288.db2.gz ULEUIOCXIPDZBA-UHFFFAOYSA-N -1 3 225.248 0.777 20 0 BCADHM CCOC1CC(COC(=O)c2c[n-]nn2)C1 ZINC000805607934 585735289 /nfs/dbraw/zinc/73/52/89/585735289.db2.gz ULEUIOCXIPDZBA-UHFFFAOYSA-N -1 3 225.248 0.777 20 0 BCADHM Cc1cc(C(=O)O[C@H]2CCNC2=O)ccc1[O-] ZINC000778853080 585741752 /nfs/dbraw/zinc/74/17/52/585741752.db2.gz IFWWNNWJGNMMMC-JTQLQIEISA-N -1 3 235.239 0.746 20 0 BCADHM O=C(CC(F)(F)F)[N-]N1CCCNC1=O ZINC000779446142 585755107 /nfs/dbraw/zinc/75/51/07/585755107.db2.gz CHYBOEAOOLFKOJ-UHFFFAOYSA-N -1 3 225.170 0.385 20 0 BCADHM C[C@@H](Oc1ccccc1)C(=O)[N-]c1nnnn1C ZINC000779467896 585755778 /nfs/dbraw/zinc/75/57/78/585755778.db2.gz ZLHMLBHOYPANRL-MRVPVSSYSA-N -1 3 247.258 0.616 20 0 BCADHM COCCO[N-]C(=O)CCCCC(=O)OC ZINC000779803591 585764888 /nfs/dbraw/zinc/76/48/88/585764888.db2.gz PNEXDNRBEHDMDN-UHFFFAOYSA-N -1 3 233.264 0.414 20 0 BCADHM CC1CCN(CCNC(=O)NCC(=O)[O-])CC1 ZINC000780408804 585778937 /nfs/dbraw/zinc/77/89/37/585778937.db2.gz PEJJERBWDMMZQA-UHFFFAOYSA-N -1 3 243.307 0.102 20 0 BCADHM COc1nc(C)ccc1C(=O)[N-]N1CCCC1=O ZINC000780698915 585783055 /nfs/dbraw/zinc/78/30/55/585783055.db2.gz CIBMDRQRSRPPMA-UHFFFAOYSA-N -1 3 249.270 0.666 20 0 BCADHM NC(=O)C1(NC(=O)c2cccc([O-])c2)CCCC1 ZINC000780937574 585786714 /nfs/dbraw/zinc/78/67/14/585786714.db2.gz GVYWQXWBXDNHJY-UHFFFAOYSA-N -1 3 248.282 0.920 20 0 BCADHM Cc1nonc1CNC(=O)c1ccc(O)cc1[O-] ZINC000780944400 585786965 /nfs/dbraw/zinc/78/69/65/585786965.db2.gz NGGQUYFOWBGQKL-UHFFFAOYSA-N -1 3 249.226 0.719 20 0 BCADHM CCn1cc(CC(=O)[N-]OCC(F)F)cn1 ZINC000781019611 585788602 /nfs/dbraw/zinc/78/86/02/585788602.db2.gz GYMJTAONOKEADB-UHFFFAOYSA-N -1 3 233.218 0.758 20 0 BCADHM O=C(N[C@H](CO)C1CC1)c1cccc([O-])c1 ZINC000781015916 585788724 /nfs/dbraw/zinc/78/87/24/585788724.db2.gz RHTMPVANCIQJDU-LLVKDONJSA-N -1 3 221.256 0.893 20 0 BCADHM CC(C)[C@H](C(=O)NCC(C)(C)C(=O)[O-])N(C)C ZINC000781134497 585791361 /nfs/dbraw/zinc/79/13/61/585791361.db2.gz JKTBRQKYRIGZNA-SECBINFHSA-N -1 3 244.335 0.800 20 0 BCADHM COc1nc(C)ccc1C(=O)[N-]N1CN=NC1=O ZINC000782125991 585808078 /nfs/dbraw/zinc/80/80/78/585808078.db2.gz SWHHFQCCRNGQBF-UHFFFAOYSA-N -1 3 249.230 0.080 20 0 BCADHM CC(=O)[N-]OCCOC[C@H]1CCCO1 ZINC000782320376 585814736 /nfs/dbraw/zinc/81/47/36/585814736.db2.gz GTVYIWILNVNVSV-SECBINFHSA-N -1 3 203.238 0.250 20 0 BCADHM CC1(C)C[C@H](N=c2ncnc3[nH][n-]cc2-3)C(=O)O1 ZINC000782352236 585816077 /nfs/dbraw/zinc/81/60/77/585816077.db2.gz GHRBVAJOSYRUSL-ZETCQYMHSA-N -1 3 247.258 0.232 20 0 BCADHM C[C@H]1CN(C)C(=O)CN1C(=O)c1ccccc1[O-] ZINC000782883037 585825520 /nfs/dbraw/zinc/82/55/20/585825520.db2.gz XSHIWGBJBSZLAE-VIFPVBQESA-N -1 3 248.282 0.695 20 0 BCADHM CCc1n[nH]cc1C(=O)[N-]N1CCCNC1=O ZINC000783602388 585837920 /nfs/dbraw/zinc/83/79/20/585837920.db2.gz DEXGHBUJBINOGQ-UHFFFAOYSA-N -1 3 237.263 0.032 20 0 BCADHM Cc1ccc([O-])c(CN2CC(=O)N(C)C[C@@H]2C)n1 ZINC000783734897 585841054 /nfs/dbraw/zinc/84/10/54/585841054.db2.gz WTJUXKXVUUWRRD-JTQLQIEISA-N -1 3 249.314 0.758 20 0 BCADHM O=C(c1c([O-])cccc1O)N1C[C@@H]2C[C@]2(CO)C1 ZINC000783937065 585846006 /nfs/dbraw/zinc/84/60/06/585846006.db2.gz UMLRMBPGBJOBCW-ISVAXAHUSA-N -1 3 249.266 0.552 20 0 BCADHM COC(C)(C)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000785285500 585872347 /nfs/dbraw/zinc/87/23/47/585872347.db2.gz WSRMZTFBKWPCQL-VIFPVBQESA-N -1 3 231.292 0.886 20 0 BCADHM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]Cc1ccon1 ZINC000785500251 585874946 /nfs/dbraw/zinc/87/49/46/585874946.db2.gz JNIPQCDFYAWFTR-APPZFPTMSA-N -1 3 246.288 0.271 20 0 BCADHM Cc1nnc([N-]C(=O)c2cnn(C)n2)s1 ZINC000785925299 585883446 /nfs/dbraw/zinc/88/34/46/585883446.db2.gz PJOINTVMMNCJKF-UHFFFAOYSA-N -1 3 224.249 0.227 20 0 BCADHM Cc1[n-]nc(C(C)C)c1C(=O)OCCO ZINC000786344262 585890117 /nfs/dbraw/zinc/89/01/17/585890117.db2.gz YXDUZWXPBKNALP-UHFFFAOYSA-N -1 3 212.249 0.991 20 0 BCADHM Cc1n[n-]c(C(C)C)c1C(=O)OCCO ZINC000786344262 585890118 /nfs/dbraw/zinc/89/01/18/585890118.db2.gz YXDUZWXPBKNALP-UHFFFAOYSA-N -1 3 212.249 0.991 20 0 BCADHM Cn1nnc(C[N-]C(=O)C(C)(Cl)Cl)n1 ZINC000786473297 585892272 /nfs/dbraw/zinc/89/22/72/585892272.db2.gz KFMOCDILXIQWLS-UHFFFAOYSA-N -1 3 238.078 0.020 20 0 BCADHM CC(C)(O)CCC(=O)[N-]C1=NCCS1 ZINC000786735148 585896952 /nfs/dbraw/zinc/89/69/52/585896952.db2.gz NSWWKMMEVBFURT-UHFFFAOYSA-N -1 3 216.306 0.757 20 0 BCADHM CCc1cccc(C(=O)NOCCO)c1[O-] ZINC000787284766 585904952 /nfs/dbraw/zinc/90/49/52/585904952.db2.gz XFQDGXAYTRBYJW-UHFFFAOYSA-N -1 3 225.244 0.608 20 0 BCADHM Cc1cc(C)n([C@@H](C)CC(=O)[N-]OCCO)n1 ZINC000787286282 585905041 /nfs/dbraw/zinc/90/50/41/585905041.db2.gz DPDWDJPJTHVLHH-JTQLQIEISA-N -1 3 241.291 0.491 20 0 BCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)[N-]OCCO ZINC000787291756 585905182 /nfs/dbraw/zinc/90/51/82/585905182.db2.gz CQNNKHBWZPVECV-WCBMZHEXSA-N -1 3 201.266 0.709 20 0 BCADHM C[C@@H](CC(=O)[N-]OCCO)n1cccc1 ZINC000787287155 585905328 /nfs/dbraw/zinc/90/53/28/585905328.db2.gz RGKGCQUGDOZMDQ-VIFPVBQESA-N -1 3 212.249 0.479 20 0 BCADHM O=C(C[C@@H](O)c1cccc(F)c1)[N-]OCCO ZINC000787292884 585905507 /nfs/dbraw/zinc/90/55/07/585905507.db2.gz TUEOVONGLAPBQY-SNVBAGLBSA-N -1 3 243.234 0.289 20 0 BCADHM CC(=O)c1ccc(CC(=O)[N-]OCCO)cc1 ZINC000787294629 585905915 /nfs/dbraw/zinc/90/59/15/585905915.db2.gz WWGKRODFUFMVMD-UHFFFAOYSA-N -1 3 237.255 0.472 20 0 BCADHM CCCCCCN(C)CC(=O)[N-]OCCO ZINC000787296638 585906202 /nfs/dbraw/zinc/90/62/02/585906202.db2.gz PEJCJXUBLGQINB-UHFFFAOYSA-N -1 3 232.324 0.539 20 0 BCADHM CCOC(=O)C(C)(C)[N-]C(=O)C(F)F ZINC000787301113 585906557 /nfs/dbraw/zinc/90/65/57/585906557.db2.gz BXXHEELKJQUYFR-UHFFFAOYSA-N -1 3 209.192 0.709 20 0 BCADHM CC(C)n1cnnc1C[N-]C(=O)C(F)F ZINC000787322268 585906855 /nfs/dbraw/zinc/90/68/55/585906855.db2.gz CYNYRMRKQSBFMC-UHFFFAOYSA-N -1 3 218.207 0.740 20 0 BCADHM COC(=O)[C@H]([N-]C(=O)C(F)F)C(C)(C)C ZINC000787377624 585908298 /nfs/dbraw/zinc/90/82/98/585908298.db2.gz PPTMPERPKMMZBZ-YFKPBYRVSA-N -1 3 223.219 0.955 20 0 BCADHM COCCO[N-]C(=O)[C@H]1CCCN1C1CC1 ZINC000787407475 585908748 /nfs/dbraw/zinc/90/87/48/585908748.db2.gz BEJRBMXZIAMFCR-SNVBAGLBSA-N -1 3 228.292 0.307 20 0 BCADHM CCCCOC(=O)CSc1n[n-]c(CO)n1 ZINC000787486610 585910347 /nfs/dbraw/zinc/91/03/47/585910347.db2.gz OIIVZIYFTKVPNG-UHFFFAOYSA-N -1 3 245.304 0.732 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000788223780 585919615 /nfs/dbraw/zinc/91/96/15/585919615.db2.gz QKFUGVULZYJBPJ-BRPSZJMVSA-N -1 3 213.277 0.851 20 0 BCADHM C[C@@H](C(=O)[N-]OC[C@@H]1CCOC1)N(C)C ZINC000788574505 585927121 /nfs/dbraw/zinc/92/71/21/585927121.db2.gz MKPZNZDSWYQGOC-DTWKUNHWSA-N -1 3 216.281 0.021 20 0 BCADHM C[C@@](O)(CC(=O)[N-]OC[C@H]1CCOC1)C1CC1 ZINC000788570933 585927218 /nfs/dbraw/zinc/92/72/18/585927218.db2.gz BGMGGKSKQXGXPZ-JOYOIKCWSA-N -1 3 243.303 0.622 20 0 BCADHM COc1ccc(N(C)C(=O)c2n[n-]nc2C)cn1 ZINC000789964532 585954959 /nfs/dbraw/zinc/95/49/59/585954959.db2.gz VZKXRTYKCYNDKR-UHFFFAOYSA-N -1 3 247.258 0.793 20 0 BCADHM Cc1n[nH]nc1C(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000790018619 585956187 /nfs/dbraw/zinc/95/61/87/585956187.db2.gz GTBSRDVEJVOMNF-UHFFFAOYSA-N -1 3 249.278 0.712 20 0 BCADHM Cc1cc(NC(=O)c2n[n-]nc2C)n[nH]1 ZINC000790069812 585956515 /nfs/dbraw/zinc/95/65/15/585956515.db2.gz VMWZPFOOZVSNCD-UHFFFAOYSA-N -1 3 206.209 0.397 20 0 BCADHM Cn1c(=O)[n-]nc1SCc1ncccn1 ZINC000790492477 585965453 /nfs/dbraw/zinc/96/54/53/585965453.db2.gz WLOGMIKUZWBDAB-UHFFFAOYSA-N -1 3 223.261 0.603 20 0 BCADHM CC1(CNC(=O)c2csc(=O)[n-]2)OCCO1 ZINC000792266882 585998637 /nfs/dbraw/zinc/99/86/37/585998637.db2.gz MZIAKRUOQGZUQS-UHFFFAOYSA-N -1 3 244.272 0.342 20 0 BCADHM [O-]C(=NOCCO)Nc1ccc2nccn2c1 ZINC000792315838 585999692 /nfs/dbraw/zinc/99/96/92/585999692.db2.gz QIALCYLJOUNXRL-UHFFFAOYSA-N -1 3 236.231 0.380 20 0 BCADHM O=C([N-]OCCO)Nc1ccc2nccn2c1 ZINC000792315838 585999693 /nfs/dbraw/zinc/99/96/93/585999693.db2.gz QIALCYLJOUNXRL-UHFFFAOYSA-N -1 3 236.231 0.380 20 0 BCADHM COc1ncc(C)cc1NC([O-])=NOCCO ZINC000792323883 585999705 /nfs/dbraw/zinc/99/97/05/585999705.db2.gz WQPUQXNIZWVPAF-UHFFFAOYSA-N -1 3 241.247 0.444 20 0 BCADHM COc1ncc(C)cc1NC(=O)[N-]OCCO ZINC000792323883 585999706 /nfs/dbraw/zinc/99/97/06/585999706.db2.gz WQPUQXNIZWVPAF-UHFFFAOYSA-N -1 3 241.247 0.444 20 0 BCADHM COCCON=C([O-])Nc1ccc(OC)cn1 ZINC000792360101 585999972 /nfs/dbraw/zinc/99/99/72/585999972.db2.gz QDZWHEHOHDPAGB-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM COCCO[N-]C(=O)Nc1ccc(OC)cn1 ZINC000792360101 585999973 /nfs/dbraw/zinc/99/99/73/585999973.db2.gz QDZWHEHOHDPAGB-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM [O-]C(=NOCCO)Nc1cccc2c1OCO2 ZINC000792362737 586000131 /nfs/dbraw/zinc/00/01/31/586000131.db2.gz HHBBKQYOKCZYBD-UHFFFAOYSA-N -1 3 240.215 0.461 20 0 BCADHM O=C([N-]OCCO)Nc1cccc2c1OCO2 ZINC000792362737 586000132 /nfs/dbraw/zinc/00/01/32/586000132.db2.gz HHBBKQYOKCZYBD-UHFFFAOYSA-N -1 3 240.215 0.461 20 0 BCADHM [O-]C(=NOCCO)Nc1ccc(F)cn1 ZINC000792359118 586000162 /nfs/dbraw/zinc/00/01/62/586000162.db2.gz FWHRALHSNZTDFT-UHFFFAOYSA-N -1 3 215.184 0.266 20 0 BCADHM O=C([N-]OCCO)Nc1ccc(F)cn1 ZINC000792359118 586000163 /nfs/dbraw/zinc/00/01/63/586000163.db2.gz FWHRALHSNZTDFT-UHFFFAOYSA-N -1 3 215.184 0.266 20 0 BCADHM [O-]C(=NOCCO)Nc1cccc(F)n1 ZINC000792374967 586000377 /nfs/dbraw/zinc/00/03/77/586000377.db2.gz DDNJPSQUFWMIKR-UHFFFAOYSA-N -1 3 215.184 0.266 20 0 BCADHM O=C([N-]OCCO)Nc1cccc(F)n1 ZINC000792374967 586000378 /nfs/dbraw/zinc/00/03/78/586000378.db2.gz DDNJPSQUFWMIKR-UHFFFAOYSA-N -1 3 215.184 0.266 20 0 BCADHM COC(=O)[C@H](CC1CC1)[N-]C(=O)C(F)F ZINC000839815606 586000798 /nfs/dbraw/zinc/00/07/98/586000798.db2.gz ZXVJGOZXSGNTIS-LURJTMIESA-N -1 3 221.203 0.709 20 0 BCADHM CSc1nnc(NC(=O)CC2OCCO2)[n-]1 ZINC000793295281 586016248 /nfs/dbraw/zinc/01/62/48/586016248.db2.gz NHCFRGPOKUYSHG-UHFFFAOYSA-N -1 3 244.276 0.228 20 0 BCADHM CSc1n[n-]c(NC(=O)CC2OCCO2)n1 ZINC000793295281 586016249 /nfs/dbraw/zinc/01/62/49/586016249.db2.gz NHCFRGPOKUYSHG-UHFFFAOYSA-N -1 3 244.276 0.228 20 0 BCADHM CSc1nc(NC(=O)CC2OCCO2)n[n-]1 ZINC000793295281 586016250 /nfs/dbraw/zinc/01/62/50/586016250.db2.gz NHCFRGPOKUYSHG-UHFFFAOYSA-N -1 3 244.276 0.228 20 0 BCADHM COCCO[N-]C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000793612379 586024328 /nfs/dbraw/zinc/02/43/28/586024328.db2.gz AJTDEYMCUXUKGX-RKDXNWHRSA-N -1 3 229.276 0.686 20 0 BCADHM CCNC(=O)CCC(=O)[N-]OC/C=C/Cl ZINC000794290009 586036925 /nfs/dbraw/zinc/03/69/25/586036925.db2.gz XHDABZFLZNPROV-ZZXKWVIFSA-N -1 3 234.683 0.703 20 0 BCADHM CCOCCO[N-]C(=O)CCc1ccn(C)n1 ZINC000794434446 586039477 /nfs/dbraw/zinc/03/94/77/586039477.db2.gz OMERYNPHOHMUCL-UHFFFAOYSA-N -1 3 241.291 0.437 20 0 BCADHM CC(C)OCCO[N-]C(=O)C1=COCC1 ZINC000795076122 586067824 /nfs/dbraw/zinc/06/78/24/586067824.db2.gz SCJZPIOFJJEZMO-UHFFFAOYSA-N -1 3 215.249 0.763 20 0 BCADHM CNC(=O)CCCC(=O)[N-]OCCOC(C)C ZINC000795065315 586068071 /nfs/dbraw/zinc/06/80/71/586068071.db2.gz LQWMFIXZQDPSLX-UHFFFAOYSA-N -1 3 246.307 0.376 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@@H]1CCC[C@H](O)C1 ZINC000795575609 586086480 /nfs/dbraw/zinc/08/64/80/586086480.db2.gz XTIMQSNCTYRQNU-BDAKNGLRSA-N -1 3 239.275 0.821 20 0 BCADHM O=C(OC[C@H]1CCC[C@@H](O)C1)c1cnn[n-]1 ZINC000795597023 586088133 /nfs/dbraw/zinc/08/81/33/586088133.db2.gz ARRYWQCDYSKGCU-JGVFFNPUSA-N -1 3 225.248 0.513 20 0 BCADHM O=C(OC[C@H]1CCC[C@@H](O)C1)c1c[n-]nn1 ZINC000795597023 586088135 /nfs/dbraw/zinc/08/81/35/586088135.db2.gz ARRYWQCDYSKGCU-JGVFFNPUSA-N -1 3 225.248 0.513 20 0 BCADHM COC(=O)CCCC(=O)[N-]OCCSC ZINC000795878587 586093988 /nfs/dbraw/zinc/09/39/88/586093988.db2.gz KAJONXDBYAQWNA-UHFFFAOYSA-N -1 3 235.305 0.741 20 0 BCADHM CCON=C([O-])Nc1nccc(N(C)C)n1 ZINC000797640098 586129606 /nfs/dbraw/zinc/12/96/06/586129606.db2.gz HBXVZPOWNBKVCH-UHFFFAOYSA-N -1 3 225.252 0.616 20 0 BCADHM CCO[N-]C(=O)Nc1nccc(N(C)C)n1 ZINC000797640098 586129607 /nfs/dbraw/zinc/12/96/07/586129607.db2.gz HBXVZPOWNBKVCH-UHFFFAOYSA-N -1 3 225.252 0.616 20 0 BCADHM CSCCON=C([O-])Nc1ccncn1 ZINC000797647941 586129813 /nfs/dbraw/zinc/12/98/13/586129813.db2.gz QEZCUFOJDSLKOW-UHFFFAOYSA-N -1 3 228.277 0.893 20 0 BCADHM CSCCO[N-]C(=O)Nc1ccncn1 ZINC000797647941 586129814 /nfs/dbraw/zinc/12/98/14/586129814.db2.gz QEZCUFOJDSLKOW-UHFFFAOYSA-N -1 3 228.277 0.893 20 0 BCADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)[N-]OCC(N)=O ZINC000797748546 586130546 /nfs/dbraw/zinc/13/05/46/586130546.db2.gz KEJHHSDFVNXZON-UWJYBYFXSA-N -1 3 248.282 0.569 20 0 BCADHM CC(C)(C(=O)[N-]OCCO)C1CCOCC1 ZINC000797753599 586130717 /nfs/dbraw/zinc/13/07/17/586130717.db2.gz SAJKSULVLVEYCH-UHFFFAOYSA-N -1 3 231.292 0.479 20 0 BCADHM CO[N-]C(=O)Cc1ccc([S@@](C)=O)cc1 ZINC000797821217 586132298 /nfs/dbraw/zinc/13/22/98/586132298.db2.gz IVUHXWUZVSFCMZ-OAHLLOKOSA-N -1 3 227.285 0.644 20 0 BCADHM Cc1nnc(N[C@H](C)CO)c(-c2nnn[n-]2)c1C ZINC000103636229 586168914 /nfs/dbraw/zinc/16/89/14/586168914.db2.gz WMVIGILMXPXOIT-RXMQYKEDSA-N -1 3 249.278 0.066 20 0 BCADHM Cc1nnc(N[C@H](C)CO)c(-c2nn[n-]n2)c1C ZINC000103636229 586168915 /nfs/dbraw/zinc/16/89/15/586168915.db2.gz WMVIGILMXPXOIT-RXMQYKEDSA-N -1 3 249.278 0.066 20 0 BCADHM Cn1nnc(COC(=O)c2cc3occc3[n-]2)n1 ZINC000799515204 586183492 /nfs/dbraw/zinc/18/34/92/586183492.db2.gz SONXTKBQJUBJNJ-UHFFFAOYSA-N -1 3 247.214 0.641 20 0 BCADHM C/C=C\C[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000859358941 589033611 /nfs/dbraw/zinc/03/36/11/589033611.db2.gz MOVCWORDJXCCSF-ARJAWSKDSA-N -1 3 249.723 0.928 20 0 BCADHM Cc1n[n-]nc1C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000800689579 586227066 /nfs/dbraw/zinc/22/70/66/586227066.db2.gz KCEIUIRDVWCAFJ-UHFFFAOYSA-N -1 3 232.247 0.966 20 0 BCADHM Cn1ncnc1COC(=O)c1cncc([O-])c1 ZINC000801261997 586250755 /nfs/dbraw/zinc/25/07/55/586250755.db2.gz GSCWNSAKIDXVOS-UHFFFAOYSA-N -1 3 234.215 0.273 20 0 BCADHM C[C@@H]1C[C@@H]1COC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000859475783 589039798 /nfs/dbraw/zinc/03/97/98/589039798.db2.gz OHRSFWKGNBTNFD-PRJMDXOYSA-N -1 3 240.259 0.174 20 0 BCADHM Cn1ncc(C(=O)Nc2ncccc2[O-])n1 ZINC000803098101 586333489 /nfs/dbraw/zinc/33/34/89/586333489.db2.gz LIOOQKJGZCKECH-UHFFFAOYSA-N -1 3 219.204 0.168 20 0 BCADHM CCOCCO[N-]C(=O)CCc1ncc[nH]1 ZINC000807268611 586430928 /nfs/dbraw/zinc/43/09/28/586430928.db2.gz QSGQLHQMZYSBQW-UHFFFAOYSA-N -1 3 227.264 0.427 20 0 BCADHM CC1(C)C[C@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000808258474 586468738 /nfs/dbraw/zinc/46/87/38/586468738.db2.gz LDEYUOOBNCRESX-VIFPVBQESA-N -1 3 237.303 0.805 20 0 BCADHM C[C@H]1CCNC(=O)[C@@H]1[N-]C(=O)C(C)(F)F ZINC000808469980 586475487 /nfs/dbraw/zinc/47/54/87/586475487.db2.gz RIBHCMAKYRUUNG-NTSWFWBYSA-N -1 3 220.219 0.282 20 0 BCADHM COC(=O)C[C@H](C)CC(=O)[N-]OCCSC ZINC000809801187 586520981 /nfs/dbraw/zinc/52/09/81/586520981.db2.gz ONCWAVGARNEVQZ-MRVPVSSYSA-N -1 3 249.332 0.987 20 0 BCADHM Cn1nncc1NC([O-])=NOCC(F)F ZINC000809910640 586523838 /nfs/dbraw/zinc/52/38/38/586523838.db2.gz PVGOCXXNDHGTQI-UHFFFAOYSA-N -1 3 221.167 0.133 20 0 BCADHM Cn1nncc1NC(=O)[N-]OCC(F)F ZINC000809910640 586523840 /nfs/dbraw/zinc/52/38/40/586523840.db2.gz PVGOCXXNDHGTQI-UHFFFAOYSA-N -1 3 221.167 0.133 20 0 BCADHM C[C@]1([N-]S(=O)(=O)CC2CCC2)CCOC1=O ZINC000810102450 586534472 /nfs/dbraw/zinc/53/44/72/586534472.db2.gz HXWJDHQAADDMQW-JTQLQIEISA-N -1 3 247.316 0.412 20 0 BCADHM COC(=O)CCCO[N-]C(=O)[C@H]1CCSC1 ZINC000811559680 586561140 /nfs/dbraw/zinc/56/11/40/586561140.db2.gz JYTXQCJCQKCPTC-QMMMGPOBSA-N -1 3 247.316 0.741 20 0 BCADHM O=C([N-]OC/C=C/Cl)[C@@H]1CCNC(=O)C1 ZINC000812400699 586575727 /nfs/dbraw/zinc/57/57/27/586575727.db2.gz BVOOLIGDRDRPQS-RCYFRSRISA-N -1 3 232.667 0.313 20 0 BCADHM O=C(CCc1nnc[nH]1)[N-]OC/C=C\Cl ZINC000812408750 586576578 /nfs/dbraw/zinc/57/65/78/586576578.db2.gz LQWDCOXQPSZPBV-RJRFIUFISA-N -1 3 230.655 0.538 20 0 BCADHM O=C(CCc1nc[nH]n1)[N-]OC/C=C\Cl ZINC000812408750 586576579 /nfs/dbraw/zinc/57/65/79/586576579.db2.gz LQWDCOXQPSZPBV-RJRFIUFISA-N -1 3 230.655 0.538 20 0 BCADHM COCC1(COC(=O)c2cnn[n-]2)CCC1 ZINC000812598563 586579840 /nfs/dbraw/zinc/57/98/40/586579840.db2.gz NVDOWAGUXDZZSD-UHFFFAOYSA-N -1 3 225.248 0.778 20 0 BCADHM COCC1(COC(=O)c2c[n-]nn2)CCC1 ZINC000812598563 586579841 /nfs/dbraw/zinc/57/98/41/586579841.db2.gz NVDOWAGUXDZZSD-UHFFFAOYSA-N -1 3 225.248 0.778 20 0 BCADHM CCCNC(=O)CCC(=O)[N-]OC1CCC1 ZINC000812792239 586585675 /nfs/dbraw/zinc/58/56/75/586585675.db2.gz QNQMTASGAUWFKA-UHFFFAOYSA-N -1 3 228.292 0.893 20 0 BCADHM CS(=O)(=O)CCCC(=O)[N-]OC1CCC1 ZINC000812795812 586586093 /nfs/dbraw/zinc/58/60/93/586586093.db2.gz KLVRRXOYPUHGNB-UHFFFAOYSA-N -1 3 235.305 0.412 20 0 BCADHM COC(=O)CCCC(=O)[N-]OCCOC(C)C ZINC000812806234 586586579 /nfs/dbraw/zinc/58/65/79/586586579.db2.gz UFGUCCKIZBPLFK-UHFFFAOYSA-N -1 3 247.291 0.803 20 0 BCADHM Cn1cc(NC([O-])=NOCc2cccnc2)nn1 ZINC000813008947 586589475 /nfs/dbraw/zinc/58/94/75/586589475.db2.gz ATKXWXJMKYKDJF-UHFFFAOYSA-N -1 3 248.246 0.463 20 0 BCADHM Cn1cc(NC(=O)[N-]OCc2cccnc2)nn1 ZINC000813008947 586589476 /nfs/dbraw/zinc/58/94/76/586589476.db2.gz ATKXWXJMKYKDJF-UHFFFAOYSA-N -1 3 248.246 0.463 20 0 BCADHM CO[N-]C(=O)C[C@H](O)Cc1ccccc1 ZINC000813404932 586601801 /nfs/dbraw/zinc/60/18/01/586601801.db2.gz PAQOJGQJWPDXKL-SNVBAGLBSA-N -1 3 209.245 0.658 20 0 BCADHM CC(F)(F)C(=O)[N-][C@@H]1CC(C)(C)OC1=O ZINC000815868356 586695540 /nfs/dbraw/zinc/69/55/40/586695540.db2.gz MTJSDVHYZCJISO-RXMQYKEDSA-N -1 3 221.203 0.852 20 0 BCADHM CCn1nc(C)c(CC(=O)[N-]OCCO)c1C ZINC000816175050 586711521 /nfs/dbraw/zinc/71/15/21/586711521.db2.gz DAXGVSGKBZNZGR-UHFFFAOYSA-N -1 3 241.291 0.102 20 0 BCADHM C[C@H]1C(=O)CC[C@H]1CC(=O)[N-]OCC(C)(C)O ZINC000816383156 586723184 /nfs/dbraw/zinc/72/31/84/586723184.db2.gz JUTUJRXYFKPKKG-BDAKNGLRSA-N -1 3 243.303 0.810 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C[C@H]1CCOC1 ZINC000816382287 586723189 /nfs/dbraw/zinc/72/31/89/586723189.db2.gz JUYUBEGSEBUMOC-MRVPVSSYSA-N -1 3 217.265 0.232 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCCn1ccnc1 ZINC000816383726 586723429 /nfs/dbraw/zinc/72/34/29/586723429.db2.gz YCZFYQXYKBSLSX-UHFFFAOYSA-N -1 3 241.291 0.482 20 0 BCADHM CC(C)n1ncnc1C[N-]C(=O)C(F)F ZINC000816467711 586735068 /nfs/dbraw/zinc/73/50/68/586735068.db2.gz JRQZKKKTESDOOT-UHFFFAOYSA-N -1 3 218.207 0.740 20 0 BCADHM COC(=O)c1ccc(C[N-]C(=O)C(F)F)nc1 ZINC000816500720 586736820 /nfs/dbraw/zinc/73/68/20/586736820.db2.gz FACAXLAUJCBUHU-UHFFFAOYSA-N -1 3 244.197 0.750 20 0 BCADHM C[C@@H]1OCC[C@@H]1C(=O)[N-]OC1CCN(C)CC1 ZINC000816533609 586739075 /nfs/dbraw/zinc/73/90/75/586739075.db2.gz DBGJCYNQNIFAJG-ONGXEEELSA-N -1 3 242.319 0.553 20 0 BCADHM C[C@H]1OCC[C@@H]1C(=O)[N-]OC1CCN(C)CC1 ZINC000816533607 586739155 /nfs/dbraw/zinc/73/91/55/586739155.db2.gz DBGJCYNQNIFAJG-KOLCDFICSA-N -1 3 242.319 0.553 20 0 BCADHM CC1(C)COC(=O)[C@@H]1[N-]C(=O)C(F)F ZINC000816585687 586742840 /nfs/dbraw/zinc/74/28/40/586742840.db2.gz PHOFYHZFSPFYOB-BYPYZUCNSA-N -1 3 207.176 0.319 20 0 BCADHM CC1(C)C[C@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000816655587 586753210 /nfs/dbraw/zinc/75/32/10/586753210.db2.gz KJONOEUMSFZUSC-YFKPBYRVSA-N -1 3 220.236 0.437 20 0 BCADHM Cc1ccc(C(=O)N[C@@H]2COC(=O)C2)c([O-])c1 ZINC000816679122 586754752 /nfs/dbraw/zinc/75/47/52/586754752.db2.gz IKYBOOPWZJYIPB-QMMMGPOBSA-N -1 3 235.239 0.746 20 0 BCADHM CCn1ncn(NC(=O)c2ccccc2[O-])c1=O ZINC000816734967 586761158 /nfs/dbraw/zinc/76/11/58/586761158.db2.gz MJFYMBIAYIHWRC-UHFFFAOYSA-N -1 3 248.242 0.154 20 0 BCADHM CC(F)(F)C(=O)[N-][C@@]1(C)CCOC1=O ZINC000816778997 586763470 /nfs/dbraw/zinc/76/34/70/586763470.db2.gz QTNFNTZTFFYIPT-ZETCQYMHSA-N -1 3 207.176 0.463 20 0 BCADHM COCC[C@@H]([N-]C(=O)C(C)(F)F)C(=O)OC ZINC000816779278 586763487 /nfs/dbraw/zinc/76/34/87/586763487.db2.gz AUGXOKVIBHQYLR-ZCFIWIBFSA-N -1 3 239.218 0.336 20 0 BCADHM CO[N-]C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC000816846273 586768659 /nfs/dbraw/zinc/76/86/59/586768659.db2.gz VEPCPRFTFUPNRU-QMMMGPOBSA-N -1 3 209.249 0.432 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000816913964 586771215 /nfs/dbraw/zinc/77/12/15/586771215.db2.gz YTYGNNVHDFHDNJ-PWSUYJOCSA-N -1 3 242.319 0.903 20 0 BCADHM CCNC(=O)CCC(=O)[N-]OC[C@@H](C)CC ZINC000816979227 586777352 /nfs/dbraw/zinc/77/73/52/586777352.db2.gz KMQCJXRDIFUKOW-VIFPVBQESA-N -1 3 230.308 0.997 20 0 BCADHM CCn1cc(CC(=O)[N-]OCC2CC2)cn1 ZINC000817330851 586795949 /nfs/dbraw/zinc/79/59/49/586795949.db2.gz RKQVWXKSWIJHNW-UHFFFAOYSA-N -1 3 223.276 0.903 20 0 BCADHM CN(C)C(=O)CCCC(=O)[N-]OCC1CC1 ZINC000817334667 586796924 /nfs/dbraw/zinc/79/69/24/586796924.db2.gz OGCQJPJREXDKNH-UHFFFAOYSA-N -1 3 228.292 0.703 20 0 BCADHM CN(CC(=O)[N-]OCC1CC1)[C@H]1CCSC1 ZINC000817344884 586797679 /nfs/dbraw/zinc/79/76/79/586797679.db2.gz YHQKOPYEZHUKJE-JTQLQIEISA-N -1 3 244.360 0.882 20 0 BCADHM O=C([N-]OCC1CC1)[C@H]1CCc2nccn2C1 ZINC000817349750 586798527 /nfs/dbraw/zinc/79/85/27/586798527.db2.gz GTSAHQIUNGTWMW-JTQLQIEISA-N -1 3 235.287 0.903 20 0 BCADHM O=C(Cc1cncnc1)[N-]OCCC1CC1 ZINC000817426112 586804423 /nfs/dbraw/zinc/80/44/23/586804423.db2.gz SHCZXOCPQPNGEQ-UHFFFAOYSA-N -1 3 221.260 0.867 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1CC12CC2 ZINC000817609939 586813636 /nfs/dbraw/zinc/81/36/36/586813636.db2.gz AXBNSUOJZBTJIT-BDAKNGLRSA-N -1 3 213.277 0.851 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000817918785 586840842 /nfs/dbraw/zinc/84/08/42/586840842.db2.gz XWQAPTDQCIZSRI-ZCFIWIBFSA-N -1 3 238.243 0.266 20 0 BCADHM CCC[C@H](O)CNC(=O)c1ccc(N)cc1[O-] ZINC000817934816 586843304 /nfs/dbraw/zinc/84/33/04/586843304.db2.gz DARLIONCZAHLHN-VIFPVBQESA-N -1 3 238.287 0.865 20 0 BCADHM COCC1(NC(=O)c2ccc(N)cc2[O-])CC1 ZINC000817953150 586848696 /nfs/dbraw/zinc/84/86/96/586848696.db2.gz NTOBKPJUXNSLHE-UHFFFAOYSA-N -1 3 236.271 0.883 20 0 BCADHM C[C@H](N[C@H]1CCCn2ncnc21)C(=O)[O-] ZINC000818046307 586866491 /nfs/dbraw/zinc/86/64/91/586866491.db2.gz RLOXKIFOJCCZIA-BQBZGAKWSA-N -1 3 210.237 0.176 20 0 BCADHM CC[C@@H](C(=O)N(C)CCC(=O)[O-])N(C)C ZINC000818132096 586872330 /nfs/dbraw/zinc/87/23/30/586872330.db2.gz AQFZVAOFVMKSSD-QMMMGPOBSA-N -1 3 216.281 0.260 20 0 BCADHM CC[C@@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])N(C)C ZINC000818132242 586876390 /nfs/dbraw/zinc/87/63/90/586876390.db2.gz MTOAGRFBDLDRSG-ZJUUUORDSA-N -1 3 244.335 0.942 20 0 BCADHM CC[C@H](C(=O)NCCCC(=O)[O-])N(C)C ZINC000818132308 586876659 /nfs/dbraw/zinc/87/66/59/586876659.db2.gz QHHATCDWAFSFPV-MRVPVSSYSA-N -1 3 216.281 0.308 20 0 BCADHM CCOCCO[N-]C(=O)/C=C/[C@@H]1CCCO1 ZINC000819502670 586971162 /nfs/dbraw/zinc/97/11/62/586971162.db2.gz XHOWPYKNCYSOFT-PORFMDCZSA-N -1 3 229.276 0.806 20 0 BCADHM CC(=O)N1CCN(CCCC(=O)[O-])C(C)(C)C1 ZINC000819737270 586989796 /nfs/dbraw/zinc/98/97/96/586989796.db2.gz MRQSIJJCKOTJOJ-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM CCOCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819761092 586990139 /nfs/dbraw/zinc/99/01/39/586990139.db2.gz WMWOLBABEGXUOM-LURJTMIESA-N -1 3 202.279 0.630 20 0 BCADHM CCC(=O)N[C@@H](C)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819763234 586990890 /nfs/dbraw/zinc/99/08/90/586990890.db2.gz BNRPIKWJVQLUEI-RQJHMYQMSA-N -1 3 243.332 0.509 20 0 BCADHM CCC(=O)N[C@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819763230 586991064 /nfs/dbraw/zinc/99/10/64/586991064.db2.gz BNRPIKWJVQLUEI-NKWVEPMBSA-N -1 3 243.332 0.509 20 0 BCADHM COCCOCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819775321 586992274 /nfs/dbraw/zinc/99/22/74/586992274.db2.gz ZLYNZAQXEHYQRU-ZETCQYMHSA-N -1 3 232.305 0.257 20 0 BCADHM COCCCOCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819776509 586992333 /nfs/dbraw/zinc/99/23/33/586992333.db2.gz ORADVRHMYCHKKT-QMMMGPOBSA-N -1 3 246.332 0.647 20 0 BCADHM CC(=O)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819781632 586994294 /nfs/dbraw/zinc/99/42/94/586994294.db2.gz BFLQQIQXWFRSEG-LURJTMIESA-N -1 3 249.230 0.329 20 0 BCADHM CC(=O)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819781632 586994295 /nfs/dbraw/zinc/99/42/95/586994295.db2.gz BFLQQIQXWFRSEG-LURJTMIESA-N -1 3 249.230 0.329 20 0 BCADHM C[C@H](C(=O)[O-])N(C)Cc1cnc(N(C)C)nc1 ZINC000819895797 587001620 /nfs/dbraw/zinc/00/16/20/587001620.db2.gz PJFUJJQGWXIDAU-MRVPVSSYSA-N -1 3 238.291 0.448 20 0 BCADHM CC(C)N(CC(=O)[O-])C(=S)NCCN(C)C ZINC000820009651 587013069 /nfs/dbraw/zinc/01/30/69/587013069.db2.gz VZNAANCNKXSZQK-UHFFFAOYSA-N -1 3 247.364 0.218 20 0 BCADHM C[C@@H](CC(=O)[O-])N[C@@H]1CCCn2ncnc21 ZINC000820079071 587019547 /nfs/dbraw/zinc/01/95/47/587019547.db2.gz RMIUSISGOZUPQO-JGVFFNPUSA-N -1 3 224.264 0.566 20 0 BCADHM C[C@H](CC(=O)[O-])NCc1ccnc(N(C)C)n1 ZINC000820089852 587020463 /nfs/dbraw/zinc/02/04/63/587020463.db2.gz WLSGTXRFGQXQOQ-MRVPVSSYSA-N -1 3 238.291 0.495 20 0 BCADHM C[C@H]1CN(CC(=O)NCC(=O)[O-])CC(C)(C)C1 ZINC000820246423 587038156 /nfs/dbraw/zinc/03/81/56/587038156.db2.gz XHUSBUHIRXUECJ-SECBINFHSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@H](CCO)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000820248509 587038445 /nfs/dbraw/zinc/03/84/45/587038445.db2.gz IYTLMFAZSOLGLM-MRVPVSSYSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@H](CCO)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000820248509 587038448 /nfs/dbraw/zinc/03/84/48/587038448.db2.gz IYTLMFAZSOLGLM-MRVPVSSYSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820288807 587041415 /nfs/dbraw/zinc/04/14/15/587041415.db2.gz YFUHCHJGVRDSGN-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM C[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820288807 587041416 /nfs/dbraw/zinc/04/14/16/587041416.db2.gz YFUHCHJGVRDSGN-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM C[C@H](O)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC000820474941 587050727 /nfs/dbraw/zinc/05/07/27/587050727.db2.gz WNYDWQSKMDHQQG-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](O)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC000820474941 587050728 /nfs/dbraw/zinc/05/07/28/587050728.db2.gz WNYDWQSKMDHQQG-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](O)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000820480732 587050802 /nfs/dbraw/zinc/05/08/02/587050802.db2.gz NNKVLXXVVBHVBL-LURJTMIESA-N -1 3 237.238 0.799 20 0 BCADHM C[C@H](O)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000820480732 587050803 /nfs/dbraw/zinc/05/08/03/587050803.db2.gz NNKVLXXVVBHVBL-LURJTMIESA-N -1 3 237.238 0.799 20 0 BCADHM CCc1nc([C@H](C)N[C@@H](C)CC(=O)[O-])n[nH]1 ZINC000820492926 587051461 /nfs/dbraw/zinc/05/14/61/587051461.db2.gz VDCCSJCXHGCTJP-BQBZGAKWSA-N -1 3 226.280 0.881 20 0 BCADHM CCc1nnc([C@H](C)N[C@@H](C)CC(=O)[O-])[nH]1 ZINC000820492926 587051462 /nfs/dbraw/zinc/05/14/62/587051462.db2.gz VDCCSJCXHGCTJP-BQBZGAKWSA-N -1 3 226.280 0.881 20 0 BCADHM CCc1nnc([C@H](C)[NH2+][C@@H](C)CC(=O)[O-])[n-]1 ZINC000820492926 587051463 /nfs/dbraw/zinc/05/14/63/587051463.db2.gz VDCCSJCXHGCTJP-BQBZGAKWSA-N -1 3 226.280 0.881 20 0 BCADHM CC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000820658494 587063437 /nfs/dbraw/zinc/06/34/37/587063437.db2.gz SIOOBCWKKMSCOL-UHFFFAOYSA-N -1 3 246.274 0.723 20 0 BCADHM CC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000820658494 587063439 /nfs/dbraw/zinc/06/34/39/587063439.db2.gz SIOOBCWKKMSCOL-UHFFFAOYSA-N -1 3 246.274 0.723 20 0 BCADHM COC(=O)c1cc(CN(C)CC(=O)[O-])c[nH]1 ZINC000820677725 587065670 /nfs/dbraw/zinc/06/56/70/587065670.db2.gz OFECSGAIGALNMJ-UHFFFAOYSA-N -1 3 226.232 0.318 20 0 BCADHM CO[C@H](C)C(=O)OC[C@@H]1CCCN1CC(=O)[O-] ZINC000820696344 587066634 /nfs/dbraw/zinc/06/66/34/587066634.db2.gz CYESESJYZYACPH-BDAKNGLRSA-N -1 3 245.275 0.114 20 0 BCADHM CO[C@@H]1CC[C@H]2OCCN(CC(=O)[O-])[C@H]2C1 ZINC000820703206 587067646 /nfs/dbraw/zinc/06/76/46/587067646.db2.gz RQRVWWCXYOEYRE-KXUCPTDWSA-N -1 3 229.276 0.339 20 0 BCADHM CCON1CCC(CC(=O)[N-]OC)CC1 ZINC000820844422 587076719 /nfs/dbraw/zinc/07/67/19/587076719.db2.gz GPAYRAUGJLFDLW-UHFFFAOYSA-N -1 3 216.281 0.718 20 0 BCADHM C[C@@](CO)(NC(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000860163831 589084371 /nfs/dbraw/zinc/08/43/71/589084371.db2.gz AMWDCENQUQQNHJ-NSHDSACASA-N -1 3 237.259 0.073 20 0 BCADHM Cc1cc(CN[C@H](C)CC(=O)[O-])ncn1 ZINC000820976887 587085553 /nfs/dbraw/zinc/08/55/53/587085553.db2.gz UZMUHOAVIQSGTQ-MRVPVSSYSA-N -1 3 209.249 0.738 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@]1(C)C=CCC1 ZINC000820996076 587086696 /nfs/dbraw/zinc/08/66/96/587086696.db2.gz CMGSEUDJIALJFY-LLVKDONJSA-N -1 3 212.293 0.952 20 0 BCADHM CCC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000821028073 587089329 /nfs/dbraw/zinc/08/93/29/587089329.db2.gz SSVCIKAWZVTCOS-SECBINFHSA-N -1 3 248.290 0.835 20 0 BCADHM CCC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000821028073 587089331 /nfs/dbraw/zinc/08/93/31/587089331.db2.gz SSVCIKAWZVTCOS-SECBINFHSA-N -1 3 248.290 0.835 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1C(=O)[N-]OC(C)C ZINC000821214807 587101924 /nfs/dbraw/zinc/10/19/24/587101924.db2.gz UKJZPBYSLAAPFU-HTQZYQBOSA-N -1 3 215.249 0.642 20 0 BCADHM CCOCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000821383333 587114818 /nfs/dbraw/zinc/11/48/18/587114818.db2.gz DFCAPFXVDPEMGO-UHFFFAOYSA-N -1 3 234.263 0.710 20 0 BCADHM CCOCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000821383333 587114820 /nfs/dbraw/zinc/11/48/20/587114820.db2.gz DFCAPFXVDPEMGO-UHFFFAOYSA-N -1 3 234.263 0.710 20 0 BCADHM O=C([O-])CCCN1CCN([C@H]2CCOC2)CC1 ZINC000821524123 587122044 /nfs/dbraw/zinc/12/20/44/587122044.db2.gz BBPPUZQYTGUPNI-NSHDSACASA-N -1 3 242.319 0.258 20 0 BCADHM O=C([O-])CCCN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000821524269 587125051 /nfs/dbraw/zinc/12/50/51/587125051.db2.gz ZWVASNNHZOZGLB-QWRGUYRKSA-N -1 3 243.303 0.731 20 0 BCADHM O=C([O-])CCCN1CCOC2(CCOCC2)C1 ZINC000821524186 587125064 /nfs/dbraw/zinc/12/50/64/587125064.db2.gz MUMCFASCQPHDTF-UHFFFAOYSA-N -1 3 243.303 0.733 20 0 BCADHM O=C([N-]c1nnnn1C1CC1)[C@H]1CCCCO1 ZINC000821667671 587134149 /nfs/dbraw/zinc/13/41/49/587134149.db2.gz VPMSQFZHTMNCOJ-MRVPVSSYSA-N -1 3 237.263 0.516 20 0 BCADHM COCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821680907 587134965 /nfs/dbraw/zinc/13/49/65/587134965.db2.gz ZBWSLAQXDBVNDA-UHFFFAOYSA-N -1 3 233.231 0.452 20 0 BCADHM COCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821680907 587134967 /nfs/dbraw/zinc/13/49/67/587134967.db2.gz ZBWSLAQXDBVNDA-UHFFFAOYSA-N -1 3 233.231 0.452 20 0 BCADHM CSCCNCc1ccc(-c2nnn[n-]2)o1 ZINC000821971098 587148150 /nfs/dbraw/zinc/14/81/50/587148150.db2.gz XRINOKGLYNLNFF-UHFFFAOYSA-N -1 3 239.304 0.912 20 0 BCADHM CSCCNCc1ccc(-c2nn[n-]n2)o1 ZINC000821971098 587148151 /nfs/dbraw/zinc/14/81/51/587148151.db2.gz XRINOKGLYNLNFF-UHFFFAOYSA-N -1 3 239.304 0.912 20 0 BCADHM O=C(CN1CCCC1)[N-]OC1CCOCC1 ZINC000822055650 587150769 /nfs/dbraw/zinc/15/07/69/587150769.db2.gz PRDAILLUSBSLGU-UHFFFAOYSA-N -1 3 228.292 0.309 20 0 BCADHM COC(=O)CCCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000822481545 587170892 /nfs/dbraw/zinc/17/08/92/587170892.db2.gz RISFZLCNAOOGLU-SSDOTTSWSA-N -1 3 244.316 0.937 20 0 BCADHM Cc1nn(CC(C)C)c(N)c1-c1nnn[n-]1 ZINC000822500723 587172216 /nfs/dbraw/zinc/17/22/16/587172216.db2.gz DEHSVFUDEIGLCF-UHFFFAOYSA-N -1 3 221.268 0.610 20 0 BCADHM Cc1nn(CC(C)C)c(N)c1-c1nn[n-]n1 ZINC000822500723 587172217 /nfs/dbraw/zinc/17/22/17/587172217.db2.gz DEHSVFUDEIGLCF-UHFFFAOYSA-N -1 3 221.268 0.610 20 0 BCADHM Cc1nn(CC2CC2)c(N)c1-c1nnn[n-]1 ZINC000822501007 587172446 /nfs/dbraw/zinc/17/24/46/587172446.db2.gz QQEXDFGFZBVZLC-UHFFFAOYSA-N -1 3 219.252 0.364 20 0 BCADHM Cc1nn(CC2CC2)c(N)c1-c1nn[n-]n1 ZINC000822501007 587172447 /nfs/dbraw/zinc/17/24/47/587172447.db2.gz QQEXDFGFZBVZLC-UHFFFAOYSA-N -1 3 219.252 0.364 20 0 BCADHM Cc1noc(-c2cc(-c3nnn[n-]3)cn2C)n1 ZINC000822519794 587172797 /nfs/dbraw/zinc/17/27/97/587172797.db2.gz MBQOCFOBDMQARP-UHFFFAOYSA-N -1 3 231.219 0.564 20 0 BCADHM Cc1noc(-c2cc(-c3nn[n-]n3)cn2C)n1 ZINC000822519794 587172798 /nfs/dbraw/zinc/17/27/98/587172798.db2.gz MBQOCFOBDMQARP-UHFFFAOYSA-N -1 3 231.219 0.564 20 0 BCADHM NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822880263 587191148 /nfs/dbraw/zinc/19/11/48/587191148.db2.gz MCSVEFPIRITSMG-UHFFFAOYSA-N -1 3 222.183 0.496 20 0 BCADHM NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822880263 587191150 /nfs/dbraw/zinc/19/11/50/587191150.db2.gz MCSVEFPIRITSMG-UHFFFAOYSA-N -1 3 222.183 0.496 20 0 BCADHM CC1(O)CC(C(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000822924841 587191711 /nfs/dbraw/zinc/19/17/11/587191711.db2.gz RAGFSHZFKWIKQM-YUCVTWSNSA-N -1 3 229.276 0.722 20 0 BCADHM C[C@H](C(=O)[N-]OC/C=C/Cl)N(C)C ZINC000823045955 587199518 /nfs/dbraw/zinc/19/95/18/587199518.db2.gz FUKNWBOCYWJSQX-SMMXGFFBSA-N -1 3 206.673 0.737 20 0 BCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC1CC1 ZINC000823093398 587202388 /nfs/dbraw/zinc/20/23/88/587202388.db2.gz XDUSDFJJBRDSED-UHFFFAOYSA-N -1 3 243.270 0.688 20 0 BCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC1CC1 ZINC000823093398 587202389 /nfs/dbraw/zinc/20/23/89/587202389.db2.gz XDUSDFJJBRDSED-UHFFFAOYSA-N -1 3 243.270 0.688 20 0 BCADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OC1CCC1 ZINC000823302733 587214753 /nfs/dbraw/zinc/21/47/53/587214753.db2.gz QRCIGJORKPKMGP-DTWKUNHWSA-N -1 3 227.260 0.786 20 0 BCADHM CC[C@](C)(O)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000823304896 587215598 /nfs/dbraw/zinc/21/55/98/587215598.db2.gz AWARTQURXWSMOR-RCOVLWMOSA-N -1 3 216.306 0.755 20 0 BCADHM CC(=O)CCN1CCC[C@@H]1CNC(=O)[O-] ZINC000823533276 587229990 /nfs/dbraw/zinc/22/99/90/587229990.db2.gz QQRGMHIKBCGPOO-SECBINFHSA-N -1 3 214.265 0.698 20 0 BCADHM CC(=O)NCCCN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000823580317 587231862 /nfs/dbraw/zinc/23/18/62/587231862.db2.gz RNMYOGZZENWVBN-SNVBAGLBSA-N -1 3 243.307 0.197 20 0 BCADHM CC(=O)NCCN(C)CC(C)(C)CNC(=O)[O-] ZINC000823579403 587231958 /nfs/dbraw/zinc/23/19/58/587231958.db2.gz HMWJTMZENFQOEQ-UHFFFAOYSA-N -1 3 245.323 0.348 20 0 BCADHM O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000823707096 587237274 /nfs/dbraw/zinc/23/72/74/587237274.db2.gz WPUBCWNBOKTCDC-VIFPVBQESA-N -1 3 246.274 0.223 20 0 BCADHM O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000823707096 587237276 /nfs/dbraw/zinc/23/72/76/587237276.db2.gz WPUBCWNBOKTCDC-VIFPVBQESA-N -1 3 246.274 0.223 20 0 BCADHM OCC1(Nc2ncccc2-c2nnn[n-]2)CCC1 ZINC000823713727 587237627 /nfs/dbraw/zinc/23/76/27/587237627.db2.gz JAQPDENUZWHVPK-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM OCC1(Nc2ncccc2-c2nn[n-]n2)CCC1 ZINC000823713727 587237628 /nfs/dbraw/zinc/23/76/28/587237628.db2.gz JAQPDENUZWHVPK-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM OCCSc1cccc(-c2nnn[n-]2)c1 ZINC000823722595 587238059 /nfs/dbraw/zinc/23/80/59/587238059.db2.gz SIFSLIWKZMHKII-UHFFFAOYSA-N -1 3 222.273 0.951 20 0 BCADHM OCCSc1cccc(-c2nn[n-]n2)c1 ZINC000823722595 587238061 /nfs/dbraw/zinc/23/80/61/587238061.db2.gz SIFSLIWKZMHKII-UHFFFAOYSA-N -1 3 222.273 0.951 20 0 BCADHM O[C@@H]1CCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000823726629 587238161 /nfs/dbraw/zinc/23/81/61/587238161.db2.gz FKYKVBSYVZOHPT-MRVPVSSYSA-N -1 3 249.249 0.577 20 0 BCADHM O[C@@H]1CCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000823726629 587238162 /nfs/dbraw/zinc/23/81/62/587238162.db2.gz FKYKVBSYVZOHPT-MRVPVSSYSA-N -1 3 249.249 0.577 20 0 BCADHM OCCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823722694 587238309 /nfs/dbraw/zinc/23/83/09/587238309.db2.gz XIUMDNLNDUBABY-UHFFFAOYSA-N -1 3 241.201 0.549 20 0 BCADHM OCCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823722694 587238310 /nfs/dbraw/zinc/23/83/10/587238310.db2.gz XIUMDNLNDUBABY-UHFFFAOYSA-N -1 3 241.201 0.549 20 0 BCADHM COC(OC)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000823806917 587241278 /nfs/dbraw/zinc/24/12/78/587241278.db2.gz KUMKENOYXSMSBM-RXMQYKEDSA-N -1 3 218.278 0.213 20 0 BCADHM CCn1ncc(C(=O)[N-]c2cnsn2)n1 ZINC000823853257 587243537 /nfs/dbraw/zinc/24/35/37/587243537.db2.gz FRFZARARWQWZMY-UHFFFAOYSA-N -1 3 224.249 0.402 20 0 BCADHM CC(C)(O)CCN1CCC[C@@H](NC(=O)[O-])C1 ZINC000824035082 587249827 /nfs/dbraw/zinc/24/98/27/587249827.db2.gz LPPCPDSHQLZPLM-SECBINFHSA-N -1 3 230.308 0.879 20 0 BCADHM CC(C)[C@@H](CNCc1cnnn1C)NC(=O)[O-] ZINC000824124702 587257121 /nfs/dbraw/zinc/25/71/21/587257121.db2.gz ZIDWANBYMPOZKZ-SECBINFHSA-N -1 3 241.295 0.197 20 0 BCADHM CC(C)OC[C@@H](O)CN(C)[C@H](C)CNC(=O)[O-] ZINC000824394971 587267616 /nfs/dbraw/zinc/26/76/16/587267616.db2.gz ZJSCQISBDWCUGG-ZJUUUORDSA-N -1 3 248.323 0.360 20 0 BCADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC000824514142 587272719 /nfs/dbraw/zinc/27/27/19/587272719.db2.gz LSFOFQUFBLZHSX-LURJTMIESA-N -1 3 246.274 0.723 20 0 BCADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC000824514142 587272721 /nfs/dbraw/zinc/27/27/21/587272721.db2.gz LSFOFQUFBLZHSX-LURJTMIESA-N -1 3 246.274 0.723 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H]1CCCNC1=O ZINC000824783913 587287527 /nfs/dbraw/zinc/28/75/27/587287527.db2.gz ZRKUEYNJWACCNT-LURJTMIESA-N -1 3 220.219 0.427 20 0 BCADHM CSc1nnc(NC(=O)[C@@H]2CC(C)=NO2)[n-]1 ZINC000824782187 587287188 /nfs/dbraw/zinc/28/71/88/587287188.db2.gz GFEMUOJPSVNFFE-YFKPBYRVSA-N -1 3 241.276 0.630 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H]2CC(C)=NO2)n1 ZINC000824782187 587287189 /nfs/dbraw/zinc/28/71/89/587287189.db2.gz GFEMUOJPSVNFFE-YFKPBYRVSA-N -1 3 241.276 0.630 20 0 BCADHM CSc1nc(NC(=O)[C@@H]2CC(C)=NO2)n[n-]1 ZINC000824782187 587287191 /nfs/dbraw/zinc/28/71/91/587287191.db2.gz GFEMUOJPSVNFFE-YFKPBYRVSA-N -1 3 241.276 0.630 20 0 BCADHM C[C@@H](CN(C)C(=O)[O-])C(=O)N(C)CCN(C)C ZINC000824825683 587289145 /nfs/dbraw/zinc/28/91/45/587289145.db2.gz UPHSRZSWWXACMJ-VIFPVBQESA-N -1 3 245.323 0.252 20 0 BCADHM C[C@@]1(NCc2ccc(-c3nnn[n-]3)o2)CCOC1 ZINC000824839103 587289622 /nfs/dbraw/zinc/28/96/22/587289622.db2.gz YSVSRXDQCWWCNO-LLVKDONJSA-N -1 3 249.274 0.728 20 0 BCADHM C[C@@]1(NCc2ccc(-c3nn[n-]n3)o2)CCOC1 ZINC000824839103 587289623 /nfs/dbraw/zinc/28/96/23/587289623.db2.gz YSVSRXDQCWWCNO-LLVKDONJSA-N -1 3 249.274 0.728 20 0 BCADHM C[C@]1(Nc2ncccc2-c2nnn[n-]2)CCOC1 ZINC000824839047 587289643 /nfs/dbraw/zinc/28/96/43/587289643.db2.gz XRXBZYVNWDGYIF-NSHDSACASA-N -1 3 246.274 0.853 20 0 BCADHM C[C@]1(Nc2ncccc2-c2nn[n-]n2)CCOC1 ZINC000824839047 587289645 /nfs/dbraw/zinc/28/96/45/587289645.db2.gz XRXBZYVNWDGYIF-NSHDSACASA-N -1 3 246.274 0.853 20 0 BCADHM C[C@]1(O)CCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000824843886 587289873 /nfs/dbraw/zinc/28/98/73/587289873.db2.gz LRWGDIFRCCSQGM-NSHDSACASA-N -1 3 246.274 0.223 20 0 BCADHM C[C@]1(O)CCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000824843886 587289874 /nfs/dbraw/zinc/28/98/74/587289874.db2.gz LRWGDIFRCCSQGM-NSHDSACASA-N -1 3 246.274 0.223 20 0 BCADHM C[C@H](CN(C)C(=O)[O-])C(=O)NC[C@@H](C)N(C)C ZINC000824854109 587290473 /nfs/dbraw/zinc/29/04/73/587290473.db2.gz HBLFCAMDVKRRCR-RKDXNWHRSA-N -1 3 245.323 0.299 20 0 BCADHM O=C([N-]N1CCOC1=O)C1(Br)CC1 ZINC000824889781 587291875 /nfs/dbraw/zinc/29/18/75/587291875.db2.gz KLYOQMDOOBXNRN-UHFFFAOYSA-N -1 3 249.064 0.397 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824899756 587292339 /nfs/dbraw/zinc/29/23/39/587292339.db2.gz NYGAZKIISCMRRP-SVGQVSJJSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824899756 587292340 /nfs/dbraw/zinc/29/23/40/587292340.db2.gz NYGAZKIISCMRRP-SVGQVSJJSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@](CNC(=O)[O-])(NCc1cn[nH]c1)C1CC1 ZINC000824953457 587294524 /nfs/dbraw/zinc/29/45/24/587294524.db2.gz WEZUZBCYSLTFSM-LLVKDONJSA-N -1 3 238.291 0.936 20 0 BCADHM C[C@@H](CNC(=O)[O-])N(C)CCC1OCCCO1 ZINC000824966397 587295529 /nfs/dbraw/zinc/29/55/29/587295529.db2.gz FRSICDSNNWXHRQ-VIFPVBQESA-N -1 3 246.307 0.727 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC000824991579 587297603 /nfs/dbraw/zinc/29/76/03/587297603.db2.gz CJTCMCISOHNFQP-OIBJUYFYSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC000824991579 587297604 /nfs/dbraw/zinc/29/76/04/587297604.db2.gz CJTCMCISOHNFQP-OIBJUYFYSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2cnccc2-c2nnn[n-]2)C[C@H]1O ZINC000824999408 587297933 /nfs/dbraw/zinc/29/79/33/587297933.db2.gz GZWUAFBVYHMPPL-OIBJUYFYSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2cnccc2-c2nn[n-]n2)C[C@H]1O ZINC000824999408 587297935 /nfs/dbraw/zinc/29/79/35/587297935.db2.gz GZWUAFBVYHMPPL-OIBJUYFYSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1CN(c2cnccc2-c2nnn[n-]2)CCO1 ZINC000825000545 587298381 /nfs/dbraw/zinc/29/83/81/587298381.db2.gz SASVABRIGXSSBE-MRVPVSSYSA-N -1 3 246.274 0.487 20 0 BCADHM C[C@@H]1CN(c2cnccc2-c2nn[n-]n2)CCO1 ZINC000825000545 587298382 /nfs/dbraw/zinc/29/83/82/587298382.db2.gz SASVABRIGXSSBE-MRVPVSSYSA-N -1 3 246.274 0.487 20 0 BCADHM C[C@H]1OCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000825021061 587298874 /nfs/dbraw/zinc/29/88/74/587298874.db2.gz OLXAYPROEJYZJX-APPZFPTMSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@H]1OCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000825021061 587298876 /nfs/dbraw/zinc/29/88/76/587298876.db2.gz OLXAYPROEJYZJX-APPZFPTMSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@@H]1OCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000825021062 587299060 /nfs/dbraw/zinc/29/90/60/587299060.db2.gz OLXAYPROEJYZJX-CBAPKCEASA-N -1 3 246.274 0.851 20 0 BCADHM C[C@@H]1OCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000825021062 587299061 /nfs/dbraw/zinc/29/90/61/587299061.db2.gz OLXAYPROEJYZJX-CBAPKCEASA-N -1 3 246.274 0.851 20 0 BCADHM C[C@H]1OCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000825021064 587299195 /nfs/dbraw/zinc/29/91/95/587299195.db2.gz OLXAYPROEJYZJX-VXNVDRBHSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@H]1OCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000825021064 587299196 /nfs/dbraw/zinc/29/91/96/587299196.db2.gz OLXAYPROEJYZJX-VXNVDRBHSA-N -1 3 246.274 0.851 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C(F)(F)F)C2 ZINC000825034717 587299681 /nfs/dbraw/zinc/29/96/81/587299681.db2.gz ONDLCEKRRADDSQ-UHFFFAOYSA-N -1 3 247.176 0.895 20 0 BCADHM CC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825068790 587302179 /nfs/dbraw/zinc/30/21/79/587302179.db2.gz WSCLDEOZTOFHDY-ZCFIWIBFSA-N -1 3 234.263 0.723 20 0 BCADHM CC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825068790 587302181 /nfs/dbraw/zinc/30/21/81/587302181.db2.gz WSCLDEOZTOFHDY-ZCFIWIBFSA-N -1 3 234.263 0.723 20 0 BCADHM CC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825068788 587302231 /nfs/dbraw/zinc/30/22/31/587302231.db2.gz WSCLDEOZTOFHDY-LURJTMIESA-N -1 3 234.263 0.723 20 0 BCADHM CC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825068788 587302232 /nfs/dbraw/zinc/30/22/32/587302232.db2.gz WSCLDEOZTOFHDY-LURJTMIESA-N -1 3 234.263 0.723 20 0 BCADHM CCNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825476217 587320141 /nfs/dbraw/zinc/32/01/41/587320141.db2.gz CHSKPJWAFRBNMN-UHFFFAOYSA-N -1 3 231.259 0.925 20 0 BCADHM CCNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825476217 587320142 /nfs/dbraw/zinc/32/01/42/587320142.db2.gz CHSKPJWAFRBNMN-UHFFFAOYSA-N -1 3 231.259 0.925 20 0 BCADHM C[C@H](NCCCNC(=O)[O-])c1cnccn1 ZINC000825495260 587321633 /nfs/dbraw/zinc/32/16/33/587321633.db2.gz COQLWAVIINXVMC-QMMMGPOBSA-N -1 3 224.264 0.785 20 0 BCADHM CCON=C([O-])Nc1ccnc(COC)n1 ZINC000825497098 587322253 /nfs/dbraw/zinc/32/22/53/587322253.db2.gz CBYYHUCESMCZHB-UHFFFAOYSA-N -1 3 226.236 0.696 20 0 BCADHM CCO[N-]C(=O)Nc1ccnc(COC)n1 ZINC000825497098 587322255 /nfs/dbraw/zinc/32/22/55/587322255.db2.gz CBYYHUCESMCZHB-UHFFFAOYSA-N -1 3 226.236 0.696 20 0 BCADHM C[C@H](O)[C@@H]1CCCCN1CCNC(=O)[O-] ZINC000825516096 587322568 /nfs/dbraw/zinc/32/25/68/587322568.db2.gz SHQJNMKBIVSYBC-IUCAKERBSA-N -1 3 216.281 0.489 20 0 BCADHM C/C(=C/CN1CCC[C@@H]1C(=O)N(C)C)C(=O)[O-] ZINC000825742100 587335693 /nfs/dbraw/zinc/33/56/93/587335693.db2.gz VZCMGGQSXBRIKV-ABRRARGCSA-N -1 3 240.303 0.570 20 0 BCADHM C/C(=C\CN1CCN(C[C@H](C)O)CC1)C(=O)[O-] ZINC000825741623 587335951 /nfs/dbraw/zinc/33/59/51/587335951.db2.gz QQQKCSNPWHWDOF-LFJXOHPOSA-N -1 3 242.319 0.016 20 0 BCADHM CCc1noc(-c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC000825770887 587338344 /nfs/dbraw/zinc/33/83/44/587338344.db2.gz FPNLSGKZRKHBSA-UHFFFAOYSA-N -1 3 231.219 0.807 20 0 BCADHM CCc1noc(-c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC000825770887 587338346 /nfs/dbraw/zinc/33/83/46/587338346.db2.gz FPNLSGKZRKHBSA-UHFFFAOYSA-N -1 3 231.219 0.807 20 0 BCADHM CN(C(=O)Cn1ccc(-c2nnn[n-]2)c1)C1CC1 ZINC000825820660 587340870 /nfs/dbraw/zinc/34/08/70/587340870.db2.gz OCBOLIWLWRIGFL-UHFFFAOYSA-N -1 3 246.274 0.289 20 0 BCADHM CN(C(=O)Cn1ccc(-c2nn[n-]n2)c1)C1CC1 ZINC000825820660 587340871 /nfs/dbraw/zinc/34/08/71/587340871.db2.gz OCBOLIWLWRIGFL-UHFFFAOYSA-N -1 3 246.274 0.289 20 0 BCADHM C[C@@H](C(=O)[O-])[C@H](NCC(N)=O)c1ccccc1 ZINC000826055352 587349650 /nfs/dbraw/zinc/34/96/50/587349650.db2.gz ZFTKLVVYGAKBLR-KCJUWKMLSA-N -1 3 236.271 0.523 20 0 BCADHM C[C@@H](C(=O)[O-])[C@@H](NCC(N)=O)c1ccccc1 ZINC000826055354 587349969 /nfs/dbraw/zinc/34/99/69/587349969.db2.gz ZFTKLVVYGAKBLR-LDYMZIIASA-N -1 3 236.271 0.523 20 0 BCADHM C[C@@H]1CN2CCCC[C@@H]2CN1CCNC(=O)[O-] ZINC000826088508 587350500 /nfs/dbraw/zinc/35/05/00/587350500.db2.gz YINBFGAZDQBFSX-GHMZBOCLSA-N -1 3 241.335 0.813 20 0 BCADHM CON(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826166493 587351555 /nfs/dbraw/zinc/35/15/55/587351555.db2.gz NNVUWBXONZQOFD-UHFFFAOYSA-N -1 3 248.246 0.892 20 0 BCADHM CON(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826166493 587351556 /nfs/dbraw/zinc/35/15/56/587351556.db2.gz NNVUWBXONZQOFD-UHFFFAOYSA-N -1 3 248.246 0.892 20 0 BCADHM COc1ccc(CNC(N)=O)cc1-c1nnn[n-]1 ZINC000826202410 587351607 /nfs/dbraw/zinc/35/16/07/587351607.db2.gz ZHAYVACGAGAXNS-UHFFFAOYSA-N -1 3 248.246 0.044 20 0 BCADHM COc1ccc(CNC(N)=O)cc1-c1nn[n-]n1 ZINC000826202410 587351608 /nfs/dbraw/zinc/35/16/08/587351608.db2.gz ZHAYVACGAGAXNS-UHFFFAOYSA-N -1 3 248.246 0.044 20 0 BCADHM COCCCNc1cnccc1-c1nnn[n-]1 ZINC000826156752 587351778 /nfs/dbraw/zinc/35/17/78/587351778.db2.gz RZMHEWCBDURNOG-UHFFFAOYSA-N -1 3 234.263 0.710 20 0 BCADHM COCCCNc1cnccc1-c1nn[n-]n1 ZINC000826156752 587351779 /nfs/dbraw/zinc/35/17/79/587351779.db2.gz RZMHEWCBDURNOG-UHFFFAOYSA-N -1 3 234.263 0.710 20 0 BCADHM CON(C)CCOc1ccccc1-c1nnn[n-]1 ZINC000826166393 587351811 /nfs/dbraw/zinc/35/18/11/587351811.db2.gz ITEGXAFLKCMYOE-UHFFFAOYSA-N -1 3 249.274 0.739 20 0 BCADHM CON(C)CCOc1ccccc1-c1nn[n-]n1 ZINC000826166393 587351812 /nfs/dbraw/zinc/35/18/12/587351812.db2.gz ITEGXAFLKCMYOE-UHFFFAOYSA-N -1 3 249.274 0.739 20 0 BCADHM Cc1cn(Cc2cn(C)nn2)cc1-c1nnn[n-]1 ZINC000826317115 587352417 /nfs/dbraw/zinc/35/24/17/587352417.db2.gz NLEKVUNSECVIJR-UHFFFAOYSA-N -1 3 244.262 0.153 20 0 BCADHM Cc1cn(Cc2cn(C)nn2)cc1-c1nn[n-]n1 ZINC000826317115 587352418 /nfs/dbraw/zinc/35/24/18/587352418.db2.gz NLEKVUNSECVIJR-UHFFFAOYSA-N -1 3 244.262 0.153 20 0 BCADHM O=C(OCCCF)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826463612 587352758 /nfs/dbraw/zinc/35/27/58/587352758.db2.gz MKVMUVJFXYWOLT-UHFFFAOYSA-N -1 3 239.210 0.711 20 0 BCADHM O=C(OCCCF)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826463612 587352759 /nfs/dbraw/zinc/35/27/59/587352759.db2.gz MKVMUVJFXYWOLT-UHFFFAOYSA-N -1 3 239.210 0.711 20 0 BCADHM O=C(O[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826463021 587353123 /nfs/dbraw/zinc/35/31/23/587353123.db2.gz PTDXQHFUHMTABE-LURJTMIESA-N -1 3 249.230 0.141 20 0 BCADHM c1cc(CNc2cnccc2-c2nnn[n-]2)no1 ZINC000826512713 587353399 /nfs/dbraw/zinc/35/33/99/587353399.db2.gz LGYULENWGCTKKM-UHFFFAOYSA-N -1 3 243.230 0.862 20 0 BCADHM c1cc(CNc2cnccc2-c2nn[n-]n2)no1 ZINC000826512713 587353400 /nfs/dbraw/zinc/35/34/00/587353400.db2.gz LGYULENWGCTKKM-UHFFFAOYSA-N -1 3 243.230 0.862 20 0 BCADHM c1cc(-c2nnn[n-]2)ncc1N[C@H]1CCOC1 ZINC000826514517 587353548 /nfs/dbraw/zinc/35/35/48/587353548.db2.gz ULPRYJMOAGMJQG-QMMMGPOBSA-N -1 3 232.247 0.463 20 0 BCADHM c1cc(-c2nn[n-]n2)ncc1N[C@H]1CCOC1 ZINC000826514517 587353549 /nfs/dbraw/zinc/35/35/49/587353549.db2.gz ULPRYJMOAGMJQG-QMMMGPOBSA-N -1 3 232.247 0.463 20 0 BCADHM c1cnc(N[C@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC000826525736 587354052 /nfs/dbraw/zinc/35/40/52/587354052.db2.gz XCQXXQPUXXXBNC-ZETCQYMHSA-N -1 3 232.247 0.463 20 0 BCADHM c1cnc(N[C@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC000826525736 587354053 /nfs/dbraw/zinc/35/40/53/587354053.db2.gz XCQXXQPUXXXBNC-ZETCQYMHSA-N -1 3 232.247 0.463 20 0 BCADHM CC[C@H](O)CN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000826625252 587356868 /nfs/dbraw/zinc/35/68/68/587356868.db2.gz CIBULSVYQHTGEM-IUCAKERBSA-N -1 3 216.281 0.441 20 0 BCADHM CCN1C[C@H](C)[C@H](NC(=O)CCNC(=O)[O-])C1 ZINC000827199252 587372503 /nfs/dbraw/zinc/37/25/03/587372503.db2.gz OLKLAQFWDYRWNU-DTWKUNHWSA-N -1 3 243.307 0.101 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N(C)CCN1CCCC1 ZINC000827241588 587373659 /nfs/dbraw/zinc/37/36/59/587373659.db2.gz XVYKPMHJTYIRDK-SNVBAGLBSA-N -1 3 242.319 0.651 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N(C)CCN(C)C ZINC000827241294 587373767 /nfs/dbraw/zinc/37/37/67/587373767.db2.gz VCSQOBOVDATJTR-MRVPVSSYSA-N -1 3 216.281 0.117 20 0 BCADHM CC(C)[C@H](CN(C)C)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000827271042 587374669 /nfs/dbraw/zinc/37/46/69/587374669.db2.gz FSCVOAXDKQZJFJ-UWVGGRQHSA-N -1 3 244.335 0.800 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)NCCN1CCCCC1 ZINC000827289740 587375396 /nfs/dbraw/zinc/37/53/96/587375396.db2.gz AKDUQRCFYVYNNM-SNVBAGLBSA-N -1 3 242.319 0.699 20 0 BCADHM CCOC[C@H](O)CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827388843 587379539 /nfs/dbraw/zinc/37/95/39/587379539.db2.gz PXNUOLLFTSETNW-NXEZZACHSA-N -1 3 246.307 0.068 20 0 BCADHM C[C@H](CNC(=O)C1(N(C)C)CCC1)C(=O)[O-] ZINC000827465977 587382002 /nfs/dbraw/zinc/38/20/02/587382002.db2.gz DTKQTSVCJKNIOO-MRVPVSSYSA-N -1 3 228.292 0.308 20 0 BCADHM CC[S@](=O)CCN[C@@H]1CCN(C(=O)[O-])C1 ZINC000827486932 587383032 /nfs/dbraw/zinc/38/30/32/587383032.db2.gz AKNKWZSOQJYKPY-GLEZIHRCSA-N -1 3 234.321 0.097 20 0 BCADHM CN(C)CCN(C)C(=O)[C@H]1CCCN1C(=O)[O-] ZINC000828031744 587416945 /nfs/dbraw/zinc/41/69/45/587416945.db2.gz SUTQYZOHOKLBJR-SECBINFHSA-N -1 3 243.307 0.149 20 0 BCADHM CN(C[C@@H]1CCCN(CCO)C1)C(=O)[O-] ZINC000828179827 587422719 /nfs/dbraw/zinc/42/27/19/587422719.db2.gz DOQPRNBWWBNBOR-VIFPVBQESA-N -1 3 216.281 0.301 20 0 BCADHM CN(CCCNCc1ccnn1C)C(=O)[O-] ZINC000828305768 587433563 /nfs/dbraw/zinc/43/35/63/587433563.db2.gz LIUBZEIGFVNRFG-UHFFFAOYSA-N -1 3 226.280 0.510 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H]1CCN(C)C1=O ZINC000828385810 587439442 /nfs/dbraw/zinc/43/94/42/587439442.db2.gz IFASTRYKKMXECN-ZCFIWIBFSA-N -1 3 220.219 0.379 20 0 BCADHM C[C@H]1CN(CC(=O)NCCC(=O)[O-])C[C@H]1C ZINC000828439145 587442447 /nfs/dbraw/zinc/44/24/47/587442447.db2.gz HHXFYZHFTVYMLP-DTORHVGOSA-N -1 3 228.292 0.165 20 0 BCADHM CC[C@@H](C(=O)N1CC[C@](F)(C(=O)[O-])C1)N(C)C ZINC000828586401 587451589 /nfs/dbraw/zinc/45/15/89/587451589.db2.gz FKWWEVFOENDKKX-GZMMTYOYSA-N -1 3 246.282 0.352 20 0 BCADHM CC[C@@H](C(=O)N1CC[C@@](F)(C(=O)[O-])C1)N(C)C ZINC000828586406 587451831 /nfs/dbraw/zinc/45/18/31/587451831.db2.gz FKWWEVFOENDKKX-KWQFWETISA-N -1 3 246.282 0.352 20 0 BCADHM CC[C@H](C(=O)NCCSCC(=O)[O-])N(C)C ZINC000828587187 587451891 /nfs/dbraw/zinc/45/18/91/587451891.db2.gz ONMVCTBKSJXQKB-MRVPVSSYSA-N -1 3 248.348 0.261 20 0 BCADHM CC[C@@H](C(=O)NC[C@@H](C)C(=O)[O-])N(C)C ZINC000828587561 587452155 /nfs/dbraw/zinc/45/21/55/587452155.db2.gz UHKQTWYCECXOSM-SFYZADRCSA-N -1 3 216.281 0.164 20 0 BCADHM CC[C@H](C(=O)[O-])[NH+]1CCC(c2nnc[n-]2)CC1 ZINC000828594834 587452165 /nfs/dbraw/zinc/45/21/65/587452165.db2.gz LNIDRNSETQSIOS-SECBINFHSA-N -1 3 238.291 0.847 20 0 BCADHM CC[C@H](C(=O)NCC(C)(C)C(=O)[O-])N(C)C ZINC000828587543 587452355 /nfs/dbraw/zinc/45/23/55/587452355.db2.gz TUKVKYJYPXEBPO-MRVPVSSYSA-N -1 3 230.308 0.554 20 0 BCADHM COC(=O)CCCN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828671093 587456043 /nfs/dbraw/zinc/45/60/43/587456043.db2.gz QBCJESVNNIWCBA-VIFPVBQESA-N -1 3 244.291 0.624 20 0 BCADHM CC[C@](C)(CC(=O)[O-])NCc1nncn1C ZINC000828671400 587456606 /nfs/dbraw/zinc/45/66/06/587456606.db2.gz CKCJJQLSVFJIQU-SNVBAGLBSA-N -1 3 226.280 0.548 20 0 BCADHM CC[C@@H](C)CN(CC)CC(=O)NCCC(=O)[O-] ZINC000828747694 587460324 /nfs/dbraw/zinc/46/03/24/587460324.db2.gz SKZKEVJXZUBMJE-SNVBAGLBSA-N -1 3 244.335 0.945 20 0 BCADHM CCC(CC)(CC(=O)[O-])NCc1ncnn1C ZINC000828804776 587462742 /nfs/dbraw/zinc/46/27/42/587462742.db2.gz SNKVQGKPGSGNME-UHFFFAOYSA-N -1 3 240.307 0.938 20 0 BCADHM COC[C@@H](C)N1CC[C@H](NC(=O)[O-])C1 ZINC000828896031 587469525 /nfs/dbraw/zinc/46/95/25/587469525.db2.gz FYFSPXAKRWSYAW-SFYZADRCSA-N -1 3 202.254 0.363 20 0 BCADHM COC[C@@H](O)CN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000828920242 587471985 /nfs/dbraw/zinc/47/19/85/587471985.db2.gz HGAISIMWGIWEIJ-ZJUUUORDSA-N -1 3 246.307 0.068 20 0 BCADHM COC[C@@H](NC1CN(C(=O)[O-])C1)C(C)C ZINC000828920960 587472098 /nfs/dbraw/zinc/47/20/98/587472098.db2.gz VLHXZZSBGXTSRQ-SECBINFHSA-N -1 3 216.281 0.609 20 0 BCADHM COCC1CCN(CCNC(=O)[O-])CC1 ZINC000828928631 587472931 /nfs/dbraw/zinc/47/29/31/587472931.db2.gz FYAKZKKHMRTTPB-UHFFFAOYSA-N -1 3 216.281 0.612 20 0 BCADHM COCC[C@H](C)NC1CN(C(=O)[O-])C1 ZINC000828934064 587473360 /nfs/dbraw/zinc/47/33/60/587473360.db2.gz KKAMSNFDWWFSBR-ZETCQYMHSA-N -1 3 202.254 0.363 20 0 BCADHM CC[C@@]1(C)CCN(CC(=O)NCCC(=O)[O-])C1 ZINC000829049780 587480612 /nfs/dbraw/zinc/48/06/12/587480612.db2.gz GCIXSSDTIRNWOG-LBPRGKRZSA-N -1 3 242.319 0.699 20 0 BCADHM O=C(OCCC[C@@H]1CCOC1)c1cnn[n-]1 ZINC000829185559 587487488 /nfs/dbraw/zinc/48/74/88/587487488.db2.gz UIPKJFXTJUGDRS-MRVPVSSYSA-N -1 3 225.248 0.778 20 0 BCADHM O=C(OCCC[C@@H]1CCOC1)c1c[n-]nn1 ZINC000829185559 587487490 /nfs/dbraw/zinc/48/74/90/587487490.db2.gz UIPKJFXTJUGDRS-MRVPVSSYSA-N -1 3 225.248 0.778 20 0 BCADHM CCCCN(C)CCNC(=O)[C@H](C)CC(=O)[O-] ZINC000829380760 587494793 /nfs/dbraw/zinc/49/47/93/587494793.db2.gz BTSJUPNKOUGNOG-SNVBAGLBSA-N -1 3 244.335 0.945 20 0 BCADHM CO/C(=C/c1ccccc1)C(=O)[N-]OCCO ZINC000829759406 587514056 /nfs/dbraw/zinc/51/40/56/587514056.db2.gz XNUMAUSUAKHDOJ-PKNBQFBNSA-N -1 3 237.255 0.714 20 0 BCADHM CN1CC[C@@H]1CNC(=O)c1cccc(F)c1[O-] ZINC000830135133 587537769 /nfs/dbraw/zinc/53/77/69/587537769.db2.gz KZQHUWYQIGEQEA-MRVPVSSYSA-N -1 3 238.262 0.965 20 0 BCADHM CCOc1nc(NC(=O)CO[C@H](C)CC)n[n-]1 ZINC000830400552 587549783 /nfs/dbraw/zinc/54/97/83/587549783.db2.gz ZWSYWSMLHJXDHS-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nnc(NC(=O)CO[C@H](C)CC)[n-]1 ZINC000830400552 587549784 /nfs/dbraw/zinc/54/97/84/587549784.db2.gz ZWSYWSMLHJXDHS-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1n[n-]c(NC(=O)CO[C@H](C)CC)n1 ZINC000830400552 587549786 /nfs/dbraw/zinc/54/97/86/587549786.db2.gz ZWSYWSMLHJXDHS-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CCC=CO2)n[n-]1 ZINC000830399231 587549865 /nfs/dbraw/zinc/54/98/65/587549865.db2.gz AZMSIDHVWGEOSA-SSDOTTSWSA-N -1 3 238.247 0.835 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CCC=CO2)[n-]1 ZINC000830399231 587549866 /nfs/dbraw/zinc/54/98/66/587549866.db2.gz AZMSIDHVWGEOSA-SSDOTTSWSA-N -1 3 238.247 0.835 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CCC=CO2)n1 ZINC000830399231 587549868 /nfs/dbraw/zinc/54/98/68/587549868.db2.gz AZMSIDHVWGEOSA-SSDOTTSWSA-N -1 3 238.247 0.835 20 0 BCADHM CCOc1nc(NC(=O)C=C(C)COC)n[n-]1 ZINC000830404020 587550371 /nfs/dbraw/zinc/55/03/71/587550371.db2.gz PJFGYBCWCWNGLE-FNORWQNLSA-N -1 3 240.263 0.735 20 0 BCADHM CCOc1nnc(NC(=O)C=C(C)COC)[n-]1 ZINC000830404020 587550372 /nfs/dbraw/zinc/55/03/72/587550372.db2.gz PJFGYBCWCWNGLE-FNORWQNLSA-N -1 3 240.263 0.735 20 0 BCADHM CCOc1n[n-]c(NC(=O)/C=C(\C)COC)n1 ZINC000830404020 587550373 /nfs/dbraw/zinc/55/03/73/587550373.db2.gz PJFGYBCWCWNGLE-FNORWQNLSA-N -1 3 240.263 0.735 20 0 BCADHM Cc1cc(=O)[n-]c(CN2CN(C)C(=O)[C@H]2C)n1 ZINC000830793326 587570619 /nfs/dbraw/zinc/57/06/19/587570619.db2.gz OPJIEAKSVUJJIT-MRVPVSSYSA-N -1 3 236.275 0.111 20 0 BCADHM Nc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c([O-])c1 ZINC000830849975 587573831 /nfs/dbraw/zinc/57/38/31/587573831.db2.gz XHASQYGGHHMUGV-AOOOYVTPSA-N -1 3 248.282 0.978 20 0 BCADHM CSCCO[N-]C(=O)CC1(O)CCC1 ZINC000830990409 587580583 /nfs/dbraw/zinc/58/05/83/587580583.db2.gz IVIYDJGHLOQBEV-UHFFFAOYSA-N -1 3 219.306 0.702 20 0 BCADHM Cn1ccc(CN[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000831018824 587582911 /nfs/dbraw/zinc/58/29/11/587582911.db2.gz RBSRJTZDKWPVKN-JTQLQIEISA-N -1 3 223.276 0.867 20 0 BCADHM Cn1nccc1CN[C@H]1CCCN(C(=O)[O-])C1 ZINC000831059846 587584300 /nfs/dbraw/zinc/58/43/00/587584300.db2.gz YQLLPFCBTOBDQT-VIFPVBQESA-N -1 3 238.291 0.652 20 0 BCADHM COC(=O)[C@H]1CCCN(C/C=C(/C)C(=O)[O-])C1 ZINC000831107491 587586219 /nfs/dbraw/zinc/58/62/19/587586219.db2.gz KURWHBYYTQAJMR-BSKOKIOFSA-N -1 3 241.287 0.902 20 0 BCADHM COC(=O)[C@H]1CCCN(C/C=C(\C)C(=O)[O-])C1 ZINC000831107493 587586338 /nfs/dbraw/zinc/58/63/38/587586338.db2.gz KURWHBYYTQAJMR-CYNRKNSPSA-N -1 3 241.287 0.902 20 0 BCADHM COC(=O)C1CCN(C/C=C(\C)C(=O)[O-])CC1 ZINC000831113389 587586402 /nfs/dbraw/zinc/58/64/02/587586402.db2.gz HFFMCFYXWDBNLG-YCRREMRBSA-N -1 3 241.287 0.902 20 0 BCADHM NC(=O)CC[C@@H]1CCCN(CCNC(=O)[O-])C1 ZINC000831184083 587590211 /nfs/dbraw/zinc/59/02/11/587590211.db2.gz FBQSMQFBBRBAJC-VIFPVBQESA-N -1 3 243.307 0.232 20 0 BCADHM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1c[n-]nn1 ZINC000831191933 587590795 /nfs/dbraw/zinc/59/07/95/587590795.db2.gz DTXNJFPVIKZWFY-YIZRAAEISA-N -1 3 234.259 0.126 20 0 BCADHM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cnn[n-]1 ZINC000831191933 587590796 /nfs/dbraw/zinc/59/07/96/587590796.db2.gz DTXNJFPVIKZWFY-YIZRAAEISA-N -1 3 234.259 0.126 20 0 BCADHM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cn[n-]n1 ZINC000831191933 587590797 /nfs/dbraw/zinc/59/07/97/587590797.db2.gz DTXNJFPVIKZWFY-YIZRAAEISA-N -1 3 234.259 0.126 20 0 BCADHM CN(C(=O)c1ccc(N)cc1[O-])[C@H]1CCOC1 ZINC000831346730 587600091 /nfs/dbraw/zinc/60/00/91/587600091.db2.gz NCMZOWBPYIVRDD-VIFPVBQESA-N -1 3 236.271 0.835 20 0 BCADHM O=C(NCC[C@H](O)C1CCCC1)c1c[n-]nn1 ZINC000831364236 587601603 /nfs/dbraw/zinc/60/16/03/587601603.db2.gz RLULYMDMPZXJIG-JTQLQIEISA-N -1 3 238.291 0.476 20 0 BCADHM O=C(NCC[C@H](O)C1CCCC1)c1cnn[n-]1 ZINC000831364236 587601605 /nfs/dbraw/zinc/60/16/05/587601605.db2.gz RLULYMDMPZXJIG-JTQLQIEISA-N -1 3 238.291 0.476 20 0 BCADHM O=C(NCC[C@H](O)C1CCCC1)c1cn[n-]n1 ZINC000831364236 587601608 /nfs/dbraw/zinc/60/16/08/587601608.db2.gz RLULYMDMPZXJIG-JTQLQIEISA-N -1 3 238.291 0.476 20 0 BCADHM CCON(CC)C(=O)c1cc(=O)[n-]cn1 ZINC000831451578 587608607 /nfs/dbraw/zinc/60/86/07/587608607.db2.gz VTOQRSYODGXHRT-UHFFFAOYSA-N -1 3 211.221 0.596 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC(=O)N1 ZINC000831582444 587620800 /nfs/dbraw/zinc/62/08/00/587620800.db2.gz XZQJNZJQWFGRRH-SSDOTTSWSA-N -1 3 220.228 0.528 20 0 BCADHM COC[C@@H](C)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000831643898 587625546 /nfs/dbraw/zinc/62/55/46/587625546.db2.gz RPWDNQQEQMHTOI-APPZFPTMSA-N -1 3 205.229 0.520 20 0 BCADHM NC(=O)CO[N-]C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000831651653 587626261 /nfs/dbraw/zinc/62/62/61/587626261.db2.gz IHTQXEHDZRBBKI-RKDXNWHRSA-N -1 3 240.303 0.736 20 0 BCADHM O=C([O-])N1CC(N(CCCCO)C2CC2)C1 ZINC000831846953 587634354 /nfs/dbraw/zinc/63/43/54/587634354.db2.gz OQDSTYTWZQAMGD-UHFFFAOYSA-N -1 3 228.292 0.586 20 0 BCADHM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCN1 ZINC000831966339 587640103 /nfs/dbraw/zinc/64/01/03/587640103.db2.gz QDMOCUUYDNAGCW-RXMQYKEDSA-N -1 3 227.651 0.741 20 0 BCADHM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(CCO)C1 ZINC000832005990 587642014 /nfs/dbraw/zinc/64/20/14/587642014.db2.gz PLUFOYXUQBRMEK-QWRGUYRKSA-N -1 3 242.319 0.833 20 0 BCADHM CC1=NO[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000832009297 587642569 /nfs/dbraw/zinc/64/25/69/587642569.db2.gz BQIOTCHQQPGPBJ-QMMMGPOBSA-N -1 3 221.216 0.891 20 0 BCADHM O=C([O-])N1CCc2cccc(CNCCO)c21 ZINC000832086076 587644936 /nfs/dbraw/zinc/64/49/36/587644936.db2.gz AFPPXSZPDFAVIW-UHFFFAOYSA-N -1 3 236.271 0.809 20 0 BCADHM O=C([O-])NC1CCN(C[C@H]2COCCO2)CC1 ZINC000832386535 587657159 /nfs/dbraw/zinc/65/71/59/587657159.db2.gz FKZLZJWQWDVLPC-JTQLQIEISA-N -1 3 244.291 0.134 20 0 BCADHM O=C([O-])NC[C@@H]1CCC[C@@H]1NCc1cc[nH]n1 ZINC000832481205 587662640 /nfs/dbraw/zinc/66/26/40/587662640.db2.gz GTCMLGAERVJRNV-WPRPVWTQSA-N -1 3 238.291 0.936 20 0 BCADHM O=C([O-])NC[C@H]1CCCN1CCn1cncn1 ZINC000832572812 587667760 /nfs/dbraw/zinc/66/77/60/587667760.db2.gz HRMRQNWGTQFJER-SECBINFHSA-N -1 3 239.279 0.010 20 0 BCADHM O=C([O-])NC[C@@H]1CCCN1C[C@H]1CCCO1 ZINC000832572232 587667791 /nfs/dbraw/zinc/66/77/91/587667791.db2.gz ACGVQLHRFKGWGA-VHSXEESVSA-N -1 3 228.292 0.897 20 0 BCADHM O=C([O-])NCCN1CCC2(C1)CCOCC2 ZINC000832641899 587672195 /nfs/dbraw/zinc/67/21/95/587672195.db2.gz NFOPCFATKWTTIH-UHFFFAOYSA-N -1 3 228.292 0.757 20 0 BCADHM O=C([O-])NCCN1CCC(n2ccnc2)CC1 ZINC000832642407 587672681 /nfs/dbraw/zinc/67/26/81/587672681.db2.gz YIXXHHXZFSQYJG-UHFFFAOYSA-N -1 3 238.291 0.788 20 0 BCADHM CCC[C@H](O)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000832696956 587677987 /nfs/dbraw/zinc/67/79/87/587677987.db2.gz ZWXZXDXZGLBGBX-QMMMGPOBSA-N -1 3 239.275 0.463 20 0 BCADHM C#CCCNc1ncccc1-c1nnn[n-]1 ZINC000095117974 598830810 /nfs/dbraw/zinc/83/08/10/598830810.db2.gz AWSWTQQQMWMVIN-UHFFFAOYSA-N -1 3 214.232 0.697 20 0 BCADHM C#CCCNc1ncccc1-c1nn[n-]n1 ZINC000095117974 598830811 /nfs/dbraw/zinc/83/08/11/598830811.db2.gz AWSWTQQQMWMVIN-UHFFFAOYSA-N -1 3 214.232 0.697 20 0 BCADHM C[S@@](=O)CCCNCc1c[nH]c(C(=O)[O-])c1 ZINC000832729503 587680496 /nfs/dbraw/zinc/68/04/96/587680496.db2.gz DUFCFBXAUBKUHU-MRXNPFEDSA-N -1 3 244.316 0.571 20 0 BCADHM CSCCN1CC[C@](F)(C(=O)[O-])C1 ZINC000832766793 587687245 /nfs/dbraw/zinc/68/72/45/587687245.db2.gz OXYHXTHNLGUVMD-MRVPVSSYSA-N -1 3 207.270 0.848 20 0 BCADHM Cc1cc(N2CCC[C@@H]2CC(=O)[O-])nc(N)n1 ZINC000832891760 587694658 /nfs/dbraw/zinc/69/46/58/587694658.db2.gz YTLFUWXKSOYIGE-MRVPVSSYSA-N -1 3 236.275 0.811 20 0 BCADHM O=C([O-])CC1(NCc2ncc[nH]2)CCOCC1 ZINC000833205383 587702543 /nfs/dbraw/zinc/70/25/43/587702543.db2.gz BXFCXKRQNUJVPX-UHFFFAOYSA-N -1 3 239.275 0.523 20 0 BCADHM O=C([O-])C[C@@H]1CCCN1CN1CCOC1=S ZINC000833210643 587702576 /nfs/dbraw/zinc/70/25/76/587702576.db2.gz NPFPOEAOQNREBX-QMMMGPOBSA-N -1 3 244.316 0.500 20 0 BCADHM CC(=O)CCN1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833388752 587713196 /nfs/dbraw/zinc/71/31/96/587713196.db2.gz YSTADWMHVKJSNK-JTQLQIEISA-N -1 3 242.319 0.446 20 0 BCADHM CC(C)N(CCN(C)C)C(=O)CCNC(=O)[O-] ZINC000833497551 587717660 /nfs/dbraw/zinc/71/76/60/587717660.db2.gz DZFYLZRWYFWKLR-UHFFFAOYSA-N -1 3 245.323 0.443 20 0 BCADHM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCN(C)C ZINC000833491177 587717695 /nfs/dbraw/zinc/71/76/95/587717695.db2.gz JYASWEWSRINISZ-VIFPVBQESA-N -1 3 245.323 0.347 20 0 BCADHM C[C@H](O)[C@@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833526132 587718737 /nfs/dbraw/zinc/71/87/37/587718737.db2.gz GJYASICBJNUZHM-DTWKUNHWSA-N -1 3 238.287 0.916 20 0 BCADHM C[C@H](O)[C@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833526135 587718885 /nfs/dbraw/zinc/71/88/85/587718885.db2.gz GJYASICBJNUZHM-IUCAKERBSA-N -1 3 238.287 0.916 20 0 BCADHM C[C@@H](O)[C@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833526129 587718905 /nfs/dbraw/zinc/71/89/05/587718905.db2.gz GJYASICBJNUZHM-BDAKNGLRSA-N -1 3 238.287 0.916 20 0 BCADHM C[C@@]1(C(=O)[O-])CCN(Cn2cnnc2)C1 ZINC000833554616 587719747 /nfs/dbraw/zinc/71/97/47/587719747.db2.gz CIOBYMLXLRWTGP-SECBINFHSA-N -1 3 210.237 0.032 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@H](O)C2)O1 ZINC000833576996 587720894 /nfs/dbraw/zinc/72/08/94/587720894.db2.gz DSAFZZGDWMVCLQ-DTWKUNHWSA-N -1 3 227.260 0.201 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN(C)[C@@H]2CCOC2)O1 ZINC000833578747 587720959 /nfs/dbraw/zinc/72/09/59/587720959.db2.gz WMELUKOFUWKTPQ-NXEZZACHSA-N -1 3 241.287 0.855 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN(C)[C@H]2CCOC2)O1 ZINC000833578750 587720964 /nfs/dbraw/zinc/72/09/64/587720964.db2.gz WMELUKOFUWKTPQ-VHSXEESVSA-N -1 3 241.287 0.855 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN(C)[C@@H]2CCOC2)O1 ZINC000833578751 587721004 /nfs/dbraw/zinc/72/10/04/587721004.db2.gz WMELUKOFUWKTPQ-ZJUUUORDSA-N -1 3 241.287 0.855 20 0 BCADHM CCN(CC)C(=O)CNC1(CC(=O)[O-])CCC1 ZINC000833654048 587727049 /nfs/dbraw/zinc/72/70/49/587727049.db2.gz XWFPWBQLOSDFJW-UHFFFAOYSA-N -1 3 242.319 0.842 20 0 BCADHM O=C([O-])[C@@H](O)C1CCN(C[C@H]2CCCO2)CC1 ZINC000833770445 587730459 /nfs/dbraw/zinc/73/04/59/587730459.db2.gz GMLOQNYJIYOKDB-MNOVXSKESA-N -1 3 243.303 0.323 20 0 BCADHM O=C([O-])c1cc(CN2CCC[C@H]2CO)c[nH]1 ZINC000833779185 587731414 /nfs/dbraw/zinc/73/14/14/587731414.db2.gz KFMKCIMIHPUHOK-VIFPVBQESA-N -1 3 224.260 0.670 20 0 BCADHM O=C([O-])c1cc(CN2CC[C@H](O)C2)c[nH]1 ZINC000833779488 587731500 /nfs/dbraw/zinc/73/15/00/587731500.db2.gz LUUMVCLRKWHXOB-QMMMGPOBSA-N -1 3 210.233 0.280 20 0 BCADHM CC(C)N(C)CC(=O)NC[C@@H](C)CNC(=O)[O-] ZINC000833809026 587733456 /nfs/dbraw/zinc/73/34/56/587733456.db2.gz IFPKPQXBLSGICX-SECBINFHSA-N -1 3 245.323 0.347 20 0 BCADHM C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1CCCCO ZINC000833825885 587734877 /nfs/dbraw/zinc/73/48/77/587734877.db2.gz DKDPRAKPMVLWMY-NXEZZACHSA-N -1 3 230.308 0.832 20 0 BCADHM CCN(CCC(C)(C)O)C1CN(C(=O)[O-])C1 ZINC000833858133 587736390 /nfs/dbraw/zinc/73/63/90/587736390.db2.gz WYAYWMOUIDPFNE-UHFFFAOYSA-N -1 3 230.308 0.832 20 0 BCADHM CCN(CCCNCc1cnnn1C)C(=O)[O-] ZINC000833857537 587736392 /nfs/dbraw/zinc/73/63/92/587736392.db2.gz KGMXUQXADZRKOD-UHFFFAOYSA-N -1 3 241.295 0.295 20 0 BCADHM CCNC(=O)[C@H](C)N[C@@H](C)C[C@@H](C)NC(=O)[O-] ZINC000833859774 587737062 /nfs/dbraw/zinc/73/70/62/587737062.db2.gz IFUHUUVQUFXXLJ-YIZRAAEISA-N -1 3 245.323 0.535 20 0 BCADHM COC(=O)CCN1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000833878104 587738157 /nfs/dbraw/zinc/73/81/57/587738157.db2.gz DBXYGNQVZKXRAW-DTWKUNHWSA-N -1 3 244.291 0.670 20 0 BCADHM Cn1cc(CNC[C@H](NC(=O)[O-])C2CC2)cn1 ZINC000833946111 587739555 /nfs/dbraw/zinc/73/95/55/587739555.db2.gz HRCDYVYKFJHVAK-JTQLQIEISA-N -1 3 238.291 0.556 20 0 BCADHM Cn1ccnc1CNC[C@H]1CCN(C(=O)[O-])C1 ZINC000833957636 587740091 /nfs/dbraw/zinc/74/00/91/587740091.db2.gz QZJREFHEEGEGSU-SECBINFHSA-N -1 3 238.291 0.510 20 0 BCADHM O=C([O-])N1CC(CNCc2ccoc2)C1 ZINC000834069206 587743843 /nfs/dbraw/zinc/74/38/43/587743843.db2.gz SFKVUAHGKGQVAU-UHFFFAOYSA-N -1 3 210.233 0.979 20 0 BCADHM O=C([O-])N1CC[C@@H](NC2CSC2)C1 ZINC000834084016 587744134 /nfs/dbraw/zinc/74/41/34/587744134.db2.gz LMXBSUFPJZAOPE-ZCFIWIBFSA-N -1 3 202.279 0.444 20 0 BCADHM O=C([O-])N[C@H](CNC1CSC1)C1CC1 ZINC000834149239 587747733 /nfs/dbraw/zinc/74/77/33/587747733.db2.gz DZFHISSOIAYBTO-MRVPVSSYSA-N -1 3 216.306 0.738 20 0 BCADHM O=C([O-])N[C@@H]1CCCN([C@@H]2CCOC2)C1 ZINC000834183024 587748325 /nfs/dbraw/zinc/74/83/25/587748325.db2.gz OYPCWYDENZLKBN-RKDXNWHRSA-N -1 3 214.265 0.507 20 0 BCADHM O=C([O-])N[C@H]1CCN(CCn2ccnc2)C1 ZINC000834190044 587748334 /nfs/dbraw/zinc/74/83/34/587748334.db2.gz QTVXWTPSEPKYMV-VIFPVBQESA-N -1 3 224.264 0.225 20 0 BCADHM O=C([O-])N[C@H]1CCCN(CCn2ccnc2)C1 ZINC000834180624 587748440 /nfs/dbraw/zinc/74/84/40/587748440.db2.gz FUXYIIQDZUTPKE-JTQLQIEISA-N -1 3 238.291 0.615 20 0 BCADHM O=C([O-])NC1CCN(CCn2ccnc2)CC1 ZINC000834189388 587748445 /nfs/dbraw/zinc/74/84/45/587748445.db2.gz KWSAMUKBTBWTRW-UHFFFAOYSA-N -1 3 238.291 0.615 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CCn2ccnc2)C1 ZINC000834190043 587748493 /nfs/dbraw/zinc/74/84/93/587748493.db2.gz QTVXWTPSEPKYMV-SECBINFHSA-N -1 3 224.264 0.225 20 0 BCADHM O=C([O-])NC[C@@H]1CCCN1CCn1ccnc1 ZINC000834222015 587749264 /nfs/dbraw/zinc/74/92/64/587749264.db2.gz WHPJYEKCVXVYOH-JTQLQIEISA-N -1 3 238.291 0.615 20 0 BCADHM Cn1ccc(NC(=O)C[N-]C(=O)C(C)(F)F)n1 ZINC000834530001 587758931 /nfs/dbraw/zinc/75/89/31/587758931.db2.gz FZOMKWOXURCHJR-UHFFFAOYSA-N -1 3 246.217 0.130 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C1(CCF)CC1 ZINC000834618394 587760960 /nfs/dbraw/zinc/76/09/60/587760960.db2.gz NRUIDTUSJAQGID-UHFFFAOYSA-N -1 3 219.256 0.945 20 0 BCADHM CC(C)(C)C[C@H](O)CC(=O)[N-]OCC(C)(C)O ZINC000834618244 587760964 /nfs/dbraw/zinc/76/09/64/587760964.db2.gz ISFJSYAZYSHIMN-SECBINFHSA-N -1 3 247.335 0.992 20 0 BCADHM CC(C)(C)C[C@@H](O)CC(=O)[N-]OCC(C)(C)O ZINC000834618245 587760966 /nfs/dbraw/zinc/76/09/66/587760966.db2.gz ISFJSYAZYSHIMN-VIFPVBQESA-N -1 3 247.335 0.992 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1CCSC1 ZINC000834621428 587761269 /nfs/dbraw/zinc/76/12/69/587761269.db2.gz FAXMCSJCZZJCGI-ZETCQYMHSA-N -1 3 219.306 0.558 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1c[nH]cn1 ZINC000834621397 587761286 /nfs/dbraw/zinc/76/12/86/587761286.db2.gz DFBPELLOALXWLL-UHFFFAOYSA-N -1 3 227.264 0.161 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1cnc[nH]1 ZINC000834621397 587761287 /nfs/dbraw/zinc/76/12/87/587761287.db2.gz DFBPELLOALXWLL-UHFFFAOYSA-N -1 3 227.264 0.161 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]OCC(C)(C)O ZINC000834621994 587761373 /nfs/dbraw/zinc/76/13/73/587761373.db2.gz ONTCNHMSUNYNQC-MRVPVSSYSA-N -1 3 219.281 0.356 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C1CC(F)(F)C1 ZINC000834621406 587761418 /nfs/dbraw/zinc/76/14/18/587761418.db2.gz DONCNIHTVQVIFP-UHFFFAOYSA-N -1 3 223.219 0.850 20 0 BCADHM O=CN1CCC[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000834781175 587766985 /nfs/dbraw/zinc/76/69/85/587766985.db2.gz CLBKMQOHVLAEGO-SNVBAGLBSA-N -1 3 249.270 0.024 20 0 BCADHM Cn1ncc(CNC2(C(=O)[O-])CCCC2)n1 ZINC000836690039 587835841 /nfs/dbraw/zinc/83/58/41/587835841.db2.gz TTZIOBXFMVENSN-UHFFFAOYSA-N -1 3 224.264 0.302 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H]1CCSC1 ZINC000836890841 587841612 /nfs/dbraw/zinc/84/16/12/587841612.db2.gz KVPHDTZMNCGDCM-RKDXNWHRSA-N -1 3 233.333 0.804 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C[C@](C)(O)C1CC1 ZINC000836894309 587841783 /nfs/dbraw/zinc/84/17/83/587841783.db2.gz PYNNYOKIQITQDZ-JQWIXIFHSA-N -1 3 245.319 0.602 20 0 BCADHM COC[C@H](C)CC(=O)[N-]O[C@H](CO)C(C)C ZINC000836892851 587841828 /nfs/dbraw/zinc/84/18/28/587841828.db2.gz SPLCOCIJLZOHIZ-NXEZZACHSA-N -1 3 233.308 0.724 20 0 BCADHM COC(C)(C)CC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836899213 587842518 /nfs/dbraw/zinc/84/25/18/587842518.db2.gz NBXIZFWDIBIHPT-VIFPVBQESA-N -1 3 233.308 0.866 20 0 BCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)CC(C)(C)C)C(=O)O1 ZINC000841526458 587957551 /nfs/dbraw/zinc/95/75/51/587957551.db2.gz YKBVWLCSWMENJG-SFYZADRCSA-N -1 3 249.332 0.656 20 0 BCADHM CCCS(=O)(=O)[N-][C@@H]1C(=O)OCC1(C)C ZINC000841534942 587958337 /nfs/dbraw/zinc/95/83/37/587958337.db2.gz OLJXVSGPBIHDOI-SSDOTTSWSA-N -1 3 235.305 0.267 20 0 BCADHM CCCn1c(SCC[S@](C)=O)n[n-]c1=O ZINC000842521403 588032803 /nfs/dbraw/zinc/03/28/03/588032803.db2.gz BBEIEOHWORGXDQ-HNNXBMFYSA-N -1 3 249.361 0.864 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CC1=CCCC1 ZINC000842570576 588043397 /nfs/dbraw/zinc/04/33/97/588043397.db2.gz BSENCDDVCDYTFU-QMMMGPOBSA-N -1 3 244.316 0.504 20 0 BCADHM C[C@H]1C[C@H](NC(=O)c2ccc(N)cc2[O-])CO1 ZINC000843514109 588118263 /nfs/dbraw/zinc/11/82/63/588118263.db2.gz SMQJBCBNQNWQNZ-CBAPKCEASA-N -1 3 236.271 0.882 20 0 BCADHM COC1(C(=O)[N-]C2=NCCS2)CC1 ZINC000843524666 588119331 /nfs/dbraw/zinc/11/93/31/588119331.db2.gz DHQYHATZNHDIDC-UHFFFAOYSA-N -1 3 200.263 0.384 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC000843815760 588142604 /nfs/dbraw/zinc/14/26/04/588142604.db2.gz XMYPJPYXRXNISF-SSDOTTSWSA-N -1 3 201.222 0.050 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C1(F)CC1 ZINC000843819563 588142849 /nfs/dbraw/zinc/14/28/49/588142849.db2.gz WLRLZFYCLCVKON-UHFFFAOYSA-N -1 3 227.195 0.637 20 0 BCADHM O=C([N-]OCC(F)(F)F)[C@H]1CCC(=O)C1 ZINC000843828510 588143308 /nfs/dbraw/zinc/14/33/08/588143308.db2.gz UUWMIKSTBRWMPP-YFKPBYRVSA-N -1 3 225.166 0.966 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@H]1CCC(=O)C1 ZINC000843893961 588148219 /nfs/dbraw/zinc/14/82/19/588148219.db2.gz LIVNJXJNQBFGSI-VIFPVBQESA-N -1 3 229.276 0.828 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC000843898939 588148553 /nfs/dbraw/zinc/14/85/53/588148553.db2.gz BUCNKVPTUQBTMI-SSDOTTSWSA-N -1 3 215.249 0.174 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1CCC(=O)C1 ZINC000843898940 588148865 /nfs/dbraw/zinc/14/88/65/588148865.db2.gz BUCNKVPTUQBTMI-ZETCQYMHSA-N -1 3 215.249 0.174 20 0 BCADHM COC1(C(=O)[N-]C2=NC[C@H](C)S2)CC1 ZINC000843911427 588150209 /nfs/dbraw/zinc/15/02/09/588150209.db2.gz IUCPMDKKLHKYTK-LURJTMIESA-N -1 3 214.290 0.773 20 0 BCADHM CCCO[N-]C(=O)c1c(OC)ncnc1OC ZINC000844084542 588163329 /nfs/dbraw/zinc/16/33/29/588163329.db2.gz VKUDFZDPOUXUCJ-UHFFFAOYSA-N -1 3 241.247 0.565 20 0 BCADHM CCCO[N-]C(=O)CN(CC)C1CC1 ZINC000844086639 588164197 /nfs/dbraw/zinc/16/41/97/588164197.db2.gz WSRZLNZOIITUPC-UHFFFAOYSA-N -1 3 200.282 0.929 20 0 BCADHM O=C(Nc1nnc(SCCO)[n-]1)C1(F)CC1 ZINC000844134742 588169651 /nfs/dbraw/zinc/16/96/51/588169651.db2.gz JAWQTXMWJJOHBC-UHFFFAOYSA-N -1 3 246.267 0.330 20 0 BCADHM O=C(Nc1nc(SCCO)n[n-]1)C1(F)CC1 ZINC000844134742 588169652 /nfs/dbraw/zinc/16/96/52/588169652.db2.gz JAWQTXMWJJOHBC-UHFFFAOYSA-N -1 3 246.267 0.330 20 0 BCADHM O=C(Nc1n[n-]c(SCCO)n1)C1(F)CC1 ZINC000844134742 588169653 /nfs/dbraw/zinc/16/96/53/588169653.db2.gz JAWQTXMWJJOHBC-UHFFFAOYSA-N -1 3 246.267 0.330 20 0 BCADHM CCCO[N-]C(=O)CCCC(=O)OC ZINC000844150828 588170277 /nfs/dbraw/zinc/17/02/77/588170277.db2.gz WWWDOGXXOUDDES-UHFFFAOYSA-N -1 3 203.238 0.788 20 0 BCADHM O=C([N-][C@@H]1CCn2ccnc21)C(F)F ZINC000844553530 588201965 /nfs/dbraw/zinc/20/19/65/588201965.db2.gz UQFAGUNMPIEGOI-RXMQYKEDSA-N -1 3 201.176 0.709 20 0 BCADHM O=C(OC1CCCC1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845375695 588228221 /nfs/dbraw/zinc/22/82/21/588228221.db2.gz NIQBXILMOVWPPZ-QMMMGPOBSA-N -1 3 233.289 0.164 20 0 BCADHM CCC(CC)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845375529 588228253 /nfs/dbraw/zinc/22/82/53/588228253.db2.gz LQQNDSNWOOHHFK-MRVPVSSYSA-N -1 3 235.305 0.410 20 0 BCADHM CC(C)CCCOC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845375156 588228479 /nfs/dbraw/zinc/22/84/79/588228479.db2.gz JBKFUDHWXUXLEQ-SECBINFHSA-N -1 3 249.332 0.658 20 0 BCADHM CC(C)[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845496036 588230735 /nfs/dbraw/zinc/23/07/35/588230735.db2.gz QBIDOBIRCMTQHS-HTQZYQBOSA-N -1 3 235.305 0.266 20 0 BCADHM CC1(C)C[C@@H]1COC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845576465 588233877 /nfs/dbraw/zinc/23/38/77/588233877.db2.gz LHMGRMXVHGUDLD-SFYZADRCSA-N -1 3 247.316 0.267 20 0 BCADHM CC[C@H](OC(=O)[C@@H]1CCS(=O)(=O)[N-]1)C(C)C ZINC000845849493 588247231 /nfs/dbraw/zinc/24/72/31/588247231.db2.gz BMUQSLKJPCBCKF-IUCAKERBSA-N -1 3 249.332 0.656 20 0 BCADHM CCC[C@@H](C)S(=O)(=O)[N-]Cc1nonc1C ZINC000845879109 588249287 /nfs/dbraw/zinc/24/92/87/588249287.db2.gz UHXUZKZYYCDVBQ-SSDOTTSWSA-N -1 3 247.320 0.986 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845913499 588249709 /nfs/dbraw/zinc/24/97/09/588249709.db2.gz QWMPHFNDCQKJOY-RKDXNWHRSA-N -1 3 226.276 0.346 20 0 BCADHM CCOCCO[N-]C(=O)C[C@@H](C)n1ccnc1 ZINC000845958384 588251799 /nfs/dbraw/zinc/25/17/99/588251799.db2.gz MOQNIVFIPRDMNL-SNVBAGLBSA-N -1 3 241.291 0.919 20 0 BCADHM CCO[N-]C(=O)CNCc1cncn1C(C)C ZINC000846083638 588255729 /nfs/dbraw/zinc/25/57/29/588255729.db2.gz UGQCLNXNONDWQK-UHFFFAOYSA-N -1 3 240.307 0.621 20 0 BCADHM CCO[N-]C(=O)CNCc1cnccc1C ZINC000846087965 588255853 /nfs/dbraw/zinc/25/58/53/588255853.db2.gz VSXBCZVOZOXMOE-UHFFFAOYSA-N -1 3 223.276 0.547 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc(C)nc1 ZINC000846084445 588255885 /nfs/dbraw/zinc/25/58/85/588255885.db2.gz DMBRVQXWGOQMFS-UHFFFAOYSA-N -1 3 223.276 0.547 20 0 BCADHM CCO[N-]C(=O)CNCc1ccnn1CC ZINC000846087456 588255942 /nfs/dbraw/zinc/25/59/42/588255942.db2.gz TVKHYSQQUZOJAO-UHFFFAOYSA-N -1 3 226.280 0.060 20 0 BCADHM CCO[N-]C(=O)CNCc1cnc(C)s1 ZINC000846090238 588256117 /nfs/dbraw/zinc/25/61/17/588256117.db2.gz DJGCHJGKJJDBIO-UHFFFAOYSA-N -1 3 229.305 0.609 20 0 BCADHM NC(=O)[C@H]1C[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000846439395 588266496 /nfs/dbraw/zinc/26/64/96/588266496.db2.gz PNQANZJGLQXKJE-ZXZARUISSA-N -1 3 242.172 0.267 20 0 BCADHM CC[C@@H](C(=O)[N-]OC1CCN(C)CC1)[C@@H](C)O ZINC000846651118 588280753 /nfs/dbraw/zinc/28/07/53/588280753.db2.gz ZNJGFFZCQBSDDA-MWLCHTKSSA-N -1 3 244.335 0.535 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]OCC(F)(F)F)C1 ZINC000847589258 588317944 /nfs/dbraw/zinc/31/79/44/588317944.db2.gz XSEXMEQDMDAHBX-SSDOTTSWSA-N -1 3 240.225 0.938 20 0 BCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OCc1cccnc1 ZINC000847599841 588318321 /nfs/dbraw/zinc/31/83/21/588318321.db2.gz TVNCCTIPWLKDEE-NXEZZACHSA-N -1 3 249.270 0.141 20 0 BCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OC1CCCCC1 ZINC000847773213 588329326 /nfs/dbraw/zinc/32/93/26/588329326.db2.gz YLPPMROTBOIXRP-NXEZZACHSA-N -1 3 240.303 0.878 20 0 BCADHM O=C(C[C@H]1OCc2ccccc21)[N-]OCCO ZINC000847757473 588329604 /nfs/dbraw/zinc/32/96/04/588329604.db2.gz ZLESHBJYXNNEOK-LLVKDONJSA-N -1 3 237.255 0.688 20 0 BCADHM CSCCO[N-]C(=O)CN1CC[C@@H](C)C1 ZINC000848021237 588348294 /nfs/dbraw/zinc/34/82/94/588348294.db2.gz SOIOYLQJUDRGFB-SECBINFHSA-N -1 3 232.349 0.739 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cccc([O-])c2)C(=O)O1 ZINC000848078340 588355144 /nfs/dbraw/zinc/35/51/44/588355144.db2.gz SMGLLQBUWSQAKL-OIBJUYFYSA-N -1 3 235.239 0.826 20 0 BCADHM CC(C)OCCO[N-]C(=O)CN1CC[C@@H](C)C1 ZINC000848108554 588356184 /nfs/dbraw/zinc/35/61/84/588356184.db2.gz PALFALQONMRBBH-LLVKDONJSA-N -1 3 244.335 0.801 20 0 BCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OC/C=C\Cl ZINC000848104686 588356218 /nfs/dbraw/zinc/35/62/18/588356218.db2.gz ANQMSVMALORINK-VDESHTLQSA-N -1 3 232.667 0.298 20 0 BCADHM CO[C@@H]1CCN(C(=O)Cc2cncc([O-])c2)C1 ZINC000848372290 588374400 /nfs/dbraw/zinc/37/44/00/588374400.db2.gz NCJZCCXWAVZLGW-LLVKDONJSA-N -1 3 236.271 0.577 20 0 BCADHM CSCCO[N-]C(=O)Cc1cncc(O)c1 ZINC000848376949 588374568 /nfs/dbraw/zinc/37/45/68/588374568.db2.gz RCWIHVGEKPMNKP-UHFFFAOYSA-N -1 3 242.300 0.741 20 0 BCADHM CNC(=O)COC(=O)c1ccc(Cl)cc1[O-] ZINC000006637230 588427710 /nfs/dbraw/zinc/42/77/10/588427710.db2.gz CGOXAPXYTWGRNA-UHFFFAOYSA-N -1 3 243.646 0.948 20 0 BCADHM C[C@@H](OC(=O)c1ccc([O-])cc1O)C(N)=O ZINC000849120695 588452915 /nfs/dbraw/zinc/45/29/15/588452915.db2.gz OQJWJGIHINLXBZ-RXMQYKEDSA-N -1 3 225.200 0.128 20 0 BCADHM CC(C)c1nnc([N-]CC(=O)N(C)C)o1 ZINC000849163197 588458366 /nfs/dbraw/zinc/45/83/66/588458366.db2.gz GGXYLHYGCLAGRZ-UHFFFAOYSA-N -1 3 212.253 0.693 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@]1(F)CCNC1 ZINC000849366351 588475889 /nfs/dbraw/zinc/47/58/89/588475889.db2.gz SRLIRTYNVKPZBT-GMSGAONNSA-N -1 3 232.255 0.010 20 0 BCADHM N[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000849364197 588476041 /nfs/dbraw/zinc/47/60/41/588476041.db2.gz FPHDUSTXNUMWKG-AEJSXWLSSA-N -1 3 234.255 0.276 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1conc1C ZINC000849767565 588495840 /nfs/dbraw/zinc/49/58/40/588495840.db2.gz DQJXNNOOQDGJJY-UHFFFAOYSA-N -1 3 222.204 0.767 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1cncs1 ZINC000849769375 588496331 /nfs/dbraw/zinc/49/63/31/588496331.db2.gz WQMJLXKJMCCBMC-UHFFFAOYSA-N -1 3 224.245 0.927 20 0 BCADHM OC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000095163743 598856495 /nfs/dbraw/zinc/85/64/95/598856495.db2.gz MAKBIQIHYNZUHW-QMMMGPOBSA-N -1 3 246.274 0.080 20 0 BCADHM OC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000095163743 598856496 /nfs/dbraw/zinc/85/64/96/598856496.db2.gz MAKBIQIHYNZUHW-QMMMGPOBSA-N -1 3 246.274 0.080 20 0 BCADHM C[C@H](C(=O)[O-])N(C[C@@H](O)C(F)(F)F)C1CC1 ZINC000851706443 588614926 /nfs/dbraw/zinc/61/49/26/588614926.db2.gz OAFLSSNNGGFSEV-IYSWYEEDSA-N -1 3 241.209 0.847 20 0 BCADHM CN(C)[C@H]1CCN(C(=O)NCCCC(=O)[O-])C1 ZINC000110433710 588666215 /nfs/dbraw/zinc/66/62/15/588666215.db2.gz YBUMIRPDLXEHGU-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM Cc1cc(=O)[n-]c(CN2C[C@@H]3COC[C@]3(C)C2)n1 ZINC000852534613 588688879 /nfs/dbraw/zinc/68/88/79/588688879.db2.gz NQEYEZUJIJHSKJ-MFKMUULPSA-N -1 3 249.314 0.959 20 0 BCADHM Cc1cc(=O)[n-]c(CN[C@H]2C[C@@H](O)C23CCC3)n1 ZINC000852585075 588692187 /nfs/dbraw/zinc/69/21/87/588692187.db2.gz XNGRDFYRWSSHJM-VHSXEESVSA-N -1 3 249.314 0.884 20 0 BCADHM Cc1cc(=O)[n-]c(CN[C@H]2C[C@H](O)C23CCC3)n1 ZINC000852585074 588692404 /nfs/dbraw/zinc/69/24/04/588692404.db2.gz XNGRDFYRWSSHJM-UWVGGRQHSA-N -1 3 249.314 0.884 20 0 BCADHM O=C([O-])[C@]12COC[C@H]1CN(C/C=C/Cl)C2 ZINC000852733270 588698598 /nfs/dbraw/zinc/69/85/98/588698598.db2.gz OIDKZFZHLOLSCF-ZYFAAYQBSA-N -1 3 231.679 0.772 20 0 BCADHM CC(C)OC[C@H](N)C(=O)[N-]O[C@H]1CCCCO1 ZINC000852799470 588704023 /nfs/dbraw/zinc/70/40/23/588704023.db2.gz HEKPCKCNZYYEKB-UWVGGRQHSA-N -1 3 246.307 0.313 20 0 BCADHM O=C([N-]c1ccon1)c1cn(C2CC2)nn1 ZINC000860543989 589105128 /nfs/dbraw/zinc/10/51/28/589105128.db2.gz IRAWEJJQBYJYKX-UHFFFAOYSA-N -1 3 219.204 0.853 20 0 BCADHM CCc1n[n-]c(Cl)c1C(=O)NOCCO ZINC000860938942 589135576 /nfs/dbraw/zinc/13/55/76/589135576.db2.gz KTMUELUCHJUSOL-UHFFFAOYSA-N -1 3 233.655 0.279 20 0 BCADHM CCc1[n-]nc(Cl)c1C(=O)NOCCO ZINC000860938942 589135578 /nfs/dbraw/zinc/13/55/78/589135578.db2.gz KTMUELUCHJUSOL-UHFFFAOYSA-N -1 3 233.655 0.279 20 0 BCADHM CC(C)n1ncc(C(=O)[N-]OCCO)c1Cl ZINC000860938906 589135663 /nfs/dbraw/zinc/13/56/63/589135663.db2.gz IVTOSQTVSQZKNE-UHFFFAOYSA-N -1 3 247.682 0.771 20 0 BCADHM C[C@H](C(=O)[N-]OC/C=C\Cl)[C@@H]1CCC(=O)N1 ZINC000861782676 589177891 /nfs/dbraw/zinc/17/78/91/589177891.db2.gz HGFJDTNECHZSHF-CHICJEOWSA-N -1 3 246.694 0.701 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC000861809728 589179081 /nfs/dbraw/zinc/17/90/81/589179081.db2.gz VRGQXMZMXRFSGK-LPEHRKFASA-N -1 3 242.319 0.995 20 0 BCADHM CC(C)O[N-]C(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC000861880065 589181643 /nfs/dbraw/zinc/18/16/43/589181643.db2.gz YXQLIYMTMWMXOU-JGVFFNPUSA-N -1 3 214.265 0.357 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C12CC(C1)C2 ZINC000861907750 589182691 /nfs/dbraw/zinc/18/26/91/589182691.db2.gz VGWNFEOMJCFMAU-YUCVTWSNSA-N -1 3 213.277 0.851 20 0 BCADHM O=C(NC[C@H]1COCO1)c1ccc(O)cc1[O-] ZINC000861975855 589187630 /nfs/dbraw/zinc/18/76/30/589187630.db2.gz UQHRJLNPDDHSFQ-QMMMGPOBSA-N -1 3 239.227 0.201 20 0 BCADHM C[C@H]1CN=C(NC(=O)c2cc(=O)[n-]cn2)S1 ZINC000862043883 589190639 /nfs/dbraw/zinc/19/06/39/589190639.db2.gz HPEMZNYBNKEOFG-YFKPBYRVSA-N -1 3 238.272 0.403 20 0 BCADHM CC(C)[C@H](F)C(=O)[N-]N1CCOC1=O ZINC000862702264 589234232 /nfs/dbraw/zinc/23/42/32/589234232.db2.gz DZLFJYHBKUBQTK-LURJTMIESA-N -1 3 204.201 0.464 20 0 BCADHM Cc1cncc(C(=O)[N-]N2CCOC2=O)c1 ZINC000862701319 589234056 /nfs/dbraw/zinc/23/40/56/589234056.db2.gz TVSCVTOTEPSSNO-UHFFFAOYSA-N -1 3 221.216 0.487 20 0 BCADHM Cc1cc(C(=O)[N-]N2CCOC2=O)co1 ZINC000862702883 589234649 /nfs/dbraw/zinc/23/46/49/589234649.db2.gz PJZHQYXSAHGXGR-UHFFFAOYSA-N -1 3 210.189 0.685 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-][C@H]1COCCC1=O ZINC000862934784 589247525 /nfs/dbraw/zinc/24/75/25/589247525.db2.gz ULPNPDMQWIJMDO-YFKPBYRVSA-N -1 3 240.086 0.654 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H](C)C(=O)N(C)OC ZINC000863633392 589306050 /nfs/dbraw/zinc/30/60/50/589306050.db2.gz LCNDXDKGAWNYLE-LURJTMIESA-N -1 3 238.234 0.556 20 0 BCADHM O=C([O-])CCCNc1ccnc(CO)c1 ZINC000863733661 589313815 /nfs/dbraw/zinc/31/38/15/589313815.db2.gz UTQMGKCOJVNGMZ-UHFFFAOYSA-N -1 3 210.233 0.851 20 0 BCADHM O=C([O-])[C@@H]1CCCN1c1ccnc(CO)c1 ZINC000863733617 589313880 /nfs/dbraw/zinc/31/38/80/589313880.db2.gz SFDWPWFORSETNR-JTQLQIEISA-N -1 3 222.244 0.627 20 0 BCADHM CN(CCCC(=O)[O-])c1ccnc(CO)c1 ZINC000863732615 589313930 /nfs/dbraw/zinc/31/39/30/589313930.db2.gz BAYLDPQBLGGEAF-UHFFFAOYSA-N -1 3 224.260 0.875 20 0 BCADHM C[C@H](CNc1ccnc(CO)c1)C(=O)[O-] ZINC000863733434 589314083 /nfs/dbraw/zinc/31/40/83/589314083.db2.gz OGVAEMRKGUWYLL-SSDOTTSWSA-N -1 3 210.233 0.707 20 0 BCADHM COCCO[N-]C(=O)CCc1cn[nH]c1 ZINC000863895045 589324324 /nfs/dbraw/zinc/32/43/24/589324324.db2.gz ZHHMJNOPTUZLBN-UHFFFAOYSA-N -1 3 213.237 0.037 20 0 BCADHM CN(CC(=O)[N-]OCC(C)(C)O)C1CCC1 ZINC000863910118 589325331 /nfs/dbraw/zinc/32/53/31/589325331.db2.gz LJTPOMKHUOGOMH-UHFFFAOYSA-N -1 3 230.308 0.289 20 0 BCADHM CO[N-]C(=O)Cc1cccnc1Cl ZINC000864748328 589392393 /nfs/dbraw/zinc/39/23/93/589392393.db2.gz MZBWDRYRQYCJGM-UHFFFAOYSA-N -1 3 200.625 0.955 20 0 BCADHM O=C(NN1CC(=O)[N-]C1=O)C1(C(F)F)CCC1 ZINC000864897091 589400229 /nfs/dbraw/zinc/40/02/29/589400229.db2.gz NFVDPDIABZYEMA-UHFFFAOYSA-N -1 3 247.201 0.005 20 0 BCADHM Cc1ccnc(NCCCc2c[n-][nH]c2=O)n1 ZINC000865942909 589469803 /nfs/dbraw/zinc/46/98/03/589469803.db2.gz XEVZVYPHDBUKBE-VIFPVBQESA-N -1 3 233.275 0.709 20 0 BCADHM CC[C@@H](C[C@@H](C)O)N=c1ncnc2[nH][n-]cc1-2 ZINC000866300867 589484912 /nfs/dbraw/zinc/48/49/12/589484912.db2.gz YKJXLZWFMIUORX-SFYZADRCSA-N -1 3 235.291 0.688 20 0 BCADHM CCC[C@H](C)[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866385158 589489083 /nfs/dbraw/zinc/48/90/83/589489083.db2.gz SGCUHPXWGZHFNH-ZETCQYMHSA-N -1 3 242.366 0.737 20 0 BCADHM CCC[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000866387262 589489403 /nfs/dbraw/zinc/48/94/03/589489403.db2.gz PGRAGQRJQCNZFA-UHFFFAOYSA-N -1 3 240.350 0.493 20 0 BCADHM Cc1cnc(F)c(C(=O)[N-]OCCO)c1 ZINC000867496787 589523095 /nfs/dbraw/zinc/52/30/95/589523095.db2.gz LHXTXNQWCQTROQ-UHFFFAOYSA-N -1 3 214.196 0.183 20 0 BCADHM CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1C=CCC1 ZINC000867506488 589523200 /nfs/dbraw/zinc/52/32/00/589523200.db2.gz YDLRGGYAGPGRKP-SSDOTTSWSA-N -1 3 238.334 0.267 20 0 BCADHM Cc1n[nH]cc1S(=O)(=O)[N-]CC(C)(C)F ZINC000867575723 589526034 /nfs/dbraw/zinc/52/60/34/589526034.db2.gz BBLPOKRVHDUQJE-UHFFFAOYSA-N -1 3 235.284 0.745 20 0 BCADHM C/C=C/C[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000867566002 589526068 /nfs/dbraw/zinc/52/60/68/589526068.db2.gz ZSCAUSKLIWLGOO-BPJJOFIESA-N -1 3 240.350 0.515 20 0 BCADHM C/C=C\C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867565646 589526188 /nfs/dbraw/zinc/52/61/88/589526188.db2.gz SWKUGWMYYWXRHB-PLNGDYQASA-N -1 3 226.323 0.125 20 0 BCADHM C/C=C/C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867565647 589526228 /nfs/dbraw/zinc/52/62/28/589526228.db2.gz SWKUGWMYYWXRHB-SNAWJCMRSA-N -1 3 226.323 0.125 20 0 BCADHM O=C(CCC1(O)CCC1)[N-]OC[C@H]1CCOC1 ZINC000867711259 589531537 /nfs/dbraw/zinc/53/15/37/589531537.db2.gz JQGZVOPUOWCFGL-JTQLQIEISA-N -1 3 243.303 0.766 20 0 BCADHM CC/C=C(\F)C(=O)[N-]OCCN(C)C ZINC000868629667 589569624 /nfs/dbraw/zinc/56/96/24/589569624.db2.gz RLSRSLJNISDJIH-YVMONPNESA-N -1 3 204.245 0.859 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CCC1(O)CCC1 ZINC000868726233 589574960 /nfs/dbraw/zinc/57/49/60/589574960.db2.gz HJZAERMTMQYLIG-SNVBAGLBSA-N -1 3 245.319 0.746 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H]1CCOC1=O ZINC000869098668 589588661 /nfs/dbraw/zinc/58/86/61/589588661.db2.gz JIZVYXONQFVEIM-YFKPBYRVSA-N -1 3 207.176 0.463 20 0 BCADHM CC/C=C(\F)C(=O)[N-]N1CCOC1=O ZINC000869405963 589604271 /nfs/dbraw/zinc/60/42/71/589604271.db2.gz HZWFHKYZPULJDC-UTCJRWHESA-N -1 3 202.185 0.733 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@H]1CCO[C@H]1C ZINC000869505189 589610405 /nfs/dbraw/zinc/61/04/05/589610405.db2.gz LLCYPXQTRLJNTI-JGVFFNPUSA-N -1 3 225.248 0.695 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@@H]1CCO[C@@H]1C ZINC000869505190 589610464 /nfs/dbraw/zinc/61/04/64/589610464.db2.gz LLCYPXQTRLJNTI-SFYZADRCSA-N -1 3 225.248 0.695 20 0 BCADHM C[S@@](=O)CCNC(=O)c1ccccc1[O-] ZINC000122806215 589633626 /nfs/dbraw/zinc/63/36/26/589633626.db2.gz RGJHDYWHVHEAAS-HNNXBMFYSA-N -1 3 227.285 0.501 20 0 BCADHM CC(=O)[N-]OCCCS(=O)(=O)C(C)(C)C ZINC000871729548 589799681 /nfs/dbraw/zinc/79/96/81/589799681.db2.gz SQXDJPXWOQDZTK-UHFFFAOYSA-N -1 3 237.321 0.658 20 0 BCADHM CCCCNC(=O)Cn1c([O-])c(C)oc1=O ZINC000871781849 589816286 /nfs/dbraw/zinc/81/62/86/589816286.db2.gz ICVIOLJLUVUUTM-ZETCQYMHSA-N -1 3 228.248 0.270 20 0 BCADHM CCCCNC(=O)Cn1c([O-])c(C)oc1=O ZINC000871781848 589816680 /nfs/dbraw/zinc/81/66/80/589816680.db2.gz ICVIOLJLUVUUTM-SSDOTTSWSA-N -1 3 228.248 0.270 20 0 BCADHM Cc1oc(=O)n(CC(=O)Nc2ccccc2)c1[O-] ZINC000871782350 589817563 /nfs/dbraw/zinc/81/75/63/589817563.db2.gz NSYHZXNYBYTPKE-QMMMGPOBSA-N -1 3 248.238 0.992 20 0 BCADHM Cc1[n-]n(CC(C)(C)CO)c(=O)c1F ZINC000871958300 589844779 /nfs/dbraw/zinc/84/47/79/589844779.db2.gz BUDWTHISEUEEIY-ZETCQYMHSA-N -1 3 202.229 0.561 20 0 BCADHM C[C@H]1CCc2[n-]n(CCS(C)(=O)=O)c(=O)c21 ZINC000871950334 589840322 /nfs/dbraw/zinc/84/03/22/589840322.db2.gz AJAAMYUUXCUZSB-CBAPKCEASA-N -1 3 244.316 0.275 20 0 BCADHM Cc1[n-]n([C@@H]2CCCOC2)c(=O)c1F ZINC000871957581 589843604 /nfs/dbraw/zinc/84/36/04/589843604.db2.gz IIBMKTALOWTYIU-HTQZYQBOSA-N -1 3 200.213 0.722 20 0 BCADHM Cc1[n-]n(CCCn2ccnc2)c(=O)c1F ZINC000871963706 589847383 /nfs/dbraw/zinc/84/73/83/589847383.db2.gz PZANUZICYITFIS-SECBINFHSA-N -1 3 224.239 0.829 20 0 BCADHM C[C@@H](N[C@@H]1COC[C@H]1O)c1cccc([O-])c1F ZINC000872076515 589865677 /nfs/dbraw/zinc/86/56/77/589865677.db2.gz MHSYIIMLHCEVQP-BCMRRPTOSA-N -1 3 241.262 0.942 20 0 BCADHM O=c1[n-]c(CN[C@]23CCC[C@H]2OCC3)n[nH]1 ZINC000872314858 589910090 /nfs/dbraw/zinc/91/00/90/589910090.db2.gz GMLPXOPTUXDZHD-XCBNKYQSSA-N -1 3 224.264 0.312 20 0 BCADHM COC(=O)CCNc1cc(Cl)n[n-]c1=O ZINC000872390985 589931033 /nfs/dbraw/zinc/93/10/33/589931033.db2.gz UVNTUTLAUUNBPL-UHFFFAOYSA-N -1 3 231.639 0.811 20 0 BCADHM CCCNC(=O)CNc1cc(Cl)n[n-]c1=O ZINC000872393860 589931598 /nfs/dbraw/zinc/93/15/98/589931598.db2.gz JDCNCIXBGPYRKY-UHFFFAOYSA-N -1 3 244.682 0.774 20 0 BCADHM C[C@@H](CO)Nc1cc(Cl)n[n-]c1=O ZINC000872403808 589935222 /nfs/dbraw/zinc/93/52/22/589935222.db2.gz SHXHJEOJXGPFOY-BYPYZUCNSA-N -1 3 203.629 0.628 20 0 BCADHM CC[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872430726 589939201 /nfs/dbraw/zinc/93/92/01/589939201.db2.gz YBXVBMCFQBNUOZ-CYBMUJFWSA-N -1 3 242.366 0.737 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CCCCN1 ZINC000872545373 589948137 /nfs/dbraw/zinc/94/81/37/589948137.db2.gz FAZXNZHGBJWJPH-UHFFFAOYSA-N -1 3 214.656 0.940 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CCO[C@H]2C[C@H]21 ZINC000872552462 589950046 /nfs/dbraw/zinc/95/00/46/589950046.db2.gz YWMZWHDKPCKYQD-VDTYLAMSSA-N -1 3 227.651 0.813 20 0 BCADHM CC(C)c1nnc([N-][C@@H]2COC[C@H]2O)o1 ZINC000872563410 589951328 /nfs/dbraw/zinc/95/13/28/589951328.db2.gz CCQZNGQQZJNBAY-RNFRBKRXSA-N -1 3 213.237 0.365 20 0 BCADHM CC(C)c1nnc([N-][C@H](CO)[C@@H](C)O)o1 ZINC000872570029 589952758 /nfs/dbraw/zinc/95/27/58/589952758.db2.gz JAWWUNMVROWFAX-RNFRBKRXSA-N -1 3 215.253 0.347 20 0 BCADHM O=c1[n-]nc(Cl)cc1NCC=CCO ZINC000872596303 589955053 /nfs/dbraw/zinc/95/50/53/589955053.db2.gz DICIEMIJENBDFG-OWOJBTEDSA-N -1 3 215.640 0.796 20 0 BCADHM Cc1ccc([O-])c(CNCC[S@@](C)=O)n1 ZINC000124162729 589957616 /nfs/dbraw/zinc/95/76/16/589957616.db2.gz MRGMYIMJOOSLSQ-HNNXBMFYSA-N -1 3 228.317 0.564 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-][C@@H]1CC12CCC2 ZINC000872650175 589958765 /nfs/dbraw/zinc/95/87/65/589958765.db2.gz RRGUEWJKVFGYSQ-SSDOTTSWSA-N -1 3 242.304 0.036 20 0 BCADHM N[C@@H]1CN(c2cc(Cl)[n-]c(=O)n2)CC[C@H]1F ZINC000872778241 589968905 /nfs/dbraw/zinc/96/89/05/589968905.db2.gz DQHPUOUZRYPPJP-PHDIDXHHSA-N -1 3 246.673 0.711 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCOC2=O)c1 ZINC000019836688 589989739 /nfs/dbraw/zinc/98/97/39/589989739.db2.gz RSLQWFHLWLEQDO-VIFPVBQESA-N -1 3 235.239 0.746 20 0 BCADHM CCN1CCN(CCCC(=O)[O-])CC1 ZINC000019832847 589990361 /nfs/dbraw/zinc/99/03/61/589990361.db2.gz OFJRZPODNRREPC-UHFFFAOYSA-N -1 3 200.282 0.489 20 0 BCADHM CO[C@H]1C[C@@H](COC(=O)c2n[n-]nc2C)C1 ZINC000873386924 590035635 /nfs/dbraw/zinc/03/56/35/590035635.db2.gz QFJVXGQNCSVWQJ-OCAPTIKFSA-N -1 3 225.248 0.695 20 0 BCADHM Cc1conc1COC(=O)c1n[n-]nc1C ZINC000873387112 590036071 /nfs/dbraw/zinc/03/60/71/590036071.db2.gz VJSQKLAMSXHRDX-UHFFFAOYSA-N -1 3 222.204 0.767 20 0 BCADHM Cn1cc(CN2CCC[C@H]2C(=O)[O-])cn1 ZINC000020315643 590098248 /nfs/dbraw/zinc/09/82/48/590098248.db2.gz NEVKRJCKDYEUQP-VIFPVBQESA-N -1 3 209.249 0.469 20 0 BCADHM O=C(CN1CCCC1)[N-]O[C@@H]1CCCCO1 ZINC000874262179 590100381 /nfs/dbraw/zinc/10/03/81/590100381.db2.gz LNICVZWWVVBWBT-LLVKDONJSA-N -1 3 228.292 0.657 20 0 BCADHM COc1cc(C)nc(CN[C@@H](C)C(=O)[O-])c1 ZINC000125983283 590202541 /nfs/dbraw/zinc/20/25/41/590202541.db2.gz KSNZTWVQPRRSBM-QMMMGPOBSA-N -1 3 224.260 0.961 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CC1CC(C)C1 ZINC000877889683 590440462 /nfs/dbraw/zinc/44/04/62/590440462.db2.gz KYCAEZPBPJEUKD-QJAFJHJLSA-N -1 3 246.332 0.440 20 0 BCADHM c1ccc(-c2nnn[n-]2)c(OCC2OCCO2)c1 ZINC000738423637 598913292 /nfs/dbraw/zinc/91/32/92/598913292.db2.gz RNLSYLPTBWGUJP-UHFFFAOYSA-N -1 3 248.242 0.618 20 0 BCADHM c1ccc(-c2nn[n-]n2)c(OCC2OCCO2)c1 ZINC000738423637 598913294 /nfs/dbraw/zinc/91/32/94/598913294.db2.gz RNLSYLPTBWGUJP-UHFFFAOYSA-N -1 3 248.242 0.618 20 0 BCADHM CO[C@H]1C[C@@H](CN(C)Cc2n[n-]c(=O)o2)C1 ZINC000878725950 590616603 /nfs/dbraw/zinc/61/66/03/590616603.db2.gz CLZYNIRCYYCOQC-OCAPTIKFSA-N -1 3 227.264 0.632 20 0 BCADHM Cc1nc(NC([O-])=NOCCO)cs1 ZINC000879015784 590678565 /nfs/dbraw/zinc/67/85/65/590678565.db2.gz CRHUFRBOXAPMIX-UHFFFAOYSA-N -1 3 217.250 0.497 20 0 BCADHM Cc1nc(NC(=O)[N-]OCCO)cs1 ZINC000879015784 590678569 /nfs/dbraw/zinc/67/85/69/590678569.db2.gz CRHUFRBOXAPMIX-UHFFFAOYSA-N -1 3 217.250 0.497 20 0 BCADHM CCc1ncsc1[N-]C(=O)c1nnn(C)n1 ZINC000879247189 590720881 /nfs/dbraw/zinc/72/08/81/590720881.db2.gz PIXYBDNGRPROLL-UHFFFAOYSA-N -1 3 238.276 0.481 20 0 BCADHM CCO[N-]C(=O)Nc1csc(C(N)=O)c1 ZINC000879741294 590859581 /nfs/dbraw/zinc/85/95/81/590859581.db2.gz ONKARISHWRJDMV-UHFFFAOYSA-N -1 3 229.261 0.920 20 0 BCADHM CN1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[n-]1 ZINC000880136930 590939229 /nfs/dbraw/zinc/93/92/29/590939229.db2.gz VCNORUSEZFBNPL-RKDXNWHRSA-N -1 3 237.307 0.179 20 0 BCADHM CC(F)(F)C(=O)[N-][C@H]1CS(=O)(=O)C1(C)C ZINC000880391829 591019014 /nfs/dbraw/zinc/01/90/14/591019014.db2.gz DIAJIYOPDPSSSF-YFKPBYRVSA-N -1 3 241.259 0.333 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC=C[C@H]2CO)n1 ZINC000880488366 591064664 /nfs/dbraw/zinc/06/46/64/591064664.db2.gz CZUQRRCOWFNWDE-JTQLQIEISA-N -1 3 235.287 0.477 20 0 BCADHM OC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000738390884 598944848 /nfs/dbraw/zinc/94/48/48/598944848.db2.gz TZOBEAICTCNLTF-VIFPVBQESA-N -1 3 246.274 0.445 20 0 BCADHM OC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000738390884 598944850 /nfs/dbraw/zinc/94/48/50/598944850.db2.gz TZOBEAICTCNLTF-VIFPVBQESA-N -1 3 246.274 0.445 20 0 BCADHM CCCC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880516181 591083958 /nfs/dbraw/zinc/08/39/58/591083958.db2.gz DXRKZERNKLLDLN-UHFFFAOYSA-N -1 3 227.289 0.887 20 0 BCADHM COc1cncc(NC([O-])=NOCCO)c1 ZINC000880552564 591090083 /nfs/dbraw/zinc/09/00/83/591090083.db2.gz ZFSLAZKJPCOGGD-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM COc1cncc(NC(=O)[N-]OCCO)c1 ZINC000880552564 591090088 /nfs/dbraw/zinc/09/00/88/591090088.db2.gz ZFSLAZKJPCOGGD-UHFFFAOYSA-N -1 3 227.220 0.136 20 0 BCADHM CCO[N-]C(=O)Nc1ccc(C(=O)OC)nc1 ZINC000880582044 591099897 /nfs/dbraw/zinc/09/98/97/591099897.db2.gz JWSXKZSAYDCYQP-UHFFFAOYSA-N -1 3 239.231 0.941 20 0 BCADHM O=C(NC1CSC1)c1ccc2n[n-]nc2c1 ZINC000880739706 591137252 /nfs/dbraw/zinc/13/72/52/591137252.db2.gz ROPASMMQSDWHBC-UHFFFAOYSA-N -1 3 234.284 0.803 20 0 BCADHM Cc1nn(C)cc1CN(C)CCC(=O)[O-] ZINC000128976558 591198648 /nfs/dbraw/zinc/19/86/48/591198648.db2.gz UIJWCKRBCHFEJS-UHFFFAOYSA-N -1 3 211.265 0.635 20 0 BCADHM O=C(C[N-]S(=O)(=O)C1CCC1)OCC1CC1 ZINC000881854732 591275005 /nfs/dbraw/zinc/27/50/05/591275005.db2.gz JBXHZGAZKIKIEN-UHFFFAOYSA-N -1 3 247.316 0.412 20 0 BCADHM C/C(=C/CN1CCC(C)(O)CC1)C(=O)[O-] ZINC000212067253 591299804 /nfs/dbraw/zinc/29/98/04/591299804.db2.gz NSUHFLFWARGCHZ-OQFOIZHKSA-N -1 3 213.277 0.864 20 0 BCADHM CCc1nn(C)cc1S(=O)(=O)[N-]CCF ZINC000882153341 591307488 /nfs/dbraw/zinc/30/74/88/591307488.db2.gz VEYWDRHSBNKDBQ-UHFFFAOYSA-N -1 3 235.284 0.230 20 0 BCADHM CCOC(CSCCc1nn[n-]n1)OCC ZINC000882187830 591313426 /nfs/dbraw/zinc/31/34/26/591313426.db2.gz BYDYFJRWWMSISO-UHFFFAOYSA-N -1 3 246.336 0.875 20 0 BCADHM CCOC(CSCCc1nnn[n-]1)OCC ZINC000882187830 591313423 /nfs/dbraw/zinc/31/34/23/591313423.db2.gz BYDYFJRWWMSISO-UHFFFAOYSA-N -1 3 246.336 0.875 20 0 BCADHM CC(C)OCCCn1c([O-])coc1=O ZINC000882275592 591324704 /nfs/dbraw/zinc/32/47/04/591324704.db2.gz MOYLATKWKGJNKC-UHFFFAOYSA-N -1 3 201.222 0.780 20 0 BCADHM C[C@@H](C(=O)C(C)(C)C)n1c([O-])coc1=O ZINC000882276339 591324812 /nfs/dbraw/zinc/32/48/12/591324812.db2.gz FRQGCAVEENYPAP-LURJTMIESA-N -1 3 213.233 0.969 20 0 BCADHM CC1(C)CC[C@H](n2c([O-])coc2=O)C1=O ZINC000882276559 591324909 /nfs/dbraw/zinc/32/49/09/591324909.db2.gz KRGYTZCDOHDZJG-LURJTMIESA-N -1 3 211.217 0.723 20 0 BCADHM Cc1noc(C)c1C(=O)Cn1c([O-])coc1=O ZINC000882275838 591324984 /nfs/dbraw/zinc/32/49/84/591324984.db2.gz CBUXXHJHJUZPOF-UHFFFAOYSA-N -1 3 238.199 0.453 20 0 BCADHM Cc1cc(Cn2c([O-])coc2=O)nc(C)n1 ZINC000882277139 591325498 /nfs/dbraw/zinc/32/54/98/591325498.db2.gz XLTQBECIUBVDOO-UHFFFAOYSA-N -1 3 221.216 0.572 20 0 BCADHM CC(C)C(=O)N(C)Cn1c([O-])coc1=O ZINC000882277074 591325673 /nfs/dbraw/zinc/32/56/73/591325673.db2.gz VKIDTPQCAJITAK-UHFFFAOYSA-N -1 3 214.221 0.037 20 0 BCADHM CCO[C@H](Cn1c([O-])coc1=O)C1CC1 ZINC000882276788 591325699 /nfs/dbraw/zinc/32/56/99/591325699.db2.gz OMURZBITWHALRT-MRVPVSSYSA-N -1 3 213.233 0.780 20 0 BCADHM Cn1nc(Cn2c([O-])coc2=O)cc1Cl ZINC000882277041 591325716 /nfs/dbraw/zinc/32/57/16/591325716.db2.gz UPEPCOKGEWGLNG-UHFFFAOYSA-N -1 3 229.623 0.552 20 0 BCADHM CCN1CC[C@@H]1CNC(=O)Cc1cncc([O-])c1 ZINC000882494184 591375436 /nfs/dbraw/zinc/37/54/36/591375436.db2.gz OGTALODRTGVQBT-LLVKDONJSA-N -1 3 249.314 0.540 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(c1nccnc1F)C2 ZINC000882666729 591409306 /nfs/dbraw/zinc/40/93/06/591409306.db2.gz PWRZLWAFXZDEQO-UHFFFAOYSA-N -1 3 247.233 0.940 20 0 BCADHM CC(C)(C)c1nnc([N-][C@@H]2COCC[C@H]2O)o1 ZINC000882690029 591412414 /nfs/dbraw/zinc/41/24/14/591412414.db2.gz JRIGRMRHVLKNOK-HTQZYQBOSA-N -1 3 241.291 0.929 20 0 BCADHM CCN1CC[C@@H]1C[N-]S(=O)(=O)c1ccco1 ZINC000882764888 591432564 /nfs/dbraw/zinc/43/25/64/591432564.db2.gz IQUSYYXRDJKBHA-SECBINFHSA-N -1 3 244.316 0.652 20 0 BCADHM CO[N-]C(=O)C[C@H](NC(C)=O)c1cccs1 ZINC000025826233 591442904 /nfs/dbraw/zinc/44/29/04/591442904.db2.gz ZICXHRANGIJGAT-QMMMGPOBSA-N -1 3 242.300 0.993 20 0 BCADHM CO[N-]C(=O)CCc1c(C)nc2ncnn2c1C ZINC000025823964 591442941 /nfs/dbraw/zinc/44/29/41/591442941.db2.gz FTVAKYRPTZOVIY-UHFFFAOYSA-N -1 3 249.274 0.351 20 0 BCADHM C/C(=C\CN1CCN(C)[C@H](C)C1)C(=O)[O-] ZINC000214568988 591635825 /nfs/dbraw/zinc/63/58/25/591635825.db2.gz WXJGVWOGMHTNJW-WXLQGSQKSA-N -1 3 212.293 0.653 20 0 BCADHM C/C(=C/CN1CCC(CC(N)=O)CC1)C(=O)[O-] ZINC000214748734 591781611 /nfs/dbraw/zinc/78/16/11/591781611.db2.gz VWHAALFEYPJENI-MBXJOHMKSA-N -1 3 240.303 0.605 20 0 BCADHM C[C@@H](CO)COC(=O)c1cccc2[n-]nnc21 ZINC000800207930 591839190 /nfs/dbraw/zinc/83/91/90/591839190.db2.gz IXINTLGMZOSJHT-ZETCQYMHSA-N -1 3 235.243 0.743 20 0 BCADHM C[C@@H](CO)COC(=O)c1cccc2nn[n-]c21 ZINC000800207930 591839185 /nfs/dbraw/zinc/83/91/85/591839185.db2.gz IXINTLGMZOSJHT-ZETCQYMHSA-N -1 3 235.243 0.743 20 0 BCADHM C[C@@H](CO)COC(=O)c1cccc2n[n-]nc21 ZINC000800207930 591839192 /nfs/dbraw/zinc/83/91/92/591839192.db2.gz IXINTLGMZOSJHT-ZETCQYMHSA-N -1 3 235.243 0.743 20 0 BCADHM O=C(O[C@@H]1CCOC1=O)c1cccc2nn[n-]c21 ZINC000800209572 591839702 /nfs/dbraw/zinc/83/97/02/591839702.db2.gz WXFVCSMGHKUTIU-MRVPVSSYSA-N -1 3 247.210 0.430 20 0 BCADHM O=C(O[C@@H]1CCOC1=O)c1cccc2[n-]nnc21 ZINC000800209572 591839705 /nfs/dbraw/zinc/83/97/05/591839705.db2.gz WXFVCSMGHKUTIU-MRVPVSSYSA-N -1 3 247.210 0.430 20 0 BCADHM O=C(O[C@@H]1CCOC1=O)c1cccc2n[n-]nc21 ZINC000800209572 591839708 /nfs/dbraw/zinc/83/97/08/591839708.db2.gz WXFVCSMGHKUTIU-MRVPVSSYSA-N -1 3 247.210 0.430 20 0 BCADHM N[C@H](CC1CC1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000884175329 591866564 /nfs/dbraw/zinc/86/65/64/591866564.db2.gz PRCWHIBSNXTUPW-ZJUUUORDSA-N -1 3 228.292 0.688 20 0 BCADHM O=C(OC[C@H]1C[C@]12CCOC2)c1cnn[n-]1 ZINC000884507657 591959953 /nfs/dbraw/zinc/95/99/53/591959953.db2.gz JJGDGQYWGPQLSJ-XCBNKYQSSA-N -1 3 223.232 0.388 20 0 BCADHM O=C(OC[C@H]1C[C@]12CCOC2)c1c[n-]nn1 ZINC000884507657 591959954 /nfs/dbraw/zinc/95/99/54/591959954.db2.gz JJGDGQYWGPQLSJ-XCBNKYQSSA-N -1 3 223.232 0.388 20 0 BCADHM O=C(OC[C@@H]1C[C@@]12CCOC2)c1cnn[n-]1 ZINC000884507656 591960221 /nfs/dbraw/zinc/96/02/21/591960221.db2.gz JJGDGQYWGPQLSJ-OIBJUYFYSA-N -1 3 223.232 0.388 20 0 BCADHM O=C(OC[C@@H]1C[C@@]12CCOC2)c1c[n-]nn1 ZINC000884507656 591960224 /nfs/dbraw/zinc/96/02/24/591960224.db2.gz JJGDGQYWGPQLSJ-OIBJUYFYSA-N -1 3 223.232 0.388 20 0 BCADHM CCc1nccc(NCCCc2c[n-][nH]c2=O)n1 ZINC000884557735 591978109 /nfs/dbraw/zinc/97/81/09/591978109.db2.gz YABODGKGNKZWHK-SECBINFHSA-N -1 3 247.302 0.963 20 0 BCADHM COCCO[N-]C(=O)Cc1ccccc1O ZINC000135146450 591992287 /nfs/dbraw/zinc/99/22/87/591992287.db2.gz NSFRMFKBDAOSED-UHFFFAOYSA-N -1 3 225.244 0.629 20 0 BCADHM O=S(=O)([N-]C(CF)CF)C1CCC1 ZINC000885413969 592076891 /nfs/dbraw/zinc/07/68/91/592076891.db2.gz PVXXDJGREGFXFD-UHFFFAOYSA-N -1 3 213.249 0.766 20 0 BCADHM O=S(=O)([N-][C@]12C[C@H]1COC2)c1cccs1 ZINC000885496332 592081930 /nfs/dbraw/zinc/08/19/30/592081930.db2.gz KYYDGQBTXFSMET-CBAPKCEASA-N -1 3 245.325 0.815 20 0 BCADHM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000217803340 592149412 /nfs/dbraw/zinc/14/94/12/592149412.db2.gz XTZAFCXUOIFVDQ-SZEHBUNVSA-N -1 3 238.287 0.060 20 0 BCADHM CCCNC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000218289892 592153704 /nfs/dbraw/zinc/15/37/04/592153704.db2.gz ZKXXFGIMSNVYGE-DTWKUNHWSA-N -1 3 228.292 0.308 20 0 BCADHM COC/C=C/C(=O)NCc1cncc([O-])c1 ZINC000886271441 592191932 /nfs/dbraw/zinc/19/19/32/592191932.db2.gz JJPKDIAESSXVEJ-NSCUHMNNSA-N -1 3 222.244 0.606 20 0 BCADHM CN1C(=O)CC[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886271317 592192143 /nfs/dbraw/zinc/19/21/43/592192143.db2.gz FANQARCSCQUHQS-SNVBAGLBSA-N -1 3 249.270 0.024 20 0 BCADHM C/C=C/[C@H](O)C(=O)NCc1cncc([O-])c1 ZINC000886272866 592192533 /nfs/dbraw/zinc/19/25/33/592192533.db2.gz FKHWQAKBMZSSKM-PBKGFPTLSA-N -1 3 222.244 0.340 20 0 BCADHM CC1(CC(=O)NCc2cncc([O-])c2)COC1 ZINC000886271561 592193066 /nfs/dbraw/zinc/19/30/66/592193066.db2.gz MUPXPDXOMYVZIH-UHFFFAOYSA-N -1 3 236.271 0.830 20 0 BCADHM COC[C@H](OC)C(=O)NCc1cncc([O-])c1 ZINC000886272877 592193325 /nfs/dbraw/zinc/19/33/25/592193325.db2.gz FQFWJJDNLBPDBD-JTQLQIEISA-N -1 3 240.259 0.065 20 0 BCADHM O=C(C[C@H]1CCCO1)NCc1cncc([O-])c1 ZINC000886273236 592193502 /nfs/dbraw/zinc/19/35/02/592193502.db2.gz QYVJWZYYIMJHNH-LLVKDONJSA-N -1 3 236.271 0.973 20 0 BCADHM O=C(COCC(F)F)NCc1cncc([O-])c1 ZINC000886273355 592193599 /nfs/dbraw/zinc/19/35/99/592193599.db2.gz VXQRMMLXEXYQCR-UHFFFAOYSA-N -1 3 246.213 0.685 20 0 BCADHM O=C(NCc1cncc([O-])c1)C1(F)CC1 ZINC000886273375 592193700 /nfs/dbraw/zinc/19/37/00/592193700.db2.gz WHZNCQAJKTXMHN-UHFFFAOYSA-N -1 3 210.208 0.906 20 0 BCADHM C[C@H](C(=O)NCc1cncc([O-])c1)N(C)C ZINC000886273391 592193815 /nfs/dbraw/zinc/19/38/15/592193815.db2.gz WUETVFQFMRKOPL-MRVPVSSYSA-N -1 3 223.276 0.354 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H]1CCC(=O)C1 ZINC000886272968 592194089 /nfs/dbraw/zinc/19/40/89/592194089.db2.gz IJZJCIICCPUTJE-VIFPVBQESA-N -1 3 234.255 0.773 20 0 BCADHM Cc1ccn(CC(=O)NCc2cncc([O-])c2)n1 ZINC000886274859 592194400 /nfs/dbraw/zinc/19/44/00/592194400.db2.gz FEGYHMKRAPAEAS-UHFFFAOYSA-N -1 3 246.270 0.609 20 0 BCADHM CC(=O)C1(C(=O)NCc2cncc([O-])c2)CC1 ZINC000886274862 592194419 /nfs/dbraw/zinc/19/44/19/592194419.db2.gz FRBACWNVPUIWEE-UHFFFAOYSA-N -1 3 234.255 0.773 20 0 BCADHM CCn1nncc1C(=O)NCc1cncc([O-])c1 ZINC000886275176 592194963 /nfs/dbraw/zinc/19/49/63/592194963.db2.gz QCLLMLHJQDLWRM-UHFFFAOYSA-N -1 3 247.258 0.329 20 0 BCADHM Cc1cn(C)nc1C(=O)NCc1cncc([O-])c1 ZINC000886275453 592195883 /nfs/dbraw/zinc/19/58/83/592195883.db2.gz ZKFAMDKZBJADBN-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CCC[C@@](C)(O)C(=O)NCc1cncc([O-])c1 ZINC000886277964 592196531 /nfs/dbraw/zinc/19/65/31/592196531.db2.gz ITXUENPJGXJHFR-GFCCVEGCSA-N -1 3 238.287 0.955 20 0 BCADHM CCC[C@H](O)C(=O)NCc1cncc([O-])c1 ZINC000886283042 592199048 /nfs/dbraw/zinc/19/90/48/592199048.db2.gz FRCZLUXVCIZWOH-JTQLQIEISA-N -1 3 224.260 0.564 20 0 BCADHM O=C(CN1CCCC1=O)NCc1cncc([O-])c1 ZINC000886281843 592199122 /nfs/dbraw/zinc/19/91/22/592199122.db2.gz MTIHZHWHDWWNFW-UHFFFAOYSA-N -1 3 249.270 0.026 20 0 BCADHM CCCNC(=O)[C@@H](C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000219522980 592226883 /nfs/dbraw/zinc/22/68/83/592226883.db2.gz AYFAJGRCCDRVHH-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM O=C(NCC[C@H]1CCCC[C@H]1O)c1c[n-]nn1 ZINC000887545878 592522457 /nfs/dbraw/zinc/52/24/57/592522457.db2.gz SLNVPTMMHXPJPH-PSASIEDQSA-N -1 3 238.291 0.476 20 0 BCADHM O=C(NCC[C@H]1CCCC[C@H]1O)c1cnn[n-]1 ZINC000887545878 592522460 /nfs/dbraw/zinc/52/24/60/592522460.db2.gz SLNVPTMMHXPJPH-PSASIEDQSA-N -1 3 238.291 0.476 20 0 BCADHM O=C(NCC[C@H]1CCCC[C@H]1O)c1cn[n-]n1 ZINC000887545878 592522462 /nfs/dbraw/zinc/52/24/62/592522462.db2.gz SLNVPTMMHXPJPH-PSASIEDQSA-N -1 3 238.291 0.476 20 0 BCADHM C[C@@H]1CO[C@@H](C(=O)[N-]C2=NCCS2)C1 ZINC000887914813 592558447 /nfs/dbraw/zinc/55/84/47/592558447.db2.gz RRDXEFXJSBDYCF-NKWVEPMBSA-N -1 3 214.290 0.630 20 0 BCADHM CCON=C([O-])Nc1cc(C(=O)OC)n(C)n1 ZINC000889071663 592579178 /nfs/dbraw/zinc/57/91/78/592579178.db2.gz IWSVXORLHHYNOQ-UHFFFAOYSA-N -1 3 242.235 0.280 20 0 BCADHM CCO[N-]C(=O)Nc1cc(C(=O)OC)n(C)n1 ZINC000889071663 592579181 /nfs/dbraw/zinc/57/91/81/592579181.db2.gz IWSVXORLHHYNOQ-UHFFFAOYSA-N -1 3 242.235 0.280 20 0 BCADHM Cn1nnc([N-]C(=O)c2cnc(C3CC3)o2)n1 ZINC000889622227 592632008 /nfs/dbraw/zinc/63/20/08/592632008.db2.gz FWUPKGBKZREIJG-UHFFFAOYSA-N -1 3 234.219 0.328 20 0 BCADHM CSc1ccc(C(=O)[N-]c2nnn(C)n2)o1 ZINC000889631060 592635487 /nfs/dbraw/zinc/63/54/87/592635487.db2.gz CSCFTXUKKBRVJW-UHFFFAOYSA-N -1 3 239.260 0.777 20 0 BCADHM C[C@@H](CNC(=O)[O-])N(C)C[C@H]1CCCO1 ZINC000738941039 602558695 /nfs/dbraw/zinc/55/86/95/602558695.db2.gz SKMMMSILKHCCKH-DTWKUNHWSA-N -1 3 216.281 0.753 20 0 BCADHM COC(=O)C1CCN(CCCNC(=O)[O-])CC1 ZINC000739757552 602666784 /nfs/dbraw/zinc/66/67/84/602666784.db2.gz YSYDECVMSIZLRF-UHFFFAOYSA-N -1 3 244.291 0.529 20 0 BCADHM CN(CCC(=O)[O-])C(=O)NC[C@@H]1CCCN1C ZINC000225873169 596991395 /nfs/dbraw/zinc/99/13/95/596991395.db2.gz NVNSLNIFVILXHD-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CN(CCC(=O)[O-])C(=O)NC[C@H]1CCCN1C ZINC000225873186 596991692 /nfs/dbraw/zinc/99/16/92/596991692.db2.gz NVNSLNIFVILXHD-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM CCCNC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000037933138 597002953 /nfs/dbraw/zinc/00/29/53/597002953.db2.gz DYLLGEVODRYXHM-QMMMGPOBSA-N -1 3 216.281 0.308 20 0 BCADHM C[C@@H](C(=O)NC1CC1)N(C)CCC(=O)[O-] ZINC000037933157 597002817 /nfs/dbraw/zinc/00/28/17/597002817.db2.gz XRKWZVDGTGYFGB-ZETCQYMHSA-N -1 3 214.265 0.060 20 0 BCADHM CN(CCCC(=O)[O-])CC(=O)NC(C)(C)C ZINC000042717068 597060928 /nfs/dbraw/zinc/06/09/28/597060928.db2.gz QQAJSIHKQTYHFZ-UHFFFAOYSA-N -1 3 230.308 0.698 20 0 BCADHM C[C@@H](NCc1nccn1C(F)F)C(=O)[O-] ZINC000035387427 597072336 /nfs/dbraw/zinc/07/23/36/597072336.db2.gz LQSCTPCUEYVXCE-RXMQYKEDSA-N -1 3 219.191 0.841 20 0 BCADHM CCN(C)C(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000054298777 597079191 /nfs/dbraw/zinc/07/91/91/597079191.db2.gz QQDRRRPVVVURGA-SNVBAGLBSA-N -1 3 242.319 0.651 20 0 BCADHM CCN(C)C(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000054298780 597079211 /nfs/dbraw/zinc/07/92/11/597079211.db2.gz QQDRRRPVVVURGA-JTQLQIEISA-N -1 3 242.319 0.651 20 0 BCADHM C[C@H](NCc1cn2ccccc2n1)C(=O)[O-] ZINC000035186318 597303455 /nfs/dbraw/zinc/30/34/55/597303455.db2.gz XHBCBWJAKUHFES-QMMMGPOBSA-N -1 3 219.244 0.897 20 0 BCADHM OCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000095152349 607302565 /nfs/dbraw/zinc/30/25/65/607302565.db2.gz XSFYVHIISWYBDD-UHFFFAOYSA-N -1 3 223.211 0.410 20 0 BCADHM CN1CCC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000257684917 597497050 /nfs/dbraw/zinc/49/70/50/597497050.db2.gz KLSWANIDCXGZGY-DTWKUNHWSA-N -1 3 226.276 0.014 20 0 BCADHM CC(C)N(C)CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000309709198 597499871 /nfs/dbraw/zinc/49/98/71/597499871.db2.gz WMZMLWGHTOPFJM-VIFPVBQESA-N -1 3 228.292 0.260 20 0 BCADHM Cc1ncc(CN2CC[C@H](C(=O)[O-])C2)cn1 ZINC000257657422 597536488 /nfs/dbraw/zinc/53/64/88/597536488.db2.gz IAHGFAMNDDBGGW-JTQLQIEISA-N -1 3 221.260 0.692 20 0 BCADHM CN(C)C(=O)CN(C)CCCCC(=O)[O-] ZINC000037271213 597767288 /nfs/dbraw/zinc/76/72/88/597767288.db2.gz XLROIYJKZDYDKC-UHFFFAOYSA-N -1 3 216.281 0.261 20 0 BCADHM CN(CCCC(=O)[O-])C[C@@H](O)C(F)(F)F ZINC000082681331 597806287 /nfs/dbraw/zinc/80/62/87/597806287.db2.gz LUAHNSYCCWYIIT-ZCFIWIBFSA-N -1 3 229.198 0.706 20 0 BCADHM Cn1ccnc1CNCCCCC(=O)[O-] ZINC000236085108 598166052 /nfs/dbraw/zinc/16/60/52/598166052.db2.gz LBIXFFYSRVRMQJ-UHFFFAOYSA-N -1 3 211.265 0.765 20 0 BCADHM COC(=O)c1ccc(CNCCC(=O)[O-])o1 ZINC000037252637 598193053 /nfs/dbraw/zinc/19/30/53/598193053.db2.gz HJYUCHXICDIJJU-UHFFFAOYSA-N -1 3 227.216 0.631 20 0 BCADHM O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000095233084 598243771 /nfs/dbraw/zinc/24/37/71/598243771.db2.gz XEOHGNLDGQJWIX-SNVBAGLBSA-N -1 3 231.259 0.438 20 0 BCADHM c1cnc(N[C@@H]2CCCOC2)c(-c2nn[n-]n2)c1 ZINC000738446417 598365759 /nfs/dbraw/zinc/36/57/59/598365759.db2.gz YPXLHZGGUULKBW-MRVPVSSYSA-N -1 3 246.274 0.853 20 0 BCADHM c1cnc(N[C@@H]2CCCOC2)c(-c2nnn[n-]2)c1 ZINC000738446417 598365757 /nfs/dbraw/zinc/36/57/57/598365757.db2.gz YPXLHZGGUULKBW-MRVPVSSYSA-N -1 3 246.274 0.853 20 0 BCADHM CCNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000095301224 598415063 /nfs/dbraw/zinc/41/50/63/598415063.db2.gz RFIYJFILJWLPQJ-UHFFFAOYSA-N -1 3 246.274 0.415 20 0 BCADHM OC1CN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000738388478 598507171 /nfs/dbraw/zinc/50/71/71/598507171.db2.gz GEPRCAFAQGLPQN-UHFFFAOYSA-N -1 3 235.222 0.187 20 0 BCADHM OC1CN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000738388478 598507173 /nfs/dbraw/zinc/50/71/73/598507173.db2.gz GEPRCAFAQGLPQN-UHFFFAOYSA-N -1 3 235.222 0.187 20 0 BCADHM OC1(CNc2ncccc2-c2nnn[n-]2)CCC1 ZINC000095220170 598628155 /nfs/dbraw/zinc/62/81/55/598628155.db2.gz CLYJFAANWVJWMM-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM OC1(CNc2ncccc2-c2nn[n-]n2)CCC1 ZINC000095220170 598628157 /nfs/dbraw/zinc/62/81/57/598628157.db2.gz CLYJFAANWVJWMM-UHFFFAOYSA-N -1 3 246.274 0.589 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095252928 598804477 /nfs/dbraw/zinc/80/44/77/598804477.db2.gz KEPDHHBGGDTMKR-SVRRBLITSA-N -1 3 244.258 0.856 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095252928 598804478 /nfs/dbraw/zinc/80/44/78/598804478.db2.gz KEPDHHBGGDTMKR-SVRRBLITSA-N -1 3 244.258 0.856 20 0 BCADHM CC(=O)NCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000095131361 599302619 /nfs/dbraw/zinc/30/26/19/599302619.db2.gz XLMBQDBPJYIRNV-UHFFFAOYSA-N -1 3 246.274 0.415 20 0 BCADHM CC[C@@H]1CCCN1CC(=O)NCC(=O)[O-] ZINC000381255028 599787512 /nfs/dbraw/zinc/78/75/12/599787512.db2.gz QMPAKBJRPWUADH-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM CC(C)C(=O)N1CCCN(CCC(=O)[O-])CC1 ZINC000071727330 599787521 /nfs/dbraw/zinc/78/75/21/599787521.db2.gz IWWSLMRKTLXAKF-UHFFFAOYSA-N -1 3 242.319 0.651 20 0 BCADHM CNC(=O)[C@H]1CCCCN1CCC(=O)[O-] ZINC000042423078 599799985 /nfs/dbraw/zinc/79/99/85/599799985.db2.gz FGIAOQNMCUAJIW-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM O=C([O-])c1ccoc1CN1CCC[C@@H]1CO ZINC000042433086 599813054 /nfs/dbraw/zinc/81/30/54/599813054.db2.gz IGMRLBVUWVFCQY-MRVPVSSYSA-N -1 3 225.244 0.935 20 0 BCADHM CC(C)N(C)CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000309664871 600069632 /nfs/dbraw/zinc/06/96/32/600069632.db2.gz HGJTXSAGTWZVFV-SECBINFHSA-N -1 3 228.292 0.402 20 0 BCADHM CCCNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000041805560 600148823 /nfs/dbraw/zinc/14/88/23/600148823.db2.gz ROKPIMKJFMIRAR-UHFFFAOYSA-N -1 3 242.319 0.890 20 0 BCADHM O=C(CNC1(C(=O)[O-])CCCCC1)NC1CC1 ZINC000041805706 600148855 /nfs/dbraw/zinc/14/88/55/600148855.db2.gz WMHQINKYYODVGP-UHFFFAOYSA-N -1 3 240.303 0.642 20 0 BCADHM CCN1CCC[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC000250247222 600160696 /nfs/dbraw/zinc/16/06/96/600160696.db2.gz IBPFXKVXFOKTEU-GUBZILKMSA-N -1 3 240.303 0.308 20 0 BCADHM CC(C)N(CCC(=O)[O-])CC(=O)NCC1CC1 ZINC000037596097 600221824 /nfs/dbraw/zinc/22/18/24/600221824.db2.gz YCPVLQXVLILQFQ-UHFFFAOYSA-N -1 3 242.319 0.698 20 0 BCADHM CC1(C)CN(CCCC(=O)[O-])CCO1 ZINC000036232791 600222781 /nfs/dbraw/zinc/22/27/81/600222781.db2.gz MOWXVHUBFNYYIL-UHFFFAOYSA-N -1 3 201.266 0.962 20 0 BCADHM CN(CCCC(=O)[O-])CC(=O)N1CCCC1 ZINC000042317539 600222834 /nfs/dbraw/zinc/22/28/34/600222834.db2.gz POGSLNAJWIFNDZ-UHFFFAOYSA-N -1 3 228.292 0.405 20 0 BCADHM CCN(CCCC(=O)[O-])CC(=O)N(C)C ZINC000042516329 600224025 /nfs/dbraw/zinc/22/40/25/600224025.db2.gz XRLXBXOXXSYHLO-UHFFFAOYSA-N -1 3 216.281 0.261 20 0 BCADHM CCC[C@@](C)(NCc1nncn1C)C(=O)[O-] ZINC000050422685 600319986 /nfs/dbraw/zinc/31/99/86/600319986.db2.gz NDISWOOAVPIPBQ-SNVBAGLBSA-N -1 3 226.280 0.548 20 0 BCADHM CC(C)CNC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000250553115 600371846 /nfs/dbraw/zinc/37/18/46/600371846.db2.gz AGPQTEHEXBFSEH-UWVGGRQHSA-N -1 3 244.335 0.800 20 0 BCADHM CCCCNC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000249810085 600373946 /nfs/dbraw/zinc/37/39/46/600373946.db2.gz BSIVXYGSBSVCOA-UWVGGRQHSA-N -1 3 244.335 0.944 20 0 BCADHM C[C@H](C(=O)N[C@@H](C)C(=O)[O-])N1CCCCCC1 ZINC000032025494 600387513 /nfs/dbraw/zinc/38/75/13/600387513.db2.gz ZLDDRZYQBHVEMH-VHSXEESVSA-N -1 3 242.319 0.840 20 0 BCADHM O=C([O-])c1ccoc1CN1CC[C@H](CO)C1 ZINC000165896870 600622663 /nfs/dbraw/zinc/62/26/63/600622663.db2.gz IRRGAALNZXGELY-QMMMGPOBSA-N -1 3 225.244 0.792 20 0 BCADHM C[C@@H]1COC[C@@H](C)N1CCCC(=O)[O-] ZINC000308544846 600718874 /nfs/dbraw/zinc/71/88/74/600718874.db2.gz VNZPAGRABZPWBF-RKDXNWHRSA-N -1 3 201.266 0.960 20 0 BCADHM Cn1cc(CNC2CCC(C(=O)[O-])CC2)nn1 ZINC000236111504 600808276 /nfs/dbraw/zinc/80/82/76/600808276.db2.gz OZBKOWMGFZOGFG-UHFFFAOYSA-N -1 3 238.291 0.548 20 0 BCADHM C[C@@H](C(=O)NC1CC1)N1CCC[C@H](C(=O)[O-])C1 ZINC000035083993 600843876 /nfs/dbraw/zinc/84/38/76/600843876.db2.gz VDOGWBBZXSGVOS-IUCAKERBSA-N -1 3 240.303 0.450 20 0 BCADHM C[C@@H](O)CN(C)Cc1ccoc1C(=O)[O-] ZINC000051821543 600979035 /nfs/dbraw/zinc/97/90/35/600979035.db2.gz PIBCDOIUAMHIGS-SSDOTTSWSA-N -1 3 213.233 0.790 20 0 BCADHM CCN1CCN(C/C=C(/C)C(=O)[O-])CC1 ZINC000084002110 601153352 /nfs/dbraw/zinc/15/33/52/601153352.db2.gz PICULYGVEZUDMI-WMZJFQQLSA-N -1 3 212.293 0.655 20 0 BCADHM C/C(=C\CN1CCC(NC(N)=O)CC1)C(=O)[O-] ZINC000702132892 601152698 /nfs/dbraw/zinc/15/26/98/601152698.db2.gz PUFGBVVCKXUNQT-KRXBUXKQSA-N -1 3 241.291 0.150 20 0 BCADHM Cn1cnnc1CN[C@](C)(C(=O)[O-])C1CC1 ZINC000050422532 601171649 /nfs/dbraw/zinc/17/16/49/601171649.db2.gz XADSHGIDGBQCCS-JTQLQIEISA-N -1 3 224.264 0.158 20 0 BCADHM C[C@@]1(O)CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000235461733 601182356 /nfs/dbraw/zinc/18/23/56/601182356.db2.gz MGEZYERTHZVGKG-LLVKDONJSA-N -1 3 225.244 0.935 20 0 BCADHM C[C@@H](CN(C)Cc1cncn1C)C(=O)[O-] ZINC000085182694 601317493 /nfs/dbraw/zinc/31/74/93/601317493.db2.gz XGQLRMYDDMEFIL-QMMMGPOBSA-N -1 3 211.265 0.573 20 0 BCADHM CCCC[C@H](C(=O)[O-])N1C[C@H](O)C[C@H](O)C1 ZINC000829284789 601450074 /nfs/dbraw/zinc/45/00/74/601450074.db2.gz FTVRLFDBGVQHSB-KXUCPTDWSA-N -1 3 231.292 0.057 20 0 BCADHM COc1ccc(CN(C)CC(=O)[O-])cn1 ZINC000166895131 601598283 /nfs/dbraw/zinc/59/82/83/601598283.db2.gz LVOXYLLKXHWPQX-UHFFFAOYSA-N -1 3 210.233 0.607 20 0 BCADHM CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)[O-])N(C)C ZINC000308847671 601614618 /nfs/dbraw/zinc/61/46/18/601614618.db2.gz MVFKRBCYLXYXEG-YUMQZZPRSA-N -1 3 216.281 0.162 20 0 BCADHM CCCN(C)CC(=O)N(CC(=O)[O-])C1CC1 ZINC000737826513 601745309 /nfs/dbraw/zinc/74/53/09/601745309.db2.gz OFCUMVWHDPEMDT-UHFFFAOYSA-N -1 3 228.292 0.404 20 0 BCADHM CCCCNC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000062935171 601915252 /nfs/dbraw/zinc/91/52/52/601915252.db2.gz AVTLANZUYSUVFE-GFCCVEGCSA-N -1 3 242.319 0.699 20 0 BCADHM Cn1cc(CN2CC[C@H](CNC(=O)[O-])C2)cn1 ZINC000740285782 601934834 /nfs/dbraw/zinc/93/48/34/601934834.db2.gz HELQBKUJBABUDE-SECBINFHSA-N -1 3 238.291 0.510 20 0 BCADHM C[C@@H](CN1CCC[C@@H]1C(=O)[O-])CS(C)(=O)=O ZINC000705560044 601940415 /nfs/dbraw/zinc/94/04/15/601940415.db2.gz BHVLQVPIZSNYDI-DTWKUNHWSA-N -1 3 249.332 0.216 20 0 BCADHM COC(=O)CCN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739762439 601973616 /nfs/dbraw/zinc/97/36/16/601973616.db2.gz QPAUYRIJDXMASQ-SECBINFHSA-N -1 3 244.291 0.624 20 0 BCADHM CC(=O)N1CCN(CCCC(=O)[O-])[C@H](C)C1 ZINC000309523040 602019747 /nfs/dbraw/zinc/01/97/47/602019747.db2.gz AQVXQMBNZRMAGR-SECBINFHSA-N -1 3 228.292 0.404 20 0 BCADHM CCNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739460264 602047463 /nfs/dbraw/zinc/04/74/63/602047463.db2.gz HXTNCSPRDTYGEU-IUCAKERBSA-N -1 3 243.307 0.243 20 0 BCADHM O=C([O-])N(CCNCc1cn[nH]c1)C1CC1 ZINC000740488709 602056855 /nfs/dbraw/zinc/05/68/55/602056855.db2.gz IXLVMBRAFIFSMF-UHFFFAOYSA-N -1 3 224.264 0.642 20 0 BCADHM CC(C)[C@H](C(=O)N[C@@H](C)C(=O)[O-])N(C)C ZINC000308847669 602110376 /nfs/dbraw/zinc/11/03/76/602110376.db2.gz MVFKRBCYLXYXEG-JGVFFNPUSA-N -1 3 216.281 0.162 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCCN(C)C1 ZINC000258629448 602149907 /nfs/dbraw/zinc/14/99/07/602149907.db2.gz CWKQPCIIHGDJFX-BDAKNGLRSA-N -1 3 228.292 0.308 20 0 BCADHM Cc1ncc(CNC(C)(C)CNC(=O)[O-])cn1 ZINC000740233192 602318358 /nfs/dbraw/zinc/31/83/58/602318358.db2.gz UIPLMLGTVYECQE-UHFFFAOYSA-N -1 3 238.291 0.921 20 0 BCADHM CCN1CCCC[C@@H]1C(=O)NCCNC(=O)[O-] ZINC000739456232 602452725 /nfs/dbraw/zinc/45/27/25/602452725.db2.gz RKPVFBMDXYZQGV-SECBINFHSA-N -1 3 243.307 0.245 20 0 BCADHM CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000739406853 602537282 /nfs/dbraw/zinc/53/72/82/602537282.db2.gz HUTIYXOADZTCAS-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM CN1CCN(CCCCNC(=O)[O-])CC1 ZINC000739736107 602666641 /nfs/dbraw/zinc/66/66/41/602666641.db2.gz APVCLDWIGBKZJW-UHFFFAOYSA-N -1 3 215.297 0.282 20 0 BCADHM C[C@H]1CN(C(=O)[O-])CCN1C[C@@H]1CCOC1 ZINC000739161216 602736456 /nfs/dbraw/zinc/73/64/56/602736456.db2.gz OUCXIYLPRKOPDO-UWVGGRQHSA-N -1 3 228.292 0.707 20 0 BCADHM CC[C@H](NC(=O)[O-])C(=O)NC[C@H]1CCCN1C ZINC000739530758 602796471 /nfs/dbraw/zinc/79/64/71/602796471.db2.gz JYQAAZSADRHOGQ-BDAKNGLRSA-N -1 3 243.307 0.243 20 0 BCADHM Cn1cncc1CN[C@@H]1CCN(C(=O)[O-])C1 ZINC000740296093 602876853 /nfs/dbraw/zinc/87/68/53/602876853.db2.gz VALMNZQURFMFAV-MRVPVSSYSA-N -1 3 224.264 0.262 20 0 BCADHM CC[C@H](O)CN1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739271632 602938363 /nfs/dbraw/zinc/93/83/63/602938363.db2.gz PMGRPKIPEYHQDL-AEJSXWLSSA-N -1 3 230.308 0.830 20 0 BCADHM C[C@H]1CC[C@H](C)N1CC(=O)NCCNC(=O)[O-] ZINC000739089955 602973510 /nfs/dbraw/zinc/97/35/10/602973510.db2.gz MLXNMMJELKXDSD-IUCAKERBSA-N -1 3 243.307 0.243 20 0 BCADHM Cc1n[nH]cc1CN[C@H](CNC(=O)[O-])C1CC1 ZINC000740208556 603071939 /nfs/dbraw/zinc/07/19/39/603071939.db2.gz OFFHLKLVZGRCSF-SNVBAGLBSA-N -1 3 238.291 0.854 20 0 BCADHM O=C([O-])NC[C@H](NCc1cn[nH]c1)C1CC1 ZINC000740614406 603073222 /nfs/dbraw/zinc/07/32/22/603073222.db2.gz RYKNZTURZPWJMS-VIFPVBQESA-N -1 3 224.264 0.546 20 0 BCADHM COC1CCN(CCNC(=O)[O-])CC1 ZINC000739806343 603082731 /nfs/dbraw/zinc/08/27/31/603082731.db2.gz RVYGYWHIDXWVKW-UHFFFAOYSA-N -1 3 202.254 0.365 20 0 BCADHM CC(C)[C@H](CNC(=O)[O-])N1CCN(C)CC1 ZINC000736350918 603121042 /nfs/dbraw/zinc/12/10/42/603121042.db2.gz BJZOEEIFOKMVPV-JTQLQIEISA-N -1 3 229.324 0.526 20 0 BCADHM C[C@@H](NC(=O)[O-])C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000738976045 603286017 /nfs/dbraw/zinc/28/60/17/603286017.db2.gz CKYGOFKVOPUPBF-RKDXNWHRSA-N -1 3 243.307 0.195 20 0 BCADHM CCCN(C)CC(=O)NCC(C)(C)NC(=O)[O-] ZINC000826892491 603667111 /nfs/dbraw/zinc/66/71/11/603667111.db2.gz IGESYFOOMXMSJP-UHFFFAOYSA-N -1 3 245.323 0.491 20 0 BCADHM O=C(NC1CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826428679 607681701 /nfs/dbraw/zinc/68/17/01/607681701.db2.gz ILCGUVVKEMRALT-UHFFFAOYSA-N -1 3 218.220 0.087 20 0 BCADHM O=C(NC1CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826428679 607681702 /nfs/dbraw/zinc/68/17/02/607681702.db2.gz ILCGUVVKEMRALT-UHFFFAOYSA-N -1 3 218.220 0.087 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CCc2ccncc2)C1 ZINC000740595150 604382381 /nfs/dbraw/zinc/38/23/81/604382381.db2.gz CSYZXFLAHDPBEW-LLVKDONJSA-N -1 3 235.287 0.966 20 0 BCADHM O=C([O-])c1ccc(CN[C@H]2CCNC2=O)cc1 ZINC000693938518 604400258 /nfs/dbraw/zinc/40/02/58/604400258.db2.gz MLOARGXLDXJPAJ-JTQLQIEISA-N -1 3 234.255 0.363 20 0 BCADHM O=C([O-])[C@@H]1CC12CCN([C@H]1CCNC1=O)CC2 ZINC000691470984 604422215 /nfs/dbraw/zinc/42/22/15/604422215.db2.gz CWYJAAYZASHMSR-IUCAKERBSA-N -1 3 238.287 0.062 20 0 BCADHM CN(CCS(C)(=O)=O)C1(C(=O)[O-])CCCC1 ZINC000309236472 604454553 /nfs/dbraw/zinc/45/45/53/604454553.db2.gz LPWVCLNUCRHKGC-UHFFFAOYSA-N -1 3 249.332 0.360 20 0 BCADHM O=C([O-])CCN1CCN(CCCF)CC1 ZINC000088026040 604467146 /nfs/dbraw/zinc/46/71/46/604467146.db2.gz OFCPDVAVVKKPAQ-UHFFFAOYSA-N -1 3 218.272 0.438 20 0 BCADHM C[C@H]1CN([C@@H](C(=O)[O-])c2cccnc2)CCN1C ZINC000251781210 604930067 /nfs/dbraw/zinc/93/00/67/604930067.db2.gz MYJZLGHGLWDPQU-CMPLNLGQSA-N -1 3 249.314 0.843 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1Cc1ccc(C(=O)[O-])o1 ZINC000385017572 604933621 /nfs/dbraw/zinc/93/36/21/604933621.db2.gz UDCPOKBMXWYXEZ-HTQZYQBOSA-N -1 3 225.244 0.933 20 0 BCADHM CCC[C@H](C(=O)NC1CN(C(=O)[O-])C1)N(C)C ZINC000833648842 605056950 /nfs/dbraw/zinc/05/69/50/605056950.db2.gz YFCMYTHUTZKNNS-SECBINFHSA-N -1 3 243.307 0.195 20 0 BCADHM CCC[C@@H](C(=O)N[C@@H](C)C(=O)[O-])N(C)C ZINC000820304720 605145023 /nfs/dbraw/zinc/14/50/23/605145023.db2.gz WRDIRWAAWSIYOB-YUMQZZPRSA-N -1 3 216.281 0.306 20 0 BCADHM CN1CCCN(c2cncc(C(=O)[O-])n2)CC1 ZINC000091418905 605165758 /nfs/dbraw/zinc/16/57/58/605165758.db2.gz PBPHJTILWWGMQL-UHFFFAOYSA-N -1 3 236.275 0.317 20 0 BCADHM CN(CCO)Cc1ccc(OCC(=O)[O-])cc1 ZINC000077011330 605292875 /nfs/dbraw/zinc/29/28/75/605292875.db2.gz QPCMCSRJTZVBBW-UHFFFAOYSA-N -1 3 239.271 0.574 20 0 BCADHM Cn1cc(CCN2CC[C@H](NC(=O)[O-])C2)cn1 ZINC000740286207 605920846 /nfs/dbraw/zinc/92/08/46/605920846.db2.gz KASDIUQGQNUEDV-JTQLQIEISA-N -1 3 238.291 0.305 20 0 BCADHM CC(C)N(CCO)c1ccc(-c2nnn[n-]2)cn1 ZINC000095150437 606644133 /nfs/dbraw/zinc/64/41/33/606644133.db2.gz GPRCBXXYGJZNLQ-UHFFFAOYSA-N -1 3 248.290 0.469 20 0 BCADHM CC(C)N(CCO)c1ccc(-c2nn[n-]n2)cn1 ZINC000095150437 606644134 /nfs/dbraw/zinc/64/41/34/606644134.db2.gz GPRCBXXYGJZNLQ-UHFFFAOYSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@@H](O)CCNc1ncccc1-c1nnn[n-]1 ZINC000095225358 607127098 /nfs/dbraw/zinc/12/70/98/607127098.db2.gz MEZJUGUNLHMRSN-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](O)CCNc1ncccc1-c1nn[n-]n1 ZINC000095225358 607127100 /nfs/dbraw/zinc/12/71/00/607127100.db2.gz MEZJUGUNLHMRSN-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM OCCOc1ccc(-c2nn[n-]n2)cc1F ZINC000095152396 607170152 /nfs/dbraw/zinc/17/01/52/607170152.db2.gz LOJGDSBERMJFGI-UHFFFAOYSA-N -1 3 224.195 0.377 20 0 BCADHM OCCOc1ccc(-c2nnn[n-]2)cc1F ZINC000095152396 607170151 /nfs/dbraw/zinc/17/01/51/607170151.db2.gz LOJGDSBERMJFGI-UHFFFAOYSA-N -1 3 224.195 0.377 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](O)C2)n1 ZINC000095322793 607227977 /nfs/dbraw/zinc/22/79/77/607227977.db2.gz WYAYGGOONZHNDD-MRVPVSSYSA-N -1 3 246.274 0.141 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](O)C2)n1 ZINC000095322793 607227978 /nfs/dbraw/zinc/22/79/78/607227978.db2.gz WYAYGGOONZHNDD-MRVPVSSYSA-N -1 3 246.274 0.141 20 0 BCADHM C[C@@H](O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000095203043 608213951 /nfs/dbraw/zinc/21/39/51/608213951.db2.gz ADPYGALSOAQMEF-ZCFIWIBFSA-N -1 3 233.231 0.186 20 0 BCADHM C[C@@H](O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000095203043 608213952 /nfs/dbraw/zinc/21/39/52/608213952.db2.gz ADPYGALSOAQMEF-ZCFIWIBFSA-N -1 3 233.231 0.186 20 0 BCADHM Cc1ccnc(N2CCOCC2)c1-c1nnn[n-]1 ZINC000095344788 609516071 /nfs/dbraw/zinc/51/60/71/609516071.db2.gz UMSMFKUPSUVHHW-UHFFFAOYSA-N -1 3 246.274 0.407 20 0 BCADHM Cc1ccnc(N2CCOCC2)c1-c1nn[n-]n1 ZINC000095344788 609516074 /nfs/dbraw/zinc/51/60/74/609516074.db2.gz UMSMFKUPSUVHHW-UHFFFAOYSA-N -1 3 246.274 0.407 20 0 BCADHM C[C@@H]1CCN(c2cc(=O)[n-]cn2)CC[S@@]1=O ZINC000893488786 634529465 /nfs/dbraw/zinc/52/94/65/634529465.db2.gz XGDIPZDZUFCGNQ-BCTVWOGZSA-N -1 3 241.316 0.530 20 0 BCADHM CCCOCC(=O)Nc1nnc(OCC)[n-]1 ZINC000233221163 635528263 /nfs/dbraw/zinc/52/82/63/635528263.db2.gz WDHJLXHXEFNHHL-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM CCCOCC(=O)Nc1n[n-]c(OCC)n1 ZINC000233221163 635528272 /nfs/dbraw/zinc/52/82/72/635528272.db2.gz WDHJLXHXEFNHHL-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM CCCOCC(=O)Nc1nc(OCC)n[n-]1 ZINC000233221163 635528285 /nfs/dbraw/zinc/52/82/85/635528285.db2.gz WDHJLXHXEFNHHL-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM CNC(=O)[C@@H](C)CN(C)c1cc(=O)[n-]c(C)n1 ZINC000234374987 631473716 /nfs/dbraw/zinc/47/37/16/631473716.db2.gz DHWMSAKSCASDMF-ZETCQYMHSA-N -1 3 238.291 0.309 20 0 BCADHM COCCOCCCNc1cc(=O)[n-]cn1 ZINC000234650628 631656912 /nfs/dbraw/zinc/65/69/12/631656912.db2.gz KMJSOCABHYZGFZ-UHFFFAOYSA-N -1 3 227.264 0.235 20 0 BCADHM O=C1[C@H](Nc2cc(=O)[n-]cn2)C[C@@H]2CCCCN12 ZINC000894144580 635717335 /nfs/dbraw/zinc/71/73/35/635717335.db2.gz WDKUXNBSWGVUQH-DTWKUNHWSA-N -1 3 248.286 0.748 20 0 BCADHM O=c1cc(N2CCC[C@H]2CCO)nc[n-]1 ZINC000308906395 632133238 /nfs/dbraw/zinc/13/32/38/632133238.db2.gz VNQZNLGCTHJRLW-QMMMGPOBSA-N -1 3 209.249 0.533 20 0 BCADHM CCOc1nnc(NC(=O)C[C@@H]2CCCO2)[n-]1 ZINC000228784425 632499738 /nfs/dbraw/zinc/49/97/38/632499738.db2.gz BNBOCTVKQQJERE-ZETCQYMHSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1nc(NC(=O)C[C@@H]2CCCO2)n[n-]1 ZINC000228784425 632499747 /nfs/dbraw/zinc/49/97/47/632499747.db2.gz BNBOCTVKQQJERE-ZETCQYMHSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1n[n-]c(NC(=O)C[C@@H]2CCCO2)n1 ZINC000228784425 632499754 /nfs/dbraw/zinc/49/97/54/632499754.db2.gz BNBOCTVKQQJERE-ZETCQYMHSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1nnc(NC(=O)[C@H](C)OC)[n-]1 ZINC000162071356 632511064 /nfs/dbraw/zinc/51/10/64/632511064.db2.gz YXCKEWDQJPCIIM-YFKPBYRVSA-N -1 3 214.225 0.177 20 0 BCADHM CCOc1nc(NC(=O)[C@H](C)OC)n[n-]1 ZINC000162071356 632511077 /nfs/dbraw/zinc/51/10/77/632511077.db2.gz YXCKEWDQJPCIIM-YFKPBYRVSA-N -1 3 214.225 0.177 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H](C)OC)n1 ZINC000162071356 632511085 /nfs/dbraw/zinc/51/10/85/632511085.db2.gz YXCKEWDQJPCIIM-YFKPBYRVSA-N -1 3 214.225 0.177 20 0 BCADHM CO[N-]C(=O)CN[C@@H](C)c1ccccn1 ZINC000308937962 632536441 /nfs/dbraw/zinc/53/64/41/632536441.db2.gz LJXVDZYZSNGVSM-QMMMGPOBSA-N -1 3 209.249 0.410 20 0 BCADHM O=c1cc(N2CC[C@](O)(C(F)(F)F)C2)nc[n-]1 ZINC000310167949 632705030 /nfs/dbraw/zinc/70/50/30/632705030.db2.gz OATXDSXCKGUONH-MRVPVSSYSA-N -1 3 249.192 0.686 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC1CC1)C(=O)[O-] ZINC000310163529 632705902 /nfs/dbraw/zinc/70/59/02/632705902.db2.gz MHWDHIUJZBRZHG-HGNGGELXSA-N -1 3 242.319 0.729 20 0 BCADHM COc1nnc(NC(=O)C=Cc2cnn(C)c2)[n-]1 ZINC000310572635 632760962 /nfs/dbraw/zinc/76/09/62/632760962.db2.gz DQPNPTZNLUJFOQ-ARJAWSKDSA-N -1 3 248.246 0.199 20 0 BCADHM COc1nc(NC(=O)C=Cc2cnn(C)c2)n[n-]1 ZINC000310572635 632760968 /nfs/dbraw/zinc/76/09/68/632760968.db2.gz DQPNPTZNLUJFOQ-ARJAWSKDSA-N -1 3 248.246 0.199 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2cnn(C)c2)n1 ZINC000310572635 632760972 /nfs/dbraw/zinc/76/09/72/632760972.db2.gz DQPNPTZNLUJFOQ-ARJAWSKDSA-N -1 3 248.246 0.199 20 0 BCADHM O=c1cc(NCC[C@H]2CCOC2)nc[n-]1 ZINC000236411686 632932716 /nfs/dbraw/zinc/93/27/16/632932716.db2.gz FDDKYNPCAVZLOG-QMMMGPOBSA-N -1 3 209.249 0.608 20 0 BCADHM CC(=O)[N-]OCC(=O)NCc1ccccc1F ZINC000178193423 632985260 /nfs/dbraw/zinc/98/52/60/632985260.db2.gz SWAVSHMZDTVFJR-UHFFFAOYSA-N -1 3 240.234 0.510 20 0 BCADHM COCCOCCNc1cc(=O)[n-]c(C)n1 ZINC000165217154 633087089 /nfs/dbraw/zinc/08/70/89/633087089.db2.gz TXILJBBSKIHXDS-UHFFFAOYSA-N -1 3 227.264 0.566 20 0 BCADHM Cc1nc(NCCn2cccn2)cc(=O)[n-]1 ZINC000165233886 633088666 /nfs/dbraw/zinc/08/86/66/633088666.db2.gz DTGUTLVGSQDZCN-UHFFFAOYSA-N -1 3 219.248 0.799 20 0 BCADHM CC(C)NC(=O)[C@@H](C)Nc1cc(=O)[n-]cn1 ZINC000165324867 633090602 /nfs/dbraw/zinc/09/06/02/633090602.db2.gz ICAVTJDNYBJIOL-SSDOTTSWSA-N -1 3 224.264 0.095 20 0 BCADHM NC(=O)C[C@H]1CCCN(c2cc(=O)[n-]cn2)C1 ZINC000892775792 633224604 /nfs/dbraw/zinc/22/46/04/633224604.db2.gz ZZQBUGCSIJRMMW-MRVPVSSYSA-N -1 3 236.275 0.274 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1cncc(Cl)n1 ZINC000189041998 636030642 /nfs/dbraw/zinc/03/06/42/636030642.db2.gz XPMHMNCFRUBYQE-UHFFFAOYSA-N -1 3 224.611 0.500 20 0 BCADHM CC[C@H](C(=O)[N-]OCc1ccccn1)N(C)C ZINC000909517605 636137558 /nfs/dbraw/zinc/13/75/58/636137558.db2.gz JWXNPKIXIFWWJJ-LLVKDONJSA-N -1 3 237.303 0.970 20 0 BCADHM CN(CC1(O)CCC1)c1cc(=O)[n-]cn1 ZINC000893173077 633896324 /nfs/dbraw/zinc/89/63/24/633896324.db2.gz KPTMJEUNAKFWGS-UHFFFAOYSA-N -1 3 209.249 0.533 20 0 BCADHM Cc1nc(N(C)CC2(O)CCC2)cc(=O)[n-]1 ZINC000893173049 633897037 /nfs/dbraw/zinc/89/70/37/633897037.db2.gz KCEMBXKLQFBULW-UHFFFAOYSA-N -1 3 223.276 0.842 20 0 BCADHM O=C([N-]OCc1ccccn1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000909522280 636151814 /nfs/dbraw/zinc/15/18/14/636151814.db2.gz GEFQAKRNEMAOKW-JLLWLGSASA-N -1 3 246.266 0.855 20 0 BCADHM CCCNC(=O)CCNc1cc(=O)[n-]c(C)n1 ZINC000162684399 634276246 /nfs/dbraw/zinc/27/62/46/634276246.db2.gz YXIMWGAUNASKRL-UHFFFAOYSA-N -1 3 238.291 0.819 20 0 BCADHM Cc1nc(NC[C@@H](O)C2CC2)cc(=O)[n-]1 ZINC000162708826 634295635 /nfs/dbraw/zinc/29/56/35/634295635.db2.gz NNEHMXIMYPDWTL-MRVPVSSYSA-N -1 3 209.249 0.673 20 0 BCADHM COc1nnc(NC(=O)c2ccc(F)nc2)[n-]1 ZINC000226559711 635439040 /nfs/dbraw/zinc/43/90/40/635439040.db2.gz XYEBKYXDQIUMJZ-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COc1nc(NC(=O)c2ccc(F)nc2)n[n-]1 ZINC000226559711 635439056 /nfs/dbraw/zinc/43/90/56/635439056.db2.gz XYEBKYXDQIUMJZ-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccc(F)nc2)n1 ZINC000226559711 635439062 /nfs/dbraw/zinc/43/90/62/635439062.db2.gz XYEBKYXDQIUMJZ-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM CCS(=O)(CC)=NC(=O)c1cc(=O)[n-]cn1 ZINC000925871482 635585429 /nfs/dbraw/zinc/58/54/29/635585429.db2.gz XTXRQPFJMRJBDR-UHFFFAOYSA-N -1 3 243.288 0.830 20 0 BCADHM CCn1cnc(CNC(C)(C)C(=O)[O-])c1 ZINC000900031513 637167817 /nfs/dbraw/zinc/16/78/17/637167817.db2.gz CEYZEIHCJRBWSQ-UHFFFAOYSA-N -1 3 211.265 0.856 20 0 BCADHM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)Nc1nnc(OC)[n-]1 ZINC000907193517 638323785 /nfs/dbraw/zinc/32/37/85/638323785.db2.gz YGONUCVKQIQZHB-DSYKOEDSSA-N -1 3 240.263 0.423 20 0 BCADHM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)Nc1n[n-]c(OC)n1 ZINC000907193517 638323791 /nfs/dbraw/zinc/32/37/91/638323791.db2.gz YGONUCVKQIQZHB-DSYKOEDSSA-N -1 3 240.263 0.423 20 0 BCADHM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)Nc1nc(OC)n[n-]1 ZINC000907193517 638323795 /nfs/dbraw/zinc/32/37/95/638323795.db2.gz YGONUCVKQIQZHB-DSYKOEDSSA-N -1 3 240.263 0.423 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907470055 638384508 /nfs/dbraw/zinc/38/45/08/638384508.db2.gz IPTMYMFWJYJXRN-SZEHBUNVSA-N -1 3 227.260 0.296 20 0 BCADHM NC(=O)CCC(=O)[N-]OCCC(F)(F)F ZINC000907544530 638399272 /nfs/dbraw/zinc/39/92/72/638399272.db2.gz SRIUKCBHJKGWDL-UHFFFAOYSA-N -1 3 228.170 0.252 20 0 BCADHM CN1C[C@H](O)C[C@@]1(C)C(=O)[N-]OCCC1CC1 ZINC000908384045 638679299 /nfs/dbraw/zinc/67/92/99/638679299.db2.gz OOZMJSFZIKKLTI-PWSUYJOCSA-N -1 3 242.319 0.289 20 0 BCADHM CN1C[C@H](O)C[C@]1(C)C(=O)[N-]OCCC1CC1 ZINC000908384046 638679914 /nfs/dbraw/zinc/67/99/14/638679914.db2.gz OOZMJSFZIKKLTI-ZYHUDNBSSA-N -1 3 242.319 0.289 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C/C=C/Cl)c1 ZINC000908451740 638741844 /nfs/dbraw/zinc/74/18/44/638741844.db2.gz DQFYXMLZEIKZDD-NSCUHMNNSA-N -1 3 235.696 0.451 20 0 BCADHM COc1cccc([O-])c1C(=O)N1CCOC1 ZINC000908705665 639055409 /nfs/dbraw/zinc/05/54/09/639055409.db2.gz PVGDHNDCSCGXDI-UHFFFAOYSA-N -1 3 223.228 0.831 20 0 BCADHM CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN1C(C)C ZINC000908948593 639098796 /nfs/dbraw/zinc/09/87/96/639098796.db2.gz FMBLNMVEPQYNJI-JTQLQIEISA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H](C(=O)N[C@@](C)(CC)C(=O)[O-])N(C)C ZINC000908925509 639103022 /nfs/dbraw/zinc/10/30/22/639103022.db2.gz QDVPMBCSIUGCPA-KWQFWETISA-N -1 3 230.308 0.696 20 0 BCADHM CCN(CC)CC(=O)N[C@](C)(CC)C(=O)[O-] ZINC000908927305 639103252 /nfs/dbraw/zinc/10/32/52/639103252.db2.gz HIRTWGSDBIKQHM-LLVKDONJSA-N -1 3 230.308 0.698 20 0 BCADHM CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000909130886 639153652 /nfs/dbraw/zinc/15/36/52/639153652.db2.gz FSILVDATBBLHIF-BDAKNGLRSA-N -1 3 228.292 0.449 20 0 BCADHM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000909304491 639199270 /nfs/dbraw/zinc/19/92/70/639199270.db2.gz TWDKNXLUHDHPGD-LLVKDONJSA-N -1 3 237.259 0.275 20 0 BCADHM O=C([O-])C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000909741814 639218550 /nfs/dbraw/zinc/21/85/50/639218550.db2.gz KQVLIZAUTOEWEJ-VIFPVBQESA-N -1 3 237.259 0.418 20 0 BCADHM O=C([O-])[C@H]1[C@@H]2CN(c3ccnc(CO)c3)C[C@@H]21 ZINC000910277159 639402279 /nfs/dbraw/zinc/40/22/79/639402279.db2.gz BCOUCTWPDNGMOF-URLYPYJESA-N -1 3 234.255 0.341 20 0 BCADHM O=C([O-])[C@H]1CCCN(c2ccncc2CO)C1 ZINC000910308688 639407506 /nfs/dbraw/zinc/40/75/06/639407506.db2.gz GILKBUKQFACIGS-VIFPVBQESA-N -1 3 236.271 0.875 20 0 BCADHM C[C@@H]1[C@H](C(=O)[O-])CCN1c1ccnc(CO)c1 ZINC000910316670 639411667 /nfs/dbraw/zinc/41/16/67/639411667.db2.gz UPGZUYWYRXFFOA-LDYMZIIASA-N -1 3 236.271 0.873 20 0 BCADHM O=C([O-])C1=CC[C@H](Nc2ccncc2CO)C1 ZINC000910328892 639415131 /nfs/dbraw/zinc/41/51/31/639415131.db2.gz ZTQNZXXKCQJJOS-JTQLQIEISA-N -1 3 234.255 0.581 20 0 BCADHM CC(C)(CNc1ccncc1CO)CC(=O)[O-] ZINC000910333318 639417915 /nfs/dbraw/zinc/41/79/15/639417915.db2.gz RUSVQZUNCZUTSI-UHFFFAOYSA-N -1 3 238.287 0.909 20 0 BCADHM CC(C)(CCNc1ccncc1CO)C(=O)[O-] ZINC000910434296 639448192 /nfs/dbraw/zinc/44/81/92/639448192.db2.gz KIQAQOWPZPHQEL-UHFFFAOYSA-N -1 3 238.287 0.909 20 0 BCADHM CN(c1ccnc(CO)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000910476169 639464618 /nfs/dbraw/zinc/46/46/18/639464618.db2.gz QXRQCOOOYNWOOW-DKTWLAJQSA-N -1 3 236.271 0.873 20 0 BCADHM CC[C@@H](C(=O)[O-])C(=O)NCCN1CCCCC1 ZINC000911132800 639583209 /nfs/dbraw/zinc/58/32/09/639583209.db2.gz KSRMCWDUHLOCGM-SNVBAGLBSA-N -1 3 242.319 0.699 20 0 BCADHM COc1cccc([O-])c1C(=O)N[C@@H]1CC[C@H]1O ZINC000911300212 639615629 /nfs/dbraw/zinc/61/56/29/639615629.db2.gz JKSOLEAHEPVWNL-HTQZYQBOSA-N -1 3 237.255 0.654 20 0 BCADHM C/C=C/C(=O)NCCCc1c[n-][nH]c1=O ZINC000912470266 640086482 /nfs/dbraw/zinc/08/64/82/640086482.db2.gz RDIZTFZZGULWHL-KHVHVRLGSA-N -1 3 209.249 0.191 20 0 BCADHM O=C(/C=C/C1CC1)NCCCc1c[n-][nH]c1=O ZINC000912471772 640087511 /nfs/dbraw/zinc/08/75/11/640087511.db2.gz XDVGSBQEKXQCPH-PORFMDCZSA-N -1 3 235.287 0.581 20 0 BCADHM CC(C)c1nccn1CC(=O)N(C)c1nn[n-]n1 ZINC000912616552 640126614 /nfs/dbraw/zinc/12/66/14/640126614.db2.gz JQRIELCGTSXSDJ-UHFFFAOYSA-N -1 3 249.278 0.183 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CCn1cncn1)C2 ZINC000931313933 640150451 /nfs/dbraw/zinc/15/04/51/640150451.db2.gz RVNLKVQYQXXYJV-UHFFFAOYSA-N -1 3 246.274 0.098 20 0 BCADHM Cc1nnc(CN2Cc3nc(C)[n-]c(=O)c3C2)[nH]1 ZINC000931313709 640150556 /nfs/dbraw/zinc/15/05/56/640150556.db2.gz NGOVKYJXXGTNBW-UHFFFAOYSA-N -1 3 246.274 0.433 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CCc1cn[nH]c1)C2 ZINC000931313267 640151560 /nfs/dbraw/zinc/15/15/60/640151560.db2.gz FSZNROUDXBUIJJ-UHFFFAOYSA-N -1 3 245.286 0.772 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cncn1C)C2 ZINC000931318356 640154751 /nfs/dbraw/zinc/15/47/51/640154751.db2.gz NLDKGTVTSWWMAE-UHFFFAOYSA-N -1 3 245.286 0.740 20 0 BCADHM CN1C[C@@H](O)C[C@@]1(C)C(=O)[N-]OCC1CCC1 ZINC000912724440 640179167 /nfs/dbraw/zinc/17/91/67/640179167.db2.gz HCXMJPYLKMHSFS-JQWIXIFHSA-N -1 3 242.319 0.289 20 0 BCADHM CC(C)c1nocc1C(=O)[N-]c1nnn(C)n1 ZINC000912833864 640221591 /nfs/dbraw/zinc/22/15/91/640221591.db2.gz HRCLYVQEEGJCAL-UHFFFAOYSA-N -1 3 236.235 0.574 20 0 BCADHM CCCC(=O)N1CCC[C@@H](C(=O)[N-]OC)C1 ZINC000054830780 640416494 /nfs/dbraw/zinc/41/64/94/640416494.db2.gz GNFPDEDNRXSJAF-SECBINFHSA-N -1 3 228.292 0.703 20 0 BCADHM COc1ncccc1C(=O)[N-]NC(=O)C(C)C ZINC000032673732 640422621 /nfs/dbraw/zinc/42/26/21/640422621.db2.gz YWCIGBIIAQLESB-UHFFFAOYSA-N -1 3 237.259 0.507 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)Nc1nnn(C)n1 ZINC000932259315 640460234 /nfs/dbraw/zinc/46/02/34/640460234.db2.gz ZAWCUADKGJGOKN-LURJTMIESA-N -1 3 228.256 0.309 20 0 BCADHM CC(C)C(=O)N[N-]C(=O)c1cc(C(C)C)[nH]n1 ZINC000044953210 640476907 /nfs/dbraw/zinc/47/69/07/640476907.db2.gz CMSOKWSLNBGCGI-UHFFFAOYSA-N -1 3 238.291 0.950 20 0 BCADHM Cc1nc(NCCC[S@@](C)=O)cc(=O)[n-]1 ZINC000165338633 640561331 /nfs/dbraw/zinc/56/13/31/640561331.db2.gz IFDCBPPYOBKHHM-HNNXBMFYSA-N -1 3 229.305 0.671 20 0 BCADHM C[C@@]1(O)CCCN(c2cc(=O)[n-]cn2)C1 ZINC000165441989 640577739 /nfs/dbraw/zinc/57/77/39/640577739.db2.gz NVUSMUMRUSVKDP-SNVBAGLBSA-N -1 3 209.249 0.121 20 0 BCADHM Cc1nc(N(C)CC[C@@H](C)O)cc(=O)[n-]1 ZINC000165443466 640577916 /nfs/dbraw/zinc/57/79/16/640577916.db2.gz ZWDBHQZBDYOERO-SSDOTTSWSA-N -1 3 211.265 0.698 20 0 BCADHM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@@H]1CCCN(C)C1 ZINC000226723782 640790763 /nfs/dbraw/zinc/79/07/63/640790763.db2.gz GTPZGEKJHQBOMO-OPRDCNLKSA-N -1 3 240.303 0.260 20 0 BCADHM CCN(CC)CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000060336451 640855272 /nfs/dbraw/zinc/85/52/72/640855272.db2.gz PLZWZZHYXFWPMW-LLVKDONJSA-N -1 3 230.308 0.903 20 0 BCADHM CCCCC1(C(=O)[N-]OCC(N)=O)CC1 ZINC000935226734 641370191 /nfs/dbraw/zinc/37/01/91/641370191.db2.gz TWLOPAKZRPFEBG-UHFFFAOYSA-N -1 3 214.265 0.490 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1C(=O)[N-]OCC(F)F ZINC000935389660 641400375 /nfs/dbraw/zinc/40/03/75/641400375.db2.gz YDMCPFSLQCBARB-PHDIDXHHSA-N -1 3 237.202 0.499 20 0 BCADHM CCC1(CC(=O)[N-]OC[C@@H]2CCOC2)COC1 ZINC000935593484 641429171 /nfs/dbraw/zinc/42/91/71/641429171.db2.gz JOYGRCAFXMLPFL-SNVBAGLBSA-N -1 3 243.303 0.887 20 0 BCADHM CC[C@@H](N)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000040479578 641531362 /nfs/dbraw/zinc/53/13/62/641531362.db2.gz DBJVCMYDEVTZNR-MRVPVSSYSA-N -1 3 228.292 0.627 20 0 BCADHM Cc1cc(C[N-]S(=O)(=O)CC2(F)CC2)on1 ZINC000913971693 641532912 /nfs/dbraw/zinc/53/29/12/641532912.db2.gz FILNRRJSTIROSW-UHFFFAOYSA-N -1 3 248.279 0.905 20 0 BCADHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)[N-]OC)C1 ZINC000159559627 641686693 /nfs/dbraw/zinc/68/66/93/641686693.db2.gz SWLPECVDRTXULI-VHSXEESVSA-N -1 3 242.319 0.949 20 0 BCADHM O=C(CC1CCOCC1)[N-]OC[C@H]1CCOC1 ZINC000187843951 641726229 /nfs/dbraw/zinc/72/62/29/641726229.db2.gz SUNZIAKLFDEXLM-NSHDSACASA-N -1 3 243.303 0.887 20 0 BCADHM CSCCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000187825579 641727864 /nfs/dbraw/zinc/72/78/64/641727864.db2.gz NWUWKOFGSNWEEK-MRVPVSSYSA-N -1 3 219.306 0.824 20 0 BCADHM O=C(Cc1ccoc1)[N-]OC[C@@H]1CCOC1 ZINC000188005143 641739866 /nfs/dbraw/zinc/73/98/66/641739866.db2.gz BZCLKOISKUAWOO-SNVBAGLBSA-N -1 3 225.244 0.906 20 0 BCADHM CC(=O)CCCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000188329977 641754227 /nfs/dbraw/zinc/75/42/27/641754227.db2.gz HYZXMQDJOQBACR-SNVBAGLBSA-N -1 3 229.276 0.830 20 0 BCADHM CO[N-]C(=O)[C@@H]1C[C@]12c1ccccc1NC2=O ZINC000929851983 641774534 /nfs/dbraw/zinc/77/45/34/641774534.db2.gz LLOLLCINONSGSQ-UFBFGSQYSA-N -1 3 232.239 0.574 20 0 BCADHM CC(C)CO[N-]C(=O)C[C@@H]1COC(=O)C1 ZINC000153636904 641837496 /nfs/dbraw/zinc/83/74/96/641837496.db2.gz HOMXBEZOLDVPFD-QMMMGPOBSA-N -1 3 215.249 0.643 20 0 BCADHM CONC(=O)c1cc2c(cc1[O-])OCO2 ZINC000916737646 641972100 /nfs/dbraw/zinc/97/21/00/641972100.db2.gz UQHBGQWMQLKAKB-UHFFFAOYSA-N -1 3 211.173 0.412 20 0 BCADHM CN(C)C(=O)OCn1cc(Cl)c(=O)[n-]c1=O ZINC000917137275 642019207 /nfs/dbraw/zinc/01/92/07/642019207.db2.gz NQSRYQJKRFRFKL-UHFFFAOYSA-N -1 3 247.638 0.258 20 0 BCADHM C(Cc1nnn[n-]1)SC[C@H]1C[C@@]12CCOC2 ZINC000917859091 642136784 /nfs/dbraw/zinc/13/67/84/642136784.db2.gz NSMRBBKRDBNMDP-PSASIEDQSA-N -1 3 240.332 0.902 20 0 BCADHM C(Cc1nn[n-]n1)SC[C@H]1C[C@@]12CCOC2 ZINC000917859091 642136789 /nfs/dbraw/zinc/13/67/89/642136789.db2.gz NSMRBBKRDBNMDP-PSASIEDQSA-N -1 3 240.332 0.902 20 0 BCADHM C(CSCCc1nnn[n-]1)O[C@@H]1CCOC1 ZINC000917867229 642136917 /nfs/dbraw/zinc/13/69/17/642136917.db2.gz XAAAFMNEBCLBBH-MRVPVSSYSA-N -1 3 244.320 0.281 20 0 BCADHM C(CSCCc1nn[n-]n1)O[C@@H]1CCOC1 ZINC000917867229 642136920 /nfs/dbraw/zinc/13/69/20/642136920.db2.gz XAAAFMNEBCLBBH-MRVPVSSYSA-N -1 3 244.320 0.281 20 0 BCADHM CCCCS(=O)(=O)[N-][C@H]1C[C@H](C)OC1=O ZINC000919722206 642379974 /nfs/dbraw/zinc/37/99/74/642379974.db2.gz GMLVFJXKFJDGCQ-YUMQZZPRSA-N -1 3 235.305 0.410 20 0 BCADHM O=C(c1nnc2ccccc2c1[O-])N1CC(O)C1 ZINC000305103197 642641840 /nfs/dbraw/zinc/64/18/40/642641840.db2.gz CAAHPHIWQLHYCP-UHFFFAOYSA-N -1 3 245.238 0.152 20 0 BCADHM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000921497051 642858934 /nfs/dbraw/zinc/85/89/34/642858934.db2.gz GDNZXDGZTSYFGL-YUMQZZPRSA-N -1 3 231.273 0.593 20 0 BCADHM Cc1c(C#N)cccc1NC(=O)[N-]OCC(N)=O ZINC000183275404 643100625 /nfs/dbraw/zinc/10/06/25/643100625.db2.gz QHROCHUIQKHLJN-UHFFFAOYSA-N -1 3 248.242 0.405 20 0 BCADHM CCOCCO[N-]C(=O)CC[C@@H](C)OC ZINC000184779782 643237384 /nfs/dbraw/zinc/23/73/84/643237384.db2.gz OTZLJMNOUJMDIU-SECBINFHSA-N -1 3 219.281 0.886 20 0 BCADHM COc1cc[n-]c(=NNC(=S)NC2CC2)n1 ZINC000046103574 643568384 /nfs/dbraw/zinc/56/83/84/643568384.db2.gz AGVFKKTVGRQXNS-UHFFFAOYSA-N -1 3 239.304 0.439 20 0 BCADHM CO[N-]C(=O)Cn1ccc(=O)c2ccccc21 ZINC000049376466 643616793 /nfs/dbraw/zinc/61/67/93/643616793.db2.gz DXKONOLGROBPLE-UHFFFAOYSA-N -1 3 232.239 0.679 20 0 BCADHM O=S(=O)([N-][C@H]1C[C@H](CO)C1)c1ccco1 ZINC000922062447 643856016 /nfs/dbraw/zinc/85/60/16/643856016.db2.gz FOHUJXFDHBVKRN-ZKCHVHJHSA-N -1 3 231.273 0.329 20 0 BCADHM O=C(c1ccccc1[O-])N1CC=C[C@H]1CO ZINC000922262741 643930907 /nfs/dbraw/zinc/93/09/07/643930907.db2.gz YQTNBPMJXMIDRM-VIFPVBQESA-N -1 3 219.240 0.765 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CC=C[C@H]1CO ZINC000922275040 643945936 /nfs/dbraw/zinc/94/59/36/643945936.db2.gz RKUMLXLNLDBEGV-QMMMGPOBSA-N -1 3 235.239 0.471 20 0 BCADHM CO[N-]C(=O)CNCc1cccc(O)c1 ZINC000922830259 644115149 /nfs/dbraw/zinc/11/51/49/644115149.db2.gz RGEJGUGIJZZTEQ-UHFFFAOYSA-N -1 3 210.233 0.159 20 0 BCADHM CCCN(C)CC(=O)NCCN(C)C(=O)[O-] ZINC000739348232 644500862 /nfs/dbraw/zinc/50/08/62/644500862.db2.gz HTPZBHRQXJCTFX-UHFFFAOYSA-N -1 3 231.296 0.054 20 0 BCADHM CO[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000089937083 644573085 /nfs/dbraw/zinc/57/30/85/644573085.db2.gz FXHKHLDPIPGNEH-SSDOTTSWSA-N -1 3 204.295 0.101 20 0 BCADHM COCCO[N-]C(=O)CCCC(=O)OC ZINC000764458240 644657408 /nfs/dbraw/zinc/65/74/08/644657408.db2.gz AIERXEPEGKFAHJ-UHFFFAOYSA-N -1 3 219.237 0.024 20 0 BCADHM COc1cccc([O-])c1C(=O)NC[C@H](C)O ZINC000096785579 644836508 /nfs/dbraw/zinc/83/65/08/644836508.db2.gz DHMJOHLRXUVYMZ-ZETCQYMHSA-N -1 3 225.244 0.511 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@@H](N)CC1CC1 ZINC000304391029 644900083 /nfs/dbraw/zinc/90/00/83/644900083.db2.gz SZAOXVMSICMFKU-VIFPVBQESA-N -1 3 228.292 0.437 20 0 BCADHM C[C@@H](F)CC[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867308135 645255236 /nfs/dbraw/zinc/25/52/36/645255236.db2.gz FKUVFISJCOFFFS-ZCFIWIBFSA-N -1 3 246.329 0.297 20 0 BCADHM CON1CCN(Cc2nc(C)cc(=O)[n-]2)CC1 ZINC000846980481 645412189 /nfs/dbraw/zinc/41/21/89/645412189.db2.gz VWNLYHBGLAUNOJ-UHFFFAOYSA-N -1 3 238.291 0.170 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCc1cccnc1 ZINC000857288411 645542975 /nfs/dbraw/zinc/54/29/75/645542975.db2.gz WVRWPZFEWPNEHX-UHFFFAOYSA-N -1 3 238.287 0.833 20 0 BCADHM O=C(CC1(O)CCC1)[N-]OCc1cccnc1 ZINC000857473754 645571906 /nfs/dbraw/zinc/57/19/06/645571906.db2.gz BVYLEBYNXDXWQX-UHFFFAOYSA-N -1 3 236.271 0.935 20 0 BCADHM Cn1ncc(CCC(=O)[N-]OC2CCCC2)n1 ZINC000857480457 645573704 /nfs/dbraw/zinc/57/37/04/645573704.db2.gz IPTFLBLJEYRGDD-UHFFFAOYSA-N -1 3 238.291 0.738 20 0 BCADHM CC[C@H](O)CC(=O)[N-]OC1CCOCC1 ZINC000857488429 645576577 /nfs/dbraw/zinc/57/65/77/645576577.db2.gz GWHOCVCSLWAQKQ-QMMMGPOBSA-N -1 3 217.265 0.374 20 0 BCADHM CC[C@@H](O)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000857493662 645577483 /nfs/dbraw/zinc/57/74/83/645577483.db2.gz HUYIBIMSPJKOFK-DTWKUNHWSA-N -1 3 217.265 0.232 20 0 BCADHM Cc1c(CC(=O)[N-]OC(C)C)cnn1C ZINC000857522322 645588488 /nfs/dbraw/zinc/58/84/88/645588488.db2.gz GAYSGWZMLPNYMD-UHFFFAOYSA-N -1 3 211.265 0.727 20 0 BCADHM NC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000023345529 645828822 /nfs/dbraw/zinc/82/88/22/645828822.db2.gz UIUDTNFXSKGIAE-UHFFFAOYSA-N -1 3 224.241 0.872 20 0 BCADHM Cc1nc(N(CCO)CC2CC2)cc(=O)[n-]1 ZINC000708430231 712194167 /nfs/dbraw/zinc/19/41/67/712194167.db2.gz FRYPRXPMLYIOMW-UHFFFAOYSA-N -1 3 223.276 0.699 20 0 BCADHM CN1CC[C@@H]1CNC(=O)c1c([O-])cccc1F ZINC000712284713 712394760 /nfs/dbraw/zinc/39/47/60/712394760.db2.gz NSBWTJQNKWWGQX-MRVPVSSYSA-N -1 3 238.262 0.965 20 0 BCADHM CO[C@H](C)CN(C)c1cc(=O)[n-]c(C)n1 ZINC000379917956 712626743 /nfs/dbraw/zinc/62/67/43/712626743.db2.gz QIOJWLSIJLMZBV-SSDOTTSWSA-N -1 3 211.265 0.962 20 0 BCADHM Cc1ccc(C(=O)NC[C@@H](O)[C@H](C)O)c([O-])c1 ZINC000717336660 712649652 /nfs/dbraw/zinc/64/96/52/712649652.db2.gz RBLHYYJLEYUMCH-GZMMTYOYSA-N -1 3 239.271 0.172 20 0 BCADHM CC(C)O[N-]C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000382148260 710799909 /nfs/dbraw/zinc/79/99/09/710799909.db2.gz CUTJNLRRCPFLOQ-MRVPVSSYSA-N -1 3 229.280 0.233 20 0 BCADHM O=C(Cc1ccsc1)[N-]OCCO ZINC000393537438 711163031 /nfs/dbraw/zinc/16/30/31/711163031.db2.gz JKHXFNPCAXHWAV-UHFFFAOYSA-N -1 3 201.247 0.331 20 0 BCADHM C[S@@](=O)C1(CNc2cc(=O)[n-]cn2)CCC1 ZINC000393704332 711170667 /nfs/dbraw/zinc/17/06/67/711170667.db2.gz MQGDDMQVBHLCSE-MRXNPFEDSA-N -1 3 241.316 0.895 20 0 BCADHM O=c1cc(N[C@@H]2CCNC(=O)CC2)nc[n-]1 ZINC000396617061 711360665 /nfs/dbraw/zinc/36/06/65/711360665.db2.gz BODSBDXVKRBLQJ-ZETCQYMHSA-N -1 3 222.248 0.263 20 0 BCADHM O=C(NCCn1cnnc1)c1ccc(O)cc1[O-] ZINC000381168121 710606739 /nfs/dbraw/zinc/60/67/39/710606739.db2.gz BRZKSOWUYCWQGO-UHFFFAOYSA-N -1 3 248.242 0.119 20 0 BCADHM O=C([N-][C@@H]1CC12CC(O)C2)C(F)(F)C(F)F ZINC000724918980 711627933 /nfs/dbraw/zinc/62/79/33/711627933.db2.gz ZBORSOJLTSFLPK-VGZKRQLQSA-N -1 3 241.184 0.916 20 0 BCADHM O=C(N[C@H]1CC12CC(O)C2)c1c([O-])cccc1O ZINC000724962216 711637905 /nfs/dbraw/zinc/63/79/05/711637905.db2.gz KHFNLCKKAXYLTD-JRIBOLAGSA-N -1 3 249.266 0.741 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@H]3C[C@@]3(CO)C2)n1 ZINC000782611815 711677458 /nfs/dbraw/zinc/67/74/58/711677458.db2.gz FIIRIZDLGYRUMP-RNCFNFMXSA-N -1 3 249.314 0.559 20 0 BCADHM COC(=O)[C@H]1CCN(c2cc(=O)[n-]cn2)[C@H]1C ZINC000893420006 711721381 /nfs/dbraw/zinc/72/13/81/711721381.db2.gz INSXZERAFIIONC-YUMQZZPRSA-N -1 3 237.259 0.570 20 0 BCADHM C[N-]S(=O)(=O)c1cnc(OC)s1 ZINC000306168082 711773333 /nfs/dbraw/zinc/77/33/33/711773333.db2.gz DTEIZNHGOQYCNG-UHFFFAOYSA-N -1 3 208.264 0.060 20 0 BCADHM NC(=O)CO[N-]C(=O)CCC1CCC1 ZINC000089462581 711798215 /nfs/dbraw/zinc/79/82/15/711798215.db2.gz OAVIHKYZDZLVKV-UHFFFAOYSA-N -1 3 200.238 0.100 20 0 BCADHM CCCN(C(=O)Cc1c[nH]cn1)[C@@H](C)C(=O)[O-] ZINC000911715939 711819387 /nfs/dbraw/zinc/81/93/87/711819387.db2.gz FXOSXZAIQSZKRH-QMMMGPOBSA-N -1 3 239.275 0.664 20 0 BCADHM O=C([N-]C1=NCCS1)C(=O)Nc1ccccc1 ZINC000170378617 711836748 /nfs/dbraw/zinc/83/67/48/711836748.db2.gz DKJLBAQSAWQTBT-UHFFFAOYSA-N -1 3 249.295 0.844 20 0 BCADHM CCC1(c2nc(-c3cc(=O)[n-]cn3)no2)COC1 ZINC000351371508 711866102 /nfs/dbraw/zinc/86/61/02/711866102.db2.gz NKTGJZFAKPTDHK-UHFFFAOYSA-N -1 3 248.242 0.910 20 0 BCADHM Cc1ccc(NC(=O)[N-]OCC(N)=O)cc1F ZINC000180598882 711889116 /nfs/dbraw/zinc/88/91/16/711889116.db2.gz HHDQGBAPPCBMHS-UHFFFAOYSA-N -1 3 241.222 0.673 20 0 BCADHM COCCO[N-]C(=O)/C=C\c1ccco1 ZINC000700620669 712002467 /nfs/dbraw/zinc/00/24/67/712002467.db2.gz SZTKNKYBLUTNIZ-PLNGDYQASA-N -1 3 211.217 0.987 20 0 BCADHM O=S(=O)([N-]C1CSC1)c1cccnc1F ZINC000702396348 712050134 /nfs/dbraw/zinc/05/01/34/712050134.db2.gz VADHQEPTLRDOAY-UHFFFAOYSA-N -1 3 248.304 0.614 20 0 BCADHM CC[C@@H](C)C[C@@H](N)C(=O)NC1CC(C(=O)[O-])C1 ZINC000703478215 712076185 /nfs/dbraw/zinc/07/61/85/712076185.db2.gz OXRHBASDHOKKRK-SEZDTBSWSA-N -1 3 242.319 0.729 20 0 BCADHM Cc1nc(N[C@H]2CCCN(C)C2=O)cc(=O)[n-]1 ZINC000704387270 712105703 /nfs/dbraw/zinc/10/57/03/712105703.db2.gz NYKBTYXGGZFVPJ-QMMMGPOBSA-N -1 3 236.275 0.523 20 0 BCADHM CN(CC1(C)COC1)c1cc(=O)[n-]cn1 ZINC000705732297 712135951 /nfs/dbraw/zinc/13/59/51/712135951.db2.gz JZSOZJZAMVBESF-UHFFFAOYSA-N -1 3 209.249 0.655 20 0 BCADHM CCOC[C@H]1CN(c2cc(=O)[n-]cn2)CCO1 ZINC000706663838 712151573 /nfs/dbraw/zinc/15/15/73/712151573.db2.gz ZCEMCZATEQSVBA-SECBINFHSA-N -1 3 239.275 0.424 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H](C(=O)OC)[C@@H](C)O ZINC000707788168 712178138 /nfs/dbraw/zinc/17/81/38/712178138.db2.gz AXQHOBXUKARPPY-RITPCOANSA-N -1 3 239.218 0.070 20 0 BCADHM CN(C[C@H]1CCC[C@@H]1O)c1cc(=O)[n-]cn1 ZINC000708354142 712190081 /nfs/dbraw/zinc/19/00/81/712190081.db2.gz IYLMWDFWWXITMM-BDAKNGLRSA-N -1 3 223.276 0.779 20 0 BCADHM O=C(NOCCCC(F)(F)F)c1c[n-]nn1 ZINC000710122130 712245365 /nfs/dbraw/zinc/24/53/65/712245365.db2.gz WRNDUGAXNOMVJS-UHFFFAOYSA-N -1 3 238.169 0.809 20 0 BCADHM O=C(NOCCCC(F)(F)F)c1cnn[n-]1 ZINC000710122130 712245368 /nfs/dbraw/zinc/24/53/68/712245368.db2.gz WRNDUGAXNOMVJS-UHFFFAOYSA-N -1 3 238.169 0.809 20 0 BCADHM O=C(NOCCCC(F)(F)F)c1cn[n-]n1 ZINC000710122130 712245371 /nfs/dbraw/zinc/24/53/71/712245371.db2.gz WRNDUGAXNOMVJS-UHFFFAOYSA-N -1 3 238.169 0.809 20 0 BCADHM O=c1[n-]c(=O)n(CCOC2CC2)cc1Cl ZINC000711704086 712318623 /nfs/dbraw/zinc/31/86/23/712318623.db2.gz PIKLSMZSWOKSGP-UHFFFAOYSA-N -1 3 230.651 0.781 20 0 BCADHM CO[C@@H]1CN(CCOC2CC2)[C@@](C)(C(=O)[O-])C1 ZINC000711750910 712323970 /nfs/dbraw/zinc/32/39/70/712323970.db2.gz BWMGPZPNDIQLIG-CMPLNLGQSA-N -1 3 243.303 0.729 20 0 BCADHM CSCCCCC(=O)[N-]OCCO ZINC000379353267 712375732 /nfs/dbraw/zinc/37/57/32/712375732.db2.gz AHCWJCIJHRLQBN-UHFFFAOYSA-N -1 3 207.295 0.560 20 0 BCADHM CN1CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000712284885 712394011 /nfs/dbraw/zinc/39/40/11/712394011.db2.gz PHBNHLURLSPCGQ-SECBINFHSA-N -1 3 220.272 0.826 20 0 BCADHM C[C@H](CN(C)c1cnc(F)cn1)c1nnn[n-]1 ZINC000853476494 712613567 /nfs/dbraw/zinc/61/35/67/712613567.db2.gz CRTXDOCRYPDOPB-ZCFIWIBFSA-N -1 3 237.242 0.369 20 0 BCADHM C[C@H](CN(C)c1cnc(F)cn1)c1nn[n-]n1 ZINC000853476494 712613569 /nfs/dbraw/zinc/61/35/69/712613569.db2.gz CRTXDOCRYPDOPB-ZCFIWIBFSA-N -1 3 237.242 0.369 20 0 BCADHM CC(F)(F)C(=O)[N-][C@H]1COCCC1=O ZINC000717178270 712638227 /nfs/dbraw/zinc/63/82/27/712638227.db2.gz SFDMEFVQORUHRV-YFKPBYRVSA-N -1 3 207.176 0.116 20 0 BCADHM COCCO[N-]C(=O)C[C@@H]1CCCCO1 ZINC000135163611 712648019 /nfs/dbraw/zinc/64/80/19/712648019.db2.gz PCHUSDNTWKRJRN-VIFPVBQESA-N -1 3 217.265 0.640 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2C[C@@H](C)CO2)[n-]1 ZINC000718487879 712765593 /nfs/dbraw/zinc/76/55/93/712765593.db2.gz RRGMETMZUCXYJA-RITPCOANSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@@H]2C[C@@H](C)CO2)n[n-]1 ZINC000718487879 712765594 /nfs/dbraw/zinc/76/55/94/712765594.db2.gz RRGMETMZUCXYJA-RITPCOANSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@@H](C)CO2)n1 ZINC000718487879 712765596 /nfs/dbraw/zinc/76/55/96/712765596.db2.gz RRGMETMZUCXYJA-RITPCOANSA-N -1 3 226.236 0.177 20 0 BCADHM C[C@@H]1[C@H](Nc2nc(C(=O)[O-])co2)CCN1C ZINC000719475562 712808214 /nfs/dbraw/zinc/80/82/14/712808214.db2.gz RGYKTCPLBYUBJS-RNFRBKRXSA-N -1 3 225.248 0.877 20 0 BCADHM O=C(NCc1nc2c(s1)CCC2)c1cn[n-]n1 ZINC000719495138 712809012 /nfs/dbraw/zinc/80/90/12/712809012.db2.gz ASJBFSACCOMUPD-UHFFFAOYSA-N -1 3 249.299 0.680 20 0 BCADHM CO[N-]C(=O)CNCc1ccccc1F ZINC000380346324 712891393 /nfs/dbraw/zinc/89/13/93/712891393.db2.gz TZYOONGRAGVVRN-UHFFFAOYSA-N -1 3 212.224 0.593 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000408081549 343975974 /nfs/dbraw/zinc/97/59/74/343975974.db2.gz DWCSDBCDTSPHLV-SFYZADRCSA-N -1 3 224.264 0.804 20 0 BCADHM C[C@@H]1C[C@@H](CN2CCOC[C@H]2C(=O)[O-])CCO1 ZINC000257684406 349471715 /nfs/dbraw/zinc/47/17/15/349471715.db2.gz RAIMLBQKTYBEOU-VWYCJHECSA-N -1 3 243.303 0.587 20 0 BCADHM C[C@@H]1C[C@@H](CN2CCOC[C@@H]2C(=O)[O-])CCO1 ZINC000257684405 349471797 /nfs/dbraw/zinc/47/17/97/349471797.db2.gz RAIMLBQKTYBEOU-OUAUKWLOSA-N -1 3 243.303 0.587 20 0 BCADHM COc1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)ccc1[O-] ZINC000572455170 398151882 /nfs/dbraw/zinc/15/18/82/398151882.db2.gz YNVIISFDGWDAGW-GDGBQDQQSA-N -1 3 249.266 0.775 20 0 BCADHM C[C@H]1COCC[C@@H]1C(=O)Nc1ccncc1[O-] ZINC000408438185 398170167 /nfs/dbraw/zinc/17/01/67/398170167.db2.gz GHVXPECAHNQLGT-IUCAKERBSA-N -1 3 236.271 0.820 20 0 BCADHM C[C@@H](CO)CCCNC(=O)c1cc(=O)[n-]cn1 ZINC000626285263 398183763 /nfs/dbraw/zinc/18/37/63/398183763.db2.gz ZQPTWZBXGUGFFP-MRVPVSSYSA-N -1 3 239.275 0.321 20 0 BCADHM CO[N-]C(=O)CCc1nc(C(C)C)no1 ZINC000071891764 398167002 /nfs/dbraw/zinc/16/70/02/398167002.db2.gz BFVWUXVYMZYWCK-UHFFFAOYSA-N -1 3 213.237 0.803 20 0 BCADHM Cc1cc([N-]C(=O)Cn2ncsc2=O)on1 ZINC000194641736 178135612 /nfs/dbraw/zinc/13/56/12/178135612.db2.gz IFXBQDWCIHTEHZ-UHFFFAOYSA-N -1 3 240.244 0.240 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1cc2n(n1)CCCO2 ZINC000576333068 365568162 /nfs/dbraw/zinc/56/81/62/365568162.db2.gz CDFUSYNCXGNJPQ-UHFFFAOYSA-N -1 3 234.219 0.036 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000299696362 398216065 /nfs/dbraw/zinc/21/60/65/398216065.db2.gz WDVJSCTXARFGKK-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM NC(=O)C[C@H]1CCCN(Cc2ncccc2[O-])C1 ZINC000576432493 365593351 /nfs/dbraw/zinc/59/33/51/365593351.db2.gz IQDMZZXPFBCCKP-SNVBAGLBSA-N -1 3 249.314 0.875 20 0 BCADHM CN(CC(=O)Nc1ccncc1[O-])C1CCC1 ZINC000629959177 361802315 /nfs/dbraw/zinc/80/23/15/361802315.db2.gz NJYPSYCRHSIVDV-UHFFFAOYSA-N -1 3 235.287 0.632 20 0 BCADHM C[C@@H]1CSCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000625748945 398253464 /nfs/dbraw/zinc/25/34/64/398253464.db2.gz UAEJWIRDRJVFIV-SSDOTTSWSA-N -1 3 239.300 0.760 20 0 BCADHM CC1(C)CN(c2nc3nncc-3c(O)[n-]2)C[C@@H]1O ZINC000576697119 365660246 /nfs/dbraw/zinc/66/02/46/365660246.db2.gz MGJNQVPEABNJJM-ZETCQYMHSA-N -1 3 249.274 0.266 20 0 BCADHM Cc1ccc(C(=O)N2CCNCC2)c([O-])c1 ZINC000019506047 178392143 /nfs/dbraw/zinc/39/21/43/178392143.db2.gz OWKIWPZWZORGQJ-UHFFFAOYSA-N -1 3 220.272 0.746 20 0 BCADHM Cc1ccc(C(=O)N2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000225896791 178394201 /nfs/dbraw/zinc/39/42/01/178394201.db2.gz GBRKQEPMULEKDC-SECBINFHSA-N -1 3 248.282 0.648 20 0 BCADHM CN(CC(=O)NCC(=O)[O-])C1CCCCC1 ZINC000032024579 342796803 /nfs/dbraw/zinc/79/68/03/342796803.db2.gz KDOBSHGFHNSWOF-UHFFFAOYSA-N -1 3 228.292 0.452 20 0 BCADHM CCOc1cnc(C(=O)[N-]c2nc[nH]n2)cn1 ZINC000188435835 538978977 /nfs/dbraw/zinc/97/89/77/538978977.db2.gz SMQMAMFFNWZSQY-UHFFFAOYSA-N -1 3 234.219 0.246 20 0 BCADHM CC(C)n1cc([N-]S(C)(=O)=O)cn1 ZINC000082393481 361996641 /nfs/dbraw/zinc/99/66/41/361996641.db2.gz XLKRZPDFJZBAKA-UHFFFAOYSA-N -1 3 203.267 0.836 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCCn2nccc21 ZINC000625079537 342849565 /nfs/dbraw/zinc/84/95/65/342849565.db2.gz ZPSGASWSLVVEID-UHFFFAOYSA-N -1 3 245.242 0.429 20 0 BCADHM C[C@H]1CCN(Cc2ncccc2[O-])[C@@H](C(N)=O)C1 ZINC000519476847 398305105 /nfs/dbraw/zinc/30/51/05/398305105.db2.gz CJTJQNPXHCPVOF-GXSJLCMTSA-N -1 3 249.314 0.873 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCC[C@@H](F)C1 ZINC000628012528 342871457 /nfs/dbraw/zinc/87/14/57/342871457.db2.gz PFRKKDNKICTNRW-SSDOTTSWSA-N -1 3 225.223 0.756 20 0 BCADHM CC(C)(O)CNc1ccncc1C(=O)[O-] ZINC000232554182 342858048 /nfs/dbraw/zinc/85/80/48/342858048.db2.gz HJSQWIQJYONVDO-UHFFFAOYSA-N -1 3 210.233 0.963 20 0 BCADHM C[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)CCCO1 ZINC000625156174 342895809 /nfs/dbraw/zinc/89/58/09/342895809.db2.gz SWSFESONQXZZAP-QMMMGPOBSA-N -1 3 237.259 0.433 20 0 BCADHM C[C@@H](O)CN(C(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000628027279 342880012 /nfs/dbraw/zinc/88/00/12/342880012.db2.gz QQIOJQCJRXNMJD-SSDOTTSWSA-N -1 3 237.259 0.168 20 0 BCADHM [O-]c1ccc(Cl)c(CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000625204452 342910472 /nfs/dbraw/zinc/91/04/72/342910472.db2.gz KEYKWUJOQYQJAL-PHIMTYICSA-N -1 3 243.690 0.583 20 0 BCADHM O=C(N[C@H](CO)C1CCC1)c1cc(=O)[n-]cn1 ZINC000628045796 342901819 /nfs/dbraw/zinc/90/18/19/342901819.db2.gz NQTYPAMZJXXCEM-SECBINFHSA-N -1 3 237.259 0.073 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CCNC(=O)[C@@H]2C)c1 ZINC000106359685 398327214 /nfs/dbraw/zinc/32/72/14/398327214.db2.gz RGAWZRKQOWFZNT-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM O=S(=O)([N-][C@H]1C=CCCC1)c1c[nH]cn1 ZINC000127828684 398332655 /nfs/dbraw/zinc/33/26/55/398332655.db2.gz AKLSWXOOGYUDSF-QMMMGPOBSA-N -1 3 227.289 0.797 20 0 BCADHM C[C@H]1CCc2[n-]n(CCN(C)C)c(=O)c21 ZINC000634590037 342937233 /nfs/dbraw/zinc/93/72/33/342937233.db2.gz OMVWYKYQUWBBNI-WPRPVWTQSA-N -1 3 209.293 0.792 20 0 BCADHM C[C@@H](CO)[N-]S(=O)(=O)c1cccs1 ZINC000019781283 342957486 /nfs/dbraw/zinc/95/74/86/342957486.db2.gz AIAAQEAPFQOEAH-LURJTMIESA-N -1 3 221.303 0.407 20 0 BCADHM CCOC(C)(C)C(=O)Nc1n[n-]c(OC)n1 ZINC000383969306 343006443 /nfs/dbraw/zinc/00/64/43/343006443.db2.gz FBWMTEPMFILNBN-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM CCOC(C)(C)C(=O)Nc1nnc(OC)[n-]1 ZINC000383969306 343006444 /nfs/dbraw/zinc/00/64/44/343006444.db2.gz FBWMTEPMFILNBN-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM CCOC(C)(C)C(=O)Nc1nc(OC)n[n-]1 ZINC000383969306 343006446 /nfs/dbraw/zinc/00/64/46/343006446.db2.gz FBWMTEPMFILNBN-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM C[C@@H]1CCCN(C(=O)CNC2CC2)[C@@H]1C(=O)[O-] ZINC000235307350 343009545 /nfs/dbraw/zinc/00/95/45/343009545.db2.gz BUMYECMOUAEVLA-KCJUWKMLSA-N -1 3 240.303 0.450 20 0 BCADHM C[C@H](CO)n1[n-]c(=O)c2ccccc2c1=O ZINC000634617788 343015876 /nfs/dbraw/zinc/01/58/76/343015876.db2.gz XZEMGVJDHYGEBA-SSDOTTSWSA-N -1 3 220.228 0.655 20 0 BCADHM C[C@@H](CO)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000083220316 349748408 /nfs/dbraw/zinc/74/84/08/349748408.db2.gz XPKACUYTWAUKAX-SSDOTTSWSA-N -1 3 248.279 0.127 20 0 BCADHM C[C@@H](C(=O)[O-])C(=O)N1CCCC[C@H]1CN(C)C ZINC000404906797 323031800 /nfs/dbraw/zinc/03/18/00/323031800.db2.gz GIUNEPKVFCPXAV-ZJUUUORDSA-N -1 3 242.319 0.650 20 0 BCADHM COCC(COC)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634635227 343047628 /nfs/dbraw/zinc/04/76/28/343047628.db2.gz ZTLUNJOHDQUCHL-KCJUWKMLSA-N -1 3 240.303 0.892 20 0 BCADHM CC(C)(O)Cn1[n-]c(=O)c2ccccc2c1=O ZINC000634634856 343048978 /nfs/dbraw/zinc/04/89/78/343048978.db2.gz MOUHZRRUBYXXIP-UHFFFAOYSA-N -1 3 234.255 0.873 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC/C=C/CO ZINC000628060578 343090159 /nfs/dbraw/zinc/09/01/59/343090159.db2.gz SDCPZLUYUQJVES-NSCUHMNNSA-N -1 3 221.256 0.979 20 0 BCADHM CCOC(=O)c1cc(NC(=O)CN(C)C)n[n-]1 ZINC000119831988 343097599 /nfs/dbraw/zinc/09/75/99/343097599.db2.gz MKFYNOGNPYFVRJ-UHFFFAOYSA-N -1 3 240.263 0.087 20 0 BCADHM CCOC(=O)c1cc(NC(=O)CN(C)C)[n-]n1 ZINC000119831988 343097600 /nfs/dbraw/zinc/09/76/00/343097600.db2.gz MKFYNOGNPYFVRJ-UHFFFAOYSA-N -1 3 240.263 0.087 20 0 BCADHM CCCN(CCN(C)C)C(=O)C1(C(=O)[O-])CC1 ZINC000050303703 343145565 /nfs/dbraw/zinc/14/55/65/343145565.db2.gz FNUTVYQGKUCQAE-UHFFFAOYSA-N -1 3 242.319 0.651 20 0 BCADHM C[C@H](C(=O)[O-])C(=O)NCCN1CCCCCC1 ZINC000122086381 343158203 /nfs/dbraw/zinc/15/82/03/343158203.db2.gz VMSLJXGGTOUNOW-JTQLQIEISA-N -1 3 242.319 0.699 20 0 BCADHM O=C([O-])[C@H]1CSCCN1CCn1cccn1 ZINC000126646833 343170727 /nfs/dbraw/zinc/17/07/27/343170727.db2.gz ZTFGJWSJSQGPNF-SECBINFHSA-N -1 3 241.316 0.385 20 0 BCADHM CCNC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000050924691 343222191 /nfs/dbraw/zinc/22/21/91/343222191.db2.gz VVACDOKVPXGOEY-JTQLQIEISA-N -1 3 242.319 0.842 20 0 BCADHM CCN(CC(=O)[O-])Cc1ccc(OC)nc1 ZINC000166895401 343208588 /nfs/dbraw/zinc/20/85/88/343208588.db2.gz JLSZLRFPPZYFMH-UHFFFAOYSA-N -1 3 224.260 0.997 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCCC(N)=O)c1 ZINC000036747605 343323429 /nfs/dbraw/zinc/32/34/29/343323429.db2.gz QEWBKJMQDOXKDI-UHFFFAOYSA-N -1 3 222.244 0.306 20 0 BCADHM CCOCCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947954 343294568 /nfs/dbraw/zinc/29/45/68/343294568.db2.gz MXPUPOCBWAXHCN-UHFFFAOYSA-N -1 3 233.293 0.115 20 0 BCADHM O=S(=O)([N-]Cc1cscn1)c1c[nH]cn1 ZINC000069949053 343294729 /nfs/dbraw/zinc/29/47/29/343294729.db2.gz TUOXCICWPIZBRS-UHFFFAOYSA-N -1 3 244.301 0.345 20 0 BCADHM CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)OC ZINC000070224059 343314700 /nfs/dbraw/zinc/31/47/00/343314700.db2.gz XYNIFMQTZUKDPD-BQBZGAKWSA-N -1 3 223.294 0.123 20 0 BCADHM O=C(c1ccccc1[O-])N1CCC[C@H]1CO ZINC000042433514 343437304 /nfs/dbraw/zinc/43/73/04/343437304.db2.gz QROKELTYLLPSJN-VIFPVBQESA-N -1 3 221.256 0.989 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1ccncc1F ZINC000083094261 343476424 /nfs/dbraw/zinc/47/64/24/343476424.db2.gz MSSYKJFXHRTAPC-UHFFFAOYSA-N -1 3 207.168 0.591 20 0 BCADHM CCn1ncc(C)c1NC(=O)c1cc(=O)[n-]cn1 ZINC000628084128 343484828 /nfs/dbraw/zinc/48/48/28/343484828.db2.gz HSAVEZLOSLSOIY-UHFFFAOYSA-N -1 3 247.258 0.959 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC(C)(C)C(N)=O)c1 ZINC000045109997 343523933 /nfs/dbraw/zinc/52/39/33/343523933.db2.gz MIJPYOXJTNVCJD-UHFFFAOYSA-N -1 3 236.271 0.694 20 0 BCADHM CCS(=O)(=O)CC(=O)Nc1ncccc1[O-] ZINC000048911459 343589967 /nfs/dbraw/zinc/58/99/67/343589967.db2.gz YWWXXFIJQJDMNA-UHFFFAOYSA-N -1 3 244.272 0.160 20 0 BCADHM CCOCCN1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000634694671 343621511 /nfs/dbraw/zinc/62/15/11/343621511.db2.gz JQTSEWIJCIPJPF-MWLCHTKSSA-N -1 3 231.292 0.587 20 0 BCADHM CCN(CC(=O)[O-])Cc1cccnc1OC ZINC000087415197 343648701 /nfs/dbraw/zinc/64/87/01/343648701.db2.gz WOFLIMYHEYKAOW-UHFFFAOYSA-N -1 3 224.260 0.997 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](N)C1CCC1 ZINC000399095159 488228044 /nfs/dbraw/zinc/22/80/44/488228044.db2.gz VECTYPZTIVKCCH-IUCAKERBSA-N -1 3 228.292 0.435 20 0 BCADHM O=C(Nc1cccc(O)c1)c1cnn[n-]1 ZINC000087601708 343654392 /nfs/dbraw/zinc/65/43/92/343654392.db2.gz ZNIYKJQTTOVNMR-UHFFFAOYSA-N -1 3 204.189 0.763 20 0 BCADHM O=C(Nc1cccc(O)c1)c1c[n-]nn1 ZINC000087601708 343654396 /nfs/dbraw/zinc/65/43/96/343654396.db2.gz ZNIYKJQTTOVNMR-UHFFFAOYSA-N -1 3 204.189 0.763 20 0 BCADHM O=C(Nc1cccc(O)c1)c1cn[n-]n1 ZINC000087601708 343654398 /nfs/dbraw/zinc/65/43/98/343654398.db2.gz ZNIYKJQTTOVNMR-UHFFFAOYSA-N -1 3 204.189 0.763 20 0 BCADHM CCCS(=O)(=O)[N-][C@H](CC)C(=O)OC ZINC000090184055 343750247 /nfs/dbraw/zinc/75/02/47/343750247.db2.gz VLDIXGBTRBPLBQ-SSDOTTSWSA-N -1 3 223.294 0.267 20 0 BCADHM O=C(N[C@H]1CCCC[C@H]1O)c1cc(=O)[n-]cn1 ZINC000626199970 346986004 /nfs/dbraw/zinc/98/60/04/346986004.db2.gz YCCGGWCYYITPSE-IONNQARKSA-N -1 3 237.259 0.216 20 0 BCADHM CN(CCO)C(=O)/C=C\c1cncc([O-])c1 ZINC000492473886 529918386 /nfs/dbraw/zinc/91/83/86/529918386.db2.gz NINJAVSSRLNVCG-IHWYPQMZSA-N -1 3 222.244 0.251 20 0 BCADHM CCC(F)(F)C[N-]S(=O)(=O)NC ZINC000625453660 343860776 /nfs/dbraw/zinc/86/07/76/343860776.db2.gz ASHFRFBCKNWHFH-UHFFFAOYSA-N -1 3 202.226 0.086 20 0 BCADHM CN(CCn1cccn1)C(=O)c1cc(=O)[n-]cn1 ZINC000625472665 343872891 /nfs/dbraw/zinc/87/28/91/343872891.db2.gz VEZUIOAXFOTNBL-UHFFFAOYSA-N -1 3 247.258 0.151 20 0 BCADHM C[C@H](O)[C@H]1CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000628104434 343943550 /nfs/dbraw/zinc/94/35/50/343943550.db2.gz RWDDQJAXZCDRKT-IONNQARKSA-N -1 3 237.259 0.168 20 0 BCADHM C[C@@]1(CNC(=O)c2cc(=O)[n-]cn2)CC1(F)F ZINC000628090834 343934626 /nfs/dbraw/zinc/93/46/26/343934626.db2.gz VJKACKCQLMTXRQ-VIFPVBQESA-N -1 3 243.213 0.957 20 0 BCADHM CCc1cc(CNC(=O)c2cc(=O)[n-]cn2)on1 ZINC000625773793 344070506 /nfs/dbraw/zinc/07/05/06/344070506.db2.gz CWALLSWFJZPXHI-UHFFFAOYSA-N -1 3 248.242 0.663 20 0 BCADHM O=C(NC[C@@H]1CCC[C@H]1O)c1cc(=O)[n-]cn1 ZINC000625870085 344244321 /nfs/dbraw/zinc/24/43/21/344244321.db2.gz CXYVFGFJWVICSB-IONNQARKSA-N -1 3 237.259 0.073 20 0 BCADHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cn(C)cn2)C1 ZINC000131999349 344244586 /nfs/dbraw/zinc/24/45/86/344244586.db2.gz YQJKLDRMZYPYDV-DTWKUNHWSA-N -1 3 243.332 0.887 20 0 BCADHM CCC[C@H](CCO)N=c1ncnc2[nH][n-]cc1-2 ZINC000631425148 344251626 /nfs/dbraw/zinc/25/16/26/344251626.db2.gz ACYBKAVUEJUDIE-MRVPVSSYSA-N -1 3 235.291 0.689 20 0 BCADHM CO[C@@]1(C)C[C@H]1NC(=O)Cc1cncc([O-])c1 ZINC000620547964 344242664 /nfs/dbraw/zinc/24/26/64/344242664.db2.gz JVTVSVQZSBBSNZ-PWSUYJOCSA-N -1 3 236.271 0.623 20 0 BCADHM O=C(c1cccc([O-])c1)N1CCC[C@H](O)C1 ZINC000035103315 344328375 /nfs/dbraw/zinc/32/83/75/344328375.db2.gz BIRPYMAJISKMDJ-NSHDSACASA-N -1 3 221.256 0.989 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1C[C@@H]2COC[C@@H]2C1 ZINC000634778458 344306199 /nfs/dbraw/zinc/30/61/99/344306199.db2.gz BETGQMQENJSQRT-DTORHVGOSA-N -1 3 249.266 0.816 20 0 BCADHM O=C([O-])[C@@H]1CSCCN1C[C@@H]1CCCO1 ZINC000227450753 344425352 /nfs/dbraw/zinc/42/53/52/344425352.db2.gz RNYOCLPXDYDDEJ-IUCAKERBSA-N -1 3 231.317 0.667 20 0 BCADHM CS[C@H](C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000590379690 347050406 /nfs/dbraw/zinc/05/04/06/347050406.db2.gz NIHXKXFKDAHPFL-SCSAIBSYSA-N -1 3 226.265 0.142 20 0 BCADHM CC[C@@H](NC(=O)c1c[n-]nn1)[C@H]1CCCO1 ZINC000151951469 344470568 /nfs/dbraw/zinc/47/05/68/344470568.db2.gz DUAYZWXDWUYJAM-VXNVDRBHSA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@@H](NC(=O)c1cnn[n-]1)[C@H]1CCCO1 ZINC000151951469 344470569 /nfs/dbraw/zinc/47/05/69/344470569.db2.gz DUAYZWXDWUYJAM-VXNVDRBHSA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CCCO1 ZINC000151951469 344470572 /nfs/dbraw/zinc/47/05/72/344470572.db2.gz DUAYZWXDWUYJAM-VXNVDRBHSA-N -1 3 224.264 0.492 20 0 BCADHM CC[C@@H](SC)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000590379863 347053231 /nfs/dbraw/zinc/05/32/31/347053231.db2.gz SKOARLJDHHIHKW-RXMQYKEDSA-N -1 3 240.292 0.533 20 0 BCADHM Cc1cc(C(=O)NCc2nnnn2C)ccc1[O-] ZINC000389354756 344482198 /nfs/dbraw/zinc/48/21/98/344482198.db2.gz AMOQKFDHGIJAIX-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM O=C(NCC1Cc2ccccc2C1)c1c[n-]nn1 ZINC000522717379 259376155 /nfs/dbraw/zinc/37/61/55/259376155.db2.gz ZHDANDWIVSXSRQ-UHFFFAOYSA-N -1 3 242.282 0.950 20 0 BCADHM O=C(NCC1Cc2ccccc2C1)c1cnn[n-]1 ZINC000522717379 259376156 /nfs/dbraw/zinc/37/61/56/259376156.db2.gz ZHDANDWIVSXSRQ-UHFFFAOYSA-N -1 3 242.282 0.950 20 0 BCADHM O=C(NCC1Cc2ccccc2C1)c1cn[n-]n1 ZINC000522717379 259376157 /nfs/dbraw/zinc/37/61/57/259376157.db2.gz ZHDANDWIVSXSRQ-UHFFFAOYSA-N -1 3 242.282 0.950 20 0 BCADHM C[C@@](O)(CNC(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000625930930 344571427 /nfs/dbraw/zinc/57/14/27/344571427.db2.gz GYSWWHGQQWODIA-LLVKDONJSA-N -1 3 237.259 0.073 20 0 BCADHM Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](C)O)c1 ZINC000035611353 178678337 /nfs/dbraw/zinc/67/83/37/178678337.db2.gz FAVIPCIXMQGIIV-QMMMGPOBSA-N -1 3 247.291 0.793 20 0 BCADHM C[C@H]1CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000625914961 344562632 /nfs/dbraw/zinc/56/26/32/344562632.db2.gz CDELCQFIMDHATM-ZETCQYMHSA-N -1 3 207.233 0.807 20 0 BCADHM O=C(N[C@@H]1CC[C@H]1O)c1ccc2n[n-]nc2c1 ZINC000425063145 192072739 /nfs/dbraw/zinc/07/27/39/192072739.db2.gz VSIAGGSHLPSNJV-PSASIEDQSA-N -1 3 232.243 0.211 20 0 BCADHM Cc1nnc([C@@H](C)NC(=O)c2cc(=O)[n-]cn2)o1 ZINC000626090932 344733075 /nfs/dbraw/zinc/73/30/75/344733075.db2.gz ZEIDWTBGUSQFPX-RXMQYKEDSA-N -1 3 249.230 0.365 20 0 BCADHM CN(C[C@H](O)C1CC1)C(=O)c1cc(=O)[n-]cn1 ZINC000626054915 344703349 /nfs/dbraw/zinc/70/33/49/344703349.db2.gz MVJDVFZTYNHJCM-VIFPVBQESA-N -1 3 237.259 0.025 20 0 BCADHM Cn1[n-]c(CN2C[C@@H]3CCCC[C@@]32C)nc1=O ZINC000626103894 344749575 /nfs/dbraw/zinc/74/95/75/344749575.db2.gz VRGYVLYWZARZCH-CABZTGNLSA-N -1 3 236.319 0.873 20 0 BCADHM OC1(CCSCCc2nnn[n-]2)CCC1 ZINC000603339836 349916542 /nfs/dbraw/zinc/91/65/42/349916542.db2.gz HCFAPXZMJCYGLP-UHFFFAOYSA-N -1 3 228.321 0.781 20 0 BCADHM OC1(CCSCCc2nn[n-]n2)CCC1 ZINC000603339836 349916545 /nfs/dbraw/zinc/91/65/45/349916545.db2.gz HCFAPXZMJCYGLP-UHFFFAOYSA-N -1 3 228.321 0.781 20 0 BCADHM c1n[nH]cc1CCSCCc1nnn[n-]1 ZINC000603340485 349917662 /nfs/dbraw/zinc/91/76/62/349917662.db2.gz INIONCOWELZDMZ-UHFFFAOYSA-N -1 3 224.293 0.441 20 0 BCADHM c1n[nH]cc1CCSCCc1nn[n-]n1 ZINC000603340485 349917664 /nfs/dbraw/zinc/91/76/64/349917664.db2.gz INIONCOWELZDMZ-UHFFFAOYSA-N -1 3 224.293 0.441 20 0 BCADHM COC(=O)CCCCSCCc1nn[n-]n1 ZINC000603341909 349919107 /nfs/dbraw/zinc/91/91/07/349919107.db2.gz GKBZQUOLOWDXGX-UHFFFAOYSA-N -1 3 244.320 0.819 20 0 BCADHM CCO[C@H](C)C(=O)NN=c1cccn[n-]1 ZINC000077031912 344812808 /nfs/dbraw/zinc/81/28/08/344812808.db2.gz SBUONXCYOKUXSI-SSDOTTSWSA-N -1 3 210.237 0.345 20 0 BCADHM COC(=O)CCCCSCCc1nnn[n-]1 ZINC000603341909 349919103 /nfs/dbraw/zinc/91/91/03/349919103.db2.gz GKBZQUOLOWDXGX-UHFFFAOYSA-N -1 3 244.320 0.819 20 0 BCADHM c1nnsc1CSCCc1nnn[n-]1 ZINC000603341346 349918963 /nfs/dbraw/zinc/91/89/63/349918963.db2.gz OGWJBRNZKVWECQ-UHFFFAOYSA-N -1 3 228.306 0.527 20 0 BCADHM c1nnsc1CSCCc1nn[n-]n1 ZINC000603341346 349918967 /nfs/dbraw/zinc/91/89/67/349918967.db2.gz OGWJBRNZKVWECQ-UHFFFAOYSA-N -1 3 228.306 0.527 20 0 BCADHM FC(F)COc1ncccc1-c1nnn[n-]1 ZINC000408494504 344840650 /nfs/dbraw/zinc/84/06/50/344840650.db2.gz ZHKLEYUHFSFFEH-UHFFFAOYSA-N -1 3 227.174 0.906 20 0 BCADHM C[C@@H](CC(=O)Nc1ccncc1[O-])n1ccnc1 ZINC000582126444 344843711 /nfs/dbraw/zinc/84/37/11/344843711.db2.gz DHOZSTLCRSZHBU-VIFPVBQESA-N -1 3 246.270 0.995 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)s1 ZINC000425207975 192083630 /nfs/dbraw/zinc/08/36/30/192083630.db2.gz NRSZORUHIZEKTE-RNFRBKRXSA-N -1 3 248.329 0.253 20 0 BCADHM CCCC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000069091506 362507820 /nfs/dbraw/zinc/50/78/20/362507820.db2.gz XNOWVUOHHQOLES-UHFFFAOYSA-N -1 3 217.294 0.499 20 0 BCADHM O=C(c1ccccc1[O-])N1C[C@H]2C[C@@]2(O)C1 ZINC000641573051 362510533 /nfs/dbraw/zinc/51/05/33/362510533.db2.gz YHZRNQOJSNZTBN-PRHODGIISA-N -1 3 219.240 0.599 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000641591148 362533798 /nfs/dbraw/zinc/53/37/98/362533798.db2.gz YRLVQXGLRQSZIG-KSBSHMNSSA-N -1 3 238.218 0.133 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CC1CSC1 ZINC000641612799 362545595 /nfs/dbraw/zinc/54/55/95/362545595.db2.gz NCTSIEVQOYKILV-UHFFFAOYSA-N -1 3 248.329 0.624 20 0 BCADHM Cc1nnc(SCCc2nnn[n-]2)nc1C ZINC000641636416 362568841 /nfs/dbraw/zinc/56/88/41/362568841.db2.gz CCFPGEVDZFEHHU-UHFFFAOYSA-N -1 3 237.292 0.336 20 0 BCADHM Cc1nnc(SCCc2nn[n-]n2)nc1C ZINC000641636416 362568849 /nfs/dbraw/zinc/56/88/49/362568849.db2.gz CCFPGEVDZFEHHU-UHFFFAOYSA-N -1 3 237.292 0.336 20 0 BCADHM Cc1ccc(SCCc2nnn[n-]2)nn1 ZINC000641637116 362568898 /nfs/dbraw/zinc/56/88/98/362568898.db2.gz IPWVUHVXYHNOJL-UHFFFAOYSA-N -1 3 222.277 0.633 20 0 BCADHM Cc1ccc(SCCc2nn[n-]n2)nn1 ZINC000641637116 362568904 /nfs/dbraw/zinc/56/89/04/362568904.db2.gz IPWVUHVXYHNOJL-UHFFFAOYSA-N -1 3 222.277 0.633 20 0 BCADHM O=C1CCCC[C@H]1SCCc1nnn[n-]1 ZINC000603332651 349925753 /nfs/dbraw/zinc/92/57/53/349925753.db2.gz BPMDERKPYJNHIB-MRVPVSSYSA-N -1 3 226.305 0.987 20 0 BCADHM O=C1CCCC[C@H]1SCCc1nn[n-]n1 ZINC000603332651 349925755 /nfs/dbraw/zinc/92/57/55/349925755.db2.gz BPMDERKPYJNHIB-MRVPVSSYSA-N -1 3 226.305 0.987 20 0 BCADHM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCC(=O)[O-] ZINC000574891642 345263395 /nfs/dbraw/zinc/26/33/95/345263395.db2.gz JWSUVXSLDSDPEJ-KKZNHRDASA-N -1 3 241.287 0.735 20 0 BCADHM COC(=O)[C@H](C)SCCc1nnn[n-]1 ZINC000603335023 349926227 /nfs/dbraw/zinc/92/62/27/349926227.db2.gz QTRMWXJKMYWRGZ-YFKPBYRVSA-N -1 3 216.266 0.037 20 0 BCADHM COC(=O)[C@H](C)SCCc1nn[n-]n1 ZINC000603335023 349926231 /nfs/dbraw/zinc/92/62/31/349926231.db2.gz QTRMWXJKMYWRGZ-YFKPBYRVSA-N -1 3 216.266 0.037 20 0 BCADHM Cc1cc(CSCCc2nnn[n-]2)no1 ZINC000603336092 349927461 /nfs/dbraw/zinc/92/74/61/349927461.db2.gz AVKRKQMJACBYCU-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM Cc1cc(CSCCc2nn[n-]n2)no1 ZINC000603336092 349927465 /nfs/dbraw/zinc/92/74/65/349927465.db2.gz AVKRKQMJACBYCU-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM CC(C)CNC(=O)CSCCc1nnn[n-]1 ZINC000603337991 349927712 /nfs/dbraw/zinc/92/77/12/349927712.db2.gz PDZWKCFRODEPFJ-UHFFFAOYSA-N -1 3 243.336 0.248 20 0 BCADHM CC(C)CNC(=O)CSCCc1nn[n-]n1 ZINC000603337991 349927714 /nfs/dbraw/zinc/92/77/14/349927714.db2.gz PDZWKCFRODEPFJ-UHFFFAOYSA-N -1 3 243.336 0.248 20 0 BCADHM CC(C)OC[C@H](O)CSCCc1nnn[n-]1 ZINC000603337147 349928546 /nfs/dbraw/zinc/92/85/46/349928546.db2.gz BHVLGTBCNIXCKZ-QMMMGPOBSA-N -1 3 246.336 0.261 20 0 BCADHM O=C(CSCCc1nnn[n-]1)c1ccc[nH]1 ZINC000603337110 349928209 /nfs/dbraw/zinc/92/82/09/349928209.db2.gz KYMYHUNYHPKSFZ-UHFFFAOYSA-N -1 3 237.288 0.686 20 0 BCADHM CC(C)OC[C@H](O)CSCCc1nn[n-]n1 ZINC000603337147 349928547 /nfs/dbraw/zinc/92/85/47/349928547.db2.gz BHVLGTBCNIXCKZ-QMMMGPOBSA-N -1 3 246.336 0.261 20 0 BCADHM O=C(CSCCc1nn[n-]n1)c1ccc[nH]1 ZINC000603337110 349928215 /nfs/dbraw/zinc/92/82/15/349928215.db2.gz KYMYHUNYHPKSFZ-UHFFFAOYSA-N -1 3 237.288 0.686 20 0 BCADHM CC(C)C(=O)CSCCc1nnn[n-]1 ZINC000603339420 349929557 /nfs/dbraw/zinc/92/95/57/349929557.db2.gz NUGJWNHDPBIGMP-UHFFFAOYSA-N -1 3 214.294 0.701 20 0 BCADHM CC(C)C(=O)CSCCc1nn[n-]n1 ZINC000603339420 349929558 /nfs/dbraw/zinc/92/95/58/349929558.db2.gz NUGJWNHDPBIGMP-UHFFFAOYSA-N -1 3 214.294 0.701 20 0 BCADHM Cc1nnc(CSCCc2nnn[n-]2)s1 ZINC000603338415 349929364 /nfs/dbraw/zinc/92/93/64/349929364.db2.gz KMWVEJMFBUCJNL-UHFFFAOYSA-N -1 3 242.333 0.836 20 0 BCADHM Cc1nnc(CSCCc2nn[n-]n2)s1 ZINC000603338415 349929366 /nfs/dbraw/zinc/92/93/66/349929366.db2.gz KMWVEJMFBUCJNL-UHFFFAOYSA-N -1 3 242.333 0.836 20 0 BCADHM Cn1cnc([N-]C(=O)c2cn(CC3CC3)nn2)n1 ZINC000622616487 345545187 /nfs/dbraw/zinc/54/51/87/345545187.db2.gz BYRJEKLZAUSUGT-UHFFFAOYSA-N -1 3 247.262 0.069 20 0 BCADHM O=C(NCCc1ccc[nH]1)c1c[n-]nn1 ZINC000089350393 345554191 /nfs/dbraw/zinc/55/41/91/345554191.db2.gz RHQQCASFLHYNME-UHFFFAOYSA-N -1 3 205.221 0.105 20 0 BCADHM O=C(NCCc1ccc[nH]1)c1cnn[n-]1 ZINC000089350393 345554192 /nfs/dbraw/zinc/55/41/92/345554192.db2.gz RHQQCASFLHYNME-UHFFFAOYSA-N -1 3 205.221 0.105 20 0 BCADHM O=C(NCCc1ccc[nH]1)c1cn[n-]n1 ZINC000089350393 345554193 /nfs/dbraw/zinc/55/41/93/345554193.db2.gz RHQQCASFLHYNME-UHFFFAOYSA-N -1 3 205.221 0.105 20 0 BCADHM O=c1[n-]c(CN2C[C@H]3CCCC[C@@H]3C2)n[nH]1 ZINC000091589823 345600212 /nfs/dbraw/zinc/60/02/12/345600212.db2.gz JDVUCBFDUJHFKZ-RKDXNWHRSA-N -1 3 222.292 0.720 20 0 BCADHM CCC[C@@H]([N-]S(=O)(=O)CCC)C(=O)OC ZINC000091052733 345581996 /nfs/dbraw/zinc/58/19/96/345581996.db2.gz OQOZCAFTAXDMGP-MRVPVSSYSA-N -1 3 237.321 0.658 20 0 BCADHM COC[C@@H]([N-]c1nc(C2CC2)ns1)C(N)=O ZINC000092689265 345635941 /nfs/dbraw/zinc/63/59/41/345635941.db2.gz XACLWXSKRQNAPK-ZCFIWIBFSA-N -1 3 242.304 0.328 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1)C(F)F ZINC000641700878 362611095 /nfs/dbraw/zinc/61/10/95/362611095.db2.gz BXRHEZRXLVBMIW-RXMQYKEDSA-N -1 3 239.247 0.352 20 0 BCADHM c1cc(-c2nnn[n-]2)cc(N2CCOCC2)c1 ZINC000095221396 345684055 /nfs/dbraw/zinc/68/40/55/345684055.db2.gz DUCOGIPMBATLIT-UHFFFAOYSA-N -1 3 231.259 0.703 20 0 BCADHM c1cc(-c2nn[n-]n2)cc(N2CCOCC2)c1 ZINC000095221396 345684058 /nfs/dbraw/zinc/68/40/58/345684058.db2.gz DUCOGIPMBATLIT-UHFFFAOYSA-N -1 3 231.259 0.703 20 0 BCADHM C[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)C(C)(C)C ZINC000134919596 345760553 /nfs/dbraw/zinc/76/05/53/345760553.db2.gz PLBPMYIRVVJHRF-SSDOTTSWSA-N -1 3 241.291 0.089 20 0 BCADHM CC(C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673543955 488295408 /nfs/dbraw/zinc/29/54/08/488295408.db2.gz NYBYDHCWGUBXCN-UHFFFAOYSA-N -1 3 211.265 0.415 20 0 BCADHM CCC[C@@H](NC(=O)[C@@H](C)N(C)C)c1nnn[n-]1 ZINC000635659389 345938169 /nfs/dbraw/zinc/93/81/69/345938169.db2.gz NVBXJGCEYUHURV-HTQZYQBOSA-N -1 3 240.311 0.107 20 0 BCADHM CCC[C@@H](NC(=O)[C@@H](C)N(C)C)c1nn[n-]n1 ZINC000635659389 345938171 /nfs/dbraw/zinc/93/81/71/345938171.db2.gz NVBXJGCEYUHURV-HTQZYQBOSA-N -1 3 240.311 0.107 20 0 BCADHM C[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000077373502 537944539 /nfs/dbraw/zinc/94/45/39/537944539.db2.gz YQGZWKRUJAGSGY-UHFFFAOYSA-N -1 3 237.227 0.882 20 0 BCADHM CCC(CC)CS(=O)(=O)[N-]CC(=O)OC ZINC000172086781 535029009 /nfs/dbraw/zinc/02/90/09/535029009.db2.gz DPMAIGZRVHOFMI-UHFFFAOYSA-N -1 3 237.321 0.515 20 0 BCADHM Cc1cccc(C(=O)N(C)[C@H]2CCNC2=O)c1[O-] ZINC000336316939 179005026 /nfs/dbraw/zinc/00/50/26/179005026.db2.gz MTGAGEZOBIKRQW-JTQLQIEISA-N -1 3 248.282 0.661 20 0 BCADHM Cc1cccc(NC(=O)c2cnn[n-]2)n1 ZINC000048936568 323112264 /nfs/dbraw/zinc/11/22/64/323112264.db2.gz CQXNAOQZJADZEU-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1cccc(NC(=O)c2c[n-]nn2)n1 ZINC000048936568 323112265 /nfs/dbraw/zinc/11/22/65/323112265.db2.gz CQXNAOQZJADZEU-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1cccc(NC(=O)c2cn[n-]n2)n1 ZINC000048936568 323112266 /nfs/dbraw/zinc/11/22/66/323112266.db2.gz CQXNAOQZJADZEU-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1cccc(C(=O)NCCOC(N)=O)c1[O-] ZINC000135235246 179017546 /nfs/dbraw/zinc/01/75/46/179017546.db2.gz GHAOUSIBEQGXPT-UHFFFAOYSA-N -1 3 238.243 0.526 20 0 BCADHM Cc1cccc(C(=O)N[C@@H](C)CO)c1[O-] ZINC000035205551 179021576 /nfs/dbraw/zinc/02/15/76/179021576.db2.gz BODLQGXOOBWFBM-QMMMGPOBSA-N -1 3 209.245 0.811 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc[nH]n1)C2 ZINC000636283120 346376940 /nfs/dbraw/zinc/37/69/40/346376940.db2.gz BCRWOWCNQMOQHO-UHFFFAOYSA-N -1 3 245.242 0.370 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccn[nH]1)C2 ZINC000636283120 346376942 /nfs/dbraw/zinc/37/69/42/346376942.db2.gz BCRWOWCNQMOQHO-UHFFFAOYSA-N -1 3 245.242 0.370 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H]1CCCO1)C2 ZINC000636281579 346377275 /nfs/dbraw/zinc/37/72/75/346377275.db2.gz APKUURLNCRVDPF-JTQLQIEISA-N -1 3 249.270 0.512 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc[nH]c1)C2 ZINC000636285502 346379000 /nfs/dbraw/zinc/37/90/00/346379000.db2.gz VUUDSGKEDPCFKP-UHFFFAOYSA-N -1 3 244.254 0.975 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1CC(=O)C1)C2 ZINC000636285732 346379075 /nfs/dbraw/zinc/37/90/75/346379075.db2.gz KVRZKKJULLQNBK-UHFFFAOYSA-N -1 3 247.254 0.312 20 0 BCADHM CC(C)[C@@H](O)CNC(=O)Cc1cncc([O-])c1 ZINC000580057233 346499654 /nfs/dbraw/zinc/49/96/54/346499654.db2.gz CGPRGQVHYCJAMI-NSHDSACASA-N -1 3 238.287 0.463 20 0 BCADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)CO ZINC000184955784 179111592 /nfs/dbraw/zinc/11/15/92/179111592.db2.gz BTUKVEOHXCFUQJ-QMMMGPOBSA-N -1 3 247.291 0.793 20 0 BCADHM CO[C@@H](C)CNC(=O)c1cccc2nn[n-]c21 ZINC000189630624 347100515 /nfs/dbraw/zinc/10/05/15/347100515.db2.gz ZDCGCFBEHVLKQB-ZETCQYMHSA-N -1 3 234.259 0.723 20 0 BCADHM CO[C@@H](C)CNC(=O)c1cccc2[n-]nnc21 ZINC000189630624 347100517 /nfs/dbraw/zinc/10/05/17/347100517.db2.gz ZDCGCFBEHVLKQB-ZETCQYMHSA-N -1 3 234.259 0.723 20 0 BCADHM CO[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC000189630624 347100520 /nfs/dbraw/zinc/10/05/20/347100520.db2.gz ZDCGCFBEHVLKQB-ZETCQYMHSA-N -1 3 234.259 0.723 20 0 BCADHM Cc1cccc(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000070079131 179127561 /nfs/dbraw/zinc/12/75/61/179127561.db2.gz WRECOYPBCVGISK-UHFFFAOYSA-N -1 3 247.254 0.485 20 0 BCADHM CC(=O)N1CC(NC(=O)c2cc(C)ccc2[O-])C1 ZINC000176632587 365851326 /nfs/dbraw/zinc/85/13/26/365851326.db2.gz BCYKILANQGQANN-UHFFFAOYSA-N -1 3 248.282 0.661 20 0 BCADHM C[C@H]1CN(C(=O)c2c([O-])cccc2O)C[C@@H]1O ZINC000387855200 347111510 /nfs/dbraw/zinc/11/15/10/347111510.db2.gz KBQSOLMJISFNLW-XVKPBYJWSA-N -1 3 237.255 0.551 20 0 BCADHM CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000571208577 323138510 /nfs/dbraw/zinc/13/85/10/323138510.db2.gz SPIISQMRHHOTQD-UWVGGRQHSA-N -1 3 242.319 0.839 20 0 BCADHM CC(C)(C)OC[C@H](O)CN1CCC[C@H]1C(=O)[O-] ZINC000571337733 323141792 /nfs/dbraw/zinc/14/17/92/323141792.db2.gz RUPMETFLAXBYSQ-ZJUUUORDSA-N -1 3 245.319 0.711 20 0 BCADHM COC(=O)CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000019967259 347329698 /nfs/dbraw/zinc/32/96/98/347329698.db2.gz WQDLCTCBNIWBSP-UHFFFAOYSA-N -1 3 237.255 0.946 20 0 BCADHM O=C(Nc1ncccc1[O-])c1cncnc1 ZINC000082267319 347322296 /nfs/dbraw/zinc/32/22/96/347322296.db2.gz GAKWOVXSHACCNQ-UHFFFAOYSA-N -1 3 216.200 0.830 20 0 BCADHM CC(C)[C@H]1CN(C(=O)c2ncccc2[O-])CCN1 ZINC000621157225 347448347 /nfs/dbraw/zinc/44/83/47/347448347.db2.gz RDPHWHMBZPWNSG-SNVBAGLBSA-N -1 3 249.314 0.857 20 0 BCADHM CCN(CC)Cc1cc(=O)n2[n-]ccc2n1 ZINC000066473432 347705843 /nfs/dbraw/zinc/70/58/43/347705843.db2.gz GLCCSRNCQPHACE-UHFFFAOYSA-N -1 3 220.276 0.864 20 0 BCADHM CSCC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000592012805 347724914 /nfs/dbraw/zinc/72/49/14/347724914.db2.gz HPWGJYOZBZULMF-UHFFFAOYSA-N -1 3 235.334 0.061 20 0 BCADHM C[C@H](Sc1n[n-]c(CO)n1)C(=O)NC1CC1 ZINC000526068071 323156657 /nfs/dbraw/zinc/15/66/57/323156657.db2.gz WUTHUYRWFCRULF-YFKPBYRVSA-N -1 3 242.304 0.056 20 0 BCADHM CC1(C)CC(C(=O)Nc2[n-]nnc2C(N)=O)C1 ZINC000577360769 365934158 /nfs/dbraw/zinc/93/41/58/365934158.db2.gz OEVJNGFUZJWRGO-UHFFFAOYSA-N -1 3 237.263 0.278 20 0 BCADHM CC1(C)CC(C(=O)Nc2nn[n-]c2C(N)=O)C1 ZINC000577360769 365934163 /nfs/dbraw/zinc/93/41/63/365934163.db2.gz OEVJNGFUZJWRGO-UHFFFAOYSA-N -1 3 237.263 0.278 20 0 BCADHM CC1(C)CC(C(=O)Nc2n[n-]nc2C(N)=O)C1 ZINC000577360769 365934169 /nfs/dbraw/zinc/93/41/69/365934169.db2.gz OEVJNGFUZJWRGO-UHFFFAOYSA-N -1 3 237.263 0.278 20 0 BCADHM Cc1cccnc1CCCNC(=O)c1c[n-]nn1 ZINC000296345975 179369489 /nfs/dbraw/zinc/36/94/89/179369489.db2.gz DMLBBYSPWURIBB-UHFFFAOYSA-N -1 3 245.286 0.871 20 0 BCADHM Cc1cccnc1CCCNC(=O)c1cnn[n-]1 ZINC000296345975 179369493 /nfs/dbraw/zinc/36/94/93/179369493.db2.gz DMLBBYSPWURIBB-UHFFFAOYSA-N -1 3 245.286 0.871 20 0 BCADHM Cc1cccnc1CCCNC(=O)c1cn[n-]n1 ZINC000296345975 179369496 /nfs/dbraw/zinc/36/94/96/179369496.db2.gz DMLBBYSPWURIBB-UHFFFAOYSA-N -1 3 245.286 0.871 20 0 BCADHM CC(C)C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C(=O)[O-] ZINC000040471240 187393507 /nfs/dbraw/zinc/39/35/07/187393507.db2.gz ZXDUGJVAMJVVBM-RKDXNWHRSA-N -1 3 244.335 0.975 20 0 BCADHM O=C([O-])c1cnccc1N1CC[C@H](O)C1 ZINC000088109879 362904212 /nfs/dbraw/zinc/90/42/12/362904212.db2.gz TZAXDQCVLUOETH-ZETCQYMHSA-N -1 3 208.217 0.351 20 0 BCADHM COC[C@H](NC(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000626235489 348799322 /nfs/dbraw/zinc/79/93/22/348799322.db2.gz LFKUQIXQLKSERB-VIFPVBQESA-N -1 3 237.259 0.337 20 0 BCADHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000623511031 362936611 /nfs/dbraw/zinc/93/66/11/362936611.db2.gz WDJYXBXHARMXBL-ZCFIWIBFSA-N -1 3 207.233 0.711 20 0 BCADHM COc1nc(NC(=O)[C@]2(C)CC2(F)F)n[n-]1 ZINC000421795845 192383858 /nfs/dbraw/zinc/38/38/58/192383858.db2.gz KQNPPEAYTCYWMS-ZETCQYMHSA-N -1 3 232.190 0.797 20 0 BCADHM COc1nnc(NC(=O)[C@]2(C)CC2(F)F)[n-]1 ZINC000421795845 192383861 /nfs/dbraw/zinc/38/38/61/192383861.db2.gz KQNPPEAYTCYWMS-ZETCQYMHSA-N -1 3 232.190 0.797 20 0 BCADHM COc1n[n-]c(NC(=O)[C@]2(C)CC2(F)F)n1 ZINC000421795845 192383862 /nfs/dbraw/zinc/38/38/62/192383862.db2.gz KQNPPEAYTCYWMS-ZETCQYMHSA-N -1 3 232.190 0.797 20 0 BCADHM CCOC(=O)Cn1[n-]c(C)c(C2CC2)c1=O ZINC000601950141 349396412 /nfs/dbraw/zinc/39/64/12/349396412.db2.gz QBHILRIDTVGUAS-JTQLQIEISA-N -1 3 224.260 0.794 20 0 BCADHM Cc1nc(C)c(CCC(=O)N[C@@H]2C[C@H]2C)c(=O)[n-]1 ZINC000171060500 179908504 /nfs/dbraw/zinc/90/85/04/179908504.db2.gz QYDNUSQASCVCFS-RDDDGLTNSA-N -1 3 249.314 0.844 20 0 BCADHM CCCOCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000603888002 350049326 /nfs/dbraw/zinc/04/93/26/350049326.db2.gz CPRTYOVHIUXOFO-VIFPVBQESA-N -1 3 241.291 0.041 20 0 BCADHM CC1(NC(=O)c2cc(=O)[n-]cn2)CCC1 ZINC000626264077 350051084 /nfs/dbraw/zinc/05/10/84/350051084.db2.gz ZUSFMEAQXJSQEH-UHFFFAOYSA-N -1 3 207.233 0.855 20 0 BCADHM Cc1nc([N-]C(=O)C(=O)c2ccccc2)n(C)n1 ZINC000194935693 180005078 /nfs/dbraw/zinc/00/50/78/180005078.db2.gz WFSGXJIIGDXJKU-UHFFFAOYSA-N -1 3 244.254 0.945 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](O)C(C)C ZINC000354017820 180027440 /nfs/dbraw/zinc/02/74/40/180027440.db2.gz NAJIJCXYDPGHLP-SSDOTTSWSA-N -1 3 241.247 0.152 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]CC(C)C)cn1C ZINC000070267046 180029289 /nfs/dbraw/zinc/02/92/89/180029289.db2.gz JZEMFUQVIHPRFS-UHFFFAOYSA-N -1 3 231.321 0.663 20 0 BCADHM Cc1ncc(C[N-]S(=O)(=O)C2COC2)s1 ZINC000276828464 180154625 /nfs/dbraw/zinc/15/46/25/180154625.db2.gz ARXFEKIMNAMBKH-UHFFFAOYSA-N -1 3 248.329 0.270 20 0 BCADHM Cc1ncccc1CN[C@@]1(C(=O)[O-])CCOC1 ZINC000340681118 180222618 /nfs/dbraw/zinc/22/26/18/180222618.db2.gz PKYWEBGFWMOVIB-LBPRGKRZSA-N -1 3 236.271 0.723 20 0 BCADHM CN1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000040716191 350396199 /nfs/dbraw/zinc/39/61/99/350396199.db2.gz DLIDZFYCLIUQKX-SECBINFHSA-N -1 3 235.287 0.611 20 0 BCADHM Cc1ccc(C(=O)C(=O)[N-]c2nncn2C)cc1 ZINC000162995787 350491367 /nfs/dbraw/zinc/49/13/67/350491367.db2.gz VBFMDSKBHLXPKA-UHFFFAOYSA-N -1 3 244.254 0.945 20 0 BCADHM CS(=O)(=O)[N-]c1cnn(-c2ccccn2)c1 ZINC000606826458 350614071 /nfs/dbraw/zinc/61/40/71/350614071.db2.gz AHGOMKCIDAOMSY-UHFFFAOYSA-N -1 3 238.272 0.639 20 0 BCADHM CC[C@@](C)(CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626279019 350824571 /nfs/dbraw/zinc/82/45/71/350824571.db2.gz LZPQZXNDZZHXDO-JTQLQIEISA-N -1 3 225.248 0.073 20 0 BCADHM Cc1nsc([N-]C(=O)c2nccnc2N)n1 ZINC000309252512 180520870 /nfs/dbraw/zinc/52/08/70/180520870.db2.gz FLLIFPAGPMWAQA-UHFFFAOYSA-N -1 3 236.260 0.471 20 0 BCADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H]1CCNC1=O ZINC000626289621 350889415 /nfs/dbraw/zinc/88/94/15/350889415.db2.gz CEDNOARFSOMRDY-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM CCO[C@H](C(=O)Nc1n[n-]c(OC)n1)C1CC1 ZINC000626333354 350983361 /nfs/dbraw/zinc/98/33/61/350983361.db2.gz MLHGBJCNYULOQC-ZETCQYMHSA-N -1 3 240.263 0.567 20 0 BCADHM CCO[C@H](C(=O)Nc1nnc(OC)[n-]1)C1CC1 ZINC000626333354 350983365 /nfs/dbraw/zinc/98/33/65/350983365.db2.gz MLHGBJCNYULOQC-ZETCQYMHSA-N -1 3 240.263 0.567 20 0 BCADHM CCO[C@H](C(=O)Nc1nc(OC)n[n-]1)C1CC1 ZINC000626333354 350983367 /nfs/dbraw/zinc/98/33/67/350983367.db2.gz MLHGBJCNYULOQC-ZETCQYMHSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)COCC(F)F)n[n-]1 ZINC000626333541 350983384 /nfs/dbraw/zinc/98/33/84/350983384.db2.gz VJQRJVSCWRWFHG-UHFFFAOYSA-N -1 3 236.178 0.034 20 0 BCADHM COc1nnc(NC(=O)COCC(F)F)[n-]1 ZINC000626333541 350983387 /nfs/dbraw/zinc/98/33/87/350983387.db2.gz VJQRJVSCWRWFHG-UHFFFAOYSA-N -1 3 236.178 0.034 20 0 BCADHM COc1n[n-]c(NC(=O)COCC(F)F)n1 ZINC000626333541 350983391 /nfs/dbraw/zinc/98/33/91/350983391.db2.gz VJQRJVSCWRWFHG-UHFFFAOYSA-N -1 3 236.178 0.034 20 0 BCADHM C[C@]1(NC(=O)c2cc(=O)[n-]cn2)CCCOC1 ZINC000626353663 351000044 /nfs/dbraw/zinc/00/00/44/351000044.db2.gz FTKMLJLNTISBPW-NSHDSACASA-N -1 3 237.259 0.481 20 0 BCADHM Cc1cccc(C(=O)NC[C@@H]2CNC(=O)C2)c1[O-] ZINC000398327640 351034577 /nfs/dbraw/zinc/03/45/77/351034577.db2.gz GIBOOKJFKFAESZ-VIFPVBQESA-N -1 3 248.282 0.567 20 0 BCADHM CC[C@@H](OC)C(=O)Nc1nnc(SC)[n-]1 ZINC000263884325 351196703 /nfs/dbraw/zinc/19/67/03/351196703.db2.gz VUGUCCQZGDCVRT-RXMQYKEDSA-N -1 3 230.293 0.890 20 0 BCADHM CC[C@@H](OC)C(=O)Nc1nc(SC)n[n-]1 ZINC000263884325 351196708 /nfs/dbraw/zinc/19/67/08/351196708.db2.gz VUGUCCQZGDCVRT-RXMQYKEDSA-N -1 3 230.293 0.890 20 0 BCADHM CC[C@@H](OC)C(=O)Nc1n[n-]c(SC)n1 ZINC000263884325 351196709 /nfs/dbraw/zinc/19/67/09/351196709.db2.gz VUGUCCQZGDCVRT-RXMQYKEDSA-N -1 3 230.293 0.890 20 0 BCADHM CCN(C)S(=O)(=O)[N-][C@H](C)c1nc(C)no1 ZINC000072709143 351378098 /nfs/dbraw/zinc/37/80/98/351378098.db2.gz QREMFTCENKPNFR-ZCFIWIBFSA-N -1 3 248.308 0.225 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)CCO1 ZINC000623618632 363065244 /nfs/dbraw/zinc/06/52/44/363065244.db2.gz YZIDGFVJIKBQCD-SSDOTTSWSA-N -1 3 223.232 0.043 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@H](C)N1 ZINC000637840373 351695424 /nfs/dbraw/zinc/69/54/24/351695424.db2.gz PEWYEQQPOACYIY-OCAPTIKFSA-N -1 3 236.275 0.005 20 0 BCADHM CC/C=C\C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000577747740 366051822 /nfs/dbraw/zinc/05/18/22/366051822.db2.gz WWFQETMVSQSTPZ-PLNGDYQASA-N -1 3 229.305 0.665 20 0 BCADHM C[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@H](C)N1 ZINC000637840374 351695781 /nfs/dbraw/zinc/69/57/81/351695781.db2.gz PEWYEQQPOACYIY-YUMQZZPRSA-N -1 3 236.275 0.005 20 0 BCADHM CN(C(=O)Cc1cncc([O-])c1)C1CC1 ZINC000577762086 366056575 /nfs/dbraw/zinc/05/65/75/366056575.db2.gz AAHJZUYHJRGOMB-UHFFFAOYSA-N -1 3 206.245 0.951 20 0 BCADHM CC(=O)NCCN(C)Cc1ncccc1[O-] ZINC000575803740 351836741 /nfs/dbraw/zinc/83/67/41/351836741.db2.gz AFEFCWBFZJYQGT-UHFFFAOYSA-N -1 3 223.276 0.355 20 0 BCADHM C[C@H]1NCCN(C(=O)c2cc(=O)[n-]cn2)[C@@H]1C ZINC000638206664 352068883 /nfs/dbraw/zinc/06/88/83/352068883.db2.gz MUWSNPFNFGUBNZ-HTQZYQBOSA-N -1 3 236.275 0.005 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000007376565 363108221 /nfs/dbraw/zinc/10/82/21/363108221.db2.gz QJXYIQTUWXZZHH-UHFFFAOYSA-N -1 3 247.247 0.277 20 0 BCADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCNC1=O ZINC000613331270 363110989 /nfs/dbraw/zinc/11/09/89/363110989.db2.gz KIBMXBHTMGSWHP-ZETCQYMHSA-N -1 3 238.218 0.606 20 0 BCADHM CCN1CCN(C(=O)c2cncc([O-])c2)[C@@H](C)C1 ZINC000288397269 352147511 /nfs/dbraw/zinc/14/75/11/352147511.db2.gz LAUVTXHHRIGSLX-JTQLQIEISA-N -1 3 249.314 0.953 20 0 BCADHM CC(C)[C@H]1CNCCN1C(=O)c1ncccc1[O-] ZINC000638490389 352299926 /nfs/dbraw/zinc/29/99/26/352299926.db2.gz XCJGQKNFZCNWDG-SNVBAGLBSA-N -1 3 249.314 0.857 20 0 BCADHM CC(=O)NCCNC(=O)c1ccc(C)cc1[O-] ZINC000035133966 187767380 /nfs/dbraw/zinc/76/73/80/187767380.db2.gz VZBLKUAEXMPUOM-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM Cn1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)cn1 ZINC000334231348 352849118 /nfs/dbraw/zinc/84/91/18/352849118.db2.gz UISXDXFORFSGFG-HTQZYQBOSA-N -1 3 247.295 0.589 20 0 BCADHM Cn1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)cn1 ZINC000334231351 352849151 /nfs/dbraw/zinc/84/91/51/352849151.db2.gz UISXDXFORFSGFG-SFYZADRCSA-N -1 3 247.295 0.589 20 0 BCADHM O=C(NCC1(CO)CC1)c1c([O-])cccc1O ZINC000092124839 538106087 /nfs/dbraw/zinc/10/60/87/538106087.db2.gz GNLJBWPLBQCDTG-UHFFFAOYSA-N -1 3 237.255 0.600 20 0 BCADHM COC[C@H](N=c1ncnc2[nH][n-]cc1-2)C(C)C ZINC000608088210 353073900 /nfs/dbraw/zinc/07/39/00/353073900.db2.gz NLCPGURZAVBDON-VIFPVBQESA-N -1 3 235.291 0.809 20 0 BCADHM Cn1nncc1CNCc1cc([O-])cc(F)c1 ZINC000288508567 180868731 /nfs/dbraw/zinc/86/87/31/180868731.db2.gz SOYYJRYYTOWCED-UHFFFAOYSA-N -1 3 236.250 0.950 20 0 BCADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCO1 ZINC000182082868 188168766 /nfs/dbraw/zinc/16/87/66/188168766.db2.gz FBAVVMQLFAPEQI-UHFFFAOYSA-N -1 3 246.222 0.348 20 0 BCADHM CC(C)[C@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000336742259 188184563 /nfs/dbraw/zinc/18/45/63/188184563.db2.gz OCZAYDRGYSJWGD-QMMMGPOBSA-N -1 3 221.264 0.155 20 0 BCADHM C[C@@H]1CC(CNC(=O)c2c[n-]nn2)C[C@@H](C)O1 ZINC000281769324 188205992 /nfs/dbraw/zinc/20/59/92/188205992.db2.gz UKRXICRLCKYUCP-HTQZYQBOSA-N -1 3 238.291 0.738 20 0 BCADHM C[C@@H]1CC(CNC(=O)c2cnn[n-]2)C[C@@H](C)O1 ZINC000281769324 188205993 /nfs/dbraw/zinc/20/59/93/188205993.db2.gz UKRXICRLCKYUCP-HTQZYQBOSA-N -1 3 238.291 0.738 20 0 BCADHM C[C@@H]1CC(CNC(=O)c2cn[n-]n2)C[C@@H](C)O1 ZINC000281769324 188205995 /nfs/dbraw/zinc/20/59/95/188205995.db2.gz UKRXICRLCKYUCP-HTQZYQBOSA-N -1 3 238.291 0.738 20 0 BCADHM Oc1[n-]c(NCCC2(O)CCC2)nc2nncc1-2 ZINC000286819408 188208164 /nfs/dbraw/zinc/20/81/64/188208164.db2.gz WWXAUNNGWSSSNN-UHFFFAOYSA-N -1 3 249.274 0.776 20 0 BCADHM Cc1cc(CC(=O)NCc2ncccc2[O-])no1 ZINC000352506956 188230179 /nfs/dbraw/zinc/23/01/79/188230179.db2.gz IUPUSUHCMMIXAB-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM COCc1nc(S[C@H](C)C(=O)N(C)C)n[n-]1 ZINC000353828286 353833374 /nfs/dbraw/zinc/83/33/74/353833374.db2.gz IISUVLIFOMITOE-ZCFIWIBFSA-N -1 3 244.320 0.520 20 0 BCADHM CCC[C@H](NC(=O)c1csc(=O)[n-]1)C(N)=O ZINC000343455069 353894161 /nfs/dbraw/zinc/89/41/61/353894161.db2.gz PPWLTUJBKQQCEN-YFKPBYRVSA-N -1 3 243.288 0.233 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCCOC1 ZINC000627122252 363291107 /nfs/dbraw/zinc/29/11/07/363291107.db2.gz VVVJBCPBPBMWCV-UHFFFAOYSA-N -1 3 209.205 0.002 20 0 BCADHM Cc1nnc([C@H](C)N=c2ncnc3[nH][n-]cc2-3)[nH]1 ZINC000343925164 354044152 /nfs/dbraw/zinc/04/41/52/354044152.db2.gz ARESLCSNRRUWGN-YFKPBYRVSA-N -1 3 244.262 0.326 20 0 BCADHM C[C@H]1CC[C@H](CNC(=O)c2c[n-]nn2)C1 ZINC000230505753 363312084 /nfs/dbraw/zinc/31/20/84/363312084.db2.gz MALFCIFIIIPCOC-YUMQZZPRSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@H]1CC[C@H](CNC(=O)c2cnn[n-]2)C1 ZINC000230505753 363312089 /nfs/dbraw/zinc/31/20/89/363312089.db2.gz MALFCIFIIIPCOC-YUMQZZPRSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@H]1CC[C@H](CNC(=O)c2cn[n-]n2)C1 ZINC000230505753 363312094 /nfs/dbraw/zinc/31/20/94/363312094.db2.gz MALFCIFIIIPCOC-YUMQZZPRSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@@H]1CC[C@@H](CNC(=O)c2c[n-]nn2)C1 ZINC000230505663 363312788 /nfs/dbraw/zinc/31/27/88/363312788.db2.gz MALFCIFIIIPCOC-HTQZYQBOSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@@H]1CC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC000230505663 363312791 /nfs/dbraw/zinc/31/27/91/363312791.db2.gz MALFCIFIIIPCOC-HTQZYQBOSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@@H]1CC[C@@H](CNC(=O)c2cn[n-]n2)C1 ZINC000230505663 363312794 /nfs/dbraw/zinc/31/27/94/363312794.db2.gz MALFCIFIIIPCOC-HTQZYQBOSA-N -1 3 208.265 0.971 20 0 BCADHM CO[C@H](C)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344127871 354146646 /nfs/dbraw/zinc/14/66/46/354146646.db2.gz WZMKGFUFKIYIBD-BDAKNGLRSA-N -1 3 240.307 0.725 20 0 BCADHM CCCN(C)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000261561523 535255610 /nfs/dbraw/zinc/25/56/10/535255610.db2.gz ARMIPLWKEVJNCL-JTQLQIEISA-N -1 3 230.308 0.554 20 0 BCADHM Cc1ncc(CNCc2cnn(C)c2)c(=O)[n-]1 ZINC000344328299 354225015 /nfs/dbraw/zinc/22/50/15/354225015.db2.gz LGAZYHQAAGVWNP-UHFFFAOYSA-N -1 3 233.275 0.514 20 0 BCADHM C[C@@]1(NCc2n[nH]c(=O)[n-]2)CCO[C@H]1C1CC1 ZINC000344336617 354231983 /nfs/dbraw/zinc/23/19/83/354231983.db2.gz MUKMMLSXMSTPEC-GXSJLCMTSA-N -1 3 238.291 0.558 20 0 BCADHM CO[C@@](C)([C@H](C)NC(=O)c1c[n-]nn1)C1CC1 ZINC000412614901 191300739 /nfs/dbraw/zinc/30/07/39/191300739.db2.gz QWOVHZWLLSPGIC-CPCISQLKSA-N -1 3 238.291 0.738 20 0 BCADHM CO[C@@](C)([C@H](C)NC(=O)c1cnn[n-]1)C1CC1 ZINC000412614901 191300741 /nfs/dbraw/zinc/30/07/41/191300741.db2.gz QWOVHZWLLSPGIC-CPCISQLKSA-N -1 3 238.291 0.738 20 0 BCADHM CO[C@@](C)([C@H](C)NC(=O)c1cn[n-]n1)C1CC1 ZINC000412614901 191300742 /nfs/dbraw/zinc/30/07/42/191300742.db2.gz QWOVHZWLLSPGIC-CPCISQLKSA-N -1 3 238.291 0.738 20 0 BCADHM CCCN(C)CC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000578070129 366217663 /nfs/dbraw/zinc/21/76/63/366217663.db2.gz IHGUNZVIFDOVBK-VIFPVBQESA-N -1 3 230.308 0.507 20 0 BCADHM Cn1cc(CCC(=O)Nc2ccncc2[O-])cn1 ZINC000345383804 354646981 /nfs/dbraw/zinc/64/69/81/354646981.db2.gz WFMMYCVJPSESRY-UHFFFAOYSA-N -1 3 246.270 0.514 20 0 BCADHM COCCCCC(=O)Nc1ccncc1[O-] ZINC000345375065 354655964 /nfs/dbraw/zinc/65/59/64/354655964.db2.gz AVAAUTPZQAECPO-UHFFFAOYSA-N -1 3 224.260 0.964 20 0 BCADHM Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@@H](O)C2)on1 ZINC000074324771 354607696 /nfs/dbraw/zinc/60/76/96/354607696.db2.gz HWVISHWAYOHEPF-RKDXNWHRSA-N -1 3 239.275 0.377 20 0 BCADHM Cn1nccc1S(=O)(=O)[N-]c1ccncc1 ZINC000345670888 354740890 /nfs/dbraw/zinc/74/08/90/354740890.db2.gz YBKFATBBTUBDJQ-UHFFFAOYSA-N -1 3 238.272 0.038 20 0 BCADHM C[C@]1(CCCO)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000345956704 354820005 /nfs/dbraw/zinc/82/00/05/354820005.db2.gz LWJFGJLVVAIXNA-LLVKDONJSA-N -1 3 240.307 0.637 20 0 BCADHM O=C(Nc1nnn[n-]1)c1cccc2n[nH]cc21 ZINC000346390006 354907616 /nfs/dbraw/zinc/90/76/16/354907616.db2.gz ZBXIDPFZHUCZRG-UHFFFAOYSA-N -1 3 229.203 0.328 20 0 BCADHM CC(=O)CCCC(=O)Nc1ccncc1[O-] ZINC000352005041 134034628 /nfs/dbraw/zinc/03/46/28/134034628.db2.gz XNBJOKMZEHJLDX-UHFFFAOYSA-N -1 3 222.244 0.907 20 0 BCADHM COC(=O)[C@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000413564804 191398618 /nfs/dbraw/zinc/39/86/18/191398618.db2.gz UQZCQVMYSHUXEU-KNVOCYPGSA-N -1 3 247.258 0.090 20 0 BCADHM Cn1c(=O)[n-]nc1SC[C@H]1CCOC1 ZINC000335988926 134039545 /nfs/dbraw/zinc/03/95/45/134039545.db2.gz UHQQOSDPIJFHEM-LURJTMIESA-N -1 3 215.278 0.649 20 0 BCADHM CC(C)C[C@@H]1CCCN1CC(=O)NCC(=O)[O-] ZINC000262169016 535284134 /nfs/dbraw/zinc/28/41/34/535284134.db2.gz DACXDBYKHAJXCM-JTQLQIEISA-N -1 3 242.319 0.698 20 0 BCADHM Cn1[n-]c(CN2C[C@@H]3[C@H](C2)C3(C)C)nc1=O ZINC000335856117 355600648 /nfs/dbraw/zinc/60/06/48/355600648.db2.gz YJFPLKDQLHGRAE-OCAPTIKFSA-N -1 3 222.292 0.196 20 0 BCADHM O=C(N[C@H](CO)c1ccsc1)c1c[n-]nn1 ZINC000352044253 134046052 /nfs/dbraw/zinc/04/60/52/134046052.db2.gz GTHWMIYDHZYAQY-MRVPVSSYSA-N -1 3 238.272 0.330 20 0 BCADHM O=C(N[C@H](CO)c1ccsc1)c1cnn[n-]1 ZINC000352044253 134046053 /nfs/dbraw/zinc/04/60/53/134046053.db2.gz GTHWMIYDHZYAQY-MRVPVSSYSA-N -1 3 238.272 0.330 20 0 BCADHM O=C(N[C@H](CO)c1ccsc1)c1cn[n-]n1 ZINC000352044253 134046054 /nfs/dbraw/zinc/04/60/54/134046054.db2.gz GTHWMIYDHZYAQY-MRVPVSSYSA-N -1 3 238.272 0.330 20 0 BCADHM CN(C(=O)c1ccccc1[O-])C1CC(O)C1 ZINC000335871716 355638622 /nfs/dbraw/zinc/63/86/22/355638622.db2.gz WYVPJZJOLOQZFI-UHFFFAOYSA-N -1 3 221.256 0.988 20 0 BCADHM C[C@@H](C(=O)[O-])N(C(=O)[C@@H](N)C1CCC1)C1CC1 ZINC000399155135 355771366 /nfs/dbraw/zinc/77/13/66/355771366.db2.gz COANNLANUFNYRM-XVKPBYJWSA-N -1 3 240.303 0.578 20 0 BCADHM Cn1nnnc1C[S@](=O)c1cccc([O-])c1 ZINC000350559113 355727500 /nfs/dbraw/zinc/72/75/00/355727500.db2.gz RMEBQVIOOZVENI-INIZCTEOSA-N -1 3 238.272 0.224 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@](F)(CO)C1 ZINC000336024575 134056734 /nfs/dbraw/zinc/05/67/34/134056734.db2.gz QFLCZWZWXPEPTE-GFCCVEGCSA-N -1 3 239.246 0.939 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC(CO)C1 ZINC000626435953 355856033 /nfs/dbraw/zinc/85/60/33/355856033.db2.gz WBJCQEFDJFEPFE-UHFFFAOYSA-N -1 3 221.256 0.765 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H](O)C1 ZINC000035187181 355877854 /nfs/dbraw/zinc/87/78/54/355877854.db2.gz SVRBXQPGYNXXBE-SECBINFHSA-N -1 3 246.270 0.555 20 0 BCADHM NC(=O)CC(=O)Nc1ccc([O-])cc1F ZINC000358145555 181218683 /nfs/dbraw/zinc/21/86/83/181218683.db2.gz FTVUTQHFVMPFIO-UHFFFAOYSA-N -1 3 212.180 0.345 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)[C@@H]1CCCOC1 ZINC000389267782 355943249 /nfs/dbraw/zinc/94/32/49/355943249.db2.gz DTNOJVVEGUMIMC-HTQZYQBOSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)[C@@H]1CCCOC1 ZINC000389267782 355943251 /nfs/dbraw/zinc/94/32/51/355943251.db2.gz DTNOJVVEGUMIMC-HTQZYQBOSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@@H]1CCCOC1 ZINC000389267782 355943256 /nfs/dbraw/zinc/94/32/56/355943256.db2.gz DTNOJVVEGUMIMC-HTQZYQBOSA-N -1 3 224.264 0.350 20 0 BCADHM O=C(Nc1nnn[n-]1)c1cccc2cn[nH]c21 ZINC000351669237 356050348 /nfs/dbraw/zinc/05/03/48/356050348.db2.gz CWVVYFZDPWZIFR-UHFFFAOYSA-N -1 3 229.203 0.328 20 0 BCADHM O=C(Nc1nnn[n-]1)c1cccc2c[nH]nc21 ZINC000351669237 356050351 /nfs/dbraw/zinc/05/03/51/356050351.db2.gz CWVVYFZDPWZIFR-UHFFFAOYSA-N -1 3 229.203 0.328 20 0 BCADHM O=C(Nc1nn[n-]n1)c1cccc2cn[nH]c21 ZINC000351669237 356050356 /nfs/dbraw/zinc/05/03/56/356050356.db2.gz CWVVYFZDPWZIFR-UHFFFAOYSA-N -1 3 229.203 0.328 20 0 BCADHM CCN(C(=O)c1cncc([O-])c1)[C@H]1CCN(C)C1 ZINC000617551497 356106843 /nfs/dbraw/zinc/10/68/43/356106843.db2.gz SJRQLEXXWMKOIF-NSHDSACASA-N -1 3 249.314 0.953 20 0 BCADHM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C)C1 ZINC000617552387 356107871 /nfs/dbraw/zinc/10/78/71/356107871.db2.gz NAEQPGKXMXLARG-SNVBAGLBSA-N -1 3 249.314 0.953 20 0 BCADHM NC(=O)NCCC(=O)Nc1ccccc1[O-] ZINC000244373630 181258105 /nfs/dbraw/zinc/25/81/05/181258105.db2.gz YAHQOMPNWCAHMC-UHFFFAOYSA-N -1 3 223.232 0.389 20 0 BCADHM C[C@H]1CCN(C(=O)c2csc(=O)[n-]2)[C@H]1CO ZINC000329920341 356144813 /nfs/dbraw/zinc/14/48/13/356144813.db2.gz GYJQTIOUWMQWLU-XPUUQOCRSA-N -1 3 242.300 0.692 20 0 BCADHM C[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335915075 356151986 /nfs/dbraw/zinc/15/19/86/356151986.db2.gz KQOZNMQCPWNSRJ-QMMMGPOBSA-N -1 3 210.281 0.340 20 0 BCADHM NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000019839203 181269208 /nfs/dbraw/zinc/26/92/08/181269208.db2.gz XIPPTGSWVUWEDW-SECBINFHSA-N -1 3 248.282 0.730 20 0 BCADHM NC(=O)[C@@H]1CCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186154436 181270613 /nfs/dbraw/zinc/27/06/13/181270613.db2.gz PWBNMTFGWSNQIK-SECBINFHSA-N -1 3 238.262 0.839 20 0 BCADHM CC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000336506810 356382993 /nfs/dbraw/zinc/38/29/93/356382993.db2.gz PAYBAWLMAWOYEF-MRVPVSSYSA-N -1 3 210.281 0.483 20 0 BCADHM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000332981786 356447842 /nfs/dbraw/zinc/44/78/42/356447842.db2.gz XABFVPYFANXPLN-BQBZGAKWSA-N -1 3 242.300 0.738 20 0 BCADHM CC[C@H](O)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000420746043 192260025 /nfs/dbraw/zinc/26/00/25/192260025.db2.gz MQSXGAHVILSWBC-QMMMGPOBSA-N -1 3 233.289 0.637 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)C[C@@H]1C=CCC1 ZINC000291383710 181285799 /nfs/dbraw/zinc/28/57/99/181285799.db2.gz BKPCFHGLJSAWDY-ZCFIWIBFSA-N -1 3 235.247 0.198 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)C[C@@H]1C=CCC1 ZINC000291383710 181285802 /nfs/dbraw/zinc/28/58/02/181285802.db2.gz BKPCFHGLJSAWDY-ZCFIWIBFSA-N -1 3 235.247 0.198 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)C[C@@H]1C=CCC1 ZINC000291383710 181285806 /nfs/dbraw/zinc/28/58/06/181285806.db2.gz BKPCFHGLJSAWDY-ZCFIWIBFSA-N -1 3 235.247 0.198 20 0 BCADHM C[C@@H]1CC[C@H](C(=O)[N-]c2nncn2C)O1 ZINC000163080366 202171667 /nfs/dbraw/zinc/17/16/67/202171667.db2.gz CLNBFBOIICMREX-RNFRBKRXSA-N -1 3 210.237 0.321 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@H](C)O1 ZINC000623347545 356760113 /nfs/dbraw/zinc/76/01/13/356760113.db2.gz DMTIWZQNZWBBBP-OCAPTIKFSA-N -1 3 237.259 0.432 20 0 BCADHM CC[C@@H]1CCCCCN1CC(=O)NCC(=O)[O-] ZINC000358429204 356868114 /nfs/dbraw/zinc/86/81/14/356868114.db2.gz POFBATJLPAMGSN-SNVBAGLBSA-N -1 3 242.319 0.842 20 0 BCADHM C[C@@]1(CO)CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000626453838 356977760 /nfs/dbraw/zinc/97/77/60/356977760.db2.gz YWSFGTJBLQSTKU-NSHDSACASA-N -1 3 237.259 0.169 20 0 BCADHM FCC(CF)N=c1ncnc2[nH][n-]cc1-2 ZINC000450597301 202207515 /nfs/dbraw/zinc/20/75/15/202207515.db2.gz YPTCFQKXIFBVDE-UHFFFAOYSA-N -1 3 213.191 0.446 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)CC1CC1)C(=O)OC ZINC000389652495 357010394 /nfs/dbraw/zinc/01/03/94/357010394.db2.gz WWKWVNYPGJLZKF-QMMMGPOBSA-N -1 3 235.305 0.267 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)CC1CC1)C(=O)OC ZINC000389652394 357010414 /nfs/dbraw/zinc/01/04/14/357010414.db2.gz WWKWVNYPGJLZKF-MRVPVSSYSA-N -1 3 235.305 0.267 20 0 BCADHM COCC1=CCN(C(=O)c2cc(=O)[n-]cn2)CC1 ZINC000626505604 357142492 /nfs/dbraw/zinc/14/24/92/357142492.db2.gz RCOBIONXBAFLSZ-UHFFFAOYSA-N -1 3 249.270 0.601 20 0 BCADHM COc1ccc(NC(=O)c2ncn(C)n2)c([O-])c1 ZINC000356016548 538805256 /nfs/dbraw/zinc/80/52/56/538805256.db2.gz YTEVYRVLCYACQV-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM CC(C)[C@@H](CO)CNc1ccncc1C(=O)[O-] ZINC000394180849 357335349 /nfs/dbraw/zinc/33/53/49/357335349.db2.gz UAKZBJOITLJWBQ-SECBINFHSA-N -1 3 238.287 0.878 20 0 BCADHM COC[C@@](C)(O)CNC(=O)c1ccccc1[O-] ZINC000394649432 357366589 /nfs/dbraw/zinc/36/65/89/357366589.db2.gz OHEUTVJLHBBEFE-LBPRGKRZSA-N -1 3 239.271 0.519 20 0 BCADHM COC(=O)[C@@H]([N-]S(=O)(=O)C1CC1)C(C)(C)C ZINC000610264325 357396471 /nfs/dbraw/zinc/39/64/71/357396471.db2.gz QYFLEFIBZMLQKM-MRVPVSSYSA-N -1 3 249.332 0.656 20 0 BCADHM O=C(NCC1(CCO)CC1)c1cc(=O)[n-]cn1 ZINC000626533056 357485067 /nfs/dbraw/zinc/48/50/67/357485067.db2.gz CJGSMUIOJXQJNF-UHFFFAOYSA-N -1 3 237.259 0.075 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCC(=O)CC1 ZINC000583214215 357563773 /nfs/dbraw/zinc/56/37/73/357563773.db2.gz SPFXDKZATVJKAN-UHFFFAOYSA-N -1 3 234.255 0.521 20 0 BCADHM CC(C)(C)n1cc(C(=O)[N-]c2nc[nH]n2)nn1 ZINC000188969450 357598567 /nfs/dbraw/zinc/59/85/67/357598567.db2.gz PWNPWFVARMDTSY-UHFFFAOYSA-N -1 3 235.251 0.404 20 0 BCADHM CC(C)OCCCNC(=O)c1cc(=O)[n-]cn1 ZINC000623413221 357656225 /nfs/dbraw/zinc/65/62/25/357656225.db2.gz ONHGRBDTUPWIHD-UHFFFAOYSA-N -1 3 239.275 0.727 20 0 BCADHM CNC(=O)CNC(=O)c1cc([O-])ccc1Cl ZINC000234340789 357788763 /nfs/dbraw/zinc/78/87/63/357788763.db2.gz YDULKDBHEOLTTM-UHFFFAOYSA-N -1 3 242.662 0.521 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@@H](N)C1CCC1 ZINC000399110056 357896224 /nfs/dbraw/zinc/89/62/24/357896224.db2.gz YXJMYFFLJAHDTM-JTQLQIEISA-N -1 3 228.292 0.437 20 0 BCADHM CS[C@H](C)C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000584718600 358160330 /nfs/dbraw/zinc/16/03/30/358160330.db2.gz XHKZMNYKEJAWAP-SSDOTTSWSA-N -1 3 249.361 0.450 20 0 BCADHM Cn1cnnc1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000640118349 358198701 /nfs/dbraw/zinc/19/87/01/358198701.db2.gz AWPUQLWVWGIGTI-UHFFFAOYSA-N -1 3 233.231 0.933 20 0 BCADHM C[C@@H](CC(C)(C)O)N=c1ncnc2[nH][n-]cc1-2 ZINC000450689357 202234190 /nfs/dbraw/zinc/23/41/90/202234190.db2.gz XUBNHMXJODTIEG-ZETCQYMHSA-N -1 3 235.291 0.688 20 0 BCADHM CCC[C@@H](N)C(=O)N(CC(=O)[O-])[C@@H](C)CC ZINC000040486122 358237597 /nfs/dbraw/zinc/23/75/97/358237597.db2.gz QTZRFVGXUKOCPU-DTWKUNHWSA-N -1 3 230.308 0.826 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]CCCF ZINC000134513812 325362872 /nfs/dbraw/zinc/36/28/72/325362872.db2.gz UUYMEJWZOIRUFH-UHFFFAOYSA-N -1 3 236.268 0.929 20 0 BCADHM O=C([O-])[C@H]1CCCN1C[C@@H](O)C(F)(F)F ZINC000225442295 358300502 /nfs/dbraw/zinc/30/05/02/358300502.db2.gz IBNAZJMCNBYRJQ-PHDIDXHHSA-N -1 3 227.182 0.459 20 0 BCADHM CCC[C@H](C)N1CCO[C@@H](C(=O)[O-])C1 ZINC000226452166 358339850 /nfs/dbraw/zinc/33/98/50/358339850.db2.gz LUUNUBQXJFCYSO-DTWKUNHWSA-N -1 3 201.266 0.960 20 0 BCADHM C[C@H](C[S@](C)=O)Nc1ccncc1C(=O)[O-] ZINC000229012249 358344296 /nfs/dbraw/zinc/34/42/96/358344296.db2.gz KMHTYXZDAGFHNC-QZTNRIJFSA-N -1 3 242.300 0.959 20 0 BCADHM O=C([O-])c1cnccc1NC[C@@]1(O)CCOC1 ZINC000227168417 358350730 /nfs/dbraw/zinc/35/07/30/358350730.db2.gz GJUTXZIIQOCYKV-NSHDSACASA-N -1 3 238.243 0.343 20 0 BCADHM Cn1cnnc1NC(=O)Cc1cncc([O-])c1 ZINC000578214774 366447637 /nfs/dbraw/zinc/44/76/37/366447637.db2.gz CILKFHOKSCTYMH-UHFFFAOYSA-N -1 3 233.231 0.097 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)OC(C)(C)C ZINC000230739054 358411058 /nfs/dbraw/zinc/41/10/58/358411058.db2.gz BOHBJVSYROFXON-UHFFFAOYSA-N -1 3 246.307 0.870 20 0 BCADHM O=C([O-])[C@H]1CCCN1C[C@H](O)C(F)(F)F ZINC000073996607 358418527 /nfs/dbraw/zinc/41/85/27/358418527.db2.gz IBNAZJMCNBYRJQ-RITPCOANSA-N -1 3 227.182 0.459 20 0 BCADHM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000048673908 358646641 /nfs/dbraw/zinc/64/66/41/358646641.db2.gz MMEHYBWPWBORRK-ZCFIWIBFSA-N -1 3 248.329 0.161 20 0 BCADHM CCNC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000133101812 358745222 /nfs/dbraw/zinc/74/52/22/358745222.db2.gz VJBUGANYWOYWLU-UHFFFAOYSA-N -1 3 220.232 0.424 20 0 BCADHM CCN1CCN(Cc2ncccc2[O-])CC1 ZINC000578263787 366472819 /nfs/dbraw/zinc/47/28/19/366472819.db2.gz VDBWLVDZTJCOMS-UHFFFAOYSA-N -1 3 221.304 0.925 20 0 BCADHM CC[C@H](O)Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351370732 366518685 /nfs/dbraw/zinc/51/86/85/366518685.db2.gz MZLBYIFPNMCEBL-LURJTMIESA-N -1 3 236.231 0.546 20 0 BCADHM CCN(CC)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947889 359036853 /nfs/dbraw/zinc/03/68/53/359036853.db2.gz OGTNZYHEQMCQCV-UHFFFAOYSA-N -1 3 246.336 0.030 20 0 BCADHM COc1ccc(NC(=O)[C@@H]2CC(=O)N2)c([O-])c1 ZINC000613832562 363657463 /nfs/dbraw/zinc/65/74/63/363657463.db2.gz CHOBZOBACKIWKV-QMMMGPOBSA-N -1 3 236.227 0.228 20 0 BCADHM CC1(C)CN(C(=O)c2cc(=O)[n-]cn2)C[C@@H]1O ZINC000626714896 359528442 /nfs/dbraw/zinc/52/84/42/359528442.db2.gz NFWYOFOZLBQKRI-QMMMGPOBSA-N -1 3 237.259 0.025 20 0 BCADHM C[C@H]1C[C@H](C)N1C(=O)c1cc(=O)[n-]cn1 ZINC000626725503 359581570 /nfs/dbraw/zinc/58/15/70/359581570.db2.gz BAOSOEOSHBWXMZ-BQBZGAKWSA-N -1 3 207.233 0.805 20 0 BCADHM CC[C@H](N=c1ncnc2[nH][n-]cc1-2)[C@H](C)O ZINC000450787155 202266227 /nfs/dbraw/zinc/26/62/27/202266227.db2.gz BDYWYQFHYLSTNP-XPUUQOCRSA-N -1 3 221.264 0.298 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC000632449144 359780320 /nfs/dbraw/zinc/78/03/20/359780320.db2.gz RXURDSVSXYJLJS-VXNVDRBHSA-N -1 3 247.316 0.205 20 0 BCADHM C[C@H](CCO)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000612458681 359850885 /nfs/dbraw/zinc/85/08/85/359850885.db2.gz MIRRGODEIKOPMX-SSDOTTSWSA-N -1 3 249.270 0.769 20 0 BCADHM COc1ncccc1NC(=O)c1nc[n-]n1 ZINC000087443019 359912266 /nfs/dbraw/zinc/91/22/66/359912266.db2.gz WQGXKCHAPFDGJK-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM CCC(=O)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578666122 366624378 /nfs/dbraw/zinc/62/43/78/366624378.db2.gz ZLJXBXANAULBTA-UHFFFAOYSA-N -1 3 249.270 0.769 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000612635166 359954166 /nfs/dbraw/zinc/95/41/66/359954166.db2.gz GISXJIXLPBUUCZ-OCAPTIKFSA-N -1 3 249.270 0.313 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cncc([O-])c2)CCN1C ZINC000091437550 360115826 /nfs/dbraw/zinc/11/58/26/360115826.db2.gz LKXCHDWBBHFDPD-MWLCHTKSSA-N -1 3 249.314 1.000 20 0 BCADHM C[C@H](CO)N(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000612920693 360181692 /nfs/dbraw/zinc/18/16/92/360181692.db2.gz JPTUJUGRRSUUFU-SSDOTTSWSA-N -1 3 249.270 0.721 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C[C@H]2CC(=O)N2)n1 ZINC000614164279 363727752 /nfs/dbraw/zinc/72/77/52/363727752.db2.gz LXNVSNNOEBBTBT-SSDOTTSWSA-N -1 3 235.243 0.313 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCNC2=O)n1 ZINC000614164553 363727823 /nfs/dbraw/zinc/72/78/23/363727823.db2.gz PECLCGATSAHGDI-ZETCQYMHSA-N -1 3 235.243 0.170 20 0 BCADHM C[C@H](NC(=O)Cc1cncc([O-])c1)c1ncon1 ZINC000613144535 360447232 /nfs/dbraw/zinc/44/72/32/360447232.db2.gz AFUPNHLZBURWBC-ZETCQYMHSA-N -1 3 248.242 0.590 20 0 BCADHM C[C@@H](O)C(C)(C)NC(=O)Cc1cncc([O-])c1 ZINC000613173677 360479216 /nfs/dbraw/zinc/47/92/16/360479216.db2.gz MIXKBSGOIIDCOR-MRVPVSSYSA-N -1 3 238.287 0.605 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCC(=O)CC1 ZINC000622032241 370669687 /nfs/dbraw/zinc/66/96/87/370669687.db2.gz DBBXGYZGFKPTLL-UHFFFAOYSA-N -1 3 238.218 0.731 20 0 BCADHM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C)c1[O-] ZINC000628647919 360592858 /nfs/dbraw/zinc/59/28/58/360592858.db2.gz XLANGZMPHDFXGE-MRVPVSSYSA-N -1 3 238.291 0.248 20 0 BCADHM O=C(Nc1cnn(CCF)c1)c1cnn[n-]1 ZINC000628760384 360634374 /nfs/dbraw/zinc/63/43/74/360634374.db2.gz IQORXSMLOARSTP-UHFFFAOYSA-N -1 3 224.199 0.223 20 0 BCADHM O=C(Nc1cnn(CCF)c1)c1c[n-]nn1 ZINC000628760384 360634378 /nfs/dbraw/zinc/63/43/78/360634378.db2.gz IQORXSMLOARSTP-UHFFFAOYSA-N -1 3 224.199 0.223 20 0 BCADHM O=C(Nc1cnn(CCF)c1)c1cn[n-]n1 ZINC000628760384 360634387 /nfs/dbraw/zinc/63/43/87/360634387.db2.gz IQORXSMLOARSTP-UHFFFAOYSA-N -1 3 224.199 0.223 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@H]2COCCC2=O)c1 ZINC000628869799 360712177 /nfs/dbraw/zinc/71/21/77/360712177.db2.gz NMOBPSPXRSBSEW-SNVBAGLBSA-N -1 3 249.266 0.788 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)c1cccs1 ZINC000362409108 181313597 /nfs/dbraw/zinc/31/35/97/181313597.db2.gz CNYDWXCBXOCNKB-UHFFFAOYSA-N -1 3 237.244 0.217 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)c1cccs1 ZINC000362409108 181313598 /nfs/dbraw/zinc/31/35/98/181313598.db2.gz CNYDWXCBXOCNKB-UHFFFAOYSA-N -1 3 237.244 0.217 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)c1cccs1 ZINC000362409108 181313600 /nfs/dbraw/zinc/31/36/00/181313600.db2.gz CNYDWXCBXOCNKB-UHFFFAOYSA-N -1 3 237.244 0.217 20 0 BCADHM O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cc(=O)[n-]cn1 ZINC000629119007 360885850 /nfs/dbraw/zinc/88/58/50/360885850.db2.gz HOAFGTMZULLARN-PSASIEDQSA-N -1 3 249.270 0.480 20 0 BCADHM CS(=O)(=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000629180799 360928417 /nfs/dbraw/zinc/92/84/17/360928417.db2.gz HJHRVMVLCNAHFY-UHFFFAOYSA-N -1 3 228.273 0.604 20 0 BCADHM C[C@@H]1C[C@@H]1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000629370578 361018154 /nfs/dbraw/zinc/01/81/54/361018154.db2.gz MKHSZEVRNGMTKT-KYXWUPHJSA-N -1 3 213.277 0.816 20 0 BCADHM C[C@H]1C[C@@H]1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000629370576 361018243 /nfs/dbraw/zinc/01/82/43/361018243.db2.gz MKHSZEVRNGMTKT-JLIMGVALSA-N -1 3 213.277 0.816 20 0 BCADHM C[C@@H](CO)CN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000629366583 361021578 /nfs/dbraw/zinc/02/15/78/361021578.db2.gz VNNRQLIWFCUCQK-LDYMZIIASA-N -1 3 239.271 0.892 20 0 BCADHM COC[C@@]1(C)CN([C@@H](C(=O)[O-])C2CC2)CCO1 ZINC000629379396 361027551 /nfs/dbraw/zinc/02/75/51/361027551.db2.gz OPDSLYHINONPGV-ZYHUDNBSSA-N -1 3 243.303 0.587 20 0 BCADHM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2C)c1[O-] ZINC000629455515 361079660 /nfs/dbraw/zinc/07/96/60/361079660.db2.gz XLANGZMPHDFXGE-QMMMGPOBSA-N -1 3 238.291 0.248 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC000613208516 361228966 /nfs/dbraw/zinc/22/89/66/361228966.db2.gz VPPINRKZFVLKSN-MRVPVSSYSA-N -1 3 249.270 0.663 20 0 BCADHM CC[C@H](CO)N(C)C(=O)c1cc(F)c[n-]c1=O ZINC000622072366 370693203 /nfs/dbraw/zinc/69/32/03/370693203.db2.gz PGZFICGEAUYBPQ-MRVPVSSYSA-N -1 3 242.250 0.769 20 0 BCADHM CCn1cnc(C(=O)NCc2ncccc2[O-])c1 ZINC000614255528 363772370 /nfs/dbraw/zinc/77/23/70/363772370.db2.gz SWCZSSHRHQFHDD-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM CCn1c(=O)[n-]nc1SC[C@@H]1CNC(=O)C1 ZINC000579253424 366748553 /nfs/dbraw/zinc/74/85/53/366748553.db2.gz STCRGWDZJRASTM-LURJTMIESA-N -1 3 242.304 0.232 20 0 BCADHM Cc1ncc(CNC(=O)c2cncn2C)c(=O)[n-]1 ZINC000579366153 366771120 /nfs/dbraw/zinc/77/11/20/366771120.db2.gz KFFBBLXRLUXNLK-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccccn1 ZINC000632630174 361425801 /nfs/dbraw/zinc/42/58/01/361425801.db2.gz HEPWGSCYUFQFKY-HTQZYQBOSA-N -1 3 212.274 0.768 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)NCCN(C)C1CC1 ZINC000579479384 366825101 /nfs/dbraw/zinc/82/51/01/366825101.db2.gz OCAMNGKJIXVBKP-JTQLQIEISA-N -1 3 242.319 0.554 20 0 BCADHM C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000632630985 361455499 /nfs/dbraw/zinc/45/54/99/361455499.db2.gz SNJBNTODVOBCQS-BQBZGAKWSA-N -1 3 215.278 0.107 20 0 BCADHM CCOC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000152272597 201193659 /nfs/dbraw/zinc/19/36/59/201193659.db2.gz ITTGVKAASKTCBS-ZETCQYMHSA-N -1 3 237.321 0.513 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)C1 ZINC000629691147 361617101 /nfs/dbraw/zinc/61/71/01/361617101.db2.gz SSEUKJTYWSFBKS-LJGSYFOKSA-N -1 3 223.232 0.089 20 0 BCADHM CC(=O)c1ccc(C(=O)NC[C@H](C)O)cc1[O-] ZINC000436528627 201330649 /nfs/dbraw/zinc/33/06/49/201330649.db2.gz IASFYGRPKVBJCI-ZETCQYMHSA-N -1 3 237.255 0.705 20 0 BCADHM Cn1nncc1C(=O)Nc1ccccc1[O-] ZINC000436749684 201336436 /nfs/dbraw/zinc/33/64/36/201336436.db2.gz BOSVCMIHXDUVJY-UHFFFAOYSA-N -1 3 218.216 0.773 20 0 BCADHM CCC1(O)CN(C(=O)c2csc(=O)[n-]2)C1 ZINC000614546868 363844151 /nfs/dbraw/zinc/84/41/51/363844151.db2.gz WAPILPWQNVJENK-UHFFFAOYSA-N -1 3 228.273 0.446 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCn2nccc21 ZINC000614596098 363905766 /nfs/dbraw/zinc/90/57/66/363905766.db2.gz LWKMWVAXZRMEIJ-UHFFFAOYSA-N -1 3 244.254 0.573 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCCCN1 ZINC000614735584 363945301 /nfs/dbraw/zinc/94/53/01/363945301.db2.gz ZRLIYRUJRYUXJG-UHFFFAOYSA-N -1 3 221.260 0.457 20 0 BCADHM O=C(CCC(F)F)NCCCc1cc(=O)[nH][n-]1 ZINC000614914567 364071868 /nfs/dbraw/zinc/07/18/68/364071868.db2.gz GJELTXXKUHBMEY-UHFFFAOYSA-N -1 3 247.245 0.804 20 0 BCADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N2)c1[O-] ZINC000614861684 364016411 /nfs/dbraw/zinc/01/64/11/364016411.db2.gz ROMXVFWESZSLJQ-VIFPVBQESA-N -1 3 248.238 0.422 20 0 BCADHM Cn1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)c1 ZINC000614922358 364092124 /nfs/dbraw/zinc/09/21/24/364092124.db2.gz FVMDEGQBKXTLRZ-UHFFFAOYSA-N -1 3 248.286 0.411 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cnco1 ZINC000614922694 364093638 /nfs/dbraw/zinc/09/36/38/364093638.db2.gz IEYSUWFXWPTRLG-UHFFFAOYSA-N -1 3 236.231 0.061 20 0 BCADHM C[C@@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)[C@H](C)O1 ZINC000630386234 364099393 /nfs/dbraw/zinc/09/93/93/364099393.db2.gz TXSCZFIXUFRNIC-FJXKBIBVSA-N -1 3 233.275 0.704 20 0 BCADHM CCn1ccnc1[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000622082534 370700035 /nfs/dbraw/zinc/70/00/35/370700035.db2.gz PBEQZCJFWKJFQU-SSDOTTSWSA-N -1 3 234.263 0.512 20 0 BCADHM CCn1ccnc1[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000622082534 370700038 /nfs/dbraw/zinc/70/00/38/370700038.db2.gz PBEQZCJFWKJFQU-SSDOTTSWSA-N -1 3 234.263 0.512 20 0 BCADHM CCn1ccnc1[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000622082534 370700042 /nfs/dbraw/zinc/70/00/42/370700042.db2.gz PBEQZCJFWKJFQU-SSDOTTSWSA-N -1 3 234.263 0.512 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1O)c1cc(F)c[n-]c1=O ZINC000622098439 370707400 /nfs/dbraw/zinc/70/74/00/370707400.db2.gz BOYRQNFUTZJBCH-RKDXNWHRSA-N -1 3 240.234 0.570 20 0 BCADHM O=C(NC1(CO)CCC1)c1cc(F)c[n-]c1=O ZINC000622099337 370709118 /nfs/dbraw/zinc/70/91/18/370709118.db2.gz PEHLODFXAWYRLJ-UHFFFAOYSA-N -1 3 240.234 0.571 20 0 BCADHM CN(CCN(C)C(=O)OC(C)(C)C)CC(=O)[O-] ZINC000116225286 370745100 /nfs/dbraw/zinc/74/51/00/370745100.db2.gz JDTTURZYFUIFBK-UHFFFAOYSA-N -1 3 246.307 0.870 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@]12C[C@@H]1CCC2 ZINC000614931715 364192087 /nfs/dbraw/zinc/19/20/87/364192087.db2.gz VZOKFWGIDFTJMM-ZANVPECISA-N -1 3 249.314 0.949 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1CC12CCC2 ZINC000614991085 364277523 /nfs/dbraw/zinc/27/75/23/364277523.db2.gz MCPJSATXHHXLIO-LURJTMIESA-N -1 3 232.247 0.581 20 0 BCADHM CCN[C@@H](C)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000630574462 364271374 /nfs/dbraw/zinc/27/13/74/364271374.db2.gz QJLVBEWRQYETSI-UWVGGRQHSA-N -1 3 244.335 0.848 20 0 BCADHM C[C@H](C(=O)[N-]c1nnc2[nH]cnn12)C1CC1 ZINC000614990286 364279152 /nfs/dbraw/zinc/27/91/52/364279152.db2.gz AMDKXYIHHPOMRY-YFKPBYRVSA-N -1 3 220.236 0.437 20 0 BCADHM C[C@@H](C(=O)[N-]c1nnc2[nH]cnn12)C(F)(F)F ZINC000614990362 364279307 /nfs/dbraw/zinc/27/93/07/364279307.db2.gz BEIRRRGWTDCSLY-VKHMYHEASA-N -1 3 248.168 0.589 20 0 BCADHM C[C@H](C(=O)[N-]c1nnc2[nH]cnn12)C(F)(F)F ZINC000614990360 364279322 /nfs/dbraw/zinc/27/93/22/364279322.db2.gz BEIRRRGWTDCSLY-GSVOUGTGSA-N -1 3 248.168 0.589 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C1CC(F)(F)C1 ZINC000614991390 364279432 /nfs/dbraw/zinc/27/94/32/364279432.db2.gz RFVRFLXFHLVCJS-UHFFFAOYSA-N -1 3 242.189 0.436 20 0 BCADHM C[C@H]1CC[C@H](C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC000614993556 364287334 /nfs/dbraw/zinc/28/73/34/364287334.db2.gz IZIVDCGSCKFKKN-BQBZGAKWSA-N -1 3 234.263 0.827 20 0 BCADHM CC[C@@](C)(OC)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614994116 364287486 /nfs/dbraw/zinc/28/74/86/364287486.db2.gz NOBRYTWVLFWMHZ-SECBINFHSA-N -1 3 238.251 0.206 20 0 BCADHM CO[C@H](C(=O)[N-]c1nnc2[nH]cnn12)C(C)C ZINC000614993930 364287941 /nfs/dbraw/zinc/28/79/41/364287941.db2.gz LPSLXICFWZFTPB-LURJTMIESA-N -1 3 238.251 0.062 20 0 BCADHM CC(C)[C@@H]1C[C@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614995023 364291090 /nfs/dbraw/zinc/29/10/90/364291090.db2.gz ZBIJJBUJGLTQMH-NKWVEPMBSA-N -1 3 234.263 0.683 20 0 BCADHM CC[C@H](NC(=O)[C@@H]1C[C@@H](C)CCN1)C(=O)[O-] ZINC000160638687 541356448 /nfs/dbraw/zinc/35/64/48/541356448.db2.gz FVRHUQWFVKPWFL-CIUDSAMLSA-N -1 3 228.292 0.354 20 0 BCADHM C[C@@H](N)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000574045601 364975414 /nfs/dbraw/zinc/97/54/14/364975414.db2.gz SPOQDVHLOKXXEE-HTQZYQBOSA-N -1 3 230.308 0.729 20 0 BCADHM CC(C)(CO)C[N-]S(=O)(=O)c1ccccn1 ZINC000151998915 541445775 /nfs/dbraw/zinc/44/57/75/541445775.db2.gz JAMJZCCORNLUKK-UHFFFAOYSA-N -1 3 244.316 0.378 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C2(C(N)=O)CCC2)n1 ZINC000574361423 365045433 /nfs/dbraw/zinc/04/54/33/365045433.db2.gz MDFIVJNGJBTAIZ-UHFFFAOYSA-N -1 3 249.270 0.690 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCC1(O)CCC1 ZINC000574531999 365085547 /nfs/dbraw/zinc/08/55/47/365085547.db2.gz XBMCFGLFYQJXDR-UHFFFAOYSA-N -1 3 236.271 0.361 20 0 BCADHM O=S(=O)([N-]CCN1CCC1)c1cccs1 ZINC000443748985 193029325 /nfs/dbraw/zinc/02/93/25/193029325.db2.gz PJENLOZYRFWOKG-UHFFFAOYSA-N -1 3 246.357 0.732 20 0 BCADHM Cc1cccc([O-])c1NC(=O)CN1CN=NC1=O ZINC000444281623 193045096 /nfs/dbraw/zinc/04/50/96/193045096.db2.gz ACZCYGWXKJLJSL-UHFFFAOYSA-N -1 3 248.242 0.636 20 0 BCADHM Cn1[n-]nnc1=NC[C@@H]1CCCCN1C1CC1 ZINC000575241909 365267888 /nfs/dbraw/zinc/26/78/88/365267888.db2.gz NVWSVKRXFHQAKI-JTQLQIEISA-N -1 3 236.323 0.061 20 0 BCADHM N[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000575330741 365294301 /nfs/dbraw/zinc/29/43/01/365294301.db2.gz DXXSWZVMIFMXCO-KXUCPTDWSA-N -1 3 240.303 0.580 20 0 BCADHM CC1=C(C(=O)Nc2[n-]nnc2C(N)=O)CCC1 ZINC000575636908 365341676 /nfs/dbraw/zinc/34/16/76/365341676.db2.gz BNGRJZYEGGDXIR-UHFFFAOYSA-N -1 3 235.247 0.343 20 0 BCADHM CC1=C(C(=O)Nc2nn[n-]c2C(N)=O)CCC1 ZINC000575636908 365341683 /nfs/dbraw/zinc/34/16/83/365341683.db2.gz BNGRJZYEGGDXIR-UHFFFAOYSA-N -1 3 235.247 0.343 20 0 BCADHM CC1=C(C(=O)Nc2n[n-]nc2C(N)=O)CCC1 ZINC000575636908 365341687 /nfs/dbraw/zinc/34/16/87/365341687.db2.gz BNGRJZYEGGDXIR-UHFFFAOYSA-N -1 3 235.247 0.343 20 0 BCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1C[C@@H]1N)C(=O)[O-] ZINC000575882295 365404552 /nfs/dbraw/zinc/40/45/52/365404552.db2.gz PLNUEFREGWFTPK-YIZRAAEISA-N -1 3 228.292 0.197 20 0 BCADHM CCNC(=O)C1CN(C(=O)c2cccc([O-])c2)C1 ZINC000182561871 366917026 /nfs/dbraw/zinc/91/70/26/366917026.db2.gz WEVZWAOBSOPGIU-UHFFFAOYSA-N -1 3 248.282 0.600 20 0 BCADHM O=C(NCCCCCO)c1cccc2nn[n-]c21 ZINC000193364830 367170816 /nfs/dbraw/zinc/17/08/16/367170816.db2.gz HMWLQKAWDVVDIS-UHFFFAOYSA-N -1 3 248.286 0.850 20 0 BCADHM O=C(NCCCCCO)c1cccc2[n-]nnc21 ZINC000193364830 367170821 /nfs/dbraw/zinc/17/08/21/367170821.db2.gz HMWLQKAWDVVDIS-UHFFFAOYSA-N -1 3 248.286 0.850 20 0 BCADHM O=C(NCCCCCO)c1cccc2n[n-]nc21 ZINC000193364830 367170826 /nfs/dbraw/zinc/17/08/26/367170826.db2.gz HMWLQKAWDVVDIS-UHFFFAOYSA-N -1 3 248.286 0.850 20 0 BCADHM O=C([O-])c1cnccc1N1CCO[C@H](CF)C1 ZINC000580835755 367182887 /nfs/dbraw/zinc/18/28/87/367182887.db2.gz NPYWWCFAKFKVIQ-MRVPVSSYSA-N -1 3 240.234 0.955 20 0 BCADHM COCCO[N-]C(=O)/C=C\c1cccnc1 ZINC000380484767 367222364 /nfs/dbraw/zinc/22/23/64/367222364.db2.gz VSUBODBPKARRIY-PLNGDYQASA-N -1 3 222.244 0.789 20 0 BCADHM c1[n-][nH]c2ncnc(=NCC3=CCOCC3)c1-2 ZINC000581052835 367247232 /nfs/dbraw/zinc/24/72/32/367247232.db2.gz YMLPVLSYBXECRS-UHFFFAOYSA-N -1 3 231.259 0.485 20 0 BCADHM CN(CCC(N)=O)C(=O)c1c([O-])cccc1O ZINC000382114962 367488456 /nfs/dbraw/zinc/48/84/56/367488456.db2.gz SQBCAYXUONJHGG-UHFFFAOYSA-N -1 3 238.243 0.045 20 0 BCADHM COC[C@@](C)(O)CNc1ccncc1C(=O)[O-] ZINC000382557040 367538919 /nfs/dbraw/zinc/53/89/19/367538919.db2.gz ABGYRBOQRKYMIQ-NSHDSACASA-N -1 3 240.259 0.011 20 0 BCADHM CCOC[C@H](O)CNC(=O)c1ccccc1[O-] ZINC000383434650 367621591 /nfs/dbraw/zinc/62/15/91/367621591.db2.gz COQJNRZLKUQRQY-SECBINFHSA-N -1 3 239.271 0.519 20 0 BCADHM CCOC[C@@H](O)CNC(=O)c1ccccc1[O-] ZINC000383434652 367621763 /nfs/dbraw/zinc/62/17/63/367621763.db2.gz COQJNRZLKUQRQY-VIFPVBQESA-N -1 3 239.271 0.519 20 0 BCADHM CCC(=O)[C@@H](C)Sc1n[n-]c(CO)n1 ZINC000581586167 367612661 /nfs/dbraw/zinc/61/26/61/367612661.db2.gz QEHFSJJAJWUTHB-RXMQYKEDSA-N -1 3 215.278 0.757 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCc1c[nH]cn1 ZINC000622384911 370882430 /nfs/dbraw/zinc/88/24/30/370882430.db2.gz XDTOEIAGWOYDSA-UHFFFAOYSA-N -1 3 232.243 0.369 20 0 BCADHM O=C(c1cccc([O-])c1)N1CCOCCN1 ZINC000615484109 368060660 /nfs/dbraw/zinc/06/06/60/368060660.db2.gz ZHGUWPPGLDOAHE-UHFFFAOYSA-N -1 3 222.244 0.369 20 0 BCADHM COC1(C)CN(C(=O)Cc2cncc([O-])c2)C1 ZINC000566471136 326050132 /nfs/dbraw/zinc/05/01/32/326050132.db2.gz SHIZXTAYIGQVGX-UHFFFAOYSA-N -1 3 236.271 0.577 20 0 BCADHM COc1cncc(CN(C)[C@H](C)C(=O)[O-])c1 ZINC000566509142 326060725 /nfs/dbraw/zinc/06/07/25/326060725.db2.gz QENUIOXTYOONCQ-MRVPVSSYSA-N -1 3 224.260 0.995 20 0 BCADHM O=C(NCCCc1nnc[nH]1)c1ccccc1[O-] ZINC000080570874 368518371 /nfs/dbraw/zinc/51/83/71/368518371.db2.gz JZQXYEBMLXEBPU-UHFFFAOYSA-N -1 3 246.270 0.873 20 0 BCADHM CC[C@H](OC)C(=O)NN=c1nc(OC)cc[n-]1 ZINC000068182050 368716266 /nfs/dbraw/zinc/71/62/66/368716266.db2.gz DCUKCVXTXMWYAP-ZETCQYMHSA-N -1 3 240.263 0.353 20 0 BCADHM CC[C@@H](OC)C(=O)NN=c1nc(OC)cc[n-]1 ZINC000068182052 368717169 /nfs/dbraw/zinc/71/71/69/368717169.db2.gz DCUKCVXTXMWYAP-SSDOTTSWSA-N -1 3 240.263 0.353 20 0 BCADHM CO[N-]C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000068744872 368733521 /nfs/dbraw/zinc/73/35/21/368733521.db2.gz QMUVAOFQARNSOX-VIFPVBQESA-N -1 3 221.212 0.966 20 0 BCADHM CN1CCN(C(=O)c2cncc([O-])c2)CC1(C)C ZINC000111740207 368861980 /nfs/dbraw/zinc/86/19/80/368861980.db2.gz VLHSTKOVVMDZGT-UHFFFAOYSA-N -1 3 249.314 0.953 20 0 BCADHM C[C@@H]1COC[C@H](C)N1CC1(C(=O)[O-])CC1 ZINC000567509842 326206892 /nfs/dbraw/zinc/20/68/92/326206892.db2.gz NWIGWSSZMXSGDA-DTORHVGOSA-N -1 3 213.277 0.960 20 0 BCADHM COCC1(O)CN(Cc2cc([O-])cc(F)c2)C1 ZINC000459630875 203323030 /nfs/dbraw/zinc/32/30/30/203323030.db2.gz AWIBIROATSCUKG-UHFFFAOYSA-N -1 3 241.262 0.724 20 0 BCADHM O=C(Nc1ccc([O-])cc1F)[C@@]1(O)CCOC1 ZINC000622495505 370959873 /nfs/dbraw/zinc/95/98/73/370959873.db2.gz ZSFXLTHSFRIKII-LLVKDONJSA-N -1 3 241.218 0.621 20 0 BCADHM CCCN1CC[C@@H](NC(=O)c2cc(=O)[nH][n-]2)C1 ZINC000619894154 369626416 /nfs/dbraw/zinc/62/64/16/369626416.db2.gz MGJNVXALZODNOJ-MRVPVSSYSA-N -1 3 238.291 0.329 20 0 BCADHM CCSc1nc(=O)[n-]c(C)c1C(=O)OC ZINC000061412503 369690348 /nfs/dbraw/zinc/69/03/48/369690348.db2.gz LJFQVQBEEYORKK-UHFFFAOYSA-N -1 3 228.273 0.977 20 0 BCADHM CO[C@@H](CNC(=O)c1c[n-]nn1)C1CCCC1 ZINC000620172915 369756910 /nfs/dbraw/zinc/75/69/10/369756910.db2.gz ZKAWRJZYTJWKQV-JTQLQIEISA-N -1 3 238.291 0.740 20 0 BCADHM CO[C@@H](CNC(=O)c1cnn[n-]1)C1CCCC1 ZINC000620172915 369756915 /nfs/dbraw/zinc/75/69/15/369756915.db2.gz ZKAWRJZYTJWKQV-JTQLQIEISA-N -1 3 238.291 0.740 20 0 BCADHM CO[C@@H](CNC(=O)c1cn[n-]n1)C1CCCC1 ZINC000620172915 369756921 /nfs/dbraw/zinc/75/69/21/369756921.db2.gz ZKAWRJZYTJWKQV-JTQLQIEISA-N -1 3 238.291 0.740 20 0 BCADHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)C(F)(F)F ZINC000627305017 369850875 /nfs/dbraw/zinc/85/08/75/369850875.db2.gz LMCPGWCEAPTSFP-BYPYZUCNSA-N -1 3 235.165 0.863 20 0 BCADHM C[C@H](O)CCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000620855786 370008952 /nfs/dbraw/zinc/00/89/52/370008952.db2.gz JONCXLANHYNVIP-QMMMGPOBSA-N -1 3 241.262 0.961 20 0 BCADHM c1cc2c(ncnc2NCc2nn[n-]n2)[nH]1 ZINC000309528452 370222315 /nfs/dbraw/zinc/22/23/15/370222315.db2.gz BKMBNICLQIDYBW-UHFFFAOYSA-N -1 3 216.208 0.083 20 0 BCADHM O=C(CCCF)Nc1nnc(SCCO)[n-]1 ZINC000621914555 370597740 /nfs/dbraw/zinc/59/77/40/370597740.db2.gz AMYFEDDSRPDMLJ-UHFFFAOYSA-N -1 3 248.283 0.577 20 0 BCADHM O=C(CCCF)Nc1nc(SCCO)n[n-]1 ZINC000621914555 370597745 /nfs/dbraw/zinc/59/77/45/370597745.db2.gz AMYFEDDSRPDMLJ-UHFFFAOYSA-N -1 3 248.283 0.577 20 0 BCADHM O=C(CCCF)Nc1n[n-]c(SCCO)n1 ZINC000621914555 370597748 /nfs/dbraw/zinc/59/77/48/370597748.db2.gz AMYFEDDSRPDMLJ-UHFFFAOYSA-N -1 3 248.283 0.577 20 0 BCADHM O=C(NC[C@@H](O)C1CC1)c1cc(F)c[n-]c1=O ZINC000621923796 370603507 /nfs/dbraw/zinc/60/35/07/370603507.db2.gz YHXAYNIWWMQLRZ-SECBINFHSA-N -1 3 240.234 0.427 20 0 BCADHM O=C(N[C@@H]1CCCOC1)c1cc(F)c[n-]c1=O ZINC000621858890 370568256 /nfs/dbraw/zinc/56/82/56/370568256.db2.gz JSJNTCCTPDBAGE-MRVPVSSYSA-N -1 3 240.234 0.835 20 0 BCADHM CC[C@@](C)(O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621885212 370579957 /nfs/dbraw/zinc/57/99/57/370579957.db2.gz ISDTUUFRQPUDCE-LLVKDONJSA-N -1 3 242.250 0.817 20 0 BCADHM O=C(NCCCCCO)c1cc(F)c[n-]c1=O ZINC000621981608 370641163 /nfs/dbraw/zinc/64/11/63/370641163.db2.gz YKOYAFFHPLMPLI-UHFFFAOYSA-N -1 3 242.250 0.819 20 0 BCADHM CC(C)[C@@H](CO)NC(=O)c1cc(F)c[n-]c1=O ZINC000621945326 370613284 /nfs/dbraw/zinc/61/32/84/370613284.db2.gz KQDXZZIRXAOUQC-SECBINFHSA-N -1 3 242.250 0.673 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H](C)CO ZINC000623942806 371164266 /nfs/dbraw/zinc/16/42/66/371164266.db2.gz UBXUIJGILYWAMS-MRVPVSSYSA-N -1 3 209.245 0.811 20 0 BCADHM O=C([N-]c1cnoc1)c1cnn2cccnc12 ZINC000623940653 371169047 /nfs/dbraw/zinc/16/90/47/371169047.db2.gz LRAVAKNPXOLIIN-UHFFFAOYSA-N -1 3 229.199 0.970 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)C(C)(C)O ZINC000390448141 371203862 /nfs/dbraw/zinc/20/38/62/371203862.db2.gz YKVDTTLNSSMPML-LURJTMIESA-N -1 3 221.264 0.298 20 0 BCADHM Cc1nc([N-]C(=O)c2cn(C3CC3)nn2)nn1C ZINC000627498432 371663761 /nfs/dbraw/zinc/66/37/61/371663761.db2.gz XEHYSEVNORCURK-UHFFFAOYSA-N -1 3 247.262 0.302 20 0 BCADHM CC[C@@H](CO)N(C)C(=O)c1cc(=O)[n-]cn1 ZINC000627565452 371713472 /nfs/dbraw/zinc/71/34/72/371713472.db2.gz RCWRGJQXMWYDGO-ZETCQYMHSA-N -1 3 225.248 0.025 20 0 BCADHM CCC[C@H](CNC(=O)c1cc(=O)[n-]cn1)OC ZINC000627566397 371716130 /nfs/dbraw/zinc/71/61/30/371716130.db2.gz ZGKBIGXSESFBNJ-MRVPVSSYSA-N -1 3 239.275 0.727 20 0 BCADHM O=C(NCCC1CSC1)c1cc(=O)[n-]cn1 ZINC000627807679 372007910 /nfs/dbraw/zinc/00/79/10/372007910.db2.gz WLPSLPXBQSFGNX-UHFFFAOYSA-N -1 3 239.300 0.665 20 0 BCADHM C[C@H]1SCC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627976493 372171246 /nfs/dbraw/zinc/17/12/46/372171246.db2.gz WWMZBHODWYWCAF-RQJHMYQMSA-N -1 3 239.300 0.806 20 0 BCADHM C[C@@H]1SCC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627976490 372171435 /nfs/dbraw/zinc/17/14/35/372171435.db2.gz WWMZBHODWYWCAF-BQBZGAKWSA-N -1 3 239.300 0.806 20 0 BCADHM O=c1[nH]cc(S(=O)(=O)[N-]CC2CCC2)s1 ZINC000631734516 372537921 /nfs/dbraw/zinc/53/79/21/372537921.db2.gz QRBVIBIWEAHTHA-UHFFFAOYSA-N -1 3 248.329 0.927 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)C1CC1 ZINC000631677307 372504085 /nfs/dbraw/zinc/50/40/85/372504085.db2.gz WDVKZOFXLNZZKT-YFKPBYRVSA-N -1 3 248.329 0.926 20 0 BCADHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631746088 372546739 /nfs/dbraw/zinc/54/67/39/372546739.db2.gz BOJTXQGBYUMQDZ-WDSKDSINSA-N -1 3 248.329 0.783 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C ZINC000631746736 372546854 /nfs/dbraw/zinc/54/68/54/372546854.db2.gz QYONHASNPZYICX-SVRRBLITSA-N -1 3 230.289 0.917 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CC1(C)COC1 ZINC000631957290 372703026 /nfs/dbraw/zinc/70/30/26/372703026.db2.gz RFZWEOHDSSDDQJ-UHFFFAOYSA-N -1 3 246.288 0.298 20 0 BCADHM CCC[C@@H](O)C[N-]S(=O)(=O)c1conc1C ZINC000632012708 372723117 /nfs/dbraw/zinc/72/31/17/372723117.db2.gz WLLFXKLMDQSGNA-MRVPVSSYSA-N -1 3 248.304 0.422 20 0 BCADHM CC[C@@H](O)CC[N-]S(=O)(=O)c1conc1C ZINC000632108896 372761082 /nfs/dbraw/zinc/76/10/82/372761082.db2.gz SYUAUSFSGQJYKD-MRVPVSSYSA-N -1 3 248.304 0.422 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H]1CCOC1 ZINC000632135634 372774027 /nfs/dbraw/zinc/77/40/27/372774027.db2.gz GAXWSNMTKJWWFF-ZETCQYMHSA-N -1 3 232.261 0.050 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H](C)C[C@H](C)O ZINC000632200651 372804162 /nfs/dbraw/zinc/80/41/62/372804162.db2.gz KBAJGJDYRXUUSD-BQBZGAKWSA-N -1 3 248.304 0.421 20 0 BCADHM COC1(CS(=O)(=O)[N-]CCF)CCCC1 ZINC000632301115 372872347 /nfs/dbraw/zinc/87/23/47/372872347.db2.gz NCILPFAKBWELIQ-UHFFFAOYSA-N -1 3 239.312 0.835 20 0 BCADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCCCCO1 ZINC000329943942 182023634 /nfs/dbraw/zinc/02/36/34/182023634.db2.gz DVGWWYPAGSMXLZ-ZETCQYMHSA-N -1 3 241.247 0.573 20 0 BCADHM CC/C=C/C[N-]S(=O)(=O)c1nncn1C ZINC000632406835 372923220 /nfs/dbraw/zinc/92/32/20/372923220.db2.gz WHKHQZJDTOBFPG-SNAWJCMRSA-N -1 3 230.293 0.060 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)c2conc2C)CC1 ZINC000632446739 372951984 /nfs/dbraw/zinc/95/19/84/372951984.db2.gz PPJMCZYSSYCBEG-UHFFFAOYSA-N -1 3 244.272 0.383 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC000632449143 372954281 /nfs/dbraw/zinc/95/42/81/372954281.db2.gz RXURDSVSXYJLJS-IONNQARKSA-N -1 3 247.316 0.205 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-][C@@]12C[C@@H]1CCC2 ZINC000632545661 372999834 /nfs/dbraw/zinc/99/98/34/372999834.db2.gz GABOUMHFEUFPKO-CBAPKCEASA-N -1 3 242.304 0.036 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1nncn1C)C1CC1 ZINC000632559850 373005063 /nfs/dbraw/zinc/00/50/63/373005063.db2.gz ONMKDZKXFNALMN-MRVPVSSYSA-N -1 3 244.320 0.282 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-][C@@]1(C)CC1(C)C ZINC000632570451 373010613 /nfs/dbraw/zinc/01/06/13/373010613.db2.gz ZLOOULDKJVYBNF-VIFPVBQESA-N -1 3 244.320 0.282 20 0 BCADHM C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]CC(C)(C)F ZINC000632609145 373030978 /nfs/dbraw/zinc/03/09/78/373030978.db2.gz WFEOBKQJQYQIKQ-SFYZADRCSA-N -1 3 239.312 0.831 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1C[C@@H]1C ZINC000632628115 373040966 /nfs/dbraw/zinc/04/09/66/373040966.db2.gz OFMDAHOOAXEIMU-XNCJUZBTSA-N -1 3 230.289 0.978 20 0 BCADHM O=C(NC(CO)CO)c1cc([O-])ccc1Cl ZINC000236510784 182088143 /nfs/dbraw/zinc/08/81/43/182088143.db2.gz PIXUEEQJRPLVGR-UHFFFAOYSA-N -1 3 245.662 0.129 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@H]1C(F)F ZINC000633255949 373410146 /nfs/dbraw/zinc/41/01/46/373410146.db2.gz ILMPJXPVXUOHSF-ZCFIWIBFSA-N -1 3 229.186 0.662 20 0 BCADHM O=C(NCC(F)(F)CO)c1ccccc1[O-] ZINC000183918395 182122707 /nfs/dbraw/zinc/12/27/07/182122707.db2.gz GNEUYJCZJWEGNH-UHFFFAOYSA-N -1 3 231.198 0.750 20 0 BCADHM O=C(NCC1(O)CCCCC1)c1c[n-]nn1 ZINC000085696438 182132561 /nfs/dbraw/zinc/13/25/61/182132561.db2.gz CBQHFSWBBXXNBK-UHFFFAOYSA-N -1 3 224.264 0.230 20 0 BCADHM O=C(NCC1(O)CCCCC1)c1cnn[n-]1 ZINC000085696438 182132564 /nfs/dbraw/zinc/13/25/64/182132564.db2.gz CBQHFSWBBXXNBK-UHFFFAOYSA-N -1 3 224.264 0.230 20 0 BCADHM O=C(NCC1(O)CCCCC1)c1cn[n-]n1 ZINC000085696438 182132566 /nfs/dbraw/zinc/13/25/66/182132566.db2.gz CBQHFSWBBXXNBK-UHFFFAOYSA-N -1 3 224.264 0.230 20 0 BCADHM O=C(NCc1cc(=O)[n-]c(=O)[nH]1)[C@H]1CC12CCC2 ZINC000633520284 373583249 /nfs/dbraw/zinc/58/32/49/373583249.db2.gz DLLZIXIWIZIGGR-MRVPVSSYSA-N -1 3 249.270 0.694 20 0 BCADHM O=C(NCCCNc1ccccn1)c1c[n-]nn1 ZINC000136194141 182169235 /nfs/dbraw/zinc/16/92/35/182169235.db2.gz RGLSAHPGYQARLE-UHFFFAOYSA-N -1 3 246.274 0.432 20 0 BCADHM O=C(NCCCNc1ccccn1)c1cnn[n-]1 ZINC000136194141 182169238 /nfs/dbraw/zinc/16/92/38/182169238.db2.gz RGLSAHPGYQARLE-UHFFFAOYSA-N -1 3 246.274 0.432 20 0 BCADHM O=C(NCCCNc1ccccn1)c1cn[n-]n1 ZINC000136194141 182169240 /nfs/dbraw/zinc/16/92/40/182169240.db2.gz RGLSAHPGYQARLE-UHFFFAOYSA-N -1 3 246.274 0.432 20 0 BCADHM O=C(NCC[C@@H](O)c1ccccc1)c1c[n-]nn1 ZINC000266348514 182198986 /nfs/dbraw/zinc/19/89/86/182198986.db2.gz DRFYRPJSVPLLII-LLVKDONJSA-N -1 3 246.270 0.658 20 0 BCADHM O=C(NCC[C@@H](O)c1ccccc1)c1cnn[n-]1 ZINC000266348514 182198990 /nfs/dbraw/zinc/19/89/90/182198990.db2.gz DRFYRPJSVPLLII-LLVKDONJSA-N -1 3 246.270 0.658 20 0 BCADHM O=C(NCC[C@@H](O)c1ccccc1)c1cn[n-]n1 ZINC000266348514 182198991 /nfs/dbraw/zinc/19/89/91/182198991.db2.gz DRFYRPJSVPLLII-LLVKDONJSA-N -1 3 246.270 0.658 20 0 BCADHM COc1cc(C(=O)NC2(C)COC2)ccc1[O-] ZINC000634190660 374004258 /nfs/dbraw/zinc/00/42/58/374004258.db2.gz ODHXPEPCLBGYHA-UHFFFAOYSA-N -1 3 237.255 0.920 20 0 BCADHM O=C(NC[C@@H](O)Cc1ccccc1)c1c[n-]nn1 ZINC000104913925 182222030 /nfs/dbraw/zinc/22/20/30/182222030.db2.gz LERKONDACAWTMX-JTQLQIEISA-N -1 3 246.270 0.138 20 0 BCADHM O=C(NC[C@@H](O)Cc1ccccc1)c1cnn[n-]1 ZINC000104913925 182222031 /nfs/dbraw/zinc/22/20/31/182222031.db2.gz LERKONDACAWTMX-JTQLQIEISA-N -1 3 246.270 0.138 20 0 BCADHM O=C(NC[C@@H](O)Cc1ccccc1)c1cn[n-]n1 ZINC000104913925 182222032 /nfs/dbraw/zinc/22/20/32/182222032.db2.gz LERKONDACAWTMX-JTQLQIEISA-N -1 3 246.270 0.138 20 0 BCADHM O=C(NC[C@H](O)C1CC1)c1ccc(O)cc1[O-] ZINC000071277668 182232882 /nfs/dbraw/zinc/23/28/82/182232882.db2.gz OODJDTKLGDRHRU-NSHDSACASA-N -1 3 237.255 0.599 20 0 BCADHM O=C(NC[C@H](O)Cc1ccccc1)c1c[n-]nn1 ZINC000104913928 182233660 /nfs/dbraw/zinc/23/36/60/182233660.db2.gz LERKONDACAWTMX-SNVBAGLBSA-N -1 3 246.270 0.138 20 0 BCADHM O=C(NC[C@H](O)Cc1ccccc1)c1cnn[n-]1 ZINC000104913928 182233661 /nfs/dbraw/zinc/23/36/61/182233661.db2.gz LERKONDACAWTMX-SNVBAGLBSA-N -1 3 246.270 0.138 20 0 BCADHM O=C(NC[C@H](O)Cc1ccccc1)c1cn[n-]n1 ZINC000104913928 182233662 /nfs/dbraw/zinc/23/36/62/182233662.db2.gz LERKONDACAWTMX-SNVBAGLBSA-N -1 3 246.270 0.138 20 0 BCADHM O=C(NC[C@@H]1Cc2ccccc2O1)c1c[n-]nn1 ZINC000108454157 182230218 /nfs/dbraw/zinc/23/02/18/182230218.db2.gz QAHXAYOZYOJCKA-VIFPVBQESA-N -1 3 244.254 0.538 20 0 BCADHM O=C(NC[C@@H]1Cc2ccccc2O1)c1cnn[n-]1 ZINC000108454157 182230219 /nfs/dbraw/zinc/23/02/19/182230219.db2.gz QAHXAYOZYOJCKA-VIFPVBQESA-N -1 3 244.254 0.538 20 0 BCADHM O=C(NC[C@@H]1Cc2ccccc2O1)c1cn[n-]n1 ZINC000108454157 182230221 /nfs/dbraw/zinc/23/02/21/182230221.db2.gz QAHXAYOZYOJCKA-VIFPVBQESA-N -1 3 244.254 0.538 20 0 BCADHM O=C(NC[C@H]1CCCSC1)c1c[n-]nn1 ZINC000288233199 182241697 /nfs/dbraw/zinc/24/16/97/182241697.db2.gz FRXMFJWYPJUJNI-SSDOTTSWSA-N -1 3 226.305 0.678 20 0 BCADHM O=C(NC[C@H]1CCCSC1)c1cnn[n-]1 ZINC000288233199 182241698 /nfs/dbraw/zinc/24/16/98/182241698.db2.gz FRXMFJWYPJUJNI-SSDOTTSWSA-N -1 3 226.305 0.678 20 0 BCADHM O=C(NC[C@H]1CCCSC1)c1cn[n-]n1 ZINC000288233199 182241700 /nfs/dbraw/zinc/24/17/00/182241700.db2.gz FRXMFJWYPJUJNI-SSDOTTSWSA-N -1 3 226.305 0.678 20 0 BCADHM O=C(NC[C@H]1CCOC1)c1ccc(O)cc1[O-] ZINC000221649083 182244232 /nfs/dbraw/zinc/24/42/32/182244232.db2.gz GAVMZOQZUUEDDR-MRVPVSSYSA-N -1 3 237.255 0.864 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@@H]1CCCOC1 ZINC000352501129 182274455 /nfs/dbraw/zinc/27/44/55/182274455.db2.gz MSDDMLRYUCGXMO-SECBINFHSA-N -1 3 236.271 0.830 20 0 BCADHM O=C(NCc1ncccc1[O-])c1ccon1 ZINC000352505623 182274582 /nfs/dbraw/zinc/27/45/82/182274582.db2.gz AEXDWKPVFUNOSB-UHFFFAOYSA-N -1 3 219.200 0.705 20 0 BCADHM O=C([N-]Cc1nnc2n1CCCCC2)C(F)F ZINC000279817803 182274807 /nfs/dbraw/zinc/27/48/07/182274807.db2.gz XYCLYSZTIAGABF-UHFFFAOYSA-N -1 3 244.245 0.886 20 0 BCADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCC1 ZINC000336462975 182271553 /nfs/dbraw/zinc/27/15/53/182271553.db2.gz BXELIQFAWPZERP-UHFFFAOYSA-N -1 3 249.196 0.739 20 0 BCADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCC1 ZINC000336462975 182271556 /nfs/dbraw/zinc/27/15/56/182271556.db2.gz BXELIQFAWPZERP-UHFFFAOYSA-N -1 3 249.196 0.739 20 0 BCADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC1 ZINC000336462975 182271559 /nfs/dbraw/zinc/27/15/59/182271559.db2.gz BXELIQFAWPZERP-UHFFFAOYSA-N -1 3 249.196 0.739 20 0 BCADHM O=C(N[C@@H](CCO)c1ccco1)c1c[n-]nn1 ZINC000187839991 182286172 /nfs/dbraw/zinc/28/61/72/182286172.db2.gz DSNPMNUZKZYONP-ZETCQYMHSA-N -1 3 236.231 0.251 20 0 BCADHM O=C(N[C@@H](CCO)c1ccco1)c1cnn[n-]1 ZINC000187839991 182286175 /nfs/dbraw/zinc/28/61/75/182286175.db2.gz DSNPMNUZKZYONP-ZETCQYMHSA-N -1 3 236.231 0.251 20 0 BCADHM O=C(N[C@@H](CCO)c1ccco1)c1cn[n-]n1 ZINC000187839991 182286179 /nfs/dbraw/zinc/28/61/79/182286179.db2.gz DSNPMNUZKZYONP-ZETCQYMHSA-N -1 3 236.231 0.251 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)C1=COCCC1 ZINC000189220826 182283875 /nfs/dbraw/zinc/28/38/75/182283875.db2.gz PTMZYPNLJGASDV-SECBINFHSA-N -1 3 227.260 0.765 20 0 BCADHM O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(O)cc1[O-] ZINC000182820131 182288807 /nfs/dbraw/zinc/28/88/07/182288807.db2.gz WPCBGQCJYWGRGV-DTWKUNHWSA-N -1 3 249.266 0.765 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1CCO)c1c[n-]nn1 ZINC000189264965 182299490 /nfs/dbraw/zinc/29/94/90/182299490.db2.gz RMPPUBPMUSBDFW-JGVFFNPUSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1CCO)c1cnn[n-]1 ZINC000189264965 182299492 /nfs/dbraw/zinc/29/94/92/182299492.db2.gz RMPPUBPMUSBDFW-JGVFFNPUSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H]1CCC[C@H]1CCO)c1cn[n-]n1 ZINC000189264965 182299495 /nfs/dbraw/zinc/29/94/95/182299495.db2.gz RMPPUBPMUSBDFW-JGVFFNPUSA-N -1 3 224.264 0.086 20 0 BCADHM O=C([N-][C@@H]1COc2ccccc2[C@H]1O)C(F)F ZINC000290631958 182315224 /nfs/dbraw/zinc/31/52/24/182315224.db2.gz MHESQUUGKWKWMW-VXNVDRBHSA-N -1 3 243.209 0.862 20 0 BCADHM O=C(N[C@H]1CCCCNC1=O)c1ccccc1[O-] ZINC000179141498 182328187 /nfs/dbraw/zinc/32/81/87/182328187.db2.gz RWAIOMQGIRSUGL-JTQLQIEISA-N -1 3 248.282 0.791 20 0 BCADHM O=C(N[C@H]1CCCNC1=O)c1ccccc1[O-] ZINC000049498280 182329165 /nfs/dbraw/zinc/32/91/65/182329165.db2.gz JLEJAIRQBPPOTF-VIFPVBQESA-N -1 3 234.255 0.401 20 0 BCADHM O=C(N[C@@]1(CO)CCOC1)c1ccccc1[O-] ZINC000182926116 182322328 /nfs/dbraw/zinc/32/23/28/182322328.db2.gz AVHLUYDOEIDKFU-GFCCVEGCSA-N -1 3 237.255 0.273 20 0 BCADHM O=C(N[C@H](CO)Cc1ccccc1)c1c[n-]nn1 ZINC000159074731 182324702 /nfs/dbraw/zinc/32/47/02/182324702.db2.gz FNWBBONBQPVDDC-JTQLQIEISA-N -1 3 246.270 0.138 20 0 BCADHM O=C(N[C@H](CO)Cc1ccccc1)c1cnn[n-]1 ZINC000159074731 182324703 /nfs/dbraw/zinc/32/47/03/182324703.db2.gz FNWBBONBQPVDDC-JTQLQIEISA-N -1 3 246.270 0.138 20 0 BCADHM O=C(N[C@H](CO)Cc1ccccc1)c1cn[n-]n1 ZINC000159074731 182324706 /nfs/dbraw/zinc/32/47/06/182324706.db2.gz FNWBBONBQPVDDC-JTQLQIEISA-N -1 3 246.270 0.138 20 0 BCADHM CC[C@@H](CCO)NC(=O)c1ccc(O)cc1[O-] ZINC000166985679 206141138 /nfs/dbraw/zinc/14/11/38/206141138.db2.gz OUKBSYAMWVDNJU-QMMMGPOBSA-N -1 3 239.271 0.989 20 0 BCADHM O=C(Nc1cccc2c1CCO2)c1nc[n-]n1 ZINC000357685450 182373651 /nfs/dbraw/zinc/37/36/51/182373651.db2.gz DSTCVUVZWJTPCF-UHFFFAOYSA-N -1 3 230.227 0.992 20 0 BCADHM O=C(Nc1nnc(SCCO)[n-]1)C1CC1 ZINC000120708515 182398251 /nfs/dbraw/zinc/39/82/51/182398251.db2.gz TTXLWMBZMARVLX-UHFFFAOYSA-N -1 3 228.277 0.238 20 0 BCADHM O=C(Nc1nc(SCCO)n[n-]1)C1CC1 ZINC000120708515 182398253 /nfs/dbraw/zinc/39/82/53/182398253.db2.gz TTXLWMBZMARVLX-UHFFFAOYSA-N -1 3 228.277 0.238 20 0 BCADHM O=C(Nc1n[n-]c(SCCO)n1)C1CC1 ZINC000120708515 182398254 /nfs/dbraw/zinc/39/82/54/182398254.db2.gz TTXLWMBZMARVLX-UHFFFAOYSA-N -1 3 228.277 0.238 20 0 BCADHM O=C(Nc1ncccc1[O-])c1ccc(=O)[nH]c1 ZINC000021901786 182398905 /nfs/dbraw/zinc/39/89/05/182398905.db2.gz ATYQGLAEGVAYNI-UHFFFAOYSA-N -1 3 231.211 0.728 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@]1(O)CCSC1 ZINC000180995666 182398914 /nfs/dbraw/zinc/39/89/14/182398914.db2.gz XZMZNGFOTFVQFG-JTQLQIEISA-N -1 3 240.284 0.594 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CC2(C1)CCOC2 ZINC000294468179 182664249 /nfs/dbraw/zinc/66/42/49/182664249.db2.gz PPXYAFBBASFCLW-UHFFFAOYSA-N -1 3 249.266 0.960 20 0 BCADHM O=c1nc([C@@H]2CCCN(Cc3c[nH]cn3)C2)[nH][n-]1 ZINC000289356428 183009004 /nfs/dbraw/zinc/00/90/04/183009004.db2.gz GUVNEGIRBKEZEE-MRVPVSSYSA-N -1 3 248.290 0.201 20 0 BCADHM O=c1nc([C@@H]2CCCN(Cc3cnc[nH]3)C2)[nH][n-]1 ZINC000289356428 183009006 /nfs/dbraw/zinc/00/90/06/183009006.db2.gz GUVNEGIRBKEZEE-MRVPVSSYSA-N -1 3 248.290 0.201 20 0 BCADHM [O-]c1ccc(F)c(CNCCOCCO)c1F ZINC000294277223 183084079 /nfs/dbraw/zinc/08/40/79/183084079.db2.gz OSITZKZKYZUIBB-UHFFFAOYSA-N -1 3 247.241 0.769 20 0 BCADHM [O-]c1cc(F)cc(CN2C[C@@H](O)C[C@H]2CO)c1 ZINC000274903066 183130528 /nfs/dbraw/zinc/13/05/28/183130528.db2.gz HRKFXIUUTOJWNO-JQWIXIFHSA-N -1 3 241.262 0.459 20 0 BCADHM O=c1[n-]c(CN2CCN(C3CCC3)CC2)n[nH]1 ZINC000329259835 183306240 /nfs/dbraw/zinc/30/62/40/183306240.db2.gz DRBZPNPITISYEO-UHFFFAOYSA-N -1 3 237.307 0.180 20 0 BCADHM CCCN(CCN1CCCCC1)C(=O)C(=O)[O-] ZINC000354967798 169159749 /nfs/dbraw/zinc/15/97/49/169159749.db2.gz OMXPWCROPDCOAM-UHFFFAOYSA-N -1 3 242.319 0.796 20 0 BCADHM CCCN1CCC[C@H]1C(=O)N(C)CC(=O)[O-] ZINC000153090228 169198603 /nfs/dbraw/zinc/19/86/03/169198603.db2.gz LNEASSDOSBOYFM-VIFPVBQESA-N -1 3 228.292 0.404 20 0 BCADHM CCCN1CCC[C@H]1CNC(=O)C(=O)[O-] ZINC000308888238 169199422 /nfs/dbraw/zinc/19/94/22/169199422.db2.gz WPLOHYAWGNBPJO-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM CCCNC(=O)[C@@H](C)N1CCC(C(=O)[O-])CC1 ZINC000035083915 169240732 /nfs/dbraw/zinc/24/07/32/169240732.db2.gz KNVJORCBRGQJTR-SECBINFHSA-N -1 3 242.319 0.698 20 0 BCADHM CCC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000044260911 169273577 /nfs/dbraw/zinc/27/35/77/169273577.db2.gz CSNRNKJUFRMKLC-UHFFFAOYSA-N -1 3 218.253 0.909 20 0 BCADHM CCCS(=O)(=O)[N-][C@@H](C(=O)OC)C1CC1 ZINC000341036493 169332784 /nfs/dbraw/zinc/33/27/84/169332784.db2.gz UXYULTREHAMYIT-MRVPVSSYSA-N -1 3 235.305 0.267 20 0 BCADHM CCCS(=O)(=O)[N-][C@H](C(=O)OC)C(C)C ZINC000035160050 169332980 /nfs/dbraw/zinc/33/29/80/169332980.db2.gz HBMOCJBPPSSKED-QMMMGPOBSA-N -1 3 237.321 0.513 20 0 BCADHM CCCS(=O)(=O)[N-][C@H](C(=O)OC)C1CC1 ZINC000341036496 169333463 /nfs/dbraw/zinc/33/34/63/169333463.db2.gz UXYULTREHAMYIT-QMMMGPOBSA-N -1 3 235.305 0.267 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@H]3CCO[C@@H]3C3CC3)c1-2 ZINC000340569247 183538048 /nfs/dbraw/zinc/53/80/48/183538048.db2.gz FCBAHNYAAYYGAK-VHSXEESVSA-N -1 3 245.286 0.706 20 0 BCADHM CNC(=O)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000184988695 134371943 /nfs/dbraw/zinc/37/19/43/134371943.db2.gz UNBJRWCSDFGTOZ-UHFFFAOYSA-N -1 3 240.234 0.284 20 0 BCADHM COC[C@H](C)[C@H](C)C(=O)Nc1n[n-]c(OC)n1 ZINC000486951687 533009790 /nfs/dbraw/zinc/00/97/90/533009790.db2.gz UBUWLTJJCBPDPM-BQBZGAKWSA-N -1 3 242.279 0.670 20 0 BCADHM COC[C@H](C)[C@H](C)C(=O)Nc1nnc(OC)[n-]1 ZINC000486951687 533009796 /nfs/dbraw/zinc/00/97/96/533009796.db2.gz UBUWLTJJCBPDPM-BQBZGAKWSA-N -1 3 242.279 0.670 20 0 BCADHM COC[C@H](C)[C@H](C)C(=O)Nc1nc(OC)n[n-]1 ZINC000486951687 533009800 /nfs/dbraw/zinc/00/98/00/533009800.db2.gz UBUWLTJJCBPDPM-BQBZGAKWSA-N -1 3 242.279 0.670 20 0 BCADHM COc1ccc(NC(=O)c2cnn[n-]2)cn1 ZINC000088330070 383895820 /nfs/dbraw/zinc/89/58/20/383895820.db2.gz XEEPNEYXWPRTAU-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1ccc(NC(=O)c2c[n-]nn2)cn1 ZINC000088330070 383895827 /nfs/dbraw/zinc/89/58/27/383895827.db2.gz XEEPNEYXWPRTAU-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1ccc(NC(=O)c2cn[n-]n2)cn1 ZINC000088330070 383895835 /nfs/dbraw/zinc/89/58/35/383895835.db2.gz XEEPNEYXWPRTAU-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM CNC1(CN=c2nc(C)[n-]s2)CCC1 ZINC000643611180 383903002 /nfs/dbraw/zinc/90/30/02/383903002.db2.gz XNLNUFNWSAJINU-UHFFFAOYSA-N -1 3 212.322 0.822 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)CC(C)C ZINC000070653790 383952552 /nfs/dbraw/zinc/95/25/52/383952552.db2.gz ONAPRZJVYLJGMS-UHFFFAOYSA-N -1 3 223.294 0.125 20 0 BCADHM O=S(=O)([N-]C[C@H](O)C1CC1)c1cccs1 ZINC000070884735 383956874 /nfs/dbraw/zinc/95/68/74/383956874.db2.gz HNMZUAMNCVUONC-QMMMGPOBSA-N -1 3 247.341 0.797 20 0 BCADHM O=C(N[C@@H]1CCC(=O)NC1)c1ccccc1[O-] ZINC000070162107 384082724 /nfs/dbraw/zinc/08/27/24/384082724.db2.gz IZNZFIDJUCPSIV-MRVPVSSYSA-N -1 3 234.255 0.401 20 0 BCADHM COC[C@H](O)CNC(=O)c1ccccc1[O-] ZINC000070589338 384121603 /nfs/dbraw/zinc/12/16/03/384121603.db2.gz VUEGQYXZRVFCIW-MRVPVSSYSA-N -1 3 225.244 0.129 20 0 BCADHM COc1nc(NC(=O)C[C@H]2C[C@H]2C)n[n-]1 ZINC000518651498 384150729 /nfs/dbraw/zinc/15/07/29/384150729.db2.gz LDXZLMMLGOYEOF-PHDIDXHHSA-N -1 3 210.237 0.798 20 0 BCADHM COc1nnc(NC(=O)C[C@H]2C[C@H]2C)[n-]1 ZINC000518651498 384150734 /nfs/dbraw/zinc/15/07/34/384150734.db2.gz LDXZLMMLGOYEOF-PHDIDXHHSA-N -1 3 210.237 0.798 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@H]2C[C@H]2C)n1 ZINC000518651498 384150738 /nfs/dbraw/zinc/15/07/38/384150738.db2.gz LDXZLMMLGOYEOF-PHDIDXHHSA-N -1 3 210.237 0.798 20 0 BCADHM O=C(NCc1ncc[nH]1)c1c([O-])cccc1O ZINC000092121735 384140467 /nfs/dbraw/zinc/14/04/67/384140467.db2.gz RDOFMKXESKUJBC-UHFFFAOYSA-N -1 3 233.227 0.751 20 0 BCADHM Cn1ncnc1NC(=O)c1c([O-])cccc1O ZINC000092125158 384142762 /nfs/dbraw/zinc/14/27/62/384142762.db2.gz MMOLBTYSYBVXNU-UHFFFAOYSA-N -1 3 234.215 0.479 20 0 BCADHM COC[C@H](O)CNC(=O)c1cccc(C)c1[O-] ZINC000071267908 384158979 /nfs/dbraw/zinc/15/89/79/384158979.db2.gz XPSHONXLJCZJLC-SECBINFHSA-N -1 3 239.271 0.438 20 0 BCADHM CCN(CCO)C(=O)c1c([O-])cccc1O ZINC000092107824 384161482 /nfs/dbraw/zinc/16/14/82/384161482.db2.gz PECQBUIVAKHEML-UHFFFAOYSA-N -1 3 225.244 0.552 20 0 BCADHM CC[C@@H](CCO)[N-]S(=O)(=O)c1ccco1 ZINC000188717477 384162930 /nfs/dbraw/zinc/16/29/30/384162930.db2.gz FBOXIWYROLPVJK-QMMMGPOBSA-N -1 3 233.289 0.719 20 0 BCADHM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1ccco1 ZINC000188712453 384163957 /nfs/dbraw/zinc/16/39/57/384163957.db2.gz NGYROKHKXMJHNN-SNVBAGLBSA-N -1 3 247.316 0.965 20 0 BCADHM O=C(NC[C@@H]1C[C@H](F)CN1)c1ncccc1[O-] ZINC000648140813 384171165 /nfs/dbraw/zinc/17/11/65/384171165.db2.gz LZGHIXAZSWRXPO-YUMQZZPRSA-N -1 3 239.250 0.217 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)CC(C)C)n1 ZINC000118662395 384205883 /nfs/dbraw/zinc/20/58/83/384205883.db2.gz XEEYVZHATZFUEC-UHFFFAOYSA-N -1 3 240.263 0.505 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)CC(C)C)[n-]1 ZINC000118662395 384205889 /nfs/dbraw/zinc/20/58/89/384205889.db2.gz XEEYVZHATZFUEC-UHFFFAOYSA-N -1 3 240.263 0.505 20 0 BCADHM COC(=O)Cc1nc(NC(=O)CC(C)C)n[n-]1 ZINC000118662395 384205893 /nfs/dbraw/zinc/20/58/93/384205893.db2.gz XEEYVZHATZFUEC-UHFFFAOYSA-N -1 3 240.263 0.505 20 0 BCADHM Cc1cc([N-]S(=O)(=O)N2CCCC2)nn1C ZINC000408413888 384189213 /nfs/dbraw/zinc/18/92/13/384189213.db2.gz WNXNGOXWIGBGJU-UHFFFAOYSA-N -1 3 244.320 0.481 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC[C@H](O)C1CC1 ZINC000553199015 384193969 /nfs/dbraw/zinc/19/39/69/384193969.db2.gz LGNYPLQLPKEVIB-NSHDSACASA-N -1 3 236.271 0.217 20 0 BCADHM C[C@@H](NC(=O)c1cccc([O-])c1)C(=O)N(C)C ZINC000042573690 384231911 /nfs/dbraw/zinc/23/19/11/384231911.db2.gz YNQMVERFPIDKEF-MRVPVSSYSA-N -1 3 236.271 0.599 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC(CO)C1 ZINC000084986467 384258534 /nfs/dbraw/zinc/25/85/34/384258534.db2.gz XWVAVJYTTQHGLM-UHFFFAOYSA-N -1 3 207.229 0.457 20 0 BCADHM C[C@H](O)CCNC(=O)c1ccccc1[O-] ZINC000082994761 384272703 /nfs/dbraw/zinc/27/27/03/384272703.db2.gz JGRNLNQBIYBKAT-QMMMGPOBSA-N -1 3 209.245 0.893 20 0 BCADHM C[C@H](CCCO)NC(=O)c1ccc(O)cc1[O-] ZINC000094945570 384321775 /nfs/dbraw/zinc/32/17/75/384321775.db2.gz YSTRPRPEWJKVDG-MRVPVSSYSA-N -1 3 239.271 0.989 20 0 BCADHM CC(=O)c1cccc(CNC(=O)c2c[n-]nn2)c1 ZINC000560669922 384295880 /nfs/dbraw/zinc/29/58/80/384295880.db2.gz BDJFMMYMFLGPBD-UHFFFAOYSA-N -1 3 244.254 0.937 20 0 BCADHM CC(=O)c1cccc(CNC(=O)c2cnn[n-]2)c1 ZINC000560669922 384295883 /nfs/dbraw/zinc/29/58/83/384295883.db2.gz BDJFMMYMFLGPBD-UHFFFAOYSA-N -1 3 244.254 0.937 20 0 BCADHM CC(=O)c1cccc(CNC(=O)c2cn[n-]n2)c1 ZINC000560669922 384295888 /nfs/dbraw/zinc/29/58/88/384295888.db2.gz BDJFMMYMFLGPBD-UHFFFAOYSA-N -1 3 244.254 0.937 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)CCO ZINC000120275052 384343748 /nfs/dbraw/zinc/34/37/48/384343748.db2.gz ZJJXAYPUAGJJEZ-ZCFIWIBFSA-N -1 3 248.304 0.341 20 0 BCADHM C[C@@H](CCO)[N-]S(=O)(=O)c1ccccc1F ZINC000120333193 384346186 /nfs/dbraw/zinc/34/61/86/384346186.db2.gz VNJQPCHVQKJFMS-QMMMGPOBSA-N -1 3 247.291 0.875 20 0 BCADHM C[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000298823667 384413725 /nfs/dbraw/zinc/41/37/25/384413725.db2.gz QGADITXHEWJNIR-UHFFFAOYSA-N -1 3 235.286 0.443 20 0 BCADHM Oc1[n-]c(N2CCC[C@H]2CF)nc2nncc1-2 ZINC000292846666 384436994 /nfs/dbraw/zinc/43/69/94/384436994.db2.gz QWLIXLMMMFKQSJ-LURJTMIESA-N -1 3 237.238 0.997 20 0 BCADHM CNC(=O)CCNCc1nc(C)ccc1[O-] ZINC000078739397 384459682 /nfs/dbraw/zinc/45/96/82/384459682.db2.gz QTOAHIJTKZKVSN-UHFFFAOYSA-N -1 3 223.276 0.321 20 0 BCADHM C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000036983885 384469973 /nfs/dbraw/zinc/46/99/73/384469973.db2.gz NRRMOOFDBFPRFD-UHFFFAOYSA-N -1 3 247.272 0.591 20 0 BCADHM CCO[N-]C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000048121910 384476940 /nfs/dbraw/zinc/47/69/40/384476940.db2.gz RXUNCUGOKJUHGM-UHFFFAOYSA-N -1 3 247.258 0.273 20 0 BCADHM Cc1nn(C)c(C)c1[N-]S(=O)(=O)N1CCC1 ZINC000556792266 384483335 /nfs/dbraw/zinc/48/33/35/384483335.db2.gz ZSTSSOYJCSCIDO-UHFFFAOYSA-N -1 3 244.320 0.399 20 0 BCADHM COC(=O)CCNC(=O)Cc1cncc([O-])c1 ZINC000561115590 384505261 /nfs/dbraw/zinc/50/52/61/384505261.db2.gz CECBAECVIWZWQZ-UHFFFAOYSA-N -1 3 238.243 0.009 20 0 BCADHM CCOCCN1CCSC[C@H]1CC(=O)[O-] ZINC000085611320 384543764 /nfs/dbraw/zinc/54/37/64/384543764.db2.gz MBQBJGJDOVVLCV-SECBINFHSA-N -1 3 233.333 0.915 20 0 BCADHM CCC(O)(CC)CNC(=O)c1c[n-]nn1 ZINC000085696435 384544456 /nfs/dbraw/zinc/54/44/56/384544456.db2.gz LWWZXVFBELBPQZ-UHFFFAOYSA-N -1 3 212.253 0.086 20 0 BCADHM CCC(O)(CC)CNC(=O)c1cnn[n-]1 ZINC000085696435 384544465 /nfs/dbraw/zinc/54/44/65/384544465.db2.gz LWWZXVFBELBPQZ-UHFFFAOYSA-N -1 3 212.253 0.086 20 0 BCADHM CCC(O)(CC)CNC(=O)c1cn[n-]n1 ZINC000085696435 384544467 /nfs/dbraw/zinc/54/44/67/384544467.db2.gz LWWZXVFBELBPQZ-UHFFFAOYSA-N -1 3 212.253 0.086 20 0 BCADHM CCO[N-]C(=O)/C=C\c1cnn(C)c1C ZINC000255443553 384546366 /nfs/dbraw/zinc/54/63/66/384546366.db2.gz UONRKVZUMNOQLC-WAYWQWQTSA-N -1 3 209.249 0.809 20 0 BCADHM C[C@@H](CC(N)=O)NC(=O)c1c([O-])cccc1O ZINC000220245020 384567144 /nfs/dbraw/zinc/56/71/44/384567144.db2.gz PDNZXLPPORUWSI-LURJTMIESA-N -1 3 238.243 0.092 20 0 BCADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)[C@H](C)CO ZINC000561286674 384621885 /nfs/dbraw/zinc/62/18/85/384621885.db2.gz LTXHWJOLNKRBBM-RKDXNWHRSA-N -1 3 238.287 0.463 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000561289589 384626034 /nfs/dbraw/zinc/62/60/34/384626034.db2.gz DAOFGDNRTAXVCQ-SSDOTTSWSA-N -1 3 238.243 0.007 20 0 BCADHM CCn1c(=O)[n-]nc1SCn1cccn1 ZINC000559193022 384628250 /nfs/dbraw/zinc/62/82/50/384628250.db2.gz CSVQLBUWQOQZEL-UHFFFAOYSA-N -1 3 225.277 0.950 20 0 BCADHM COc1nnc(NC(=O)CN2CC[C@H](C)C2)[n-]1 ZINC000517961448 384592638 /nfs/dbraw/zinc/59/26/38/384592638.db2.gz VSFPVWUKQDVKQI-ZETCQYMHSA-N -1 3 239.279 0.094 20 0 BCADHM COc1nc(NC(=O)CN2CC[C@H](C)C2)n[n-]1 ZINC000517961448 384592645 /nfs/dbraw/zinc/59/26/45/384592645.db2.gz VSFPVWUKQDVKQI-ZETCQYMHSA-N -1 3 239.279 0.094 20 0 BCADHM COc1n[n-]c(NC(=O)CN2CC[C@H](C)C2)n1 ZINC000517961448 384592651 /nfs/dbraw/zinc/59/26/51/384592651.db2.gz VSFPVWUKQDVKQI-ZETCQYMHSA-N -1 3 239.279 0.094 20 0 BCADHM CCCCOCC(=O)[N-]c1nncn1C ZINC000163022301 384724172 /nfs/dbraw/zinc/72/41/72/384724172.db2.gz NDAZEDHNQCNERW-UHFFFAOYSA-N -1 3 212.253 0.570 20 0 BCADHM CC[C@@H]1CN(C)CCN1C(=O)c1cncc([O-])c1 ZINC000580114276 384684112 /nfs/dbraw/zinc/68/41/12/384684112.db2.gz PYPVVVRKEXSQAQ-LLVKDONJSA-N -1 3 249.314 0.953 20 0 BCADHM CC(C)N(CC(N)=O)C(=O)c1ccccc1[O-] ZINC000052076910 384710246 /nfs/dbraw/zinc/71/02/46/384710246.db2.gz KBJJYVDEMUUYPD-UHFFFAOYSA-N -1 3 236.271 0.728 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC[C@H](C)O ZINC000082996625 384738680 /nfs/dbraw/zinc/73/86/80/384738680.db2.gz MHMGEXUZGDMSET-LURJTMIESA-N -1 3 248.304 0.341 20 0 BCADHM COC(C)(C)C[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000174146834 384759247 /nfs/dbraw/zinc/75/92/47/384759247.db2.gz QSXGEVSMVZIVII-SSDOTTSWSA-N -1 3 226.280 0.738 20 0 BCADHM COC(C)(C)C[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000174146834 384759253 /nfs/dbraw/zinc/75/92/53/384759253.db2.gz QSXGEVSMVZIVII-SSDOTTSWSA-N -1 3 226.280 0.738 20 0 BCADHM COC(C)(C)C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000174146834 384759261 /nfs/dbraw/zinc/75/92/61/384759261.db2.gz QSXGEVSMVZIVII-SSDOTTSWSA-N -1 3 226.280 0.738 20 0 BCADHM CC(C)N1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000104417994 384826812 /nfs/dbraw/zinc/82/68/12/384826812.db2.gz WINGJDWZVAYWKS-UHFFFAOYSA-N -1 3 249.314 0.953 20 0 BCADHM CCO[C@@H](C)C(=O)Nc1[n-]cnc1C(=O)OC ZINC000559235170 384829342 /nfs/dbraw/zinc/82/93/42/384829342.db2.gz TWKRYONTJUFEDZ-LURJTMIESA-N -1 3 241.247 0.560 20 0 BCADHM CCO[C@@H](C)C(=O)Nc1nc[n-]c1C(=O)OC ZINC000559235170 384829346 /nfs/dbraw/zinc/82/93/46/384829346.db2.gz TWKRYONTJUFEDZ-LURJTMIESA-N -1 3 241.247 0.560 20 0 BCADHM CCCC(O)(CCC)CNC(=O)c1c[n-]nn1 ZINC000174464402 384793811 /nfs/dbraw/zinc/79/38/11/384793811.db2.gz UDKQPPAPVDFOGL-UHFFFAOYSA-N -1 3 240.307 0.866 20 0 BCADHM CCCC(O)(CCC)CNC(=O)c1cnn[n-]1 ZINC000174464402 384793818 /nfs/dbraw/zinc/79/38/18/384793818.db2.gz UDKQPPAPVDFOGL-UHFFFAOYSA-N -1 3 240.307 0.866 20 0 BCADHM CCCC(O)(CCC)CNC(=O)c1cn[n-]n1 ZINC000174464402 384793824 /nfs/dbraw/zinc/79/38/24/384793824.db2.gz UDKQPPAPVDFOGL-UHFFFAOYSA-N -1 3 240.307 0.866 20 0 BCADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)CS1 ZINC000335250446 384872130 /nfs/dbraw/zinc/87/21/30/384872130.db2.gz OZVZFSGDNCMVAM-NKWVEPMBSA-N -1 3 247.345 0.582 20 0 BCADHM COC(=O)[C@H]([N-]C(=O)C(F)F)C(C)C ZINC000220542325 384850688 /nfs/dbraw/zinc/85/06/88/384850688.db2.gz HBFPQMQUZYGJGB-RXMQYKEDSA-N -1 3 209.192 0.565 20 0 BCADHM Cc1cccc(C(=O)NCc2nnn(C)n2)c1[O-] ZINC000398229710 384857112 /nfs/dbraw/zinc/85/71/12/384857112.db2.gz RRXPRKKATSZNPR-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM Cc1ccc([O-])c(CN[C@H](C)C[S@@](C)=O)n1 ZINC000164259145 384950541 /nfs/dbraw/zinc/95/05/41/384950541.db2.gz DMXKZBXDKXRJOS-ABKXIKBNSA-N -1 3 242.344 0.952 20 0 BCADHM CN(C)CCNC(=O)c1cc(F)ccc1[O-] ZINC000149969710 384955903 /nfs/dbraw/zinc/95/59/03/384955903.db2.gz WIOCILUBNWCQSZ-UHFFFAOYSA-N -1 3 226.251 0.823 20 0 BCADHM CCOCCn1cc(Cl)c(=O)[n-]c1=O ZINC000085633007 384956240 /nfs/dbraw/zinc/95/62/40/384956240.db2.gz HZIKFACDZWLRHI-UHFFFAOYSA-N -1 3 218.640 0.227 20 0 BCADHM CC[C@@H](CO)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000294131941 384900512 /nfs/dbraw/zinc/90/05/12/384900512.db2.gz OPAOPSUEQFZUQF-VIFPVBQESA-N -1 3 248.286 0.801 20 0 BCADHM COCCCNC(=O)Cc1cncc([O-])c1 ZINC000557444689 384944124 /nfs/dbraw/zinc/94/41/24/384944124.db2.gz SWCCZRRPXFXQAD-UHFFFAOYSA-N -1 3 224.260 0.482 20 0 BCADHM COC(=O)c1cnc(SCCC(N)=O)[n-]1 ZINC000187587213 384960419 /nfs/dbraw/zinc/96/04/19/384960419.db2.gz XYNYOLURSBPLSY-UHFFFAOYSA-N -1 3 229.261 0.164 20 0 BCADHM C[C@H](F)CCN=c1ncnc2[nH][n-]cc1-2 ZINC000338759527 384946942 /nfs/dbraw/zinc/94/69/42/384946942.db2.gz ZEZIRLWUJBOJRL-LURJTMIESA-N -1 3 209.228 0.886 20 0 BCADHM CO[C@@H]1COC[C@H]1NCc1nc(C)ccc1[O-] ZINC000647242670 385006104 /nfs/dbraw/zinc/00/61/04/385006104.db2.gz QDKBZXBLOSORQA-ZYHUDNBSSA-N -1 3 238.287 0.599 20 0 BCADHM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1ccco1 ZINC000188706281 385084329 /nfs/dbraw/zinc/08/43/29/385084329.db2.gz UVQGEBHHWZGMET-SECBINFHSA-N -1 3 247.316 0.965 20 0 BCADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CC(O)C1 ZINC000646920253 385060230 /nfs/dbraw/zinc/06/02/30/385060230.db2.gz QAKMKBHDFUQBOM-UHFFFAOYSA-N -1 3 233.227 0.085 20 0 BCADHM O=S(=O)([N-]C[C@H]1CCCO1)c1ccco1 ZINC000188549307 385062250 /nfs/dbraw/zinc/06/22/50/385062250.db2.gz LQYQNSIAEGRCNV-MRVPVSSYSA-N -1 3 231.273 0.737 20 0 BCADHM CCN(CC)CC[N-]S(=O)(=O)c1ccco1 ZINC000188548844 385062958 /nfs/dbraw/zinc/06/29/58/385062958.db2.gz MSBXVRXQZLQHBZ-UHFFFAOYSA-N -1 3 246.332 0.900 20 0 BCADHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188529710 385064197 /nfs/dbraw/zinc/06/41/97/385064197.db2.gz OQKMTUZYBDEIET-YUMQZZPRSA-N -1 3 233.289 0.981 20 0 BCADHM CCN(C)CC[N-]S(=O)(=O)c1ccco1 ZINC000188639925 385070238 /nfs/dbraw/zinc/07/02/38/385070238.db2.gz ZFOGOBYJSLZVPJ-UHFFFAOYSA-N -1 3 232.305 0.510 20 0 BCADHM CC[C@H](CO)[N-]S(=O)(=O)c1ccco1 ZINC000188704052 385080719 /nfs/dbraw/zinc/08/07/19/385080719.db2.gz VNKIQPCFNJSJAD-SSDOTTSWSA-N -1 3 219.262 0.329 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)CCC1CCC1 ZINC000332075522 385082574 /nfs/dbraw/zinc/08/25/74/385082574.db2.gz WOWVSGCBMXSUGR-QMMMGPOBSA-N -1 3 249.332 0.658 20 0 BCADHM O=S(=O)([N-][C@H]1CCCC[C@H]1O)c1ccco1 ZINC000188706427 385083063 /nfs/dbraw/zinc/08/30/63/385083063.db2.gz QWVCMSPRDMVMGY-DTWKUNHWSA-N -1 3 245.300 0.861 20 0 BCADHM Cc1nnc(CCNc2ncccc2C(=O)[O-])[nH]1 ZINC000647451293 385037702 /nfs/dbraw/zinc/03/77/02/385037702.db2.gz SVAKBZUSJSXSAU-UHFFFAOYSA-N -1 3 247.258 0.861 20 0 BCADHM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1ccco1 ZINC000188716617 385083260 /nfs/dbraw/zinc/08/32/60/385083260.db2.gz QGOURFRHDYRVIG-RKDXNWHRSA-N -1 3 247.316 0.965 20 0 BCADHM CS[C@@H](C)CNC(=O)c1c[n-]nn1 ZINC000130429234 385041238 /nfs/dbraw/zinc/04/12/38/385041238.db2.gz YBJSLUUPYHSPAG-YFKPBYRVSA-N -1 3 200.267 0.286 20 0 BCADHM CS[C@@H](C)CNC(=O)c1cnn[n-]1 ZINC000130429234 385041248 /nfs/dbraw/zinc/04/12/48/385041248.db2.gz YBJSLUUPYHSPAG-YFKPBYRVSA-N -1 3 200.267 0.286 20 0 BCADHM CS[C@@H](C)CNC(=O)c1cn[n-]n1 ZINC000130429234 385041252 /nfs/dbraw/zinc/04/12/52/385041252.db2.gz YBJSLUUPYHSPAG-YFKPBYRVSA-N -1 3 200.267 0.286 20 0 BCADHM Cc1nc(C(=O)[N-]c2nc(C)n(C)n2)co1 ZINC000646988838 385121330 /nfs/dbraw/zinc/12/13/30/385121330.db2.gz WJXKRSRITRTPGF-UHFFFAOYSA-N -1 3 221.220 0.672 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](O)C1 ZINC000061704191 385130977 /nfs/dbraw/zinc/13/09/77/385130977.db2.gz PNCAQKPLQVTWIF-QMMMGPOBSA-N -1 3 223.228 0.305 20 0 BCADHM Cc1ccc(C(=O)N2CC[C@H](O)C2)c([O-])c1 ZINC000061704626 385132710 /nfs/dbraw/zinc/13/27/10/385132710.db2.gz WIDJISCMKAIWCE-VIFPVBQESA-N -1 3 221.256 0.907 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188763956 385086331 /nfs/dbraw/zinc/08/63/31/385086331.db2.gz SZIAZNZRGHTJRQ-ZCFIWIBFSA-N -1 3 233.245 0.119 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H](F)CN1 ZINC000188801749 385090301 /nfs/dbraw/zinc/09/03/01/385090301.db2.gz QQHQPHOMROLNEQ-NKWVEPMBSA-N -1 3 225.223 0.426 20 0 BCADHM O=C([O-])CNC(=O)CN(CC1CC1)CC1CC1 ZINC000358421962 385156296 /nfs/dbraw/zinc/15/62/96/385156296.db2.gz FCIPMYRGGOGDRP-UHFFFAOYSA-N -1 3 240.303 0.309 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)Cc2nc[nH]n2)n1 ZINC000176903425 385157221 /nfs/dbraw/zinc/15/72/21/385157221.db2.gz PIAKELMSTXBXBN-UHFFFAOYSA-N -1 3 248.290 0.495 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)Cc2nnc[nH]2)n1 ZINC000176903425 385157225 /nfs/dbraw/zinc/15/72/25/385157225.db2.gz PIAKELMSTXBXBN-UHFFFAOYSA-N -1 3 248.290 0.495 20 0 BCADHM Cn1cnnc1CCNC(=O)c1ccccc1[O-] ZINC000109425691 385161497 /nfs/dbraw/zinc/16/14/97/385161497.db2.gz OADYKKYNBPNVFY-UHFFFAOYSA-N -1 3 246.270 0.493 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCN(C)C2=O)c1 ZINC000152402808 385179724 /nfs/dbraw/zinc/17/97/24/385179724.db2.gz MWWYYNZNSJUHMD-JTQLQIEISA-N -1 3 248.282 0.661 20 0 BCADHM CC(C)c1nn(C)cc1NC(=O)c1cnn[n-]1 ZINC000305894125 385207047 /nfs/dbraw/zinc/20/70/47/385207047.db2.gz OHNDPYYYCKZYQT-UHFFFAOYSA-N -1 3 234.263 0.914 20 0 BCADHM CC(C)c1nn(C)cc1NC(=O)c1c[n-]nn1 ZINC000305894125 385207051 /nfs/dbraw/zinc/20/70/51/385207051.db2.gz OHNDPYYYCKZYQT-UHFFFAOYSA-N -1 3 234.263 0.914 20 0 BCADHM CC(C)c1nn(C)cc1NC(=O)c1cn[n-]n1 ZINC000305894125 385207052 /nfs/dbraw/zinc/20/70/52/385207052.db2.gz OHNDPYYYCKZYQT-UHFFFAOYSA-N -1 3 234.263 0.914 20 0 BCADHM CCSCCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000300973787 385212077 /nfs/dbraw/zinc/21/20/77/385212077.db2.gz SKIUUUFXKJYJME-UHFFFAOYSA-N -1 3 249.361 0.831 20 0 BCADHM C[C@@H](CN(C)C)NC(=O)c1ncccc1[O-] ZINC000130522984 385255234 /nfs/dbraw/zinc/25/52/34/385255234.db2.gz RXHJWWQBDWWPGV-QMMMGPOBSA-N -1 3 223.276 0.467 20 0 BCADHM CC(C)CCCNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000154172497 385308489 /nfs/dbraw/zinc/30/84/89/385308489.db2.gz WPJDTTKNEPGHJF-QMMMGPOBSA-N -1 3 241.291 0.137 20 0 BCADHM CSC[C@H](C)NC(=O)c1c[n-]nn1 ZINC000120135346 385272805 /nfs/dbraw/zinc/27/28/05/385272805.db2.gz YGLDLZIHMSUNNI-YFKPBYRVSA-N -1 3 200.267 0.286 20 0 BCADHM CSC[C@H](C)NC(=O)c1cnn[n-]1 ZINC000120135346 385272809 /nfs/dbraw/zinc/27/28/09/385272809.db2.gz YGLDLZIHMSUNNI-YFKPBYRVSA-N -1 3 200.267 0.286 20 0 BCADHM CSC[C@H](C)NC(=O)c1cn[n-]n1 ZINC000120135346 385272816 /nfs/dbraw/zinc/27/28/16/385272816.db2.gz YGLDLZIHMSUNNI-YFKPBYRVSA-N -1 3 200.267 0.286 20 0 BCADHM CC1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000407981676 385288644 /nfs/dbraw/zinc/28/86/44/385288644.db2.gz UUJCFEAXQAOMJI-UHFFFAOYSA-N -1 3 236.275 0.340 20 0 BCADHM C[C@@H](CO)[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000166985243 385292272 /nfs/dbraw/zinc/29/22/72/385292272.db2.gz YTNYVPZQOAMXRH-JGVFFNPUSA-N -1 3 239.271 0.845 20 0 BCADHM C[C@@H](O)C(C)(C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000167093613 385299065 /nfs/dbraw/zinc/29/90/65/385299065.db2.gz SGIYTUXXNLSVKN-SSDOTTSWSA-N -1 3 248.286 0.847 20 0 BCADHM O=C(CN1CCOCC1)Nc1ncccc1[O-] ZINC000154791701 385355327 /nfs/dbraw/zinc/35/53/27/385355327.db2.gz QOOZGALIJOUWMU-UHFFFAOYSA-N -1 3 237.259 0.058 20 0 BCADHM N[C@@H](C(=O)[N-]CC(F)(F)F)C(F)(F)F ZINC000309014098 385369742 /nfs/dbraw/zinc/36/97/42/385369742.db2.gz SZBYAPSAJBLRQM-REOHCLBHSA-N -1 3 224.104 0.555 20 0 BCADHM NC(C(=O)[N-]CC(F)(F)F)C(F)(F)F ZINC000309014098 385369748 /nfs/dbraw/zinc/36/97/48/385369748.db2.gz SZBYAPSAJBLRQM-REOHCLBHSA-N -1 3 224.104 0.555 20 0 BCADHM Cn1nccc1CNC(=O)c1ccc(O)cc1[O-] ZINC000179419906 385375234 /nfs/dbraw/zinc/37/52/34/385375234.db2.gz VAWSIPXQIUHWQY-UHFFFAOYSA-N -1 3 247.254 0.761 20 0 BCADHM C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)Cc1ccon1 ZINC000408028956 385438210 /nfs/dbraw/zinc/43/82/10/385438210.db2.gz RLQCTAXSQYCGRK-IONNQARKSA-N -1 3 246.288 0.271 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CCCCC(=O)N1 ZINC000194476203 385436803 /nfs/dbraw/zinc/43/68/03/385436803.db2.gz KPYGQWAKIJMPON-QMMMGPOBSA-N -1 3 249.270 0.785 20 0 BCADHM O=S(=O)(C[C@@H]1CCCO1)[N-]Cc1ccco1 ZINC000170653340 385437730 /nfs/dbraw/zinc/43/77/30/385437730.db2.gz XAPZTIJZUWLEIN-JTQLQIEISA-N -1 3 245.300 0.878 20 0 BCADHM Cc1nc(C)c(CCC(=O)N[C@H]2C[C@@H]2C)c(=O)[n-]1 ZINC000171060498 385466179 /nfs/dbraw/zinc/46/61/79/385466179.db2.gz QYDNUSQASCVCFS-CPCISQLKSA-N -1 3 249.314 0.844 20 0 BCADHM C[C@@H](O)c1ccc(CNC(=O)c2c[n-]nn2)cc1 ZINC000171127813 385469641 /nfs/dbraw/zinc/46/96/41/385469641.db2.gz OWHDGFGICSUNHZ-MRVPVSSYSA-N -1 3 246.270 0.788 20 0 BCADHM C[C@@H](O)c1ccc(CNC(=O)c2cnn[n-]2)cc1 ZINC000171127813 385469644 /nfs/dbraw/zinc/46/96/44/385469644.db2.gz OWHDGFGICSUNHZ-MRVPVSSYSA-N -1 3 246.270 0.788 20 0 BCADHM C[C@@H](O)c1ccc(CNC(=O)c2cn[n-]n2)cc1 ZINC000171127813 385469652 /nfs/dbraw/zinc/46/96/52/385469652.db2.gz OWHDGFGICSUNHZ-MRVPVSSYSA-N -1 3 246.270 0.788 20 0 BCADHM O=C(N[C@@H]1CCOC1)c1cccc2nn[n-]c21 ZINC000188623868 385472959 /nfs/dbraw/zinc/47/29/59/385472959.db2.gz IIHAVHGURPWYBU-SSDOTTSWSA-N -1 3 232.243 0.477 20 0 BCADHM O=C(N[C@@H]1CCOC1)c1cccc2[n-]nnc21 ZINC000188623868 385472966 /nfs/dbraw/zinc/47/29/66/385472966.db2.gz IIHAVHGURPWYBU-SSDOTTSWSA-N -1 3 232.243 0.477 20 0 BCADHM O=C(N[C@@H]1CCOC1)c1cccc2n[n-]nc21 ZINC000188623868 385472969 /nfs/dbraw/zinc/47/29/69/385472969.db2.gz IIHAVHGURPWYBU-SSDOTTSWSA-N -1 3 232.243 0.477 20 0 BCADHM CC[C@@H](C)[C@@H](C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000179611240 385477856 /nfs/dbraw/zinc/47/78/56/385477856.db2.gz AUFNCLYOMPDGLN-PRJMDXOYSA-N -1 3 241.291 0.135 20 0 BCADHM CN(C)CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000171392007 385480952 /nfs/dbraw/zinc/48/09/52/385480952.db2.gz BRZZAZMCALBSLI-UHFFFAOYSA-N -1 3 246.274 0.367 20 0 BCADHM CN1CCOC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000408031258 385487207 /nfs/dbraw/zinc/48/72/07/385487207.db2.gz SDBIOEJWMARQRW-JTQLQIEISA-N -1 3 236.271 0.661 20 0 BCADHM CN(CCCO)C(=O)c1cccc([O-])c1 ZINC000281921977 385459132 /nfs/dbraw/zinc/45/91/32/385459132.db2.gz KURICILRVAWWQM-UHFFFAOYSA-N -1 3 209.245 0.847 20 0 BCADHM CCS(=O)(=O)c1nnc(C(C)(C)C)[n-]1 ZINC000195167875 385462015 /nfs/dbraw/zinc/46/20/15/385462015.db2.gz GCLWBDHNQXUMJJ-UHFFFAOYSA-N -1 3 217.294 0.896 20 0 BCADHM CCS(=O)(=O)c1nc(C(C)(C)C)n[n-]1 ZINC000195167875 385462019 /nfs/dbraw/zinc/46/20/19/385462019.db2.gz GCLWBDHNQXUMJJ-UHFFFAOYSA-N -1 3 217.294 0.896 20 0 BCADHM C[C@@H]1C[C@H](O)CN(c2ccncc2C(=O)[O-])C1 ZINC000401648255 385492411 /nfs/dbraw/zinc/49/24/11/385492411.db2.gz JGRMSZLQYRRUEA-BDAKNGLRSA-N -1 3 236.271 0.987 20 0 BCADHM Cc1cc(C(=O)NC[C@H](O)C(C)C)[n-]c(=O)n1 ZINC000157294640 385495684 /nfs/dbraw/zinc/49/56/84/385495684.db2.gz SSVCFEYJNQZUBZ-VIFPVBQESA-N -1 3 239.275 0.237 20 0 BCADHM O=C(CNC(=O)c1cccc([O-])c1)NCC1CC1 ZINC000183004285 385500128 /nfs/dbraw/zinc/50/01/28/385500128.db2.gz RJICXJQRLMAJOH-UHFFFAOYSA-N -1 3 248.282 0.648 20 0 BCADHM CCN(CCOC)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000354496867 385579519 /nfs/dbraw/zinc/57/95/19/385579519.db2.gz AAKQXKRLOAYHFA-UHFFFAOYSA-N -1 3 236.279 0.190 20 0 BCADHM C[C@@H](CN=c1nn[n-]n1C)N1CCC[C@H](C)C1 ZINC000593991545 385591731 /nfs/dbraw/zinc/59/17/31/385591731.db2.gz ZGSHTJWPWPOYTM-UWVGGRQHSA-N -1 3 238.339 0.164 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@@H]1CCC(=O)NC1 ZINC000208660165 385607524 /nfs/dbraw/zinc/60/75/24/385607524.db2.gz JDAHOWZTXJUDMN-MRVPVSSYSA-N -1 3 234.255 0.857 20 0 BCADHM Cc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)co1 ZINC000647718030 385662958 /nfs/dbraw/zinc/66/29/58/385662958.db2.gz ZSROPBYIDHMJFB-UHFFFAOYSA-N -1 3 249.270 0.974 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCC(=O)N1 ZINC000270251145 385689740 /nfs/dbraw/zinc/68/97/40/385689740.db2.gz FXRPCOBNXRMEPF-VIFPVBQESA-N -1 3 234.255 0.999 20 0 BCADHM C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1ccco1 ZINC000525836268 385695797 /nfs/dbraw/zinc/69/57/97/385695797.db2.gz PJLBANBWWPGJAO-PKRMOACSSA-N -1 3 245.300 0.885 20 0 BCADHM Cc1ccc([O-])c(CN(C)CCCO)n1 ZINC000281842594 385707807 /nfs/dbraw/zinc/70/78/07/385707807.db2.gz TUAMWRBPLFTGOL-UHFFFAOYSA-N -1 3 210.277 0.910 20 0 BCADHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC1 ZINC000281887702 385711875 /nfs/dbraw/zinc/71/18/75/385711875.db2.gz ARUJXGFYTRJEQJ-UHFFFAOYSA-N -1 3 220.207 0.943 20 0 BCADHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC1 ZINC000281887702 385711880 /nfs/dbraw/zinc/71/18/80/385711880.db2.gz ARUJXGFYTRJEQJ-UHFFFAOYSA-N -1 3 220.207 0.943 20 0 BCADHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC1 ZINC000281887702 385711886 /nfs/dbraw/zinc/71/18/86/385711886.db2.gz ARUJXGFYTRJEQJ-UHFFFAOYSA-N -1 3 220.207 0.943 20 0 BCADHM CCC[C@](C)(O)C(=O)Nc1nnc(OC)[n-]1 ZINC000183002414 385727607 /nfs/dbraw/zinc/72/76/07/385727607.db2.gz YKHFIQUPTXDUKX-VIFPVBQESA-N -1 3 228.252 0.303 20 0 BCADHM CCC[C@](C)(O)C(=O)Nc1n[n-]c(OC)n1 ZINC000183002414 385727613 /nfs/dbraw/zinc/72/76/13/385727613.db2.gz YKHFIQUPTXDUKX-VIFPVBQESA-N -1 3 228.252 0.303 20 0 BCADHM CCC[C@](C)(O)C(=O)Nc1nc(OC)n[n-]1 ZINC000183002414 385727614 /nfs/dbraw/zinc/72/76/14/385727614.db2.gz YKHFIQUPTXDUKX-VIFPVBQESA-N -1 3 228.252 0.303 20 0 BCADHM Cc1ccc([O-])c(CN2CC(=O)N(C)[C@@H](C)C2)n1 ZINC000282251237 385744920 /nfs/dbraw/zinc/74/49/20/385744920.db2.gz BELVMXNCMDCDJO-JTQLQIEISA-N -1 3 249.314 0.758 20 0 BCADHM CCON=C([O-])Nc1ccn(CCOC)n1 ZINC000182969321 385724672 /nfs/dbraw/zinc/72/46/72/385724672.db2.gz FWRSVWJZCOWFCT-UHFFFAOYSA-N -1 3 228.252 0.603 20 0 BCADHM CCO[N-]C(=O)Nc1ccn(CCOC)n1 ZINC000182969321 385724674 /nfs/dbraw/zinc/72/46/74/385724674.db2.gz FWRSVWJZCOWFCT-UHFFFAOYSA-N -1 3 228.252 0.603 20 0 BCADHM Cc1cc(C(=O)N2C[C@@H](C)[C@@H]2C)[n-]c(=O)n1 ZINC000294111874 385807938 /nfs/dbraw/zinc/80/79/38/385807938.db2.gz NADLDIHESXRDSY-SVRRBLITSA-N -1 3 221.260 0.971 20 0 BCADHM COc1cc(C)nc(CO[N-]C(C)=O)c1 ZINC000271231326 385808190 /nfs/dbraw/zinc/80/81/90/385808190.db2.gz UQKWDFMNEUFZIN-UHFFFAOYSA-N -1 3 210.233 0.966 20 0 BCADHM COC[C@H]1CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000294206158 385821762 /nfs/dbraw/zinc/82/17/62/385821762.db2.gz DGJSHJHNRTZDJB-SECBINFHSA-N -1 3 246.270 0.819 20 0 BCADHM CC(C)CO[N-]C(=O)c1cc[nH]c(=O)c1 ZINC000122977614 385841116 /nfs/dbraw/zinc/84/11/16/385841116.db2.gz RMQYSBIXRBXWSC-UHFFFAOYSA-N -1 3 210.233 0.692 20 0 BCADHM Cn1cc(CC(=O)[N-]OC2CCCC2)cn1 ZINC000271773150 385849775 /nfs/dbraw/zinc/84/97/75/385849775.db2.gz OBXDXKKNDAMBGN-UHFFFAOYSA-N -1 3 223.276 0.953 20 0 BCADHM COCCONC(=O)/C=C/c1cncc([O-])c1 ZINC000493167166 533146771 /nfs/dbraw/zinc/14/67/71/533146771.db2.gz ZLZXSDUNKVAGNL-NSCUHMNNSA-N -1 3 238.243 0.495 20 0 BCADHM Cc1ccc([O-])c(CN2CCO[C@H](CO)C2)n1 ZINC000271171380 385796351 /nfs/dbraw/zinc/79/63/51/385796351.db2.gz JCSQWKNGABNNQQ-JTQLQIEISA-N -1 3 238.287 0.289 20 0 BCADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccoc1)C(N)=O ZINC000285118821 385899714 /nfs/dbraw/zinc/89/97/14/385899714.db2.gz IJDOSFUZHILFHP-QMMMGPOBSA-N -1 3 246.288 0.068 20 0 BCADHM CCC[C@H](OC)C(=O)Nc1nnc(OC)[n-]1 ZINC000294893011 385911936 /nfs/dbraw/zinc/91/19/36/385911936.db2.gz HIJIUVIJPIWZGN-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCC[C@H](OC)C(=O)Nc1n[n-]c(OC)n1 ZINC000294893011 385911937 /nfs/dbraw/zinc/91/19/37/385911937.db2.gz HIJIUVIJPIWZGN-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCC[C@H](OC)C(=O)Nc1nc(OC)n[n-]1 ZINC000294893011 385911939 /nfs/dbraw/zinc/91/19/39/385911939.db2.gz HIJIUVIJPIWZGN-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM C[C@H]1CN(C(=O)c2ccc(F)cc2[O-])CCN1 ZINC000219051731 385918047 /nfs/dbraw/zinc/91/80/47/385918047.db2.gz MACOPNFWKTXQLP-QMMMGPOBSA-N -1 3 238.262 0.965 20 0 BCADHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2nnc[n-]2)n[nH]1 ZINC000272639903 385920258 /nfs/dbraw/zinc/92/02/58/385920258.db2.gz CIBQGSNCRVKFDU-RITPCOANSA-N -1 3 232.247 0.904 20 0 BCADHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2nc[n-]n2)n[nH]1 ZINC000272639903 385920262 /nfs/dbraw/zinc/92/02/62/385920262.db2.gz CIBQGSNCRVKFDU-RITPCOANSA-N -1 3 232.247 0.904 20 0 BCADHM CO[C@H]1CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000232434900 385864838 /nfs/dbraw/zinc/86/48/38/385864838.db2.gz HHVWZHCFQZZBRQ-QMMMGPOBSA-N -1 3 237.255 0.959 20 0 BCADHM CC[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000647768596 385940310 /nfs/dbraw/zinc/94/03/10/385940310.db2.gz KAHXDTCDYZEPFD-AEJSXWLSSA-N -1 3 242.319 0.839 20 0 BCADHM CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(=O)[O-] ZINC000647768660 385941880 /nfs/dbraw/zinc/94/18/80/385941880.db2.gz OOSAMTQEQMKVFP-IUCAKERBSA-N -1 3 230.308 0.552 20 0 BCADHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000342170804 385950421 /nfs/dbraw/zinc/95/04/21/385950421.db2.gz IBULFAFXKNMYDF-NKWVEPMBSA-N -1 3 233.293 0.111 20 0 BCADHM CCN(CC(N)=O)C(=O)c1ccc([O-])c(C)c1 ZINC000233431392 385951884 /nfs/dbraw/zinc/95/18/84/385951884.db2.gz UJIHARDTDAYMFR-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM CSCC[C@@H](O)C(=O)Nc1ncccc1[O-] ZINC000273071543 385966634 /nfs/dbraw/zinc/96/66/34/385966634.db2.gz KWAFVVHBFPBDLV-MRVPVSSYSA-N -1 3 242.300 0.840 20 0 BCADHM Cc1ncc(CNC(=O)[C@@H]2CCCO2)c(=O)[n-]1 ZINC000345106605 385997956 /nfs/dbraw/zinc/99/79/56/385997956.db2.gz KBKCDWSSZDYWIR-VIFPVBQESA-N -1 3 237.259 0.286 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC000273437737 386000610 /nfs/dbraw/zinc/00/06/10/386000610.db2.gz FMYULOHNAWIHDA-MRVPVSSYSA-N -1 3 249.270 0.512 20 0 BCADHM Cc1ccc([O-])c(NC(=O)CN(C)C)n1 ZINC000273456161 386003565 /nfs/dbraw/zinc/00/35/65/386003565.db2.gz IABUPMPELNJMOJ-UHFFFAOYSA-N -1 3 209.249 0.596 20 0 BCADHM COC(=O)C(C)(C)CCNC(=O)c1c[n-]nn1 ZINC000286593518 386055880 /nfs/dbraw/zinc/05/58/80/386055880.db2.gz XHCMGSRTWDHXDT-UHFFFAOYSA-N -1 3 240.263 0.124 20 0 BCADHM COC(=O)C(C)(C)CCNC(=O)c1cnn[n-]1 ZINC000286593518 386055885 /nfs/dbraw/zinc/05/58/85/386055885.db2.gz XHCMGSRTWDHXDT-UHFFFAOYSA-N -1 3 240.263 0.124 20 0 BCADHM COC(=O)C(C)(C)CCNC(=O)c1cn[n-]n1 ZINC000286593518 386055891 /nfs/dbraw/zinc/05/58/91/386055891.db2.gz XHCMGSRTWDHXDT-UHFFFAOYSA-N -1 3 240.263 0.124 20 0 BCADHM Cc1ccc([O-])c(NC(=O)CCNC(N)=O)n1 ZINC000273584536 386014857 /nfs/dbraw/zinc/01/48/57/386014857.db2.gz ZPUAUYZCIYACNF-UHFFFAOYSA-N -1 3 238.247 0.093 20 0 BCADHM C[C@H]1C[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000334435378 386057721 /nfs/dbraw/zinc/05/77/21/386057721.db2.gz ZFXHBCFKWZTQRB-YUMQZZPRSA-N -1 3 210.281 0.339 20 0 BCADHM O=c1[n-]nc(CN2C[C@@H](F)C[C@@H]2CO)s1 ZINC000367452388 386076960 /nfs/dbraw/zinc/07/69/60/386076960.db2.gz UKORXDNWUPOMFA-NTSWFWBYSA-N -1 3 233.268 0.148 20 0 BCADHM CN(C)Cc1ccccc1CNC(=O)C(=O)[O-] ZINC000274193128 386081571 /nfs/dbraw/zinc/08/15/71/386081571.db2.gz RLDMHCXBVXSMDR-UHFFFAOYSA-N -1 3 236.271 0.449 20 0 BCADHM CCS(=O)(=O)[N-]c1cnc(C)nc1 ZINC000274749910 386147267 /nfs/dbraw/zinc/14/72/67/386147267.db2.gz NSUMPHCGIAOZRH-UHFFFAOYSA-N -1 3 201.251 0.547 20 0 BCADHM Cc1cc(C(=O)N[C@@H](C)CF)[n-]c(=O)n1 ZINC000288058267 386163319 /nfs/dbraw/zinc/16/33/19/386163319.db2.gz DKQWNCXPPHGJRN-LURJTMIESA-N -1 3 213.212 0.578 20 0 BCADHM CCO[N-]C(=O)CCSCC(=O)OC ZINC000263767382 386175793 /nfs/dbraw/zinc/17/57/93/386175793.db2.gz LFDHSTWCRLNKKP-UHFFFAOYSA-N -1 3 221.278 0.350 20 0 BCADHM CO[C@@H](C)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000224116472 386127690 /nfs/dbraw/zinc/12/76/90/386127690.db2.gz VZSQOSHWHBPYNO-ZETCQYMHSA-N -1 3 248.279 0.534 20 0 BCADHM CC[C@@H](N=c1ncnc2[nH][n-]cc1-2)C(C)(C)O ZINC000338793453 386141436 /nfs/dbraw/zinc/14/14/36/386141436.db2.gz VCKCTJDQOSSLMD-MRVPVSSYSA-N -1 3 235.291 0.688 20 0 BCADHM Oc1[n-]c(N[C@@H]2CCCC[C@@H]2O)nc2nncc1-2 ZINC000274712310 386142275 /nfs/dbraw/zinc/14/22/75/386142275.db2.gz YFLQLPSHLJMQBE-SFYZADRCSA-N -1 3 249.274 0.774 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)[C@@H]1CCCOC1 ZINC000355568893 386207607 /nfs/dbraw/zinc/20/76/07/386207607.db2.gz SIAKUQWSGHYHMY-RKDXNWHRSA-N -1 3 247.302 0.953 20 0 BCADHM O=S(=O)([N-][C@@H]1CCC[C@H]1O)c1ccco1 ZINC000275437276 386209983 /nfs/dbraw/zinc/20/99/83/386209983.db2.gz GLJCOQYQMPTHMC-HTQZYQBOSA-N -1 3 231.273 0.471 20 0 BCADHM C[C@@H](CO)CCC[N-]S(=O)(=O)c1ccco1 ZINC000275533803 386220089 /nfs/dbraw/zinc/22/00/89/386220089.db2.gz XVABPWZGRHKLGA-SECBINFHSA-N -1 3 247.316 0.967 20 0 BCADHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000125099599 386221532 /nfs/dbraw/zinc/22/15/32/386221532.db2.gz IYZKVCBTXQWTGF-RQJHMYQMSA-N -1 3 215.278 0.344 20 0 BCADHM CC(C)C1([N-]S(=O)(=O)c2ccn(C)n2)CC1 ZINC000335395622 386240835 /nfs/dbraw/zinc/24/08/35/386240835.db2.gz CCDWSLGIGMCBKP-UHFFFAOYSA-N -1 3 243.332 0.887 20 0 BCADHM CS(=O)(=O)[N-][C@@H]1COc2ccccc2[C@@H]1O ZINC000288415770 386195053 /nfs/dbraw/zinc/19/50/53/386195053.db2.gz NZPHZWRDLRSHAB-SCZZXKLOSA-N -1 3 243.284 0.030 20 0 BCADHM Cc1ccc([O-])c(CN(C)[C@H](C)CO)n1 ZINC000289385067 386295173 /nfs/dbraw/zinc/29/51/73/386295173.db2.gz DAQPLVJNJOBHRS-SECBINFHSA-N -1 3 210.277 0.908 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCCO1 ZINC000180897651 386305420 /nfs/dbraw/zinc/30/54/20/386305420.db2.gz GCLHARVCPUJVOG-UHFFFAOYSA-N -1 3 218.216 0.735 20 0 BCADHM C[C@@H](C(=O)[N-]C1=NCCS1)n1cccn1 ZINC000298236825 386310504 /nfs/dbraw/zinc/31/05/04/386310504.db2.gz HULNTAVACQSLOG-ZETCQYMHSA-N -1 3 224.289 0.663 20 0 BCADHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000289485948 386313307 /nfs/dbraw/zinc/31/33/07/386313307.db2.gz IRBBVUZKFPYZLN-SFYZADRCSA-N -1 3 247.320 0.122 20 0 BCADHM CC(F)(F)C(=O)[N-]CC(=O)NCC(F)F ZINC000289147990 386266935 /nfs/dbraw/zinc/26/69/35/386266935.db2.gz HJFUUIMIUPBWNI-UHFFFAOYSA-N -1 3 230.161 0.139 20 0 BCADHM CC/C=C(\C)C(=O)Nc1[n-]nnc1C(=O)NC ZINC000297657369 386271022 /nfs/dbraw/zinc/27/10/22/386271022.db2.gz FQLHEYRFQVHEFX-AATRIKPKSA-N -1 3 237.263 0.459 20 0 BCADHM CCC=C(C)C(=O)Nc1nn[n-]c1C(=O)NC ZINC000297657369 386271029 /nfs/dbraw/zinc/27/10/29/386271029.db2.gz FQLHEYRFQVHEFX-AATRIKPKSA-N -1 3 237.263 0.459 20 0 BCADHM CCC=C(C)C(=O)Nc1n[n-]nc1C(=O)NC ZINC000297657369 386271034 /nfs/dbraw/zinc/27/10/34/386271034.db2.gz FQLHEYRFQVHEFX-AATRIKPKSA-N -1 3 237.263 0.459 20 0 BCADHM COc1cc(C(=O)N[C@@H]2CCOC2)ccc1[O-] ZINC000347239677 386274542 /nfs/dbraw/zinc/27/45/42/386274542.db2.gz SPWGMDKPPKFKRL-SECBINFHSA-N -1 3 237.255 0.920 20 0 BCADHM CC(C)N1C(=O)C[C@@H]([N-]C(=O)C(C)(F)F)C1=O ZINC000289269943 386280168 /nfs/dbraw/zinc/28/01/68/386280168.db2.gz REQVCNSXHKVBRD-ZCFIWIBFSA-N -1 3 248.229 0.294 20 0 BCADHM Cn1cc(C(=O)N[C@@H]2CC=CCC2)c(=O)[n-]c1=O ZINC000265469485 386340712 /nfs/dbraw/zinc/34/07/12/386340712.db2.gz WXECSVYZLRUFPX-MRVPVSSYSA-N -1 3 249.270 0.324 20 0 BCADHM CC1(C)SC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000276529806 386340715 /nfs/dbraw/zinc/34/07/15/386340715.db2.gz CYGGORDWSUFGMP-LURJTMIESA-N -1 3 212.278 0.429 20 0 BCADHM CC1(C)SC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000276529806 386340723 /nfs/dbraw/zinc/34/07/23/386340723.db2.gz CYGGORDWSUFGMP-LURJTMIESA-N -1 3 212.278 0.429 20 0 BCADHM CC1(C)SC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000276529806 386340727 /nfs/dbraw/zinc/34/07/27/386340727.db2.gz CYGGORDWSUFGMP-LURJTMIESA-N -1 3 212.278 0.429 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)CC2CC2)n1 ZINC000265590652 386350132 /nfs/dbraw/zinc/35/01/32/386350132.db2.gz JSGORVRPFKWYCB-UHFFFAOYSA-N -1 3 238.247 0.259 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)CC2CC2)[n-]1 ZINC000265590652 386350137 /nfs/dbraw/zinc/35/01/37/386350137.db2.gz JSGORVRPFKWYCB-UHFFFAOYSA-N -1 3 238.247 0.259 20 0 BCADHM COC(=O)Cc1nc(NC(=O)CC2CC2)n[n-]1 ZINC000265590652 386350144 /nfs/dbraw/zinc/35/01/44/386350144.db2.gz JSGORVRPFKWYCB-UHFFFAOYSA-N -1 3 238.247 0.259 20 0 BCADHM O=C(c1ccc(F)cc1[O-])N1CCNCC1 ZINC000226669861 386360495 /nfs/dbraw/zinc/36/04/95/386360495.db2.gz ZTMHIVSWKXGUQW-UHFFFAOYSA-N -1 3 224.235 0.577 20 0 BCADHM CCC[C@@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000347387359 386375547 /nfs/dbraw/zinc/37/55/47/386375547.db2.gz BNKWTXLXJBUMFU-MRVPVSSYSA-N -1 3 212.297 0.729 20 0 BCADHM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)C1CC1 ZINC000416575644 386331548 /nfs/dbraw/zinc/33/15/48/386331548.db2.gz BKKGVTVVAAGXMX-VIFPVBQESA-N -1 3 247.316 0.410 20 0 BCADHM CC[C@@H](C[N-]S(=O)(=O)c1ccco1)OC ZINC000289599054 386331655 /nfs/dbraw/zinc/33/16/55/386331655.db2.gz RMRDRWRBQSYIDQ-QMMMGPOBSA-N -1 3 233.289 0.983 20 0 BCADHM C[C@@H](C1CCC1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000347542452 386446537 /nfs/dbraw/zinc/44/65/37/386446537.db2.gz GOXNWKOPSKAIOX-QMMMGPOBSA-N -1 3 224.308 0.729 20 0 BCADHM Cn1cc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)nn1 ZINC000290527529 386449127 /nfs/dbraw/zinc/44/91/27/386449127.db2.gz QMAVSBATNIBNEH-UHFFFAOYSA-N -1 3 247.262 0.453 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@H](O)C[C@@H]2C)n1 ZINC000336720095 386450613 /nfs/dbraw/zinc/45/06/13/386450613.db2.gz YAOFEFSUYGOJTP-WCBMZHEXSA-N -1 3 237.303 0.700 20 0 BCADHM C=Cn1cc(CN[C@]2(C(=O)[O-])CCOC2)cn1 ZINC000417566074 386396801 /nfs/dbraw/zinc/39/68/01/386396801.db2.gz LSMJHMPFWQACBP-LLVKDONJSA-N -1 3 237.259 0.317 20 0 BCADHM CO[C@H](C(=O)Nc1nnc(SC)[n-]1)C1CC1 ZINC000298904619 386397963 /nfs/dbraw/zinc/39/79/63/386397963.db2.gz NZPAYDVNTDFVRX-LURJTMIESA-N -1 3 242.304 0.890 20 0 BCADHM CO[C@H](C(=O)Nc1nc(SC)n[n-]1)C1CC1 ZINC000298904619 386397971 /nfs/dbraw/zinc/39/79/71/386397971.db2.gz NZPAYDVNTDFVRX-LURJTMIESA-N -1 3 242.304 0.890 20 0 BCADHM CO[C@H](C(=O)Nc1n[n-]c(SC)n1)C1CC1 ZINC000298904619 386397978 /nfs/dbraw/zinc/39/79/78/386397978.db2.gz NZPAYDVNTDFVRX-LURJTMIESA-N -1 3 242.304 0.890 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Cc1ccc(O)cc1 ZINC000298978147 386401996 /nfs/dbraw/zinc/40/19/96/386401996.db2.gz PCUMKYJHDGHUDB-UHFFFAOYSA-N -1 3 239.271 0.753 20 0 BCADHM Cc1ccncc1S(=O)(=O)[N-]CC(F)F ZINC000336272596 386408997 /nfs/dbraw/zinc/40/89/97/386408997.db2.gz UXAZDBNQHATLSM-UHFFFAOYSA-N -1 3 236.243 0.933 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000290558388 386451748 /nfs/dbraw/zinc/45/17/48/386451748.db2.gz RMOKAJSGMWFCAO-UHFFFAOYSA-N -1 3 244.320 0.516 20 0 BCADHM C[C@H](O)CCCN=c1ncnc2[nH][n-]cc1-2 ZINC000336777342 386419289 /nfs/dbraw/zinc/41/92/89/386419289.db2.gz IELRFWGLELKJBN-ZETCQYMHSA-N -1 3 221.264 0.299 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@H](O)C1 ZINC000061704215 386528663 /nfs/dbraw/zinc/52/86/63/386528663.db2.gz YCOUUQBNLDVWDY-QMMMGPOBSA-N -1 3 207.229 0.599 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC[C@@H](O)C1 ZINC000061704326 386528867 /nfs/dbraw/zinc/52/88/67/386528867.db2.gz QZIOXWLGKFUAEA-SNVBAGLBSA-N -1 3 207.229 0.599 20 0 BCADHM CO[C@H]1COC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000290862819 386480775 /nfs/dbraw/zinc/48/07/75/386480775.db2.gz DHEMXYMISIGCHJ-ONGXEEELSA-N -1 3 237.255 0.536 20 0 BCADHM O=C(Cc1cncc([O-])c1)N(CCO)C1CC1 ZINC000519566483 386489028 /nfs/dbraw/zinc/48/90/28/386489028.db2.gz ZVLKHQQYYCVVIK-UHFFFAOYSA-N -1 3 236.271 0.313 20 0 BCADHM COCSc1nnc2[n-]c(=O)c(C)nn21 ZINC000267114196 386496692 /nfs/dbraw/zinc/49/66/92/386496692.db2.gz BQTSXDGFMRMLOA-UHFFFAOYSA-N -1 3 227.249 0.229 20 0 BCADHM COC[C@H](C)N(C)C(=O)Cc1cncc([O-])c1 ZINC000519619753 386508500 /nfs/dbraw/zinc/50/85/00/386508500.db2.gz VWGRCNJPUJEQFR-VIFPVBQESA-N -1 3 238.287 0.823 20 0 BCADHM COC(=O)[C@@H](C)C[N-]C(=O)C(F)(F)C(F)F ZINC000267239440 386516579 /nfs/dbraw/zinc/51/65/79/386516579.db2.gz ILUBPDNTWNLQPQ-BYPYZUCNSA-N -1 3 245.172 0.812 20 0 BCADHM CC1(C)CC[C@H](CNC(=O)c2c[n-]nn2)O1 ZINC000187345427 386522636 /nfs/dbraw/zinc/52/26/36/386522636.db2.gz NAVBUFZUDDIOEQ-SSDOTTSWSA-N -1 3 224.264 0.492 20 0 BCADHM CC1(C)CC[C@H](CNC(=O)c2cnn[n-]2)O1 ZINC000187345427 386522649 /nfs/dbraw/zinc/52/26/49/386522649.db2.gz NAVBUFZUDDIOEQ-SSDOTTSWSA-N -1 3 224.264 0.492 20 0 BCADHM CC1(C)CC[C@H](CNC(=O)c2cn[n-]n2)O1 ZINC000187345427 386522654 /nfs/dbraw/zinc/52/26/54/386522654.db2.gz NAVBUFZUDDIOEQ-SSDOTTSWSA-N -1 3 224.264 0.492 20 0 BCADHM C[C@H]1CC2(CCC2)CN1Cc1nc(=O)n(C)[n-]1 ZINC000335452851 386526090 /nfs/dbraw/zinc/52/60/90/386526090.db2.gz ZDQQRDLZORNKGF-VIFPVBQESA-N -1 3 236.319 0.873 20 0 BCADHM CO[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@H](C)C1 ZINC000408426574 386575351 /nfs/dbraw/zinc/57/53/51/386575351.db2.gz UWYACJLGYBPMPM-RKDXNWHRSA-N -1 3 240.307 0.108 20 0 BCADHM CCO[C@@H](C)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267803100 386587223 /nfs/dbraw/zinc/58/72/23/386587223.db2.gz BIYZYCHEAUHNKG-LURJTMIESA-N -1 3 241.247 0.560 20 0 BCADHM C[C@]1(NC(=O)c2cccc3nn[n-]c32)CCOC1 ZINC000525870136 386593701 /nfs/dbraw/zinc/59/37/01/386593701.db2.gz RBKWUHIHGTXULD-LBPRGKRZSA-N -1 3 246.270 0.867 20 0 BCADHM C[C@]1(NC(=O)c2cccc3[n-]nnc32)CCOC1 ZINC000525870136 386593705 /nfs/dbraw/zinc/59/37/05/386593705.db2.gz RBKWUHIHGTXULD-LBPRGKRZSA-N -1 3 246.270 0.867 20 0 BCADHM C[C@]1(NC(=O)c2cccc3n[n-]nc32)CCOC1 ZINC000525870136 386593710 /nfs/dbraw/zinc/59/37/10/386593710.db2.gz RBKWUHIHGTXULD-LBPRGKRZSA-N -1 3 246.270 0.867 20 0 BCADHM C[C@@]1(NC(=O)c2ccccc2[O-])CCOC1=O ZINC000291367331 386537170 /nfs/dbraw/zinc/53/71/70/386537170.db2.gz CMIPFOAYOJKGKK-GFCCVEGCSA-N -1 3 235.239 0.828 20 0 BCADHM CC(=O)NC1CN(Cc2cc([O-])cc(F)c2)C1 ZINC000291509597 386554887 /nfs/dbraw/zinc/55/48/87/386554887.db2.gz WZUUKCOWOWTVIY-UHFFFAOYSA-N -1 3 238.262 0.852 20 0 BCADHM COc1ccc(C[N-]C(=O)C(F)F)c(OC)n1 ZINC000292238508 386638736 /nfs/dbraw/zinc/63/87/36/386638736.db2.gz NPZQRHCBBABNON-UHFFFAOYSA-N -1 3 246.213 0.980 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H](F)C1)c1c[n-]nn1 ZINC000335507741 386640631 /nfs/dbraw/zinc/64/06/31/386640631.db2.gz AKYLUSVOWUKFDO-RNFRBKRXSA-N -1 3 212.228 0.815 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H](F)C1)c1cnn[n-]1 ZINC000335507741 386640635 /nfs/dbraw/zinc/64/06/35/386640635.db2.gz AKYLUSVOWUKFDO-RNFRBKRXSA-N -1 3 212.228 0.815 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H](F)C1)c1cn[n-]n1 ZINC000335507741 386640639 /nfs/dbraw/zinc/64/06/39/386640639.db2.gz AKYLUSVOWUKFDO-RNFRBKRXSA-N -1 3 212.228 0.815 20 0 BCADHM Cn1[n-]c([C@@H]2CCCN2Cc2ccon2)nc1=N ZINC000328877680 386642019 /nfs/dbraw/zinc/64/20/19/386642019.db2.gz IREUCLYYFUVVDC-VIFPVBQESA-N -1 3 248.290 0.553 20 0 BCADHM Cc1ncc(CNC(=O)N[C@H]2CC23CC3)c(=O)[n-]1 ZINC000644974943 386648599 /nfs/dbraw/zinc/64/85/99/386648599.db2.gz RTCIIUBFINBVJR-VIFPVBQESA-N -1 3 248.286 0.842 20 0 BCADHM O=S(=O)([N-]Cc1noc(C2CC2)n1)C1CC1 ZINC000328906617 386651307 /nfs/dbraw/zinc/65/13/07/386651307.db2.gz BONKFHYVUIPDGF-UHFFFAOYSA-N -1 3 243.288 0.529 20 0 BCADHM CO[C@H]1CCCC[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000336759154 386653488 /nfs/dbraw/zinc/65/34/88/386653488.db2.gz ISZHZEUSNYGRRY-YUMQZZPRSA-N -1 3 226.280 0.558 20 0 BCADHM CN(c1nc2[nH][n-]cc-2c(=N)n1)[C@@H]1CCC[C@@H]1O ZINC000343246258 386601688 /nfs/dbraw/zinc/60/16/88/386601688.db2.gz DQRJNFYAKHDXPB-SFYZADRCSA-N -1 3 248.290 0.067 20 0 BCADHM COc1cc(C(=O)NCCCCO)ccc1[O-] ZINC000279329296 386667597 /nfs/dbraw/zinc/66/75/97/386667597.db2.gz QAEDDGJOYDJXFA-UHFFFAOYSA-N -1 3 239.271 0.903 20 0 BCADHM COCC[C@H](C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268624805 386670616 /nfs/dbraw/zinc/67/06/16/386670616.db2.gz DGBCXKXBOWVHAJ-ZETCQYMHSA-N -1 3 239.275 0.645 20 0 BCADHM CSC[C@@H](C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268716403 386686042 /nfs/dbraw/zinc/68/60/42/386686042.db2.gz DZZWTFIODXGYKV-SSDOTTSWSA-N -1 3 241.316 0.972 20 0 BCADHM COc1nnc(NC(=O)c2ccc(C(C)=O)[nH]2)[n-]1 ZINC000344837063 386757312 /nfs/dbraw/zinc/75/73/12/386757312.db2.gz GGGZIINFWZNPKJ-UHFFFAOYSA-N -1 3 249.230 0.596 20 0 BCADHM COc1nc(NC(=O)c2ccc(C(C)=O)[nH]2)n[n-]1 ZINC000344837063 386757316 /nfs/dbraw/zinc/75/73/16/386757316.db2.gz GGGZIINFWZNPKJ-UHFFFAOYSA-N -1 3 249.230 0.596 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccc(C(C)=O)[nH]2)n1 ZINC000344837063 386757320 /nfs/dbraw/zinc/75/73/20/386757320.db2.gz GGGZIINFWZNPKJ-UHFFFAOYSA-N -1 3 249.230 0.596 20 0 BCADHM CSCCN(C)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000336665094 386768589 /nfs/dbraw/zinc/76/85/89/386768589.db2.gz LKVJVRPMIAIMLQ-UHFFFAOYSA-N -1 3 238.320 0.516 20 0 BCADHM COc1nc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)n[n-]1 ZINC000357501342 386794048 /nfs/dbraw/zinc/79/40/48/386794048.db2.gz PCSMHEKQFUBMMD-FSDSQADBSA-N -1 3 238.247 0.177 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)[n-]1 ZINC000357501342 386794056 /nfs/dbraw/zinc/79/40/56/386794056.db2.gz PCSMHEKQFUBMMD-FSDSQADBSA-N -1 3 238.247 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)n1 ZINC000357501342 386794065 /nfs/dbraw/zinc/79/40/65/386794065.db2.gz PCSMHEKQFUBMMD-FSDSQADBSA-N -1 3 238.247 0.177 20 0 BCADHM CC(C)[C@@H]([N-]C(=O)C(C)(F)F)C(N)=O ZINC000293248864 386794573 /nfs/dbraw/zinc/79/45/73/386794573.db2.gz CWYLKGRBGIQNEG-RXMQYKEDSA-N -1 3 208.208 0.268 20 0 BCADHM CSCCO[N-]C(=O)[C@@H]1C[C@H]1c1nnc[nH]1 ZINC000366539991 386775601 /nfs/dbraw/zinc/77/56/01/386775601.db2.gz MECUZIGNTOCWDT-RNFRBKRXSA-N -1 3 242.304 0.319 20 0 BCADHM CC(C)(C)[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC000336761867 386787156 /nfs/dbraw/zinc/78/71/56/386787156.db2.gz NRVSZNNRWRDIFZ-LURJTMIESA-N -1 3 214.269 0.007 20 0 BCADHM C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1ccccn1 ZINC000340858992 386789288 /nfs/dbraw/zinc/78/92/88/386789288.db2.gz ZYMIJHMTXNWQRD-BDAKNGLRSA-N -1 3 244.316 0.519 20 0 BCADHM CC[C@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@@H]1O ZINC000329981316 386819790 /nfs/dbraw/zinc/81/97/90/386819790.db2.gz NACFHUPVRVRKES-XPUUQOCRSA-N -1 3 242.300 0.692 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)CO)o1 ZINC000330639837 386808691 /nfs/dbraw/zinc/80/86/91/386808691.db2.gz CAAQPXNOYXHNIO-ZETCQYMHSA-N -1 3 233.289 0.495 20 0 BCADHM CC(=O)NCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330648723 386810671 /nfs/dbraw/zinc/81/06/71/386810671.db2.gz ITXAWHUTOQBCSZ-UHFFFAOYSA-N -1 3 246.288 0.002 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)CCO)o1 ZINC000330667481 386816113 /nfs/dbraw/zinc/81/61/13/386816113.db2.gz YNUGYMGBEBWFEE-MRVPVSSYSA-N -1 3 247.316 0.885 20 0 BCADHM Cn1cc(C(=O)N2CCC23CCC3)c(=O)[n-]c1=O ZINC000330078146 386827873 /nfs/dbraw/zinc/82/78/73/386827873.db2.gz HWLGGDFRQYOMFQ-UHFFFAOYSA-N -1 3 249.270 0.255 20 0 BCADHM CC(C)(C)CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000330694565 386832922 /nfs/dbraw/zinc/83/29/22/386832922.db2.gz ILZUPYPGAPRINW-UHFFFAOYSA-N -1 3 241.291 0.091 20 0 BCADHM O=C(NC[C@H]1CCCO1)c1cc(=O)[n-]cn1 ZINC000585356347 386845367 /nfs/dbraw/zinc/84/53/67/386845367.db2.gz HVGCRKRBUHLXPU-SSDOTTSWSA-N -1 3 223.232 0.091 20 0 BCADHM O=C(NCCF)c1ccc2n[n-]nc2c1 ZINC000335741892 386859273 /nfs/dbraw/zinc/85/92/73/386859273.db2.gz BSVSJXFBPDDNFN-UHFFFAOYSA-N -1 3 208.196 0.657 20 0 BCADHM O=C(CCc1ccncn1)[N-]OCC1CC1 ZINC000293782684 386878890 /nfs/dbraw/zinc/87/88/90/386878890.db2.gz NVRFRLBQHNIKSE-UHFFFAOYSA-N -1 3 221.260 0.867 20 0 BCADHM C[C@H](CC1CC1)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000331682586 386881339 /nfs/dbraw/zinc/88/13/39/386881339.db2.gz QHMUXBZQYWMIGC-MRVPVSSYSA-N -1 3 243.332 0.887 20 0 BCADHM COC(=O)c1ccc(C(=O)Nc2cn(C)nn2)[n-]1 ZINC000358044875 386882806 /nfs/dbraw/zinc/88/28/06/386882806.db2.gz IRHFYTDETFYYGK-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM CCN(C[C@@H](C)O)C(=O)c1csc(=O)[n-]1 ZINC000341346902 386886805 /nfs/dbraw/zinc/88/68/05/386886805.db2.gz RXMLMFIUPOFZSO-ZCFIWIBFSA-N -1 3 230.289 0.692 20 0 BCADHM Cn1[n-]c(CN2C[C@H]3CCCC[C@@H]3C2)nc1=O ZINC000335763136 386902870 /nfs/dbraw/zinc/90/28/70/386902870.db2.gz RATVCTVVQMRGEM-NXEZZACHSA-N -1 3 236.319 0.730 20 0 BCADHM CO[C@@H](C[N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000293922366 386903690 /nfs/dbraw/zinc/90/36/90/386903690.db2.gz XZQBSSNHQSGELS-VIFPVBQESA-N -1 3 245.300 0.983 20 0 BCADHM CCN(CC)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000330902910 386920546 /nfs/dbraw/zinc/92/05/46/386920546.db2.gz BZSNXONUWQPHMY-UHFFFAOYSA-N -1 3 238.291 0.730 20 0 BCADHM CC(C)c1noc(=N[C@@H](C)CN(C)C)[n-]1 ZINC000336762407 386934138 /nfs/dbraw/zinc/93/41/38/386934138.db2.gz OCUSPKTWTBATNZ-QMMMGPOBSA-N -1 3 212.297 0.977 20 0 BCADHM O=S(=O)(CC[C@@H]1CCCO1)c1ncn[n-]1 ZINC000330982734 386940774 /nfs/dbraw/zinc/94/07/74/386940774.db2.gz VUJYVIPFJAXWOY-ZETCQYMHSA-N -1 3 231.277 0.148 20 0 BCADHM O=S(=O)(CC[C@@H]1CCCO1)c1nnc[n-]1 ZINC000330982734 386940777 /nfs/dbraw/zinc/94/07/77/386940777.db2.gz VUJYVIPFJAXWOY-ZETCQYMHSA-N -1 3 231.277 0.148 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CCO[C@@H]3C[C@@H]32)n1 ZINC000368325894 386960457 /nfs/dbraw/zinc/96/04/57/386960457.db2.gz BCGKCGIQDAANGU-VHSXEESVSA-N -1 3 235.287 0.718 20 0 BCADHM Cc1noc(C[N-]S(=O)(=O)CC(C)(C)C)n1 ZINC000331269684 386991732 /nfs/dbraw/zinc/99/17/32/386991732.db2.gz KBMXZOADSFHNJE-UHFFFAOYSA-N -1 3 247.320 0.844 20 0 BCADHM CCN(C)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000332709901 387003887 /nfs/dbraw/zinc/00/38/87/387003887.db2.gz YLCZJCYLZCBDDH-UHFFFAOYSA-N -1 3 236.275 0.612 20 0 BCADHM OC[C@@H]1C=C[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000359033026 387047673 /nfs/dbraw/zinc/04/76/73/387047673.db2.gz TZBBEHDXOYTZEM-SFYZADRCSA-N -1 3 231.259 0.075 20 0 BCADHM COc1nc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n[n-]1 ZINC000333685491 387049799 /nfs/dbraw/zinc/04/97/99/387049799.db2.gz BDENZNYMFNCIHN-QYNIQEEDSA-N -1 3 238.247 0.319 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[n-]1 ZINC000333685491 387049803 /nfs/dbraw/zinc/04/98/03/387049803.db2.gz BDENZNYMFNCIHN-QYNIQEEDSA-N -1 3 238.247 0.319 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC000333685491 387049804 /nfs/dbraw/zinc/04/98/04/387049804.db2.gz BDENZNYMFNCIHN-QYNIQEEDSA-N -1 3 238.247 0.319 20 0 BCADHM CC[C@@H](C)[C@H](O)CNC(=O)c1csc(=O)[n-]1 ZINC000334052244 387054016 /nfs/dbraw/zinc/05/40/16/387054016.db2.gz BDCXXJYGCDGHML-HTRCEHHLSA-N -1 3 244.316 0.986 20 0 BCADHM Cc1nc(C)c(CCC(=O)NC(C)C)c(=O)[n-]1 ZINC000070248083 387054966 /nfs/dbraw/zinc/05/49/66/387054966.db2.gz OVZPQCNQLXZPIT-UHFFFAOYSA-N -1 3 237.303 0.844 20 0 BCADHM CC(C)[C@H]1OCC[C@H]1CNC(=O)c1c[n-]nn1 ZINC000334080534 387055005 /nfs/dbraw/zinc/05/50/05/387055005.db2.gz NCZQWBYTEHRIFU-WCBMZHEXSA-N -1 3 238.291 0.596 20 0 BCADHM CC(C)[C@H]1OCC[C@H]1CNC(=O)c1cnn[n-]1 ZINC000334080534 387055007 /nfs/dbraw/zinc/05/50/07/387055007.db2.gz NCZQWBYTEHRIFU-WCBMZHEXSA-N -1 3 238.291 0.596 20 0 BCADHM CC(C)[C@H]1OCC[C@H]1CNC(=O)c1cn[n-]n1 ZINC000334080534 387055012 /nfs/dbraw/zinc/05/50/12/387055012.db2.gz NCZQWBYTEHRIFU-WCBMZHEXSA-N -1 3 238.291 0.596 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)CO)o1 ZINC000330639836 387058955 /nfs/dbraw/zinc/05/89/55/387058955.db2.gz CAAQPXNOYXHNIO-SSDOTTSWSA-N -1 3 233.289 0.495 20 0 BCADHM CC[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CCCO1 ZINC000333124577 387018173 /nfs/dbraw/zinc/01/81/73/387018173.db2.gz CQWHAYBPCNOPQR-VIFPVBQESA-N -1 3 240.307 0.109 20 0 BCADHM [O-]c1cccnc1CN=c1ncnc2[nH][nH]cc1-2 ZINC000358844831 387022132 /nfs/dbraw/zinc/02/21/32/387022132.db2.gz GTSDDADUSIZJAZ-UHFFFAOYSA-N -1 3 242.242 0.439 20 0 BCADHM Oc1cccnc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000358844831 387022138 /nfs/dbraw/zinc/02/21/38/387022138.db2.gz GTSDDADUSIZJAZ-UHFFFAOYSA-N -1 3 242.242 0.439 20 0 BCADHM CCCC[C@H]([N-]S(=O)(=O)C1CC1)C(=O)OC ZINC000186126999 387071278 /nfs/dbraw/zinc/07/12/78/387071278.db2.gz ZZWFHORDNVRQGE-VIFPVBQESA-N -1 3 249.332 0.800 20 0 BCADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1F)C1COC1 ZINC000333905410 387074701 /nfs/dbraw/zinc/07/47/01/387074701.db2.gz JRQWGSULLJCNMH-RKDXNWHRSA-N -1 3 237.296 0.585 20 0 BCADHM O=C(NC[C@@H]1CCCC(=O)N1)c1cccc([O-])c1 ZINC000336252554 387084434 /nfs/dbraw/zinc/08/44/34/387084434.db2.gz SFOKQCIGTKCIIC-JTQLQIEISA-N -1 3 248.282 0.791 20 0 BCADHM CCOCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000068062780 387101152 /nfs/dbraw/zinc/10/11/52/387101152.db2.gz QYVLSKRCZSYUJD-UHFFFAOYSA-N -1 3 238.169 0.799 20 0 BCADHM CCOCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000068062780 387101154 /nfs/dbraw/zinc/10/11/54/387101154.db2.gz QYVLSKRCZSYUJD-UHFFFAOYSA-N -1 3 238.169 0.799 20 0 BCADHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000228562687 387102250 /nfs/dbraw/zinc/10/22/50/387102250.db2.gz WCIIPUCQDIOUCE-SECBINFHSA-N -1 3 247.320 0.239 20 0 BCADHM C[C@H](Cn1ccnc1)N=c1ncnc2[nH][n-]cc1-2 ZINC000359449851 387104986 /nfs/dbraw/zinc/10/49/86/387104986.db2.gz LDECVYJPPBCQSU-MRVPVSSYSA-N -1 3 243.274 0.424 20 0 BCADHM Cc1cc(NC([O-])=C(N)C(F)(F)F)ccn1 ZINC000336335089 387161131 /nfs/dbraw/zinc/16/11/31/387161131.db2.gz OOIZKBLDGYRDDI-SSDOTTSWSA-N -1 3 233.193 0.640 20 0 BCADHM CO[C@@H](C)CCNC(=O)Cc1cncc([O-])c1 ZINC000571775964 387169720 /nfs/dbraw/zinc/16/97/20/387169720.db2.gz NFEBCOBFGSBJKG-VIFPVBQESA-N -1 3 238.287 0.871 20 0 BCADHM O=S(=O)([N-]CC(F)F)N1CCCCC1 ZINC000336355700 387185297 /nfs/dbraw/zinc/18/52/97/387185297.db2.gz DHYRVZSDLACFMR-UHFFFAOYSA-N -1 3 228.264 0.572 20 0 BCADHM CCc1ccc([O-])c(C(=O)NC(CO)CO)c1 ZINC000119453036 387133297 /nfs/dbraw/zinc/13/32/97/387133297.db2.gz SYNAWDXYKYHONM-UHFFFAOYSA-N -1 3 239.271 0.038 20 0 BCADHM CC[C@H](CO)[N-]S(=O)(=O)c1ccccc1F ZINC000035610442 387136455 /nfs/dbraw/zinc/13/64/55/387136455.db2.gz WGXMVLYGAKYBCX-MRVPVSSYSA-N -1 3 247.291 0.875 20 0 BCADHM CCO[N-]C(=O)[C@]1(N(C)C)CCCSC1 ZINC000367147491 387141027 /nfs/dbraw/zinc/14/10/27/387141027.db2.gz GAJVARXSRAJRFN-JTQLQIEISA-N -1 3 232.349 0.882 20 0 BCADHM COc1ccc([O-])c(C(=O)N(C)[C@@H](C)CO)c1 ZINC000093244849 387217198 /nfs/dbraw/zinc/21/71/98/387217198.db2.gz WNUCWMYQPGKMSM-QMMMGPOBSA-N -1 3 239.271 0.854 20 0 BCADHM CC[C@@H](O)C[N-]S(=O)(=O)c1cncc(F)c1 ZINC000230024704 387229996 /nfs/dbraw/zinc/22/99/96/387229996.db2.gz UKERVGPJWZDWFO-MRVPVSSYSA-N -1 3 248.279 0.270 20 0 BCADHM COC(=O)[C@H](Sc1n[n-]c(CO)n1)C(C)C ZINC000572100369 387232298 /nfs/dbraw/zinc/23/22/98/387232298.db2.gz VLTPHPYRIMEDOX-SSDOTTSWSA-N -1 3 245.304 0.587 20 0 BCADHM CSc1nnc(NC(=O)[C@@H]2CCC(=O)C2)[n-]1 ZINC000572163000 387253383 /nfs/dbraw/zinc/25/33/83/387253383.db2.gz PUSCNJGBFJSZCH-RXMQYKEDSA-N -1 3 240.288 0.834 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H]2CCC(=O)C2)n1 ZINC000572163000 387253386 /nfs/dbraw/zinc/25/33/86/387253386.db2.gz PUSCNJGBFJSZCH-RXMQYKEDSA-N -1 3 240.288 0.834 20 0 BCADHM CSc1nc(NC(=O)[C@@H]2CCC(=O)C2)n[n-]1 ZINC000572163000 387253388 /nfs/dbraw/zinc/25/33/88/387253388.db2.gz PUSCNJGBFJSZCH-RXMQYKEDSA-N -1 3 240.288 0.834 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)[C@@H]2CCOC2)n1 ZINC000120382133 387234706 /nfs/dbraw/zinc/23/47/06/387234706.db2.gz JBGKVJAFUBJNFA-SNVBAGLBSA-N -1 3 237.303 0.965 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC(n2ccnn2)C1 ZINC000371671330 387238886 /nfs/dbraw/zinc/23/88/86/387238886.db2.gz PJUOTYWEDLLDOW-UHFFFAOYSA-N -1 3 244.254 0.681 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CCCCF)c1 ZINC000360244357 387249532 /nfs/dbraw/zinc/24/95/32/387249532.db2.gz AEYAZZNHOLKORQ-UHFFFAOYSA-N -1 3 235.284 0.448 20 0 BCADHM Cc1ncc(CNC(=O)[C@]2(C)C[C@@H]2F)c(=O)[n-]1 ZINC000424756279 387314824 /nfs/dbraw/zinc/31/48/24/387314824.db2.gz GCPIUYYLESUZKD-GZMMTYOYSA-N -1 3 239.250 0.855 20 0 BCADHM Cc1c(C(=O)NCc2ncccc2[O-])nnn1C ZINC000352499634 387265885 /nfs/dbraw/zinc/26/58/85/387265885.db2.gz GSJSFSPZIQHUOJ-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM C[C@H]1C(=O)N(C)CN1C(=O)c1ccccc1[O-] ZINC000648640376 387268822 /nfs/dbraw/zinc/26/88/22/387268822.db2.gz IYKRKFSVXWOVFK-QMMMGPOBSA-N -1 3 234.255 0.652 20 0 BCADHM C[C@H](NC(N)=O)C(=O)Nc1ccccc1[O-] ZINC000301945706 387271058 /nfs/dbraw/zinc/27/10/58/387271058.db2.gz NSFGCMOUNXRSCO-LURJTMIESA-N -1 3 223.232 0.388 20 0 BCADHM COc1nc(NC(=O)[C@H](OC)C(C)C)n[n-]1 ZINC000353792333 387275016 /nfs/dbraw/zinc/27/50/16/387275016.db2.gz UDDRRQTWRCPYFV-ZCFIWIBFSA-N -1 3 228.252 0.423 20 0 BCADHM COc1nnc(NC(=O)[C@H](OC)C(C)C)[n-]1 ZINC000353792333 387275020 /nfs/dbraw/zinc/27/50/20/387275020.db2.gz UDDRRQTWRCPYFV-ZCFIWIBFSA-N -1 3 228.252 0.423 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](OC)C(C)C)n1 ZINC000353792333 387275022 /nfs/dbraw/zinc/27/50/22/387275022.db2.gz UDDRRQTWRCPYFV-ZCFIWIBFSA-N -1 3 228.252 0.423 20 0 BCADHM COC[C@@H](C)[N-]S(=O)(=O)c1cscn1 ZINC000515057272 387327345 /nfs/dbraw/zinc/32/73/45/387327345.db2.gz UQGHIEKEEZQLAY-ZCFIWIBFSA-N -1 3 236.318 0.456 20 0 BCADHM C[C@@H](CC(=O)Nc1ccncc1[O-])n1cccn1 ZINC000424762528 387353269 /nfs/dbraw/zinc/35/32/69/387353269.db2.gz ZEHAIAPWTYSZLV-VIFPVBQESA-N -1 3 246.270 0.995 20 0 BCADHM CC(C)(C)CC[C@H](NC(=O)C1(N)CC1)C(=O)[O-] ZINC000516073333 387455503 /nfs/dbraw/zinc/45/55/03/387455503.db2.gz QEULFBMWIYGHHW-QMMMGPOBSA-N -1 3 242.319 0.873 20 0 BCADHM CC[C@H]1CCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354577623 387398513 /nfs/dbraw/zinc/39/85/13/387398513.db2.gz XJQLVVGAKZEFFE-ZETCQYMHSA-N -1 3 232.291 0.953 20 0 BCADHM Cc1ccc(NC(=O)[C@@H]2COCCN2)c([O-])c1 ZINC000423709799 387401088 /nfs/dbraw/zinc/40/10/88/387401088.db2.gz OHTKMCISBLEZFQ-JTQLQIEISA-N -1 3 236.271 0.628 20 0 BCADHM O=S(=O)([N-]CCF)c1cn2c(n1)CCCC2 ZINC000373863008 387402104 /nfs/dbraw/zinc/40/21/04/387402104.db2.gz OHPOLWMQBOMUEW-UHFFFAOYSA-N -1 3 247.295 0.467 20 0 BCADHM O=C([N-]c1nncs1)c1cnn2ccncc12 ZINC000354722945 387421147 /nfs/dbraw/zinc/42/11/47/387421147.db2.gz XEDIRKLQHJDLJP-UHFFFAOYSA-N -1 3 246.255 0.833 20 0 BCADHM O=S(=O)(Cc1cccc(F)c1)c1nnc[n-]1 ZINC000086169730 387519053 /nfs/dbraw/zinc/51/90/53/387519053.db2.gz KBMBRNVZDQACEQ-UHFFFAOYSA-N -1 3 241.247 0.918 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1C[C@H](O)C2(CC2)C1 ZINC000375289670 387524702 /nfs/dbraw/zinc/52/47/02/387524702.db2.gz ZMHBVPIHZCKHLY-NSHDSACASA-N -1 3 249.266 0.695 20 0 BCADHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000580438931 387587258 /nfs/dbraw/zinc/58/72/58/387587258.db2.gz JOEYVBZMXXVFAE-SECBINFHSA-N -1 3 245.348 0.991 20 0 BCADHM Cc1ccc([O-])c(NC(=O)c2ncn(C)n2)n1 ZINC000355583316 387553661 /nfs/dbraw/zinc/55/36/61/387553661.db2.gz YNYDLBOIOPBBJM-UHFFFAOYSA-N -1 3 233.231 0.476 20 0 BCADHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CC(=O)[O-] ZINC000355727544 387572633 /nfs/dbraw/zinc/57/26/33/387572633.db2.gz BSUKTALPAOWBST-QWRGUYRKSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@@H](O)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000422138306 387576525 /nfs/dbraw/zinc/57/65/25/387576525.db2.gz ZCMXNOIOEYNQGG-SECBINFHSA-N -1 3 241.262 0.961 20 0 BCADHM Cc1nnc([N-]C(=O)c2nnn(C)c2C)s1 ZINC000356602302 387678974 /nfs/dbraw/zinc/67/89/74/387678974.db2.gz PPDHXIRRBPCTLY-UHFFFAOYSA-N -1 3 238.276 0.536 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1ccccn1)[C@H](C)O ZINC000451909635 387678928 /nfs/dbraw/zinc/67/89/28/387678928.db2.gz LLGQGSICDNAEDS-DTWKUNHWSA-N -1 3 244.316 0.519 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)N(C)C)o1 ZINC000451933194 387681945 /nfs/dbraw/zinc/68/19/45/387681945.db2.gz PSXCOOBQJWVSTK-QMMMGPOBSA-N -1 3 246.332 0.816 20 0 BCADHM CO[N-]C(=O)[C@@H]1C[C@]1(C)Br ZINC000527824546 387746030 /nfs/dbraw/zinc/74/60/30/387746030.db2.gz YMSMURUMEILWPT-NJGYIYPDSA-N -1 3 208.055 0.838 20 0 BCADHM O=S(=O)([N-]C[C@@H](O)C1CCC1)c1ccco1 ZINC000452052554 387712509 /nfs/dbraw/zinc/71/25/09/387712509.db2.gz MNLOYXCTYZKCHG-SECBINFHSA-N -1 3 245.300 0.719 20 0 BCADHM O=C(c1ccccc1[O-])N1CC(n2cncn2)C1 ZINC000377549062 387725811 /nfs/dbraw/zinc/72/58/11/387725811.db2.gz QWIUYBDYAPEMHQ-UHFFFAOYSA-N -1 3 244.254 0.681 20 0 BCADHM COC(=O)c1ccc(C(=O)Nc2cnn(C)c2)[n-]1 ZINC000431937176 387740502 /nfs/dbraw/zinc/74/05/02/387740502.db2.gz JZUZBWAOYJTNKA-UHFFFAOYSA-N -1 3 248.242 0.787 20 0 BCADHM Cc1nc(C)c(CN=c2ncnc3[nH][n-]cc2-3)o1 ZINC000425249004 387798542 /nfs/dbraw/zinc/79/85/42/387798542.db2.gz BISAWROWZFNNAU-UHFFFAOYSA-N -1 3 244.258 0.943 20 0 BCADHM COc1cc(C(=O)NC2(CO)CC2)ccc1[O-] ZINC000442821142 387846825 /nfs/dbraw/zinc/84/68/25/387846825.db2.gz MAYGDFHYTKUSRT-UHFFFAOYSA-N -1 3 237.255 0.656 20 0 BCADHM O=C(NCc1ncccc1[O-])NCC1COC1 ZINC000528308359 387899652 /nfs/dbraw/zinc/89/96/52/387899652.db2.gz SYFKUVNESBNDTK-UHFFFAOYSA-N -1 3 237.259 0.233 20 0 BCADHM CS(=O)(=O)c1nc(Cc2ccccc2)n[n-]1 ZINC000195284330 387919544 /nfs/dbraw/zinc/91/95/44/387919544.db2.gz YUEDDKQFJXEUOH-UHFFFAOYSA-N -1 3 237.284 0.799 20 0 BCADHM CS(=O)(=O)c1nnc(Cc2ccccc2)[n-]1 ZINC000195284330 387919546 /nfs/dbraw/zinc/91/95/46/387919546.db2.gz YUEDDKQFJXEUOH-UHFFFAOYSA-N -1 3 237.284 0.799 20 0 BCADHM CS(=O)(=O)CC(=O)Nc1ccccc1[O-] ZINC000243456170 387938946 /nfs/dbraw/zinc/93/89/46/387938946.db2.gz NGDVKLYEDCASRB-UHFFFAOYSA-N -1 3 229.257 0.375 20 0 BCADHM COC[C@H](O)CNC(=O)c1ccc([O-])c(C)c1 ZINC000226999155 387951570 /nfs/dbraw/zinc/95/15/70/387951570.db2.gz BXDAYSATJORMRX-SNVBAGLBSA-N -1 3 239.271 0.438 20 0 BCADHM C[C@H](O)CCS(=O)(=O)c1cccc([O-])c1 ZINC000453015430 387961758 /nfs/dbraw/zinc/96/17/58/387961758.db2.gz AKTFJVCOZVCDTA-QMMMGPOBSA-N -1 3 230.285 0.937 20 0 BCADHM CC[C@H](CCO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000159086257 387984874 /nfs/dbraw/zinc/98/48/74/387984874.db2.gz BXQCJJSVKASAFR-SECBINFHSA-N -1 3 248.286 0.849 20 0 BCADHM Cc1cc(C(=O)NCc2cnnn2C)ccc1[O-] ZINC000291895762 177795248 /nfs/dbraw/zinc/79/52/48/177795248.db2.gz YWPHHVSQZIDCSR-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CNC(=O)c1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000108453329 388023434 /nfs/dbraw/zinc/02/34/34/388023434.db2.gz FTBXANDOCOJZST-UHFFFAOYSA-N -1 3 245.242 0.417 20 0 BCADHM CNC(=O)c1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC000108453329 388023437 /nfs/dbraw/zinc/02/34/37/388023437.db2.gz FTBXANDOCOJZST-UHFFFAOYSA-N -1 3 245.242 0.417 20 0 BCADHM CNC(=O)c1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000108453329 388023441 /nfs/dbraw/zinc/02/34/41/388023441.db2.gz FTBXANDOCOJZST-UHFFFAOYSA-N -1 3 245.242 0.417 20 0 BCADHM CO[C@@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1(C)C ZINC000440192700 388035973 /nfs/dbraw/zinc/03/59/73/388035973.db2.gz LMJTUWAGHHKHQU-RKDXNWHRSA-N -1 3 247.302 0.952 20 0 BCADHM CO[C@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)C1(C)C ZINC000440192699 388036282 /nfs/dbraw/zinc/03/62/82/388036282.db2.gz LMJTUWAGHHKHQU-IUCAKERBSA-N -1 3 247.302 0.952 20 0 BCADHM O=C(NCc1c[nH]cn1)c1cncc([O-])c1 ZINC000084081371 388070704 /nfs/dbraw/zinc/07/07/04/388070704.db2.gz XDAPLVPMPOAJQJ-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM O=C(NCc1cnc[nH]1)c1cncc([O-])c1 ZINC000084081371 388070707 /nfs/dbraw/zinc/07/07/07/388070707.db2.gz XDAPLVPMPOAJQJ-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM COc1ccc([O-])c(C(=O)NCC[C@@H](C)O)c1 ZINC000085985932 388098412 /nfs/dbraw/zinc/09/84/12/388098412.db2.gz KNBOKLZYHWJDJJ-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM O=C(Cc1ccoc1)[N-]c1nnc2[nH]cnn12 ZINC000646265833 388172615 /nfs/dbraw/zinc/17/26/15/388172615.db2.gz BLUAGCXBWUGWHP-UHFFFAOYSA-N -1 3 232.203 0.227 20 0 BCADHM O=C(C[C@@H]1C=CCC1)[N-]c1nnc2[nH]cnn12 ZINC000646266291 388173714 /nfs/dbraw/zinc/17/37/14/388173714.db2.gz MJVWDSNQFLYKQQ-SSDOTTSWSA-N -1 3 232.247 0.747 20 0 BCADHM CC[C@H](C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646267353 388173873 /nfs/dbraw/zinc/17/38/73/388173873.db2.gz MXKFKUAFVWQOBI-YFKPBYRVSA-N -1 3 208.225 0.437 20 0 BCADHM [O-]c1cccnc1CN1CC[C@@](O)(C(F)F)C1 ZINC000648720130 388134584 /nfs/dbraw/zinc/13/45/84/388134584.db2.gz NZAXZASSMAITTJ-NSHDSACASA-N -1 3 244.241 0.989 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451024065 388260923 /nfs/dbraw/zinc/26/09/23/388260923.db2.gz WHCMLQWDKWKGNW-UHFFFAOYSA-N -1 3 249.313 0.508 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cccc2[nH]cnc21 ZINC000490364736 388238001 /nfs/dbraw/zinc/23/80/01/388238001.db2.gz HCSMESHRBUNAPC-UHFFFAOYSA-N -1 3 240.288 0.781 20 0 BCADHM CC[C@H](O)C[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000490419345 388238498 /nfs/dbraw/zinc/23/84/98/388238498.db2.gz IPJLHVVEQFXDSQ-QMMMGPOBSA-N -1 3 248.304 0.173 20 0 BCADHM CC/C=C\C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000451771237 388295127 /nfs/dbraw/zinc/29/51/27/388295127.db2.gz GXYNJNGMPWWWKQ-WAYWQWQTSA-N -1 3 243.332 0.973 20 0 BCADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000451814477 388298469 /nfs/dbraw/zinc/29/84/69/388298469.db2.gz XKMYJUTVLWVEML-BDAKNGLRSA-N -1 3 243.332 0.745 20 0 BCADHM CCc1ccc(/C=C/C(=O)[N-]OCCO)o1 ZINC000492035318 388332378 /nfs/dbraw/zinc/33/23/78/388332378.db2.gz WMGDAJGALSNUPV-AATRIKPKSA-N -1 3 225.244 0.895 20 0 BCADHM O=C(/C=C\c1cccc(CO)c1)[N-]OCCO ZINC000491988025 388330812 /nfs/dbraw/zinc/33/08/12/388330812.db2.gz BWZWCPRGEUVXNJ-PLNGDYQASA-N -1 3 237.255 0.232 20 0 BCADHM O=C(/C=C\c1ccc[nH]1)[N-]O[C@H]1CCOC1 ZINC000492004757 388331127 /nfs/dbraw/zinc/33/11/27/388331127.db2.gz TUHGYQOPXXNBSY-XOULXFPDSA-N -1 3 222.244 0.865 20 0 BCADHM O=C(/C=C/c1ccc[nH]1)[N-]O[C@@H]1CCOC1 ZINC000492004754 388331286 /nfs/dbraw/zinc/33/12/86/388331286.db2.gz TUHGYQOPXXNBSY-HMDXOVGESA-N -1 3 222.244 0.865 20 0 BCADHM COc1nnc(NC(=O)C=Cc2ccncc2)[n-]1 ZINC000492342748 388342268 /nfs/dbraw/zinc/34/22/68/388342268.db2.gz QZPJTGXWDTYHIU-NSCUHMNNSA-N -1 3 245.242 0.860 20 0 BCADHM COc1nc(NC(=O)C=Cc2ccncc2)n[n-]1 ZINC000492342748 388342269 /nfs/dbraw/zinc/34/22/69/388342269.db2.gz QZPJTGXWDTYHIU-NSCUHMNNSA-N -1 3 245.242 0.860 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2ccncc2)n1 ZINC000492342748 388342270 /nfs/dbraw/zinc/34/22/70/388342270.db2.gz QZPJTGXWDTYHIU-NSCUHMNNSA-N -1 3 245.242 0.860 20 0 BCADHM C[C@]1(CO)CCC[C@H]1NC(=O)c1c[n-]nn1 ZINC000162222605 388348825 /nfs/dbraw/zinc/34/88/25/388348825.db2.gz XWVWBFHTLVFZSB-PSASIEDQSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@]1(CO)CCC[C@H]1NC(=O)c1cnn[n-]1 ZINC000162222605 388348827 /nfs/dbraw/zinc/34/88/27/388348827.db2.gz XWVWBFHTLVFZSB-PSASIEDQSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@]1(CO)CCC[C@H]1NC(=O)c1cn[n-]n1 ZINC000162222605 388348828 /nfs/dbraw/zinc/34/88/28/388348828.db2.gz XWVWBFHTLVFZSB-PSASIEDQSA-N -1 3 224.264 0.086 20 0 BCADHM CN(CCC(=O)[O-])C(=O)[C@@H]1NCCCC1(C)C ZINC000234287462 388354583 /nfs/dbraw/zinc/35/45/83/388354583.db2.gz BYAAIAWSZXHUHJ-JTQLQIEISA-N -1 3 242.319 0.698 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CCC1 ZINC000524387911 388357906 /nfs/dbraw/zinc/35/79/06/388357906.db2.gz QFOOWRYFZQPYKK-SECBINFHSA-N -1 3 223.276 0.415 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccncc1 ZINC000524387843 388357996 /nfs/dbraw/zinc/35/79/96/388357996.db2.gz DBLYMJMKWYLNNV-JTQLQIEISA-N -1 3 246.270 0.323 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC(C)C ZINC000524397635 388358405 /nfs/dbraw/zinc/35/84/05/388358405.db2.gz CYDNWUYYEMCKBE-SECBINFHSA-N -1 3 225.292 0.661 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc[nH]1 ZINC000524410337 388358792 /nfs/dbraw/zinc/35/87/92/388358792.db2.gz FWLRTRAICQJRAI-QMMMGPOBSA-N -1 3 234.259 0.257 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)COC(C)C ZINC000524411839 388359097 /nfs/dbraw/zinc/35/90/97/388359097.db2.gz AQSAINBCEWKLJO-SECBINFHSA-N -1 3 241.291 0.040 20 0 BCADHM CCc1cc(C[N-]S(=O)(=O)CCOC)on1 ZINC000524636506 388369572 /nfs/dbraw/zinc/36/95/72/388369572.db2.gz CVPHRVDHSNHOHX-UHFFFAOYSA-N -1 3 248.304 0.303 20 0 BCADHM C[C@H]1CCCCCN1CC(=O)Nc1nnn[n-]1 ZINC000572819699 388378617 /nfs/dbraw/zinc/37/86/17/388378617.db2.gz WJMFXUXZPONRJY-QMMMGPOBSA-N -1 3 238.295 0.403 20 0 BCADHM C[C@H]1CCCCCN1CC(=O)Nc1nn[n-]n1 ZINC000572819699 388378620 /nfs/dbraw/zinc/37/86/20/388378620.db2.gz WJMFXUXZPONRJY-QMMMGPOBSA-N -1 3 238.295 0.403 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@@H]1C=C[C@H](CO)C1 ZINC000572899592 388384749 /nfs/dbraw/zinc/38/47/49/388384749.db2.gz DVIHJDAQVNNGGN-GXSJLCMTSA-N -1 3 248.282 0.383 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCOCC1 ZINC000646569305 388385543 /nfs/dbraw/zinc/38/55/43/388385543.db2.gz XCOVSBBKGOMAFA-UHFFFAOYSA-N -1 3 222.244 0.189 20 0 BCADHM [O-]c1cccnc1CN1CC[C@H](CCO)C1 ZINC000572920591 388389275 /nfs/dbraw/zinc/38/92/75/388389275.db2.gz FNQHHQXDRGXPRR-SNVBAGLBSA-N -1 3 222.288 0.992 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)/C=C\C1CCC1 ZINC000492094891 388334835 /nfs/dbraw/zinc/33/48/35/388334835.db2.gz ZOEUSHTTWGMRQN-ISALQUGTSA-N -1 3 249.314 0.971 20 0 BCADHM CN(C)CC(C)(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000308687052 388447722 /nfs/dbraw/zinc/44/77/22/388447722.db2.gz FBKOOBBAIIAFDW-UHFFFAOYSA-N -1 3 246.336 0.028 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCO[C@@H]2C[C@@H]21 ZINC000646741705 388451724 /nfs/dbraw/zinc/45/17/24/388451724.db2.gz HFWZYQHFDUERGE-WDEREUQCSA-N -1 3 244.254 0.571 20 0 BCADHM NC(=O)CO[N-]C(=O)/C=C\c1cccc(F)c1 ZINC000309993459 388471124 /nfs/dbraw/zinc/47/11/24/388471124.db2.gz MMGPCZGEVMCIHM-PLNGDYQASA-N -1 3 238.218 0.372 20 0 BCADHM CC(C)(C)CC[C@@H](NC(=O)C1(N)CC1)C(=O)[O-] ZINC000516073331 256763500 /nfs/dbraw/zinc/76/35/00/256763500.db2.gz QEULFBMWIYGHHW-MRVPVSSYSA-N -1 3 242.319 0.873 20 0 BCADHM O=C([O-])CCC(=O)NCCN1CCCCCC1 ZINC000040767971 388426059 /nfs/dbraw/zinc/42/60/59/388426059.db2.gz MMTSHWQFSCRBDF-UHFFFAOYSA-N -1 3 242.319 0.843 20 0 BCADHM COc1cc(CNC(=O)c2c[n-]nn2)ccc1O ZINC000194171501 388479898 /nfs/dbraw/zinc/47/98/98/388479898.db2.gz FYPACYGRMXEQKU-UHFFFAOYSA-N -1 3 248.242 0.449 20 0 BCADHM COc1cc(CNC(=O)c2cnn[n-]2)ccc1O ZINC000194171501 388479904 /nfs/dbraw/zinc/47/99/04/388479904.db2.gz FYPACYGRMXEQKU-UHFFFAOYSA-N -1 3 248.242 0.449 20 0 BCADHM COc1cc(CNC(=O)c2cn[n-]n2)ccc1O ZINC000194171501 388479906 /nfs/dbraw/zinc/47/99/06/388479906.db2.gz FYPACYGRMXEQKU-UHFFFAOYSA-N -1 3 248.242 0.449 20 0 BCADHM COC(=O)NCC[N-]C(=O)C(F)(F)C(F)F ZINC000308135869 388432964 /nfs/dbraw/zinc/43/29/64/388432964.db2.gz FHGJDEQUMVZJBR-UHFFFAOYSA-N -1 3 246.160 0.359 20 0 BCADHM COc1nc(NC(=O)CCC2CC2)n[n-]1 ZINC000352642281 388537640 /nfs/dbraw/zinc/53/76/40/388537640.db2.gz DLLUGCYVLKYMFP-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1nnc(NC(=O)CCC2CC2)[n-]1 ZINC000352642281 388537646 /nfs/dbraw/zinc/53/76/46/388537646.db2.gz DLLUGCYVLKYMFP-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COc1n[n-]c(NC(=O)CCC2CC2)n1 ZINC000352642281 388537649 /nfs/dbraw/zinc/53/76/49/388537649.db2.gz DLLUGCYVLKYMFP-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM CC[C@H](O)CNC(=O)c1cccc([O-])c1 ZINC000135903881 388514704 /nfs/dbraw/zinc/51/47/04/388514704.db2.gz SMZDCZROGAVTDS-VIFPVBQESA-N -1 3 209.245 0.893 20 0 BCADHM C[C@H]1CCN(CCNC(=O)c2ncccc2[O-])C1 ZINC000548306027 388528188 /nfs/dbraw/zinc/52/81/88/388528188.db2.gz DNPUGKSFEBRWRP-JTQLQIEISA-N -1 3 249.314 0.859 20 0 BCADHM CC(C)Cc1noc([C@H](C)[N-]S(C)(=O)=O)n1 ZINC000136389860 388533337 /nfs/dbraw/zinc/53/33/37/388533337.db2.gz BBNDGAQQPKVSOO-ZETCQYMHSA-N -1 3 247.320 0.878 20 0 BCADHM C[C@@H](CNC(=O)c1c[n-]nn1)CC(F)F ZINC000648963220 388589061 /nfs/dbraw/zinc/58/90/61/388589061.db2.gz OJJGHRHRNYVFIX-RXMQYKEDSA-N -1 3 218.207 0.826 20 0 BCADHM C[C@@H](CNC(=O)c1cnn[n-]1)CC(F)F ZINC000648963220 388589064 /nfs/dbraw/zinc/58/90/64/388589064.db2.gz OJJGHRHRNYVFIX-RXMQYKEDSA-N -1 3 218.207 0.826 20 0 BCADHM C[C@@H](CNC(=O)c1cn[n-]n1)CC(F)F ZINC000648963220 388589066 /nfs/dbraw/zinc/58/90/66/388589066.db2.gz OJJGHRHRNYVFIX-RXMQYKEDSA-N -1 3 218.207 0.826 20 0 BCADHM CNC(=O)CC(=O)Nc1ccccc1[O-] ZINC000186012582 388596640 /nfs/dbraw/zinc/59/66/40/388596640.db2.gz PQXJGVGDGMPVFE-UHFFFAOYSA-N -1 3 208.217 0.467 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CC[C@H](CO)C1 ZINC000220258640 388603738 /nfs/dbraw/zinc/60/37/38/388603738.db2.gz AOJAUZFKLFNQDO-QMMMGPOBSA-N -1 3 237.255 0.552 20 0 BCADHM C[C@@H](O)CN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530165857 388617988 /nfs/dbraw/zinc/61/79/88/388617988.db2.gz IKWYUTYFESAKBC-XCBNKYQSSA-N -1 3 225.244 0.644 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)CC1CCC1)C(=O)OC ZINC000357160830 388551951 /nfs/dbraw/zinc/55/19/51/388551951.db2.gz HWIARHVUJMHXQY-VIFPVBQESA-N -1 3 249.332 0.658 20 0 BCADHM CC(F)(F)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000357814419 388554052 /nfs/dbraw/zinc/55/40/52/388554052.db2.gz XARJFZWPSKUIMD-UHFFFAOYSA-N -1 3 239.247 0.733 20 0 BCADHM O=C(Nc1nnc(C2CC2)s1)c1cnn[n-]1 ZINC000548819194 388564525 /nfs/dbraw/zinc/56/45/25/388564525.db2.gz OQFCUBKRZKIKAY-UHFFFAOYSA-N -1 3 236.260 0.786 20 0 BCADHM O=C(Nc1nnc(C2CC2)s1)c1c[n-]nn1 ZINC000548819194 388564528 /nfs/dbraw/zinc/56/45/28/388564528.db2.gz OQFCUBKRZKIKAY-UHFFFAOYSA-N -1 3 236.260 0.786 20 0 BCADHM O=C(Nc1nnc(C2CC2)s1)c1cn[n-]n1 ZINC000548819194 388564531 /nfs/dbraw/zinc/56/45/31/388564531.db2.gz OQFCUBKRZKIKAY-UHFFFAOYSA-N -1 3 236.260 0.786 20 0 BCADHM O=C(N[C@H]1CCCOC1)c1cccc2nn[n-]c21 ZINC000183579610 388569882 /nfs/dbraw/zinc/56/98/82/388569882.db2.gz FDULTINLGUDGLE-QMMMGPOBSA-N -1 3 246.270 0.867 20 0 BCADHM O=C(N[C@H]1CCCOC1)c1cccc2[n-]nnc21 ZINC000183579610 388569883 /nfs/dbraw/zinc/56/98/83/388569883.db2.gz FDULTINLGUDGLE-QMMMGPOBSA-N -1 3 246.270 0.867 20 0 BCADHM O=C(N[C@H]1CCCOC1)c1cccc2n[n-]nc21 ZINC000183579610 388569884 /nfs/dbraw/zinc/56/98/84/388569884.db2.gz FDULTINLGUDGLE-QMMMGPOBSA-N -1 3 246.270 0.867 20 0 BCADHM CCn1nc(C)cc1NC(=O)c1nnc[n-]1 ZINC000530134382 388616118 /nfs/dbraw/zinc/61/61/18/388616118.db2.gz RMASGYJBUPQOBN-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM CCn1nc(C)cc1NC(=O)c1nc[n-]n1 ZINC000530134382 388616121 /nfs/dbraw/zinc/61/61/21/388616121.db2.gz RMASGYJBUPQOBN-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM CC(C)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530172421 388620165 /nfs/dbraw/zinc/62/01/65/388620165.db2.gz LYTKDMFKBMQOQT-BDAKNGLRSA-N -1 3 201.266 0.816 20 0 BCADHM CO[C@H](C)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000189615581 388639709 /nfs/dbraw/zinc/63/97/09/388639709.db2.gz KWBIWMZQXIHJSS-CDAZIORVSA-N -1 3 236.271 0.952 20 0 BCADHM OCc1nc(Sc2ncnc3[nH]ccc32)n[n-]1 ZINC000530372999 388653238 /nfs/dbraw/zinc/65/32/38/388653238.db2.gz OEAKWZXGHHOERF-UHFFFAOYSA-N -1 3 248.271 0.720 20 0 BCADHM Cn1ccnc1CNC(=O)c1ccc(O)cc1[O-] ZINC000227614353 388753547 /nfs/dbraw/zinc/75/35/47/388753547.db2.gz VXLAWAREGXZELI-UHFFFAOYSA-N -1 3 247.254 0.761 20 0 BCADHM COc1nnc(NC(=O)COc2ccccc2)[n-]1 ZINC000126793029 388703105 /nfs/dbraw/zinc/70/31/05/388703105.db2.gz QPGPYLYGAWHDQC-UHFFFAOYSA-N -1 3 248.242 0.831 20 0 BCADHM COc1nc(NC(=O)COc2ccccc2)n[n-]1 ZINC000126793029 388703108 /nfs/dbraw/zinc/70/31/08/388703108.db2.gz QPGPYLYGAWHDQC-UHFFFAOYSA-N -1 3 248.242 0.831 20 0 BCADHM COc1n[n-]c(NC(=O)COc2ccccc2)n1 ZINC000126793029 388703110 /nfs/dbraw/zinc/70/31/10/388703110.db2.gz QPGPYLYGAWHDQC-UHFFFAOYSA-N -1 3 248.242 0.831 20 0 BCADHM COc1nnc(NC(=O)c2ccco2)[n-]1 ZINC000126818246 388704815 /nfs/dbraw/zinc/70/48/15/388704815.db2.gz ODRVTHAGHSCRKW-UHFFFAOYSA-N -1 3 208.177 0.659 20 0 BCADHM COc1nc(NC(=O)c2ccco2)n[n-]1 ZINC000126818246 388704817 /nfs/dbraw/zinc/70/48/17/388704817.db2.gz ODRVTHAGHSCRKW-UHFFFAOYSA-N -1 3 208.177 0.659 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccco2)n1 ZINC000126818246 388704818 /nfs/dbraw/zinc/70/48/18/388704818.db2.gz ODRVTHAGHSCRKW-UHFFFAOYSA-N -1 3 208.177 0.659 20 0 BCADHM COc1nnc(NC(=O)c2ccc(C)o2)[n-]1 ZINC000126832446 388704975 /nfs/dbraw/zinc/70/49/75/388704975.db2.gz LNNZPCINGYHIOG-UHFFFAOYSA-N -1 3 222.204 0.967 20 0 BCADHM COc1nc(NC(=O)c2ccc(C)o2)n[n-]1 ZINC000126832446 388704977 /nfs/dbraw/zinc/70/49/77/388704977.db2.gz LNNZPCINGYHIOG-UHFFFAOYSA-N -1 3 222.204 0.967 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccc(C)o2)n1 ZINC000126832446 388704979 /nfs/dbraw/zinc/70/49/79/388704979.db2.gz LNNZPCINGYHIOG-UHFFFAOYSA-N -1 3 222.204 0.967 20 0 BCADHM O=C1[N-]C(=O)N2CCN(CCC3CC3)C[C@H]12 ZINC000538713005 388708396 /nfs/dbraw/zinc/70/83/96/388708396.db2.gz WKBRVGKCTKROMF-SECBINFHSA-N -1 3 223.276 0.023 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCCCO1 ZINC000553555976 388783000 /nfs/dbraw/zinc/78/30/00/388783000.db2.gz DWGIJCZRQOAFBY-UHFFFAOYSA-N -1 3 222.244 0.884 20 0 BCADHM COC[C@@H]1CCN1C(=O)c1cccc2[n-]nnc21 ZINC000554577305 388822303 /nfs/dbraw/zinc/82/23/03/388822303.db2.gz VXRQSUXTBJTETH-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM COC[C@@H]1CCN1C(=O)c1cccc2nn[n-]c21 ZINC000554577305 388822305 /nfs/dbraw/zinc/82/23/05/388822305.db2.gz VXRQSUXTBJTETH-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM COC[C@@H]1CCN1C(=O)c1cccc2n[n-]nc21 ZINC000554577305 388822309 /nfs/dbraw/zinc/82/23/09/388822309.db2.gz VXRQSUXTBJTETH-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM CC(=O)N1CCN(Cc2ncccc2[O-])[C@@H](C)C1 ZINC000554855345 388832456 /nfs/dbraw/zinc/83/24/56/388832456.db2.gz QEJAIRJBGYESFN-JTQLQIEISA-N -1 3 249.314 0.840 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)C(C)C ZINC000523694398 388854952 /nfs/dbraw/zinc/85/49/52/388854952.db2.gz OVHLWPVVYGGLEZ-WPRPVWTQSA-N -1 3 239.319 0.907 20 0 BCADHM Cc1ncc(CNC(=O)NCCCF)c(=O)[n-]1 ZINC000541341424 388849841 /nfs/dbraw/zinc/84/98/41/388849841.db2.gz NKTFMXOEAQALSE-UHFFFAOYSA-N -1 3 242.254 0.649 20 0 BCADHM CC[C@H](O)CNC(=O)c1c([O-])cccc1O ZINC000232436235 388850436 /nfs/dbraw/zinc/85/04/36/388850436.db2.gz TYRVHTHPXVGCPD-ZETCQYMHSA-N -1 3 225.244 0.599 20 0 BCADHM C[C@@H](O)CC[N-]S(=O)(=O)c1cscn1 ZINC000564914009 388898425 /nfs/dbraw/zinc/89/84/25/388898425.db2.gz RFWMNCAGGHVNRR-ZCFIWIBFSA-N -1 3 236.318 0.192 20 0 BCADHM Cc1nnc(CNC(=O)c2ccccc2[O-])n1C ZINC000264357941 388991820 /nfs/dbraw/zinc/99/18/20/388991820.db2.gz RNEYENAQSQUJFL-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM COC[C@@H](NCc1nc(=O)[n-][nH]1)c1ccccc1 ZINC000271770080 389023048 /nfs/dbraw/zinc/02/30/48/389023048.db2.gz FTOZIPQQULOQDF-SNVBAGLBSA-N -1 3 248.286 0.575 20 0 BCADHM CSCCO[N-]C(=O)C=Cc1c[nH]cn1 ZINC000493672571 533582699 /nfs/dbraw/zinc/58/26/99/533582699.db2.gz HSKGTQADUCFULP-IHWYPQMZSA-N -1 3 227.289 0.834 20 0 BCADHM NC(=O)CC(=O)N1CCCc2cccc([O-])c21 ZINC000272531830 132200985 /nfs/dbraw/zinc/20/09/85/132200985.db2.gz QXZVOLABEKOMRQ-UHFFFAOYSA-N -1 3 234.255 0.547 20 0 BCADHM C[C@@H]1[C@H](C)OCCN1c1nc2[nH][n-]cc-2c(=N)n1 ZINC000354571496 132269863 /nfs/dbraw/zinc/26/98/63/132269863.db2.gz PZSQIMDKJLPNOG-RQJHMYQMSA-N -1 3 248.290 0.331 20 0 BCADHM C[C@@H]1OCCN(c2nc3[nH][n-]cc-3c(=N)n2)[C@H]1C ZINC000354571483 132269930 /nfs/dbraw/zinc/26/99/30/132269930.db2.gz PZSQIMDKJLPNOG-BQBZGAKWSA-N -1 3 248.290 0.331 20 0 BCADHM Cn1[n-]c(CN2CCC[C@@H](C3CC3)C2)nc1=O ZINC000335992367 134040912 /nfs/dbraw/zinc/04/09/12/134040912.db2.gz UNVPHPBKPGYCHH-SNVBAGLBSA-N -1 3 236.319 0.730 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)c1cncs1 ZINC000352038015 134045585 /nfs/dbraw/zinc/04/55/85/134045585.db2.gz CLNUTUQYNOQBAH-YFKPBYRVSA-N -1 3 223.261 0.752 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)c1cncs1 ZINC000352038015 134045586 /nfs/dbraw/zinc/04/55/86/134045586.db2.gz CLNUTUQYNOQBAH-YFKPBYRVSA-N -1 3 223.261 0.752 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1cncs1 ZINC000352038015 134045587 /nfs/dbraw/zinc/04/55/87/134045587.db2.gz CLNUTUQYNOQBAH-YFKPBYRVSA-N -1 3 223.261 0.752 20 0 BCADHM C[C@@H]1CC[C@H](C)N1Cc1nc(=O)n(C)[n-]1 ZINC000336001761 134047659 /nfs/dbraw/zinc/04/76/59/134047659.db2.gz DBDHFXPJIVIZKX-OCAPTIKFSA-N -1 3 210.281 0.481 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CNC(=O)C2)c1 ZINC000226711601 134370978 /nfs/dbraw/zinc/37/09/78/134370978.db2.gz SDQBBICGXFEESS-QMMMGPOBSA-N -1 3 234.255 0.319 20 0 BCADHM O=c1[n-]c(=O)n(CCOCC2CC2)cc1Cl ZINC000185560164 134381782 /nfs/dbraw/zinc/38/17/82/134381782.db2.gz KRCNUTYSMDQHEM-UHFFFAOYSA-N -1 3 244.678 0.617 20 0 BCADHM O=C(N[C@H]1CCCNC1=O)c1cccc([O-])c1 ZINC000050398060 134659272 /nfs/dbraw/zinc/65/92/72/134659272.db2.gz CBGOFDXAEZAQKZ-JTQLQIEISA-N -1 3 234.255 0.401 20 0 BCADHM CCN(CC)CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000159908775 134794499 /nfs/dbraw/zinc/79/44/99/134794499.db2.gz IWHFDVJWBZLEGV-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM C[C@H]1CN(CC(=O)NCC(=O)[O-])C(C)(C)C1 ZINC000262278348 135117603 /nfs/dbraw/zinc/11/76/03/135117603.db2.gz WEJAFRFKHNTPCE-MRVPVSSYSA-N -1 3 228.292 0.308 20 0 BCADHM CCO[N-]C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000253268973 135125731 /nfs/dbraw/zinc/12/57/31/135125731.db2.gz ZELCKCWGQRGCPO-KBVBSXBZSA-N -1 3 242.319 0.587 20 0 BCADHM CC[C@H]1CN(CCC(=O)[O-])C[C@@H](C)O1 ZINC000261530432 135158407 /nfs/dbraw/zinc/15/84/07/135158407.db2.gz ZVGRHOIDQRRULI-BDAKNGLRSA-N -1 3 201.266 0.960 20 0 BCADHM Cc1cc(C(=O)NCC(C)C)[n-]c(=O)n1 ZINC000268650629 135161289 /nfs/dbraw/zinc/16/12/89/135161289.db2.gz OUXDHAJBOVEBKI-UHFFFAOYSA-N -1 3 209.249 0.876 20 0 BCADHM CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])N(CC)CC ZINC000261568881 135211620 /nfs/dbraw/zinc/21/16/20/135211620.db2.gz FXCZCFJKQHMZSX-DTWKUNHWSA-N -1 3 230.308 0.696 20 0 BCADHM CCN(CC(=O)NCC(=O)[O-])[C@@H](C)C(C)C ZINC000262172880 135283539 /nfs/dbraw/zinc/28/35/39/135283539.db2.gz DOMXDKNNJPUCPW-VIFPVBQESA-N -1 3 230.308 0.554 20 0 BCADHM C[C@@H](C(=O)NCCC(=O)[O-])N1CCCCCC1 ZINC000262236801 135285859 /nfs/dbraw/zinc/28/58/59/135285859.db2.gz NXXGHRSKVNIPGB-JTQLQIEISA-N -1 3 242.319 0.842 20 0 BCADHM O=C([O-])CNC(=O)CN1C[C@@H]2CCCC[C@H]2C1 ZINC000262273498 135289148 /nfs/dbraw/zinc/28/91/48/135289148.db2.gz VIFJSEURZNCNQQ-UWVGGRQHSA-N -1 3 240.303 0.309 20 0 BCADHM CC[C@@H]1CN([C@H](C)C(=O)[O-])CCN1C[C@@H](C)O ZINC000262273518 135289181 /nfs/dbraw/zinc/28/91/81/135289181.db2.gz UESLWGWLQJKFIO-GMTAPVOTSA-N -1 3 244.335 0.237 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@@H](C(C)C)N(C)C ZINC000262406095 135295167 /nfs/dbraw/zinc/29/51/67/135295167.db2.gz WLVHSYMJVKBIEI-LLVKDONJSA-N -1 3 244.335 0.896 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)N(C)CCC(=O)[O-] ZINC000262875201 135322387 /nfs/dbraw/zinc/32/23/87/135322387.db2.gz KBXCAZJXAAEUQY-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM C[C@H]1CC[C@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000334405701 135394016 /nfs/dbraw/zinc/39/40/16/135394016.db2.gz QDLDSNNUBXQLOA-POYBYMJQSA-N -1 3 237.259 0.014 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2C=CCCC2)n1 ZINC000335349383 136067785 /nfs/dbraw/zinc/06/77/85/136067785.db2.gz ICABCRYRQDTSJH-SECBINFHSA-N -1 3 241.316 0.807 20 0 BCADHM CCOC[C@@H](NCc1nc(=O)n(C)[n-]1)C(C)C ZINC000348469677 136079823 /nfs/dbraw/zinc/07/98/23/136079823.db2.gz OGIYPLVQWLUULM-SECBINFHSA-N -1 3 242.323 0.259 20 0 BCADHM CC(C)(C)C[C@@H](CO)NC(=O)c1c[n-]nn1 ZINC000305746969 397799814 /nfs/dbraw/zinc/79/98/14/397799814.db2.gz RECUPYWBUZQFBW-ZETCQYMHSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)(C)C[C@@H](CO)NC(=O)c1cnn[n-]1 ZINC000305746969 397799815 /nfs/dbraw/zinc/79/98/15/397799815.db2.gz RECUPYWBUZQFBW-ZETCQYMHSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)(C)C[C@@H](CO)NC(=O)c1cn[n-]n1 ZINC000305746969 397799818 /nfs/dbraw/zinc/79/98/18/397799818.db2.gz RECUPYWBUZQFBW-ZETCQYMHSA-N -1 3 226.280 0.332 20 0 BCADHM CCCC[C@@H](NC(=O)c1c[n-]nn1)C(=O)OC ZINC000186453260 397878099 /nfs/dbraw/zinc/87/80/99/397878099.db2.gz IHOGVVBBXPKQND-SSDOTTSWSA-N -1 3 240.263 0.266 20 0 BCADHM CCCC[C@@H](NC(=O)c1cnn[n-]1)C(=O)OC ZINC000186453260 397878103 /nfs/dbraw/zinc/87/81/03/397878103.db2.gz IHOGVVBBXPKQND-SSDOTTSWSA-N -1 3 240.263 0.266 20 0 BCADHM CCCC[C@@H](NC(=O)c1cn[n-]n1)C(=O)OC ZINC000186453260 397878105 /nfs/dbraw/zinc/87/81/05/397878105.db2.gz IHOGVVBBXPKQND-SSDOTTSWSA-N -1 3 240.263 0.266 20 0 BCADHM CC1(C)CN(c2ccncc2C(=O)[O-])C[C@@H]1O ZINC000387833823 397935276 /nfs/dbraw/zinc/93/52/76/397935276.db2.gz ZWORMAYYURDHHA-JTQLQIEISA-N -1 3 236.271 0.987 20 0 BCADHM CC[C@@H](CN=c1ncnc2[nH][n-]cc1-2)C(=O)OC ZINC000591975341 397939773 /nfs/dbraw/zinc/93/97/73/397939773.db2.gz OTKJFSHFGWRMBE-ZETCQYMHSA-N -1 3 249.274 0.338 20 0 BCADHM COCCSc1nc2n[nH]cc2c(=O)[n-]1 ZINC000036673817 397899464 /nfs/dbraw/zinc/89/94/64/397899464.db2.gz MSGIPIVPSOOQJJ-UHFFFAOYSA-N -1 3 226.261 0.385 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1cnn(C)c1 ZINC000361055935 397972874 /nfs/dbraw/zinc/97/28/74/397972874.db2.gz XSSLQDVEOFAKAU-ZETCQYMHSA-N -1 3 243.274 0.633 20 0 BCADHM COc1cc(C(=O)NC[C@@H](C)CO)ccc1[O-] ZINC000272623346 397980139 /nfs/dbraw/zinc/98/01/39/397980139.db2.gz KGBXETYMAHTDIR-MRVPVSSYSA-N -1 3 239.271 0.759 20 0 BCADHM COc1cc(C(=O)NC[C@H](C)CO)ccc1[O-] ZINC000272623348 397980314 /nfs/dbraw/zinc/98/03/14/397980314.db2.gz KGBXETYMAHTDIR-QMMMGPOBSA-N -1 3 239.271 0.759 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCc2nnn(C)n2)c1 ZINC000398232914 397985926 /nfs/dbraw/zinc/98/59/26/397985926.db2.gz UILDSIQTMKUMHG-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM CC(C)Cc1noc([C@@H]2CCS(=O)(=O)[N-]2)n1 ZINC000650211686 397987301 /nfs/dbraw/zinc/98/73/01/397987301.db2.gz QIKYTBSQACKSOX-ZETCQYMHSA-N -1 3 245.304 0.632 20 0 BCADHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cnn[n-]2)n[nH]1 ZINC000194543995 398127569 /nfs/dbraw/zinc/12/75/69/398127569.db2.gz ILDIITXFELCLRK-RITPCOANSA-N -1 3 232.247 0.904 20 0 BCADHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2c[n-]nn2)n[nH]1 ZINC000194543995 398127576 /nfs/dbraw/zinc/12/75/76/398127576.db2.gz ILDIITXFELCLRK-RITPCOANSA-N -1 3 232.247 0.904 20 0 BCADHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cn[n-]n2)n[nH]1 ZINC000194543995 398127577 /nfs/dbraw/zinc/12/75/77/398127577.db2.gz ILDIITXFELCLRK-RITPCOANSA-N -1 3 232.247 0.904 20 0 BCADHM Cc1cccc(C(=O)N[C@@H](C)CC(N)=O)c1[O-] ZINC000135387838 398134371 /nfs/dbraw/zinc/13/43/71/398134371.db2.gz DDVRNYZSRRLPFK-QMMMGPOBSA-N -1 3 236.271 0.694 20 0 BCADHM COCCCO[N-]C(=O)C1=COCCC1 ZINC000288313089 174255532 /nfs/dbraw/zinc/25/55/32/174255532.db2.gz WIHZJTBCCZTEGS-UHFFFAOYSA-N -1 3 215.249 0.765 20 0 BCADHM C[C@H]1C[C@H]1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000120753070 490068389 /nfs/dbraw/zinc/06/83/89/490068389.db2.gz VFSTVTIBSYVCIN-NTSWFWBYSA-N -1 3 242.304 0.484 20 0 BCADHM C[C@H]1C[C@H]1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000120753070 490068392 /nfs/dbraw/zinc/06/83/92/490068392.db2.gz VFSTVTIBSYVCIN-NTSWFWBYSA-N -1 3 242.304 0.484 20 0 BCADHM C[C@H]1C[C@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000120753070 490068396 /nfs/dbraw/zinc/06/83/96/490068396.db2.gz VFSTVTIBSYVCIN-NTSWFWBYSA-N -1 3 242.304 0.484 20 0 BCADHM CN(CCCC(=O)N(C)C)Cc1n[n-]c(=O)o1 ZINC000660845979 409848932 /nfs/dbraw/zinc/84/89/32/409848932.db2.gz VTLVZCOTEFFIOJ-UHFFFAOYSA-N -1 3 242.279 0.075 20 0 BCADHM CO[C@@H]1C[C@H](NC(=O)c2c[n-]nn2)C12CCC2 ZINC000655318204 409891120 /nfs/dbraw/zinc/89/11/20/409891120.db2.gz BTEYFWBUGITRHG-DTWKUNHWSA-N -1 3 236.275 0.492 20 0 BCADHM CO[C@@H]1C[C@H](NC(=O)c2cnn[n-]2)C12CCC2 ZINC000655318204 409891126 /nfs/dbraw/zinc/89/11/26/409891126.db2.gz BTEYFWBUGITRHG-DTWKUNHWSA-N -1 3 236.275 0.492 20 0 BCADHM CO[C@@H]1C[C@H](NC(=O)c2cn[n-]n2)C12CCC2 ZINC000655318204 409891129 /nfs/dbraw/zinc/89/11/29/409891129.db2.gz BTEYFWBUGITRHG-DTWKUNHWSA-N -1 3 236.275 0.492 20 0 BCADHM Cc1nc[nH]c1CNC(=O)Cc1cncc([O-])c1 ZINC000655392007 410194805 /nfs/dbraw/zinc/19/48/05/410194805.db2.gz AHOPPHJHWJVFGM-UHFFFAOYSA-N -1 3 246.270 0.678 20 0 BCADHM CN1CCC[C@H](NC(=O)Cc2cncc([O-])c2)C1 ZINC000655391397 410194935 /nfs/dbraw/zinc/19/49/35/410194935.db2.gz LYMFKSCGCAAEOC-NSHDSACASA-N -1 3 249.314 0.540 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCC1(CO)CC1 ZINC000655392646 410195346 /nfs/dbraw/zinc/19/53/46/410195346.db2.gz IBQIKLVBIHUQKO-UHFFFAOYSA-N -1 3 236.271 0.218 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC[C@@H](O)C(F)F ZINC000655397917 410199015 /nfs/dbraw/zinc/19/90/15/410199015.db2.gz JUUHFQHKAPRTIB-MRVPVSSYSA-N -1 3 246.213 0.072 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCO[C@@H]2C[C@@H]21 ZINC000655402732 410209196 /nfs/dbraw/zinc/20/91/96/410209196.db2.gz PAVZNBTUVXKRGT-WDEREUQCSA-N -1 3 234.255 0.329 20 0 BCADHM Cc1nnc(CCNc2ccnc(C(=O)[O-])c2)[nH]1 ZINC000650767531 410416485 /nfs/dbraw/zinc/41/64/85/410416485.db2.gz YQVMTUUIXNZQDF-UHFFFAOYSA-N -1 3 247.258 0.861 20 0 BCADHM CC(C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)C ZINC000340962052 167170123 /nfs/dbraw/zinc/17/01/23/167170123.db2.gz HCQMBHBJUVZFCU-MRVPVSSYSA-N -1 3 237.321 0.512 20 0 BCADHM CC(C)OCC(=O)[N-]c1nncn1C1CC1 ZINC000285951110 167194469 /nfs/dbraw/zinc/19/44/69/167194469.db2.gz VLICHPLKUJSCPF-UHFFFAOYSA-N -1 3 224.264 0.977 20 0 BCADHM CC(C)OCC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000273513967 167243479 /nfs/dbraw/zinc/24/34/79/167243479.db2.gz MPXOEMYAMOAIMH-UHFFFAOYSA-N -1 3 247.320 0.123 20 0 BCADHM CC(C)O[N-]C(=O)/C=C/c1ccnn1C ZINC000293876339 167273751 /nfs/dbraw/zinc/27/37/51/167273751.db2.gz FHLTVGUEAWNQQS-SNAWJCMRSA-N -1 3 209.249 0.890 20 0 BCADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000352478834 167361785 /nfs/dbraw/zinc/36/17/85/167361785.db2.gz AWJKQGVNEJVDGD-VIFPVBQESA-N -1 3 245.348 0.991 20 0 BCADHM CC(C)[C@@H](C)N(C)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000271046970 167364196 /nfs/dbraw/zinc/36/41/96/167364196.db2.gz RQJWXCKGQJIXOP-SFYZADRCSA-N -1 3 241.291 0.087 20 0 BCADHM CC(C)[C@@H](C)N(C)C(=O)C[C@H]1NC(=O)[N-]C1=O ZINC000343244941 167364895 /nfs/dbraw/zinc/36/48/95/167364895.db2.gz RQJWXCKGQJIXOP-HTQZYQBOSA-N -1 3 241.291 0.087 20 0 BCADHM CC(C)[C@@H](C)NC(=O)CN(C)CCCC(=O)[O-] ZINC000042717644 167372112 /nfs/dbraw/zinc/37/21/12/167372112.db2.gz DMRBUNMKBGKYPS-SNVBAGLBSA-N -1 3 244.335 0.944 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C2CNC2)sc1C ZINC000309639858 410973252 /nfs/dbraw/zinc/97/32/52/410973252.db2.gz OCLJKZBMVWMECM-UHFFFAOYSA-N -1 3 247.345 0.010 20 0 BCADHM CCN(CC)CC(=O)NC1(CC(=O)[O-])CCC1 ZINC000653321483 411004133 /nfs/dbraw/zinc/00/41/33/411004133.db2.gz RBWMYTXYDXDLDI-UHFFFAOYSA-N -1 3 242.319 0.842 20 0 BCADHM CCCN(C)CC(=O)N(CC(=O)[O-])CC1CC1 ZINC000653325384 411138030 /nfs/dbraw/zinc/13/80/30/411138030.db2.gz YCMIHOSNCZWSEH-UHFFFAOYSA-N -1 3 242.319 0.651 20 0 BCADHM CCCN(C)CC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655563765 411151839 /nfs/dbraw/zinc/15/18/39/411151839.db2.gz AFBHDDCYKNFQLK-SNVBAGLBSA-N -1 3 244.335 0.801 20 0 BCADHM C[C@H]1C[C@@H](Nc2ccncc2C(=O)[O-])CO1 ZINC000401926764 411175225 /nfs/dbraw/zinc/17/52/25/411175225.db2.gz IJNLQQJXPWQEBD-JGVFFNPUSA-N -1 3 222.244 0.791 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)S(C)(=O)=O)n1 ZINC000124422101 411199204 /nfs/dbraw/zinc/19/92/04/411199204.db2.gz RPNABKIVUOXBCF-LURJTMIESA-N -1 3 216.262 0.184 20 0 BCADHM O=C([O-])[C@H]1COCCN1CC1CC=CC1 ZINC000659785785 411271346 /nfs/dbraw/zinc/27/13/46/411271346.db2.gz IJUSYWVPDZPMHQ-SNVBAGLBSA-N -1 3 211.261 0.738 20 0 BCADHM O=C([O-])CN(C[C@@H](O)C(F)(F)F)C1CCC1 ZINC000659792725 411285135 /nfs/dbraw/zinc/28/51/35/411285135.db2.gz ZICIKYDGSRZHRR-SSDOTTSWSA-N -1 3 241.209 0.849 20 0 BCADHM O=C(N[C@]12C[C@H]1CCCC2)c1c[n-]nn1 ZINC000634079606 411294955 /nfs/dbraw/zinc/29/49/55/411294955.db2.gz HIVTZZGUUUYENY-GMSGAONNSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(N[C@]12C[C@H]1CCCC2)c1cnn[n-]1 ZINC000634079606 411294959 /nfs/dbraw/zinc/29/49/59/411294959.db2.gz HIVTZZGUUUYENY-GMSGAONNSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(N[C@]12C[C@H]1CCCC2)c1cn[n-]n1 ZINC000634079606 411294962 /nfs/dbraw/zinc/29/49/62/411294962.db2.gz HIVTZZGUUUYENY-GMSGAONNSA-N -1 3 206.249 0.867 20 0 BCADHM O=C([O-])C1(NCc2cnn3c2CCC3)CC1 ZINC000656564184 411302308 /nfs/dbraw/zinc/30/23/08/411302308.db2.gz FAXMGRNFJOLOQO-UHFFFAOYSA-N -1 3 221.260 0.536 20 0 BCADHM O=C([O-])C1(NCc2cnn3c2CCC3)CCC1 ZINC000656571426 411304248 /nfs/dbraw/zinc/30/42/48/411304248.db2.gz BMQBBSRBPCGBNV-UHFFFAOYSA-N -1 3 235.287 0.926 20 0 BCADHM C[C@@H](CCO)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000652958933 411364300 /nfs/dbraw/zinc/36/43/00/411364300.db2.gz VBKHADYEQJXBCA-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM C[C@@H](CCO)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000652958933 411364303 /nfs/dbraw/zinc/36/43/03/411364303.db2.gz VBKHADYEQJXBCA-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM C[C@@H](CCO)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000652958933 411364307 /nfs/dbraw/zinc/36/43/07/411364307.db2.gz VBKHADYEQJXBCA-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM CC1(C)[C@H](Nc2nc3nncc-3c(O)[n-]2)C[C@@H]1O ZINC000275055164 168002868 /nfs/dbraw/zinc/00/28/68/168002868.db2.gz UPEKIQULSJPHJY-RQJHMYQMSA-N -1 3 249.274 0.630 20 0 BCADHM Cc1nn(C)cc1CN1CC2CC1(C(=O)[O-])C2 ZINC000656760960 411345449 /nfs/dbraw/zinc/34/54/49/411345449.db2.gz NJOYAPLBVIFAMW-UHFFFAOYSA-N -1 3 235.287 0.778 20 0 BCADHM CC1(CC[N-]S(=O)(=O)c2c[nH]cn2)CC1 ZINC000359781588 168022260 /nfs/dbraw/zinc/02/22/60/168022260.db2.gz DWRDRRXPTUBGJN-UHFFFAOYSA-N -1 3 229.305 0.878 20 0 BCADHM CC1(CNC(=O)c2ccc3n[n-]nc3c2)COC1 ZINC000083522654 168037461 /nfs/dbraw/zinc/03/74/61/168037461.db2.gz VSYJTQZJALCJGQ-UHFFFAOYSA-N -1 3 246.270 0.724 20 0 BCADHM CCC(C)(C)CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000192225882 168279688 /nfs/dbraw/zinc/27/96/88/168279688.db2.gz HEBUTZJBCXTJQE-ZETCQYMHSA-N -1 3 241.291 0.137 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCc1ncc[nH]1 ZINC000579987308 411394879 /nfs/dbraw/zinc/39/48/79/411394879.db2.gz RLROZZBZSSJMQN-UHFFFAOYSA-N -1 3 232.243 0.369 20 0 BCADHM O=S(=O)([N-]C/C=C\CO)c1cccs1 ZINC000657084627 411404776 /nfs/dbraw/zinc/40/47/76/411404776.db2.gz KMFVQVPJTIWFAK-UPHRSURJSA-N -1 3 233.314 0.575 20 0 BCADHM CC(C)(F)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000657141853 411409852 /nfs/dbraw/zinc/40/98/52/411409852.db2.gz SPHDRUDDNSTNEA-UHFFFAOYSA-N -1 3 235.284 0.826 20 0 BCADHM C[C@@H]1SCC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000307752946 411484290 /nfs/dbraw/zinc/48/42/90/411484290.db2.gz UFJYGXSCXIFGGY-WDSKDSINSA-N -1 3 212.278 0.429 20 0 BCADHM C[C@@H]1SCC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000307752946 411484292 /nfs/dbraw/zinc/48/42/92/411484292.db2.gz UFJYGXSCXIFGGY-WDSKDSINSA-N -1 3 212.278 0.429 20 0 BCADHM C[C@@H]1SCC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000307752946 411484294 /nfs/dbraw/zinc/48/42/94/411484294.db2.gz UFJYGXSCXIFGGY-WDSKDSINSA-N -1 3 212.278 0.429 20 0 BCADHM C[C@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)C(=O)[O-] ZINC000655561298 411510704 /nfs/dbraw/zinc/51/07/04/411510704.db2.gz YXWSVXUAIIATJX-OPRDCNLKSA-N -1 3 242.319 0.696 20 0 BCADHM CCN1C[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C[C@@H]1C ZINC000341126720 170027510 /nfs/dbraw/zinc/02/75/10/170027510.db2.gz LQQBIIMUVSSHFA-DTWKUNHWSA-N -1 3 239.323 0.425 20 0 BCADHM CCNC(=O)CC(=O)Nc1ccc([O-])cc1F ZINC000356910087 170048550 /nfs/dbraw/zinc/04/85/50/170048550.db2.gz DEBXCOKRBFNTOT-UHFFFAOYSA-N -1 3 240.234 0.996 20 0 BCADHM CCNC(=O)CNC(=O)c1cccc(C)c1[O-] ZINC000035141145 170064010 /nfs/dbraw/zinc/06/40/10/170064010.db2.gz MWXFRXXXRWNOFH-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM CC[N-]S(=O)(=O)c1cnc(C)s1 ZINC000229627565 170136866 /nfs/dbraw/zinc/13/68/66/170136866.db2.gz JSMUEIASBQAWRZ-UHFFFAOYSA-N -1 3 206.292 0.750 20 0 BCADHM CCOC(=O)CC[N-]C(=O)C(F)(F)C(F)F ZINC000226617303 170207284 /nfs/dbraw/zinc/20/72/84/170207284.db2.gz XUDZSJILUGGOSM-UHFFFAOYSA-N -1 3 245.172 0.956 20 0 BCADHM CCOC(=O)[C@@H](CC)SCc1nc(=O)[n-][nH]1 ZINC000280050534 170250999 /nfs/dbraw/zinc/25/09/99/170250999.db2.gz YBEOSPFZXOBAJG-ZCFIWIBFSA-N -1 3 245.304 0.673 20 0 BCADHM CCOCCN1CCN([C@H](C)C(=O)[O-])CC1 ZINC000051659382 170399695 /nfs/dbraw/zinc/39/96/95/170399695.db2.gz BCMJIXOASBSQQR-SNVBAGLBSA-N -1 3 230.308 0.114 20 0 BCADHM O=C([N-]c1nc2ccccn2n1)c1cncnc1 ZINC000546183409 411630874 /nfs/dbraw/zinc/63/08/74/411630874.db2.gz GFLIXEHUCKMUQQ-UHFFFAOYSA-N -1 3 240.226 0.772 20 0 BCADHM c1nnc([N-]Cc2cc(-c3cccnc3)n[nH]2)o1 ZINC000351570020 411705583 /nfs/dbraw/zinc/70/55/83/411705583.db2.gz UQJBKCDCDYCEBV-UHFFFAOYSA-N -1 3 242.242 1.467 20 0 BCADHM COCCCCN(C)Cc1n[n-]c(=O)o1 ZINC000660841287 411654100 /nfs/dbraw/zinc/65/41/00/411654100.db2.gz DCPCBYSDPGXZCT-UHFFFAOYSA-N -1 3 215.253 0.634 20 0 BCADHM CN(CCN1CCCCC1)Cc1n[n-]c(=O)o1 ZINC000660845077 411655755 /nfs/dbraw/zinc/65/57/55/411655755.db2.gz ITQFGEWNHLTCHE-UHFFFAOYSA-N -1 3 240.307 0.693 20 0 BCADHM CO[C@@]1(C[N-]c2nnc(C(F)F)o2)CCOC1 ZINC000580270644 411673421 /nfs/dbraw/zinc/67/34/21/411673421.db2.gz KJCJYIYCDLKBTI-SECBINFHSA-N -1 3 249.217 1.225 20 0 BCADHM Cn1[n-]c(CN2C[C@@H]3CCCC[C@@H]32)nc1=O ZINC000660933090 411683974 /nfs/dbraw/zinc/68/39/74/411683974.db2.gz HVINMHHGZJFLBN-IUCAKERBSA-N -1 3 222.292 0.483 20 0 BCADHM CCOC(=O)c1cc(NC(=O)C23CC(C2)C3)n[n-]1 ZINC000599738327 411685955 /nfs/dbraw/zinc/68/59/55/411685955.db2.gz UXOFJAZSELWQKV-UHFFFAOYSA-N -1 3 249.270 1.325 20 0 BCADHM CCOC(=O)c1cc(NC(=O)C23CC(C2)C3)[n-]n1 ZINC000599738327 411685959 /nfs/dbraw/zinc/68/59/59/411685959.db2.gz UXOFJAZSELWQKV-UHFFFAOYSA-N -1 3 249.270 1.325 20 0 BCADHM Cn1[n-]c([C@@H]2CCCN2c2ncccn2)nc1=N ZINC000663961015 411791635 /nfs/dbraw/zinc/79/16/35/411791635.db2.gz BJPFYGKMZJKVOK-QMMMGPOBSA-N -1 3 245.290 0.359 20 0 BCADHM Cc1conc1[N-]C(=O)c1cn(C(C)C)nn1 ZINC000343210248 411746216 /nfs/dbraw/zinc/74/62/16/411746216.db2.gz ANFJKCBTXKYFFH-UHFFFAOYSA-N -1 3 235.247 1.408 20 0 BCADHM CC[C@H](C)n1nc(NC(=O)c2nnc[n-]2)cc1C ZINC000330678094 411748459 /nfs/dbraw/zinc/74/84/59/411748459.db2.gz BYWGYBDCQADIHS-ZETCQYMHSA-N -1 3 248.290 1.533 20 0 BCADHM CC[C@H](C)n1nc(NC(=O)c2nc[n-]n2)cc1C ZINC000330678094 411748463 /nfs/dbraw/zinc/74/84/63/411748463.db2.gz BYWGYBDCQADIHS-ZETCQYMHSA-N -1 3 248.290 1.533 20 0 BCADHM CCS(=O)(=O)[N-][C@H](C(=O)OC)C(C)C ZINC000035160048 170620115 /nfs/dbraw/zinc/62/01/15/170620115.db2.gz UKKFVCXDXYIIFD-ZETCQYMHSA-N -1 3 223.294 0.123 20 0 BCADHM COc1ccnc(C[N-]c2nnc(C)o2)n1 ZINC000425262754 411764074 /nfs/dbraw/zinc/76/40/74/411764074.db2.gz INBIHSUXLNDOSE-UHFFFAOYSA-N -1 3 221.220 0.789 20 0 BCADHM CCc1cc([N-]C(=O)c2ncc(OC)cn2)no1 ZINC000645541905 411765954 /nfs/dbraw/zinc/76/59/54/411765954.db2.gz BMYSQKCZIBCJIU-UHFFFAOYSA-N -1 3 248.242 1.288 20 0 BCADHM Cc1ncoc1C(=O)[N-]c1nc2ccccn2n1 ZINC000342656138 411789053 /nfs/dbraw/zinc/78/90/53/411789053.db2.gz ZVFSJHUBEKOEJJ-UHFFFAOYSA-N -1 3 243.226 1.278 20 0 BCADHM CCSc1nnc2[n-]c(=O)c(C)nn21 ZINC000106404506 170658450 /nfs/dbraw/zinc/65/84/50/170658450.db2.gz MXNIPVIWWXYZCJ-UHFFFAOYSA-N -1 3 211.250 0.645 20 0 BCADHM CC(C)(C)c1nc([N-][C@H]2CCNC2=O)no1 ZINC000664135157 411866020 /nfs/dbraw/zinc/86/60/20/411866020.db2.gz PPIXPOKSDYBVSB-LURJTMIESA-N -1 3 224.264 0.668 20 0 BCADHM C[C@@H]([N-]c1nnc(C2CC2)o1)c1ncn(C)n1 ZINC000342987995 411832575 /nfs/dbraw/zinc/83/25/75/411832575.db2.gz IGZMIWXRJOAVHG-ZCFIWIBFSA-N -1 3 234.263 1.249 20 0 BCADHM C[C@@H]1CCc2onc(C(=O)[N-]c3nc[nH]n3)c2C1 ZINC000567211223 411838079 /nfs/dbraw/zinc/83/80/79/411838079.db2.gz QVIJVXIQBCDRKM-ZCFIWIBFSA-N -1 3 247.258 1.170 20 0 BCADHM Nc1nc(=NC2CC(F)(F)C2)nc2[nH][n-]cc1-2 ZINC000579306959 411921926 /nfs/dbraw/zinc/92/19/26/411921926.db2.gz GDXFLLRQKODFCD-UHFFFAOYSA-N -1 3 240.217 0.518 20 0 BCADHM Nc1nc(NC[C@H]2CCCCO2)nc2[n-]ncc21 ZINC000546898986 411923854 /nfs/dbraw/zinc/92/38/54/411923854.db2.gz HBQMYVFHMQBERR-SSDOTTSWSA-N -1 3 248.290 0.290 20 0 BCADHM Nc1nc(=N[C@H]2CCC[C@@H]3C[C@@H]32)nc2[nH][n-]cc1-2 ZINC000570686314 411928457 /nfs/dbraw/zinc/92/84/57/411928457.db2.gz NGNOBASJTRZFMA-FJXKBIBVSA-N -1 3 244.302 0.909 20 0 BCADHM Cc1cnc(CN=c2nc3[nH][n-]cc-3c(N)n2)o1 ZINC000362636711 411934751 /nfs/dbraw/zinc/93/47/51/411934751.db2.gz NRXYNYILWXOMFR-UHFFFAOYSA-N -1 3 245.246 0.217 20 0 BCADHM CC(C)C[C@H](C)N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354598789 411871499 /nfs/dbraw/zinc/87/14/99/411871499.db2.gz IPWQDSAYIKGODK-ZETCQYMHSA-N -1 3 234.307 1.155 20 0 BCADHM CC(C)C[C@@H]1C[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000570614337 411872176 /nfs/dbraw/zinc/87/21/76/411872176.db2.gz HKMBRSPAKUPCCT-VXNVDRBHSA-N -1 3 246.318 1.155 20 0 BCADHM Nc1nnc(CCNC(=O)c2ccccc2[O-])o1 ZINC000436988120 411952066 /nfs/dbraw/zinc/95/20/66/411952066.db2.gz KZJUDRHVMUGGGV-UHFFFAOYSA-N -1 3 248.242 0.330 20 0 BCADHM CC[C@@H]1CCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662201348 412024166 /nfs/dbraw/zinc/02/41/66/412024166.db2.gz IARJSHIZJPAAFD-NXEZZACHSA-N -1 3 240.303 0.546 20 0 BCADHM CC(C)CN(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662203890 412024268 /nfs/dbraw/zinc/02/42/68/412024268.db2.gz SABVGVFVXWCWMR-VIFPVBQESA-N -1 3 228.292 0.260 20 0 BCADHM C[C@H]1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662201493 412025076 /nfs/dbraw/zinc/02/50/76/412025076.db2.gz TVBUIQPXXMNTJL-UWVGGRQHSA-N -1 3 240.303 0.404 20 0 BCADHM CCC[C@@H](C)N(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662205699 412025651 /nfs/dbraw/zinc/02/56/51/412025651.db2.gz ZGVHKBFPLAJWBS-NXEZZACHSA-N -1 3 242.319 0.792 20 0 BCADHM C[C@@H]1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)[C@H]1C ZINC000662206211 412025749 /nfs/dbraw/zinc/02/57/49/412025749.db2.gz PHXMMLFOLVNJFW-KXUCPTDWSA-N -1 3 240.303 0.402 20 0 BCADHM CC[C@H](C)CN(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662206458 412026381 /nfs/dbraw/zinc/02/63/81/412026381.db2.gz PWLWDRCDGHMDCP-VHSXEESVSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@H](C)N(CC)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662212950 412026859 /nfs/dbraw/zinc/02/68/59/412026859.db2.gz RCYSVMRFRAVTDS-VHSXEESVSA-N -1 3 242.319 0.792 20 0 BCADHM CCCN(C1CC1)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662212385 412027774 /nfs/dbraw/zinc/02/77/74/412027774.db2.gz WKTOIJUVIWXXQW-JTQLQIEISA-N -1 3 240.303 0.546 20 0 BCADHM CC[C@@H]1CC[C@@H](C)N(CC(=O)NCC(=O)[O-])C1 ZINC000662222108 412031004 /nfs/dbraw/zinc/03/10/04/412031004.db2.gz FGAFFLKCHCPCFY-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@@H]1CO[C@@H](C)CN1CCC(=O)[O-] ZINC000044383290 171109790 /nfs/dbraw/zinc/10/97/90/171109790.db2.gz AVQDNGODWRSTRQ-DTWKUNHWSA-N -1 3 201.266 0.960 20 0 BCADHM CC[C@H](C(=O)Nc1nn[n-]n1)N(CC)CC ZINC000346228783 171235305 /nfs/dbraw/zinc/23/53/05/171235305.db2.gz WCRFWWYUDKKCAO-SSDOTTSWSA-N -1 3 226.284 0.259 20 0 BCADHM CC[C@H](C(=O)Nc1nnn[n-]1)N(CC)CC ZINC000346228783 171235307 /nfs/dbraw/zinc/23/53/07/171235307.db2.gz WCRFWWYUDKKCAO-SSDOTTSWSA-N -1 3 226.284 0.259 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-][C@@H](C)C(=O)OC ZINC000117905957 171292564 /nfs/dbraw/zinc/29/25/64/171292564.db2.gz QEYLLSMHBLUCIO-YUMQZZPRSA-N -1 3 237.321 0.513 20 0 BCADHM CC[C@H](C)OCC(=O)[N-]c1nncn1C ZINC000163096344 171355072 /nfs/dbraw/zinc/35/50/72/171355072.db2.gz QSMMURSKIIXLGW-ZETCQYMHSA-N -1 3 212.253 0.569 20 0 BCADHM CC[C@H](C)[C@H](C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000179611269 171386762 /nfs/dbraw/zinc/38/67/62/171386762.db2.gz AUFNCLYOMPDGLN-FXQIFTODSA-N -1 3 241.291 0.135 20 0 BCADHM Cc1ccc(NC(=O)[C@H]2CCNC2=O)c([O-])c1 ZINC000665202680 412136364 /nfs/dbraw/zinc/13/63/64/412136364.db2.gz LRIAEQYTXYJYME-QMMMGPOBSA-N -1 3 234.255 0.775 20 0 BCADHM O=C(C[N-]c1nnc(C2CC2)o1)N1CCCC1 ZINC000552911182 412318417 /nfs/dbraw/zinc/31/84/17/412318417.db2.gz OFAUYXIFLATGDO-UHFFFAOYSA-N -1 3 236.275 0.981 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)nc(C)n1 ZINC000548691780 412333945 /nfs/dbraw/zinc/33/39/45/412333945.db2.gz QAVHECPSEKEQQJ-JTQLQIEISA-N -1 3 247.302 1.017 20 0 BCADHM Cc1c[nH]nc1NC(=O)[N-]c1cnns1 ZINC000351563202 412298978 /nfs/dbraw/zinc/29/89/78/412298978.db2.gz ZSWZKIAUJZNDSV-UHFFFAOYSA-N -1 3 224.249 1.214 20 0 BCADHM Cc1cc(C(=O)Nc2ncn(C)n2)ccc1[O-] ZINC000349423555 412305020 /nfs/dbraw/zinc/30/50/20/412305020.db2.gz CNKGQAVBFTXHDB-UHFFFAOYSA-N -1 3 232.243 1.081 20 0 BCADHM CC[C@@H](N)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000663281199 412409441 /nfs/dbraw/zinc/40/94/41/412409441.db2.gz DPYWUNNUUWORNS-MRVPVSSYSA-N -1 3 230.308 0.683 20 0 BCADHM C[C@H](N)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000663282128 412409453 /nfs/dbraw/zinc/40/94/53/412409453.db2.gz SCJCHJRWSRTJGC-ZETCQYMHSA-N -1 3 216.281 0.293 20 0 BCADHM CCc1nnc([C@H](C)[N-]C(=O)C(F)F)[nH]1 ZINC000280008256 172005868 /nfs/dbraw/zinc/00/58/68/172005868.db2.gz XCYFHENOFYNZQC-BYPYZUCNSA-N -1 3 218.207 0.809 20 0 BCADHM CCc1nn(C)cc1NC(=O)c1cnn[n-]1 ZINC000222993422 172042847 /nfs/dbraw/zinc/04/28/47/172042847.db2.gz IRADUNXHZUNGKX-UHFFFAOYSA-N -1 3 220.236 0.353 20 0 BCADHM CCc1nn(C)cc1NC(=O)c1c[n-]nn1 ZINC000222993422 172042848 /nfs/dbraw/zinc/04/28/48/172042848.db2.gz IRADUNXHZUNGKX-UHFFFAOYSA-N -1 3 220.236 0.353 20 0 BCADHM CCc1nn(C)cc1NC(=O)c1cn[n-]n1 ZINC000222993422 172042850 /nfs/dbraw/zinc/04/28/50/172042850.db2.gz IRADUNXHZUNGKX-UHFFFAOYSA-N -1 3 220.236 0.353 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CC2CC2)n1 ZINC000152000920 172061576 /nfs/dbraw/zinc/06/15/76/172061576.db2.gz CAXVSEFUTKCNCD-UHFFFAOYSA-N -1 3 215.278 0.551 20 0 BCADHM CCc1nnc(S(=O)(=O)CC2CC2)[n-]1 ZINC000152000920 172061577 /nfs/dbraw/zinc/06/15/77/172061577.db2.gz CAXVSEFUTKCNCD-UHFFFAOYSA-N -1 3 215.278 0.551 20 0 BCADHM CCc1nnsc1C(=O)[N-]c1n[nH]c(C)n1 ZINC000112702803 172071581 /nfs/dbraw/zinc/07/15/81/172071581.db2.gz ISVSKFSOIXCWRY-UHFFFAOYSA-N -1 3 238.276 0.779 20 0 BCADHM CCn1c(=O)[n-]nc1SC[C@@H]1COCCO1 ZINC000329255924 172145749 /nfs/dbraw/zinc/14/57/49/172145749.db2.gz XIYOJGUAOGFPNU-ZETCQYMHSA-N -1 3 245.304 0.511 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]CC[C@H](C)F)cn1 ZINC000339035444 172191332 /nfs/dbraw/zinc/19/13/32/172191332.db2.gz OQUQNNHNCMXXGE-QMMMGPOBSA-N -1 3 249.311 0.929 20 0 BCADHM CCn1cnnc1CNC(=O)c1cccc([O-])c1 ZINC000227555252 172234693 /nfs/dbraw/zinc/23/46/93/172234693.db2.gz JXTSNAZPODAKSI-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM CCn1cnnc1[N-]C(=O)COCC1CC1 ZINC000285889229 172238044 /nfs/dbraw/zinc/23/80/44/172238044.db2.gz RHQYRDATAZLRPA-UHFFFAOYSA-N -1 3 224.264 0.663 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@]1(O)CCSC1 ZINC000285634811 172239793 /nfs/dbraw/zinc/23/97/93/172239793.db2.gz DAVRXAKQAGJMQE-VIFPVBQESA-N -1 3 242.304 0.105 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H]1CCCO1 ZINC000285949312 172240261 /nfs/dbraw/zinc/24/02/61/172240261.db2.gz VJHZEVUEJUHAQI-SSDOTTSWSA-N -1 3 210.237 0.416 20 0 BCADHM CN(C(=O)CN1CC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000062133334 172309177 /nfs/dbraw/zinc/30/91/77/172309177.db2.gz RWSSLMTUDIGVQJ-MRVPVSSYSA-N -1 3 226.276 0.014 20 0 BCADHM CN1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000227451424 173031151 /nfs/dbraw/zinc/03/11/51/173031151.db2.gz VXOWISSOOYLCJG-SECBINFHSA-N -1 3 235.287 0.611 20 0 BCADHM CN1CCC[C@]2(CCN(C(=O)C(=O)[O-])C2)C1 ZINC000331688751 173063049 /nfs/dbraw/zinc/06/30/49/173063049.db2.gz SSMDPKIZAXQLFH-NSHDSACASA-N -1 3 226.276 0.015 20 0 BCADHM CN1CCO[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000081932556 173099713 /nfs/dbraw/zinc/09/97/13/173099713.db2.gz LVNWMXJPLNPDPQ-LLVKDONJSA-N -1 3 236.271 0.661 20 0 BCADHM CN(C(=O)c1cccc([O-])c1)[C@@H]1CCN(C)C1=O ZINC000272712509 173117123 /nfs/dbraw/zinc/11/71/23/173117123.db2.gz FGKBAEPHPFGCIK-LLVKDONJSA-N -1 3 248.282 0.695 20 0 BCADHM CN1C[C@H]([N-]c2nnc(C(F)F)o2)CC1=O ZINC000292572678 173196531 /nfs/dbraw/zinc/19/65/31/173196531.db2.gz TUEXOQMOEWBXRZ-SCSAIBSYSA-N -1 3 232.190 0.650 20 0 BCADHM CNC(=O)CCNC(=O)c1ccccc1[O-] ZINC000044427630 173258509 /nfs/dbraw/zinc/25/85/09/173258509.db2.gz MMYYABMFQAHEQB-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM CNC(=O)[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000042350868 173302455 /nfs/dbraw/zinc/30/24/55/173302455.db2.gz UVCXLDJDUUQHQQ-QMMMGPOBSA-N -1 3 236.271 0.565 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)CCC(C)C ZINC000297687431 173314890 /nfs/dbraw/zinc/31/48/90/173314890.db2.gz IJDHHKBMWVNCAD-UHFFFAOYSA-N -1 3 239.279 0.539 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)CCC(C)C ZINC000297687431 173314891 /nfs/dbraw/zinc/31/48/91/173314891.db2.gz IJDHHKBMWVNCAD-UHFFFAOYSA-N -1 3 239.279 0.539 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)CCC(C)C ZINC000297687431 173314892 /nfs/dbraw/zinc/31/48/92/173314892.db2.gz IJDHHKBMWVNCAD-UHFFFAOYSA-N -1 3 239.279 0.539 20 0 BCADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1CC(=O)N(C)C ZINC000662225375 487626525 /nfs/dbraw/zinc/62/65/25/487626525.db2.gz HQEJQXGRUWKHSS-UTLUCORTSA-N -1 3 242.319 0.648 20 0 BCADHM COCC(=O)[N-]c1nncn1-c1cccnc1 ZINC000377187385 174061281 /nfs/dbraw/zinc/06/12/81/174061281.db2.gz YMOQQEMCLHJBAX-UHFFFAOYSA-N -1 3 233.231 0.247 20 0 BCADHM COCC1(C(=O)Nc2nnc(OC)[n-]2)CCC1 ZINC000285781233 174090613 /nfs/dbraw/zinc/09/06/13/174090613.db2.gz WVWICYNGSDQXMJ-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COCC1(C(=O)Nc2n[n-]c(OC)n2)CCC1 ZINC000285781233 174090615 /nfs/dbraw/zinc/09/06/15/174090615.db2.gz WVWICYNGSDQXMJ-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COCC1(C(=O)Nc2nc(OC)n[n-]2)CCC1 ZINC000285781233 174090618 /nfs/dbraw/zinc/09/06/18/174090618.db2.gz WVWICYNGSDQXMJ-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COCCC(C)(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000352978082 174147609 /nfs/dbraw/zinc/14/76/09/174147609.db2.gz SSZBDNXDNSGQQT-UHFFFAOYSA-N -1 3 247.320 0.503 20 0 BCADHM COCCCO[N-]C(=O)Cc1cnn(C)c1C ZINC000293953433 174255148 /nfs/dbraw/zinc/25/51/48/174255148.db2.gz IWAJELSYFBFYKF-UHFFFAOYSA-N -1 3 241.291 0.355 20 0 BCADHM COCCNC(=O)c1c[n-]c2ccncc2c1=O ZINC000340755507 174327872 /nfs/dbraw/zinc/32/78/72/174327872.db2.gz XFECOMPUDAZSRP-UHFFFAOYSA-N -1 3 247.254 0.299 20 0 BCADHM COc1ccc([O-])c(C(=O)NC(C)(C)CO)c1 ZINC000035607968 175157282 /nfs/dbraw/zinc/15/72/82/175157282.db2.gz QFLJMBORROPVAM-UHFFFAOYSA-N -1 3 239.271 0.902 20 0 BCADHM COc1ccc([O-])c(C(=O)NC[C@H](C)CO)c1 ZINC000086626950 175158169 /nfs/dbraw/zinc/15/81/69/175158169.db2.gz HFLIVQNFDJMQEX-QMMMGPOBSA-N -1 3 239.271 0.759 20 0 BCADHM COc1cccc(C(=O)N[C@@H](C)C(N)=O)c1[O-] ZINC000035149295 175245121 /nfs/dbraw/zinc/24/51/21/175245121.db2.gz MACCMZAKTALAQU-LURJTMIESA-N -1 3 238.243 0.004 20 0 BCADHM COc1cccc(C(=O)N[C@H](C)CCO)c1[O-] ZINC000123517446 175246151 /nfs/dbraw/zinc/24/61/51/175246151.db2.gz FIVDHBCGHVDRHK-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM COc1ccnc([O-])c1C(=O)N=c1cc[nH]cc1 ZINC000357315912 175368823 /nfs/dbraw/zinc/36/88/23/175368823.db2.gz MQZLPSUCYGFXAA-UHFFFAOYSA-N -1 3 245.238 0.865 20 0 BCADHM COc1nnc(NC(=O)C2=COCCC2)[n-]1 ZINC000182984901 175393868 /nfs/dbraw/zinc/39/38/68/175393868.db2.gz AESLMLYNYAHJHQ-UHFFFAOYSA-N -1 3 224.220 0.446 20 0 BCADHM COc1nc(NC(=O)C2=COCCC2)n[n-]1 ZINC000182984901 175393869 /nfs/dbraw/zinc/39/38/69/175393869.db2.gz AESLMLYNYAHJHQ-UHFFFAOYSA-N -1 3 224.220 0.446 20 0 BCADHM COc1n[n-]c(NC(=O)C2=COCCC2)n1 ZINC000182984901 175393870 /nfs/dbraw/zinc/39/38/70/175393870.db2.gz AESLMLYNYAHJHQ-UHFFFAOYSA-N -1 3 224.220 0.446 20 0 BCADHM COc1nnc(NC(=O)C2(CCF)CC2)[n-]1 ZINC000291809139 175393991 /nfs/dbraw/zinc/39/39/91/175393991.db2.gz ZZNIQRKTSWIVHS-UHFFFAOYSA-N -1 3 228.227 0.892 20 0 BCADHM COc1nc(NC(=O)C2(CCF)CC2)n[n-]1 ZINC000291809139 175393993 /nfs/dbraw/zinc/39/39/93/175393993.db2.gz ZZNIQRKTSWIVHS-UHFFFAOYSA-N -1 3 228.227 0.892 20 0 BCADHM COc1n[n-]c(NC(=O)C2(CCF)CC2)n1 ZINC000291809139 175393995 /nfs/dbraw/zinc/39/39/95/175393995.db2.gz ZZNIQRKTSWIVHS-UHFFFAOYSA-N -1 3 228.227 0.892 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCCS2)[n-]1 ZINC000129438619 175394040 /nfs/dbraw/zinc/39/40/40/175394040.db2.gz HLOWGTPUYHBAPF-RXMQYKEDSA-N -1 3 228.277 0.647 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCCS2)n[n-]1 ZINC000129438619 175394042 /nfs/dbraw/zinc/39/40/42/175394042.db2.gz HLOWGTPUYHBAPF-RXMQYKEDSA-N -1 3 228.277 0.647 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCCS2)n1 ZINC000129438619 175394043 /nfs/dbraw/zinc/39/40/43/175394043.db2.gz HLOWGTPUYHBAPF-RXMQYKEDSA-N -1 3 228.277 0.647 20 0 BCADHM COc1nnc(NC(=O)CC[C@@H]2CCOC2)[n-]1 ZINC000182982807 175394116 /nfs/dbraw/zinc/39/41/16/175394116.db2.gz DBIZYSRPLQEXOX-SSDOTTSWSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nc(NC(=O)CC[C@@H]2CCOC2)n[n-]1 ZINC000182982807 175394118 /nfs/dbraw/zinc/39/41/18/175394118.db2.gz DBIZYSRPLQEXOX-SSDOTTSWSA-N -1 3 240.263 0.569 20 0 BCADHM COc1n[n-]c(NC(=O)CC[C@@H]2CCOC2)n1 ZINC000182982807 175394120 /nfs/dbraw/zinc/39/41/20/175394120.db2.gz DBIZYSRPLQEXOX-SSDOTTSWSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)[n-]1 ZINC000282262326 175394411 /nfs/dbraw/zinc/39/44/11/175394411.db2.gz BZORXKNGMHLAMF-DSYKOEDSSA-N -1 3 240.263 0.565 20 0 BCADHM COc1nc(NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)n[n-]1 ZINC000282262326 175394413 /nfs/dbraw/zinc/39/44/13/175394413.db2.gz BZORXKNGMHLAMF-DSYKOEDSSA-N -1 3 240.263 0.565 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)n1 ZINC000282262326 175394414 /nfs/dbraw/zinc/39/44/14/175394414.db2.gz BZORXKNGMHLAMF-DSYKOEDSSA-N -1 3 240.263 0.565 20 0 BCADHM COc1nnc(NC(=O)CCc2ccco2)[n-]1 ZINC000129364207 175394727 /nfs/dbraw/zinc/39/47/27/175394727.db2.gz JDIBIQZOGYQSHP-UHFFFAOYSA-N -1 3 236.231 0.978 20 0 BCADHM COc1nc(NC(=O)CCc2ccco2)n[n-]1 ZINC000129364207 175394728 /nfs/dbraw/zinc/39/47/28/175394728.db2.gz JDIBIQZOGYQSHP-UHFFFAOYSA-N -1 3 236.231 0.978 20 0 BCADHM COc1n[n-]c(NC(=O)CCc2ccco2)n1 ZINC000129364207 175394730 /nfs/dbraw/zinc/39/47/30/175394730.db2.gz JDIBIQZOGYQSHP-UHFFFAOYSA-N -1 3 236.231 0.978 20 0 BCADHM COc1nnc(NC(=O)c2cc(C)n(C)n2)[n-]1 ZINC000305502718 175394765 /nfs/dbraw/zinc/39/47/65/175394765.db2.gz GUEJMZKNSHWMLZ-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1nc(NC(=O)c2cc(C)n(C)n2)n[n-]1 ZINC000305502718 175394767 /nfs/dbraw/zinc/39/47/67/175394767.db2.gz GUEJMZKNSHWMLZ-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(C)n(C)n2)n1 ZINC000305502718 175394768 /nfs/dbraw/zinc/39/47/68/175394768.db2.gz GUEJMZKNSHWMLZ-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1nnc(NC(=O)C[C@](C)(O)C2CC2)[n-]1 ZINC000272557835 175395079 /nfs/dbraw/zinc/39/50/79/175395079.db2.gz UBDIHMIMWDOQMO-JTQLQIEISA-N -1 3 240.263 0.303 20 0 BCADHM COc1nc(NC(=O)C[C@](C)(O)C2CC2)n[n-]1 ZINC000272557835 175395081 /nfs/dbraw/zinc/39/50/81/175395081.db2.gz UBDIHMIMWDOQMO-JTQLQIEISA-N -1 3 240.263 0.303 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@](C)(O)C2CC2)n1 ZINC000272557835 175395083 /nfs/dbraw/zinc/39/50/83/175395083.db2.gz UBDIHMIMWDOQMO-JTQLQIEISA-N -1 3 240.263 0.303 20 0 BCADHM C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1[O-] ZINC000106359745 176046882 /nfs/dbraw/zinc/04/68/82/176046882.db2.gz XTWAXWRCPCMFMD-MRVPVSSYSA-N -1 3 234.255 0.353 20 0 BCADHM C[C@@H]1C(=O)NCCN1C(=O)c1csc(=O)[n-]1 ZINC000329954067 176047711 /nfs/dbraw/zinc/04/77/11/176047711.db2.gz ODVHQBQDJROULI-RXMQYKEDSA-N -1 3 241.272 0.650 20 0 BCADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000297889798 176060136 /nfs/dbraw/zinc/06/01/36/176060136.db2.gz VLZCGTIXLVVYFX-RNFRBKRXSA-N -1 3 249.274 0.444 20 0 BCADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000297889798 176060140 /nfs/dbraw/zinc/06/01/40/176060140.db2.gz VLZCGTIXLVVYFX-RNFRBKRXSA-N -1 3 249.274 0.444 20 0 BCADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000297889798 176060142 /nfs/dbraw/zinc/06/01/42/176060142.db2.gz VLZCGTIXLVVYFX-RNFRBKRXSA-N -1 3 249.274 0.444 20 0 BCADHM C[C@@H]1CCCN1C(=O)C(=O)[N-]c1cnns1 ZINC000192037064 176103950 /nfs/dbraw/zinc/10/39/50/176103950.db2.gz WLYQJNSXSKFBAF-ZCFIWIBFSA-N -1 3 240.288 0.488 20 0 BCADHM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1c[n-]nn1 ZINC000294487523 176134683 /nfs/dbraw/zinc/13/46/83/176134683.db2.gz XLRUDHPNNIJYSL-GMSGAONNSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cnn[n-]1 ZINC000294487523 176134684 /nfs/dbraw/zinc/13/46/84/176134684.db2.gz XLRUDHPNNIJYSL-GMSGAONNSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cn[n-]n1 ZINC000294487523 176134685 /nfs/dbraw/zinc/13/46/85/176134685.db2.gz XLRUDHPNNIJYSL-GMSGAONNSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000264333784 176150619 /nfs/dbraw/zinc/15/06/19/176150619.db2.gz UFKMHBRCXLJCOB-RKDXNWHRSA-N -1 3 243.332 0.887 20 0 BCADHM C[C@@H]1CC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000336752563 176235415 /nfs/dbraw/zinc/23/54/15/176235415.db2.gz GZTBDOSRHIWKHG-HTRCEHHLSA-N -1 3 203.249 0.937 20 0 BCADHM C[C@@H]1CN(C(=O)c2csc(=O)[n-]2)CCO1 ZINC000329277220 176265324 /nfs/dbraw/zinc/26/53/24/176265324.db2.gz JHQWNNWDBXTLBL-ZCFIWIBFSA-N -1 3 228.273 0.710 20 0 BCADHM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H](C)N1C ZINC000339615595 176312134 /nfs/dbraw/zinc/31/21/34/176312134.db2.gz LGHPTNBDAQBKHX-HTQZYQBOSA-N -1 3 225.296 0.035 20 0 BCADHM C[C@@H]1COCCN1C(=O)c1csc(=O)[n-]1 ZINC000329932289 176334622 /nfs/dbraw/zinc/33/46/22/176334622.db2.gz PJKLOZVZEVSZRI-ZCFIWIBFSA-N -1 3 228.273 0.710 20 0 BCADHM C[C@H]1CCCCN1Cc1nc(=O)n(C)[n-]1 ZINC000336435003 177076106 /nfs/dbraw/zinc/07/61/06/177076106.db2.gz NZSXYVUGCUWABC-QMMMGPOBSA-N -1 3 210.281 0.483 20 0 BCADHM C[C@@H]1CCC[C@H](C)N1CC(=O)NCC(=O)[O-] ZINC000033433882 177116135 /nfs/dbraw/zinc/11/61/35/177116135.db2.gz CUTSLQQDXJJRQZ-DTORHVGOSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@H]1CCN(S(=O)(=O)[N-]c2cncnc2)C1 ZINC000362225771 177169376 /nfs/dbraw/zinc/16/93/76/177169376.db2.gz VPHNIMUTTSRFLF-QMMMGPOBSA-N -1 3 242.304 0.475 20 0 BCADHM C[C@H]1CCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000336656581 177171809 /nfs/dbraw/zinc/17/18/09/177171809.db2.gz ICCKWIXAMBKAKR-LURJTMIESA-N -1 3 218.264 0.563 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@H]1O ZINC000357490210 177228501 /nfs/dbraw/zinc/22/85/01/177228501.db2.gz REHORNHZKVBHOX-GZMMTYOYSA-N -1 3 221.256 0.845 20 0 BCADHM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000277652830 177295453 /nfs/dbraw/zinc/29/54/53/177295453.db2.gz DTGIIDCGLIAGSZ-IUCAKERBSA-N -1 3 245.300 0.983 20 0 BCADHM C[C@H]1CSC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000306846391 177305715 /nfs/dbraw/zinc/30/57/15/177305715.db2.gz JYJDYGCEPFAKCW-FSPLSTOPSA-N -1 3 212.278 0.286 20 0 BCADHM C[C@H]1CSC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000306846391 177305712 /nfs/dbraw/zinc/30/57/12/177305712.db2.gz JYJDYGCEPFAKCW-FSPLSTOPSA-N -1 3 212.278 0.286 20 0 BCADHM C[C@H]1CSC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000306846391 177305713 /nfs/dbraw/zinc/30/57/13/177305713.db2.gz JYJDYGCEPFAKCW-FSPLSTOPSA-N -1 3 212.278 0.286 20 0 BCADHM O=C(/C=C/c1ccc(O)cc1)[N-]OCCO ZINC000492033302 225912116 /nfs/dbraw/zinc/91/21/16/225912116.db2.gz QNYZDWDPOVMYQJ-ZZXKWVIFSA-N -1 3 223.228 0.446 20 0 BCADHM NC(=O)CCCNC(=O)/C=C/c1cncc([O-])c1 ZINC000492521455 226012312 /nfs/dbraw/zinc/01/23/12/226012312.db2.gz PQKLVFKAPMELOY-ONEGZZNKSA-N -1 3 249.270 0.182 20 0 BCADHM COC[C@@H](C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492521915 226012531 /nfs/dbraw/zinc/01/25/31/226012531.db2.gz RRGJBTLYVVKURP-ZBJFTSOASA-N -1 3 236.271 0.952 20 0 BCADHM Cc1ccc(/C=C\C(=O)[N-]OCCO)o1 ZINC000492715054 226040705 /nfs/dbraw/zinc/04/07/05/226040705.db2.gz KHZIXRSPAHDNDM-PLNGDYQASA-N -1 3 211.217 0.641 20 0 BCADHM Cn1cnc(NC(=O)/C=C\c2cncc([O-])c2)n1 ZINC000493133529 226135717 /nfs/dbraw/zinc/13/57/17/226135717.db2.gz SSRRUJJBDMNBMU-IHWYPQMZSA-N -1 3 245.242 0.568 20 0 BCADHM C[C@@H]1CC[C@@](CO)(N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000495200866 226278595 /nfs/dbraw/zinc/27/85/95/226278595.db2.gz ILUCKFILRPNKOS-LDYMZIIASA-N -1 3 240.307 0.493 20 0 BCADHM Cn1ccc(/C=C\C(=O)[N-]O[C@H]2CCOC2)c1 ZINC000493842979 226256788 /nfs/dbraw/zinc/25/67/88/226256788.db2.gz IOXGHNGMIUATJM-QUCGXOGASA-N -1 3 236.271 0.875 20 0 BCADHM Cn1ccc(/C=C/C(=O)[N-]O[C@H]2CCOC2)c1 ZINC000493842980 226256841 /nfs/dbraw/zinc/25/68/41/226256841.db2.gz IOXGHNGMIUATJM-VUDBWIFFSA-N -1 3 236.271 0.875 20 0 BCADHM Cc1cnc(C(=O)NCc2cnc(C)[n-]c2=O)o1 ZINC000494371127 226264389 /nfs/dbraw/zinc/26/43/89/226264389.db2.gz WKWWZJJFWFERBY-UHFFFAOYSA-N -1 3 248.242 0.717 20 0 BCADHM C[C@H]1OC(=O)N[C@H]1C(=O)Nc1ccccc1[O-] ZINC000496460716 226305512 /nfs/dbraw/zinc/30/55/12/226305512.db2.gz SMJMTKRDDMWRLW-HZGVNTEJSA-N -1 3 236.227 0.828 20 0 BCADHM O=C(OC[C@@H]1CNC(=O)O1)c1cncc([O-])c1 ZINC000495780497 226288711 /nfs/dbraw/zinc/28/87/11/226288711.db2.gz ALBSCXRDWHSCTR-QMMMGPOBSA-N -1 3 238.199 0.052 20 0 BCADHM CC(C)[C@H](CNC(=O)[C@H]1CCCCN1)C(=O)[O-] ZINC000087513057 487665975 /nfs/dbraw/zinc/66/59/75/487665975.db2.gz FSYWNGQLNKYXKN-VHSXEESVSA-N -1 3 242.319 0.602 20 0 BCADHM N[C@H](C(=O)N(CC(=O)[O-])C1CCC1)C1CCC1 ZINC000653472020 487678114 /nfs/dbraw/zinc/67/81/14/487678114.db2.gz CYSNXJILQGXJIH-NSHDSACASA-N -1 3 240.303 0.580 20 0 BCADHM O=C(NCc1nnc[nH]1)c1ccc([O-])c(F)c1 ZINC000681025471 487701342 /nfs/dbraw/zinc/70/13/42/487701342.db2.gz RPYUAXIDNZZFCL-UHFFFAOYSA-N -1 3 236.206 0.579 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C2CC=CC2)c1 ZINC000675331282 487708887 /nfs/dbraw/zinc/70/88/87/487708887.db2.gz MWHAGEPQXDZGCN-UHFFFAOYSA-N -1 3 227.289 0.417 20 0 BCADHM COC[C@](C)(CO)NC(=O)c1cccc([O-])c1 ZINC000681073548 487713686 /nfs/dbraw/zinc/71/36/86/487713686.db2.gz CLXOVRSTPPSTSW-LBPRGKRZSA-N -1 3 239.271 0.519 20 0 BCADHM COC[C@@](C)(CO)NC(=O)c1cccc([O-])c1 ZINC000681073547 487713725 /nfs/dbraw/zinc/71/37/25/487713725.db2.gz CLXOVRSTPPSTSW-GFCCVEGCSA-N -1 3 239.271 0.519 20 0 BCADHM Cc1ccc([O-])c(CN2C[C@H](O)C[C@H]2CO)n1 ZINC000364323166 487752983 /nfs/dbraw/zinc/75/29/83/487752983.db2.gz IMPZMIQXXPRMDX-VHSXEESVSA-N -1 3 238.287 0.023 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]C1=NCCS1 ZINC000748548151 585193862 /nfs/dbraw/zinc/19/38/62/585193862.db2.gz SZYWRKSWWXRVHA-ZETCQYMHSA-N -1 3 213.306 0.300 20 0 BCADHM Cc1ncc(C(=O)Nc2ncccc2[O-])c(N)n1 ZINC000676209385 487821135 /nfs/dbraw/zinc/82/11/35/487821135.db2.gz YSEZKWYGWHCFSO-UHFFFAOYSA-N -1 3 245.242 0.720 20 0 BCADHM CC1CC(C(=O)N(CCN(C)C)CC(=O)[O-])C1 ZINC000676206696 487820837 /nfs/dbraw/zinc/82/08/37/487820837.db2.gz YOOSECQOVSENFG-UHFFFAOYSA-N -1 3 242.319 0.507 20 0 BCADHM C[C@@H]1CCNC(=O)[C@H]1[N-]C(=O)C(C)(F)F ZINC000808469982 586475712 /nfs/dbraw/zinc/47/57/12/586475712.db2.gz RIBHCMAKYRUUNG-RITPCOANSA-N -1 3 220.219 0.282 20 0 BCADHM CN(C[C@@H]1CCCN1CCO)C(=O)[O-] ZINC000828223288 587425085 /nfs/dbraw/zinc/42/50/85/587425085.db2.gz KRELAHIECRSQIA-QMMMGPOBSA-N -1 3 202.254 0.053 20 0 BCADHM CCC[C@@H](O)CC(=O)NCc1ncccc1[O-] ZINC000684350275 487840606 /nfs/dbraw/zinc/84/06/06/487840606.db2.gz JOHBUWHRMTWRKI-SECBINFHSA-N -1 3 238.287 0.955 20 0 BCADHM CCC[C@H](O)CC(=O)NCc1ncccc1[O-] ZINC000684350281 487840728 /nfs/dbraw/zinc/84/07/28/487840728.db2.gz JOHBUWHRMTWRKI-VIFPVBQESA-N -1 3 238.287 0.955 20 0 BCADHM CCCCOCCn1c([O-])coc1=O ZINC000882275045 591324030 /nfs/dbraw/zinc/32/40/30/591324030.db2.gz MXSVPLNHGHFRQL-UHFFFAOYSA-N -1 3 201.222 0.782 20 0 BCADHM CCOC([O-])=NOC[C@H](O)COC(C)C ZINC000496198398 529084016 /nfs/dbraw/zinc/08/40/16/529084016.db2.gz ZSIWLKYIGDKYIZ-MRVPVSSYSA-N -1 3 221.253 0.450 20 0 BCADHM CCOC(=O)[N-]OC[C@H](O)COC(C)C ZINC000496198398 529084019 /nfs/dbraw/zinc/08/40/19/529084019.db2.gz ZSIWLKYIGDKYIZ-MRVPVSSYSA-N -1 3 221.253 0.450 20 0 BCADHM CCOC([O-])=NOC[C@@H]1CCCNC1=O ZINC000496161447 529084612 /nfs/dbraw/zinc/08/46/12/529084612.db2.gz MYXQLWWETXNGGB-ZETCQYMHSA-N -1 3 216.237 0.190 20 0 BCADHM CCOC(=O)[N-]OC[C@@H]1CCCNC1=O ZINC000496161447 529084615 /nfs/dbraw/zinc/08/46/15/529084615.db2.gz MYXQLWWETXNGGB-ZETCQYMHSA-N -1 3 216.237 0.190 20 0 BCADHM Cc1cnc(C(=O)N[C@@H]2CCCN(C)C2)c([O-])c1 ZINC000681727533 487849440 /nfs/dbraw/zinc/84/94/40/487849440.db2.gz RFGCEMHBKXOECO-SNVBAGLBSA-N -1 3 249.314 0.920 20 0 BCADHM CO[N-]C(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000081245760 322959167 /nfs/dbraw/zinc/95/91/67/322959167.db2.gz RBGCVUAAGKADIP-UHFFFAOYSA-N -1 3 244.291 0.921 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1C[C@@H](C)CCN1 ZINC000229243911 487898214 /nfs/dbraw/zinc/89/82/14/487898214.db2.gz WWEXTZZXFQRRKN-IVZWLZJFSA-N -1 3 242.319 0.696 20 0 BCADHM O=C1[N-]C(=O)N2CCN([C@@H]3C=CCCC3)C[C@H]12 ZINC000540911723 487937078 /nfs/dbraw/zinc/93/70/78/487937078.db2.gz QEUALPQEJFVSHG-NXEZZACHSA-N -1 3 235.287 0.331 20 0 BCADHM CC1CCN(CC(=O)N(C)CCC(=O)[O-])CC1 ZINC000569362569 322964356 /nfs/dbraw/zinc/96/43/56/322964356.db2.gz IKCYSAIUHMIYKZ-UHFFFAOYSA-N -1 3 242.319 0.651 20 0 BCADHM C[C@@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)CO1 ZINC000569571759 322970882 /nfs/dbraw/zinc/97/08/82/322970882.db2.gz PGXDZBANHLGMHU-RNFRBKRXSA-N -1 3 219.248 0.316 20 0 BCADHM CC(=O)NCC(=O)Nc1cccc([O-])c1F ZINC000536463762 322975388 /nfs/dbraw/zinc/97/53/88/322975388.db2.gz SIZFEZAOCUXFRS-UHFFFAOYSA-N -1 3 226.207 0.606 20 0 BCADHM C[C@@H]1CN(C)CCN1Cc1ncccc1[O-] ZINC000561950882 323009096 /nfs/dbraw/zinc/00/90/96/323009096.db2.gz YQHCYFRALMXGRV-SNVBAGLBSA-N -1 3 221.304 0.923 20 0 BCADHM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1c[n-]nn1 ZINC000403235937 323011193 /nfs/dbraw/zinc/01/11/93/323011193.db2.gz PSHCYAHGUOHVIZ-HRDYMLBCSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cnn[n-]1 ZINC000403235937 323011194 /nfs/dbraw/zinc/01/11/94/323011194.db2.gz PSHCYAHGUOHVIZ-HRDYMLBCSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cn[n-]n1 ZINC000403235937 323011195 /nfs/dbraw/zinc/01/11/95/323011195.db2.gz PSHCYAHGUOHVIZ-HRDYMLBCSA-N -1 3 220.276 0.971 20 0 BCADHM Cn1cc(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c(=O)[n-]c1=O ZINC000562355622 323017546 /nfs/dbraw/zinc/01/75/46/323017546.db2.gz MMIMHJNOCXEQBM-SRSLHRDFSA-N -1 3 249.270 0.014 20 0 BCADHM Cc1nnnn1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000562717752 323028819 /nfs/dbraw/zinc/02/88/19/323028819.db2.gz UAWXBQITFXEGKY-UHFFFAOYSA-N -1 3 232.247 0.403 20 0 BCADHM C[C@H](C(=O)[O-])C(=O)N1CCCC[C@H]1CN(C)C ZINC000404906794 323031839 /nfs/dbraw/zinc/03/18/39/323031839.db2.gz GIUNEPKVFCPXAV-UWVGGRQHSA-N -1 3 242.319 0.650 20 0 BCADHM CCN1CCCC[C@@H]1CNC(=O)CCC(=O)[O-] ZINC000572720789 323036388 /nfs/dbraw/zinc/03/63/88/323036388.db2.gz ACAWOSPPVSLFIL-SNVBAGLBSA-N -1 3 242.319 0.842 20 0 BCADHM O=C(Nc1cc2c(cn1)CCC2)c1cnn[n-]1 ZINC000569843277 323042598 /nfs/dbraw/zinc/04/25/98/323042598.db2.gz XTTKSLBBAIUCFG-UHFFFAOYSA-N -1 3 229.243 0.941 20 0 BCADHM O=C(Nc1cc2c(cn1)CCC2)c1c[n-]nn1 ZINC000569843277 323042599 /nfs/dbraw/zinc/04/25/99/323042599.db2.gz XTTKSLBBAIUCFG-UHFFFAOYSA-N -1 3 229.243 0.941 20 0 BCADHM O=C(Nc1cc2c(cn1)CCC2)c1cn[n-]n1 ZINC000569843277 323042600 /nfs/dbraw/zinc/04/26/00/323042600.db2.gz XTTKSLBBAIUCFG-UHFFFAOYSA-N -1 3 229.243 0.941 20 0 BCADHM C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ncccc1[O-] ZINC000570556507 323062898 /nfs/dbraw/zinc/06/28/98/323062898.db2.gz MTPUEZNRXUSSDD-DTWKUNHWSA-N -1 3 235.287 0.544 20 0 BCADHM C[C@@H]1NC(=O)CC[C@H]1NCc1ncccc1[O-] ZINC000570556507 323062899 /nfs/dbraw/zinc/06/28/99/323062899.db2.gz MTPUEZNRXUSSDD-DTWKUNHWSA-N -1 3 235.287 0.544 20 0 BCADHM CSCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053525948 323077035 /nfs/dbraw/zinc/07/70/35/323077035.db2.gz HBZQVMUYLACPEB-UHFFFAOYSA-N -1 3 249.299 0.590 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)C1CC1 ZINC000531351385 323087977 /nfs/dbraw/zinc/08/79/77/323087977.db2.gz NJJVQVBSCFNPOL-GMSGAONNSA-N -1 3 237.303 0.661 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000531432456 323089475 /nfs/dbraw/zinc/08/94/75/323089475.db2.gz OODQXTNOPYQMHW-VWYCJHECSA-N -1 3 249.314 0.661 20 0 BCADHM CCS(=O)(=O)[N-]C1(C(=O)OC)CCCCC1 ZINC000051135292 323090165 /nfs/dbraw/zinc/09/01/65/323090165.db2.gz JYWOVZJPHUXSBY-UHFFFAOYSA-N -1 3 249.332 0.802 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CC(C)C1 ZINC000531478096 323098193 /nfs/dbraw/zinc/09/81/93/323098193.db2.gz FTGHJMWWYCTYKW-GDRRJGKNSA-N -1 3 237.303 0.661 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCC(=O)C2)n[n-]1 ZINC000564571924 323101837 /nfs/dbraw/zinc/10/18/37/323101837.db2.gz JJFJBPBZVHAOON-YFKPBYRVSA-N -1 3 224.220 0.121 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCC(=O)C2)[n-]1 ZINC000564571924 323101838 /nfs/dbraw/zinc/10/18/38/323101838.db2.gz JJFJBPBZVHAOON-YFKPBYRVSA-N -1 3 224.220 0.121 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCC(=O)C2)n1 ZINC000564571924 323101839 /nfs/dbraw/zinc/10/18/39/323101839.db2.gz JJFJBPBZVHAOON-YFKPBYRVSA-N -1 3 224.220 0.121 20 0 BCADHM O=C([O-])c1cnccc1NC[C@H](CO)C1CC1 ZINC000563205144 323101843 /nfs/dbraw/zinc/10/18/43/323101843.db2.gz KQYUKXBBOYTQIE-SECBINFHSA-N -1 3 236.271 0.632 20 0 BCADHM COC(=O)NCC(=O)Nc1ncccc1[O-] ZINC000048911477 323155926 /nfs/dbraw/zinc/15/59/26/323155926.db2.gz HEHKTXMXHKFWGB-UHFFFAOYSA-N -1 3 225.204 0.082 20 0 BCADHM CC1(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)CCC1 ZINC000535129429 323166799 /nfs/dbraw/zinc/16/67/99/323166799.db2.gz MJCGJXKRQQEMAL-UHFFFAOYSA-N -1 3 238.247 0.142 20 0 BCADHM NC(=O)C1(C(=O)Nc2ccccc2[O-])CCC1 ZINC000536162261 323196305 /nfs/dbraw/zinc/19/63/05/323196305.db2.gz CIXICMSLJPZMNQ-UHFFFAOYSA-N -1 3 234.255 0.986 20 0 BCADHM C[C@H](O)CCN(C)C(=O)c1cccc2[n-]nnc21 ZINC000527357081 323197601 /nfs/dbraw/zinc/19/76/01/323197601.db2.gz GROPGAUQUMMZAL-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM C[C@H](O)CCN(C)C(=O)c1cccc2nn[n-]c21 ZINC000527357081 323197602 /nfs/dbraw/zinc/19/76/02/323197602.db2.gz GROPGAUQUMMZAL-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM C[C@H](O)CCN(C)C(=O)c1cccc2n[n-]nc21 ZINC000527357081 323197603 /nfs/dbraw/zinc/19/76/03/323197603.db2.gz GROPGAUQUMMZAL-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CC1(C)C ZINC000532797310 323298829 /nfs/dbraw/zinc/29/88/29/323298829.db2.gz OEHCOLDBGJMBAR-DTWKUNHWSA-N -1 3 237.303 0.661 20 0 BCADHM C[C@H]1C[C@H](O)CN1C(=O)c1cccc2[n-]nnc21 ZINC000530416442 323385729 /nfs/dbraw/zinc/38/57/29/323385729.db2.gz PDBICCGBUCRQFJ-YUMQZZPRSA-N -1 3 246.270 0.553 20 0 BCADHM C[C@H]1C[C@H](O)CN1C(=O)c1cccc2nn[n-]c21 ZINC000530416442 323385731 /nfs/dbraw/zinc/38/57/31/323385731.db2.gz PDBICCGBUCRQFJ-YUMQZZPRSA-N -1 3 246.270 0.553 20 0 BCADHM C[C@H]1C[C@H](O)CN1C(=O)c1cccc2n[n-]nc21 ZINC000530416442 323385734 /nfs/dbraw/zinc/38/57/34/323385734.db2.gz PDBICCGBUCRQFJ-YUMQZZPRSA-N -1 3 246.270 0.553 20 0 BCADHM COC(=O)[C@@H](Sc1n[n-]c(CO)n1)C(C)C ZINC000572100372 323535989 /nfs/dbraw/zinc/53/59/89/323535989.db2.gz VLTPHPYRIMEDOX-ZETCQYMHSA-N -1 3 245.304 0.587 20 0 BCADHM CO[C@H](C)CN(C)C(=O)Cc1cncc([O-])c1 ZINC000572135113 323550318 /nfs/dbraw/zinc/55/03/18/323550318.db2.gz OSWVEXSJQGNCOI-SECBINFHSA-N -1 3 238.287 0.823 20 0 BCADHM CN(Cc1n[nH]c(=O)[n-]1)[C@@H]1CCN(C2CC2)C1 ZINC000537048710 324000532 /nfs/dbraw/zinc/00/05/32/324000532.db2.gz YSCYNNUQHHJUFK-SECBINFHSA-N -1 3 237.307 0.179 20 0 BCADHM CC1(C)OC[C@H]2C[C@]21NC(=O)c1cc(=O)[n-]cn1 ZINC000529790506 324398992 /nfs/dbraw/zinc/39/89/92/324398992.db2.gz FLDZBMARWHHHKK-KRTXAFLBSA-N -1 3 249.270 0.480 20 0 BCADHM CN(C[C@@H]1CCOC1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000539291502 324830462 /nfs/dbraw/zinc/83/04/62/324830462.db2.gz JDIYXTOJUXKUIV-ZETCQYMHSA-N -1 3 248.290 0.190 20 0 BCADHM CCc1cccc(C(=O)N[C@@H]2CNC(=O)C2)c1[O-] ZINC000541710161 324974337 /nfs/dbraw/zinc/97/43/37/324974337.db2.gz VNVCQFCSSPZDII-VIFPVBQESA-N -1 3 248.282 0.573 20 0 BCADHM Cc1nnc(CN=c2ncnc3[nH][n-]cc2-3)s1 ZINC000541859593 324985046 /nfs/dbraw/zinc/98/50/46/324985046.db2.gz PBLSBENIRQCKDS-UHFFFAOYSA-N -1 3 247.287 0.498 20 0 BCADHM Cc1nnc(C[N-]S(=O)(=O)CC2CC2)s1 ZINC000542800307 325049614 /nfs/dbraw/zinc/04/96/14/325049614.db2.gz PKVMEKVTLPRQOY-UHFFFAOYSA-N -1 3 247.345 0.676 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc[nH]c1 ZINC000131156193 325122541 /nfs/dbraw/zinc/12/25/41/325122541.db2.gz XULKZTXNCVMROI-UHFFFAOYSA-N -1 3 234.215 0.777 20 0 BCADHM CN(C[C@H]1CCCO1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000544847084 325164056 /nfs/dbraw/zinc/16/40/56/325164056.db2.gz NXUCRCMVXOHFDV-SSDOTTSWSA-N -1 3 248.290 0.332 20 0 BCADHM CCCS(=O)(=O)[N-]C1(C(=O)OC)CC1 ZINC000131714313 325179204 /nfs/dbraw/zinc/17/92/04/325179204.db2.gz UQAOMSKNIZASLI-UHFFFAOYSA-N -1 3 221.278 0.021 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-]C1(C(=O)OC)CC1 ZINC000131715335 325179440 /nfs/dbraw/zinc/17/94/40/325179440.db2.gz WWOKGEQPIYUGJS-QMMMGPOBSA-N -1 3 249.332 0.658 20 0 BCADHM Cn1nncc1C(=O)Nc1cccc([O-])c1F ZINC000545992554 325254976 /nfs/dbraw/zinc/25/49/76/325254976.db2.gz HNBUYYQUWXJCDC-UHFFFAOYSA-N -1 3 236.206 0.912 20 0 BCADHM Cc1nc(C(=O)[N-]c2nnc(C)n2C)co1 ZINC000669960230 487967461 /nfs/dbraw/zinc/96/74/61/487967461.db2.gz PDXKBBPKPXETDB-UHFFFAOYSA-N -1 3 221.220 0.672 20 0 BCADHM COC[C@](C)(O)C(=O)Nc1ccc([O-])cc1F ZINC000548465896 325460730 /nfs/dbraw/zinc/46/07/30/325460730.db2.gz PDIGAPIRWKSIMP-NSHDSACASA-N -1 3 243.234 0.867 20 0 BCADHM COCCCN(C)C(=O)Cc1cncc([O-])c1 ZINC000553393551 325688936 /nfs/dbraw/zinc/68/89/36/325688936.db2.gz WZYCDBLEQIZYBM-UHFFFAOYSA-N -1 3 238.287 0.825 20 0 BCADHM CCC[C@H](C)S(=O)(=O)[N-]CC(=O)OC ZINC000566331576 326034505 /nfs/dbraw/zinc/03/45/05/326034505.db2.gz VVEQNOGWNGZQRI-ZETCQYMHSA-N -1 3 223.294 0.267 20 0 BCADHM CCc1cc(N2CCO[C@@H](C(=O)[O-])C2)ccn1 ZINC000307776333 326115606 /nfs/dbraw/zinc/11/56/06/326115606.db2.gz HQVYSTFCSBBYGX-LLVKDONJSA-N -1 3 236.271 0.934 20 0 BCADHM C[C@H]1COC[C@H](C)N1CC1(C(=O)[O-])CC1 ZINC000567509843 326207345 /nfs/dbraw/zinc/20/73/45/326207345.db2.gz NWIGWSSZMXSGDA-IUCAKERBSA-N -1 3 213.277 0.960 20 0 BCADHM Cc1noc([N-]C(=O)c2cc(C)ncn2)n1 ZINC000157005892 326252300 /nfs/dbraw/zinc/25/23/00/326252300.db2.gz VAOYJWVVKPZDPI-UHFFFAOYSA-N -1 3 219.204 0.729 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@@H]1CCCN1C ZINC000567987391 326291861 /nfs/dbraw/zinc/29/18/61/326291861.db2.gz BHVBPOQNJOSQFB-UWVGGRQHSA-N -1 3 242.319 0.554 20 0 BCADHM CO[C@@H]1C[C@@H](C(=O)[O-])N(C[C@H](O)C(C)C)C1 ZINC000568068698 326303623 /nfs/dbraw/zinc/30/36/23/326303623.db2.gz PUNDKRMTOCVQDF-UTLUCORTSA-N -1 3 231.292 0.177 20 0 BCADHM CO[C@@H]1C[C@@H](C(=O)[O-])N(C[C@@H](O)C(C)C)C1 ZINC000568068696 326303665 /nfs/dbraw/zinc/30/36/65/326303665.db2.gz PUNDKRMTOCVQDF-KXUCPTDWSA-N -1 3 231.292 0.177 20 0 BCADHM CCO[C@H]1C[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000568413746 326355865 /nfs/dbraw/zinc/35/58/65/326355865.db2.gz PLCZDAMBLRMLMT-QWRGUYRKSA-N -1 3 236.271 0.623 20 0 BCADHM O=C1NCCCC[C@H]1Sc1n[n-]c(CO)n1 ZINC000682563991 487990087 /nfs/dbraw/zinc/99/00/87/487990087.db2.gz FJHAICSKRXLERT-ZCFIWIBFSA-N -1 3 242.304 0.058 20 0 BCADHM CCCN(CCO)C(=O)Cc1cncc([O-])c1 ZINC000655390363 488002164 /nfs/dbraw/zinc/00/21/64/488002164.db2.gz UQLMPTFBISCDPY-UHFFFAOYSA-N -1 3 238.287 0.561 20 0 BCADHM C[C@@H]1CN(C(=O)C(=O)[O-])CCN(C2CC2)C1 ZINC000666078406 488031685 /nfs/dbraw/zinc/03/16/85/488031685.db2.gz YZXDULBQFJDBJK-QMMMGPOBSA-N -1 3 226.276 0.014 20 0 BCADHM CC[C@@H](O)C[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000230024035 488037592 /nfs/dbraw/zinc/03/75/92/488037592.db2.gz RYMPBBZJCOHKNH-SECBINFHSA-N -1 3 248.304 0.173 20 0 BCADHM Cn1cc(COc2ccc3c([O-])coc3c2)nn1 ZINC000236117160 488042764 /nfs/dbraw/zinc/04/27/64/488042764.db2.gz UJXLAFJGADKATH-UHFFFAOYSA-N -1 3 245.238 0.969 20 0 BCADHM O=S(=O)([N-]Cc1cocn1)c1ccccn1 ZINC000677512087 488060904 /nfs/dbraw/zinc/06/09/04/488060904.db2.gz ASEVUZLQYYGYNT-UHFFFAOYSA-N -1 3 239.256 0.548 20 0 BCADHM C[C@H]1C[C@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673546151 488073359 /nfs/dbraw/zinc/07/33/59/488073359.db2.gz ORFSMTJMPSTLJH-IONNQARKSA-N -1 3 223.276 0.415 20 0 BCADHM CCN(C)S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000672429984 488133603 /nfs/dbraw/zinc/13/36/03/488133603.db2.gz YBEUXWNRGRPDFY-ZETCQYMHSA-N -1 3 242.291 0.960 20 0 BCADHM CN1CCC[C@@H](C(=O)Nc2ncccc2[O-])C1=O ZINC000294910195 487475421 /nfs/dbraw/zinc/47/54/21/487475421.db2.gz CBFDGSWOONKYQD-QMMMGPOBSA-N -1 3 249.270 0.594 20 0 BCADHM COc1nnc(NC(=O)c2n[nH]cc2C)[n-]1 ZINC000380838631 487488368 /nfs/dbraw/zinc/48/83/68/487488368.db2.gz SPYHBEHORMEWKY-UHFFFAOYSA-N -1 3 222.208 0.097 20 0 BCADHM COc1nc(NC(=O)c2n[nH]cc2C)n[n-]1 ZINC000380838631 487488374 /nfs/dbraw/zinc/48/83/74/487488374.db2.gz SPYHBEHORMEWKY-UHFFFAOYSA-N -1 3 222.208 0.097 20 0 BCADHM COc1n[n-]c(NC(=O)c2n[nH]cc2C)n1 ZINC000380838631 487488379 /nfs/dbraw/zinc/48/83/79/487488379.db2.gz SPYHBEHORMEWKY-UHFFFAOYSA-N -1 3 222.208 0.097 20 0 BCADHM CN(Cc1cn[nH]c1)C(=O)Cc1cncc([O-])c1 ZINC000668759510 487493216 /nfs/dbraw/zinc/49/32/16/487493216.db2.gz YMRDZZIFRYIOPE-UHFFFAOYSA-N -1 3 246.270 0.711 20 0 BCADHM NC(=O)C1(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000674015025 487501291 /nfs/dbraw/zinc/50/12/91/487501291.db2.gz GAZVBWMUQNOPGE-UHFFFAOYSA-N -1 3 238.218 0.735 20 0 BCADHM CN(C)C(=O)[C@H]1CCCN1Cc1ncccc1[O-] ZINC000685408942 487516062 /nfs/dbraw/zinc/51/60/62/487516062.db2.gz SJYWHDFSWFZTOT-LLVKDONJSA-N -1 3 249.314 0.840 20 0 BCADHM C[C@@H](O)[C@H]1CCN(Cc2ncccc2[O-])C1 ZINC000685427007 487521426 /nfs/dbraw/zinc/52/14/26/487521426.db2.gz ZXMKCZIFYUDBGX-ZJUUUORDSA-N -1 3 222.288 0.990 20 0 BCADHM COCCCN(CCO)Cc1ncccc1[O-] ZINC000685428858 487521875 /nfs/dbraw/zinc/52/18/75/487521875.db2.gz QEIRSCFIODVFLN-UHFFFAOYSA-N -1 3 240.303 0.618 20 0 BCADHM C[C@@H]1CCNC(=O)[C@@H]1NCc1ncccc1[O-] ZINC000685431168 487521999 /nfs/dbraw/zinc/52/19/99/487521999.db2.gz QDHSWRSVIZFLQO-LDYMZIIASA-N -1 3 235.287 0.401 20 0 BCADHM CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000252425977 487824021 /nfs/dbraw/zinc/82/40/21/487824021.db2.gz RHZLCTPOIROSLN-OPRDCNLKSA-N -1 3 240.303 0.308 20 0 BCADHM COC[C@@H](CNc1ccncc1C(=O)[O-])OC ZINC000234784403 487877302 /nfs/dbraw/zinc/87/73/02/487877302.db2.gz GXAIJSYCIXILEN-MRVPVSSYSA-N -1 3 240.259 0.853 20 0 BCADHM C([N-]c1nnc(C2CC2)o1)c1nnnn1C1CC1 ZINC000683459944 488166763 /nfs/dbraw/zinc/16/67/63/488166763.db2.gz YTLFIYFAJHWHKM-UHFFFAOYSA-N -1 3 247.262 0.881 20 0 BCADHM O=C(Nc1ccccc1O)c1cnn[n-]1 ZINC000169932766 488182854 /nfs/dbraw/zinc/18/28/54/488182854.db2.gz XVWZQRXXRVVHFA-UHFFFAOYSA-N -1 3 204.189 0.763 20 0 BCADHM O=C(Nc1ccccc1O)c1c[n-]nn1 ZINC000169932766 488182858 /nfs/dbraw/zinc/18/28/58/488182858.db2.gz XVWZQRXXRVVHFA-UHFFFAOYSA-N -1 3 204.189 0.763 20 0 BCADHM O=S(=O)([N-][C@H]1[C@@H]2CCC[C@@H]21)c1c[nH]cn1 ZINC000683762523 488217733 /nfs/dbraw/zinc/21/77/33/488217733.db2.gz CLQHWSMGRNTEGQ-QMSLJYSESA-N -1 3 227.289 0.487 20 0 BCADHM CC[C@]1(N=c2ncnc3[nH][n-]cc2-3)CCOC1 ZINC000672276171 488249899 /nfs/dbraw/zinc/24/98/99/488249899.db2.gz ZKRPSMOWQMPABW-NSHDSACASA-N -1 3 233.275 0.707 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](C)[C@@H](O)C2)n1 ZINC000684094429 488266126 /nfs/dbraw/zinc/26/61/26/488266126.db2.gz QJRUHZGWCSIFSD-JEZHCXPESA-N -1 3 237.303 0.864 20 0 BCADHM CCC1(O)CCC(NC(=O)c2c[n-]nn2)CC1 ZINC000678575876 488268070 /nfs/dbraw/zinc/26/80/70/488268070.db2.gz JUBIQULVGCDPIC-UHFFFAOYSA-N -1 3 238.291 0.618 20 0 BCADHM CCC1(O)CCC(NC(=O)c2cnn[n-]2)CC1 ZINC000678575876 488268072 /nfs/dbraw/zinc/26/80/72/488268072.db2.gz JUBIQULVGCDPIC-UHFFFAOYSA-N -1 3 238.291 0.618 20 0 BCADHM CCC1(O)CCC(NC(=O)c2cn[n-]n2)CC1 ZINC000678575876 488268074 /nfs/dbraw/zinc/26/80/74/488268074.db2.gz JUBIQULVGCDPIC-UHFFFAOYSA-N -1 3 238.291 0.618 20 0 BCADHM COC(C)(C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673545142 488295555 /nfs/dbraw/zinc/29/55/55/488295555.db2.gz YMIFKZPUKKHDDU-UHFFFAOYSA-N -1 3 241.291 0.184 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccoc1 ZINC000673543937 488295644 /nfs/dbraw/zinc/29/56/44/488295644.db2.gz MDORRYSAAJEGOF-UHFFFAOYSA-N -1 3 235.243 0.666 20 0 BCADHM Cc1ccc(C(=O)N[C@@H]2COC[C@@H]2O)c([O-])c1 ZINC000323226442 490090454 /nfs/dbraw/zinc/09/04/54/490090454.db2.gz BHODRJHBNYKZHX-KOLCDFICSA-N -1 3 237.255 0.190 20 0 BCADHM CC(C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000336499303 490092556 /nfs/dbraw/zinc/09/25/56/490092556.db2.gz VXSSLXZVFAVVIN-SECBINFHSA-N -1 3 224.308 0.586 20 0 BCADHM CC(C)CCc1cc(NC(=O)c2cnn[n-]2)n[nH]1 ZINC000349010437 490098185 /nfs/dbraw/zinc/09/81/85/490098185.db2.gz MWTJBORJPQCHOX-UHFFFAOYSA-N -1 3 248.290 1.369 20 0 BCADHM CC(C)CCc1cc(NC(=O)c2c[n-]nn2)n[nH]1 ZINC000349010437 490098190 /nfs/dbraw/zinc/09/81/90/490098190.db2.gz MWTJBORJPQCHOX-UHFFFAOYSA-N -1 3 248.290 1.369 20 0 BCADHM CC(C)CCc1cc(NC(=O)c2cn[n-]n2)n[nH]1 ZINC000349010437 490098194 /nfs/dbraw/zinc/09/81/94/490098194.db2.gz MWTJBORJPQCHOX-UHFFFAOYSA-N -1 3 248.290 1.369 20 0 BCADHM O=c1nc(CN2CCC[C@H](c3cc[nH]n3)C2)[nH][n-]1 ZINC000121918747 490113088 /nfs/dbraw/zinc/11/30/88/490113088.db2.gz UUGVQKBRXYFOGQ-QMMMGPOBSA-N -1 3 248.290 0.201 20 0 BCADHM Cc1cnc(N(C)C[C@H](C)c2nnn[n-]2)nc1 ZINC000095333840 490227270 /nfs/dbraw/zinc/22/72/70/490227270.db2.gz KQMFTUZXYPVSSC-QMMMGPOBSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1cnc(N(C)C[C@H](C)c2nn[n-]n2)nc1 ZINC000095333840 490227277 /nfs/dbraw/zinc/22/72/77/490227277.db2.gz KQMFTUZXYPVSSC-QMMMGPOBSA-N -1 3 233.279 0.538 20 0 BCADHM O=c1[n-]c(CN2CCC[C@H]3CCC[C@H]32)n[nH]1 ZINC000092618853 490359265 /nfs/dbraw/zinc/35/92/65/490359265.db2.gz GQLIYMYMNSTRQC-RKDXNWHRSA-N -1 3 222.292 0.863 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000127053526 490534700 /nfs/dbraw/zinc/53/47/00/490534700.db2.gz WWEXTZZXFQRRKN-KXUCPTDWSA-N -1 3 242.319 0.696 20 0 BCADHM CC(C)[C@H](CNC(=O)[C@@H]1CCCCN1)C(=O)[O-] ZINC000087513051 491089390 /nfs/dbraw/zinc/08/93/90/491089390.db2.gz FSYWNGQLNKYXKN-UWVGGRQHSA-N -1 3 242.319 0.602 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C2CC=CC2)cn1C ZINC000132245590 491134577 /nfs/dbraw/zinc/13/45/77/491134577.db2.gz FKXWYGCEHMCWBR-UHFFFAOYSA-N -1 3 241.316 0.725 20 0 BCADHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1cncnc1 ZINC000471961986 533721034 /nfs/dbraw/zinc/72/10/34/533721034.db2.gz YRHHRVZOMBDYSL-MRVPVSSYSA-N -1 3 242.304 0.618 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@H]1CCSC1 ZINC000891339284 582666675 /nfs/dbraw/zinc/66/66/75/582666675.db2.gz FRNVVURUZSKLOB-ZCFIWIBFSA-N -1 3 227.293 0.385 20 0 BCADHM C[C@@H](CO)N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000492827209 534113280 /nfs/dbraw/zinc/11/32/80/534113280.db2.gz WLZDTJCEWLIHNU-NWALNABHSA-N -1 3 236.271 0.640 20 0 BCADHM NC(=O)CO[N-]C(=O)/C=C/C1CCCC1 ZINC000493625498 534332336 /nfs/dbraw/zinc/33/23/36/534332336.db2.gz VRVIEMVEOGNSEJ-AATRIKPKSA-N -1 3 212.249 0.266 20 0 BCADHM O=C(NCCO)c1cc([O-])ccc1Cl ZINC000236499850 518199691 /nfs/dbraw/zinc/19/96/91/518199691.db2.gz DEJVEBPZDCHBPI-UHFFFAOYSA-N -1 3 215.636 0.768 20 0 BCADHM C[C@H](Cn1cncn1)Nc1cc(=O)[n-]cn1 ZINC000892127074 582796929 /nfs/dbraw/zinc/79/69/29/582796929.db2.gz LOYPSSUCWIJUHW-SSDOTTSWSA-N -1 3 220.236 0.274 20 0 BCADHM Cc1cncc(/C=C/C(=O)[N-]OCCO)c1 ZINC000492715020 534673716 /nfs/dbraw/zinc/67/37/16/534673716.db2.gz KDABPUDVJNNXAK-NSCUHMNNSA-N -1 3 222.244 0.443 20 0 BCADHM CNC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179704895 536438501 /nfs/dbraw/zinc/43/85/01/536438501.db2.gz APXMLWFAEOXUKO-UHFFFAOYSA-N -1 3 206.205 0.034 20 0 BCADHM CC(C)[C@H](O)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000305220363 527728595 /nfs/dbraw/zinc/72/85/95/527728595.db2.gz VHCTZXHOUANQJB-MRVPVSSYSA-N -1 3 247.320 0.095 20 0 BCADHM CCOCCO[N-]C(=O)/C=C/c1ncc[nH]1 ZINC000493160250 528816265 /nfs/dbraw/zinc/81/62/65/528816265.db2.gz RZNOXJCHXPISKL-ONEGZZNKSA-N -1 3 225.248 0.507 20 0 BCADHM CC(C)N(C)CC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000261538516 534994674 /nfs/dbraw/zinc/99/46/74/534994674.db2.gz YJVAXCHRAKZQPT-MRVPVSSYSA-N -1 3 216.281 0.258 20 0 BCADHM CC[C@H]1CC[C@@H](C)N1Cc1nc(=O)n(C)[n-]1 ZINC000336002349 536093319 /nfs/dbraw/zinc/09/33/19/536093319.db2.gz QHJLTLPDRACGRP-BDAKNGLRSA-N -1 3 224.308 0.871 20 0 BCADHM C[C@@H]1CN(C)[C@@H](C)CN1c1cc(=O)[n-]cn1 ZINC000893080855 583044796 /nfs/dbraw/zinc/04/47/96/583044796.db2.gz STUWTKYIXXNRNK-DTWKUNHWSA-N -1 3 222.292 0.711 20 0 BCADHM CCNC(=O)[C@@H](Nc1cc(=O)[n-]cn1)C(C)C ZINC000893979198 583265912 /nfs/dbraw/zinc/26/59/12/583265912.db2.gz HTXHYWZLBHFHJY-JTQLQIEISA-N -1 3 238.291 0.755 20 0 BCADHM CC(C)(C)C(=O)[N-]OCc1ncnn1CCF ZINC000853663768 588753726 /nfs/dbraw/zinc/75/37/26/588753726.db2.gz BJBAGSJLYAASGT-UHFFFAOYSA-N -1 3 244.270 0.842 20 0 BCADHM CCOC([O-])=NOC[C@H]1COCCO1 ZINC000853727958 588759720 /nfs/dbraw/zinc/75/97/20/588759720.db2.gz VQQVNLOQBRXXIG-SSDOTTSWSA-N -1 3 205.210 0.080 20 0 BCADHM CCOC(=O)[N-]OC[C@H]1COCCO1 ZINC000853727958 588759721 /nfs/dbraw/zinc/75/97/21/588759721.db2.gz VQQVNLOQBRXXIG-SSDOTTSWSA-N -1 3 205.210 0.080 20 0 BCADHM CCNC(=O)C[N-]C(=O)C(F)(F)CC ZINC000854290088 588782834 /nfs/dbraw/zinc/78/28/34/588782834.db2.gz RSRPPOIVLKBTGA-UHFFFAOYSA-N -1 3 208.208 0.284 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1(F)CC1 ZINC000854488864 588789324 /nfs/dbraw/zinc/78/93/24/588789324.db2.gz ZTBQXJPEAPDELM-UHFFFAOYSA-N -1 3 227.239 0.261 20 0 BCADHM CN1CCC(O[N-]C(=O)Cn2ccnc2)CC1 ZINC000854356501 588784871 /nfs/dbraw/zinc/78/48/71/588784871.db2.gz BSLRGLIIRZCGAL-UHFFFAOYSA-N -1 3 238.291 0.025 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@H]2CCC=CO2)CC1 ZINC000854358229 588785114 /nfs/dbraw/zinc/78/51/14/588785114.db2.gz UHHOEIRHHBUMFB-LLVKDONJSA-N -1 3 240.303 0.821 20 0 BCADHM CSC=CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854486471 588789371 /nfs/dbraw/zinc/78/93/71/588789371.db2.gz ZWFKDKPZXQYXRP-GQCTYLIASA-N -1 3 241.316 0.635 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H]1CC(C)=NO1 ZINC000854390692 588785638 /nfs/dbraw/zinc/78/56/38/588785638.db2.gz KHCYXKYYZVUCCF-SSDOTTSWSA-N -1 3 223.236 0.401 20 0 BCADHM CC1=NO[C@H](C(=O)[N-]c2nncn2C2CC2)C1 ZINC000854393360 588785758 /nfs/dbraw/zinc/78/57/58/588785758.db2.gz FJSYBMWOJKCBIS-QMMMGPOBSA-N -1 3 235.247 0.716 20 0 BCADHM CN(C(=O)/C=C/c1cncc([O-])c1)C1(CO)CC1 ZINC000854436202 588786919 /nfs/dbraw/zinc/78/69/19/588786919.db2.gz SNQJQHBPYBWFFJ-NSCUHMNNSA-N -1 3 248.282 0.784 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2COC(=O)C2)ccc1[O-] ZINC000854555189 588794113 /nfs/dbraw/zinc/79/41/13/588794113.db2.gz BPKWJFVGOJCNAF-VIFPVBQESA-N -1 3 235.239 0.746 20 0 BCADHM Cn1cncc1[C@@H]1C[C@H]1C(=O)[N-]OCC1CC1 ZINC000854639876 588798911 /nfs/dbraw/zinc/79/89/11/588798911.db2.gz ISYXLMOIBMNSPP-NXEZZACHSA-N -1 3 235.287 0.981 20 0 BCADHM Cn1cc(CCC(=O)[N-]OCCC2CC2)nn1 ZINC000854640675 588799020 /nfs/dbraw/zinc/79/90/20/588799020.db2.gz VLXICBWJLBNUFM-UHFFFAOYSA-N -1 3 238.291 0.596 20 0 BCADHM CCC(F)(F)C(=O)[N-]OCCN(C)C ZINC000854690972 588801633 /nfs/dbraw/zinc/80/16/33/588801633.db2.gz RYDFYMWPHBJOTD-UHFFFAOYSA-N -1 3 210.224 0.641 20 0 BCADHM CCOC(=O)[C@@H](CC(=O)[N-]OC(C)C)C(C)=O ZINC000854753977 588805718 /nfs/dbraw/zinc/80/57/18/588805718.db2.gz IOYSAKDKCBVRDQ-VIFPVBQESA-N -1 3 245.275 0.601 20 0 BCADHM CC(C)(CO)O[N-]C(=O)Cc1cncc(O)c1 ZINC000854755274 588805876 /nfs/dbraw/zinc/80/58/76/588805876.db2.gz YVXZAKVFCOMAGF-UHFFFAOYSA-N -1 3 240.259 0.148 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCOC1 ZINC000854807053 588811429 /nfs/dbraw/zinc/81/14/29/588811429.db2.gz KXEUBYYURVLXIF-UHFFFAOYSA-N -1 3 209.201 0.528 20 0 BCADHM COc1ccc(C[N-]C(=O)C(F)F)nn1 ZINC000854882503 588815261 /nfs/dbraw/zinc/81/52/61/588815261.db2.gz KELVNIXBDPLOHR-UHFFFAOYSA-N -1 3 217.175 0.367 20 0 BCADHM CN(C)CCO[N-]C(=O)C1(c2cccnc2)CC1 ZINC000854945025 588817465 /nfs/dbraw/zinc/81/74/65/588817465.db2.gz GWWOAHGTNZOMHQ-UHFFFAOYSA-N -1 3 249.314 0.723 20 0 BCADHM C[C@@H](C(=O)[N-]OCCN(C)C)c1cnn(C)c1 ZINC000854945523 588818065 /nfs/dbraw/zinc/81/80/65/588818065.db2.gz LEUWUQVNQBADFS-SECBINFHSA-N -1 3 240.307 0.133 20 0 BCADHM CCC1(C(=O)[N-]OCCN(C)C)CCOCC1 ZINC000854945753 588818096 /nfs/dbraw/zinc/81/80/96/588818096.db2.gz OLYSMGYRTMUMEC-UHFFFAOYSA-N -1 3 244.335 0.803 20 0 BCADHM CC1=NO[C@H](C(=O)[N-]C2=NC[C@H](C)S2)C1 ZINC000854992453 588819993 /nfs/dbraw/zinc/81/99/93/588819993.db2.gz MYGWJHHOGZAPSR-BQBZGAKWSA-N -1 3 227.289 0.759 20 0 BCADHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C/COC ZINC000855133233 588822603 /nfs/dbraw/zinc/82/26/03/588822603.db2.gz VDAODDXMIIYTPP-VOTSOKGWSA-N -1 3 245.275 0.579 20 0 BCADHM CCO/C=C/C(=O)[N-]OC(C)(C)C(=O)OCC ZINC000855132987 588822651 /nfs/dbraw/zinc/82/26/51/588822651.db2.gz MACHVDLVSBWWAJ-BQYQJAHWSA-N -1 3 245.275 0.926 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC[C@H](O)[C@@H](F)C1 ZINC000890711783 582511531 /nfs/dbraw/zinc/51/15/31/582511531.db2.gz QSPKVVHQLMHFSV-QWRGUYRKSA-N -1 3 239.246 0.937 20 0 BCADHM CCCO[N-]C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC000844086104 582569187 /nfs/dbraw/zinc/56/91/87/582569187.db2.gz MHNDMTBFPBUFRG-VIFPVBQESA-N -1 3 238.291 0.607 20 0 BCADHM CCn1nnnc1[N-]C(=O)CCn1cccc1 ZINC000891340097 582667022 /nfs/dbraw/zinc/66/70/22/582667022.db2.gz NVJCVCLWSYDKFV-UHFFFAOYSA-N -1 3 234.263 0.523 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H](C)C1CC1 ZINC000891341198 582667677 /nfs/dbraw/zinc/66/76/77/582667677.db2.gz VXNJWUHPOGXHAY-ZCFIWIBFSA-N -1 3 209.253 0.678 20 0 BCADHM CCn1nnnc1[N-]C(=O)/C=C\SC ZINC000891341298 582667689 /nfs/dbraw/zinc/66/76/89/582667689.db2.gz XRDSLJLIUQVPOG-PLNGDYQASA-N -1 3 213.266 0.508 20 0 BCADHM O=c1[n-]nc(C2CCN(c3cccnn3)CC2)o1 ZINC000558607047 582678471 /nfs/dbraw/zinc/67/84/71/582678471.db2.gz RUHLSXZYLDVWGG-UHFFFAOYSA-N -1 3 247.258 0.949 20 0 BCADHM CN(Cc1cnn(C)c1)c1cc(=O)[n-]cn1 ZINC000891558598 582696465 /nfs/dbraw/zinc/69/64/65/582696465.db2.gz RKTXGBNYELMNCS-UHFFFAOYSA-N -1 3 219.248 0.552 20 0 BCADHM Cc1nc(N(C)Cc2cnn(C)c2)cc(=O)[n-]1 ZINC000891558520 582696574 /nfs/dbraw/zinc/69/65/74/582696574.db2.gz NKSLGZUPILXLCG-UHFFFAOYSA-N -1 3 233.275 0.861 20 0 BCADHM O=C(N[C@H]1C[C@H](O)c2ccccc21)c1c[n-]nn1 ZINC000855717782 588845781 /nfs/dbraw/zinc/84/57/81/588845781.db2.gz URTJZNVHLQMNHV-ONGXEEELSA-N -1 3 244.254 0.713 20 0 BCADHM O=C(N[C@H]1C[C@H](O)c2ccccc21)c1cnn[n-]1 ZINC000855717782 588845782 /nfs/dbraw/zinc/84/57/82/588845782.db2.gz URTJZNVHLQMNHV-ONGXEEELSA-N -1 3 244.254 0.713 20 0 BCADHM O=C(N[C@H]1C[C@H](O)c2ccccc21)c1cn[n-]n1 ZINC000855717782 588845783 /nfs/dbraw/zinc/84/57/83/588845783.db2.gz URTJZNVHLQMNHV-ONGXEEELSA-N -1 3 244.254 0.713 20 0 BCADHM CCn1ncc(C)c1NC(=O)c1nnc[n-]1 ZINC000855751535 588847162 /nfs/dbraw/zinc/84/71/62/588847162.db2.gz VQXPGEZKHDLUSU-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM CCn1ncc(C)c1NC(=O)c1nc[n-]n1 ZINC000855751535 588847163 /nfs/dbraw/zinc/84/71/63/588847163.db2.gz VQXPGEZKHDLUSU-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM C[C@@H](CN1CCCC1=O)Nc1cc(=O)[n-]cn1 ZINC000891914495 582737057 /nfs/dbraw/zinc/73/70/57/582737057.db2.gz ZXQJGAHQRIUTFL-QMMMGPOBSA-N -1 3 236.275 0.605 20 0 BCADHM Cc1nc(N[C@@H](C)Cn2cncn2)cc(=O)[n-]1 ZINC000892127927 582796419 /nfs/dbraw/zinc/79/64/19/582796419.db2.gz YOSZSLFVHQJUMM-ZETCQYMHSA-N -1 3 234.263 0.583 20 0 BCADHM O=S(=O)([N-]C(CF)CF)c1cccnc1 ZINC000114136554 582822517 /nfs/dbraw/zinc/82/25/17/582822517.db2.gz VJNJUDOVYTXKSX-UHFFFAOYSA-N -1 3 236.243 0.668 20 0 BCADHM COc1ccc(C(=O)N2CC[C@H]2CO)c([O-])c1 ZINC000889132566 582831842 /nfs/dbraw/zinc/83/18/42/582831842.db2.gz LNRAXPIPHRXSHA-QMMMGPOBSA-N -1 3 237.255 0.608 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H]1CO ZINC000889144666 582844444 /nfs/dbraw/zinc/84/44/44/582844444.db2.gz AGMASEJFGURELH-SSDOTTSWSA-N -1 3 223.228 0.305 20 0 BCADHM CC[C@H](C)C(=O)[N-]OCCN1CCCC1=O ZINC000856038157 588858257 /nfs/dbraw/zinc/85/82/57/588858257.db2.gz VTGAJMGQMKMPRO-VIFPVBQESA-N -1 3 228.292 0.703 20 0 BCADHM Cc1nc(N(C)[C@H]2CCOC2)cc(=O)[n-]1 ZINC000892404401 582877257 /nfs/dbraw/zinc/87/72/57/582877257.db2.gz FXQINNCJCCKJIO-QMMMGPOBSA-N -1 3 209.249 0.716 20 0 BCADHM Cc1nc(N(C)[C@@H]2CCOC2)cc(=O)[n-]1 ZINC000892404400 582877268 /nfs/dbraw/zinc/87/72/68/582877268.db2.gz FXQINNCJCCKJIO-MRVPVSSYSA-N -1 3 209.249 0.716 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H](O)c1cccnc1 ZINC000783646530 582960561 /nfs/dbraw/zinc/96/05/61/582960561.db2.gz YRFTXVFTPXKECX-SNVBAGLBSA-N -1 3 245.238 0.854 20 0 BCADHM O=C1C[C@H](Nc2cc(=O)[n-]cn2)CN1C1CC1 ZINC000892799514 582985805 /nfs/dbraw/zinc/98/58/05/582985805.db2.gz DQKCLTQTNKJLOV-ZETCQYMHSA-N -1 3 234.259 0.357 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N[C@H]1C[C@H](O)C1 ZINC000856395601 588871788 /nfs/dbraw/zinc/87/17/88/588871788.db2.gz UTVUFCIINUGRIP-DWVAZNJQSA-N -1 3 234.255 0.440 20 0 BCADHM Cn1cnnc1[C@@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000893071811 583041256 /nfs/dbraw/zinc/04/12/56/583041256.db2.gz ULNXDOARVAIAPH-QMMMGPOBSA-N -1 3 246.274 0.652 20 0 BCADHM CS(C)(=O)=NS(=O)(=O)[N-]CCC1CC1 ZINC000866885118 583053746 /nfs/dbraw/zinc/05/37/46/583053746.db2.gz CVVHQTBEMQZPHG-UHFFFAOYSA-N -1 3 240.350 0.349 20 0 BCADHM C/C=C\C[C@H](CO)Nc1cc(=O)[n-]cn1 ZINC000893228739 583074716 /nfs/dbraw/zinc/07/47/16/583074716.db2.gz DUFOFZHUPSYOIY-YAJNLLPGSA-N -1 3 209.249 0.921 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NN1CCCC1 ZINC000854328206 583084157 /nfs/dbraw/zinc/08/41/57/583084157.db2.gz PUPAXDJMITZWKF-ONEGZZNKSA-N -1 3 233.271 0.927 20 0 BCADHM CN1CC[C@H](C(=O)[N-]OCC2CCC2)CC1=O ZINC000856344935 588868738 /nfs/dbraw/zinc/86/87/38/588868738.db2.gz CCKQDLXZQFGGGT-JTQLQIEISA-N -1 3 240.303 0.703 20 0 BCADHM Cn1cc(C(=O)[N-]OCC2CCC2)ccc1=O ZINC000856345121 588868749 /nfs/dbraw/zinc/86/87/49/588868749.db2.gz GTRGKKQUMVGPAO-UHFFFAOYSA-N -1 3 236.271 0.847 20 0 BCADHM O=C(C[C@H]1CCC(=O)NC1)[N-]OCC1CCC1 ZINC000856345067 588868752 /nfs/dbraw/zinc/86/87/52/588868752.db2.gz WHWAWYFMCLARRU-SNVBAGLBSA-N -1 3 240.303 0.751 20 0 BCADHM C[C@@H](C(=O)[N-]OCC1CCC1)N(C)C ZINC000856348147 588869289 /nfs/dbraw/zinc/86/92/89/588869289.db2.gz QYIZTHMVEULEIQ-QMMMGPOBSA-N -1 3 200.282 0.784 20 0 BCADHM COC[C@H]1CN(c2cc(=O)[n-]cn2)C[C@H](C)O1 ZINC000893389320 583134171 /nfs/dbraw/zinc/13/41/71/583134171.db2.gz UDLOGCCDMAALGC-DTWKUNHWSA-N -1 3 239.275 0.422 20 0 BCADHM CN(c1cc(=O)[n-]cn1)[C@H]1CC[C@H](O)CC1 ZINC000893392139 583134649 /nfs/dbraw/zinc/13/46/49/583134649.db2.gz XGCTUJLUIVUZGU-KYZUINATSA-N -1 3 223.276 0.922 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)c1cnns1 ZINC000857286482 583137201 /nfs/dbraw/zinc/13/72/01/583137201.db2.gz CGYGXJVERZMPLV-ZCFIWIBFSA-N -1 3 231.277 0.216 20 0 BCADHM O=C1CCCN1[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000893448760 583145313 /nfs/dbraw/zinc/14/53/13/583145313.db2.gz HLYFNSKJLOWLSZ-VIFPVBQESA-N -1 3 248.286 0.383 20 0 BCADHM Cc1nc(N2CCO[C@H](C(F)F)C2)cc(=O)[n-]1 ZINC000893709646 583208741 /nfs/dbraw/zinc/20/87/41/583208741.db2.gz WREJYDDCMKCUOO-ZETCQYMHSA-N -1 3 245.229 0.961 20 0 BCADHM COC(=O)[C@H]1[C@@H]2CN(c3cc(=O)[n-]c(C)n3)C[C@@H]21 ZINC000893951178 583260704 /nfs/dbraw/zinc/26/07/04/583260704.db2.gz SWSVJNLJFSKDCE-VROVMSAKSA-N -1 3 249.270 0.346 20 0 BCADHM O=c1cc(N2CC[C@](O)(C(F)F)C2)nc[n-]1 ZINC000894048017 583287829 /nfs/dbraw/zinc/28/78/29/583287829.db2.gz HEDAIQJXZJQXMU-SECBINFHSA-N -1 3 231.202 0.389 20 0 BCADHM C[C@@]1(CNc2cc(=O)[n-]cn2)CCC(=O)N1 ZINC000894141527 583316750 /nfs/dbraw/zinc/31/67/50/583316750.db2.gz XUMMTXRCVFPVHO-JTQLQIEISA-N -1 3 222.248 0.263 20 0 BCADHM Cc1nc(N[C@@H](CO)c2ccnn2C)cc(=O)[n-]1 ZINC000894160819 583321720 /nfs/dbraw/zinc/32/17/20/583321720.db2.gz CYEBBMDAWOXKJV-QMMMGPOBSA-N -1 3 249.274 0.370 20 0 BCADHM COC(=O)CCN1CCC(N(C)C(=O)[O-])CC1 ZINC000738039669 583347050 /nfs/dbraw/zinc/34/70/50/583347050.db2.gz ZRLPQBGWNNRQRT-UHFFFAOYSA-N -1 3 244.291 0.624 20 0 BCADHM CC[C@@H](COC(=O)c1n[n-]nc1C)OC ZINC000842096110 583360281 /nfs/dbraw/zinc/36/02/81/583360281.db2.gz YVVZLIXRIORRCB-ZETCQYMHSA-N -1 3 213.237 0.695 20 0 BCADHM Cc1nc(N2CCO[C@@H]([C@@H](C)O)C2)cc(=O)[n-]1 ZINC000894225546 583383621 /nfs/dbraw/zinc/38/36/21/583383621.db2.gz XUAZDTZAEFZHRK-VXNVDRBHSA-N -1 3 239.275 0.077 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@@H]1CC12CCOCC2 ZINC000857284343 588902814 /nfs/dbraw/zinc/90/28/14/588902814.db2.gz HRJVPBXXKVNYTQ-VIFPVBQESA-N -1 3 243.303 0.622 20 0 BCADHM CC(C)(CO)O[N-]C(=O)Cc1cccnc1 ZINC000857284463 588903160 /nfs/dbraw/zinc/90/31/60/588903160.db2.gz MKBBGLRHXYTDFZ-UHFFFAOYSA-N -1 3 224.260 0.443 20 0 BCADHM CO[C@@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000879319891 583423760 /nfs/dbraw/zinc/42/37/60/583423760.db2.gz CJCSWLQTATVMSF-DTWKUNHWSA-N -1 3 240.307 0.108 20 0 BCADHM Cn1cnc(CCCNc2cc(=O)[n-]cn2)n1 ZINC000894348514 583432181 /nfs/dbraw/zinc/43/21/81/583432181.db2.gz IGZDVJCHCNGHAT-UHFFFAOYSA-N -1 3 234.263 0.355 20 0 BCADHM CCO[N-]C(=O)CNc1cc(N)ncc1Cl ZINC000894398015 583448369 /nfs/dbraw/zinc/44/83/69/583448369.db2.gz JTSBHJKCVQCAJY-UHFFFAOYSA-N -1 3 244.682 0.797 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)[N-]OC(C)(C)CO)CCO1 ZINC000857285158 588903535 /nfs/dbraw/zinc/90/35/35/588903535.db2.gz ZIRFFOLVQFYNIQ-BDAKNGLRSA-N -1 3 231.292 0.620 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CCCCC(N)=O ZINC000857285887 588903944 /nfs/dbraw/zinc/90/39/44/588903944.db2.gz MYCPYFAFSMVDCE-VIFPVBQESA-N -1 3 246.307 0.097 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC000857285627 588903986 /nfs/dbraw/zinc/90/39/86/588903986.db2.gz HITNODAZDVLVJA-BIIVOSGPSA-N -1 3 237.246 0.952 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C[C@H]1CCOC1 ZINC000857286396 588903994 /nfs/dbraw/zinc/90/39/94/588903994.db2.gz ZVLFHLZGQANNRM-NXEZZACHSA-N -1 3 231.292 0.478 20 0 BCADHM C[C@H]1C[C@@H](Nc2cc(=O)[n-]cn2)c2ncnn21 ZINC000894493087 583473635 /nfs/dbraw/zinc/47/36/35/583473635.db2.gz SKIPHGSGEKUQGO-NKWVEPMBSA-N -1 3 232.247 0.892 20 0 BCADHM Cc1nc(N(C)C[C@H]2COCCO2)cc(=O)[n-]1 ZINC000894544244 583481532 /nfs/dbraw/zinc/48/15/32/583481532.db2.gz COELQNDQFZTCST-VIFPVBQESA-N -1 3 239.275 0.342 20 0 BCADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCO ZINC000011953812 588907628 /nfs/dbraw/zinc/90/76/28/588907628.db2.gz SRYAOLSBMRHPPW-SSDOTTSWSA-N -1 3 213.233 0.963 20 0 BCADHM O=c1cc(NC[C@H](O)[C@@H]2CCCO2)nc[n-]1 ZINC000894726843 583513564 /nfs/dbraw/zinc/51/35/64/583513564.db2.gz WKHAUZOTMPGQLJ-YUMQZZPRSA-N -1 3 225.248 0.134 20 0 BCADHM O=c1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)nc[n-]1 ZINC000894822203 583525806 /nfs/dbraw/zinc/52/58/06/583525806.db2.gz OUONPQDYWZVUNN-VAOFZXAKSA-N -1 3 221.260 0.532 20 0 BCADHM Cc1ccc([O-])c(CNC[C@@H]2COCO2)n1 ZINC000894873391 583540482 /nfs/dbraw/zinc/54/04/82/583540482.db2.gz RQJZDOWRECNNCG-SECBINFHSA-N -1 3 224.260 0.558 20 0 BCADHM COCCN1CCN(CCCCC(=O)[O-])CC1 ZINC000738065506 583551545 /nfs/dbraw/zinc/55/15/45/583551545.db2.gz QSVPGHYDXLZTTQ-UHFFFAOYSA-N -1 3 244.335 0.505 20 0 BCADHM Cc1ncnc(Sc2n[n-]c(CO)n2)c1C ZINC000882241529 583601103 /nfs/dbraw/zinc/60/11/03/583601103.db2.gz FZEPTQXBOUHEHS-UHFFFAOYSA-N -1 3 237.288 0.855 20 0 BCADHM CC(C)[C@H](NC(=O)[O-])C(=O)N(C)CCN(C)C ZINC000141808450 583606394 /nfs/dbraw/zinc/60/63/94/583606394.db2.gz NXUFKIOVXNXZHU-VIFPVBQESA-N -1 3 245.323 0.299 20 0 BCADHM CCOC(=O)CCN1CCC(C(=O)[O-])CC1 ZINC000142501440 583612188 /nfs/dbraw/zinc/61/21/88/583612188.db2.gz NVIQKSJISOYLSS-UHFFFAOYSA-N -1 3 229.276 0.736 20 0 BCADHM CO[C@@H](C)CC(=O)Nc1nnc(SC)[n-]1 ZINC000727486106 583660995 /nfs/dbraw/zinc/66/09/95/583660995.db2.gz CABBQZPXPVFYEO-YFKPBYRVSA-N -1 3 230.293 0.890 20 0 BCADHM CO[C@@H](C)CC(=O)Nc1nc(SC)n[n-]1 ZINC000727486106 583660996 /nfs/dbraw/zinc/66/09/96/583660996.db2.gz CABBQZPXPVFYEO-YFKPBYRVSA-N -1 3 230.293 0.890 20 0 BCADHM CO[C@@H](C)CC(=O)Nc1n[n-]c(SC)n1 ZINC000727486106 583660998 /nfs/dbraw/zinc/66/09/98/583660998.db2.gz CABBQZPXPVFYEO-YFKPBYRVSA-N -1 3 230.293 0.890 20 0 BCADHM [O-]c1ccc(CN(CCO)CCO)cc1F ZINC000895537328 583687418 /nfs/dbraw/zinc/68/74/18/583687418.db2.gz OAVKQNJLEVTJIS-UHFFFAOYSA-N -1 3 229.251 0.318 20 0 BCADHM CN1CC[C@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000895767599 583722996 /nfs/dbraw/zinc/72/29/96/583722996.db2.gz OKHOBFKNGASVOU-LURJTMIESA-N -1 3 228.683 0.952 20 0 BCADHM CO[C@H]1CN(Cc2nc(C)ccc2[O-])CCO1 ZINC000895968644 583755144 /nfs/dbraw/zinc/75/51/44/583755144.db2.gz PWHDSKGNZVYSBR-GFCCVEGCSA-N -1 3 238.287 0.900 20 0 BCADHM CCS(=O)(=O)[N-][C@@H](C)c1nc(N(C)C)no1 ZINC000896174134 583778363 /nfs/dbraw/zinc/77/83/63/583778363.db2.gz NREPUSDZFWZBPA-LURJTMIESA-N -1 3 248.308 0.136 20 0 BCADHM O=c1cc(NCCO[C@@H]2CCOC2)nc[n-]1 ZINC000896474816 583805136 /nfs/dbraw/zinc/80/51/36/583805136.db2.gz XQFYQVYNPANTCY-MRVPVSSYSA-N -1 3 225.248 0.400 20 0 BCADHM CCOCCOCCNc1cc(=O)[n-]c(C)n1 ZINC000896479244 583805396 /nfs/dbraw/zinc/80/53/96/583805396.db2.gz AIRZSGGVFBZZPR-UHFFFAOYSA-N -1 3 241.291 0.956 20 0 BCADHM CO[N-]C(=O)CN[C@@H]1CC[C@@H]1SC ZINC000896923742 583858854 /nfs/dbraw/zinc/85/88/54/583858854.db2.gz HNZMDJRTBDSDFK-RQJHMYQMSA-N -1 3 204.295 0.148 20 0 BCADHM OC1CC2(C[C@@H]2N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000897094076 583879387 /nfs/dbraw/zinc/87/93/87/583879387.db2.gz QQDYLWVCILFTGT-WINXVSCGSA-N -1 3 231.259 0.052 20 0 BCADHM COc1nn(C)cc1CNc1cc(=O)[n-]cn1 ZINC000897242707 583900899 /nfs/dbraw/zinc/90/08/99/583900899.db2.gz HIUOCTDBJQVYPO-UHFFFAOYSA-N -1 3 235.247 0.536 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCC[S@](C)=O)c1 ZINC000122808943 583905094 /nfs/dbraw/zinc/90/50/94/583905094.db2.gz MMQQVTADBISHEY-MRXNPFEDSA-N -1 3 241.312 0.809 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC2(C)CC2)nn1 ZINC000866914540 583908415 /nfs/dbraw/zinc/90/84/15/583908415.db2.gz YLULGVAVONZKFV-UHFFFAOYSA-N -1 3 241.316 0.863 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC[C@H]1CO ZINC000889159323 583982887 /nfs/dbraw/zinc/98/28/87/583982887.db2.gz DSEODTWYFGHJHU-VIFPVBQESA-N -1 3 221.256 0.907 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@@H]1CO ZINC000889159748 583983083 /nfs/dbraw/zinc/98/30/83/583983083.db2.gz NBYWZCOWLIBZIE-SSDOTTSWSA-N -1 3 226.207 0.133 20 0 BCADHM COc1ccnc(CN2CC[C@H](C(=O)[O-])C2)c1 ZINC000738142868 584010636 /nfs/dbraw/zinc/01/06/36/584010636.db2.gz PEMWJPFQKIUKPG-VIFPVBQESA-N -1 3 236.271 0.997 20 0 BCADHM CNC(=O)COC(=O)c1cc([O-])ccc1Cl ZINC000785869787 584014456 /nfs/dbraw/zinc/01/44/56/584014456.db2.gz NPYZVIISFFAASW-UHFFFAOYSA-N -1 3 243.646 0.948 20 0 BCADHM C[C@@H]1CO[C@H](C(=O)[N-]c2nncn2C2CC2)C1 ZINC000897695161 584040997 /nfs/dbraw/zinc/04/09/97/584040997.db2.gz XRSLRGYWGPZMDW-CBAPKCEASA-N -1 3 236.275 0.977 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H]1C[C@@H](C)CO1 ZINC000897694906 584041123 /nfs/dbraw/zinc/04/11/23/584041123.db2.gz SIOJENCISOMEJR-HTQZYQBOSA-N -1 3 224.264 0.662 20 0 BCADHM Cc1ccc([O-])c(CN[C@]2(C)CCNC2=O)n1 ZINC000897871189 584055926 /nfs/dbraw/zinc/05/59/26/584055926.db2.gz JEROTHHZRSZPHS-GFCCVEGCSA-N -1 3 235.287 0.464 20 0 BCADHM Cc1ccccc1CN1CC2(C1)NC(=O)[N-]C2=O ZINC000897907811 584059552 /nfs/dbraw/zinc/05/95/52/584059552.db2.gz NBVBHVPGBNLAHX-UHFFFAOYSA-N -1 3 245.282 0.389 20 0 BCADHM O=C(c1cc[nH]n1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211733 584092539 /nfs/dbraw/zinc/09/25/39/584092539.db2.gz UBRNKDOPEWJXMS-SSDOTTSWSA-N -1 3 247.258 0.468 20 0 BCADHM O=C(c1ccn[nH]1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211733 584092541 /nfs/dbraw/zinc/09/25/41/584092541.db2.gz UBRNKDOPEWJXMS-SSDOTTSWSA-N -1 3 247.258 0.468 20 0 BCADHM Cc1cc(=O)[n-]c(CNC(=O)c2ccn(C)c2)n1 ZINC000898261587 584103066 /nfs/dbraw/zinc/10/30/66/584103066.db2.gz DAHAQMAFAKGZKI-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CCCN(C)CC(=O)[N-]C1=NCCS1 ZINC000730104934 584123914 /nfs/dbraw/zinc/12/39/14/584123914.db2.gz WJJIGFGZHFGJGQ-UHFFFAOYSA-N -1 3 215.322 0.547 20 0 BCADHM C[C@@H]1C(=O)CC[C@@H](C(=O)[N-]OCCO)C1(C)C ZINC000787294424 584118178 /nfs/dbraw/zinc/11/81/78/584118178.db2.gz OPWPUUHDUCCBIL-BDAKNGLRSA-N -1 3 243.303 0.668 20 0 BCADHM C[C@H]1C(=O)CC[C@@H](C(=O)[N-]OCCO)C1(C)C ZINC000787294429 584118198 /nfs/dbraw/zinc/11/81/98/584118198.db2.gz OPWPUUHDUCCBIL-IUCAKERBSA-N -1 3 243.303 0.668 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1C[C@@H]2COC[C@@H]2C1 ZINC000872534264 584125582 /nfs/dbraw/zinc/12/55/82/584125582.db2.gz RHIVJTTWFHRDGU-KNVOCYPGSA-N -1 3 241.678 0.918 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000898744310 584155684 /nfs/dbraw/zinc/15/56/84/584155684.db2.gz ZAOOOJOTNGXBCX-ZNSHCXBVSA-N -1 3 249.314 0.661 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccc[nH]1 ZINC000898727972 584155948 /nfs/dbraw/zinc/15/59/48/584155948.db2.gz FSJPNZDERLVJEH-MRVPVSSYSA-N -1 3 234.259 0.257 20 0 BCADHM CC(C)[C@@H](F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739419 584157429 /nfs/dbraw/zinc/15/74/29/584157429.db2.gz JBHCMUTXEUCAJU-RKDXNWHRSA-N -1 3 243.282 0.609 20 0 BCADHM CC(C)[C@H](F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739412 584157634 /nfs/dbraw/zinc/15/76/34/584157634.db2.gz JBHCMUTXEUCAJU-BDAKNGLRSA-N -1 3 243.282 0.609 20 0 BCADHM CC1(C)CO[C@H](CC(=O)[N-]OCCO)C1 ZINC000898939265 584167323 /nfs/dbraw/zinc/16/73/23/584167323.db2.gz MLGMMDAFYBGNBK-MRVPVSSYSA-N -1 3 217.265 0.232 20 0 BCADHM Cc1cccc(CO[N-]C(=O)CN(C)C)n1 ZINC000898936048 584166572 /nfs/dbraw/zinc/16/65/72/584166572.db2.gz PPGOCKXIRLQHRR-UHFFFAOYSA-N -1 3 223.276 0.499 20 0 BCADHM CCOC(=O)CC(C)(C)CC(=O)[N-]OCCO ZINC000898938856 584166750 /nfs/dbraw/zinc/16/67/50/584166750.db2.gz ATRNRZLYWLCOMM-UHFFFAOYSA-N -1 3 247.291 0.396 20 0 BCADHM COc1ccc(CCC(=O)[N-]OCCO)cn1 ZINC000898938881 584166904 /nfs/dbraw/zinc/16/69/04/584166904.db2.gz BUEHDIYDJIIKRG-UHFFFAOYSA-N -1 3 240.259 0.063 20 0 BCADHM O=C([N-]OCCO)[C@@H]1CC12CCSCC2 ZINC000898939731 584167634 /nfs/dbraw/zinc/16/76/34/584167634.db2.gz VPIADPLGOUDIAU-QMMMGPOBSA-N -1 3 231.317 0.560 20 0 BCADHM CC1(C)CO[C@H](CCC(=O)[N-]OCCO)C1 ZINC000898939482 584167677 /nfs/dbraw/zinc/16/76/77/584167677.db2.gz QMGLVLRPLCHJJB-SECBINFHSA-N -1 3 231.292 0.622 20 0 BCADHM O=C(N[C@]12C[C@H]1COC2)c1cc(F)c[n-]c1=O ZINC000899244014 584186131 /nfs/dbraw/zinc/18/61/31/584186131.db2.gz UALJSQXZHUVWNJ-KGFZYKRKSA-N -1 3 238.218 0.445 20 0 BCADHM COC[C@H](C)[N-]c1nnc(-c2ncon2)o1 ZINC000899248760 584187739 /nfs/dbraw/zinc/18/77/39/584187739.db2.gz YNMSCGMUOQVVDK-YFKPBYRVSA-N -1 3 225.208 0.566 20 0 BCADHM O=C(N[C@]12C[C@H]1COC2)c1ccc2n[n-]nc2c1 ZINC000899248721 584188032 /nfs/dbraw/zinc/18/80/32/584188032.db2.gz VZFWLBUSSSBXSE-UFBFGSQYSA-N -1 3 244.254 0.477 20 0 BCADHM Cc1[n-]n(-c2nc[nH]n2)c(=O)c1C(C)C ZINC000899351176 584203806 /nfs/dbraw/zinc/20/38/06/584203806.db2.gz BPFNPOITNCYSHI-ZETCQYMHSA-N -1 3 207.237 0.799 20 0 BCADHM CC(=CCl)CS(=O)(=O)Cc1cnn[n-]1 ZINC000899496528 584217799 /nfs/dbraw/zinc/21/77/99/584217799.db2.gz KJODJFCVOXUHRN-KXFIGUGUSA-N -1 3 235.696 0.862 20 0 BCADHM CC(=CCl)CS(=O)(=O)Cc1c[n-]nn1 ZINC000899496528 584217801 /nfs/dbraw/zinc/21/78/01/584217801.db2.gz KJODJFCVOXUHRN-KXFIGUGUSA-N -1 3 235.696 0.862 20 0 BCADHM CC(=CCl)CS(=O)(=O)Cc1cn[n-]n1 ZINC000899496528 584217804 /nfs/dbraw/zinc/21/78/04/584217804.db2.gz KJODJFCVOXUHRN-KXFIGUGUSA-N -1 3 235.696 0.862 20 0 BCADHM N[C@H](C(=O)NCC(=O)[O-])C1CCCCCC1 ZINC000900453261 584313145 /nfs/dbraw/zinc/31/31/45/584313145.db2.gz IYVZXZYUHBXESJ-JTQLQIEISA-N -1 3 228.292 0.485 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@@H]1CCOC(=O)N1 ZINC000858678394 588973956 /nfs/dbraw/zinc/97/39/56/588973956.db2.gz MNIOTAIXGABSLU-QMMMGPOBSA-N -1 3 236.227 0.829 20 0 BCADHM O=C(Nc1noc2c1CCCC2)c1cnn[n-]1 ZINC000900776234 584349830 /nfs/dbraw/zinc/34/98/30/584349830.db2.gz LWUYWXPTQWQACM-UHFFFAOYSA-N -1 3 233.231 0.924 20 0 BCADHM O=C(Nc1noc2c1CCCC2)c1c[n-]nn1 ZINC000900776234 584349832 /nfs/dbraw/zinc/34/98/32/584349832.db2.gz LWUYWXPTQWQACM-UHFFFAOYSA-N -1 3 233.231 0.924 20 0 BCADHM O=C(Nc1noc2c1CCCC2)c1cn[n-]n1 ZINC000900776234 584349833 /nfs/dbraw/zinc/34/98/33/584349833.db2.gz LWUYWXPTQWQACM-UHFFFAOYSA-N -1 3 233.231 0.924 20 0 BCADHM CCN[C@H](C)C(=O)[N-]S(=O)(=O)c1ccoc1 ZINC000901033430 584375707 /nfs/dbraw/zinc/37/57/07/584375707.db2.gz KWEJSDFFDVTGNZ-SSDOTTSWSA-N -1 3 246.288 0.083 20 0 BCADHM CN[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000901018298 584377130 /nfs/dbraw/zinc/37/71/30/584377130.db2.gz HGGXAMAZOYZJRW-QMMMGPOBSA-N -1 3 248.348 0.373 20 0 BCADHM Cc1ccc(C(=O)[N-]S(=O)(=O)CCN)s1 ZINC000901093162 584384025 /nfs/dbraw/zinc/38/40/25/584384025.db2.gz CMBMUCJLFYDJLX-UHFFFAOYSA-N -1 3 248.329 0.075 20 0 BCADHM CCCCCCC(=O)[N-]S(=O)(=O)CCN ZINC000901093783 584384369 /nfs/dbraw/zinc/38/43/69/584384369.db2.gz KKDHTVWQGNFXBA-UHFFFAOYSA-N -1 3 236.337 0.362 20 0 BCADHM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCN)C1 ZINC000901095714 584384596 /nfs/dbraw/zinc/38/45/96/584384596.db2.gz JSFXABPRRYGLJR-RKDXNWHRSA-N -1 3 248.348 0.217 20 0 BCADHM NCCS(=O)(=O)[N-]C(=O)/C=C/C1CCCC1 ZINC000901098909 584385124 /nfs/dbraw/zinc/38/51/24/584385124.db2.gz PGPYEDGKQXPVTN-AATRIKPKSA-N -1 3 246.332 0.138 20 0 BCADHM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)CCN ZINC000901097916 584385133 /nfs/dbraw/zinc/38/51/33/584385133.db2.gz HTBSLDVFIPQJSU-QMMMGPOBSA-N -1 3 236.337 0.217 20 0 BCADHM C[C@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)CCN)C1 ZINC000901100669 584385568 /nfs/dbraw/zinc/38/55/68/584385568.db2.gz YQVMWYYVXBBLAH-INTFFVIUSA-N -1 3 246.332 0.138 20 0 BCADHM COc1cccc([O-])c1C(=O)N[C@H]1C[C@@H](O)C1 ZINC000901129274 584387716 /nfs/dbraw/zinc/38/77/16/584387716.db2.gz CIXZMDKNLSNRIF-OCAPTIKFSA-N -1 3 237.255 0.654 20 0 BCADHM CC(C)(O)[C@@H](O)C(=O)Nc1cc(F)ccc1[O-] ZINC000901221701 584410823 /nfs/dbraw/zinc/41/08/23/584410823.db2.gz MFILXQBRLWYEFX-VIFPVBQESA-N -1 3 243.234 0.602 20 0 BCADHM CCn1c(=O)[n-]nc1SC(COC)COC ZINC000901403389 584439639 /nfs/dbraw/zinc/43/96/39/584439639.db2.gz SONDOQDITXQHJF-UHFFFAOYSA-N -1 3 247.320 0.757 20 0 BCADHM CC[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)N(C)C ZINC000901478245 584449001 /nfs/dbraw/zinc/44/90/01/584449001.db2.gz WENQCSVRLCIQNH-AEJSXWLSSA-N -1 3 244.335 0.942 20 0 BCADHM C[C@H](NC(=O)[C@H](C)NC1CC(C)(C)C1)C(=O)[O-] ZINC000901742293 584489985 /nfs/dbraw/zinc/48/99/85/584489985.db2.gz SVPMEHURJFPDCR-YUMQZZPRSA-N -1 3 242.319 0.742 20 0 BCADHM Cn1nncc1CN[C@](C)(CCF)C(=O)[O-] ZINC000901918560 584503999 /nfs/dbraw/zinc/50/39/99/584503999.db2.gz FYMIBTZYEUYZEP-SECBINFHSA-N -1 3 230.243 0.108 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cnn(C2CCC2)c1 ZINC000901980078 584511538 /nfs/dbraw/zinc/51/15/38/584511538.db2.gz LVKRZXKSEOXMOC-UHFFFAOYSA-N -1 3 244.320 0.826 20 0 BCADHM C[C@H](CNC(=O)CN(C)CC(C)(C)C)C(=O)[O-] ZINC000902022116 584514483 /nfs/dbraw/zinc/51/44/83/584514483.db2.gz LKDANZDTTOQJEM-SECBINFHSA-N -1 3 244.335 0.801 20 0 BCADHM CCc1noc([N-]Cc2cn(CC)nn2)n1 ZINC000902098344 584525226 /nfs/dbraw/zinc/52/52/26/584525226.db2.gz VRXOTPMFUCEWHL-UHFFFAOYSA-N -1 3 222.252 0.856 20 0 BCADHM CC[C@@H](C(=O)N1CCC[C@@]1(C)C(=O)[O-])N(C)C ZINC000902111612 584527021 /nfs/dbraw/zinc/52/70/21/584527021.db2.gz CZTQSDWRXNGJBB-CABZTGNLSA-N -1 3 242.319 0.792 20 0 BCADHM CC(C)(C)CC(=O)[N-]OCC[C@@H]1CCNC1=O ZINC000902417888 584591510 /nfs/dbraw/zinc/59/15/10/584591510.db2.gz DOHYABOLDFVFLU-VIFPVBQESA-N -1 3 242.319 0.997 20 0 BCADHM C[C@@H](O)[C@@H](O)CNCc1cc([O-])cc(Cl)c1 ZINC000902632512 584647899 /nfs/dbraw/zinc/64/78/99/584647899.db2.gz NXQSWMHGZYJMNU-HQJQHLMTSA-N -1 3 245.706 0.877 20 0 BCADHM CC(C)[C@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)N(C)C ZINC000902660827 584650878 /nfs/dbraw/zinc/65/08/78/584650878.db2.gz BVHHDDTUHHZLRA-OPRDCNLKSA-N -1 3 242.319 0.552 20 0 BCADHM CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(=O)[O-] ZINC000902849814 584681746 /nfs/dbraw/zinc/68/17/46/584681746.db2.gz YPXVEJLEAPVWAY-VHSXEESVSA-N -1 3 244.335 0.800 20 0 BCADHM NS(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@@H]1F ZINC000902902400 584694060 /nfs/dbraw/zinc/69/40/60/584694060.db2.gz BPCQLSIZEVOMRP-IONNQARKSA-N -1 3 246.263 0.251 20 0 BCADHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)[N-]c1nnnn1C ZINC000904189167 584848409 /nfs/dbraw/zinc/84/84/09/584848409.db2.gz CORQCTPJVMWREK-FNCVBFRFSA-N -1 3 235.291 0.831 20 0 BCADHM C[C@@H](CC(F)(F)F)C(=O)[N-]c1nnnn1C ZINC000904190662 584848735 /nfs/dbraw/zinc/84/87/35/584848735.db2.gz CLSRVJNMQYKZGM-BYPYZUCNSA-N -1 3 237.185 0.737 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000904189377 584848786 /nfs/dbraw/zinc/84/87/86/584848786.db2.gz KXNPCRGJOIJTNU-PSVAKVPMSA-N -1 3 235.291 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@]12C[C@H]1COC21CCC1 ZINC000904189348 584848839 /nfs/dbraw/zinc/84/88/39/584848839.db2.gz JTOHDFRTOITDTR-CPCISQLKSA-N -1 3 249.274 0.108 20 0 BCADHM COCC1(C(=O)[N-]c2nnnn2C)CCCC1 ZINC000904190983 584848865 /nfs/dbraw/zinc/84/88/65/584848865.db2.gz FYFDQTRJKNMQFK-UHFFFAOYSA-N -1 3 239.279 0.355 20 0 BCADHM C[C@@H](Cc1ccco1)C(=O)[N-]c1nnnn1C ZINC000904190961 584848882 /nfs/dbraw/zinc/84/88/82/584848882.db2.gz MUUFARQLAMUDHU-ZETCQYMHSA-N -1 3 235.247 0.620 20 0 BCADHM C[C@H](Oc1ccccn1)C(=O)[N-]c1nnnn1C ZINC000904190682 584849037 /nfs/dbraw/zinc/84/90/37/584849037.db2.gz CRCFBFYTRJICOR-ZETCQYMHSA-N -1 3 248.246 0.011 20 0 BCADHM CCCC(C)(C)C(=O)[N-]c1nnnn1C ZINC000904191576 584849168 /nfs/dbraw/zinc/84/91/68/584849168.db2.gz LTIRDANXWPWDKN-UHFFFAOYSA-N -1 3 211.269 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000904191293 584849184 /nfs/dbraw/zinc/84/91/84/584849184.db2.gz JDTRLQATIRQBQO-CSMHCCOUSA-N -1 3 221.264 0.585 20 0 BCADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)[N-]c1nnnn1C ZINC000904191615 584849222 /nfs/dbraw/zinc/84/92/22/584849222.db2.gz UZFQZLANITYKGM-VGRMVHKJSA-N -1 3 221.264 0.441 20 0 BCADHM C[C@@H](CC(=O)[N-]c1nnnn1C)c1ccco1 ZINC000904191511 584849398 /nfs/dbraw/zinc/84/93/98/584849398.db2.gz SICXZWCHCDLLAP-ZETCQYMHSA-N -1 3 235.247 0.935 20 0 BCADHM Cn1nnnc1[N-]C(=O)C(C)(C)C(C)(F)F ZINC000904191910 584849513 /nfs/dbraw/zinc/84/95/13/584849513.db2.gz SHYADDXMACBXPV-UHFFFAOYSA-N -1 3 233.222 0.830 20 0 BCADHM CO[C@H](CC(C)C)C(=O)[N-]c1nnnn1C ZINC000904191632 584849517 /nfs/dbraw/zinc/84/95/17/584849517.db2.gz NDIJJABUPPJRAW-SSDOTTSWSA-N -1 3 227.268 0.210 20 0 BCADHM CO[C@@H]1CCC[C@H](C(=O)[N-]c2nnnn2C)C1 ZINC000904193563 584849705 /nfs/dbraw/zinc/84/97/05/584849705.db2.gz JYUWQOMBXOTAFL-JGVFFNPUSA-N -1 3 239.279 0.354 20 0 BCADHM CC1=C(C(=O)[N-]c2nnnn2C)SCCO1 ZINC000904194106 584849940 /nfs/dbraw/zinc/84/99/40/584849940.db2.gz UFJMJBDZHRIRFZ-UHFFFAOYSA-N -1 3 241.276 0.144 20 0 BCADHM CC(C)C[C@H](C)C(=O)[N-]c1nnnn1C ZINC000904195867 584850129 /nfs/dbraw/zinc/85/01/29/584850129.db2.gz RPFVBXWTYGVTIW-ZETCQYMHSA-N -1 3 211.269 0.831 20 0 BCADHM C[C@@H]1CC/C(=C\C(=O)[N-]c2nnnn2C)C1 ZINC000904194973 584850414 /nfs/dbraw/zinc/85/04/14/584850414.db2.gz PIZHJBZSRPARBD-UQBZRGDZSA-N -1 3 221.264 0.895 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)[N-]c2nnnn2C)CCC1=O ZINC000904196108 584850559 /nfs/dbraw/zinc/85/05/59/584850559.db2.gz SQFHINOSCDBZPF-RQJHMYQMSA-N -1 3 237.263 0.154 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1COc2ccccc21 ZINC000904198443 584850582 /nfs/dbraw/zinc/85/05/82/584850582.db2.gz DXHCZFFHWQAFPW-MRVPVSSYSA-N -1 3 245.242 0.325 20 0 BCADHM CC[C@@H](C)[C@H](C)C(=O)[N-]c1nnnn1C ZINC000904196514 584850782 /nfs/dbraw/zinc/85/07/82/584850782.db2.gz ZQTHLTHLBWTIFP-RQJHMYQMSA-N -1 3 211.269 0.831 20 0 BCADHM CC[C@H]1C[C@H](C(=O)[N-]c2nnnn2C)CCO1 ZINC000904195879 584850786 /nfs/dbraw/zinc/85/07/86/584850786.db2.gz RZUDGJGNWJGTFY-SFYZADRCSA-N -1 3 239.279 0.354 20 0 BCADHM CCC[C@H](C)CC(=O)[N-]c1nnnn1C ZINC000904200360 584851249 /nfs/dbraw/zinc/85/12/49/584851249.db2.gz SRXAHJZDFOALSI-ZETCQYMHSA-N -1 3 211.269 0.975 20 0 BCADHM CC[C@H](NC(=O)C1(N(C)C)CCC1)C(=O)[O-] ZINC000828914585 584904748 /nfs/dbraw/zinc/90/47/48/584904748.db2.gz CTCPOAJRAPGELC-QMMMGPOBSA-N -1 3 228.292 0.450 20 0 BCADHM O=C([O-])NCCN1CCC[C@@H]1Cn1cccn1 ZINC000832641902 584911733 /nfs/dbraw/zinc/91/17/33/584911733.db2.gz NHUMQXCVRHFKPQ-SNVBAGLBSA-N -1 3 238.291 0.615 20 0 BCADHM COCCN1CC[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000730788489 584915844 /nfs/dbraw/zinc/91/58/44/584915844.db2.gz URCCFIWDYJNRTH-SSDOTTSWSA-N -1 3 240.225 0.386 20 0 BCADHM CCCCCOC(=O)CN1CC(=O)[N-]C1=O ZINC000732355287 584936121 /nfs/dbraw/zinc/93/61/21/584936121.db2.gz JSVRCBPYZGHIKP-UHFFFAOYSA-N -1 3 228.248 0.272 20 0 BCADHM CCCCCCOC(=O)CN1CC(=O)[N-]C1=O ZINC000732358454 584936256 /nfs/dbraw/zinc/93/62/56/584936256.db2.gz ZHTBNUSMUXVBBO-UHFFFAOYSA-N -1 3 242.275 0.662 20 0 BCADHM CC(C)[C@@H](OC(=O)c1cncc([O-])c1)C(N)=O ZINC000732394455 584936693 /nfs/dbraw/zinc/93/66/93/584936693.db2.gz MLOWDEWHQMRNPD-SECBINFHSA-N -1 3 238.243 0.454 20 0 BCADHM CCC1(C(=O)[N-]OC(C)(C)CO)CC1 ZINC000836804857 584937055 /nfs/dbraw/zinc/93/70/55/584937055.db2.gz KZEPWUTYEFIDEY-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM CC[C@@H](C)NC(=O)CO[N-]C(=O)C(C)(C)C ZINC000732805519 584941236 /nfs/dbraw/zinc/94/12/36/584941236.db2.gz FJKKDVGBRUAILA-MRVPVSSYSA-N -1 3 230.308 0.995 20 0 BCADHM CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735472872 584977612 /nfs/dbraw/zinc/97/76/12/584977612.db2.gz BXERKHSNCLFSSY-UHFFFAOYSA-N -1 3 235.222 0.642 20 0 BCADHM CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735472872 584977613 /nfs/dbraw/zinc/97/76/13/584977613.db2.gz BXERKHSNCLFSSY-UHFFFAOYSA-N -1 3 235.222 0.642 20 0 BCADHM CC(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000735496889 584978528 /nfs/dbraw/zinc/97/85/28/584978528.db2.gz LUNBQTDCQZDTPJ-UHFFFAOYSA-N -1 3 222.179 0.931 20 0 BCADHM CC(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000735496889 584978529 /nfs/dbraw/zinc/97/85/29/584978529.db2.gz LUNBQTDCQZDTPJ-UHFFFAOYSA-N -1 3 222.179 0.931 20 0 BCADHM C[C@H](CCO)Nc1ncccc1-c1nnn[n-]1 ZINC000735985581 584985315 /nfs/dbraw/zinc/98/53/15/584985315.db2.gz HCLTWZANIHSZLP-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](CCO)Nc1ncccc1-c1nn[n-]n1 ZINC000735985581 584985316 /nfs/dbraw/zinc/98/53/16/584985316.db2.gz HCLTWZANIHSZLP-SSDOTTSWSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736234201 584992652 /nfs/dbraw/zinc/99/26/52/584992652.db2.gz IOAUYRJJXUSALZ-BQBZGAKWSA-N -1 3 244.258 0.278 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736234201 584992653 /nfs/dbraw/zinc/99/26/53/584992653.db2.gz IOAUYRJJXUSALZ-BQBZGAKWSA-N -1 3 244.258 0.278 20 0 BCADHM CCC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736309612 584997033 /nfs/dbraw/zinc/99/70/33/584997033.db2.gz QKTXQRZIZDCPDT-UHFFFAOYSA-N -1 3 218.220 0.610 20 0 BCADHM CCC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736309612 584997034 /nfs/dbraw/zinc/99/70/34/584997034.db2.gz QKTXQRZIZDCPDT-UHFFFAOYSA-N -1 3 218.220 0.610 20 0 BCADHM CC(C)C(=O)N1CCCN([C@H](C)C(=O)[O-])CC1 ZINC000736345947 584998596 /nfs/dbraw/zinc/99/85/96/584998596.db2.gz VEYGVTNRJYADGT-SNVBAGLBSA-N -1 3 242.319 0.650 20 0 BCADHM CCC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000736435028 585002040 /nfs/dbraw/zinc/00/20/40/585002040.db2.gz ISNQWBGVPDGJLP-VIFPVBQESA-N -1 3 248.290 0.835 20 0 BCADHM CCC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000736435028 585002041 /nfs/dbraw/zinc/00/20/41/585002041.db2.gz ISNQWBGVPDGJLP-VIFPVBQESA-N -1 3 248.290 0.835 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)/C=C/[C@H]1CCCO1 ZINC000819557770 585003459 /nfs/dbraw/zinc/00/34/59/585003459.db2.gz CXUIQAQLAYAHKM-PVTPVBHGSA-N -1 3 243.303 0.786 20 0 BCADHM C[C@H]1CCCN(CC(=O)NCCC(=O)[O-])C1 ZINC000736796696 585015005 /nfs/dbraw/zinc/01/50/05/585015005.db2.gz YDZAFTXFVXWYEL-VIFPVBQESA-N -1 3 228.292 0.309 20 0 BCADHM CCC(=O)N1CCCN(CCCC(=O)[O-])CC1 ZINC000736839374 585017082 /nfs/dbraw/zinc/01/70/82/585017082.db2.gz BYALLIRTHCYMCL-UHFFFAOYSA-N -1 3 242.319 0.796 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCO[C@@H](CN(C)C)C1 ZINC000736860166 585018048 /nfs/dbraw/zinc/01/80/48/585018048.db2.gz UDMZMCPQDKXKMG-VHSXEESVSA-N -1 3 230.308 0.112 20 0 BCADHM CN[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736883812 585018560 /nfs/dbraw/zinc/01/85/60/585018560.db2.gz RSJSAOBSADBCSO-VIFPVBQESA-N -1 3 247.258 0.300 20 0 BCADHM CN[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736883812 585018561 /nfs/dbraw/zinc/01/85/61/585018561.db2.gz RSJSAOBSADBCSO-VIFPVBQESA-N -1 3 247.258 0.300 20 0 BCADHM CC[C@H](C)[C@@H](NC(=O)CN(CC)CC)C(=O)[O-] ZINC000736876990 585018638 /nfs/dbraw/zinc/01/86/38/585018638.db2.gz JGWJXPSSBOMEIF-GXSJLCMTSA-N -1 3 244.335 0.944 20 0 BCADHM CC[C@H]1CN(CCC(=O)[O-])CCN1C[C@H](C)O ZINC000736945380 585019829 /nfs/dbraw/zinc/01/98/29/585019829.db2.gz WPFCSSYTWBKSCE-QWRGUYRKSA-N -1 3 244.335 0.238 20 0 BCADHM CCCN(CC(=O)NCCC(=O)[O-])C1CC1 ZINC000737007677 585022250 /nfs/dbraw/zinc/02/22/50/585022250.db2.gz LOVJUMXOBVJEGT-UHFFFAOYSA-N -1 3 228.292 0.452 20 0 BCADHM CCN(CCC(=O)[O-])C(=O)[C@H](C(C)C)N(C)C ZINC000737094419 585025528 /nfs/dbraw/zinc/02/55/28/585025528.db2.gz WJCFMOMFETZLCR-NSHDSACASA-N -1 3 244.335 0.896 20 0 BCADHM CCNC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000737123798 585026068 /nfs/dbraw/zinc/02/60/68/585026068.db2.gz ICPHXWLQJKJQSH-QMMMGPOBSA-N -1 3 228.292 0.308 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccncc1 ZINC000788081359 585027229 /nfs/dbraw/zinc/02/72/29/585027229.db2.gz GDLMDEOOBRKFFJ-VIFPVBQESA-N -1 3 237.259 0.593 20 0 BCADHM CN(C)[C@H]1CCN(C(=O)CCCNC(=O)[O-])C1 ZINC000737359619 585030683 /nfs/dbraw/zinc/03/06/83/585030683.db2.gz UDRZBDUEQBRVGI-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CN(Cc1cc(=O)c(O)co1)C(C)(C)C(=O)[O-] ZINC000737454581 585032905 /nfs/dbraw/zinc/03/29/05/585032905.db2.gz VJOMTHIIBLMVEG-UHFFFAOYSA-N -1 3 241.243 0.640 20 0 BCADHM CN1CCC[C@H](N2CCN(C(=O)[O-])CC2)C1 ZINC000737519690 585034785 /nfs/dbraw/zinc/03/47/85/585034785.db2.gz ILUXRSAEAUVHDE-JTQLQIEISA-N -1 3 227.308 0.376 20 0 BCADHM CC(C)(CO)N1CCN(CCCC(=O)[O-])CC1 ZINC000737593194 585036898 /nfs/dbraw/zinc/03/68/98/585036898.db2.gz LTHWYWNSZFGYNM-UHFFFAOYSA-N -1 3 244.335 0.240 20 0 BCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)CCC1CC1 ZINC000737777282 585038372 /nfs/dbraw/zinc/03/83/72/585038372.db2.gz SNRISHBBGFIGDA-UHFFFAOYSA-N -1 3 247.262 0.476 20 0 BCADHM CN(CCCCC(=O)[O-])[C@@H]1CCCCNC1=O ZINC000737990257 585039990 /nfs/dbraw/zinc/03/99/90/585039990.db2.gz VJQOLUGMXGANBY-SNVBAGLBSA-N -1 3 242.319 0.842 20 0 BCADHM O=C(NC1CCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738024621 585040432 /nfs/dbraw/zinc/04/04/32/585040432.db2.gz KXEOMKXBEBPKMY-UHFFFAOYSA-N -1 3 244.258 0.544 20 0 BCADHM O=C(NC1CCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738024621 585040433 /nfs/dbraw/zinc/04/04/33/585040433.db2.gz KXEOMKXBEBPKMY-UHFFFAOYSA-N -1 3 244.258 0.544 20 0 BCADHM O=C1OCC[C@H]1CCn1cc(-c2nnn[n-]2)cn1 ZINC000738317706 585042302 /nfs/dbraw/zinc/04/23/02/585042302.db2.gz FYNRTDTYOGWHGM-SSDOTTSWSA-N -1 3 248.246 0.016 20 0 BCADHM O=C1OCC[C@H]1CCn1cc(-c2nn[n-]n2)cn1 ZINC000738317706 585042303 /nfs/dbraw/zinc/04/23/03/585042303.db2.gz FYNRTDTYOGWHGM-SSDOTTSWSA-N -1 3 248.246 0.016 20 0 BCADHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CCCF ZINC000866982442 585047545 /nfs/dbraw/zinc/04/75/45/585047545.db2.gz VQRCILGZHRGKSR-ZDUSSCGKSA-N -1 3 246.329 0.298 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C=C1CCCC1 ZINC000839449030 585104105 /nfs/dbraw/zinc/10/41/05/585104105.db2.gz YBQLBCNXPWLLPO-UHFFFAOYSA-N -1 3 249.274 0.603 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C=C1CCCC1 ZINC000839449030 585104106 /nfs/dbraw/zinc/10/41/06/585104106.db2.gz YBQLBCNXPWLLPO-UHFFFAOYSA-N -1 3 249.274 0.603 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C=C1CCCC1 ZINC000839449030 585104107 /nfs/dbraw/zinc/10/41/07/585104107.db2.gz YBQLBCNXPWLLPO-UHFFFAOYSA-N -1 3 249.274 0.603 20 0 BCADHM Cc1nonc1C[N-]S(=O)(=O)CCC(C)C ZINC000742325082 585124371 /nfs/dbraw/zinc/12/43/71/585124371.db2.gz JAKWODPCFLGAGJ-UHFFFAOYSA-N -1 3 247.320 0.844 20 0 BCADHM CO[C@H](C)CCC(=O)[N-]OCC(C)(C)O ZINC000788220076 585141862 /nfs/dbraw/zinc/14/18/62/585141862.db2.gz NDZOXPABJXEUPN-MRVPVSSYSA-N -1 3 219.281 0.620 20 0 BCADHM COCCO[N-]C(=O)CCc1nccs1 ZINC000748771489 585195542 /nfs/dbraw/zinc/19/55/42/585195542.db2.gz NOUVRVGHSRAYLS-UHFFFAOYSA-N -1 3 230.289 0.770 20 0 BCADHM CC[C@H](C(=O)[N-]OCCOC)N(CC)CC ZINC000748773032 585195581 /nfs/dbraw/zinc/19/55/81/585195581.db2.gz VURDBULBZRXTAR-SNVBAGLBSA-N -1 3 232.324 0.801 20 0 BCADHM COCCO[N-]C(=O)CCCn1ccnc1 ZINC000748769168 585195614 /nfs/dbraw/zinc/19/56/14/585195614.db2.gz KHJAHZAYEKMPJJ-UHFFFAOYSA-N -1 3 227.264 0.358 20 0 BCADHM COCCON=C([O-])Nc1cc(C)on1 ZINC000749017282 585198196 /nfs/dbraw/zinc/19/81/96/585198196.db2.gz SJFZGTRXBHNJIE-UHFFFAOYSA-N -1 3 215.209 0.683 20 0 BCADHM COCCO[N-]C(=O)Nc1cc(C)on1 ZINC000749017282 585198197 /nfs/dbraw/zinc/19/81/97/585198197.db2.gz SJFZGTRXBHNJIE-UHFFFAOYSA-N -1 3 215.209 0.683 20 0 BCADHM COCCO[N-]C(=O)c1ccc(=O)[nH]c1C ZINC000749258697 585200846 /nfs/dbraw/zinc/20/08/46/585200846.db2.gz SOTXOMOFVBUZII-UHFFFAOYSA-N -1 3 226.232 0.403 20 0 BCADHM O=C([N-]O[C@@H]1CCCCO1)C1CCOCC1 ZINC000749622440 585204429 /nfs/dbraw/zinc/20/44/29/585204429.db2.gz DKWQSWLFUQGQBR-SNVBAGLBSA-N -1 3 229.276 0.987 20 0 BCADHM CC(C)OC(=O)C[N-]S(=O)(=O)CCCF ZINC000750156622 585211589 /nfs/dbraw/zinc/21/15/89/585211589.db2.gz OKGGCCBSFNTZCB-UHFFFAOYSA-N -1 3 241.284 0.217 20 0 BCADHM CC(C)CO[N-]C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000750221747 585212506 /nfs/dbraw/zinc/21/25/06/585212506.db2.gz RWLOUAZCFQSICG-SECBINFHSA-N -1 3 249.332 0.515 20 0 BCADHM COCSc1[n-]c(=O)nc(C)c1C(=O)OC ZINC000750492508 585215801 /nfs/dbraw/zinc/21/58/01/585215801.db2.gz NWIWZHWPDBJEPU-UHFFFAOYSA-N -1 3 244.272 0.973 20 0 BCADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)OC1CCCC1 ZINC000751567421 585232813 /nfs/dbraw/zinc/23/28/13/585232813.db2.gz SALDIKOEMQHZLU-ZETCQYMHSA-N -1 3 226.232 0.070 20 0 BCADHM CCCCCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000752877887 585251166 /nfs/dbraw/zinc/25/11/66/585251166.db2.gz FOIBYQRNXVKLHR-MRVPVSSYSA-N -1 3 234.321 0.584 20 0 BCADHM COC(=O)c1ccoc1CO[N-]C(C)=O ZINC000753118419 585253940 /nfs/dbraw/zinc/25/39/40/585253940.db2.gz OSUIIMQQIMBSPI-UHFFFAOYSA-N -1 3 213.189 0.634 20 0 BCADHM COCCCO[N-]C(=O)CC[C@H]1CCOC1 ZINC000805038293 585256623 /nfs/dbraw/zinc/25/66/23/585256623.db2.gz ZJAWWVCIWNKNOS-JTQLQIEISA-N -1 3 231.292 0.887 20 0 BCADHM CCN(CC(=O)[N-]OCCCOC)C1CC1 ZINC000805038199 585256738 /nfs/dbraw/zinc/25/67/38/585256738.db2.gz VUHRIJAYUWWJKT-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM COCCCO[N-]C(=O)C[C@@H]1CCCOC1 ZINC000805045849 585265443 /nfs/dbraw/zinc/26/54/43/585265443.db2.gz XHIQJPAYQHXOIY-JTQLQIEISA-N -1 3 231.292 0.887 20 0 BCADHM C[C@H](O)CNC(=O)c1cc2n[n-]nc2cc1F ZINC000753786148 585269032 /nfs/dbraw/zinc/26/90/32/585269032.db2.gz ONPVDRRUJWQOBT-YFKPBYRVSA-N -1 3 238.222 0.208 20 0 BCADHM O=C(NC1CC1)c1cc2n[n-]nc2cc1F ZINC000753981636 585274117 /nfs/dbraw/zinc/27/41/17/585274117.db2.gz PQWWMWKRAHUSOK-UHFFFAOYSA-N -1 3 220.207 0.989 20 0 BCADHM CCCn1cc(C(=O)[N-]c2ccon2)nn1 ZINC000755756167 585306005 /nfs/dbraw/zinc/30/60/05/585306005.db2.gz HJXGQYPOPNWWGQ-UHFFFAOYSA-N -1 3 221.220 0.928 20 0 BCADHM COCCO[N-]C(=O)Cc1cnccc1Cl ZINC000839699292 585335603 /nfs/dbraw/zinc/33/56/03/585335603.db2.gz VEICMZBMPWAVCE-UHFFFAOYSA-N -1 3 244.678 0.972 20 0 BCADHM CCCN(C)CC(=O)[N-]OCC(C)(C)O ZINC000839740131 585339587 /nfs/dbraw/zinc/33/95/87/585339587.db2.gz WUPKNZGHLXMHIM-UHFFFAOYSA-N -1 3 218.297 0.147 20 0 BCADHM COCCO[N-]C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000758163706 585351074 /nfs/dbraw/zinc/35/10/74/585351074.db2.gz JAIPESNKNLYKLF-QMMMGPOBSA-N -1 3 239.275 0.524 20 0 BCADHM Cc1cc([O-])ccc1C(=O)OCc1nnnn1C ZINC000758543987 585357030 /nfs/dbraw/zinc/35/70/30/585357030.db2.gz DKDYZEUNIVYZAL-UHFFFAOYSA-N -1 3 248.242 0.581 20 0 BCADHM CCO[N-]C(=O)Nc1ccc(C(N)=O)nc1 ZINC000759991835 585383961 /nfs/dbraw/zinc/38/39/61/585383961.db2.gz FSLADHGDTFXIJQ-UHFFFAOYSA-N -1 3 224.220 0.254 20 0 BCADHM CN1CCCC[C@H]1C(=O)[N-]OCC(F)F ZINC000760146375 585385968 /nfs/dbraw/zinc/38/59/68/585385968.db2.gz KOOAELKYLSWYEX-ZETCQYMHSA-N -1 3 222.235 0.784 20 0 BCADHM CC(C)[C@@H](C(=O)[N-]OCC(F)F)N(C)C ZINC000760143555 585386088 /nfs/dbraw/zinc/38/60/88/585386088.db2.gz VBZGOYDFLVMMPX-QMMMGPOBSA-N -1 3 224.251 0.886 20 0 BCADHM O=C(OCc1cc(=O)c([O-])co1)c1cc[nH]n1 ZINC000761081760 585407035 /nfs/dbraw/zinc/40/70/35/585407035.db2.gz XEMVOWIYFHWIRT-UHFFFAOYSA-N -1 3 236.183 0.426 20 0 BCADHM COCCC(=O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000761865060 585421134 /nfs/dbraw/zinc/42/11/34/585421134.db2.gz NHXXSJYHPNVECW-UHFFFAOYSA-N -1 3 246.650 0.208 20 0 BCADHM O=C([N-]OCCO)C1Cc2ccccc2C1 ZINC000762278473 585430390 /nfs/dbraw/zinc/43/03/90/585430390.db2.gz WUVFPXXSHDIEJA-UHFFFAOYSA-N -1 3 221.256 0.442 20 0 BCADHM Cc1cccc(F)c1NC([O-])=NOCC(N)=O ZINC000764693942 585471263 /nfs/dbraw/zinc/47/12/63/585471263.db2.gz YKNHFGJNEAAQEO-UHFFFAOYSA-N -1 3 241.222 0.673 20 0 BCADHM Cc1cccc(F)c1NC(=O)[N-]OCC(N)=O ZINC000764693942 585471264 /nfs/dbraw/zinc/47/12/64/585471264.db2.gz YKNHFGJNEAAQEO-UHFFFAOYSA-N -1 3 241.222 0.673 20 0 BCADHM CC[C@@H](C(=O)[N-]S(C)(=O)=O)N(CC)CC ZINC000765967491 585494975 /nfs/dbraw/zinc/49/49/75/585494975.db2.gz QTNHKWLPHZJITL-QMMMGPOBSA-N -1 3 236.337 0.183 20 0 BCADHM C[C@@H](CO)COC(=O)c1cncc([O-])c1 ZINC000766711176 585506268 /nfs/dbraw/zinc/50/62/68/585506268.db2.gz FXRUNWAFYUUWOP-ZETCQYMHSA-N -1 3 211.217 0.572 20 0 BCADHM CCCN(C)CC(=O)[N-]OCC(F)(F)F ZINC000766772055 585508328 /nfs/dbraw/zinc/50/83/28/585508328.db2.gz ULZLQQOTVBDQOH-UHFFFAOYSA-N -1 3 228.214 0.938 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000766772276 585508347 /nfs/dbraw/zinc/50/83/47/585508347.db2.gz XRRQDBBGLCTHRJ-LURJTMIESA-N -1 3 226.198 0.691 20 0 BCADHM CCN(CC)CC(=O)[N-]OCC(F)(F)F ZINC000766776726 585508505 /nfs/dbraw/zinc/50/85/05/585508505.db2.gz SUSCOBQVRCFJCX-UHFFFAOYSA-N -1 3 228.214 0.938 20 0 BCADHM C[C@H]1COCC[C@@H]1C(=O)[N-]OC1CCOCC1 ZINC000768001701 585529369 /nfs/dbraw/zinc/52/93/69/585529369.db2.gz AIKIEMVPVBQAMK-ONGXEEELSA-N -1 3 243.303 0.886 20 0 BCADHM O=C(O[C@H]1CCNC1=O)c1ccc([O-])cc1 ZINC000769951908 585567267 /nfs/dbraw/zinc/56/72/67/585567267.db2.gz WLBLGQNUKOSMPA-VIFPVBQESA-N -1 3 221.212 0.438 20 0 BCADHM O=C(O[C@@H]1CCNC1=O)c1ccc([O-])cc1 ZINC000769951906 585567341 /nfs/dbraw/zinc/56/73/41/585567341.db2.gz WLBLGQNUKOSMPA-SECBINFHSA-N -1 3 221.212 0.438 20 0 BCADHM CO[N-]C(=O)CCC(=O)c1ccccn1 ZINC000771137513 585591215 /nfs/dbraw/zinc/59/12/15/585591215.db2.gz SONRLKLXEWRURG-UHFFFAOYSA-N -1 3 208.217 0.722 20 0 BCADHM C[C@@]1([N-]S(=O)(=O)CC2CC2)CCOC1=O ZINC000810102286 585593604 /nfs/dbraw/zinc/59/36/04/585593604.db2.gz HGUYXMJPCJYQMR-SECBINFHSA-N -1 3 233.289 0.021 20 0 BCADHM COCc1ccc(NC([O-])=NOCCO)cc1 ZINC000772587817 585618743 /nfs/dbraw/zinc/61/87/43/585618743.db2.gz PPUUIVCHZBYPRD-UHFFFAOYSA-N -1 3 240.259 0.878 20 0 BCADHM COCc1ccc(NC(=O)[N-]OCCO)cc1 ZINC000772587817 585618744 /nfs/dbraw/zinc/61/87/44/585618744.db2.gz PPUUIVCHZBYPRD-UHFFFAOYSA-N -1 3 240.259 0.878 20 0 BCADHM CCOCCO[N-]C(=O)c1ccncc1F ZINC000772694907 585621063 /nfs/dbraw/zinc/62/10/63/585621063.db2.gz BATGIACJPHOLPW-UHFFFAOYSA-N -1 3 228.223 0.919 20 0 BCADHM O=C([N-]OC1CCOCC1)C1CC(=O)C1 ZINC000772725485 585622388 /nfs/dbraw/zinc/62/23/88/585622388.db2.gz WRXPWELGFZQESS-UHFFFAOYSA-N -1 3 213.233 0.192 20 0 BCADHM O=C(c1nnc[n-]1)N1CCOc2cc(F)ccc21 ZINC000772793615 585624188 /nfs/dbraw/zinc/62/41/88/585624188.db2.gz PPGSIVNXFOQQJP-UHFFFAOYSA-N -1 3 248.217 0.983 20 0 BCADHM O=C(c1nc[n-]n1)N1CCOc2cc(F)ccc21 ZINC000772793615 585624189 /nfs/dbraw/zinc/62/41/89/585624189.db2.gz PPGSIVNXFOQQJP-UHFFFAOYSA-N -1 3 248.217 0.983 20 0 BCADHM Cn1cc([C@@H](O)C(=O)Nc2ccccc2[O-])cn1 ZINC000773849653 585645084 /nfs/dbraw/zinc/64/50/84/585645084.db2.gz FKEZXEDPTZIYGG-LLVKDONJSA-N -1 3 247.254 0.798 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]OCCOCC ZINC000775233648 585673738 /nfs/dbraw/zinc/67/37/38/585673738.db2.gz IREFSFUUKKUVHY-VIFPVBQESA-N -1 3 219.281 0.622 20 0 BCADHM C[C@@H](C(=O)[N-]OC1CCOCC1)N(C)C ZINC000775241294 585673802 /nfs/dbraw/zinc/67/38/02/585673802.db2.gz NXSRWXSDGZWUDB-QMMMGPOBSA-N -1 3 216.281 0.163 20 0 BCADHM CCOCCON=C([O-])Nc1nnc(C)s1 ZINC000775417386 585677748 /nfs/dbraw/zinc/67/77/48/585677748.db2.gz PBALJUPPAHMKLN-UHFFFAOYSA-N -1 3 246.292 0.936 20 0 BCADHM CCOCCO[N-]C(=O)Nc1nnc(C)s1 ZINC000775417386 585677749 /nfs/dbraw/zinc/67/77/49/585677749.db2.gz PBALJUPPAHMKLN-UHFFFAOYSA-N -1 3 246.292 0.936 20 0 BCADHM CCOC(=O)[C@H](C)OC(=O)c1n[n-]nc1C ZINC000805546281 585678908 /nfs/dbraw/zinc/67/89/08/585678908.db2.gz LIDYABCPSNBFNQ-LURJTMIESA-N -1 3 227.220 0.222 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1cnc(C)nc1 ZINC000805547008 585679646 /nfs/dbraw/zinc/67/96/46/585679646.db2.gz NZJWRTKQDQCGCH-UHFFFAOYSA-N -1 3 233.231 0.569 20 0 BCADHM COCCO[N-]C(=O)CC(C)(C)CC(=O)OC ZINC000775785067 585684727 /nfs/dbraw/zinc/68/47/27/585684727.db2.gz XHYLCADNPHANGC-UHFFFAOYSA-N -1 3 247.291 0.660 20 0 BCADHM COCc1cccc(NC([O-])=NOCCO)c1 ZINC000776296487 585695230 /nfs/dbraw/zinc/69/52/30/585695230.db2.gz QCROUXYQNGOCMJ-UHFFFAOYSA-N -1 3 240.259 0.878 20 0 BCADHM COCc1cccc(NC(=O)[N-]OCCO)c1 ZINC000776296487 585695231 /nfs/dbraw/zinc/69/52/31/585695231.db2.gz QCROUXYQNGOCMJ-UHFFFAOYSA-N -1 3 240.259 0.878 20 0 BCADHM COCCC1(C(=O)[N-]OCCO)CCC1 ZINC000776581796 585701301 /nfs/dbraw/zinc/70/13/01/585701301.db2.gz LZZLLAURZSNFAM-UHFFFAOYSA-N -1 3 217.265 0.233 20 0 BCADHM CC1(C)C(C(=O)[N-]OCCO)C1(C)C ZINC000776582283 585701372 /nfs/dbraw/zinc/70/13/72/585701372.db2.gz RQDKUSRNZFFBCA-UHFFFAOYSA-N -1 3 201.266 0.709 20 0 BCADHM CC[C@H](C(=O)[N-]OCCO)N(CC)CC ZINC000776585025 585701437 /nfs/dbraw/zinc/70/14/37/585701437.db2.gz MYOYVSFHNZLELX-SECBINFHSA-N -1 3 218.297 0.147 20 0 BCADHM NC(=O)CCCC(=O)[N-]OCc1cccnc1 ZINC000776677087 585703118 /nfs/dbraw/zinc/70/31/18/585703118.db2.gz UFSONNRFGMGBOD-UHFFFAOYSA-N -1 3 237.259 0.285 20 0 BCADHM CCOc1ccccc1C(=O)[N-]N1CN=NC1=O ZINC000777766864 585719966 /nfs/dbraw/zinc/71/99/66/585719966.db2.gz CDOIYDLIEBSIPA-UHFFFAOYSA-N -1 3 248.242 0.766 20 0 BCADHM OCC[C@@H]1CCCN1c1nc2nncc-2c(O)[n-]1 ZINC000777821771 585720541 /nfs/dbraw/zinc/72/05/41/585720541.db2.gz FXBKLPVULQBTJO-ZETCQYMHSA-N -1 3 249.274 0.410 20 0 BCADHM C[C@H](OC(=O)c1cnn[n-]1)C(=O)C1CC1 ZINC000805603037 585727579 /nfs/dbraw/zinc/72/75/79/585727579.db2.gz CXCQIUAOOBLAGQ-YFKPBYRVSA-N -1 3 209.205 0.329 20 0 BCADHM C[C@H](OC(=O)c1c[n-]nn1)C(=O)C1CC1 ZINC000805603037 585727580 /nfs/dbraw/zinc/72/75/80/585727580.db2.gz CXCQIUAOOBLAGQ-YFKPBYRVSA-N -1 3 209.205 0.329 20 0 BCADHM Cc1ncc(COC(=O)c2cnn[n-]2)s1 ZINC000805603270 585727962 /nfs/dbraw/zinc/72/79/62/585727962.db2.gz HLUCOGYXQCFGFE-UHFFFAOYSA-N -1 3 224.245 0.927 20 0 BCADHM Cc1ncc(COC(=O)c2c[n-]nn2)s1 ZINC000805603270 585727963 /nfs/dbraw/zinc/72/79/63/585727963.db2.gz HLUCOGYXQCFGFE-UHFFFAOYSA-N -1 3 224.245 0.927 20 0 BCADHM O=C(OC[C@H](F)C(F)(F)F)c1cnn[n-]1 ZINC000805603350 585728102 /nfs/dbraw/zinc/72/81/02/585728102.db2.gz HWTKTEOZXPJOSF-BYPYZUCNSA-N -1 3 227.117 0.862 20 0 BCADHM O=C(OC[C@H](F)C(F)(F)F)c1c[n-]nn1 ZINC000805603350 585728103 /nfs/dbraw/zinc/72/81/03/585728103.db2.gz HWTKTEOZXPJOSF-BYPYZUCNSA-N -1 3 227.117 0.862 20 0 BCADHM O=C(COC(=O)c1cnn[n-]1)C1CCC1 ZINC000805604270 585730714 /nfs/dbraw/zinc/73/07/14/585730714.db2.gz BKAXXHDRJVGEJL-UHFFFAOYSA-N -1 3 209.205 0.331 20 0 BCADHM O=C(COC(=O)c1c[n-]nn1)C1CCC1 ZINC000805604270 585730715 /nfs/dbraw/zinc/73/07/15/585730715.db2.gz BKAXXHDRJVGEJL-UHFFFAOYSA-N -1 3 209.205 0.331 20 0 BCADHM Cc1noc(CCCOC(=O)c2cnn[n-]2)n1 ZINC000805605324 585731877 /nfs/dbraw/zinc/73/18/77/585731877.db2.gz YCSQZHDHCJAWST-UHFFFAOYSA-N -1 3 237.219 0.286 20 0 BCADHM Cc1noc(CCCOC(=O)c2c[n-]nn2)n1 ZINC000805605324 585731878 /nfs/dbraw/zinc/73/18/78/585731878.db2.gz YCSQZHDHCJAWST-UHFFFAOYSA-N -1 3 237.219 0.286 20 0 BCADHM CCOC(=O)CCCOC(=O)c1cnn[n-]1 ZINC000805607205 585734519 /nfs/dbraw/zinc/73/45/19/585734519.db2.gz TYANCKKACQYQGL-UHFFFAOYSA-N -1 3 227.220 0.305 20 0 BCADHM CCOC(=O)CCCOC(=O)c1c[n-]nn1 ZINC000805607205 585734520 /nfs/dbraw/zinc/73/45/20/585734520.db2.gz TYANCKKACQYQGL-UHFFFAOYSA-N -1 3 227.220 0.305 20 0 BCADHM CCCCCNC(=O)COC(=O)c1cnn[n-]1 ZINC000805607096 585734541 /nfs/dbraw/zinc/73/45/41/585734541.db2.gz GTBZQAXVRDGSGB-UHFFFAOYSA-N -1 3 240.263 0.268 20 0 BCADHM CCCCCNC(=O)COC(=O)c1c[n-]nn1 ZINC000805607096 585734542 /nfs/dbraw/zinc/73/45/42/585734542.db2.gz GTBZQAXVRDGSGB-UHFFFAOYSA-N -1 3 240.263 0.268 20 0 BCADHM CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cnn[n-]1 ZINC000805607067 585734580 /nfs/dbraw/zinc/73/45/80/585734580.db2.gz GEBMTTUVYZZJPW-RNFRBKRXSA-N -1 3 240.263 0.265 20 0 BCADHM CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1c[n-]nn1 ZINC000805607067 585734581 /nfs/dbraw/zinc/73/45/81/585734581.db2.gz GEBMTTUVYZZJPW-RNFRBKRXSA-N -1 3 240.263 0.265 20 0 BCADHM O=C(OCCO[C@@H]1CCCCO1)c1cnn[n-]1 ZINC000805607570 585734911 /nfs/dbraw/zinc/73/49/11/585734911.db2.gz YDVJQRXCADLLSC-SECBINFHSA-N -1 3 241.247 0.505 20 0 BCADHM O=C(OCCO[C@@H]1CCCCO1)c1c[n-]nn1 ZINC000805607570 585734912 /nfs/dbraw/zinc/73/49/12/585734912.db2.gz YDVJQRXCADLLSC-SECBINFHSA-N -1 3 241.247 0.505 20 0 BCADHM CC(C)OCCCOC(=O)c1cnn[n-]1 ZINC000805607982 585735314 /nfs/dbraw/zinc/73/53/14/585735314.db2.gz VMGJKWNESCLFOB-UHFFFAOYSA-N -1 3 213.237 0.777 20 0 BCADHM CC(C)OCCCOC(=O)c1c[n-]nn1 ZINC000805607982 585735315 /nfs/dbraw/zinc/73/53/15/585735315.db2.gz VMGJKWNESCLFOB-UHFFFAOYSA-N -1 3 213.237 0.777 20 0 BCADHM CC(C)c1nnc(COC(=O)c2cnn[n-]2)o1 ZINC000805608400 585735481 /nfs/dbraw/zinc/73/54/81/585735481.db2.gz CWVDMXLQRXWFNG-UHFFFAOYSA-N -1 3 237.219 0.668 20 0 BCADHM CC(C)c1nnc(COC(=O)c2c[n-]nn2)o1 ZINC000805608400 585735482 /nfs/dbraw/zinc/73/54/82/585735482.db2.gz CWVDMXLQRXWFNG-UHFFFAOYSA-N -1 3 237.219 0.668 20 0 BCADHM Cc1ccncc1COC(=O)c1cnn[n-]1 ZINC000805609768 585736337 /nfs/dbraw/zinc/73/63/37/585736337.db2.gz UKPUWLAPJKHOOC-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM Cc1ccncc1COC(=O)c1c[n-]nn1 ZINC000805609768 585736338 /nfs/dbraw/zinc/73/63/38/585736338.db2.gz UKPUWLAPJKHOOC-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM Cc1cc(C(=O)O[C@@H](C)C(N)=O)ccc1[O-] ZINC000778852495 585741760 /nfs/dbraw/zinc/74/17/60/585741760.db2.gz HQULOTOZYJOJMB-ZETCQYMHSA-N -1 3 223.228 0.731 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCC=CO2)[n-]1 ZINC000778956863 585742763 /nfs/dbraw/zinc/74/27/63/585742763.db2.gz TXSIJWCAPJKEBE-ZCFIWIBFSA-N -1 3 224.220 0.445 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCC=CO2)n[n-]1 ZINC000778956863 585742764 /nfs/dbraw/zinc/74/27/64/585742764.db2.gz TXSIJWCAPJKEBE-ZCFIWIBFSA-N -1 3 224.220 0.445 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCC=CO2)n1 ZINC000778956863 585742765 /nfs/dbraw/zinc/74/27/65/585742765.db2.gz TXSIJWCAPJKEBE-ZCFIWIBFSA-N -1 3 224.220 0.445 20 0 BCADHM CC=CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000778963343 585743207 /nfs/dbraw/zinc/74/32/07/585743207.db2.gz BSIBGIOPZQAHEP-ARJAWSKDSA-N -1 3 209.205 0.711 20 0 BCADHM C[C@@H](C(=O)[N-]OCCC(F)(F)F)N(C)C ZINC000779324471 585751239 /nfs/dbraw/zinc/75/12/39/585751239.db2.gz BGGPNBHGVMRKLP-LURJTMIESA-N -1 3 228.214 0.937 20 0 BCADHM O=C([N-]c1nc(C2CC2)no1)c1ccncn1 ZINC000779379946 585752770 /nfs/dbraw/zinc/75/27/70/585752770.db2.gz JPBDLSAOZFTWQU-UHFFFAOYSA-N -1 3 231.215 0.989 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCc1ccccc1 ZINC000779466188 585755406 /nfs/dbraw/zinc/75/54/06/585755406.db2.gz AEGLDZRIVAVMCY-UHFFFAOYSA-N -1 3 231.259 0.781 20 0 BCADHM Cc1ccc(CC(=O)[N-]c2nnnn2C)cc1 ZINC000779466354 585755565 /nfs/dbraw/zinc/75/55/65/585755565.db2.gz DPDNRHBAYLHVJJ-UHFFFAOYSA-N -1 3 231.259 0.700 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCc1cccs1 ZINC000779467889 585755726 /nfs/dbraw/zinc/75/57/26/585755726.db2.gz ZGYARMQIDQGGHL-UHFFFAOYSA-N -1 3 237.288 0.843 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H](CO)C1CC1 ZINC000779679225 585758785 /nfs/dbraw/zinc/75/87/85/585758785.db2.gz XFJFVZDMBFVRIA-YJEWXARHSA-N -1 3 248.282 0.688 20 0 BCADHM CCCCN(C)CCNC(=O)N[C@H](C)C(=O)[O-] ZINC000780573915 585781704 /nfs/dbraw/zinc/78/17/04/585781704.db2.gz WYNRTJGMROFBCN-SECBINFHSA-N -1 3 245.323 0.491 20 0 BCADHM O=C(N[C@@H](CO)C1CC1)c1ccc(O)cc1[O-] ZINC000781016570 585788709 /nfs/dbraw/zinc/78/87/09/585788709.db2.gz YPFOJTILYSUIEG-JTQLQIEISA-N -1 3 237.255 0.599 20 0 BCADHM C[C@@H](O[N-]C(=O)C(C)(C)C)C(=O)NC1CC1 ZINC000781616064 585800662 /nfs/dbraw/zinc/80/06/62/585800662.db2.gz DMTAGLIHTWCNNF-SSDOTTSWSA-N -1 3 228.292 0.747 20 0 BCADHM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000782459947 585818729 /nfs/dbraw/zinc/81/87/29/585818729.db2.gz QFSIDEJUCPRJCS-SSDOTTSWSA-N -1 3 247.272 0.510 20 0 BCADHM O=C([N-]N1CCCNC1=O)c1cncc(F)c1 ZINC000783600351 585838040 /nfs/dbraw/zinc/83/80/40/585838040.db2.gz IDSQRQAKIWCIEJ-UHFFFAOYSA-N -1 3 238.222 0.281 20 0 BCADHM Cc1cc(C(=O)NN2CCCNC2=O)ccc1[O-] ZINC000783600418 585838042 /nfs/dbraw/zinc/83/80/42/585838042.db2.gz IYZSHQACXAXYBH-UHFFFAOYSA-N -1 3 249.270 0.761 20 0 BCADHM O=C(N[C@@H](CO)C1CC1)c1cccc2nn[n-]c21 ZINC000783692397 585840473 /nfs/dbraw/zinc/84/04/73/585840473.db2.gz SWXABEVTRKWTCU-JTQLQIEISA-N -1 3 246.270 0.459 20 0 BCADHM O=C(N[C@@H](CO)C1CC1)c1cccc2[n-]nnc21 ZINC000783692397 585840474 /nfs/dbraw/zinc/84/04/74/585840474.db2.gz SWXABEVTRKWTCU-JTQLQIEISA-N -1 3 246.270 0.459 20 0 BCADHM O=C(N[C@@H](CO)C1CC1)c1cccc2n[n-]nc21 ZINC000783692397 585840475 /nfs/dbraw/zinc/84/04/75/585840475.db2.gz SWXABEVTRKWTCU-JTQLQIEISA-N -1 3 246.270 0.459 20 0 BCADHM O=C(N1CCCC1)N1CCc2c(=O)[n-]cnc2C1 ZINC000783925886 585845756 /nfs/dbraw/zinc/84/57/56/585845756.db2.gz WZGAOQPCNUTJQJ-UHFFFAOYSA-N -1 3 248.286 0.756 20 0 BCADHM CC(C)C(C)(C)C(=O)[N-]OCC(N)=O ZINC000784459990 585860768 /nfs/dbraw/zinc/86/07/68/585860768.db2.gz MZWZRMQGAQBUOX-UHFFFAOYSA-N -1 3 202.254 0.202 20 0 BCADHM O=C(CCOCc1ccccc1)[N-]OCCO ZINC000787292369 585904083 /nfs/dbraw/zinc/90/40/83/585904083.db2.gz FDKWQENJKLLXBK-UHFFFAOYSA-N -1 3 239.271 0.633 20 0 BCADHM C[C@@H]1CCC[C@H]1CC(=O)[N-]OCCO ZINC000787281352 585904590 /nfs/dbraw/zinc/90/45/90/585904590.db2.gz BLAHVOJORLPASI-BDAKNGLRSA-N -1 3 201.266 0.853 20 0 BCADHM COC(=O)CC(C)(C)CC(=O)[N-]OCCO ZINC000787283770 585904910 /nfs/dbraw/zinc/90/49/10/585904910.db2.gz DXNFUXSWAJTBLX-UHFFFAOYSA-N -1 3 233.264 0.006 20 0 BCADHM O=C([N-]OCCO)c1c[nH]c(=O)c2ccccc12 ZINC000787291119 585905187 /nfs/dbraw/zinc/90/51/87/585905187.db2.gz HQHDTZJFJRJNIQ-UHFFFAOYSA-N -1 3 248.238 0.594 20 0 BCADHM CC[C@@]([N-]C(=O)C(F)F)(C(N)=O)C(C)C ZINC000787510679 585910719 /nfs/dbraw/zinc/91/07/19/585910719.db2.gz JGFKRIPYEVBOQF-VIFPVBQESA-N -1 3 222.235 0.658 20 0 BCADHM CS/C=C\C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788269662 585920145 /nfs/dbraw/zinc/92/01/45/585920145.db2.gz CTVKZQRYDWEXRU-QIUOEGRZSA-N -1 3 217.290 0.947 20 0 BCADHM Cn1cc(NC([O-])=NOC[C@@H]2CCOC2)cn1 ZINC000788278345 585920992 /nfs/dbraw/zinc/92/09/92/585920992.db2.gz JDMNBWJYMAVJTG-MRVPVSSYSA-N -1 3 240.263 0.510 20 0 BCADHM Cn1cc(NC(=O)[N-]OC[C@@H]2CCOC2)cn1 ZINC000788278345 585920993 /nfs/dbraw/zinc/92/09/93/585920993.db2.gz JDMNBWJYMAVJTG-MRVPVSSYSA-N -1 3 240.263 0.510 20 0 BCADHM Cn1ccc(NC([O-])=NOC[C@H]2CCOC2)n1 ZINC000788287576 585921297 /nfs/dbraw/zinc/92/12/97/585921297.db2.gz VQFCGCAEASOLQK-QMMMGPOBSA-N -1 3 240.263 0.510 20 0 BCADHM Cn1ccc(NC(=O)[N-]OC[C@H]2CCOC2)n1 ZINC000788287576 585921298 /nfs/dbraw/zinc/92/12/98/585921298.db2.gz VQFCGCAEASOLQK-QMMMGPOBSA-N -1 3 240.263 0.510 20 0 BCADHM COC(=O)CCCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788591613 585927494 /nfs/dbraw/zinc/92/74/94/585927494.db2.gz LXLVAYXGIPSCCS-SECBINFHSA-N -1 3 245.275 0.414 20 0 BCADHM CCON=C([O-])Nc1cn(C)nc1OC ZINC000789323688 585939886 /nfs/dbraw/zinc/93/98/86/585939886.db2.gz ZUAISPRIAZXACH-UHFFFAOYSA-N -1 3 214.225 0.502 20 0 BCADHM CCO[N-]C(=O)Nc1cn(C)nc1OC ZINC000789323688 585939887 /nfs/dbraw/zinc/93/98/87/585939887.db2.gz ZUAISPRIAZXACH-UHFFFAOYSA-N -1 3 214.225 0.502 20 0 BCADHM COCCO[N-]C(=O)Cc1ccncc1C ZINC000790448671 585964914 /nfs/dbraw/zinc/96/49/14/585964914.db2.gz BGQBIRPWDFEGJX-UHFFFAOYSA-N -1 3 224.260 0.627 20 0 BCADHM Cc1cccc(NC([O-])=NOCCO)n1 ZINC000790576253 585966545 /nfs/dbraw/zinc/96/65/45/585966545.db2.gz GPVNUAIFRPGNFM-UHFFFAOYSA-N -1 3 211.221 0.435 20 0 BCADHM Cc1cccc(NC(=O)[N-]OCCO)n1 ZINC000790576253 585966546 /nfs/dbraw/zinc/96/65/46/585966546.db2.gz GPVNUAIFRPGNFM-UHFFFAOYSA-N -1 3 211.221 0.435 20 0 BCADHM Cc1n[n-]nc1C(=O)OCC(=O)c1ccc[nH]1 ZINC000791048271 585972763 /nfs/dbraw/zinc/97/27/63/585972763.db2.gz NSVHKCLCSZZLBJ-UHFFFAOYSA-N -1 3 234.215 0.481 20 0 BCADHM CCNC(=O)CCCC(=O)[N-]OCC(C)(C)O ZINC000791261203 585975557 /nfs/dbraw/zinc/97/55/57/585975557.db2.gz ASJBQQHGBFISAR-UHFFFAOYSA-N -1 3 246.307 0.112 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000792040066 585994673 /nfs/dbraw/zinc/99/46/73/585994673.db2.gz NPWIMCKSOUMDPW-SSDOTTSWSA-N -1 3 240.225 0.938 20 0 BCADHM COCc1csc(NC([O-])=NOCCO)n1 ZINC000792318071 585999792 /nfs/dbraw/zinc/99/97/92/585999792.db2.gz RQCSUUQADNLRBW-UHFFFAOYSA-N -1 3 247.276 0.335 20 0 BCADHM COCc1csc(NC(=O)[N-]OCCO)n1 ZINC000792318071 585999793 /nfs/dbraw/zinc/99/97/93/585999793.db2.gz RQCSUUQADNLRBW-UHFFFAOYSA-N -1 3 247.276 0.335 20 0 BCADHM CN(C)c1cccc(NC([O-])=NOCCO)n1 ZINC000792359457 585999954 /nfs/dbraw/zinc/99/99/54/585999954.db2.gz JHEVAEDIGJPMLH-UHFFFAOYSA-N -1 3 240.263 0.193 20 0 BCADHM CN(C)c1cccc(NC(=O)[N-]OCCO)n1 ZINC000792359457 585999955 /nfs/dbraw/zinc/99/99/55/585999955.db2.gz JHEVAEDIGJPMLH-UHFFFAOYSA-N -1 3 240.263 0.193 20 0 BCADHM CCc1nn(C)cc1NC([O-])=NOCCOC ZINC000792356363 586000097 /nfs/dbraw/zinc/00/00/97/586000097.db2.gz LJKLQPJMHAHYQA-UHFFFAOYSA-N -1 3 242.279 0.682 20 0 BCADHM CCc1nn(C)cc1NC(=O)[N-]OCCOC ZINC000792356363 586000098 /nfs/dbraw/zinc/00/00/98/586000098.db2.gz LJKLQPJMHAHYQA-UHFFFAOYSA-N -1 3 242.279 0.682 20 0 BCADHM Cc1nonc1C(=O)NCc1ncccc1[O-] ZINC000792613835 586003307 /nfs/dbraw/zinc/00/33/07/586003307.db2.gz TUPOFMCBTQSKBB-UHFFFAOYSA-N -1 3 234.215 0.409 20 0 BCADHM O=C(C[C@@H]1CCCOC1)Nc1ccncc1[O-] ZINC000793744258 586025843 /nfs/dbraw/zinc/02/58/43/586025843.db2.gz DQSHDKUCFOEGRM-VIFPVBQESA-N -1 3 236.271 0.964 20 0 BCADHM O=C(C[C@H]1CCCOC1)Nc1ccncc1[O-] ZINC000793744256 586025856 /nfs/dbraw/zinc/02/58/56/586025856.db2.gz DQSHDKUCFOEGRM-SECBINFHSA-N -1 3 236.271 0.964 20 0 BCADHM C[C@H]1C(=O)CC[C@H]1CC(=O)[N-]OCCO ZINC000793855766 586027999 /nfs/dbraw/zinc/02/79/99/586027999.db2.gz OPUBTWCYXICALU-SFYZADRCSA-N -1 3 215.249 0.032 20 0 BCADHM CSCCO[N-]C(=O)C[C@H]1CCCO1 ZINC000794191949 586034643 /nfs/dbraw/zinc/03/46/43/586034643.db2.gz XVHJREYUNSUEKH-MRVPVSSYSA-N -1 3 219.306 0.966 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]OCCSC ZINC000794190080 586034796 /nfs/dbraw/zinc/03/47/96/586034796.db2.gz PSCIITJRJHMKMI-ZETCQYMHSA-N -1 3 235.305 0.596 20 0 BCADHM CSCCO[N-]C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000794194737 586035023 /nfs/dbraw/zinc/03/50/23/586035023.db2.gz GAJBGPVYMGOZPQ-QMMMGPOBSA-N -1 3 246.332 0.266 20 0 BCADHM Cc1nnccc1NC([O-])=NOCC(C)(C)O ZINC000794284448 586036770 /nfs/dbraw/zinc/03/67/70/586036770.db2.gz NQRHSPRNFVCFNM-UHFFFAOYSA-N -1 3 240.263 0.609 20 0 BCADHM Cc1nnccc1NC(=O)[N-]OCC(C)(C)O ZINC000794284448 586036771 /nfs/dbraw/zinc/03/67/71/586036771.db2.gz NQRHSPRNFVCFNM-UHFFFAOYSA-N -1 3 240.263 0.609 20 0 BCADHM COCCO[N-]C(=O)CCc1cncnc1 ZINC000794458994 586040230 /nfs/dbraw/zinc/04/02/30/586040230.db2.gz RURUMKMHDBJWDN-UHFFFAOYSA-N -1 3 225.248 0.103 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC000794843219 586050426 /nfs/dbraw/zinc/05/04/26/586050426.db2.gz PEDWFLUBCQUZNG-YIZRAAEISA-N -1 3 229.276 0.889 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000794840954 586050454 /nfs/dbraw/zinc/05/04/54/586050454.db2.gz BGDFQSOXVDFMKU-ZJUUUORDSA-N -1 3 242.319 0.949 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000794843981 586050755 /nfs/dbraw/zinc/05/07/55/586050755.db2.gz UFKZTNXDKQFRDX-DTWKUNHWSA-N -1 3 249.332 0.515 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1cc(C)ncn1 ZINC000795576275 586086527 /nfs/dbraw/zinc/08/65/27/586086527.db2.gz YTTLRYIAPVMXQS-UHFFFAOYSA-N -1 3 233.231 0.569 20 0 BCADHM Cn1cc([C@@H](CO)[N-]C(=O)C(C)(F)F)cn1 ZINC000808464820 586091606 /nfs/dbraw/zinc/09/16/06/586091606.db2.gz CXIXJKDXGBBDCZ-SSDOTTSWSA-N -1 3 233.218 0.225 20 0 BCADHM CSCCON=C([O-])Nc1cccnn1 ZINC000797634482 586129703 /nfs/dbraw/zinc/12/97/03/586129703.db2.gz PGCOSJCSMHGMTI-UHFFFAOYSA-N -1 3 228.277 0.893 20 0 BCADHM CSCCO[N-]C(=O)Nc1cccnn1 ZINC000797634482 586129704 /nfs/dbraw/zinc/12/97/04/586129704.db2.gz PGCOSJCSMHGMTI-UHFFFAOYSA-N -1 3 228.277 0.893 20 0 BCADHM CC(C)c1nn(C)cc1NC([O-])=NOCCO ZINC000797682218 586130084 /nfs/dbraw/zinc/13/00/84/586130084.db2.gz JJCMHRYYLKCTQX-UHFFFAOYSA-N -1 3 242.279 0.589 20 0 BCADHM CC(C)c1nn(C)cc1NC(=O)[N-]OCCO ZINC000797682218 586130085 /nfs/dbraw/zinc/13/00/85/586130085.db2.gz JJCMHRYYLKCTQX-UHFFFAOYSA-N -1 3 242.279 0.589 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CC[C@H]1CCOC1 ZINC000798249078 586141781 /nfs/dbraw/zinc/14/17/81/586141781.db2.gz BNHGYEAGZFPIFP-VIFPVBQESA-N -1 3 231.292 0.622 20 0 BCADHM CCON=C([O-])Nc1ccc(C(=O)OC)nn1 ZINC000799232234 586168428 /nfs/dbraw/zinc/16/84/28/586168428.db2.gz CDGOGEHUITYGHN-UHFFFAOYSA-N -1 3 240.219 0.336 20 0 BCADHM CCO[N-]C(=O)Nc1ccc(C(=O)OC)nn1 ZINC000799232234 586168429 /nfs/dbraw/zinc/16/84/29/586168429.db2.gz CDGOGEHUITYGHN-UHFFFAOYSA-N -1 3 240.219 0.336 20 0 BCADHM COCCO[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC000801098230 586241922 /nfs/dbraw/zinc/24/19/22/586241922.db2.gz LXQKQXONIKMIMT-WDSKDSINSA-N -1 3 209.192 0.582 20 0 BCADHM CC1(C)CCN1C(=O)c1cc(=O)[n-]cn1 ZINC000859510510 589042114 /nfs/dbraw/zinc/04/21/14/589042114.db2.gz UBAJKKWRQVAHIS-UHFFFAOYSA-N -1 3 207.233 0.807 20 0 BCADHM CCO[N-]C(=O)Nc1cnn(CCF)c1 ZINC000861486224 589166514 /nfs/dbraw/zinc/16/65/14/589166514.db2.gz UIPIOAXZROTWQW-UHFFFAOYSA-N -1 3 216.216 0.926 20 0 BCADHM O=C(OCc1cn[nH]c1)c1cncc([O-])c1 ZINC000803347701 586345852 /nfs/dbraw/zinc/34/58/52/586345852.db2.gz RUFRWLCXIRHKOO-UHFFFAOYSA-N -1 3 219.200 0.867 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H]1CCC=CO1 ZINC000803526655 586364354 /nfs/dbraw/zinc/36/43/54/586364354.db2.gz FIYBVLSNRYAUGI-QMMMGPOBSA-N -1 3 222.248 0.929 20 0 BCADHM COCCCON=C([O-])Nc1cnc(C)nc1 ZINC000806255908 586407818 /nfs/dbraw/zinc/40/78/18/586407818.db2.gz DJQUOMKHERTDNR-UHFFFAOYSA-N -1 3 240.263 0.875 20 0 BCADHM COCCCO[N-]C(=O)Nc1cnc(C)nc1 ZINC000806255908 586407819 /nfs/dbraw/zinc/40/78/19/586407819.db2.gz DJQUOMKHERTDNR-UHFFFAOYSA-N -1 3 240.263 0.875 20 0 BCADHM O=C(O[C@H]1CNOC1)c1ccc2nn[n-]c2c1 ZINC000808091134 586463314 /nfs/dbraw/zinc/46/33/14/586463314.db2.gz DUAMBCPOSBUPJB-ZETCQYMHSA-N -1 3 234.215 0.018 20 0 BCADHM O=C(O[C@H]1CNOC1)c1ccc2[n-]nnc2c1 ZINC000808091134 586463315 /nfs/dbraw/zinc/46/33/15/586463315.db2.gz DUAMBCPOSBUPJB-ZETCQYMHSA-N -1 3 234.215 0.018 20 0 BCADHM O=C(O[C@H]1CNOC1)c1ccc2n[n-]nc2c1 ZINC000808091134 586463316 /nfs/dbraw/zinc/46/33/16/586463316.db2.gz DUAMBCPOSBUPJB-ZETCQYMHSA-N -1 3 234.215 0.018 20 0 BCADHM CC(F)(F)C(=O)[N-][C@H]1CCCCNC1=O ZINC000808455601 586472710 /nfs/dbraw/zinc/47/27/10/586472710.db2.gz IAORMIHACCCLOS-LURJTMIESA-N -1 3 220.219 0.427 20 0 BCADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ncn(C)n1 ZINC000808466393 586474651 /nfs/dbraw/zinc/47/46/51/586474651.db2.gz CQBJOMOMTKVHTD-YFKPBYRVSA-N -1 3 218.207 0.648 20 0 BCADHM CN(C)c1noc(C[N-]C(=O)C(C)(F)F)n1 ZINC000808470852 586475514 /nfs/dbraw/zinc/47/55/14/586475514.db2.gz KQAASCPCGQJLSI-UHFFFAOYSA-N -1 3 234.206 0.407 20 0 BCADHM CCO[C@H](COC(=O)c1cnn[n-]1)C1CC1 ZINC000859692704 589055433 /nfs/dbraw/zinc/05/54/33/589055433.db2.gz HWVHNEHYIXTFFO-SECBINFHSA-N -1 3 225.248 0.777 20 0 BCADHM CCO[C@H](COC(=O)c1c[n-]nn1)C1CC1 ZINC000859692704 589055435 /nfs/dbraw/zinc/05/54/35/589055435.db2.gz HWVHNEHYIXTFFO-SECBINFHSA-N -1 3 225.248 0.777 20 0 BCADHM CCO[C@@H](COC(=O)c1cnn[n-]1)C1CC1 ZINC000859692705 589055458 /nfs/dbraw/zinc/05/54/58/589055458.db2.gz HWVHNEHYIXTFFO-VIFPVBQESA-N -1 3 225.248 0.777 20 0 BCADHM CCO[C@@H](COC(=O)c1c[n-]nn1)C1CC1 ZINC000859692705 589055459 /nfs/dbraw/zinc/05/54/59/589055459.db2.gz HWVHNEHYIXTFFO-VIFPVBQESA-N -1 3 225.248 0.777 20 0 BCADHM CC(C)CS(=O)(=O)[N-][C@]1(C)CCOC1=O ZINC000810103293 586534192 /nfs/dbraw/zinc/53/41/92/586534192.db2.gz OWPNYRWXXVYLGX-SECBINFHSA-N -1 3 235.305 0.267 20 0 BCADHM CC(C)(C)CS(=O)(=O)[N-][C@@]1(C)CCOC1=O ZINC000810103472 586534257 /nfs/dbraw/zinc/53/42/57/586534257.db2.gz PXTDMWVBQDXMHW-JTQLQIEISA-N -1 3 249.332 0.658 20 0 BCADHM COc1ccnc(C[N-]C(=O)C(F)F)c1 ZINC000810702675 586544848 /nfs/dbraw/zinc/54/48/48/586544848.db2.gz RARPPXKAIMXNBC-UHFFFAOYSA-N -1 3 216.187 0.972 20 0 BCADHM Cc1nc([C@H](C)OC(=O)c2n[n-]nc2C)no1 ZINC000811206267 586557127 /nfs/dbraw/zinc/55/71/27/586557127.db2.gz SQHCWSZOALFGGN-YFKPBYRVSA-N -1 3 237.219 0.723 20 0 BCADHM CCc1cc(C(=O)O[C@H]2CCNC2=O)ccc1[O-] ZINC000811305620 586557900 /nfs/dbraw/zinc/55/79/00/586557900.db2.gz PVXMCQRIVOTPQQ-NSHDSACASA-N -1 3 249.266 1.000 20 0 BCADHM C[C@@H](CS(C)(=O)=O)C(=O)[N-]OC1CCC1 ZINC000812792186 586585606 /nfs/dbraw/zinc/58/56/06/586585606.db2.gz OHRAXQDKRJXGMW-ZETCQYMHSA-N -1 3 235.305 0.267 20 0 BCADHM CC(=O)N1CCC[C@@H](C(=O)[N-]OC2CCC2)C1 ZINC000812794734 586585746 /nfs/dbraw/zinc/58/57/46/586585746.db2.gz DEMRVCIUELUSPJ-SNVBAGLBSA-N -1 3 240.303 0.845 20 0 BCADHM CC(=O)N1CCC[C@H](C(=O)[N-]OC2CCC2)C1 ZINC000812794733 586585992 /nfs/dbraw/zinc/58/59/92/586585992.db2.gz DEMRVCIUELUSPJ-JTQLQIEISA-N -1 3 240.303 0.845 20 0 BCADHM CC(C)OCCO[N-]C(=O)Cc1cncnc1 ZINC000812807354 586587099 /nfs/dbraw/zinc/58/70/99/586587099.db2.gz LBVJWSRLNPSIML-UHFFFAOYSA-N -1 3 239.275 0.492 20 0 BCADHM Cn1cnc(C(=O)[N-]c2ccc(F)nc2F)n1 ZINC000813214633 586597183 /nfs/dbraw/zinc/59/71/83/586597183.db2.gz AUJRQPLBHYWHBH-UHFFFAOYSA-N -1 3 239.185 0.741 20 0 BCADHM O=C([N-]OCCO)[C@H]1CCCCCC(=O)C1 ZINC000813523990 586602932 /nfs/dbraw/zinc/60/29/32/586602932.db2.gz LOMLWEOWLIQNJH-VIFPVBQESA-N -1 3 229.276 0.566 20 0 BCADHM COC(=O)c1cc(C(=O)OCCCO)c[n-]1 ZINC000814528953 586623731 /nfs/dbraw/zinc/62/37/31/586623731.db2.gz LPPVTONRAGQJAC-UHFFFAOYSA-N -1 3 227.216 0.341 20 0 BCADHM COC(=O)c1cc(C(=O)OC[C@@H](C)O)c[n-]1 ZINC000814531391 586623897 /nfs/dbraw/zinc/62/38/97/586623897.db2.gz QVWXBBVISZJTRC-ZCFIWIBFSA-N -1 3 227.216 0.339 20 0 BCADHM COC(=O)c1cc(C(=O)OC[C@@H](C)OC)c[n-]1 ZINC000814532123 586623978 /nfs/dbraw/zinc/62/39/78/586623978.db2.gz OTNIIXZPLRJNIT-SSDOTTSWSA-N -1 3 241.243 0.993 20 0 BCADHM C[C@H]1CC[C@@H](OC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000815231077 586674546 /nfs/dbraw/zinc/67/45/46/586674546.db2.gz YHUKHHKSIKMECT-RNJXMRFFSA-N -1 3 240.259 0.316 20 0 BCADHM C[C@@H]1CC[C@H](OC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000815231074 586674626 /nfs/dbraw/zinc/67/46/26/586674626.db2.gz YHUKHHKSIKMECT-CSMHCCOUSA-N -1 3 240.259 0.316 20 0 BCADHM O=C(Nc1cn[nH]n1)c1cc2c(cc1[O-])OCO2 ZINC000816318586 586717984 /nfs/dbraw/zinc/71/79/84/586717984.db2.gz YDFKLRKBPKAATO-UHFFFAOYSA-N -1 3 248.198 0.491 20 0 BCADHM O=C(Nc1c[nH]nn1)c1cc2c(cc1[O-])OCO2 ZINC000816318586 586717985 /nfs/dbraw/zinc/71/79/85/586717985.db2.gz YDFKLRKBPKAATO-UHFFFAOYSA-N -1 3 248.198 0.491 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C[C@@H]1CCOC1 ZINC000816382288 586723045 /nfs/dbraw/zinc/72/30/45/586723045.db2.gz JUYUBEGSEBUMOC-QMMMGPOBSA-N -1 3 217.265 0.232 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@@]2(C)CCCO2)CC1 ZINC000816534753 586738935 /nfs/dbraw/zinc/73/89/35/586738935.db2.gz TUUURFWBTVFVEQ-GFCCVEGCSA-N -1 3 242.319 0.698 20 0 BCADHM O=C(O[C@H]1CNOC1)c1ccc(F)cc1[O-] ZINC000816573530 586741808 /nfs/dbraw/zinc/74/18/08/586741808.db2.gz BLLLZINMIMATEG-ZETCQYMHSA-N -1 3 227.191 0.592 20 0 BCADHM O=C(N[C@@H]1COC(=O)C1)c1ccc2n[n-]nc2c1 ZINC000816679024 586754693 /nfs/dbraw/zinc/75/46/93/586754693.db2.gz DSFPVFQBTLOCJV-ZETCQYMHSA-N -1 3 246.226 0.003 20 0 BCADHM CO[N-]C(=O)Cc1cnccc1Cl ZINC000816845795 586767092 /nfs/dbraw/zinc/76/70/92/586767092.db2.gz CDCIPMWJYZFHTB-UHFFFAOYSA-N -1 3 200.625 0.955 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]C2=NCCS2)C1 ZINC000816844205 586767327 /nfs/dbraw/zinc/76/73/27/586767327.db2.gz SRCNTLGDHVHZBY-MRVPVSSYSA-N -1 3 227.333 0.547 20 0 BCADHM O=C(C[C@@H]1CCC(=O)N1)[N-]O[C@H]1CCCCO1 ZINC000816913212 586771267 /nfs/dbraw/zinc/77/12/67/586771267.db2.gz BTNYABTVHGBWBX-KWQFWETISA-N -1 3 242.275 0.230 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000816913962 586771459 /nfs/dbraw/zinc/77/14/59/586771459.db2.gz YTYGNNVHDFHDNJ-CMPLNLGQSA-N -1 3 242.319 0.903 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)CCc1nnc[nH]1 ZINC000816979335 586774459 /nfs/dbraw/zinc/77/44/59/586774459.db2.gz MTTJIJLDHYQBES-MRVPVSSYSA-N -1 3 226.280 0.831 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)[C@H]1CCC(=O)NC1 ZINC000816976057 586776244 /nfs/dbraw/zinc/77/62/44/586776244.db2.gz VIJKBZVYVSVTJZ-BDAKNGLRSA-N -1 3 228.292 0.607 20 0 BCADHM NC(=O)CCCCC(=O)[N-]OCC1CC1 ZINC000817349716 586798607 /nfs/dbraw/zinc/79/86/07/586798607.db2.gz FTJZWJOSYUVQEY-UHFFFAOYSA-N -1 3 214.265 0.490 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]OCCC1CC1 ZINC000817403359 586800670 /nfs/dbraw/zinc/80/06/70/586800670.db2.gz FTKBRVGUGPLSOI-JTQLQIEISA-N -1 3 212.293 0.929 20 0 BCADHM O=C([N-]OCCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000817426314 586804499 /nfs/dbraw/zinc/80/44/99/586804499.db2.gz XWZGJLVFORGPFC-SECBINFHSA-N -1 3 247.316 0.269 20 0 BCADHM C[C@H](C(=O)[O-])N(C)Cc1cc(=O)c(O)co1 ZINC000817779421 586827175 /nfs/dbraw/zinc/82/71/75/586827175.db2.gz OGLHNGWJSZQVAF-ZCFIWIBFSA-N -1 3 227.216 0.250 20 0 BCADHM CO[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000859879540 589068805 /nfs/dbraw/zinc/06/88/05/589068805.db2.gz STWXBOALRWDTRY-SSDOTTSWSA-N -1 3 223.232 0.043 20 0 BCADHM C[C@@H](N[C@H]1CCCn2ncnc21)C(=O)[O-] ZINC000818046310 586866472 /nfs/dbraw/zinc/86/64/72/586866472.db2.gz RLOXKIFOJCCZIA-RQJHMYQMSA-N -1 3 210.237 0.176 20 0 BCADHM C[C@H](N[C@@H]1CCCn2ncnc21)C(=O)[O-] ZINC000818046308 586866572 /nfs/dbraw/zinc/86/65/72/586866572.db2.gz RLOXKIFOJCCZIA-NKWVEPMBSA-N -1 3 210.237 0.176 20 0 BCADHM CC[C@@H](C(=O)NCCCC(=O)[O-])N(C)C ZINC000818132309 586872376 /nfs/dbraw/zinc/87/23/76/586872376.db2.gz QHHATCDWAFSFPV-QMMMGPOBSA-N -1 3 216.281 0.308 20 0 BCADHM COC(=O)/C(C)=C\CN1CC[C@@H](C(=O)[O-])C1 ZINC000818500314 586895360 /nfs/dbraw/zinc/89/53/60/586895360.db2.gz AJXLZMXXJPHMCD-PTDYZRSTSA-N -1 3 227.260 0.512 20 0 BCADHM COCCn1cc(CN[C@H](C)CC(=O)[O-])cn1 ZINC000818547823 586899660 /nfs/dbraw/zinc/89/96/60/586899660.db2.gz WHTUYRDCLUWHIW-SECBINFHSA-N -1 3 241.291 0.482 20 0 BCADHM CN1C(=O)CN([N-]C(=O)C(F)=C2CCC2)C1=O ZINC000819452723 586965527 /nfs/dbraw/zinc/96/55/27/586965527.db2.gz XLERQURYJSQSLV-UHFFFAOYSA-N -1 3 241.222 0.319 20 0 BCADHM CCC(=O)N[C@@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819763229 586991153 /nfs/dbraw/zinc/99/11/53/586991153.db2.gz BNRPIKWJVQLUEI-BQBZGAKWSA-N -1 3 243.332 0.509 20 0 BCADHM COC(=O)C1(C(=O)[N-]C2=NC[C@@H](C)S2)CC1 ZINC000819777031 586992612 /nfs/dbraw/zinc/99/26/12/586992612.db2.gz RNSYORSDBGLURD-ZCFIWIBFSA-N -1 3 242.300 0.547 20 0 BCADHM CC(C)[C@@H](O)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819777597 586993363 /nfs/dbraw/zinc/99/33/63/586993363.db2.gz KRYWXPFOPRHIMS-NKWVEPMBSA-N -1 3 216.306 0.611 20 0 BCADHM CC[C@H](O)CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819779906 586993986 /nfs/dbraw/zinc/99/39/86/586993986.db2.gz CGPDRORDZIPTRT-BQBZGAKWSA-N -1 3 216.306 0.755 20 0 BCADHM CC[C@@H](C(=O)[N-]C1=NC[C@H](C)S1)C(=O)OC ZINC000819781711 586994262 /nfs/dbraw/zinc/99/42/62/586994262.db2.gz LUILJQYNPNEUCU-BQBZGAKWSA-N -1 3 244.316 0.793 20 0 BCADHM CC(C)(O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000819991295 587011543 /nfs/dbraw/zinc/01/15/43/587011543.db2.gz FGXXUINKXPJDCQ-UHFFFAOYSA-N -1 3 234.263 0.445 20 0 BCADHM CC(C)(O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000819991295 587011545 /nfs/dbraw/zinc/01/15/45/587011545.db2.gz FGXXUINKXPJDCQ-UHFFFAOYSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](CC(=O)[O-])NCC(=O)NC1CCCC1 ZINC000820078476 587019272 /nfs/dbraw/zinc/01/92/72/587019272.db2.gz MMCBFFXPUOXLOS-MRVPVSSYSA-N -1 3 228.292 0.498 20 0 BCADHM CC(C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820131387 587025766 /nfs/dbraw/zinc/02/57/66/587025766.db2.gz CCNGDXSRYVHDFG-UHFFFAOYSA-N -1 3 245.286 0.934 20 0 BCADHM CC(C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820131387 587025769 /nfs/dbraw/zinc/02/57/69/587025769.db2.gz CCNGDXSRYVHDFG-UHFFFAOYSA-N -1 3 245.286 0.934 20 0 BCADHM C[C@H](CC(N)=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820235333 587037208 /nfs/dbraw/zinc/03/72/08/587037208.db2.gz RVBNSSDIWFAOMK-SSDOTTSWSA-N -1 3 246.274 0.543 20 0 BCADHM C[C@H](CC(N)=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820235333 587037210 /nfs/dbraw/zinc/03/72/10/587037210.db2.gz RVBNSSDIWFAOMK-SSDOTTSWSA-N -1 3 246.274 0.543 20 0 BCADHM C[C@H](CCO)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000820249550 587038337 /nfs/dbraw/zinc/03/83/37/587038337.db2.gz WPUNEKYWFCKMLA-MRVPVSSYSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@H](CCO)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000820249550 587038339 /nfs/dbraw/zinc/03/83/39/587038339.db2.gz WPUNEKYWFCKMLA-MRVPVSSYSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@@H](CCO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820248130 587038439 /nfs/dbraw/zinc/03/84/39/587038439.db2.gz CRXKMRRNMCREAR-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](CCO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820248130 587038441 /nfs/dbraw/zinc/03/84/41/587038441.db2.gz CRXKMRRNMCREAR-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)CO ZINC000820280344 587040295 /nfs/dbraw/zinc/04/02/95/587040295.db2.gz DSFHKLLUIWEUGN-HTQZYQBOSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)CO ZINC000820280344 587040297 /nfs/dbraw/zinc/04/02/97/587040297.db2.gz DSFHKLLUIWEUGN-HTQZYQBOSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](CO)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820287593 587041182 /nfs/dbraw/zinc/04/11/82/587041182.db2.gz OESKTHNVBFTISD-LURJTMIESA-N -1 3 237.238 0.799 20 0 BCADHM C[C@@H](CO)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820287593 587041184 /nfs/dbraw/zinc/04/11/84/587041184.db2.gz OESKTHNVBFTISD-LURJTMIESA-N -1 3 237.238 0.799 20 0 BCADHM CC[C@@H]1CC[C@H](C)N1CC(=O)NCC(=O)[O-] ZINC000820290517 587041198 /nfs/dbraw/zinc/04/11/98/587041198.db2.gz KJMYFTFJCHNOTA-DTWKUNHWSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@H](CO)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000820286507 587041398 /nfs/dbraw/zinc/04/13/98/587041398.db2.gz BTDXAXQASJGEEC-ZCFIWIBFSA-N -1 3 237.288 0.735 20 0 BCADHM C[C@H](CO)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000820286507 587041400 /nfs/dbraw/zinc/04/14/00/587041400.db2.gz BTDXAXQASJGEEC-ZCFIWIBFSA-N -1 3 237.288 0.735 20 0 BCADHM COc1cc(C(=O)[N-]c2nc(C)n(C)n2)ncn1 ZINC000820303087 587042327 /nfs/dbraw/zinc/04/23/27/587042327.db2.gz KIAPVAFYLPAXSO-UHFFFAOYSA-N -1 3 248.246 0.174 20 0 BCADHM CCN(CC(=O)NCC(=O)[O-])C1CCCC1 ZINC000820332868 587044405 /nfs/dbraw/zinc/04/44/05/587044405.db2.gz MCIFVNCXPGFCPJ-UHFFFAOYSA-N -1 3 228.292 0.452 20 0 BCADHM C[C@H](O)CCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC000820473772 587050487 /nfs/dbraw/zinc/05/04/87/587050487.db2.gz LOBPKDKUHWENFF-QMMMGPOBSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@H](O)CCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC000820473772 587050488 /nfs/dbraw/zinc/05/04/88/587050488.db2.gz LOBPKDKUHWENFF-QMMMGPOBSA-N -1 3 248.290 0.469 20 0 BCADHM CC[C@H](C)[C@H](NCc1ncnn1C)C(=O)[O-] ZINC000820469010 587050679 /nfs/dbraw/zinc/05/06/79/587050679.db2.gz LKNXJXAUXAPKDG-CBAPKCEASA-N -1 3 226.280 0.404 20 0 BCADHM CCO[N-]C(=O)CCc1cc(OC)no1 ZINC000820517312 587052170 /nfs/dbraw/zinc/05/21/70/587052170.db2.gz DINVKZUPVMDGRF-UHFFFAOYSA-N -1 3 214.221 0.684 20 0 BCADHM CN(C)c1nccc(CNCCCC(=O)[O-])n1 ZINC000820554699 587054428 /nfs/dbraw/zinc/05/44/28/587054428.db2.gz ZGFGHBBRRXTGHO-UHFFFAOYSA-N -1 3 238.291 0.497 20 0 BCADHM CC1(CNc2ccc(-c3nnn[n-]3)nc2)COC1 ZINC000820623094 587059654 /nfs/dbraw/zinc/05/96/54/587059654.db2.gz DWFFVPRHLNMPFN-UHFFFAOYSA-N -1 3 246.274 0.710 20 0 BCADHM CC1(CNc2ccc(-c3nn[n-]n3)nc2)COC1 ZINC000820623094 587059656 /nfs/dbraw/zinc/05/96/56/587059656.db2.gz DWFFVPRHLNMPFN-UHFFFAOYSA-N -1 3 246.274 0.710 20 0 BCADHM COC(=O)[C@@H](C1CC1)N1CC[C@H](C(=O)[O-])C1 ZINC000820653187 587062790 /nfs/dbraw/zinc/06/27/90/587062790.db2.gz AKVDTCQTSPMVMA-DTWKUNHWSA-N -1 3 227.260 0.345 20 0 BCADHM C[C@@H]1C[C@H]1NCc1ccc(-c2nnn[n-]2)o1 ZINC000820678049 587065784 /nfs/dbraw/zinc/06/57/84/587065784.db2.gz SKSLUGDJXOLAOD-HTRCEHHLSA-N -1 3 219.248 0.958 20 0 BCADHM CC1([N-]S(=O)(=O)N=S(C)(C)=O)CCC1 ZINC000820794606 587072885 /nfs/dbraw/zinc/07/28/85/587072885.db2.gz FAEMBYOMQZCJBY-UHFFFAOYSA-N -1 3 240.350 0.491 20 0 BCADHM CC[C@@](C)(O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000820864126 587077828 /nfs/dbraw/zinc/07/78/28/587077828.db2.gz WUOJPPFGXREGSS-LLVKDONJSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000820864126 587077830 /nfs/dbraw/zinc/07/78/30/587077830.db2.gz WUOJPPFGXREGSS-LLVKDONJSA-N -1 3 248.290 0.835 20 0 BCADHM O=C([N-]OCC(F)(F)F)[C@H]1C[C@@H](O)C1 ZINC000821031372 587089551 /nfs/dbraw/zinc/08/95/51/587089551.db2.gz KBHWAGGWXXVFSP-SYDPRGILSA-N -1 3 213.155 0.367 20 0 BCADHM Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)CC(=O)[O-] ZINC000821181369 587100362 /nfs/dbraw/zinc/10/03/62/587100362.db2.gz DPIQLCIPLWFENV-IONNQARKSA-N -1 3 238.291 0.874 20 0 BCADHM CCNC(=O)Cn1cc(C)c(-c2nnn[n-]2)c1 ZINC000821286056 587105080 /nfs/dbraw/zinc/10/50/80/587105080.db2.gz OFTGYIGHHCFMCO-UHFFFAOYSA-N -1 3 234.263 0.113 20 0 BCADHM CCNC(=O)Cn1cc(C)c(-c2nn[n-]n2)c1 ZINC000821286056 587105081 /nfs/dbraw/zinc/10/50/81/587105081.db2.gz OFTGYIGHHCFMCO-UHFFFAOYSA-N -1 3 234.263 0.113 20 0 BCADHM CN(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821578348 587129949 /nfs/dbraw/zinc/12/99/49/587129949.db2.gz ZMPZMGPXXHLYFS-UHFFFAOYSA-N -1 3 231.259 0.497 20 0 BCADHM CN(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821578348 587129950 /nfs/dbraw/zinc/12/99/50/587129950.db2.gz ZMPZMGPXXHLYFS-UHFFFAOYSA-N -1 3 231.259 0.497 20 0 BCADHM CN(c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCOC1 ZINC000821619330 587132302 /nfs/dbraw/zinc/13/23/02/587132302.db2.gz RIHLRHHKPBEPDC-VIFPVBQESA-N -1 3 246.274 0.487 20 0 BCADHM CN(c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCOC1 ZINC000821619330 587132303 /nfs/dbraw/zinc/13/23/03/587132303.db2.gz RIHLRHHKPBEPDC-VIFPVBQESA-N -1 3 246.274 0.487 20 0 BCADHM CN(c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCOC1 ZINC000821619329 587132628 /nfs/dbraw/zinc/13/26/28/587132628.db2.gz RIHLRHHKPBEPDC-SECBINFHSA-N -1 3 246.274 0.487 20 0 BCADHM CN(c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCOC1 ZINC000821619329 587132629 /nfs/dbraw/zinc/13/26/29/587132629.db2.gz RIHLRHHKPBEPDC-SECBINFHSA-N -1 3 246.274 0.487 20 0 BCADHM CNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821636552 587133825 /nfs/dbraw/zinc/13/38/25/587133825.db2.gz UVWMQDGXQFLEDP-UHFFFAOYSA-N -1 3 238.638 0.275 20 0 BCADHM CNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821636552 587133826 /nfs/dbraw/zinc/13/38/26/587133826.db2.gz UVWMQDGXQFLEDP-UHFFFAOYSA-N -1 3 238.638 0.275 20 0 BCADHM CS[C@@H](C)C(=O)[N-]c1nnnn1C1CC1 ZINC000821667496 587134044 /nfs/dbraw/zinc/13/40/44/587134044.db2.gz NDYCSLHEQXPEJF-YFKPBYRVSA-N -1 3 227.293 0.698 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)[N-]c1nnnn1C1CC1 ZINC000821666268 587134312 /nfs/dbraw/zinc/13/43/12/587134312.db2.gz IJMNNCIFPGZPRG-FSPLSTOPSA-N -1 3 207.237 0.603 20 0 BCADHM O=C([N-]OC1CCCC1)C1=CCS(=O)(=O)C1 ZINC000821720268 587135891 /nfs/dbraw/zinc/13/58/91/587135891.db2.gz LHQQCAUIGGIUHJ-UHFFFAOYSA-N -1 3 245.300 0.332 20 0 BCADHM COc1ccc(-c2nnn[n-]2)cc1NCCO ZINC000821765955 587137683 /nfs/dbraw/zinc/13/76/83/587137683.db2.gz OBHNTZOEWRBQAK-UHFFFAOYSA-N -1 3 235.247 0.280 20 0 BCADHM COc1ccc(-c2nn[n-]n2)cc1NCCO ZINC000821765955 587137684 /nfs/dbraw/zinc/13/76/84/587137684.db2.gz OBHNTZOEWRBQAK-UHFFFAOYSA-N -1 3 235.247 0.280 20 0 BCADHM C[C@H](C(=O)[N-]OC1CCOCC1)N(C)C ZINC000822055423 587150781 /nfs/dbraw/zinc/15/07/81/587150781.db2.gz NXSRWXSDGZWUDB-MRVPVSSYSA-N -1 3 216.281 0.163 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)cc1OCCO ZINC000822221134 587158977 /nfs/dbraw/zinc/15/89/77/587158977.db2.gz BWYZKMOZCWKSRS-UHFFFAOYSA-N -1 3 220.232 0.546 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)cc1OCCO ZINC000822221134 587158979 /nfs/dbraw/zinc/15/89/79/587158979.db2.gz BWYZKMOZCWKSRS-UHFFFAOYSA-N -1 3 220.232 0.546 20 0 BCADHM Cc1noc(Cn2cc(C)c(-c3nnn[n-]3)c2)n1 ZINC000822527765 587173470 /nfs/dbraw/zinc/17/34/70/587173470.db2.gz CYYINSSXBQTPDB-UHFFFAOYSA-N -1 3 245.246 0.716 20 0 BCADHM Cc1noc(Cn2cc(C)c(-c3nn[n-]n3)c2)n1 ZINC000822527765 587173471 /nfs/dbraw/zinc/17/34/71/587173471.db2.gz CYYINSSXBQTPDB-UHFFFAOYSA-N -1 3 245.246 0.716 20 0 BCADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OC/C=C\Cl ZINC000823047157 587199646 /nfs/dbraw/zinc/19/96/46/587199646.db2.gz SPHQWUGHYNKXLZ-WQEPKDQRSA-N -1 3 247.678 0.986 20 0 BCADHM O=C(NC1CCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823144792 587205296 /nfs/dbraw/zinc/20/52/96/587205296.db2.gz LZUBAQIYRIQHHO-UHFFFAOYSA-N -1 3 232.247 0.477 20 0 BCADHM O=C(NC1CCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823144792 587205298 /nfs/dbraw/zinc/20/52/98/587205298.db2.gz LZUBAQIYRIQHHO-UHFFFAOYSA-N -1 3 232.247 0.477 20 0 BCADHM O=C([N-]OCC1CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000823145812 587205531 /nfs/dbraw/zinc/20/55/31/587205531.db2.gz RIJJMQCDYZPLOK-RKDXNWHRSA-N -1 3 221.260 0.971 20 0 BCADHM O=C(NCC1CCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823176175 587206707 /nfs/dbraw/zinc/20/67/07/587206707.db2.gz QVPROUBKCUOZPU-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM O=C(NCC1CCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823176175 587206708 /nfs/dbraw/zinc/20/67/08/587206708.db2.gz QVPROUBKCUOZPU-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM CCc1n[n-]c(Cl)c1C(=O)OCCO ZINC000860222716 589090559 /nfs/dbraw/zinc/09/05/59/589090559.db2.gz CIXSHGZDSFLUPC-UHFFFAOYSA-N -1 3 218.640 0.775 20 0 BCADHM CCc1[n-]nc(Cl)c1C(=O)OCCO ZINC000860222716 589090560 /nfs/dbraw/zinc/09/05/60/589090560.db2.gz CIXSHGZDSFLUPC-UHFFFAOYSA-N -1 3 218.640 0.775 20 0 BCADHM CC[C@](C)(O)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000823304895 587215388 /nfs/dbraw/zinc/21/53/88/587215388.db2.gz AWARTQURXWSMOR-MUWHJKNJSA-N -1 3 216.306 0.755 20 0 BCADHM CC(=O)NC[C@@H]1CCCN(CCNC(=O)[O-])C1 ZINC000823575396 587231710 /nfs/dbraw/zinc/23/17/10/587231710.db2.gz QOTCBEWFPBWVPA-JTQLQIEISA-N -1 3 243.307 0.102 20 0 BCADHM CC(=O)NC[C@H]1CCCN(CCNC(=O)[O-])C1 ZINC000823575397 587231760 /nfs/dbraw/zinc/23/17/60/587231760.db2.gz QOTCBEWFPBWVPA-SNVBAGLBSA-N -1 3 243.307 0.102 20 0 BCADHM CC(C)(C)CN(CCO)CCNC(=O)[O-] ZINC000823766534 587239794 /nfs/dbraw/zinc/23/97/94/587239794.db2.gz QBNQOCUMYRSOGE-UHFFFAOYSA-N -1 3 218.297 0.594 20 0 BCADHM CCC[C@H](O)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000823811438 587240894 /nfs/dbraw/zinc/24/08/94/587240894.db2.gz PNMCLFVUYWEKKP-QMMMGPOBSA-N -1 3 239.275 0.268 20 0 BCADHM COCc1nc(C(=O)[N-]c2cnsn2)co1 ZINC000823857556 587243787 /nfs/dbraw/zinc/24/37/87/587243787.db2.gz DQRLWFDBJWFFHC-UHFFFAOYSA-N -1 3 240.244 0.925 20 0 BCADHM CC(C)(CNCc1cn[nH]c1)NC(=O)[O-] ZINC000824011141 587247941 /nfs/dbraw/zinc/24/79/41/587247941.db2.gz FMPJEKQHSPLOQJ-UHFFFAOYSA-N -1 3 212.253 0.546 20 0 BCADHM CC(C)C(=O)NCCN[C@@H]1CCN(C(=O)[O-])C1 ZINC000824044206 587251135 /nfs/dbraw/zinc/25/11/35/587251135.db2.gz QGZLZBFFDZITIW-SECBINFHSA-N -1 3 243.307 0.101 20 0 BCADHM CC(C)(C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824093639 587254689 /nfs/dbraw/zinc/25/46/89/587254689.db2.gz IRPXGQYHWBQULL-UHFFFAOYSA-N -1 3 234.263 0.723 20 0 BCADHM CC(C)(C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824093639 587254690 /nfs/dbraw/zinc/25/46/90/587254690.db2.gz IRPXGQYHWBQULL-UHFFFAOYSA-N -1 3 234.263 0.723 20 0 BCADHM COCCCON=C([O-])Nc1c(C)cnn1C ZINC000824409490 587269772 /nfs/dbraw/zinc/26/97/72/587269772.db2.gz DXRGNSPMAJZKPG-UHFFFAOYSA-N -1 3 242.279 0.818 20 0 BCADHM COCCCO[N-]C(=O)Nc1c(C)cnn1C ZINC000824409490 587269774 /nfs/dbraw/zinc/26/97/74/587269774.db2.gz DXRGNSPMAJZKPG-UHFFFAOYSA-N -1 3 242.279 0.818 20 0 BCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC000824514143 587272555 /nfs/dbraw/zinc/27/25/55/587272555.db2.gz LSFOFQUFBLZHSX-ZCFIWIBFSA-N -1 3 246.274 0.723 20 0 BCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC000824514143 587272557 /nfs/dbraw/zinc/27/25/57/587272557.db2.gz LSFOFQUFBLZHSX-ZCFIWIBFSA-N -1 3 246.274 0.723 20 0 BCADHM C[C@@H](CC(=O)N[C@H]1CCCN(C)C1)NC(=O)[O-] ZINC000824622621 587279818 /nfs/dbraw/zinc/27/98/18/587279818.db2.gz OJQRNGXXAQZMMU-IUCAKERBSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@@H](CC(=O)NCCN(C)C1CC1)NC(=O)[O-] ZINC000824645698 587280899 /nfs/dbraw/zinc/28/08/99/587280899.db2.gz ASETXPSXPZVKPX-QMMMGPOBSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@@H](O)C(C)(C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824680247 587282526 /nfs/dbraw/zinc/28/25/26/587282526.db2.gz ZULCZLBGPNRLGQ-SSDOTTSWSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)C(C)(C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824680247 587282528 /nfs/dbraw/zinc/28/25/28/587282528.db2.gz ZULCZLBGPNRLGQ-SSDOTTSWSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](O)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824698073 587283270 /nfs/dbraw/zinc/28/32/70/587283270.db2.gz ILXQJEZAGNRRDB-YUMQZZPRSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](O)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824698073 587283271 /nfs/dbraw/zinc/28/32/71/587283271.db2.gz ILXQJEZAGNRRDB-YUMQZZPRSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](O)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC000824699015 587283649 /nfs/dbraw/zinc/28/36/49/587283649.db2.gz PEOHBAVDRQFFGL-YUMQZZPRSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](O)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC000824699015 587283650 /nfs/dbraw/zinc/28/36/50/587283650.db2.gz PEOHBAVDRQFFGL-YUMQZZPRSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)CN(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824698300 587283696 /nfs/dbraw/zinc/28/36/96/587283696.db2.gz KFBIQGLGSCZOBJ-MRVPVSSYSA-N -1 3 248.290 0.074 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2CC(C)=NO2)[n-]1 ZINC000824782172 587287395 /nfs/dbraw/zinc/28/73/95/587287395.db2.gz GFEMUOJPSVNFFE-RXMQYKEDSA-N -1 3 241.276 0.630 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2CC(C)=NO2)n1 ZINC000824782172 587287396 /nfs/dbraw/zinc/28/73/96/587287396.db2.gz GFEMUOJPSVNFFE-RXMQYKEDSA-N -1 3 241.276 0.630 20 0 BCADHM CSc1nc(NC(=O)[C@H]2CC(C)=NO2)n[n-]1 ZINC000824782172 587287397 /nfs/dbraw/zinc/28/73/97/587287397.db2.gz GFEMUOJPSVNFFE-RXMQYKEDSA-N -1 3 241.276 0.630 20 0 BCADHM CC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC000824832772 587289167 /nfs/dbraw/zinc/28/91/67/587289167.db2.gz WBLSQHSEOCCPOJ-UHFFFAOYSA-N -1 3 246.274 0.867 20 0 BCADHM CC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC000824832772 587289168 /nfs/dbraw/zinc/28/91/68/587289168.db2.gz WBLSQHSEOCCPOJ-UHFFFAOYSA-N -1 3 246.274 0.867 20 0 BCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC000824945218 587293953 /nfs/dbraw/zinc/29/39/53/587293953.db2.gz ALFVFFLXRSNXDU-SSDOTTSWSA-N -1 3 246.274 0.677 20 0 BCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC000824945218 587293955 /nfs/dbraw/zinc/29/39/55/587293955.db2.gz ALFVFFLXRSNXDU-SSDOTTSWSA-N -1 3 246.274 0.677 20 0 BCADHM C[C@@H](CNC(=O)[O-])N(C)CC[C@H]1CCOC1=O ZINC000824967380 587295897 /nfs/dbraw/zinc/29/58/97/587295897.db2.gz ROCPXVPRYQMTCR-IUCAKERBSA-N -1 3 244.291 0.528 20 0 BCADHM COC/C=C\C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825029320 587299663 /nfs/dbraw/zinc/29/96/63/587299663.db2.gz ZLPVQSZGJHVJOF-ARJAWSKDSA-N -1 3 249.270 0.535 20 0 BCADHM CCO/C=C/C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825041316 587299804 /nfs/dbraw/zinc/29/98/04/587299804.db2.gz YCUOIPJDRPGSLP-SNAWJCMRSA-N -1 3 249.270 0.883 20 0 BCADHM CC[C@@H](CO)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825119478 587305424 /nfs/dbraw/zinc/30/54/24/587305424.db2.gz CRJKFGJSCKMWAD-QMMMGPOBSA-N -1 3 248.290 0.753 20 0 BCADHM CC[C@@H](CO)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825119478 587305426 /nfs/dbraw/zinc/30/54/26/587305426.db2.gz CRJKFGJSCKMWAD-QMMMGPOBSA-N -1 3 248.290 0.753 20 0 BCADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CCO ZINC000825195257 587309297 /nfs/dbraw/zinc/30/92/97/587309297.db2.gz SVRKWYHHNVFRSK-BDAKNGLRSA-N -1 3 216.281 0.489 20 0 BCADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CCO)C1 ZINC000825264843 587311876 /nfs/dbraw/zinc/31/18/76/587311876.db2.gz OHXMAKSJXAJYKG-DTWKUNHWSA-N -1 3 216.281 0.347 20 0 BCADHM CCCCNC(=O)Cn1ccc(-c2nnn[n-]2)c1 ZINC000825285016 587312710 /nfs/dbraw/zinc/31/27/10/587312710.db2.gz GJFFHVABWUQYOT-UHFFFAOYSA-N -1 3 248.290 0.585 20 0 BCADHM CCCCNC(=O)Cn1ccc(-c2nn[n-]n2)c1 ZINC000825285016 587312711 /nfs/dbraw/zinc/31/27/11/587312711.db2.gz GJFFHVABWUQYOT-UHFFFAOYSA-N -1 3 248.290 0.585 20 0 BCADHM C[C@@H](NCCNC(=O)[O-])c1cnn(C)c1 ZINC000825495084 587321492 /nfs/dbraw/zinc/32/14/92/587321492.db2.gz AFMNOWQJOPKAMW-SSDOTTSWSA-N -1 3 212.253 0.338 20 0 BCADHM CCOC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825560618 587325318 /nfs/dbraw/zinc/32/53/18/587325318.db2.gz UKFLPKCCHMSYEC-UHFFFAOYSA-N -1 3 207.193 0.372 20 0 BCADHM CCOC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825560618 587325319 /nfs/dbraw/zinc/32/53/19/587325319.db2.gz UKFLPKCCHMSYEC-UHFFFAOYSA-N -1 3 207.193 0.372 20 0 BCADHM C/C(=C\CN1CCC[C@@H]1C(=O)N(C)C)C(=O)[O-] ZINC000825742103 587335590 /nfs/dbraw/zinc/33/55/90/587335590.db2.gz VZCMGGQSXBRIKV-OLKPEBQYSA-N -1 3 240.303 0.570 20 0 BCADHM C/C(=C\CN1CCO[C@@H](CN(C)C)C1)C(=O)[O-] ZINC000825747788 587336686 /nfs/dbraw/zinc/33/66/86/587336686.db2.gz YTWZLXQGIGMWLR-INJWIWPUSA-N -1 3 242.319 0.280 20 0 BCADHM CCc1noc(Cn2ccc(-c3nnn[n-]3)c2)n1 ZINC000825777557 587339007 /nfs/dbraw/zinc/33/90/07/587339007.db2.gz YADYXJHZXHZDMX-UHFFFAOYSA-N -1 3 245.246 0.662 20 0 BCADHM CCc1noc(Cn2ccc(-c3nn[n-]n3)c2)n1 ZINC000825777557 587339008 /nfs/dbraw/zinc/33/90/08/587339008.db2.gz YADYXJHZXHZDMX-UHFFFAOYSA-N -1 3 245.246 0.662 20 0 BCADHM CN(C)C1CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000825856610 587341660 /nfs/dbraw/zinc/34/16/60/587341660.db2.gz YKWQCHYAZSMPTO-UHFFFAOYSA-N -1 3 245.290 0.012 20 0 BCADHM CN(C)C1CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000825856610 587341662 /nfs/dbraw/zinc/34/16/62/587341662.db2.gz YKWQCHYAZSMPTO-UHFFFAOYSA-N -1 3 245.290 0.012 20 0 BCADHM C[C@@H]1C[C@@H](NC2CN(C(=O)[O-])C2)CN1C1CC1 ZINC000825852992 587341942 /nfs/dbraw/zinc/34/19/42/587341942.db2.gz SAQNHKAGMFEPSY-RKDXNWHRSA-N -1 3 239.319 0.563 20 0 BCADHM C[C@@H]1CCCN(CCO)[C@H]1CNC(=O)[O-] ZINC000825925464 587345381 /nfs/dbraw/zinc/34/53/81/587345381.db2.gz PWXGXHIBWIIPNF-BDAKNGLRSA-N -1 3 216.281 0.347 20 0 BCADHM C[C@@H](NC(=O)[O-])C(=O)NCCN1CC[C@H](C)C1 ZINC000825951205 587347005 /nfs/dbraw/zinc/34/70/05/587347005.db2.gz TYIUBSYNWSWMNO-DTWKUNHWSA-N -1 3 243.307 0.101 20 0 BCADHM CN(Cc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCOC1 ZINC000825962158 587347082 /nfs/dbraw/zinc/34/70/82/587347082.db2.gz SWRIUGAMLNZHPX-MRVPVSSYSA-N -1 3 249.274 0.680 20 0 BCADHM CN(Cc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCOC1 ZINC000825962158 587347083 /nfs/dbraw/zinc/34/70/83/587347083.db2.gz SWRIUGAMLNZHPX-MRVPVSSYSA-N -1 3 249.274 0.680 20 0 BCADHM C[C@H]1CN(CC2(O)CCC2)C[C@H](C)N1C(=O)[O-] ZINC000826048763 587349463 /nfs/dbraw/zinc/34/94/63/587349463.db2.gz JENRNFRUDVIJOP-UWVGGRQHSA-N -1 3 242.319 0.974 20 0 BCADHM C[C@H]1CN(CCCCCO)CCN1C(=O)[O-] ZINC000826056174 587349913 /nfs/dbraw/zinc/34/99/13/587349913.db2.gz BPIZPRGRTCADDV-JTQLQIEISA-N -1 3 230.308 0.833 20 0 BCADHM CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826067150 587350085 /nfs/dbraw/zinc/35/00/85/587350085.db2.gz CUNSMMZDCYGNMO-UHFFFAOYSA-N -1 3 237.650 0.880 20 0 BCADHM CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826067150 587350086 /nfs/dbraw/zinc/35/00/86/587350086.db2.gz CUNSMMZDCYGNMO-UHFFFAOYSA-N -1 3 237.650 0.880 20 0 BCADHM COC1(C)CN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826143830 587351363 /nfs/dbraw/zinc/35/13/63/587351363.db2.gz RIUMLYBJTIMVGO-UHFFFAOYSA-N -1 3 246.274 0.487 20 0 BCADHM COC1(C)CN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826143830 587351364 /nfs/dbraw/zinc/35/13/64/587351364.db2.gz RIUMLYBJTIMVGO-UHFFFAOYSA-N -1 3 246.274 0.487 20 0 BCADHM CON(C)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826166441 587351807 /nfs/dbraw/zinc/35/18/07/587351807.db2.gz KMGOBZJKWIPTOY-SNVBAGLBSA-N -1 3 249.274 0.393 20 0 BCADHM CON(C)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826166441 587351808 /nfs/dbraw/zinc/35/18/08/587351808.db2.gz KMGOBZJKWIPTOY-SNVBAGLBSA-N -1 3 249.274 0.393 20 0 BCADHM Cc1ccnc(N(C)C[C@H](C)O)c1-c1nnn[n-]1 ZINC000826309617 587352123 /nfs/dbraw/zinc/35/21/23/587352123.db2.gz VSLOMGTYMSLYRO-QMMMGPOBSA-N -1 3 248.290 0.387 20 0 BCADHM Cc1ccnc(N(C)C[C@H](C)O)c1-c1nn[n-]n1 ZINC000826309617 587352124 /nfs/dbraw/zinc/35/21/24/587352124.db2.gz VSLOMGTYMSLYRO-QMMMGPOBSA-N -1 3 248.290 0.387 20 0 BCADHM Cc1ccnc(Cn2ccc(-c3nnn[n-]3)c2)n1 ZINC000826309666 587352179 /nfs/dbraw/zinc/35/21/79/587352179.db2.gz XHSMQEVYDQZSCJ-UHFFFAOYSA-N -1 3 241.258 0.815 20 0 BCADHM Cc1ccnc(Cn2ccc(-c3nn[n-]n3)c2)n1 ZINC000826309666 587352180 /nfs/dbraw/zinc/35/21/80/587352180.db2.gz XHSMQEVYDQZSCJ-UHFFFAOYSA-N -1 3 241.258 0.815 20 0 BCADHM Cc1noc(Cn2ccc(-c3nnn[n-]3)c2)n1 ZINC000826340335 587352379 /nfs/dbraw/zinc/35/23/79/587352379.db2.gz TWCSIHOFSIALDK-UHFFFAOYSA-N -1 3 231.219 0.408 20 0 BCADHM Cc1noc(Cn2ccc(-c3nn[n-]n3)c2)n1 ZINC000826340335 587352380 /nfs/dbraw/zinc/35/23/80/587352380.db2.gz TWCSIHOFSIALDK-UHFFFAOYSA-N -1 3 231.219 0.408 20 0 BCADHM FC1CN(c2ncccc2-c2nnn[n-]2)C1 ZINC000826370303 587352586 /nfs/dbraw/zinc/35/25/86/587352586.db2.gz MSORVIUHPWURJT-UHFFFAOYSA-N -1 3 220.211 0.420 20 0 BCADHM FC1CN(c2ncccc2-c2nn[n-]n2)C1 ZINC000826370303 587352587 /nfs/dbraw/zinc/35/25/87/587352587.db2.gz MSORVIUHPWURJT-UHFFFAOYSA-N -1 3 220.211 0.420 20 0 BCADHM OC1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826507842 587352770 /nfs/dbraw/zinc/35/27/70/587352770.db2.gz XDAXQMSWOXBLDI-UHFFFAOYSA-N -1 3 249.274 0.416 20 0 BCADHM OC1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826507842 587352771 /nfs/dbraw/zinc/35/27/71/587352771.db2.gz XDAXQMSWOXBLDI-UHFFFAOYSA-N -1 3 249.274 0.416 20 0 BCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCCC1 ZINC000826469952 587353247 /nfs/dbraw/zinc/35/32/47/587353247.db2.gz WYHWFZUMZHOUIV-UHFFFAOYSA-N -1 3 246.274 0.821 20 0 BCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCCC1 ZINC000826469952 587353248 /nfs/dbraw/zinc/35/32/48/587353248.db2.gz WYHWFZUMZHOUIV-UHFFFAOYSA-N -1 3 246.274 0.821 20 0 BCADHM O[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826507765 587353294 /nfs/dbraw/zinc/35/32/94/587353294.db2.gz WDXOKIFHOPFVOG-MRVPVSSYSA-N -1 3 249.274 0.416 20 0 BCADHM O[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826507765 587353295 /nfs/dbraw/zinc/35/32/95/587353295.db2.gz WDXOKIFHOPFVOG-MRVPVSSYSA-N -1 3 249.274 0.416 20 0 BCADHM c1cn(Cc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000826524667 587353798 /nfs/dbraw/zinc/35/37/98/587353798.db2.gz DSQXWHMMWWNNKE-UHFFFAOYSA-N -1 3 227.231 0.507 20 0 BCADHM c1cn(Cc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000826524667 587353799 /nfs/dbraw/zinc/35/37/99/587353799.db2.gz DSQXWHMMWWNNKE-UHFFFAOYSA-N -1 3 227.231 0.507 20 0 BCADHM c1cnc(N[C@@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC000826525735 587354209 /nfs/dbraw/zinc/35/42/09/587354209.db2.gz XCQXXQPUXXXBNC-SSDOTTSWSA-N -1 3 232.247 0.463 20 0 BCADHM c1cnc(N[C@@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC000826525735 587354210 /nfs/dbraw/zinc/35/42/10/587354210.db2.gz XCQXXQPUXXXBNC-SSDOTTSWSA-N -1 3 232.247 0.463 20 0 BCADHM CC(C)(CC(=O)[O-])NCC(=O)Nc1ccon1 ZINC000826538338 587354401 /nfs/dbraw/zinc/35/44/01/587354401.db2.gz QOWXOXNUYXZBHF-UHFFFAOYSA-N -1 3 241.247 0.456 20 0 BCADHM CC[C@@H](O)CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826625253 587357087 /nfs/dbraw/zinc/35/70/87/587357087.db2.gz CIBULSVYQHTGEM-RKDXNWHRSA-N -1 3 216.281 0.441 20 0 BCADHM CC(C)(O)CCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000826636782 587357261 /nfs/dbraw/zinc/35/72/61/587357261.db2.gz KTGQADAKOUUHFX-JTQLQIEISA-N -1 3 219.256 0.646 20 0 BCADHM CC(C)[C@@H]1CCN(CC(=O)NCCC(=O)[O-])C1 ZINC000826736027 587360773 /nfs/dbraw/zinc/36/07/73/587360773.db2.gz MNZCBLKFUDIGMC-SNVBAGLBSA-N -1 3 242.319 0.555 20 0 BCADHM CCCCN(CCO)CCNC(=O)[O-] ZINC000826829634 587363714 /nfs/dbraw/zinc/36/37/14/587363714.db2.gz DYPPKOJLCQOPKX-UHFFFAOYSA-N -1 3 204.270 0.348 20 0 BCADHM O=C(COC(F)(F)F)[N-]N1CCOC1=O ZINC000827123052 587370396 /nfs/dbraw/zinc/37/03/96/587370396.db2.gz SRKOKVAYVWUMNL-UHFFFAOYSA-N -1 3 228.126 0.006 20 0 BCADHM CCN(CCNC(=O)[O-])[C@@H](C)COC ZINC000827146524 587370952 /nfs/dbraw/zinc/37/09/52/587370952.db2.gz QKMDGPPJPQTNNS-QMMMGPOBSA-N -1 3 204.270 0.611 20 0 BCADHM CCN(CCNCC1=CCCOC1)C(=O)[O-] ZINC000827150628 587371396 /nfs/dbraw/zinc/37/13/96/587371396.db2.gz KVLRTIIHZYMTOW-UHFFFAOYSA-N -1 3 228.292 0.923 20 0 BCADHM CCNC(=O)CNCC1CCN(C(=O)[O-])CC1 ZINC000827242547 587373610 /nfs/dbraw/zinc/37/36/10/587373610.db2.gz RIDQSSYAHPYWGN-UHFFFAOYSA-N -1 3 243.307 0.102 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)NC[C@@H](C)N1CCCC1 ZINC000827282066 587375131 /nfs/dbraw/zinc/37/51/31/587375131.db2.gz QENRVAJBPSEIGL-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM CCOC[C@H]1CCN(CCNC(=O)[O-])C1 ZINC000827393966 587379698 /nfs/dbraw/zinc/37/96/98/587379698.db2.gz JKHCZRRKRWXNLC-VIFPVBQESA-N -1 3 216.281 0.612 20 0 BCADHM C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)C(=O)[O-] ZINC000827432206 587380934 /nfs/dbraw/zinc/38/09/34/587380934.db2.gz IIRKPAMMVXYBOE-SECBINFHSA-N -1 3 242.319 0.650 20 0 BCADHM CN(C(=O)[O-])[C@H]1CCCN(CC2(O)CCC2)C1 ZINC000827821904 587404263 /nfs/dbraw/zinc/40/42/63/587404263.db2.gz FEYAANSPVPMUFA-JTQLQIEISA-N -1 3 242.319 0.976 20 0 BCADHM C[C@@H]1COCCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000860400194 589098297 /nfs/dbraw/zinc/09/82/97/589098297.db2.gz YCINRZSOUMPBMO-QMMMGPOBSA-N -1 3 237.259 0.291 20 0 BCADHM CN(C(=O)[O-])[C@@H]1CCN(CC(C)(C)O)C1 ZINC000827882412 587407782 /nfs/dbraw/zinc/40/77/82/587407782.db2.gz OBMGIPDGDVABKV-MRVPVSSYSA-N -1 3 216.281 0.441 20 0 BCADHM CN(C)CCN(C)C(=O)C(C)(C)NC(=O)[O-] ZINC000828023590 587416967 /nfs/dbraw/zinc/41/69/67/587416967.db2.gz DDDJPBMELPOPEK-UHFFFAOYSA-N -1 3 231.296 0.053 20 0 BCADHM CN(CCC(C)(C)O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828274572 587430310 /nfs/dbraw/zinc/43/03/10/587430310.db2.gz YSMZEPCPKRYEJE-SECBINFHSA-N -1 3 230.308 0.832 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1CC[C@@H](C)[C@H]1C ZINC000828284755 587431471 /nfs/dbraw/zinc/43/14/71/587431471.db2.gz HXMMYOLDBYLUSI-IWSPIJDZSA-N -1 3 228.292 0.306 20 0 BCADHM CN(CCNCc1cncs1)C(=O)[O-] ZINC000828332824 587436095 /nfs/dbraw/zinc/43/60/95/587436095.db2.gz WTTANPYEVOBTIO-UHFFFAOYSA-N -1 3 215.278 0.843 20 0 BCADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OCC(N)=O ZINC000828414879 587441072 /nfs/dbraw/zinc/44/10/72/587441072.db2.gz AWYCVNKAJBTYOX-XVKPBYJWSA-N -1 3 214.265 0.346 20 0 BCADHM C[C@@H]1CN(CN2CCCC2=O)C[C@@H]1C(=O)[O-] ZINC000828456445 587443452 /nfs/dbraw/zinc/44/34/52/587443452.db2.gz LOUOAETXOYQANA-BDAKNGLRSA-N -1 3 226.276 0.219 20 0 BCADHM CNC(=O)CCN1CCN(C(=O)[O-])CC1(C)C ZINC000828537994 587449382 /nfs/dbraw/zinc/44/93/82/587449382.db2.gz NCXQCIMKBIYISV-UHFFFAOYSA-N -1 3 243.307 0.197 20 0 BCADHM CNC(=O)CC1CCN(CCNC(=O)[O-])CC1 ZINC000828538262 587449459 /nfs/dbraw/zinc/44/94/59/587449459.db2.gz TWBSOZUCCPZAKV-UHFFFAOYSA-N -1 3 243.307 0.102 20 0 BCADHM CC[C@H](C(=O)N1CCC[C@H]1CC(=O)[O-])N(C)C ZINC000828587162 587451536 /nfs/dbraw/zinc/45/15/36/587451536.db2.gz OAPLNOKFQFLQRT-VHSXEESVSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@H](C(=O)N(C)C[C@H](C)C(=O)[O-])N(C)C ZINC000828587661 587452459 /nfs/dbraw/zinc/45/24/59/587452459.db2.gz WAMRIISPMIDBDX-DTWKUNHWSA-N -1 3 230.308 0.506 20 0 BCADHM CC[C@@H](C(=O)NC[C@H](C)C(=O)[O-])N(C)C ZINC000828587562 587452361 /nfs/dbraw/zinc/45/23/61/587452361.db2.gz UHKQTWYCECXOSM-YUMQZZPRSA-N -1 3 216.281 0.164 20 0 BCADHM CC[C@@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])N(C)C ZINC000828587660 587452391 /nfs/dbraw/zinc/45/23/91/587452391.db2.gz WAMRIISPMIDBDX-BDAKNGLRSA-N -1 3 230.308 0.506 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCN(CCCCO)CC1 ZINC000828603534 587452679 /nfs/dbraw/zinc/45/26/79/587452679.db2.gz LGLCQUFKBVQACL-LLVKDONJSA-N -1 3 244.335 0.240 20 0 BCADHM COC(=O)CCN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000828674370 587456419 /nfs/dbraw/zinc/45/64/19/587456419.db2.gz BXEYKWBDOPUBCO-SECBINFHSA-N -1 3 244.291 0.624 20 0 BCADHM CCC(CC)(CC(=O)[O-])NCc1nncn1C ZINC000828804485 587463035 /nfs/dbraw/zinc/46/30/35/587463035.db2.gz OZGCBEFAVWCMHG-UHFFFAOYSA-N -1 3 240.307 0.938 20 0 BCADHM O=C(Nc1ccn(CCF)n1)c1nnc[n-]1 ZINC000828862411 587467378 /nfs/dbraw/zinc/46/73/78/587467378.db2.gz OMYFFWBBUTUDOW-UHFFFAOYSA-N -1 3 224.199 0.223 20 0 BCADHM O=C(Nc1ccn(CCF)n1)c1nc[n-]n1 ZINC000828862411 587467379 /nfs/dbraw/zinc/46/73/79/587467379.db2.gz OMYFFWBBUTUDOW-UHFFFAOYSA-N -1 3 224.199 0.223 20 0 BCADHM COC[C@H](O)CN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000828920239 587472049 /nfs/dbraw/zinc/47/20/49/587472049.db2.gz HGAISIMWGIWEIJ-NXEZZACHSA-N -1 3 246.307 0.068 20 0 BCADHM COCCN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000828964497 587475790 /nfs/dbraw/zinc/47/57/90/587475790.db2.gz XEDXYBVQOAXLPV-QMMMGPOBSA-N -1 3 202.254 0.317 20 0 BCADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)OCC1=CCCC1 ZINC000828978058 587477122 /nfs/dbraw/zinc/47/71/22/587477122.db2.gz PXCYIMAANJJPDS-QMMMGPOBSA-N -1 3 238.243 0.238 20 0 BCADHM C[C@@H]([N-]C(=O)C(F)F)c1ccnn1C ZINC000828981893 587477218 /nfs/dbraw/zinc/47/72/18/587477218.db2.gz MCJUJTRBGZXOBO-RXMQYKEDSA-N -1 3 203.192 0.862 20 0 BCADHM CC[C@@H]1C[C@@H](C)CN1CC(=O)NCCC(=O)[O-] ZINC000829076041 587481881 /nfs/dbraw/zinc/48/18/81/587481881.db2.gz ZQGZPRNRVBXKHM-NXEZZACHSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@@H]1C[C@H](C)CN1CC(=O)NCCC(=O)[O-] ZINC000829076045 587482091 /nfs/dbraw/zinc/48/20/91/587482091.db2.gz ZQGZPRNRVBXKHM-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM CC(=O)[C@@H](OC(=O)c1n[n-]nc1C)C(C)C ZINC000829082139 587482617 /nfs/dbraw/zinc/48/26/17/587482617.db2.gz ZPCAAEJGQAIROC-VIFPVBQESA-N -1 3 225.248 0.884 20 0 BCADHM CC(=O)[C@H](OC(=O)c1n[n-]nc1C)C(C)C ZINC000829082137 587482680 /nfs/dbraw/zinc/48/26/80/587482680.db2.gz ZPCAAEJGQAIROC-SECBINFHSA-N -1 3 225.248 0.884 20 0 BCADHM CCCN(C)CC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000829459192 587499009 /nfs/dbraw/zinc/49/90/09/587499009.db2.gz VBQMCLNEODDRCY-NXEZZACHSA-N -1 3 242.319 0.507 20 0 BCADHM CCCN(C)CC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000829459414 587499029 /nfs/dbraw/zinc/49/90/29/587499029.db2.gz WOOBXIKRXOIZIY-LBPRGKRZSA-N -1 3 242.319 0.651 20 0 BCADHM CCN(CC)CC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000829671618 587508755 /nfs/dbraw/zinc/50/87/55/587508755.db2.gz HPQANDJXJBCLPJ-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM CCN(CC)CC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000829671619 587508879 /nfs/dbraw/zinc/50/88/79/587508879.db2.gz HPQANDJXJBCLPJ-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM COCCO[N-]C(=O)CCc1cc(OC)no1 ZINC000829683397 587509391 /nfs/dbraw/zinc/50/93/91/587509391.db2.gz YYRZBGCWIYESPB-UHFFFAOYSA-N -1 3 244.247 0.310 20 0 BCADHM CCc1ccc(C(=O)N2CC=C(N)N2)c([O-])c1 ZINC000829845809 587523347 /nfs/dbraw/zinc/52/33/47/587523347.db2.gz YDUSJASAJYHQEB-UHFFFAOYSA-N -1 3 233.271 0.715 20 0 BCADHM CCOc1nc(NC(=O)[C@H](C)OCC)n[n-]1 ZINC000830397090 587549113 /nfs/dbraw/zinc/54/91/13/587549113.db2.gz JEOYRSHOPUAKOO-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nnc(NC(=O)[C@H](C)OCC)[n-]1 ZINC000830397090 587549115 /nfs/dbraw/zinc/54/91/15/587549115.db2.gz JEOYRSHOPUAKOO-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H](C)OCC)n1 ZINC000830397090 587549117 /nfs/dbraw/zinc/54/91/17/587549117.db2.gz JEOYRSHOPUAKOO-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CCCN2C)[n-]1 ZINC000830397328 587549456 /nfs/dbraw/zinc/54/94/56/587549456.db2.gz SELZZZOAMASBEB-SSDOTTSWSA-N -1 3 239.279 0.236 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CCCN2C)n[n-]1 ZINC000830397328 587549457 /nfs/dbraw/zinc/54/94/57/587549457.db2.gz SELZZZOAMASBEB-SSDOTTSWSA-N -1 3 239.279 0.236 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CCCN2C)n1 ZINC000830397328 587549458 /nfs/dbraw/zinc/54/94/58/587549458.db2.gz SELZZZOAMASBEB-SSDOTTSWSA-N -1 3 239.279 0.236 20 0 BCADHM CCOc1nc(NC(=O)[C@@H](CC)OCC)n[n-]1 ZINC000830396957 587549630 /nfs/dbraw/zinc/54/96/30/587549630.db2.gz ASKRSMZCQLDXFO-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H](CC)OCC)[n-]1 ZINC000830396957 587549631 /nfs/dbraw/zinc/54/96/31/587549631.db2.gz ASKRSMZCQLDXFO-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H](CC)OCC)n1 ZINC000830396957 587549633 /nfs/dbraw/zinc/54/96/33/587549633.db2.gz ASKRSMZCQLDXFO-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CC2(F)F)n[n-]1 ZINC000830403642 587550245 /nfs/dbraw/zinc/55/02/45/587550245.db2.gz JDAHEUNSPRIRDT-SCSAIBSYSA-N -1 3 232.190 0.797 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CC2(F)F)[n-]1 ZINC000830403642 587550247 /nfs/dbraw/zinc/55/02/47/587550247.db2.gz JDAHEUNSPRIRDT-SCSAIBSYSA-N -1 3 232.190 0.797 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CC2(F)F)n1 ZINC000830403642 587550249 /nfs/dbraw/zinc/55/02/49/587550249.db2.gz JDAHEUNSPRIRDT-SCSAIBSYSA-N -1 3 232.190 0.797 20 0 BCADHM CCOc1nnc(NC(=O)C=CCOC)[n-]1 ZINC000830403093 587550382 /nfs/dbraw/zinc/55/03/82/587550382.db2.gz ATBVMUIKIUFUIA-PLNGDYQASA-N -1 3 226.236 0.345 20 0 BCADHM CCOc1nc(NC(=O)C=CCOC)n[n-]1 ZINC000830403093 587550383 /nfs/dbraw/zinc/55/03/83/587550383.db2.gz ATBVMUIKIUFUIA-PLNGDYQASA-N -1 3 226.236 0.345 20 0 BCADHM CCOc1n[n-]c(NC(=O)/C=C\COC)n1 ZINC000830403093 587550384 /nfs/dbraw/zinc/55/03/84/587550384.db2.gz ATBVMUIKIUFUIA-PLNGDYQASA-N -1 3 226.236 0.345 20 0 BCADHM CN(C)CCN(C)C(=O)CCSCC(=O)[O-] ZINC000830603994 587559748 /nfs/dbraw/zinc/55/97/48/587559748.db2.gz CIXGCXPEOSKETQ-UHFFFAOYSA-N -1 3 248.348 0.214 20 0 BCADHM COC(=O)/C(C)=C/CN(C)C[C@@H](C)C(=O)[O-] ZINC000831052770 587584048 /nfs/dbraw/zinc/58/40/48/587584048.db2.gz AKRTZAUODYOVSL-WHXYTISESA-N -1 3 229.276 0.758 20 0 BCADHM Cn1nccc1CN[C@H]1CCN(C(=O)[O-])C1 ZINC000831058380 587584096 /nfs/dbraw/zinc/58/40/96/587584096.db2.gz GEZJVPACTYFGBD-QMMMGPOBSA-N -1 3 224.264 0.262 20 0 BCADHM Cn1nccc1CNC(C)(C)CNC(=O)[O-] ZINC000831058428 587584110 /nfs/dbraw/zinc/58/41/10/587584110.db2.gz HMMQZCKVIQTBMK-UHFFFAOYSA-N -1 3 226.280 0.556 20 0 BCADHM COC(=O)[C@@H]1CCCN(C/C=C(\C)C(=O)[O-])C1 ZINC000831107496 587586231 /nfs/dbraw/zinc/58/62/31/587586231.db2.gz KURWHBYYTQAJMR-NAZIUFLLSA-N -1 3 241.287 0.902 20 0 BCADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCNC1=O ZINC000831395433 587603195 /nfs/dbraw/zinc/60/31/95/587603195.db2.gz VGYDTKYAVVRMEX-LURJTMIESA-N -1 3 238.218 0.606 20 0 BCADHM CC[C@@H](O)CC(=O)[N-]OCCSC ZINC000831582771 587620790 /nfs/dbraw/zinc/62/07/90/587620790.db2.gz GRSYLJSLVFZKSR-SSDOTTSWSA-N -1 3 207.295 0.558 20 0 BCADHM CCCON=C([O-])Nc1cn(C)nc1OC ZINC000831720661 587629025 /nfs/dbraw/zinc/62/90/25/587629025.db2.gz AJYFFTGVAVOGMQ-UHFFFAOYSA-N -1 3 228.252 0.892 20 0 BCADHM CCCO[N-]C(=O)Nc1cn(C)nc1OC ZINC000831720661 587629026 /nfs/dbraw/zinc/62/90/26/587629026.db2.gz AJYFFTGVAVOGMQ-UHFFFAOYSA-N -1 3 228.252 0.892 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H](COC)C(=O)OC ZINC000831812216 587632882 /nfs/dbraw/zinc/63/28/82/587632882.db2.gz OLAVUZCOVAUCOQ-LURJTMIESA-N -1 3 239.218 0.336 20 0 BCADHM CON(C)C(=O)CN(CCC(=O)[O-])C(C)C ZINC000831836515 587633531 /nfs/dbraw/zinc/63/35/31/587633531.db2.gz IZWVXDRXRROINM-UHFFFAOYSA-N -1 3 232.280 0.191 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1cn(C)nn1 ZINC000831992157 587641552 /nfs/dbraw/zinc/64/15/52/587641552.db2.gz ZLYVMSOGUMPSIG-UHFFFAOYSA-N -1 3 218.207 0.477 20 0 BCADHM C[C@@H](N)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000831961245 587639157 /nfs/dbraw/zinc/63/91/57/587639157.db2.gz VJKQILCLKVINJV-SCSAIBSYSA-N -1 3 215.640 0.726 20 0 BCADHM O=C([O-])N1CC[C@@H](NCc2cncs2)C1 ZINC000831963928 587639766 /nfs/dbraw/zinc/63/97/66/587639766.db2.gz PUFJBKVTYUJUFO-SSDOTTSWSA-N -1 3 227.289 0.985 20 0 BCADHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1CCO ZINC000831996603 587642054 /nfs/dbraw/zinc/64/20/54/587642054.db2.gz HSSYFHIMTDUNPN-WDEREUQCSA-N -1 3 242.319 0.976 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CC[C@H]2CCOC2=O)C1 ZINC000832386913 587657207 /nfs/dbraw/zinc/65/72/07/587657207.db2.gz SFAUEECWNWQAAL-DTWKUNHWSA-N -1 3 242.275 0.282 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CCCCCCO)C1 ZINC000832386854 587657421 /nfs/dbraw/zinc/65/74/21/587657421.db2.gz PGCDSHHFURPPLX-SNVBAGLBSA-N -1 3 230.308 0.881 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)CCc1cnn(C)n1 ZINC000832733822 587681030 /nfs/dbraw/zinc/68/10/30/587681030.db2.gz WYAJIOVDGLUSJP-SECBINFHSA-N -1 3 240.307 0.842 20 0 BCADHM Cc1ncc(CN(CC(=O)[O-])C2CC2)cn1 ZINC000833008722 587696858 /nfs/dbraw/zinc/69/68/58/587696858.db2.gz RNACMLNGYPHKIA-UHFFFAOYSA-N -1 3 221.260 0.834 20 0 BCADHM Cc1ncc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)cn1 ZINC000833008616 587697027 /nfs/dbraw/zinc/69/70/27/587697027.db2.gz MODOEKIXPUWRDZ-GZMMTYOYSA-N -1 3 235.287 0.938 20 0 BCADHM O=C([O-])CCNC(=O)CN1CCC2(CCC2)C1 ZINC000833236780 587702873 /nfs/dbraw/zinc/70/28/73/587702873.db2.gz KUJCVACECXFRPM-UHFFFAOYSA-N -1 3 240.303 0.453 20 0 BCADHM C/C(=C/CN(C)CCNC(=O)N(C)C)C(=O)[O-] ZINC000833385680 587712392 /nfs/dbraw/zinc/71/23/92/587712392.db2.gz XBUINWVBOQEXOP-UITAMQMPSA-N -1 3 243.307 0.220 20 0 BCADHM CC(=O)CCN1CCSC[C@@H]1CC(=O)[O-] ZINC000833388060 587713137 /nfs/dbraw/zinc/71/31/37/587713137.db2.gz GPOURWLYYORMSB-VIFPVBQESA-N -1 3 231.317 0.858 20 0 BCADHM CC(C)=CCN1CCC(O)(C(=O)[O-])CC1 ZINC000833462738 587715851 /nfs/dbraw/zinc/71/58/51/587715851.db2.gz RBAZPQCKSWYVQS-UHFFFAOYSA-N -1 3 213.277 0.864 20 0 BCADHM C[C@H](O)[C@@H]1CCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833530525 587719385 /nfs/dbraw/zinc/71/93/85/587719385.db2.gz VJBAXOIOYSEYON-WCBMZHEXSA-N -1 3 238.287 0.916 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN(C)CCO)O1 ZINC000833575537 587720905 /nfs/dbraw/zinc/72/09/05/587720905.db2.gz ALABLAHBBGUPIX-QMMMGPOBSA-N -1 3 215.249 0.058 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN(C)C[C@H](C)O)O1 ZINC000833576924 587720868 /nfs/dbraw/zinc/72/08/68/587720868.db2.gz LYGZCZXGSMXULB-CBAPKCEASA-N -1 3 229.276 0.447 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN(C)C[C@@H](C)O)O1 ZINC000833576926 587721045 /nfs/dbraw/zinc/72/10/45/587721045.db2.gz LYGZCZXGSMXULB-VXNVDRBHSA-N -1 3 229.276 0.447 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2C[C@@H](C)[C@@H](O)C2)O1 ZINC000833585509 587722136 /nfs/dbraw/zinc/72/21/36/587722136.db2.gz XMUNACALWKTJGL-ZOFUNIGCSA-N -1 3 241.287 0.447 20 0 BCADHM C[C@H]1CC[C@H](NCc2cn(CC(=O)[O-])nn2)C1 ZINC000833603419 587723347 /nfs/dbraw/zinc/72/33/47/587723347.db2.gz KXBBCZNANBEKJS-IUCAKERBSA-N -1 3 238.291 0.641 20 0 BCADHM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(C)(C)O ZINC000833628861 587725085 /nfs/dbraw/zinc/72/50/85/587725085.db2.gz PDBDPGSBUGEMJK-SNVBAGLBSA-N -1 3 244.335 0.238 20 0 BCADHM CCN(CC1CC1)[C@@H](C)C(=O)NCC(=O)[O-] ZINC000833654442 587727058 /nfs/dbraw/zinc/72/70/58/587727058.db2.gz QDIAEGLZVDGKAS-QMMMGPOBSA-N -1 3 228.292 0.308 20 0 BCADHM CCN(CC1CC1)[C@H](C)C(=O)NCC(=O)[O-] ZINC000833654441 587727165 /nfs/dbraw/zinc/72/71/65/587727165.db2.gz QDIAEGLZVDGKAS-MRVPVSSYSA-N -1 3 228.292 0.308 20 0 BCADHM CN(CC(C)(C)O)[C@@H](C(=O)[O-])c1cccnc1 ZINC000833692729 587727869 /nfs/dbraw/zinc/72/78/69/587727869.db2.gz WWAKPJOPDFGSNZ-SNVBAGLBSA-N -1 3 238.287 0.910 20 0 BCADHM CN(CC(=O)[O-])Cc1cccc2c1OCO2 ZINC000833691857 587728424 /nfs/dbraw/zinc/72/84/24/587728424.db2.gz PLFXLNZBWCPYLW-UHFFFAOYSA-N -1 3 223.228 0.932 20 0 BCADHM CNC(=O)[C@H](NC/C=C(\C)C(=O)[O-])C(C)C ZINC000833699039 587729352 /nfs/dbraw/zinc/72/93/52/587729352.db2.gz DCBOBPHHRTWRQF-WHXYTISESA-N -1 3 228.292 0.378 20 0 BCADHM COCC1(NCc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833722888 587729895 /nfs/dbraw/zinc/72/98/95/587729895.db2.gz PXORWUCRKIAHKJ-UHFFFAOYSA-N -1 3 224.260 0.982 20 0 BCADHM O=C([O-])[C@H](O)C1CCN(CCCF)CC1 ZINC000833771062 587730965 /nfs/dbraw/zinc/73/09/65/587730965.db2.gz ULENZIJWCRIAHM-SECBINFHSA-N -1 3 219.256 0.504 20 0 BCADHM O=C([O-])c1cc(CN2CCC[C@@H](O)C2)c[nH]1 ZINC000833778874 587731285 /nfs/dbraw/zinc/73/12/85/587731285.db2.gz GMAOCRYKYQMNPB-SECBINFHSA-N -1 3 224.260 0.670 20 0 BCADHM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(C)C ZINC000833827586 587734528 /nfs/dbraw/zinc/73/45/28/587734528.db2.gz BLQGUPHQZOHGKS-IUCAKERBSA-N -1 3 243.307 0.053 20 0 BCADHM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC1OCCO1 ZINC000833829884 587734967 /nfs/dbraw/zinc/73/49/67/587734967.db2.gz HMZAUMKXSBGTBI-IUCAKERBSA-N -1 3 244.291 0.337 20 0 BCADHM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CCF ZINC000833833847 587735462 /nfs/dbraw/zinc/73/54/62/587735462.db2.gz LAJHANBXGFACFS-SFYZADRCSA-N -1 3 204.245 0.934 20 0 BCADHM CN(CCNC(=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000833872904 587737617 /nfs/dbraw/zinc/73/76/17/587737617.db2.gz QYQDKIRTTHGKRL-UWVGGRQHSA-N -1 3 230.308 0.737 20 0 BCADHM COC(=O)CCN(C)CCN(C)C(=O)[O-] ZINC000833878600 587737936 /nfs/dbraw/zinc/73/79/36/587737936.db2.gz ISAWPYARMCUGKC-UHFFFAOYSA-N -1 3 218.253 0.091 20 0 BCADHM COCCN(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833883482 587738425 /nfs/dbraw/zinc/73/84/25/587738425.db2.gz JVAWUSTVTQSHOZ-SNVBAGLBSA-N -1 3 228.292 0.850 20 0 BCADHM Cn1ccc(CN2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000833951387 587739449 /nfs/dbraw/zinc/73/94/49/587739449.db2.gz VGCBCQIUSSOQEK-SNVBAGLBSA-N -1 3 223.276 0.867 20 0 BCADHM Cn1cncc1CNC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833958479 587740262 /nfs/dbraw/zinc/74/02/62/587740262.db2.gz IADQBWJLKOCLTB-VIFPVBQESA-N -1 3 238.291 0.510 20 0 BCADHM Cn1nncc1CN[C@H]1CCCN(C(=O)[O-])C1 ZINC000833961746 587740290 /nfs/dbraw/zinc/74/02/90/587740290.db2.gz WOPMXRQVKATZCO-QMMMGPOBSA-N -1 3 239.279 0.047 20 0 BCADHM O=C([O-])N1CCC[C@H](NC2CSC2)C1 ZINC000834105914 587745627 /nfs/dbraw/zinc/74/56/27/587745627.db2.gz ZZSIABBFWMQOHD-ZETCQYMHSA-N -1 3 216.306 0.834 20 0 BCADHM O=C([O-])N1CCCN(CCn2ccnc2)CC1 ZINC000834109903 587746244 /nfs/dbraw/zinc/74/62/44/587746244.db2.gz MRTYVKWRWHACNG-UHFFFAOYSA-N -1 3 238.291 0.569 20 0 BCADHM O=C([O-])N1CCC[C@H]1CN1CCC[C@H](O)C1 ZINC000834111437 587746253 /nfs/dbraw/zinc/74/62/53/587746253.db2.gz KYPSMWAQOISXBY-UWVGGRQHSA-N -1 3 228.292 0.586 20 0 BCADHM O=C([O-])NC[C@H]1CCCN1CCn1ccnc1 ZINC000834222016 587749100 /nfs/dbraw/zinc/74/91/00/587749100.db2.gz WHPJYEKCVXVYOH-SNVBAGLBSA-N -1 3 238.291 0.615 20 0 BCADHM O=C([O-])NC[C@@H]1CCCN([C@H]2CCOC2)C1 ZINC000834222485 587749140 /nfs/dbraw/zinc/74/91/40/587749140.db2.gz YHJWDYSJXFTJRW-UWVGGRQHSA-N -1 3 228.292 0.755 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]OCC(C)(C)O)C1 ZINC000834618630 587760952 /nfs/dbraw/zinc/76/09/52/587760952.db2.gz XLFMEHYYYJNAND-VIFPVBQESA-N -1 3 230.308 0.147 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]OCC(C)(C)O ZINC000834621859 587761385 /nfs/dbraw/zinc/76/13/85/587761385.db2.gz LLJVUBKUPYWBHT-ZETCQYMHSA-N -1 3 233.264 0.004 20 0 BCADHM CC(C)(O)CO[N-]C(=O)/C=C/[C@@H]1CCCO1 ZINC000834628600 587761755 /nfs/dbraw/zinc/76/17/55/587761755.db2.gz SCYHKCPXGXWJCM-CYNONHLPSA-N -1 3 229.276 0.540 20 0 BCADHM Cn1cc(/C=C/C(=O)[N-]OCC(C)(C)O)cn1 ZINC000834628267 587761759 /nfs/dbraw/zinc/76/17/59/587761759.db2.gz DLQKGYIRTMBXQF-SNAWJCMRSA-N -1 3 239.275 0.252 20 0 BCADHM Cc1nn(C)cc1CC(=O)[N-]OCC(C)(C)O ZINC000834630701 587762195 /nfs/dbraw/zinc/76/21/95/587762195.db2.gz CJAOOAIOYDZRMK-UHFFFAOYSA-N -1 3 241.291 0.090 20 0 BCADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2nncn2C)C1 ZINC000867151834 587821695 /nfs/dbraw/zinc/82/16/95/587821695.db2.gz PDMBZHGSLQNJCO-YUMQZZPRSA-N -1 3 244.320 0.282 20 0 BCADHM CC(F)(F)C(=O)[N-][C@@H]1C[C@H]2CCCCN2C1=O ZINC000836251207 587829606 /nfs/dbraw/zinc/82/96/06/587829606.db2.gz SFLIUJDPRZAQQA-HTQZYQBOSA-N -1 3 246.257 0.911 20 0 BCADHM CC(F)(F)C(=O)[N-][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000836251208 587829665 /nfs/dbraw/zinc/82/96/65/587829665.db2.gz SFLIUJDPRZAQQA-JGVFFNPUSA-N -1 3 246.257 0.911 20 0 BCADHM CC(F)(F)C(=O)[N-][C@H]1C[C@@H]2CCCCN2C1=O ZINC000836251210 587829682 /nfs/dbraw/zinc/82/96/82/587829682.db2.gz SFLIUJDPRZAQQA-YUMQZZPRSA-N -1 3 246.257 0.911 20 0 BCADHM Cn1ncc(CNC2(C(=O)[O-])CCCCC2)n1 ZINC000836692143 587836061 /nfs/dbraw/zinc/83/60/61/587836061.db2.gz PJRXVLYVSUNSSD-UHFFFAOYSA-N -1 3 238.291 0.692 20 0 BCADHM CCN1CCCC[C@@H]1C(=O)[N-]OC(C)(C)CO ZINC000836803457 587837661 /nfs/dbraw/zinc/83/76/61/587837661.db2.gz IQKQWTUIWJUOAR-SNVBAGLBSA-N -1 3 244.335 0.680 20 0 BCADHM CCCN(C)CC(=O)[N-]OC(C)(C)CO ZINC000836803095 587837746 /nfs/dbraw/zinc/83/77/46/587837746.db2.gz HKTXSTXQVCJBDV-UHFFFAOYSA-N -1 3 218.297 0.147 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1CC1(C)C ZINC000836804842 587838113 /nfs/dbraw/zinc/83/81/13/587838113.db2.gz KGBOEPHYWOLZDA-SSDOTTSWSA-N -1 3 201.266 0.851 20 0 BCADHM CC(C)(C)C[C@@H](O)CC(=O)[N-]OC(C)(C)CO ZINC000836806383 587838317 /nfs/dbraw/zinc/83/83/17/587838317.db2.gz ORLXTTJQIXVPRO-VIFPVBQESA-N -1 3 247.335 0.992 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1CCCSC1 ZINC000836805968 587838406 /nfs/dbraw/zinc/83/84/06/587838406.db2.gz KRILZYQITTWWDQ-QMMMGPOBSA-N -1 3 233.333 0.948 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1CCSC1 ZINC000836890838 587841662 /nfs/dbraw/zinc/84/16/62/587841662.db2.gz KVPHDTZMNCGDCM-IUCAKERBSA-N -1 3 233.333 0.804 20 0 BCADHM CO[C@@H](C)CCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836893364 587841727 /nfs/dbraw/zinc/84/17/27/587841727.db2.gz XTRJGRSOLXPHFF-UWVGGRQHSA-N -1 3 233.308 0.866 20 0 BCADHM CC(=O)CCCC(=O)[N-]O[C@H](CO)C(C)C ZINC000836900569 587842380 /nfs/dbraw/zinc/84/23/80/587842380.db2.gz GQIOIMHRDAFECW-SNVBAGLBSA-N -1 3 231.292 0.810 20 0 BCADHM CCn1nncc1COC(=O)c1cncc([O-])c1 ZINC000837517483 587879462 /nfs/dbraw/zinc/87/94/62/587879462.db2.gz PMJQZNMKJQHAPR-UHFFFAOYSA-N -1 3 248.242 0.756 20 0 BCADHM COCC1(C(=O)[N-]OCCN(C)C)CCCC1 ZINC000837676318 587890306 /nfs/dbraw/zinc/89/03/06/587890306.db2.gz JJDUMSLLTCXCON-UHFFFAOYSA-N -1 3 244.335 0.803 20 0 BCADHM CC1(C)CC[C@@H](OC(=O)c2cnn[n-]2)C1=O ZINC000840573100 587912417 /nfs/dbraw/zinc/91/24/17/587912417.db2.gz XLPQQJAEJROERN-SSDOTTSWSA-N -1 3 223.232 0.719 20 0 BCADHM CC1(C)CC[C@@H](OC(=O)c2c[n-]nn2)C1=O ZINC000840573100 587912418 /nfs/dbraw/zinc/91/24/18/587912418.db2.gz XLPQQJAEJROERN-SSDOTTSWSA-N -1 3 223.232 0.719 20 0 BCADHM CO[C@@H](CC(C)C)C(=O)[N-]OCCN(C)C ZINC000841441498 587954237 /nfs/dbraw/zinc/95/42/37/587954237.db2.gz LSBKZVIXEPEAHG-JTQLQIEISA-N -1 3 232.324 0.657 20 0 BCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)CCC2CC2)C(=O)O1 ZINC000841521845 587956887 /nfs/dbraw/zinc/95/68/87/587956887.db2.gz GNLATDXFDSOJFN-VXNVDRBHSA-N -1 3 247.316 0.410 20 0 BCADHM CC(C)CS(=O)(=O)[N-][C@H]1C(=O)OCC1(C)C ZINC000841533015 587958244 /nfs/dbraw/zinc/95/82/44/587958244.db2.gz AIGHPGFAOZFYKV-QMMMGPOBSA-N -1 3 249.332 0.513 20 0 BCADHM C[C@H]1NCCN(C(=O)c2ccc(N)cc2[O-])[C@@H]1C ZINC000841850247 587977861 /nfs/dbraw/zinc/97/78/61/587977861.db2.gz GIYPXUWDCKABBQ-RKDXNWHRSA-N -1 3 249.314 0.797 20 0 BCADHM CSCCO[N-]C(=O)[C@H]1CCC(=O)C1 ZINC000843875635 588146961 /nfs/dbraw/zinc/14/69/61/588146961.db2.gz MRBGZZXOHVIUPZ-ZETCQYMHSA-N -1 3 217.290 0.766 20 0 BCADHM COCCCO[N-]C(=O)CC1(COC)CC1 ZINC000843885385 588147863 /nfs/dbraw/zinc/14/78/63/588147863.db2.gz IGESJISGSFKCCP-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC000843893960 588148133 /nfs/dbraw/zinc/14/81/33/588148133.db2.gz LIVNJXJNQBFGSI-SECBINFHSA-N -1 3 229.276 0.828 20 0 BCADHM COC(=O)C12CC(C(=O)[N-]OCC3CC3)(C1)C2 ZINC000843894139 588148267 /nfs/dbraw/zinc/14/82/67/588148267.db2.gz SONPBDHBHIXARI-UHFFFAOYSA-N -1 3 239.271 0.788 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC000843905226 588149558 /nfs/dbraw/zinc/14/95/58/588149558.db2.gz VLPCLEWEFGNIIX-SCZZXKLOSA-N -1 3 229.276 0.420 20 0 BCADHM CCCO[N-]C(=O)[C@H](C)CS(C)(=O)=O ZINC000844084593 588163370 /nfs/dbraw/zinc/16/33/70/588163370.db2.gz BMDRKKUGUFITBT-SSDOTTSWSA-N -1 3 223.294 0.125 20 0 BCADHM CCCO[N-]C(=O)CCCC(=O)NCC ZINC000844084345 588163407 /nfs/dbraw/zinc/16/34/07/588163407.db2.gz MGAQZJXZYVCNNU-UHFFFAOYSA-N -1 3 216.281 0.751 20 0 BCADHM CCCO[N-]C(=O)CN(C)[C@@H]1CCSC1 ZINC000844085699 588163930 /nfs/dbraw/zinc/16/39/30/588163930.db2.gz JVGJRJMSDAKFAI-SECBINFHSA-N -1 3 232.349 0.882 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1CCc2nncn2C1 ZINC000844088299 588165921 /nfs/dbraw/zinc/16/59/21/588165921.db2.gz NXWYRXKKIDABCY-MRVPVSSYSA-N -1 3 224.264 0.298 20 0 BCADHM C[C@H]([N-]C(=O)C(F)F)c1ccn(C)n1 ZINC000844566949 588203018 /nfs/dbraw/zinc/20/30/18/588203018.db2.gz LEHIOGZPFKDIGZ-YFKPBYRVSA-N -1 3 203.192 0.862 20 0 BCADHM CC(C)n1cnc([N-]C(=O)c2ncccn2)n1 ZINC000844730341 588215103 /nfs/dbraw/zinc/21/51/03/588215103.db2.gz HGSLUFBSLQKSPO-UHFFFAOYSA-N -1 3 232.247 0.901 20 0 BCADHM CC(C)N(CC(=O)[O-])C(=O)[C@]1(F)CCNC1 ZINC000844934146 588219626 /nfs/dbraw/zinc/21/96/26/588219626.db2.gz DKDSQLAUWQMBJP-JTQLQIEISA-N -1 3 232.255 0.010 20 0 BCADHM CO[N-]C(=O)Cc1cn2c(n1)CCCC2 ZINC000845155081 588222617 /nfs/dbraw/zinc/22/26/17/588222617.db2.gz HBCSHQLFGVHKNV-UHFFFAOYSA-N -1 3 209.249 0.440 20 0 BCADHM CCC[C@H](CC)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845493373 588230707 /nfs/dbraw/zinc/23/07/07/588230707.db2.gz INGUOGKNGMWWIQ-IUCAKERBSA-N -1 3 249.332 0.800 20 0 BCADHM Cc1cc(C(=O)NCCn2cnnn2)ccc1[O-] ZINC000845800596 588245803 /nfs/dbraw/zinc/24/58/03/588245803.db2.gz SINQCONDWCNYJT-UHFFFAOYSA-N -1 3 247.258 0.117 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000845913497 588250315 /nfs/dbraw/zinc/25/03/15/588250315.db2.gz QWMPHFNDCQKJOY-DTWKUNHWSA-N -1 3 226.276 0.346 20 0 BCADHM CCC[C@H](C)S(=O)(=O)[N-][C@]1(C)CCOC1=O ZINC000845936631 588250786 /nfs/dbraw/zinc/25/07/86/588250786.db2.gz MHYGJCAGRLWHAM-WCBMZHEXSA-N -1 3 249.332 0.800 20 0 BCADHM CCC[C@H](C)S(=O)(=O)[N-][C@@]1(C)CCOC1=O ZINC000845936634 588250825 /nfs/dbraw/zinc/25/08/25/588250825.db2.gz MHYGJCAGRLWHAM-WPRPVWTQSA-N -1 3 249.332 0.800 20 0 BCADHM CCOCCO[N-]C(=O)/C=C(/C)COC ZINC000845957846 588251806 /nfs/dbraw/zinc/25/18/06/588251806.db2.gz GAJJBGVVCGVEMZ-CLFYSBASSA-N -1 3 217.265 0.663 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc(F)nc1 ZINC000846085062 588255751 /nfs/dbraw/zinc/25/57/51/588255751.db2.gz IWHAZKBIVBJXTM-UHFFFAOYSA-N -1 3 227.239 0.378 20 0 BCADHM CCO[N-]C(=O)CN[C@@H](C)Cc1ccoc1 ZINC000846090451 588256259 /nfs/dbraw/zinc/25/62/59/588256259.db2.gz ASPVEXXMMJZEOW-VIFPVBQESA-N -1 3 226.276 0.868 20 0 BCADHM CCO[N-]C(=O)CNCc1ccnn1C(C)C ZINC000846088664 588256292 /nfs/dbraw/zinc/25/62/92/588256292.db2.gz ZEBSUMPOHLZTKE-UHFFFAOYSA-N -1 3 240.307 0.621 20 0 BCADHM CCO[N-]C(=O)CNCc1cccc(O)c1 ZINC000846090854 588256311 /nfs/dbraw/zinc/25/63/11/588256311.db2.gz LBHALVPASBIIQQ-UHFFFAOYSA-N -1 3 224.260 0.550 20 0 BCADHM CCO[N-]C(=O)CNCc1cnn(C(C)C)c1 ZINC000846089343 588256330 /nfs/dbraw/zinc/25/63/30/588256330.db2.gz RQUSFCDLIRCJTN-UHFFFAOYSA-N -1 3 240.307 0.621 20 0 BCADHM CCO[N-]C(=O)CN[C@@H]1CC[C@@H]1SC ZINC000846090918 588256451 /nfs/dbraw/zinc/25/64/51/588256451.db2.gz NBTIXAHNZWLUBD-SFYZADRCSA-N -1 3 218.322 0.538 20 0 BCADHM O=C(CCc1cn[nH]n1)[N-]OCC(F)F ZINC000867408319 588261909 /nfs/dbraw/zinc/26/19/09/588261909.db2.gz AEXFIPNRHJNADQ-UHFFFAOYSA-N -1 3 220.179 0.050 20 0 BCADHM O=C(CCc1c[nH]nn1)[N-]OCC(F)F ZINC000867408319 588261910 /nfs/dbraw/zinc/26/19/10/588261910.db2.gz AEXFIPNRHJNADQ-UHFFFAOYSA-N -1 3 220.179 0.050 20 0 BCADHM COC/C(C)=C/C(=O)[N-]O[C@H](CO)C(C)C ZINC000846241032 588262264 /nfs/dbraw/zinc/26/22/64/588262264.db2.gz DLSVOMKCNSRJOV-NAZIUFLLSA-N -1 3 231.292 0.644 20 0 BCADHM COCCN(CCC(=O)[O-])C[C@H]1CC[C@@H](C)O1 ZINC000846270421 588263283 /nfs/dbraw/zinc/26/32/83/588263283.db2.gz WVULIRCJTCWLLJ-GHMZBOCLSA-N -1 3 245.319 0.977 20 0 BCADHM CCC[C@H](OC)C(=O)[N-]OC1CCN(C)CC1 ZINC000846651803 588280702 /nfs/dbraw/zinc/28/07/02/588280702.db2.gz VOMVVPJQDJJQMC-NSHDSACASA-N -1 3 244.335 0.944 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@H]2CC2(F)F)CC1 ZINC000846650939 588280722 /nfs/dbraw/zinc/28/07/22/588280722.db2.gz GWEAOFGATQFUMI-MRVPVSSYSA-N -1 3 234.246 0.784 20 0 BCADHM CC(=O)C1(C(=O)[N-]OC2CCN(C)CC2)CC1 ZINC000846650225 588280904 /nfs/dbraw/zinc/28/09/04/588280904.db2.gz UMUHUAKGGALWDF-UHFFFAOYSA-N -1 3 240.303 0.498 20 0 BCADHM COCCO[N-]C(=O)CN1CC[C@H](C)C1 ZINC000847548292 588316609 /nfs/dbraw/zinc/31/66/09/588316609.db2.gz KYEUPNQRJMNPJF-VIFPVBQESA-N -1 3 216.281 0.022 20 0 BCADHM COCCO[N-]C(=O)c1cc(OC)cnc1F ZINC000847548293 588316828 /nfs/dbraw/zinc/31/68/28/588316828.db2.gz KZSZUKUKJSSVOA-UHFFFAOYSA-N -1 3 244.222 0.537 20 0 BCADHM CSCCO[N-]C(=O)C1NC(=O)N=C1C ZINC000848020942 588348517 /nfs/dbraw/zinc/34/85/17/588348517.db2.gz NSPBGNUTNOBXFT-UHFFFAOYSA-N -1 3 231.277 0.448 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)O[C@H]1CNOC1 ZINC000848056917 588350266 /nfs/dbraw/zinc/35/02/66/588350266.db2.gz DVONXIYSCXYQNT-QMMMGPOBSA-N -1 3 241.218 0.520 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)O[C@H]1CNOC1 ZINC000848060221 588352338 /nfs/dbraw/zinc/35/23/38/588352338.db2.gz NXQQESJZZUESLA-SYBPUXJVSA-N -1 3 236.227 0.247 20 0 BCADHM O=C(O[C@H]1CNOC1)c1ccc([O-])cc1O ZINC000848060216 588352406 /nfs/dbraw/zinc/35/24/06/588352406.db2.gz NVDKJSYKXYWCKL-ZETCQYMHSA-N -1 3 225.200 0.158 20 0 BCADHM CC1=NC(=O)NC1C(=O)[N-]OC/C=C\Cl ZINC000848105206 588356088 /nfs/dbraw/zinc/35/60/88/588356088.db2.gz MBNDVDJMWFCXLE-IHWYPQMZSA-N -1 3 231.639 0.838 20 0 BCADHM CC1=NC(=O)NC1C(=O)[N-]OCC1CC1 ZINC000848129369 588359501 /nfs/dbraw/zinc/35/95/01/588359501.db2.gz RNABBCDBCJTGRT-UHFFFAOYSA-N -1 3 211.221 0.495 20 0 BCADHM CN(C)CCO[N-]C(=O)c1c(F)ccnc1F ZINC000848160735 588362751 /nfs/dbraw/zinc/36/27/51/588362751.db2.gz XUPOHKHVMURAGH-UHFFFAOYSA-N -1 3 245.229 0.583 20 0 BCADHM Cc1cnc(CNC(=O)Cc2cncc([O-])c2)o1 ZINC000848371018 588374631 /nfs/dbraw/zinc/37/46/31/588374631.db2.gz GQOZIQCRBQLHFM-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM CCc1coc(NC(=O)c2n[n-]nc2C)n1 ZINC000848378808 588374815 /nfs/dbraw/zinc/37/48/15/588374815.db2.gz WIVNDGAQGOJTHE-UHFFFAOYSA-N -1 3 221.220 0.916 20 0 BCADHM O=C(Cc1cncc(O)c1)[N-]OCC1CC1 ZINC000848386082 588375788 /nfs/dbraw/zinc/37/57/88/588375788.db2.gz GSPWWQPWAOHOHC-UHFFFAOYSA-N -1 3 222.244 0.788 20 0 BCADHM O=C([O-])CN(CC1CC1)C(=O)[C@@]1(F)CCNC1 ZINC000849366208 588476031 /nfs/dbraw/zinc/47/60/31/588476031.db2.gz PKFJVOKLUQANOK-LLVKDONJSA-N -1 3 244.266 0.011 20 0 BCADHM N[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000849365924 588476076 /nfs/dbraw/zinc/47/60/76/588476076.db2.gz FGBULFKLVLUSHV-XHNCKOQMSA-N -1 3 226.276 0.189 20 0 BCADHM C[C@H](C(=O)[O-])N(C(=O)[C@]1(F)CCNC1)C1CC1 ZINC000849365750 588476079 /nfs/dbraw/zinc/47/60/79/588476079.db2.gz BLUJCTOANSMWEE-HQJQHLMTSA-N -1 3 244.266 0.152 20 0 BCADHM N[C@@H]1C[C@@H]1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000849364167 588476137 /nfs/dbraw/zinc/47/61/37/588476137.db2.gz DTTJXKXHBVYSQA-JGVFFNPUSA-N -1 3 226.276 0.237 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@H]2C=CCC2)c1 ZINC000849429979 588478278 /nfs/dbraw/zinc/47/82/78/588478278.db2.gz GOEZBYZWPCVYRV-QMMMGPOBSA-N -1 3 227.289 0.417 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@@H](O)C(C)C ZINC000849769377 588496153 /nfs/dbraw/zinc/49/61/53/588496153.db2.gz WRUFSHLZEBCDEF-SSDOTTSWSA-N -1 3 213.237 0.287 20 0 BCADHM CO[C@H](COC(=O)c1cnn[n-]1)[C@H]1CCOC1 ZINC000849776358 588497049 /nfs/dbraw/zinc/49/70/49/588497049.db2.gz JLZDTKKXSSOIFQ-IONNQARKSA-N -1 3 241.247 0.013 20 0 BCADHM CO[C@H](COC(=O)c1c[n-]nn1)[C@H]1CCOC1 ZINC000849776358 588497050 /nfs/dbraw/zinc/49/70/50/588497050.db2.gz JLZDTKKXSSOIFQ-IONNQARKSA-N -1 3 241.247 0.013 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCC1CCC1 ZINC000849896516 588508590 /nfs/dbraw/zinc/50/85/90/588508590.db2.gz YURBQPDCTKRYGB-MRVPVSSYSA-N -1 3 246.332 0.584 20 0 BCADHM Cc1cc(=O)[n-]c(CN[C@@H]2C[C@@H](O)C23CCC3)n1 ZINC000852585073 588692314 /nfs/dbraw/zinc/69/23/14/588692314.db2.gz XNGRDFYRWSSHJM-NXEZZACHSA-N -1 3 249.314 0.884 20 0 BCADHM O=C([N-]N1CCCNC1=O)c1cnn(C2CC2)c1 ZINC000860641005 589112192 /nfs/dbraw/zinc/11/21/92/589112192.db2.gz WYRLIZRXRJOBPL-UHFFFAOYSA-N -1 3 249.274 0.278 20 0 BCADHM O=Cc1ccc(CC(=O)[N-]OCCO)cc1 ZINC000860939273 589135707 /nfs/dbraw/zinc/13/57/07/589135707.db2.gz REIOCSKSJKZLAM-UHFFFAOYSA-N -1 3 223.228 0.082 20 0 BCADHM CCON=C([O-])Nc1cc(OC)n[nH]1 ZINC000861382110 589162179 /nfs/dbraw/zinc/16/21/79/589162179.db2.gz HSZDIAWVTUDQAJ-UHFFFAOYSA-N -1 3 200.198 0.491 20 0 BCADHM CCO[N-]C(=O)Nc1cc(OC)n[nH]1 ZINC000861382110 589162180 /nfs/dbraw/zinc/16/21/80/589162180.db2.gz HSZDIAWVTUDQAJ-UHFFFAOYSA-N -1 3 200.198 0.491 20 0 BCADHM CCOCCON=C([O-])Nc1cc(OC)n[nH]1 ZINC000861381946 589162404 /nfs/dbraw/zinc/16/24/04/589162404.db2.gz JELOBZAWGLMHNI-UHFFFAOYSA-N -1 3 244.251 0.508 20 0 BCADHM CCOCCO[N-]C(=O)Nc1cc(OC)n[nH]1 ZINC000861381946 589162405 /nfs/dbraw/zinc/16/24/05/589162405.db2.gz JELOBZAWGLMHNI-UHFFFAOYSA-N -1 3 244.251 0.508 20 0 BCADHM C[C@H](C(=O)[N-]OC/C=C\Cl)[C@H]1CCC(=O)N1 ZINC000861782678 589178116 /nfs/dbraw/zinc/17/81/16/589178116.db2.gz HGFJDTNECHZSHF-WQEPKDQRSA-N -1 3 246.694 0.701 20 0 BCADHM CCO[C@@H](C(=O)[N-]OCCN(C)C)C(C)C ZINC000861857202 589180869 /nfs/dbraw/zinc/18/08/69/589180869.db2.gz UQJSZIIETSASTI-SNVBAGLBSA-N -1 3 232.324 0.657 20 0 BCADHM NC(=O)c1ccc(CC(=O)[N-]OC2CCC2)cn1 ZINC000861881311 589181592 /nfs/dbraw/zinc/18/15/92/589181592.db2.gz RORDQVNWNNJLMD-UHFFFAOYSA-N -1 3 249.270 0.323 20 0 BCADHM C=CC(=O)N(C)CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000862043161 589190835 /nfs/dbraw/zinc/19/08/35/589190835.db2.gz CPGUVTJZEYMCAY-SSDOTTSWSA-N -1 3 241.316 0.238 20 0 BCADHM O=C([N-]N1CCOC1=O)C(F)=C1CCC1 ZINC000862705041 589232686 /nfs/dbraw/zinc/23/26/86/589232686.db2.gz ILNMWEAAXJRTGQ-UHFFFAOYSA-N -1 3 214.196 0.877 20 0 BCADHM CCc1cncc(C(=O)[N-]N2CCOC2=O)c1 ZINC000862704054 589235214 /nfs/dbraw/zinc/23/52/14/589235214.db2.gz YMRLMLRFYMPHTA-UHFFFAOYSA-N -1 3 235.243 0.741 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CN(C)C1CCC1 ZINC000863923771 589326827 /nfs/dbraw/zinc/32/68/27/589326827.db2.gz FKALOLXPSJLDBD-LLVKDONJSA-N -1 3 244.335 0.535 20 0 BCADHM CC(=O)[N-]OCC(=O)Nc1ccc(F)c(F)c1 ZINC000119928386 589348487 /nfs/dbraw/zinc/34/84/87/589348487.db2.gz JZNSABRBQQBPMM-UHFFFAOYSA-N -1 3 244.197 0.971 20 0 BCADHM O=C(NCCO)c1c(Cl)n[n-]c1C1CC1 ZINC000864406728 589359169 /nfs/dbraw/zinc/35/91/69/589359169.db2.gz KVZRBASTXSQNDD-UHFFFAOYSA-N -1 3 229.667 0.663 20 0 BCADHM CC[C@@]1(C(=O)[N-]C2=NCCS2)CCNC1=O ZINC000864604431 589383076 /nfs/dbraw/zinc/38/30/76/589383076.db2.gz RORCSCDJAUTVPJ-SNVBAGLBSA-N -1 3 241.316 0.122 20 0 BCADHM CCO[N-]C(=O)Cc1ccc(C(=O)OC)nc1 ZINC000864690787 589390416 /nfs/dbraw/zinc/39/04/16/589390416.db2.gz XWYUFVGLLAFNOP-UHFFFAOYSA-N -1 3 238.243 0.478 20 0 BCADHM CC(F)(F)C(=O)[N-]C1CN(c2ccncn2)C1 ZINC000866099607 589475779 /nfs/dbraw/zinc/47/57/79/589475779.db2.gz NCPMHPVCYMQQJC-UHFFFAOYSA-N -1 3 242.229 0.437 20 0 BCADHM CC(C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000866370018 589488661 /nfs/dbraw/zinc/48/86/61/589488661.db2.gz RIDBIGKPDNSNBX-UHFFFAOYSA-N -1 3 240.350 0.491 20 0 BCADHM O=C(CCc1cn[nH]n1)[N-]OCC(F)(F)F ZINC000866733683 589516924 /nfs/dbraw/zinc/51/69/24/589516924.db2.gz ZOOWEOUDPRRXNJ-UHFFFAOYSA-N -1 3 238.169 0.347 20 0 BCADHM O=C(CCc1c[nH]nn1)[N-]OCC(F)(F)F ZINC000866733683 589516926 /nfs/dbraw/zinc/51/69/26/589516926.db2.gz ZOOWEOUDPRRXNJ-UHFFFAOYSA-N -1 3 238.169 0.347 20 0 BCADHM O=C([N-]OCCO)[C@@H]1C[C@H]1c1ccco1 ZINC000867495731 589522476 /nfs/dbraw/zinc/52/24/76/589522476.db2.gz MXHZFWBWAGEYKF-HTQZYQBOSA-N -1 3 211.217 0.423 20 0 BCADHM O=C(C[C@@H]1Cc2ccccc2O1)[N-]OCCO ZINC000867496033 589522496 /nfs/dbraw/zinc/52/24/96/589522496.db2.gz XHQUGGWHMUBOQJ-JTQLQIEISA-N -1 3 237.255 0.420 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)C1CSC1 ZINC000867710630 589531617 /nfs/dbraw/zinc/53/16/17/589531617.db2.gz GJNOFOAFZSQYLE-SSDOTTSWSA-N -1 3 217.290 0.434 20 0 BCADHM O=C(CC1CSC1)[N-]OC[C@H]1CCOC1 ZINC000867712050 589531653 /nfs/dbraw/zinc/53/16/53/589531653.db2.gz ZYPDNKVJYFPVQT-QMMMGPOBSA-N -1 3 231.317 0.824 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCC1(O)CCC1 ZINC000867858769 589537281 /nfs/dbraw/zinc/53/72/81/589537281.db2.gz JSNLJVXUFVJRED-UHFFFAOYSA-N -1 3 231.292 0.500 20 0 BCADHM Cc1cc(N)cc(NC([O-])=NOCCO)c1 ZINC000868192007 589550714 /nfs/dbraw/zinc/55/07/14/589550714.db2.gz OVNOJFGXXYWDRU-UHFFFAOYSA-N -1 3 225.248 0.623 20 0 BCADHM Cc1cc(N)cc(NC(=O)[N-]OCCO)c1 ZINC000868192007 589550715 /nfs/dbraw/zinc/55/07/15/589550715.db2.gz OVNOJFGXXYWDRU-UHFFFAOYSA-N -1 3 225.248 0.623 20 0 BCADHM O=C(O[C@H]1CNOC1)c1cn[n-]c1-c1ccco1 ZINC000868244660 589552572 /nfs/dbraw/zinc/55/25/72/589552572.db2.gz AYLRRMSGMRYATP-ZETCQYMHSA-N -1 3 249.226 0.730 20 0 BCADHM O=C(O[C@H]1CNOC1)c1c[n-]nc1-c1ccco1 ZINC000868244660 589552573 /nfs/dbraw/zinc/55/25/73/589552573.db2.gz AYLRRMSGMRYATP-ZETCQYMHSA-N -1 3 249.226 0.730 20 0 BCADHM COC/C=C\C(=O)[N-]O[C@H](CO)C(C)C ZINC000868726065 589575001 /nfs/dbraw/zinc/57/50/01/589575001.db2.gz GIQBRKUKEFVZSZ-XRVBUDJMSA-N -1 3 217.265 0.254 20 0 BCADHM COC/C=C/C(=O)[N-]O[C@H](CO)C(C)C ZINC000868726063 589575030 /nfs/dbraw/zinc/57/50/30/589575030.db2.gz GIQBRKUKEFVZSZ-XNPJLODASA-N -1 3 217.265 0.254 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CCC1(O)CCC1 ZINC000868726225 589575094 /nfs/dbraw/zinc/57/50/94/589575094.db2.gz HJZAERMTMQYLIG-JTQLQIEISA-N -1 3 245.319 0.746 20 0 BCADHM CC(C)=C(C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869022906 589585441 /nfs/dbraw/zinc/58/54/41/589585441.db2.gz NKYXDVAHTZEIEF-UHFFFAOYSA-N -1 3 237.259 0.860 20 0 BCADHM O=C(N[C@H]1CCOC1=O)c1cccc2nn[n-]c21 ZINC000869095712 589587963 /nfs/dbraw/zinc/58/79/63/589587963.db2.gz ZIFWMYCWLIUZPE-QMMMGPOBSA-N -1 3 246.226 0.003 20 0 BCADHM O=C(N[C@H]1CCOC1=O)c1cccc2[n-]nnc21 ZINC000869095712 589587965 /nfs/dbraw/zinc/58/79/65/589587965.db2.gz ZIFWMYCWLIUZPE-QMMMGPOBSA-N -1 3 246.226 0.003 20 0 BCADHM O=C(N[C@H]1CCOC1=O)c1cccc2n[n-]nc21 ZINC000869095712 589587966 /nfs/dbraw/zinc/58/79/66/589587966.db2.gz ZIFWMYCWLIUZPE-QMMMGPOBSA-N -1 3 246.226 0.003 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@H]1CCO[C@@H]1C ZINC000869505187 589610441 /nfs/dbraw/zinc/61/04/41/589610441.db2.gz LLCYPXQTRLJNTI-HTQZYQBOSA-N -1 3 225.248 0.695 20 0 BCADHM O=C(OCCCC1CC1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000869547146 589613188 /nfs/dbraw/zinc/61/31/88/589613188.db2.gz JTTZKUWDSXBHRR-VIFPVBQESA-N -1 3 247.316 0.412 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N[C@H]1C[C@@H](CO)C1 ZINC000869872889 589634083 /nfs/dbraw/zinc/63/40/83/589634083.db2.gz UUABNIPGBRPJPK-GOHLFLMTSA-N -1 3 248.282 0.688 20 0 BCADHM CC[C@@H](Sc1n[n-]c(CO)n1)C(C)=O ZINC000871667104 589786075 /nfs/dbraw/zinc/78/60/75/589786075.db2.gz XXFGJRSYKCACKJ-ZCFIWIBFSA-N -1 3 215.278 0.757 20 0 BCADHM Cc1oc(=O)n(CC(=O)N(C)CC2CC2)c1[O-] ZINC000871779363 589814678 /nfs/dbraw/zinc/81/46/78/589814678.db2.gz BQTSXQZUHBPMJR-ZETCQYMHSA-N -1 3 240.259 0.222 20 0 BCADHM CCc1[n-]n(CCN(C)C)c(=O)c1F ZINC000871943483 589837104 /nfs/dbraw/zinc/83/71/04/589837104.db2.gz JYHPAWGSKRHGNU-MRVPVSSYSA-N -1 3 201.245 0.494 20 0 BCADHM Cc1[n-]n(C[C@H]2CCCO2)c(=O)c1F ZINC000871948938 589839216 /nfs/dbraw/zinc/83/92/16/589839216.db2.gz IUXMRUNDAQNFQF-HTQZYQBOSA-N -1 3 200.213 0.722 20 0 BCADHM Cc1[n-]n(C2CCOCC2)c(=O)c1F ZINC000871950989 589840157 /nfs/dbraw/zinc/84/01/57/589840157.db2.gz MNEAPMBYIFBERA-QMMMGPOBSA-N -1 3 200.213 0.722 20 0 BCADHM Cc1[n-]n(CCCN2CCOCC2)c(=O)c1F ZINC000871960158 589845082 /nfs/dbraw/zinc/84/50/82/589845082.db2.gz VHZMMPQQUPCTDF-JTQLQIEISA-N -1 3 243.282 0.265 20 0 BCADHM Cc1[n-]n([C@@H]2CCC[C@H]2O)c(=O)c1F ZINC000871961983 589846366 /nfs/dbraw/zinc/84/63/66/589846366.db2.gz UFMFYMQEQAOEJG-BWZBUEFSSA-N -1 3 200.213 0.456 20 0 BCADHM CC(=O)c1cc(=O)n(C2=N[C@@H]3CCCC[C@@H]3N2)[n-]1 ZINC000871962811 589847106 /nfs/dbraw/zinc/84/71/06/589847106.db2.gz IXNQPLSEBGEYJE-DTORHVGOSA-N -1 3 248.286 0.434 20 0 BCADHM Cc1[n-]n(C2=N[C@@H]3CCCC[C@@H]3N2)c(=O)c1F ZINC000871964063 589847459 /nfs/dbraw/zinc/84/74/59/589847459.db2.gz VXHVBCOLZZBJCE-HRDYMLBCSA-N -1 3 238.266 0.813 20 0 BCADHM COc1cncc([N-]S(C)(=O)=O)c1 ZINC000872006136 589855272 /nfs/dbraw/zinc/85/52/72/589855272.db2.gz PEJZRBGFATXACV-UHFFFAOYSA-N -1 3 202.235 0.462 20 0 BCADHM CC(C)[C@H](NCc1ccn(C)n1)C(=O)[O-] ZINC000123953880 589869413 /nfs/dbraw/zinc/86/94/13/589869413.db2.gz XRPMXSLJLXKMRE-VIFPVBQESA-N -1 3 211.265 0.619 20 0 BCADHM C[C@@H](O)CNc1cc(Cl)n[n-]c1=O ZINC000872387145 589930321 /nfs/dbraw/zinc/93/03/21/589930321.db2.gz FHCURJJAEKKTSZ-SCSAIBSYSA-N -1 3 203.629 0.628 20 0 BCADHM CN(C)C(=O)CN(C)c1cc(Cl)n[n-]c1=O ZINC000872392754 589931956 /nfs/dbraw/zinc/93/19/56/589931956.db2.gz XGJYUJBHIWNOGE-UHFFFAOYSA-N -1 3 244.682 0.360 20 0 BCADHM CC(C)c1nnc([N-]CC(=O)NC2CC2)o1 ZINC000872395139 589932595 /nfs/dbraw/zinc/93/25/95/589932595.db2.gz VCKGBDFIMDRPOV-UHFFFAOYSA-N -1 3 224.264 0.884 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CCC[C@@H]1CO ZINC000872427130 589938930 /nfs/dbraw/zinc/93/89/30/589938930.db2.gz UAGQDBWGQOLFAS-ZCFIWIBFSA-N -1 3 229.667 0.797 20 0 BCADHM COC[C@@](C)(O)CNc1cc(Cl)n[n-]c1=O ZINC000872451734 589940430 /nfs/dbraw/zinc/94/04/30/589940430.db2.gz PDOVKJQSDRPCGD-VIFPVBQESA-N -1 3 247.682 0.645 20 0 BCADHM CN1CCN(c2cc(Cl)n[n-]c2=O)CC1=O ZINC000872460983 589941794 /nfs/dbraw/zinc/94/17/94/589941794.db2.gz IBUVWAZWWHOLIO-UHFFFAOYSA-N -1 3 242.666 0.114 20 0 BCADHM CC(C)c1nnc([N-]Cc2ncnn2C)o1 ZINC000872469774 589942222 /nfs/dbraw/zinc/94/22/22/589942222.db2.gz ALOJUVPNGNOQCP-UHFFFAOYSA-N -1 3 222.252 0.934 20 0 BCADHM C[C@H]1CN(c2cc(Cl)n[n-]c2=O)C[C@H]1O ZINC000872499834 589943816 /nfs/dbraw/zinc/94/38/16/589943816.db2.gz DTJWEKZMLFWXSN-CAHLUQPWSA-N -1 3 229.667 0.653 20 0 BCADHM CO[C@@H]1CN(c2cc(Cl)n[n-]c2=O)CCO1 ZINC000872518565 589946371 /nfs/dbraw/zinc/94/63/71/589946371.db2.gz WKTLGPICSZFIMS-QMMMGPOBSA-N -1 3 245.666 0.645 20 0 BCADHM COCC(COC)Nc1cc(Cl)n[n-]c1=O ZINC000872559675 589948577 /nfs/dbraw/zinc/94/85/77/589948577.db2.gz ARFHJZPPJSTBFJ-UHFFFAOYSA-N -1 3 247.682 0.909 20 0 BCADHM CC(=O)NCCN(C)c1cc(Cl)n[n-]c1=O ZINC000872581506 589954626 /nfs/dbraw/zinc/95/46/26/589954626.db2.gz ATPAJZNZSOVNKT-UHFFFAOYSA-N -1 3 244.682 0.408 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-][C@H]1CC12CCC2 ZINC000872650177 589958708 /nfs/dbraw/zinc/95/87/08/589958708.db2.gz RRGUEWJKVFGYSQ-ZETCQYMHSA-N -1 3 242.304 0.036 20 0 BCADHM N[C@@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000872771667 589967569 /nfs/dbraw/zinc/96/75/69/589967569.db2.gz KFZSEDBCOUGAHF-ZCFIWIBFSA-N -1 3 228.683 0.763 20 0 BCADHM Cc1cccc(C(=O)NCC[S@](C)=O)c1[O-] ZINC000124287823 589973597 /nfs/dbraw/zinc/97/35/97/589973597.db2.gz BEUPBVFMJLKHGD-MRXNPFEDSA-N -1 3 241.312 0.809 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2CCOC2=O)c([O-])c1 ZINC000019836711 589990148 /nfs/dbraw/zinc/99/01/48/589990148.db2.gz UNVOZWFHCKSRPJ-VIFPVBQESA-N -1 3 235.239 0.746 20 0 BCADHM O=C(OC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cnn[n-]1 ZINC000873393942 590037218 /nfs/dbraw/zinc/03/72/18/590037218.db2.gz STKBLLHVBGRRLB-NRPADANISA-N -1 3 237.259 0.919 20 0 BCADHM O=C(OC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1c[n-]nn1 ZINC000873393942 590037220 /nfs/dbraw/zinc/03/72/20/590037220.db2.gz STKBLLHVBGRRLB-NRPADANISA-N -1 3 237.259 0.919 20 0 BCADHM CN1CCN(CC(=O)[O-])Cc2cccnc21 ZINC000873647192 590066302 /nfs/dbraw/zinc/06/63/02/590066302.db2.gz CTZOCBYGOSYTDJ-UHFFFAOYSA-N -1 3 221.260 0.418 20 0 BCADHM Cn1nccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000124811650 590090629 /nfs/dbraw/zinc/09/06/29/590090629.db2.gz GZSJAGWOPKFTES-VIFPVBQESA-N -1 3 240.263 1.000 20 0 BCADHM C[C@H](C(=O)[N-]O[C@@H]1CCCCO1)N(C)C ZINC000874262114 590100744 /nfs/dbraw/zinc/10/07/44/590100744.db2.gz JOSGILSAFHCWGP-RKDXNWHRSA-N -1 3 216.281 0.511 20 0 BCADHM Cc1nn(C)c(NC([O-])=NOCCO)c1Cl ZINC000888644128 590115767 /nfs/dbraw/zinc/11/57/67/590115767.db2.gz AVAPKTUUVMABQV-UHFFFAOYSA-N -1 3 248.670 0.427 20 0 BCADHM Cc1nn(C)c(NC(=O)[N-]OCCO)c1Cl ZINC000888644128 590115769 /nfs/dbraw/zinc/11/57/69/590115769.db2.gz AVAPKTUUVMABQV-UHFFFAOYSA-N -1 3 248.670 0.427 20 0 BCADHM CNC(=O)COC(=O)c1ccc([O-])cc1O ZINC000021152233 590167110 /nfs/dbraw/zinc/16/71/10/590167110.db2.gz FTMSVNNHWQTHSN-UHFFFAOYSA-N -1 3 225.200 0.001 20 0 BCADHM CC(C)OCCON=C([O-])Nc1ncccn1 ZINC000888700223 590187859 /nfs/dbraw/zinc/18/78/59/590187859.db2.gz ODUPJQSTGDPKJW-UHFFFAOYSA-N -1 3 240.263 0.955 20 0 BCADHM CC(C)OCCO[N-]C(=O)Nc1ncccn1 ZINC000888700223 590187861 /nfs/dbraw/zinc/18/78/61/590187861.db2.gz ODUPJQSTGDPKJW-UHFFFAOYSA-N -1 3 240.263 0.955 20 0 BCADHM CC(C)[C@H](CO)ON=C([O-])Nc1ncccn1 ZINC000888702935 590188945 /nfs/dbraw/zinc/18/89/45/590188945.db2.gz ZWCGFFJJCXJTDJ-QMMMGPOBSA-N -1 3 240.263 0.547 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)Nc1ncccn1 ZINC000888702935 590188947 /nfs/dbraw/zinc/18/89/47/590188947.db2.gz ZWCGFFJJCXJTDJ-QMMMGPOBSA-N -1 3 240.263 0.547 20 0 BCADHM COc1cc(C)nc(CN[C@H](C)C(=O)[O-])c1 ZINC000125983463 590202531 /nfs/dbraw/zinc/20/25/31/590202531.db2.gz KSNZTWVQPRRSBM-MRVPVSSYSA-N -1 3 224.260 0.961 20 0 BCADHM CCO[N-]C(=O)CNCc1cnc(OC)s1 ZINC000877614320 590373687 /nfs/dbraw/zinc/37/36/87/590373687.db2.gz WMVMVBKNYJDPNG-UHFFFAOYSA-N -1 3 245.304 0.309 20 0 BCADHM CCO[N-]C(=O)CN[C@H](C)[C@H]1CC1(F)F ZINC000877614039 590373834 /nfs/dbraw/zinc/37/38/34/590373834.db2.gz UDFMEKKWRDEFHW-RNFRBKRXSA-N -1 3 222.235 0.687 20 0 BCADHM Cc1cc([N-]C(=O)c2nnn(C)n2)sn1 ZINC000879067780 590691972 /nfs/dbraw/zinc/69/19/72/590691972.db2.gz MXSSPTCGWPVXCD-UHFFFAOYSA-N -1 3 224.249 0.227 20 0 BCADHM CSC(C)(C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000127995211 590865473 /nfs/dbraw/zinc/86/54/73/590865473.db2.gz FHCQAGHPZLTBKU-UHFFFAOYSA-N -1 3 249.361 0.830 20 0 BCADHM O=C(C[C@@H]1C[C@H]1C1CC1)[N-]c1nnc2[nH]cnn12 ZINC000880032613 590912482 /nfs/dbraw/zinc/91/24/82/590912482.db2.gz PJTKZSXWXBYCQH-YUMQZZPRSA-N -1 3 246.274 0.827 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CCC(C)(C)O ZINC000888817165 591052316 /nfs/dbraw/zinc/05/23/16/591052316.db2.gz YCBYBERNUNORFD-UHFFFAOYSA-N -1 3 247.291 0.539 20 0 BCADHM CC[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCOC1 ZINC000880470610 591052619 /nfs/dbraw/zinc/05/26/19/591052619.db2.gz PHUAHNJUACDLNT-RKDXNWHRSA-N -1 3 240.307 0.805 20 0 BCADHM O=c1[n-]c(CN[C@@H]2CCC[C@]23CCCO3)n[nH]1 ZINC000880506152 591078829 /nfs/dbraw/zinc/07/88/29/591078829.db2.gz PSZWUFNKPLNUHO-KCJUWKMLSA-N -1 3 238.291 0.702 20 0 BCADHM CN1CCCN(Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000211212070 591147899 /nfs/dbraw/zinc/14/78/99/591147899.db2.gz MBEZKDGJBPXBQE-UHFFFAOYSA-N -1 3 237.303 0.850 20 0 BCADHM COc1cc(NC([O-])=NOCC2CC2)n(C)n1 ZINC000881242707 591175689 /nfs/dbraw/zinc/17/56/89/591175689.db2.gz ZPIQLAVFYDRFSW-UHFFFAOYSA-N -1 3 240.263 0.892 20 0 BCADHM COc1cc(NC(=O)[N-]OCC2CC2)n(C)n1 ZINC000881242707 591175691 /nfs/dbraw/zinc/17/56/91/591175691.db2.gz ZPIQLAVFYDRFSW-UHFFFAOYSA-N -1 3 240.263 0.892 20 0 BCADHM Cc1nn(C)cc1CN1CC[C@H](C(=O)[O-])C1 ZINC000128982495 591199771 /nfs/dbraw/zinc/19/97/71/591199771.db2.gz RMBCLTJXFBLZSE-VIFPVBQESA-N -1 3 223.276 0.635 20 0 BCADHM O=C(NC[C@H]1C=CCC1)c1cc(=O)[n-]cn1 ZINC000881500520 591223395 /nfs/dbraw/zinc/22/33/95/591223395.db2.gz KXFHBPKIBGTYBH-QMMMGPOBSA-N -1 3 219.244 0.878 20 0 BCADHM Cc1noc([C@H](C)[N-]S(=O)(=O)C2CCC2)n1 ZINC000881850236 591274298 /nfs/dbraw/zinc/27/42/98/591274298.db2.gz ZHRWOVOINJOSBA-LURJTMIESA-N -1 3 245.304 0.911 20 0 BCADHM CCC[C@@H]([N-]S(=O)(=O)C1CCC1)C(=O)OC ZINC000882040628 591291015 /nfs/dbraw/zinc/29/10/15/591291015.db2.gz TVFHAAPKTQYTNF-SECBINFHSA-N -1 3 249.332 0.800 20 0 BCADHM CCOC(=O)/C=C/CSCCc1nnn[n-]1 ZINC000882188811 591313219 /nfs/dbraw/zinc/31/32/19/591313219.db2.gz UALBKPXCQZPXDI-ONEGZZNKSA-N -1 3 242.304 0.595 20 0 BCADHM CCOC(=O)/C=C/CSCCc1nn[n-]n1 ZINC000882188811 591313222 /nfs/dbraw/zinc/31/32/22/591313222.db2.gz UALBKPXCQZPXDI-ONEGZZNKSA-N -1 3 242.304 0.595 20 0 BCADHM CCOC(=O)/C=C\CSCCc1nnn[n-]1 ZINC000882188809 591313518 /nfs/dbraw/zinc/31/35/18/591313518.db2.gz UALBKPXCQZPXDI-ARJAWSKDSA-N -1 3 242.304 0.595 20 0 BCADHM CCOC(=O)/C=C\CSCCc1nn[n-]n1 ZINC000882188809 591313520 /nfs/dbraw/zinc/31/35/20/591313520.db2.gz UALBKPXCQZPXDI-ARJAWSKDSA-N -1 3 242.304 0.595 20 0 BCADHM Cc1nonc1CSCCc1nnn[n-]1 ZINC000882189577 591313622 /nfs/dbraw/zinc/31/36/22/591313622.db2.gz YZGLXHQJGRCMFV-UHFFFAOYSA-N -1 3 226.265 0.367 20 0 BCADHM Cc1nonc1CSCCc1nn[n-]n1 ZINC000882189577 591313624 /nfs/dbraw/zinc/31/36/24/591313624.db2.gz YZGLXHQJGRCMFV-UHFFFAOYSA-N -1 3 226.265 0.367 20 0 BCADHM COC(=O)/C(C)=C\CSCCc1nnn[n-]1 ZINC000882186631 591313688 /nfs/dbraw/zinc/31/36/88/591313688.db2.gz ADHFZYVYGIWEDC-CLTKARDFSA-N -1 3 242.304 0.595 20 0 BCADHM COC(=O)/C(C)=C\CSCCc1nn[n-]n1 ZINC000882186631 591313690 /nfs/dbraw/zinc/31/36/90/591313690.db2.gz ADHFZYVYGIWEDC-CLTKARDFSA-N -1 3 242.304 0.595 20 0 BCADHM Cc1ccc(NC(=O)Cn2c([O-])coc2=O)cc1 ZINC000882271787 591323407 /nfs/dbraw/zinc/32/34/07/591323407.db2.gz FLDJZHNDZWNOTD-UHFFFAOYSA-N -1 3 248.238 0.912 20 0 BCADHM C[C@H]1CCCN(C(=O)Cn2c([O-])coc2=O)C1 ZINC000882271975 591323572 /nfs/dbraw/zinc/32/35/72/591323572.db2.gz JPVIGDASXWFALW-QMMMGPOBSA-N -1 3 240.259 0.224 20 0 BCADHM O=C(Cn1c([O-])coc1=O)NC1CCCC1 ZINC000882272566 591323797 /nfs/dbraw/zinc/32/37/97/591323797.db2.gz SQVQWCYAVQXZFZ-UHFFFAOYSA-N -1 3 226.232 0.024 20 0 BCADHM CCCCc1nc(Cn2c([O-])coc2=O)no1 ZINC000882275056 591323801 /nfs/dbraw/zinc/32/38/01/591323801.db2.gz NBSJFLFLIRJTEI-UHFFFAOYSA-N -1 3 239.231 0.891 20 0 BCADHM Cc1cccc(Cn2c([O-])coc2=O)n1 ZINC000882275337 591324284 /nfs/dbraw/zinc/32/42/84/591324284.db2.gz GWCMTUWWNDYYRR-UHFFFAOYSA-N -1 3 206.201 0.869 20 0 BCADHM CC(C)(C)CC(=O)Cn1c([O-])coc1=O ZINC000882276680 591324832 /nfs/dbraw/zinc/32/48/32/591324832.db2.gz UGOAHPOAOSQPLX-UHFFFAOYSA-N -1 3 213.233 0.971 20 0 BCADHM CC1(C)OC[C@@H](Cn2c([O-])coc2=O)O1 ZINC000882276545 591325039 /nfs/dbraw/zinc/32/50/39/591325039.db2.gz KHEBKNOJCOPQRN-ZCFIWIBFSA-N -1 3 215.205 0.117 20 0 BCADHM COCCSCCCn1c([O-])coc1=O ZINC000882275800 591325125 /nfs/dbraw/zinc/32/51/25/591325125.db2.gz AYQADNIVNJXIMS-UHFFFAOYSA-N -1 3 233.289 0.735 20 0 BCADHM O=C1COC(=O)N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000882276970 591325580 /nfs/dbraw/zinc/32/55/80/591325580.db2.gz RSNWDHSZCIXJEK-UHFFFAOYSA-N -1 3 249.226 0.538 20 0 BCADHM C=C/C=C/CC[N-]S(=O)(=O)c1nncn1C ZINC000882585953 591394365 /nfs/dbraw/zinc/39/43/65/591394365.db2.gz BHOLAENDFKXZSL-SNAWJCMRSA-N -1 3 242.304 0.226 20 0 BCADHM CCCN(C)S(=O)(=O)[N-]c1ccc[n+]([O-])c1 ZINC000882760134 591431684 /nfs/dbraw/zinc/43/16/84/591431684.db2.gz VYOHSSBWSLKTEG-UHFFFAOYSA-N -1 3 245.304 0.319 20 0 BCADHM CCN1CC[C@H]1C[N-]S(=O)(=O)c1ccco1 ZINC000882764889 591433571 /nfs/dbraw/zinc/43/35/71/591433571.db2.gz IQUSYYXRDJKBHA-VIFPVBQESA-N -1 3 244.316 0.652 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CC=C[C@H]1CO ZINC000882977451 591490880 /nfs/dbraw/zinc/49/08/80/591490880.db2.gz IXSMWGQERWOBAJ-LURJTMIESA-N -1 3 227.651 0.573 20 0 BCADHM CN(C)c1n[nH]c(C[N-]C(=O)C(C)(F)F)n1 ZINC000883132457 591546563 /nfs/dbraw/zinc/54/65/63/591546563.db2.gz RNCRMGORNJWDRL-UHFFFAOYSA-N -1 3 233.222 0.142 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CO[C@@H](C)C2)n1 ZINC000132968569 591751225 /nfs/dbraw/zinc/75/12/25/591751225.db2.gz PZABVGQTQOVOPI-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CO[C@@H](C)C2)[n-]1 ZINC000132968569 591751220 /nfs/dbraw/zinc/75/12/20/591751220.db2.gz PZABVGQTQOVOPI-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CO[C@@H](C)C2)n[n-]1 ZINC000132968569 591751222 /nfs/dbraw/zinc/75/12/22/591751222.db2.gz PZABVGQTQOVOPI-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COC(=O)[C@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC000800208520 591839972 /nfs/dbraw/zinc/83/99/72/591839972.db2.gz MBIVYOQGWFJDQW-LURJTMIESA-N -1 3 249.226 0.676 20 0 BCADHM COC(=O)[C@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC000800208520 591839975 /nfs/dbraw/zinc/83/99/75/591839975.db2.gz MBIVYOQGWFJDQW-LURJTMIESA-N -1 3 249.226 0.676 20 0 BCADHM COC(=O)[C@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC000800208520 591839980 /nfs/dbraw/zinc/83/99/80/591839980.db2.gz MBIVYOQGWFJDQW-LURJTMIESA-N -1 3 249.226 0.676 20 0 BCADHM O=C(OC[C@@H]1CC[C@H](C2CC2)O1)c1cnn[n-]1 ZINC000884507391 591959864 /nfs/dbraw/zinc/95/98/64/591959864.db2.gz BPRHADPIQIQEAZ-WCBMZHEXSA-N -1 3 237.259 0.919 20 0 BCADHM O=C(OC[C@@H]1CC[C@H](C2CC2)O1)c1c[n-]nn1 ZINC000884507391 591959867 /nfs/dbraw/zinc/95/98/67/591959867.db2.gz BPRHADPIQIQEAZ-WCBMZHEXSA-N -1 3 237.259 0.919 20 0 BCADHM Cc1cccc(NC([O-])=NOCC(N)=O)c1 ZINC000135738949 592043527 /nfs/dbraw/zinc/04/35/27/592043527.db2.gz XYKHGFMXWVJZBO-UHFFFAOYSA-N -1 3 223.232 0.533 20 0 BCADHM Cc1cccc(NC(=O)[N-]OCC(N)=O)c1 ZINC000135738949 592043528 /nfs/dbraw/zinc/04/35/28/592043528.db2.gz XYKHGFMXWVJZBO-UHFFFAOYSA-N -1 3 223.232 0.533 20 0 BCADHM NC(=O)CON=C([O-])Nc1ccc(F)cc1F ZINC000135739683 592044075 /nfs/dbraw/zinc/04/40/75/592044075.db2.gz UCBXGUAFBWIYJC-UHFFFAOYSA-N -1 3 245.185 0.503 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccc(F)cc1F ZINC000135739683 592044077 /nfs/dbraw/zinc/04/40/77/592044077.db2.gz UCBXGUAFBWIYJC-UHFFFAOYSA-N -1 3 245.185 0.503 20 0 BCADHM COCCCCS(=O)(=O)[N-]C(CF)CF ZINC000885416421 592077078 /nfs/dbraw/zinc/07/70/78/592077078.db2.gz DSSZQDKXSMAPBJ-UHFFFAOYSA-N -1 3 245.291 0.640 20 0 BCADHM CCN(C)S(=O)(=O)[N-]C(CF)CF ZINC000885417934 592077548 /nfs/dbraw/zinc/07/75/48/592077548.db2.gz GDMAHRXFWHVKSP-UHFFFAOYSA-N -1 3 216.253 0.080 20 0 BCADHM CCCS(=O)(=O)[N-]C(CF)CF ZINC000885417068 592077672 /nfs/dbraw/zinc/07/76/72/592077672.db2.gz RNKPUUWJKGCEDR-UHFFFAOYSA-N -1 3 201.238 0.623 20 0 BCADHM CC(C)[C@H](C)NC(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000218292960 592153756 /nfs/dbraw/zinc/15/37/56/592153756.db2.gz JXCQRBAIMAMMJK-VHSXEESVSA-N -1 3 242.319 0.554 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000886271453 592192176 /nfs/dbraw/zinc/19/21/76/592192176.db2.gz JPWSMTWWKGRDCA-JLLWLGSASA-N -1 3 246.266 0.629 20 0 BCADHM C/C=C\[C@H](O)C(=O)NCc1cncc([O-])c1 ZINC000886272868 592192704 /nfs/dbraw/zinc/19/27/04/592192704.db2.gz FKHWQAKBMZSSKM-ZMWSMAPVSA-N -1 3 222.244 0.340 20 0 BCADHM Cc1ncc(C(=O)NCc2cncc([O-])c2)n1C ZINC000886272845 592193161 /nfs/dbraw/zinc/19/31/61/592193161.db2.gz DVKDDIFQHQOUCT-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CC[C@H](O)[C@@H](C)C(=O)NCc1cncc([O-])c1 ZINC000886273061 592194128 /nfs/dbraw/zinc/19/41/28/592194128.db2.gz KXQGEFDWGWKTTI-KCJUWKMLSA-N -1 3 238.287 0.810 20 0 BCADHM O=C(CCc1cn[nH]c1)NCc1cncc([O-])c1 ZINC000886275198 592194594 /nfs/dbraw/zinc/19/45/94/592194594.db2.gz QTYFVRHSSLBYKT-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM C[C@@](O)(C(=O)NCc1cncc([O-])c1)C1CC1 ZINC000886275000 592194744 /nfs/dbraw/zinc/19/47/44/592194744.db2.gz JTVUUJBADGXJGL-LBPRGKRZSA-N -1 3 236.271 0.564 20 0 BCADHM O=C(CC1(O)CCC1)NCc1cncc([O-])c1 ZINC000886275002 592195071 /nfs/dbraw/zinc/19/50/71/592195071.db2.gz JXMPRCGVUICYHG-UHFFFAOYSA-N -1 3 236.271 0.709 20 0 BCADHM CCN(CC(=O)NCc1cncc([O-])c1)C1CC1 ZINC000886278045 592197185 /nfs/dbraw/zinc/19/71/85/592197185.db2.gz LNAUWJWGSICPSO-UHFFFAOYSA-N -1 3 249.314 0.888 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@@H]1CCCOC1 ZINC000886279531 592198011 /nfs/dbraw/zinc/19/80/11/592198011.db2.gz APOOISKIOYHJSC-SNVBAGLBSA-N -1 3 236.271 0.830 20 0 BCADHM Cc1c(C(=O)NCc2cncc([O-])c2)nnn1C ZINC000886280175 592198154 /nfs/dbraw/zinc/19/81/54/592198154.db2.gz XLDAKJWXHIEPGK-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM CC[C@@H](OC)C(=O)NCc1cncc([O-])c1 ZINC000886279554 592198429 /nfs/dbraw/zinc/19/84/29/592198429.db2.gz BGJHCNGLMSVHMD-SNVBAGLBSA-N -1 3 224.260 0.828 20 0 BCADHM CCO[C@H](C)C(=O)NCc1cncc([O-])c1 ZINC000886281862 592198999 /nfs/dbraw/zinc/19/89/99/592198999.db2.gz NIHPUDUJNMQNME-MRVPVSSYSA-N -1 3 224.260 0.828 20 0 BCADHM CC(=O)CCC(=O)NCc1cncc([O-])c1 ZINC000886283272 592199484 /nfs/dbraw/zinc/19/94/84/592199484.db2.gz NRWIULZJKSJPAQ-UHFFFAOYSA-N -1 3 222.244 0.773 20 0 BCADHM CCn1cncc([N-]S(=O)(=O)CC)c1=O ZINC000886415943 592223796 /nfs/dbraw/zinc/22/37/96/592223796.db2.gz RSKDQVLBGNQVEX-UHFFFAOYSA-N -1 3 231.277 0.025 20 0 BCADHM CCC1(CC)CNC(=O)[C@H]1[N-]C(=O)C(F)F ZINC000886717247 592310775 /nfs/dbraw/zinc/31/07/75/592310775.db2.gz VMNURMRROJDZMI-ZCFIWIBFSA-N -1 3 234.246 0.673 20 0 BCADHM COCCNC(=O)c1ccc(N)cc1[O-] ZINC000220445356 592312195 /nfs/dbraw/zinc/31/21/95/592312195.db2.gz PZYBBCUANWFYMO-UHFFFAOYSA-N -1 3 210.233 0.351 20 0 BCADHM C[C@H](C(=O)NCCC(=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000221328570 592413706 /nfs/dbraw/zinc/41/37/06/592413706.db2.gz MQZIUPCUODGWSL-KXUCPTDWSA-N -1 3 242.319 0.839 20 0 BCADHM O=C(NC1([C@@H]2CCCCO2)CC1)c1c[n-]nn1 ZINC000887098381 592440270 /nfs/dbraw/zinc/44/02/70/592440270.db2.gz RHDVHHMTNUBYIP-VIFPVBQESA-N -1 3 236.275 0.636 20 0 BCADHM O=C(NC1([C@@H]2CCCCO2)CC1)c1cnn[n-]1 ZINC000887098381 592440272 /nfs/dbraw/zinc/44/02/72/592440272.db2.gz RHDVHHMTNUBYIP-VIFPVBQESA-N -1 3 236.275 0.636 20 0 BCADHM O=C(NC1([C@@H]2CCCCO2)CC1)c1cn[n-]n1 ZINC000887098381 592440276 /nfs/dbraw/zinc/44/02/76/592440276.db2.gz RHDVHHMTNUBYIP-VIFPVBQESA-N -1 3 236.275 0.636 20 0 BCADHM CN(CCCF)Cc1cc(=O)n2[n-]ccc2n1 ZINC000887141317 592456880 /nfs/dbraw/zinc/45/68/80/592456880.db2.gz NXPRRZVFOOBNSP-UHFFFAOYSA-N -1 3 238.266 0.814 20 0 BCADHM C[C@]1(NC(=O)c2cccc([O-])c2)CCNC1=O ZINC000889048021 592517357 /nfs/dbraw/zinc/51/73/57/592517357.db2.gz BPOYZDZVRRFILV-LBPRGKRZSA-N -1 3 234.255 0.401 20 0 BCADHM C[C@H]1CO[C@H](C(=O)[N-]C2=NCCS2)C1 ZINC000887914816 592558298 /nfs/dbraw/zinc/55/82/98/592558298.db2.gz RRDXEFXJSBDYCF-RQJHMYQMSA-N -1 3 214.290 0.630 20 0 BCADHM COC(=O)[C@@H]1CCN1C(=O)c1cccc([O-])c1 ZINC000888044529 592568513 /nfs/dbraw/zinc/56/85/13/592568513.db2.gz WFXJAYWLOFVEQU-JTQLQIEISA-N -1 3 235.239 0.780 20 0 BCADHM Cn1nnc([N-]C(=O)c2coc(C3CCC3)n2)n1 ZINC000889628716 592634446 /nfs/dbraw/zinc/63/44/46/592634446.db2.gz RLVRVQKTYBLDSP-UHFFFAOYSA-N -1 3 248.246 0.718 20 0 BCADHM Cn1nnc([N-]C(=O)c2coc(C3CC3)n2)n1 ZINC000889629268 592634896 /nfs/dbraw/zinc/63/48/96/592634896.db2.gz VKDQPEOISWBSKD-UHFFFAOYSA-N -1 3 234.219 0.328 20 0 BCADHM Cc1nscc1C(=O)[N-]c1nnn(C)n1 ZINC000889629161 592634979 /nfs/dbraw/zinc/63/49/79/592634979.db2.gz RFVNDVFGPVUZJT-UHFFFAOYSA-N -1 3 224.249 0.227 20 0 BCADHM CCNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739460263 602046953 /nfs/dbraw/zinc/04/69/53/602046953.db2.gz HXTNCSPRDTYGEU-BDAKNGLRSA-N -1 3 243.307 0.243 20 0 BCADHM C/C=C(\C)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000309688805 596920819 /nfs/dbraw/zinc/92/08/19/596920819.db2.gz OXSNLOXHCGGWOP-WEVVVXLNSA-N -1 3 228.292 0.427 20 0 BCADHM CCOCCN1CCN(CCC(=O)[O-])CC1 ZINC000035687138 596981026 /nfs/dbraw/zinc/98/10/26/596981026.db2.gz FVXLQYPXUJDDPP-UHFFFAOYSA-N -1 3 230.308 0.115 20 0 BCADHM CC(C)CNC(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000037933125 596998393 /nfs/dbraw/zinc/99/83/93/596998393.db2.gz SMXAZHOAPAEQEO-SECBINFHSA-N -1 3 230.308 0.554 20 0 BCADHM CCCN(C)CC(=O)N(C)CCC(=O)[O-] ZINC000308857169 597008636 /nfs/dbraw/zinc/00/86/36/597008636.db2.gz QGYZJRBIMBADTP-UHFFFAOYSA-N -1 3 216.281 0.261 20 0 BCADHM O=C([O-])C[C@@H]1CCCN(CC(=O)NC2CC2)C1 ZINC000054299861 597081684 /nfs/dbraw/zinc/08/16/84/597081684.db2.gz SLWGZSGXIRSYHP-VIFPVBQESA-N -1 3 240.303 0.452 20 0 BCADHM CN1CCC(NC(=S)NCCC(=O)[O-])CC1 ZINC000739727850 597109805 /nfs/dbraw/zinc/10/98/05/597109805.db2.gz LCFBFMZBHCJXEW-UHFFFAOYSA-N -1 3 245.348 0.019 20 0 BCADHM CCNC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000054299812 597103254 /nfs/dbraw/zinc/10/32/54/597103254.db2.gz SBOMUPVDKVJEDN-VIFPVBQESA-N -1 3 228.292 0.309 20 0 BCADHM O=C([O-])[C@H]1CN(CC2(O)CCCC2)CCO1 ZINC000083587450 597350929 /nfs/dbraw/zinc/35/09/29/597350929.db2.gz PKFOPLLZPTUUOW-SECBINFHSA-N -1 3 229.276 0.077 20 0 BCADHM C[C@H](C(=O)N1CCCCC1)N(C)CCC(=O)[O-] ZINC000037933178 597351546 /nfs/dbraw/zinc/35/15/46/597351546.db2.gz LBATUJJGPQYTQN-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM OC1CN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000095141152 599263641 /nfs/dbraw/zinc/26/36/41/599263641.db2.gz PNKZPFYWPYXCGJ-UHFFFAOYSA-N -1 3 235.222 0.187 20 0 BCADHM CN1CCC[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000257684919 597497259 /nfs/dbraw/zinc/49/72/59/597497259.db2.gz KLSWANIDCXGZGY-IUCAKERBSA-N -1 3 226.276 0.014 20 0 BCADHM Cc1cnc(CN2CC[C@H](C(=O)[O-])C2)cn1 ZINC000381472103 597528615 /nfs/dbraw/zinc/52/86/15/597528615.db2.gz MZTVLMRPZDNEMK-VIFPVBQESA-N -1 3 221.260 0.692 20 0 BCADHM CC(C)N(CC(=O)NCC(=O)[O-])C1CC1 ZINC000309671280 597769715 /nfs/dbraw/zinc/76/97/15/597769715.db2.gz JXGVIJBQDMBHKI-UHFFFAOYSA-N -1 3 214.265 0.060 20 0 BCADHM CN(CCCCC(=O)[O-])CC(=O)NC1CC1 ZINC000042691640 597767657 /nfs/dbraw/zinc/76/76/57/597767657.db2.gz FOXXGZDBAZLYMG-UHFFFAOYSA-N -1 3 228.292 0.452 20 0 BCADHM CC(C)C[C@H](NCc1cc[nH]n1)C(=O)[O-] ZINC000043433491 598208813 /nfs/dbraw/zinc/20/88/13/598208813.db2.gz SZYDITDWFYUNCO-VIFPVBQESA-N -1 3 211.265 0.999 20 0 BCADHM COCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000095295043 599304800 /nfs/dbraw/zinc/30/48/00/599304800.db2.gz YWJNUAHGMJGUAW-UHFFFAOYSA-N -1 3 247.258 0.476 20 0 BCADHM COCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095295043 599304802 /nfs/dbraw/zinc/30/48/02/599304802.db2.gz YWJNUAHGMJGUAW-UHFFFAOYSA-N -1 3 247.258 0.476 20 0 BCADHM O=C([O-])c1occc1CN1CC[C@@H](O)C1 ZINC000061710740 599722181 /nfs/dbraw/zinc/72/21/81/599722181.db2.gz OWRPHTIQYWORRQ-MRVPVSSYSA-N -1 3 211.217 0.544 20 0 BCADHM CCN(CC)CC(=O)NC[C@@H](C)C(=O)[O-] ZINC000737085513 599782349 /nfs/dbraw/zinc/78/23/49/599782349.db2.gz NGLMWDTZDYPAKI-MRVPVSSYSA-N -1 3 216.281 0.165 20 0 BCADHM O=C([O-])c1ccc(CN2CCC[C@@H]2CO)o1 ZINC000042433046 599813480 /nfs/dbraw/zinc/81/34/80/599813480.db2.gz YDNDJOSUDSKCNH-MRVPVSSYSA-N -1 3 225.244 0.935 20 0 BCADHM NC(=O)[C@@H]1CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000236275214 599848092 /nfs/dbraw/zinc/84/80/92/599848092.db2.gz WKDUHBGWAANEQR-SSDOTTSWSA-N -1 3 238.243 0.285 20 0 BCADHM Cc1nn(C)c(C)c1CN(C)CCC(=O)[O-] ZINC000082784339 599888478 /nfs/dbraw/zinc/88/84/78/599888478.db2.gz OVTJUBMZEMWRMG-UHFFFAOYSA-N -1 3 225.292 0.943 20 0 BCADHM C[C@H](C(=O)[O-])N1CCc2cncnc2C1 ZINC000309406609 599920250 /nfs/dbraw/zinc/92/02/50/599920250.db2.gz XGBPZZDOICVVMQ-SSDOTTSWSA-N -1 3 207.233 0.308 20 0 BCADHM C[C@@H](C(=O)NC1CC1)N1CCC(C(=O)[O-])CC1 ZINC000035083853 599966252 /nfs/dbraw/zinc/96/62/52/599966252.db2.gz ZUXPRXRLFMRDJO-QMMMGPOBSA-N -1 3 240.303 0.450 20 0 BCADHM O=C([O-])CNC(=O)CN1CCC[C@H]1C1CC1 ZINC000739808276 600003745 /nfs/dbraw/zinc/00/37/45/600003745.db2.gz COCUEKWLCQOVBQ-VIFPVBQESA-N -1 3 226.276 0.062 20 0 BCADHM CC(C)N(C)CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000381452610 600069676 /nfs/dbraw/zinc/06/96/76/600069676.db2.gz HGJTXSAGTWZVFV-VIFPVBQESA-N -1 3 228.292 0.402 20 0 BCADHM CCN1CCCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000307800984 600162596 /nfs/dbraw/zinc/16/25/96/600162596.db2.gz AWHYVKVMLOLYIN-VHSXEESVSA-N -1 3 240.303 0.261 20 0 BCADHM CC[C@H]1CN(CCCC(=O)[O-])CCO1 ZINC000036770266 600224070 /nfs/dbraw/zinc/22/40/70/600224070.db2.gz DFQUIWNNNHTIDC-VIFPVBQESA-N -1 3 201.266 0.962 20 0 BCADHM COCCN1CCN(CCCC(=O)[O-])CC1 ZINC000098125179 600224346 /nfs/dbraw/zinc/22/43/46/600224346.db2.gz KCEYOAVHPMXKQA-UHFFFAOYSA-N -1 3 230.308 0.115 20 0 BCADHM C[C@H](CN(C)[C@@H](C)C(=O)NC(C)(C)C)C(=O)[O-] ZINC000042706190 600366878 /nfs/dbraw/zinc/36/68/78/600366878.db2.gz MSWMBBUBJRYENC-BDAKNGLRSA-N -1 3 244.335 0.942 20 0 BCADHM CC[C@H](C)NC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000251842263 600373524 /nfs/dbraw/zinc/37/35/24/600373524.db2.gz LPXCJUSUABADNL-LPEHRKFASA-N -1 3 244.335 0.942 20 0 BCADHM C[C@@H]1CN(C[C@](C)(O)C(=O)[O-])CC(C)(C)O1 ZINC000070714602 600762428 /nfs/dbraw/zinc/76/24/28/600762428.db2.gz DUNOESRNURCPQT-KCJUWKMLSA-N -1 3 231.292 0.321 20 0 BCADHM C[C@](O)(CN1CCc2sccc2C1)C(=O)[O-] ZINC000070714057 600760722 /nfs/dbraw/zinc/76/07/22/600760722.db2.gz DWIWKEZFEQJBQC-NSHDSACASA-N -1 3 241.312 0.942 20 0 BCADHM O=C([O-])[C@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000035297120 600842643 /nfs/dbraw/zinc/84/26/43/600842643.db2.gz BTYWWHUJFDNPMZ-VIFPVBQESA-N -1 3 226.276 0.015 20 0 BCADHM Cn1cnnc1CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000050422531 601171371 /nfs/dbraw/zinc/17/13/71/601171371.db2.gz XADSHGIDGBQCCS-SNVBAGLBSA-N -1 3 224.264 0.158 20 0 BCADHM Cn1ccnc1CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000686008300 601171599 /nfs/dbraw/zinc/17/15/99/601171599.db2.gz VKBHWPQKFXMDLZ-LLVKDONJSA-N -1 3 223.276 0.763 20 0 BCADHM C[C@H](CN(C)Cc1cncn1C)C(=O)[O-] ZINC000085182695 601317118 /nfs/dbraw/zinc/31/71/18/601317118.db2.gz XGQLRMYDDMEFIL-MRVPVSSYSA-N -1 3 211.265 0.573 20 0 BCADHM CC(C)N1CC[C@H](N(C)C[C@H](C)C(=O)[O-])C1=O ZINC000694725283 601353885 /nfs/dbraw/zinc/35/38/85/601353885.db2.gz PKDJUBOBYFOKOD-UWVGGRQHSA-N -1 3 242.319 0.648 20 0 BCADHM CN(CCCC(=O)[O-])Cc1cnccn1 ZINC000389991970 601420086 /nfs/dbraw/zinc/42/00/86/601420086.db2.gz OSTYYXLDGSBYMT-UHFFFAOYSA-N -1 3 209.249 0.773 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H]1C ZINC000381204684 601538092 /nfs/dbraw/zinc/53/80/92/601538092.db2.gz FXCOHHYZWFWDPO-SFYZADRCSA-N -1 3 214.265 0.060 20 0 BCADHM CC(C)[C@@H](C(=O)NCCCC(=O)[O-])N(C)C ZINC000309709527 601613026 /nfs/dbraw/zinc/61/30/26/601613026.db2.gz WOCINFHWUHXUEK-JTQLQIEISA-N -1 3 230.308 0.554 20 0 BCADHM COCCN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739835012 601970169 /nfs/dbraw/zinc/97/01/69/601970169.db2.gz RZUWNKJLLTULBI-SECBINFHSA-N -1 3 216.281 0.707 20 0 BCADHM CC(=O)N1CCN(CCCC(=O)[O-])[C@@H](C)C1 ZINC000309523043 602019472 /nfs/dbraw/zinc/01/94/72/602019472.db2.gz AQVXQMBNZRMAGR-VIFPVBQESA-N -1 3 228.292 0.404 20 0 BCADHM Cn1nccc1CNC[C@@H]1CCCN1C(=O)[O-] ZINC000740305873 602049493 /nfs/dbraw/zinc/04/94/93/602049493.db2.gz ZWWOKABGSLVWEK-JTQLQIEISA-N -1 3 238.291 0.652 20 0 BCADHM O=C([O-])N1CCC(CNCc2cc[nH]n2)CC1 ZINC000740495709 602055698 /nfs/dbraw/zinc/05/56/98/602055698.db2.gz CQKHRSDHZYJEHY-UHFFFAOYSA-N -1 3 238.291 0.889 20 0 BCADHM CN(CCNCc1cncn1C)C(=O)[O-] ZINC000739700721 602055725 /nfs/dbraw/zinc/05/57/25/602055725.db2.gz HESQRYQHRVHNEE-UHFFFAOYSA-N -1 3 212.253 0.120 20 0 BCADHM CC[C@H](C(=O)NCCCCC(=O)[O-])N(C)C ZINC000820261148 602147296 /nfs/dbraw/zinc/14/72/96/602147296.db2.gz DYMACGDIPVMKDR-SECBINFHSA-N -1 3 230.308 0.698 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N[C@@H]1CCCN(C)C1 ZINC000258629450 602150027 /nfs/dbraw/zinc/15/00/27/602150027.db2.gz CWKQPCIIHGDJFX-DTWKUNHWSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000258648717 602170461 /nfs/dbraw/zinc/17/04/61/602170461.db2.gz FVAXHQYXAMDWFG-VHSXEESVSA-N -1 3 242.319 0.650 20 0 BCADHM CCN1CCCN(C(=O)CN(C)C(=O)[O-])CC1 ZINC000739456019 602196085 /nfs/dbraw/zinc/19/60/85/602196085.db2.gz VEBXAWGTUFHXFH-UHFFFAOYSA-N -1 3 243.307 0.150 20 0 BCADHM Cc1ncc(CNCCN(C)C(=O)[O-])cn1 ZINC000740234033 602294484 /nfs/dbraw/zinc/29/44/84/602294484.db2.gz ZFATXFQCYGGUIS-UHFFFAOYSA-N -1 3 224.264 0.484 20 0 BCADHM CN(CCNCc1cnc2ccnn2c1)C(=O)[O-] ZINC000739701617 602294742 /nfs/dbraw/zinc/29/47/42/602294742.db2.gz VVMIDJYBAYOKEV-UHFFFAOYSA-N -1 3 249.274 0.429 20 0 BCADHM CS(=O)(=O)CCN(CC(=O)[O-])C1CCCC1 ZINC000037744179 602332928 /nfs/dbraw/zinc/33/29/28/602332928.db2.gz MWKHHXVWCBKXPZ-UHFFFAOYSA-N -1 3 249.332 0.360 20 0 BCADHM Cc1cnn(CCN(C)[C@H](C)CNC(=O)[O-])c1 ZINC000740201891 602559175 /nfs/dbraw/zinc/55/91/75/602559175.db2.gz ZYDRWDYSFAVSOT-SNVBAGLBSA-N -1 3 240.307 0.779 20 0 BCADHM C[C@H](CCNCc1nccn1C)NC(=O)[O-] ZINC000738907382 602650016 /nfs/dbraw/zinc/65/00/16/602650016.db2.gz SHUFBBWBSDLKHJ-MRVPVSSYSA-N -1 3 226.280 0.556 20 0 BCADHM O=C([O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000739935838 602670044 /nfs/dbraw/zinc/67/00/44/602670044.db2.gz CCXDJQXGKOKGGB-JGVFFNPUSA-N -1 3 200.238 0.117 20 0 BCADHM CC(C)[C@@H](CNCc1cnn(C)c1)NC(=O)[O-] ZINC000738795290 602790434 /nfs/dbraw/zinc/79/04/34/602790434.db2.gz VTCMWBMNLCDYNE-SNVBAGLBSA-N -1 3 240.307 0.802 20 0 BCADHM C[C@H]1CN(CC(C)(C)O)C[C@H](C)N1C(=O)[O-] ZINC000739177143 602830807 /nfs/dbraw/zinc/83/08/07/602830807.db2.gz GGBZGVZVNBHSPF-IUCAKERBSA-N -1 3 230.308 0.830 20 0 BCADHM O=C([O-])N1CC[C@@H](NCc2ccncc2)C1 ZINC000740506140 602880114 /nfs/dbraw/zinc/88/01/14/602880114.db2.gz WJMYTBOQLVTELI-SNVBAGLBSA-N -1 3 221.260 0.924 20 0 BCADHM O=C([O-])NCCN[C@H](CO)c1ccc(F)cc1 ZINC000740658702 602930013 /nfs/dbraw/zinc/93/00/13/602930013.db2.gz KGZJDOHYRMPNBI-SNVBAGLBSA-N -1 3 242.250 0.716 20 0 BCADHM CCCN(C)CC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000739343708 603028201 /nfs/dbraw/zinc/02/82/01/603028201.db2.gz FLZXYCFOBRNBGS-VIFPVBQESA-N -1 3 245.323 0.443 20 0 BCADHM Cn1cncc1CN[C@@H](CNC(=O)[O-])C1CC1 ZINC000740294054 603071584 /nfs/dbraw/zinc/07/15/84/603071584.db2.gz IPTNMMLRUQTWGD-JTQLQIEISA-N -1 3 238.291 0.556 20 0 BCADHM CN(CCNC(=O)[O-])C[C@H]1CCCCO1 ZINC000739697660 603083351 /nfs/dbraw/zinc/08/33/51/603083351.db2.gz ODYQUTPYEBMJBD-SECBINFHSA-N -1 3 216.281 0.755 20 0 BCADHM CC(C)N(C)CC(=O)N(C)CCCNC(=O)[O-] ZINC000738834803 603237719 /nfs/dbraw/zinc/23/77/19/603237719.db2.gz NAYDPPZBIDCWFJ-UHFFFAOYSA-N -1 3 245.323 0.443 20 0 BCADHM Cc1n[nH]cc1CN[C@H]1CCCN(C(=O)[O-])C1 ZINC000740209429 603245626 /nfs/dbraw/zinc/24/56/26/603245626.db2.gz SRQJXTDHKYXMQR-JTQLQIEISA-N -1 3 238.291 0.950 20 0 BCADHM CCN(CC(=O)NC)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739389784 603345981 /nfs/dbraw/zinc/34/59/81/603345981.db2.gz NYZCAZMCEWWROC-VIFPVBQESA-N -1 3 243.307 0.054 20 0 BCADHM C[C@H]1CN(C[C@H]2CCOC2)CCN1C(=O)[O-] ZINC000739181059 603366269 /nfs/dbraw/zinc/36/62/69/603366269.db2.gz QVOXMNNUNFONLH-VHSXEESVSA-N -1 3 228.292 0.707 20 0 BCADHM O=C([O-])N[C@@H]1CCN(C[C@H]2CCCO2)C1 ZINC000740595335 604369825 /nfs/dbraw/zinc/36/98/25/604369825.db2.gz TZLMBCRXBFAOIB-RKDXNWHRSA-N -1 3 214.265 0.507 20 0 BCADHM O=C([O-])C1CCN([C@@H]2CCCNC2=O)CC1 ZINC000691471485 604454047 /nfs/dbraw/zinc/45/40/47/604454047.db2.gz XTEMFMBBXLVAAF-SECBINFHSA-N -1 3 226.276 0.062 20 0 BCADHM O=C([O-])CC1CCN([C@@H]2CCCNC2=O)CC1 ZINC000691550730 604459118 /nfs/dbraw/zinc/45/91/18/604459118.db2.gz RSDMRHSBLOTPIK-SNVBAGLBSA-N -1 3 240.303 0.452 20 0 BCADHM C[C@]1(C(=O)[O-])CCN(Cc2cncnc2)C1 ZINC000394100988 604673350 /nfs/dbraw/zinc/67/33/50/604673350.db2.gz CCCGYUVPTOVBMB-NSHDSACASA-N -1 3 221.260 0.773 20 0 BCADHM Cc1cc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)nn1C ZINC000688129036 604674242 /nfs/dbraw/zinc/67/42/42/604674242.db2.gz YKFVESRVRBHKBO-KCJUWKMLSA-N -1 3 237.303 0.881 20 0 BCADHM Cc1cc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)nn1C ZINC000688129039 604674326 /nfs/dbraw/zinc/67/43/26/604674326.db2.gz YKFVESRVRBHKBO-KWQFWETISA-N -1 3 237.303 0.881 20 0 BCADHM C[C@@H]1C[C@H](O)CN1Cc1ccoc1C(=O)[O-] ZINC000385017343 604936025 /nfs/dbraw/zinc/93/60/25/604936025.db2.gz TXGZMDNNVMITEB-APPZFPTMSA-N -1 3 225.244 0.933 20 0 BCADHM C[C@H]1CN([C@H](C(=O)[O-])c2cccnc2)CCN1C ZINC000107913946 604929930 /nfs/dbraw/zinc/92/99/30/604929930.db2.gz MYJZLGHGLWDPQU-JQWIXIFHSA-N -1 3 249.314 0.843 20 0 BCADHM C[C@@H]1C[C@H](O)CN1Cc1ccc(C(=O)[O-])o1 ZINC000385017581 604933849 /nfs/dbraw/zinc/93/38/49/604933849.db2.gz UDCPOKBMXWYXEZ-SFYZADRCSA-N -1 3 225.244 0.933 20 0 BCADHM C[C@H]1C[C@@H](O)CN1Cc1occc1C(=O)[O-] ZINC000385017622 604936016 /nfs/dbraw/zinc/93/60/16/604936016.db2.gz UDTOELMIBRFAQT-JGVFFNPUSA-N -1 3 225.244 0.933 20 0 BCADHM CCC[C@H](C(=O)N[C@@H](C)C(=O)[O-])N(C)C ZINC000820304717 605144777 /nfs/dbraw/zinc/14/47/77/605144777.db2.gz WRDIRWAAWSIYOB-JGVFFNPUSA-N -1 3 216.281 0.306 20 0 BCADHM CC(C)CN1CCN(C[C@@](C)(O)C(=O)[O-])CC1 ZINC000080211415 605496454 /nfs/dbraw/zinc/49/64/54/605496454.db2.gz KBAUDNZZYQZILT-GFCCVEGCSA-N -1 3 244.335 0.096 20 0 BCADHM O=C([O-])N[C@H]1CCN(CCc2ccncc2)C1 ZINC000740595153 605914305 /nfs/dbraw/zinc/91/43/05/605914305.db2.gz CSYZXFLAHDPBEW-NSHDSACASA-N -1 3 235.287 0.966 20 0 BCADHM Cc1nn(C)cc1CN[C@H]1CCN(C(=O)[O-])C1 ZINC000833919961 606072299 /nfs/dbraw/zinc/07/22/99/606072299.db2.gz RIJVLCQFKOSWOO-JTQLQIEISA-N -1 3 238.291 0.570 20 0 BCADHM O=C(NCC1CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823175283 606251678 /nfs/dbraw/zinc/25/16/78/606251678.db2.gz DUECIRLFABCBSM-UHFFFAOYSA-N -1 3 232.247 0.335 20 0 BCADHM O=C(NCC1CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823175283 606251680 /nfs/dbraw/zinc/25/16/80/606251680.db2.gz DUECIRLFABCBSM-UHFFFAOYSA-N -1 3 232.247 0.335 20 0 BCADHM CC(C)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820138576 606273391 /nfs/dbraw/zinc/27/33/91/606273391.db2.gz YHXCCGFBXMPFNY-UHFFFAOYSA-N -1 3 234.263 0.343 20 0 BCADHM CC(C)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820138576 606273393 /nfs/dbraw/zinc/27/33/93/606273393.db2.gz YHXCCGFBXMPFNY-UHFFFAOYSA-N -1 3 234.263 0.343 20 0 BCADHM CN[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000095189554 606299616 /nfs/dbraw/zinc/29/96/16/606299616.db2.gz ADVRYKVVIQEUAQ-VIFPVBQESA-N -1 3 247.258 0.300 20 0 BCADHM CN[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000095189554 606299617 /nfs/dbraw/zinc/29/96/17/606299617.db2.gz ADVRYKVVIQEUAQ-VIFPVBQESA-N -1 3 247.258 0.300 20 0 BCADHM OCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000095154699 606638229 /nfs/dbraw/zinc/63/82/29/606638229.db2.gz PRRMOPNTDGBBAB-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM OCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000095154699 606638230 /nfs/dbraw/zinc/63/82/30/606638230.db2.gz PRRMOPNTDGBBAB-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM OCCNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000095142611 606638247 /nfs/dbraw/zinc/63/82/47/606638247.db2.gz KZOFJPTWSDINRP-UHFFFAOYSA-N -1 3 223.211 0.410 20 0 BCADHM OCCNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000095142611 606638248 /nfs/dbraw/zinc/63/82/48/606638248.db2.gz KZOFJPTWSDINRP-UHFFFAOYSA-N -1 3 223.211 0.410 20 0 BCADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC[C@@H](C)O)n1 ZINC000095211341 608551132 /nfs/dbraw/zinc/55/11/32/608551132.db2.gz LHCWSNMKWNKAMN-MRVPVSSYSA-N -1 3 248.290 0.671 20 0 BCADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC[C@@H](C)O)n1 ZINC000095211341 608551134 /nfs/dbraw/zinc/55/11/34/608551134.db2.gz LHCWSNMKWNKAMN-MRVPVSSYSA-N -1 3 248.290 0.671 20 0 BCADHM O=C(CNc1cc(=O)[n-]cn1)N1CCCCC1 ZINC000162771986 635428625 /nfs/dbraw/zinc/42/86/25/635428625.db2.gz LJBKLYSOMROOBQ-UHFFFAOYSA-N -1 3 236.275 0.194 20 0 BCADHM CN(C)CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000095318960 635447315 /nfs/dbraw/zinc/44/73/15/635447315.db2.gz XOJOUKHIQSPNET-UHFFFAOYSA-N -1 3 246.274 0.367 20 0 BCADHM CN(C)CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000095318960 635447319 /nfs/dbraw/zinc/44/73/19/635447319.db2.gz XOJOUKHIQSPNET-UHFFFAOYSA-N -1 3 246.274 0.367 20 0 BCADHM CCOc1nnc(NC(=O)C2=COCCO2)[n-]1 ZINC000228767592 635464624 /nfs/dbraw/zinc/46/46/24/635464624.db2.gz QGAWIKUCNYRDSO-UHFFFAOYSA-N -1 3 240.219 0.030 20 0 BCADHM CCOc1nc(NC(=O)C2=COCCO2)n[n-]1 ZINC000228767592 635464628 /nfs/dbraw/zinc/46/46/28/635464628.db2.gz QGAWIKUCNYRDSO-UHFFFAOYSA-N -1 3 240.219 0.030 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2=COCCO2)n1 ZINC000228767592 635464638 /nfs/dbraw/zinc/46/46/38/635464638.db2.gz QGAWIKUCNYRDSO-UHFFFAOYSA-N -1 3 240.219 0.030 20 0 BCADHM O=C([N-]CCN1CCCC1)C(F)(F)F ZINC000078770969 631349362 /nfs/dbraw/zinc/34/93/62/631349362.db2.gz DWNGVPXXKQBDLY-UHFFFAOYSA-N -1 3 210.199 0.761 20 0 BCADHM COc1ncc(S(=O)(=O)[N-]C(C)C)s1 ZINC000308541606 631421440 /nfs/dbraw/zinc/42/14/40/631421440.db2.gz UKXYZUCZGIOWRT-UHFFFAOYSA-N -1 3 236.318 0.838 20 0 BCADHM O=C1CN(Cc2ccc([O-])c(F)c2)CCCN1 ZINC000891809117 631496391 /nfs/dbraw/zinc/49/63/91/631496391.db2.gz KVMHQTCSLXMPPY-UHFFFAOYSA-N -1 3 238.262 0.853 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC[C@@H]2CO)n1 ZINC000934017344 631614613 /nfs/dbraw/zinc/61/46/13/631614613.db2.gz NVVNJVASQLIOOP-SECBINFHSA-N -1 3 223.276 0.311 20 0 BCADHM COCC[C@@H](COC)Nc1cc(=O)[n-]cn1 ZINC000309281835 631993481 /nfs/dbraw/zinc/99/34/81/631993481.db2.gz FTEAUCSIVKIORG-QMMMGPOBSA-N -1 3 227.264 0.646 20 0 BCADHM O=c1cc(N[C@H](CO)[C@H]2CCCOC2)nc[n-]1 ZINC000894203172 635747609 /nfs/dbraw/zinc/74/76/09/635747609.db2.gz DEIMYSNDBCIVDH-DTWKUNHWSA-N -1 3 239.275 0.382 20 0 BCADHM COc1nnc(NC(=O)C2(n3cccn3)CC2)[n-]1 ZINC000935193906 632501835 /nfs/dbraw/zinc/50/18/35/632501835.db2.gz YUASBMCXSIFODI-UHFFFAOYSA-N -1 3 248.246 0.138 20 0 BCADHM COc1nc(NC(=O)C2(n3cccn3)CC2)n[n-]1 ZINC000935193906 632501843 /nfs/dbraw/zinc/50/18/43/632501843.db2.gz YUASBMCXSIFODI-UHFFFAOYSA-N -1 3 248.246 0.138 20 0 BCADHM COc1n[n-]c(NC(=O)C2(n3cccn3)CC2)n1 ZINC000935193906 632501851 /nfs/dbraw/zinc/50/18/51/632501851.db2.gz YUASBMCXSIFODI-UHFFFAOYSA-N -1 3 248.246 0.138 20 0 BCADHM CCOCCC(=O)Nc1nnc(OCC)[n-]1 ZINC000162069560 632507648 /nfs/dbraw/zinc/50/76/48/632507648.db2.gz BRXPCKOMMTWISD-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM CCOCCC(=O)Nc1n[n-]c(OCC)n1 ZINC000162069560 632507660 /nfs/dbraw/zinc/50/76/60/632507660.db2.gz BRXPCKOMMTWISD-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM CCOCCC(=O)Nc1nc(OCC)n[n-]1 ZINC000162069560 632507670 /nfs/dbraw/zinc/50/76/70/632507670.db2.gz BRXPCKOMMTWISD-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM C[C@@H](Nc1cc(=O)[n-]cn1)C1CCOCC1 ZINC000235211925 632539197 /nfs/dbraw/zinc/53/91/97/632539197.db2.gz NDIHDTLVYIGYKP-MRVPVSSYSA-N -1 3 223.276 0.997 20 0 BCADHM C=CC(=O)NCCNC(=O)c1ccc(C)cc1[O-] ZINC000179556642 632746439 /nfs/dbraw/zinc/74/64/39/632746439.db2.gz MVCKZPNFPFRCDV-UHFFFAOYSA-N -1 3 248.282 0.733 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2C[C@@H]2C)[n-]1 ZINC000162052120 632866319 /nfs/dbraw/zinc/86/63/19/632866319.db2.gz BSNZSCZBKSTDGP-WDSKDSINSA-N -1 3 210.237 0.798 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2C[C@@H]2C)n[n-]1 ZINC000162052120 632866321 /nfs/dbraw/zinc/86/63/21/632866321.db2.gz BSNZSCZBKSTDGP-WDSKDSINSA-N -1 3 210.237 0.798 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2C[C@@H]2C)n1 ZINC000162052120 632866324 /nfs/dbraw/zinc/86/63/24/632866324.db2.gz BSNZSCZBKSTDGP-WDSKDSINSA-N -1 3 210.237 0.798 20 0 BCADHM Cc1cc(=O)[n-]c(CNc2nnc(C)c(C)n2)n1 ZINC000894378398 635871471 /nfs/dbraw/zinc/87/14/71/635871471.db2.gz WZHJZYKQYYATCK-UHFFFAOYSA-N -1 3 246.274 0.905 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CCOC2)n1 ZINC000162056345 633017518 /nfs/dbraw/zinc/01/75/18/633017518.db2.gz KYOSNPUGQAYIJW-ZCFIWIBFSA-N -1 3 226.236 0.178 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CCOC2)[n-]1 ZINC000162056345 633017506 /nfs/dbraw/zinc/01/75/06/633017506.db2.gz KYOSNPUGQAYIJW-ZCFIWIBFSA-N -1 3 226.236 0.178 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CCOC2)n[n-]1 ZINC000162056345 633017511 /nfs/dbraw/zinc/01/75/11/633017511.db2.gz KYOSNPUGQAYIJW-ZCFIWIBFSA-N -1 3 226.236 0.178 20 0 BCADHM O=C(CCCn1cncn1)Nc1ncccc1[O-] ZINC000048608825 635875660 /nfs/dbraw/zinc/87/56/60/635875660.db2.gz PDGKNZDICJYRGE-UHFFFAOYSA-N -1 3 247.258 0.798 20 0 BCADHM COC(C)(C)[C@@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000928588809 636127307 /nfs/dbraw/zinc/12/73/07/636127307.db2.gz KGNHLHZWLLRDKP-SSDOTTSWSA-N -1 3 239.275 0.726 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1cc(F)ccc1F ZINC000180594826 633896589 /nfs/dbraw/zinc/89/65/89/633896589.db2.gz KZPWHFYONJKTGD-UHFFFAOYSA-N -1 3 245.185 0.503 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000725897960 634096154 /nfs/dbraw/zinc/09/61/54/634096154.db2.gz JFGLNVLNFCSGPT-UWVGGRQHSA-N -1 3 228.292 0.655 20 0 BCADHM CCN(CC)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000188317707 634138973 /nfs/dbraw/zinc/13/89/73/634138973.db2.gz IZWLHLDVDQLAHG-JTQLQIEISA-N -1 3 230.308 0.413 20 0 BCADHM CONC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000776224998 634230682 /nfs/dbraw/zinc/23/06/82/634230682.db2.gz NPIAQBYRDZHYKA-UHFFFAOYSA-N -1 3 239.157 0.184 20 0 BCADHM Cc1nc(N2CC(F)(F)C[C@H]2CO)cc(=O)[n-]1 ZINC000893364654 634317343 /nfs/dbraw/zinc/31/73/43/634317343.db2.gz ZGNBOYUNKDABBK-ZETCQYMHSA-N -1 3 245.229 0.697 20 0 BCADHM O=C(NCCCO)c1nnc2ccccc2c1[O-] ZINC000162733460 634321283 /nfs/dbraw/zinc/32/12/83/634321283.db2.gz CQYUXDYVPDGRAJ-UHFFFAOYSA-N -1 3 247.254 0.035 20 0 BCADHM COC(CN1Cc2nc(C)[n-]c(=O)c2C1)OC ZINC000931315005 634332994 /nfs/dbraw/zinc/33/29/94/634332994.db2.gz LMXGLZDYCUXQIP-UHFFFAOYSA-N -1 3 239.275 0.425 20 0 BCADHM Cc1nc(NCC2(O)CCOCC2)cc(=O)[n-]1 ZINC000162750332 634335779 /nfs/dbraw/zinc/33/57/79/634335779.db2.gz FIRHLIASMSLFJY-UHFFFAOYSA-N -1 3 239.275 0.444 20 0 BCADHM Cc1nc(NCCC(=O)NC(C)C)cc(=O)[n-]1 ZINC000162779754 634356000 /nfs/dbraw/zinc/35/60/00/634356000.db2.gz KFSZSBRHVUXPII-UHFFFAOYSA-N -1 3 238.291 0.817 20 0 BCADHM Cc1nc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc(=O)[n-]1 ZINC000162896052 635165284 /nfs/dbraw/zinc/16/52/84/635165284.db2.gz REHKORXKKHBUAY-AEJSXWLSSA-N -1 3 235.287 0.698 20 0 BCADHM CC[C@@H](C(=O)N[C@@H](CC1CC1)C(=O)[O-])N(C)C ZINC000909470239 636083455 /nfs/dbraw/zinc/08/34/55/636083455.db2.gz WCSXRECXHOWPGD-UWVGGRQHSA-N -1 3 242.319 0.696 20 0 BCADHM OCCC1CC(N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000897231260 636278782 /nfs/dbraw/zinc/27/87/82/636278782.db2.gz CBEGOHNZKQFBSM-UHFFFAOYSA-N -1 3 233.275 0.299 20 0 BCADHM CC(C)[C@@H](C(=O)N[C@H](C)[C@H](C)C(=O)[O-])N(C)C ZINC000909650546 636372058 /nfs/dbraw/zinc/37/20/58/636372058.db2.gz ILIFRYMSUSBFJZ-AEJSXWLSSA-N -1 3 244.335 0.798 20 0 BCADHM C[C@H]1COC[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000928901592 636481511 /nfs/dbraw/zinc/48/15/11/636481511.db2.gz GTAHXEQKIBDHTA-XVKPBYJWSA-N -1 3 246.270 0.723 20 0 BCADHM Cn1cc(CC(=O)[N-]OCCO)c2ccccc21 ZINC000787296388 636883724 /nfs/dbraw/zinc/88/37/24/636883724.db2.gz MMDCFPDLLJMMAR-UHFFFAOYSA-N -1 3 248.282 0.761 20 0 BCADHM Cc1nc(N[C@H]2CCC[C@@H]2O)cc(=O)[n-]1 ZINC000323097594 636899374 /nfs/dbraw/zinc/89/93/74/636899374.db2.gz BEYKCWUQOHROPL-YUMQZZPRSA-N -1 3 209.249 0.816 20 0 BCADHM C[C@@H]1COC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000905007078 637543883 /nfs/dbraw/zinc/54/38/83/637543883.db2.gz UCMRLGPCAKMQAN-HTRCEHHLSA-N -1 3 219.248 0.173 20 0 BCADHM CCC(F)(F)CS(=O)(=O)c1nnc[n-]1 ZINC000905245298 637705080 /nfs/dbraw/zinc/70/50/80/637705080.db2.gz NUJLECCRUQPOAX-UHFFFAOYSA-N -1 3 225.220 0.624 20 0 BCADHM O=C(Nc1nc[nH]n1)c1cc2c(cc1[O-])OCO2 ZINC000436766728 637802073 /nfs/dbraw/zinc/80/20/73/637802073.db2.gz FJKVDGOYIBYXPY-UHFFFAOYSA-N -1 3 248.198 0.491 20 0 BCADHM CN(CCO)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436771750 637805248 /nfs/dbraw/zinc/80/52/48/637805248.db2.gz YEOFDYLBSABINO-UHFFFAOYSA-N -1 3 239.227 0.185 20 0 BCADHM CN(C)c1cccnc1C(=O)[N-]N1CCCC1=O ZINC000907252778 638333849 /nfs/dbraw/zinc/33/38/49/638333849.db2.gz KBMZSTPOTIVRJX-UHFFFAOYSA-N -1 3 248.286 0.415 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907314523 638352272 /nfs/dbraw/zinc/35/22/72/638352272.db2.gz QRFAFYIUGUXTJT-DRTBCBBWSA-N -1 3 232.239 0.951 20 0 BCADHM NC(=O)CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000907365956 638363387 /nfs/dbraw/zinc/36/33/87/638363387.db2.gz AGGDFVBYQYIITK-UHFFFAOYSA-N -1 3 240.234 0.639 20 0 BCADHM CCS(=O)(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000907376036 638367488 /nfs/dbraw/zinc/36/74/88/638367488.db2.gz WLZXPGWXLWRPMP-UHFFFAOYSA-N -1 3 243.288 0.156 20 0 BCADHM CCOCCO[N-]C(=O)CC1COC1 ZINC000907477329 638385877 /nfs/dbraw/zinc/38/58/77/638385877.db2.gz OLFMCXDCQRCMMW-UHFFFAOYSA-N -1 3 203.238 0.107 20 0 BCADHM Cc1[n-]nc(Cl)c1C(=O)NOCC(C)(C)O ZINC000907794195 638473654 /nfs/dbraw/zinc/47/36/54/638473654.db2.gz KAEWBRYBHGYKKW-UHFFFAOYSA-N -1 3 247.682 0.804 20 0 BCADHM CN1C[C@H](O)C[C@]1(C)C(=O)[N-]OC/C=C\Cl ZINC000908309878 638651427 /nfs/dbraw/zinc/65/14/27/638651427.db2.gz ATXKKMWQOVAZES-CCIFHCDCSA-N -1 3 248.710 0.242 20 0 BCADHM O=C(CC1(O)CCOCC1)[N-]OCC1CC1 ZINC000908382975 638677390 /nfs/dbraw/zinc/67/73/90/638677390.db2.gz MBERSLJQXDDKPW-UHFFFAOYSA-N -1 3 229.276 0.376 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C/C=C\Cl)n1 ZINC000908452982 638740724 /nfs/dbraw/zinc/74/07/24/638740724.db2.gz NTQMSPDAOVPQJV-RQOWECAXSA-N -1 3 235.696 0.451 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000908568622 639018615 /nfs/dbraw/zinc/01/86/15/639018615.db2.gz FMWSBSFGRUJAAK-CNUIFLNQSA-N -1 3 227.260 0.030 20 0 BCADHM O=C([N-]OC1CCC1)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000908569826 639019490 /nfs/dbraw/zinc/01/94/90/639019490.db2.gz WZLRCBBLRYDFJJ-QNSHHTMESA-N -1 3 209.245 0.812 20 0 BCADHM CCN(CCC(=O)[O-])C(=O)[C@@H]1CCCCN1C ZINC000908865864 639083230 /nfs/dbraw/zinc/08/32/30/639083230.db2.gz RTEXQMRIXXITGL-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM CCN(CCC(=O)[O-])C(=O)CN(C)C1CCC1 ZINC000908860973 639086841 /nfs/dbraw/zinc/08/68/41/639086841.db2.gz AZXANUUQINVTFW-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM CCN(CC(=O)[O-])C(=O)[C@H]1CCCN1C(C)C ZINC000908948598 639097905 /nfs/dbraw/zinc/09/79/05/639097905.db2.gz FMBLNMVEPQYNJI-SNVBAGLBSA-N -1 3 242.319 0.792 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)CN(C)C1CCC1 ZINC000908950269 639099201 /nfs/dbraw/zinc/09/92/01/639099201.db2.gz PRGNMYKGISEUKF-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000908986497 639115159 /nfs/dbraw/zinc/11/51/59/639115159.db2.gz DHNXEBPVHJIOPR-NXEZZACHSA-N -1 3 242.319 0.791 20 0 BCADHM CC[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C(=O)[O-] ZINC000909122468 639150519 /nfs/dbraw/zinc/15/05/19/639150519.db2.gz KBZMRLSQXKPZLN-UWVGGRQHSA-N -1 3 242.319 0.839 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)COC(=O)c1cnn[n-]1 ZINC000909310830 639203629 /nfs/dbraw/zinc/20/36/29/639203629.db2.gz DKQXDUCEOWADBN-WDSKDSINSA-N -1 3 209.205 0.187 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)COC(=O)c1c[n-]nn1 ZINC000909310830 639203631 /nfs/dbraw/zinc/20/36/31/639203631.db2.gz DKQXDUCEOWADBN-WDSKDSINSA-N -1 3 209.205 0.187 20 0 BCADHM CCC[C@@H](CNC(=O)CN(CC)CC)C(=O)[O-] ZINC000909814586 639230827 /nfs/dbraw/zinc/23/08/27/639230827.db2.gz PCJCOEFIHJPUGB-JTQLQIEISA-N -1 3 244.335 0.945 20 0 BCADHM CC[C@H](C(=O)N1CC(C)(C(=O)[O-])C1)N(C)C ZINC000910058462 639356739 /nfs/dbraw/zinc/35/67/39/639356739.db2.gz FUKAJYYFCQNSAM-MRVPVSSYSA-N -1 3 228.292 0.260 20 0 BCADHM CC[C@@H](C(=O)N1CC(C)(C(=O)[O-])C1)N(C)C ZINC000910058463 639358516 /nfs/dbraw/zinc/35/85/16/639358516.db2.gz FUKAJYYFCQNSAM-QMMMGPOBSA-N -1 3 228.292 0.260 20 0 BCADHM O=C([O-])CN(C(=O)Cc1c[nH]cn1)C1CCC1 ZINC000910077463 639367803 /nfs/dbraw/zinc/36/78/03/639367803.db2.gz QRPSPADJBNDTJO-UHFFFAOYSA-N -1 3 237.259 0.418 20 0 BCADHM COC[C@](C)(O)CNc1cc(=O)[n-]c(C)n1 ZINC000382581558 711469585 /nfs/dbraw/zinc/46/95/85/711469585.db2.gz YCONBHDLWIBZQY-SNVBAGLBSA-N -1 3 227.264 0.300 20 0 BCADHM C/C(=C\CNc1ccncc1CO)C(=O)[O-] ZINC000910332750 639415411 /nfs/dbraw/zinc/41/54/11/639415411.db2.gz BMNMQMTVWLTTLJ-KRXBUXKQSA-N -1 3 222.244 0.439 20 0 BCADHM C[C@@H](CCC(=O)[O-])Nc1ccncc1CO ZINC000910434257 639448894 /nfs/dbraw/zinc/44/88/94/639448894.db2.gz IZOGGGMLLIOCGO-QMMMGPOBSA-N -1 3 224.260 0.661 20 0 BCADHM CC[C@@H](C(=O)NCC(C)(C)CC(=O)[O-])N(C)C ZINC000910827473 639511407 /nfs/dbraw/zinc/51/14/07/639511407.db2.gz OPUPZEJRHIQEDE-VIFPVBQESA-N -1 3 244.335 0.944 20 0 BCADHM CC[C@@H](CO)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000930499073 639785927 /nfs/dbraw/zinc/78/59/27/639785927.db2.gz UKKXYJCYMNEVKU-IUCAKERBSA-N -1 3 240.307 0.461 20 0 BCADHM O=C(C1=COCC1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911853359 639859498 /nfs/dbraw/zinc/85/94/98/639859498.db2.gz STAONUCWSXKZFP-MRVPVSSYSA-N -1 3 249.270 0.735 20 0 BCADHM CC=CC=CC(=O)NCCCc1c[n-][nH]c1=O ZINC000912470607 640086876 /nfs/dbraw/zinc/08/68/76/640086876.db2.gz UJEWQUKCSWGAKD-KCLYPKKVSA-N -1 3 235.287 0.747 20 0 BCADHM CC/C=C(/F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000912470076 640086894 /nfs/dbraw/zinc/08/68/94/640086894.db2.gz HBLBMAZCRDVOHA-DHFUWRPHSA-N -1 3 241.266 0.878 20 0 BCADHM CC/C=C(\F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000912470077 640087814 /nfs/dbraw/zinc/08/78/14/640087814.db2.gz HBLBMAZCRDVOHA-HMXLAXJASA-N -1 3 241.266 0.878 20 0 BCADHM CN(C(=O)[C@H]1CCN1C(C)(C)C)c1nn[n-]n1 ZINC000912616364 640124333 /nfs/dbraw/zinc/12/43/33/640124333.db2.gz DGKKUSWPFSLHJS-SSDOTTSWSA-N -1 3 238.295 0.035 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)N(C)c1nnn[n-]1 ZINC000912618471 640130838 /nfs/dbraw/zinc/13/08/38/640130838.db2.gz VNPZDLZYFKSBIH-MRVPVSSYSA-N -1 3 238.295 0.037 20 0 BCADHM CCC[C@H](O)CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931313532 640150790 /nfs/dbraw/zinc/15/07/90/640150790.db2.gz KMSMVFNACZCBPS-VIFPVBQESA-N -1 3 237.303 0.967 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C[C@H]1CCC(=O)O1)C2 ZINC000931313760 640151364 /nfs/dbraw/zinc/15/13/64/640151364.db2.gz OUEIDCHZNIHZGK-MRVPVSSYSA-N -1 3 249.270 0.512 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cn(C)nn1)C2 ZINC000931314851 640152538 /nfs/dbraw/zinc/15/25/38/640152538.db2.gz IOSMYCXVQBPFAK-UHFFFAOYSA-N -1 3 246.274 0.135 20 0 BCADHM Cc1noc(CN2Cc3nc(C)[n-]c(=O)c3C2)n1 ZINC000931314142 640153479 /nfs/dbraw/zinc/15/34/79/640153479.db2.gz WHMYQOOOLYZJDK-UHFFFAOYSA-N -1 3 247.258 0.698 20 0 BCADHM CC[C@H](C(N)=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931318194 640154169 /nfs/dbraw/zinc/15/41/69/640154169.db2.gz KLMIPFBTNGEFTE-SECBINFHSA-N -1 3 236.275 0.070 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C[C@H]1CCCO1)C2 ZINC000931322029 640155968 /nfs/dbraw/zinc/15/59/68/640155968.db2.gz YICXHJDXULJVIK-SECBINFHSA-N -1 3 235.287 0.985 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C[C@@H]1CCCO1)C2 ZINC000931322030 640156124 /nfs/dbraw/zinc/15/61/24/640156124.db2.gz YICXHJDXULJVIK-VIFPVBQESA-N -1 3 235.287 0.985 20 0 BCADHM Cn1nnc([N-]C(=O)c2onc3c2CCCC3)n1 ZINC000912834525 640222335 /nfs/dbraw/zinc/22/23/35/640222335.db2.gz CZHHMWLVQGPPQC-UHFFFAOYSA-N -1 3 248.246 0.329 20 0 BCADHM CCc1ccc([O-])c(C(=O)Nc2nnn(C)n2)c1 ZINC000912835282 640224275 /nfs/dbraw/zinc/22/42/75/640224275.db2.gz QSTWUITWJCOTEK-UHFFFAOYSA-N -1 3 247.258 0.730 20 0 BCADHM O=C([N-]C1CN(Cc2csnn2)C1)C(F)F ZINC001030039404 640531834 /nfs/dbraw/zinc/53/18/34/640531834.db2.gz GAUBLPBRDMEPOY-UHFFFAOYSA-N -1 3 248.258 0.104 20 0 BCADHM Cc1nc(NCC(=O)NC(C)C)cc(=O)[n-]1 ZINC000165198819 640546742 /nfs/dbraw/zinc/54/67/42/640546742.db2.gz JXXBNIHXCNWDRL-UHFFFAOYSA-N -1 3 224.264 0.427 20 0 BCADHM CC(C)NC(=O)CCNc1cc(=O)[n-]cn1 ZINC000165327483 640561210 /nfs/dbraw/zinc/56/12/10/640561210.db2.gz NPMSJXKRPMRRNJ-UHFFFAOYSA-N -1 3 224.264 0.097 20 0 BCADHM Cc1nc(NC[C@H](O)C(C)C)cc(=O)[n-]1 ZINC000165332852 640562057 /nfs/dbraw/zinc/56/20/57/640562057.db2.gz WEEKDGYROQPKOD-QMMMGPOBSA-N -1 3 211.265 0.919 20 0 BCADHM CN(C[C@H]1CCCCO1)c1cc(=O)[n-]cn1 ZINC000165399091 640569061 /nfs/dbraw/zinc/56/90/61/640569061.db2.gz JIDZHWANWCNEKN-SECBINFHSA-N -1 3 223.276 0.775 20 0 BCADHM CCN(C[C@H]1CCCO1)c1cc(=O)[n-]cn1 ZINC000165395564 640570035 /nfs/dbraw/zinc/57/00/35/640570035.db2.gz QERQGDQZARKFEX-SECBINFHSA-N -1 3 223.276 0.775 20 0 BCADHM Cc1nc(N2CCC[C@H](O)C2)cc(=O)[n-]1 ZINC000165390196 640570718 /nfs/dbraw/zinc/57/07/18/640570718.db2.gz DPZRRWLBEQXUBJ-QMMMGPOBSA-N -1 3 209.249 0.452 20 0 BCADHM CN(C[C@@H]1CCCOC1)c1cc(=O)[n-]cn1 ZINC000165417204 640574176 /nfs/dbraw/zinc/57/41/76/640574176.db2.gz NPLAFUAASLBNKD-VIFPVBQESA-N -1 3 223.276 0.633 20 0 BCADHM Cc1nc(N2C[C@H]3CC[C@@H](C2)O3)cc(=O)[n-]1 ZINC000165425988 640575169 /nfs/dbraw/zinc/57/51/69/640575169.db2.gz VDVXJWZAJJPHNZ-DTORHVGOSA-N -1 3 221.260 0.858 20 0 BCADHM C[S@](=O)CCNC(=O)c1ccc(O)cc1[O-] ZINC000227614570 640843392 /nfs/dbraw/zinc/84/33/92/640843392.db2.gz ORYLOAJVWIVYEG-INIZCTEOSA-N -1 3 243.284 0.206 20 0 BCADHM COC[C@H](CCO)Nc1cc(=O)[n-]c(C)n1 ZINC000228283952 640868407 /nfs/dbraw/zinc/86/84/07/640868407.db2.gz NTXAXBZXSSZBDI-QMMMGPOBSA-N -1 3 227.264 0.300 20 0 BCADHM Cc1nc(N2C[C@@H](C)O[C@@H](CO)C2)cc(=O)[n-]1 ZINC000230005954 641004305 /nfs/dbraw/zinc/00/43/05/641004305.db2.gz BFSISEVCXMEWFV-VXNVDRBHSA-N -1 3 239.275 0.077 20 0 BCADHM COC[C@H](O)CCNc1cc(=O)[n-]c(C)n1 ZINC000230145951 641030050 /nfs/dbraw/zinc/03/00/50/641030050.db2.gz JDVXKDIDWCORQV-MRVPVSSYSA-N -1 3 227.264 0.300 20 0 BCADHM Cc1nc(N2CC[C@@H](O)[C@@H](C)C2)cc(=O)[n-]1 ZINC000230650223 641075590 /nfs/dbraw/zinc/07/55/90/641075590.db2.gz ZJUQEMYODCENAX-IONNQARKSA-N -1 3 223.276 0.698 20 0 BCADHM COc1cnc([C@@H]2CCCN2CCO)[n-]c1=O ZINC000934274995 641114973 /nfs/dbraw/zinc/11/49/73/641114973.db2.gz XDXUGHBKWTTZAE-QMMMGPOBSA-N -1 3 239.275 0.320 20 0 BCADHM COc1cnc([C@H]2CCCN2CCO)[n-]c1=O ZINC000934274992 641115430 /nfs/dbraw/zinc/11/54/30/641115430.db2.gz XDXUGHBKWTTZAE-MRVPVSSYSA-N -1 3 239.275 0.320 20 0 BCADHM CC(C)[C@@H](CCO)Nc1cc(=O)[n-]cn1 ZINC000231087087 641134861 /nfs/dbraw/zinc/13/48/61/641134861.db2.gz GFAGHHBZHIINKM-MRVPVSSYSA-N -1 3 211.265 0.589 20 0 BCADHM CS[C@H]1CC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000231553232 641179912 /nfs/dbraw/zinc/17/99/12/641179912.db2.gz JVLDBPZJUFFAJI-BQBZGAKWSA-N -1 3 226.305 0.819 20 0 BCADHM CO[C@@H]1C[C@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000935032552 641321342 /nfs/dbraw/zinc/32/13/42/641321342.db2.gz LMPCZYPIYHJKDQ-GMSGAONNSA-N -1 3 249.270 0.102 20 0 BCADHM CC1(CC(=O)Nc2ccncc2[O-])COC1 ZINC000935128211 641344886 /nfs/dbraw/zinc/34/48/86/641344886.db2.gz ZIQGYARZTDBJBP-UHFFFAOYSA-N -1 3 222.244 0.574 20 0 BCADHM Cn1cnc(/C=C/C(=O)[N-]OCC(F)F)c1 ZINC000935389678 641399823 /nfs/dbraw/zinc/39/98/23/641399823.db2.gz YSZWZMYIHKYDSY-NSCUHMNNSA-N -1 3 231.202 0.746 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1C[C@H]1C(=O)OCC ZINC000935456596 641411469 /nfs/dbraw/zinc/41/14/69/641411469.db2.gz OLEBUJJJCWEMPH-RKDXNWHRSA-N -1 3 245.275 0.270 20 0 BCADHM Cn1cnc(/C=C/C(=O)[N-]OCC(C)(C)O)c1 ZINC000935690567 641460053 /nfs/dbraw/zinc/46/00/53/641460053.db2.gz RTMGHELRYVPXTB-SNAWJCMRSA-N -1 3 239.275 0.252 20 0 BCADHM Cc1cc(CCC(=O)[N-]OCC(C)(C)O)no1 ZINC000935689826 641460545 /nfs/dbraw/zinc/46/05/45/641460545.db2.gz NICQELYBGDYERJ-UHFFFAOYSA-N -1 3 242.275 0.734 20 0 BCADHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)[N-]OC)C1 ZINC000159559499 641687281 /nfs/dbraw/zinc/68/72/81/641687281.db2.gz SWLPECVDRTXULI-NXEZZACHSA-N -1 3 242.319 0.949 20 0 BCADHM CO[C@H](C)C(=O)N[N-]C(=O)c1ccccc1F ZINC000049104426 641707770 /nfs/dbraw/zinc/70/77/70/641707770.db2.gz FFXXIHUWEXXEDB-SSDOTTSWSA-N -1 3 240.234 0.622 20 0 BCADHM O=C(CC1(O)CCCC1)[N-]OC[C@H]1CCOC1 ZINC000188309107 641752511 /nfs/dbraw/zinc/75/25/11/641752511.db2.gz YZFMNLZUXACORA-JTQLQIEISA-N -1 3 243.303 0.766 20 0 BCADHM CCNC(=S)NN=c1nc(OC)cc[n-]1 ZINC000914704775 641754048 /nfs/dbraw/zinc/75/40/48/641754048.db2.gz SSNPGRCLTRZHIR-UHFFFAOYSA-N -1 3 227.293 0.296 20 0 BCADHM CC(C)CO[N-]C(=O)[C@H](C)CS(C)(=O)=O ZINC000153361281 641768817 /nfs/dbraw/zinc/76/88/17/641768817.db2.gz AKWFTHDUFPOPCC-MRVPVSSYSA-N -1 3 237.321 0.371 20 0 BCADHM O=C(CC[C@H]1CCOC1)[N-]OC[C@H]1CCOC1 ZINC000189257324 641798446 /nfs/dbraw/zinc/79/84/46/641798446.db2.gz ZJUCXFIERRSHPV-QWRGUYRKSA-N -1 3 243.303 0.887 20 0 BCADHM CCC(=O)N1CC[C@H](C(=O)[N-]OCC(C)C)C1 ZINC000153494773 641806364 /nfs/dbraw/zinc/80/63/64/641806364.db2.gz LNWBDPUDNSJNHY-JTQLQIEISA-N -1 3 242.319 0.949 20 0 BCADHM Cc1nnc(COC(=O)c2cncc([O-])c2)o1 ZINC000731916122 641821865 /nfs/dbraw/zinc/82/18/65/641821865.db2.gz QUEHPGOYFUVYLJ-UHFFFAOYSA-N -1 3 235.199 0.836 20 0 BCADHM COc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]2C)s1 ZINC000915366201 641821969 /nfs/dbraw/zinc/82/19/69/641821969.db2.gz MREGVXIDQISMTG-PHDIDXHHSA-N -1 3 248.329 0.838 20 0 BCADHM CCONC(=O)c1cc2c(cc1[O-])OCO2 ZINC000916737670 641971784 /nfs/dbraw/zinc/97/17/84/641971784.db2.gz YQLUTQCYXRGKHZ-UHFFFAOYSA-N -1 3 225.200 0.802 20 0 BCADHM C(CSCCc1nnn[n-]1)OC1CC1 ZINC000917865797 642133837 /nfs/dbraw/zinc/13/38/37/642133837.db2.gz MARZELXWPILAJJ-UHFFFAOYSA-N -1 3 214.294 0.654 20 0 BCADHM C(CSCCc1nn[n-]n1)OC1CC1 ZINC000917865797 642133844 /nfs/dbraw/zinc/13/38/44/642133844.db2.gz MARZELXWPILAJJ-UHFFFAOYSA-N -1 3 214.294 0.654 20 0 BCADHM CCC(=O)N1CCC[C@@H](C(=O)[N-]OC)C1 ZINC000918689521 642249240 /nfs/dbraw/zinc/24/92/40/642249240.db2.gz WFQKPONSECHRJE-MRVPVSSYSA-N -1 3 214.265 0.313 20 0 BCADHM CCCCS(=O)(=O)[N-][C@@H]1C[C@@H](C)OC1=O ZINC000919722203 642380487 /nfs/dbraw/zinc/38/04/87/642380487.db2.gz GMLVFJXKFJDGCQ-HTQZYQBOSA-N -1 3 235.305 0.410 20 0 BCADHM CO[N-]C(=O)Cc1[nH]nc2ccccc21 ZINC000920278736 642463574 /nfs/dbraw/zinc/46/35/74/642463574.db2.gz WWOLTPXUFRCBCK-UHFFFAOYSA-N -1 3 205.217 0.783 20 0 BCADHM C[C@H](CO)NC(=O)c1nnc2ccccc2c1[O-] ZINC000305205345 642648066 /nfs/dbraw/zinc/64/80/66/642648066.db2.gz YLCWYLPCICJRFH-SSDOTTSWSA-N -1 3 247.254 0.446 20 0 BCADHM O=c1cc(N2CC[C@H]3NC(=O)CC[C@H]3C2)nc[n-]1 ZINC000253627811 642671492 /nfs/dbraw/zinc/67/14/92/642671492.db2.gz XWWWIZHDACWYGX-DTWKUNHWSA-N -1 3 248.286 0.287 20 0 BCADHM Cc1ccc(C#N)cc1NC(=O)[N-]OCC(N)=O ZINC000180697710 642807446 /nfs/dbraw/zinc/80/74/46/642807446.db2.gz RPFWEVNERLPIEG-UHFFFAOYSA-N -1 3 248.242 0.405 20 0 BCADHM Cc1c(F)cccc1NC(=O)[N-]OCC(N)=O ZINC000180695927 642807538 /nfs/dbraw/zinc/80/75/38/642807538.db2.gz JNHBDFDKSMCEQJ-UHFFFAOYSA-N -1 3 241.222 0.673 20 0 BCADHM O=C(c1nnc2ccccc2c1[O-])N1CCCO1 ZINC000183626180 643151161 /nfs/dbraw/zinc/15/11/61/643151161.db2.gz UJDKADKYOSFPDN-UHFFFAOYSA-N -1 3 245.238 0.701 20 0 BCADHM COc1ncccc1C(=O)NN=c1cccn[n-]1 ZINC000077029889 643264341 /nfs/dbraw/zinc/26/43/41/643264341.db2.gz BSUIXLDUMQPGAL-UHFFFAOYSA-N -1 3 245.242 0.637 20 0 BCADHM CCCn1cc([N-]S(C)(=O)=O)cn1 ZINC000306276574 643314467 /nfs/dbraw/zinc/31/44/67/643314467.db2.gz HCWYKNWZBUBFOU-UHFFFAOYSA-N -1 3 203.267 0.665 20 0 BCADHM Cc1ccc(NC([O-])=NOCC(N)=O)s1 ZINC000185555698 643332841 /nfs/dbraw/zinc/33/28/41/643332841.db2.gz PREBZKYYRZEPQF-UHFFFAOYSA-N -1 3 229.261 0.595 20 0 BCADHM Cc1ccc(NC(=O)[N-]OCC(N)=O)s1 ZINC000185555698 643332845 /nfs/dbraw/zinc/33/28/45/643332845.db2.gz PREBZKYYRZEPQF-UHFFFAOYSA-N -1 3 229.261 0.595 20 0 BCADHM COCCN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC000095339906 643345010 /nfs/dbraw/zinc/34/50/10/643345010.db2.gz SUYAUXMOESADOK-UHFFFAOYSA-N -1 3 248.290 0.653 20 0 BCADHM COCCN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC000095339906 643345017 /nfs/dbraw/zinc/34/50/17/643345017.db2.gz SUYAUXMOESADOK-UHFFFAOYSA-N -1 3 248.290 0.653 20 0 BCADHM CCCO[N-]C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000844087513 643383636 /nfs/dbraw/zinc/38/36/36/643383636.db2.gz VNTDGLSHRYYQTA-HTQZYQBOSA-N -1 3 237.321 0.513 20 0 BCADHM CCCO[N-]C(=O)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000844087516 643384134 /nfs/dbraw/zinc/38/41/34/643384134.db2.gz VNTDGLSHRYYQTA-YUMQZZPRSA-N -1 3 237.321 0.513 20 0 BCADHM CN1CC[C@H](OC(=O)c2ccc([O-])cc2)C1=O ZINC000734883728 643512676 /nfs/dbraw/zinc/51/26/76/643512676.db2.gz PGIRQDHLAVKALI-JTQLQIEISA-N -1 3 235.239 0.780 20 0 BCADHM CNC(=S)NNC(=O)c1ccc(C)cc1[O-] ZINC000042065405 643668089 /nfs/dbraw/zinc/66/80/89/643668089.db2.gz ITMYYXNOGNGMSK-UHFFFAOYSA-N -1 3 239.300 0.439 20 0 BCADHM O=S(=O)([N-][C@H]1C[C@H](CO)C1)c1cscn1 ZINC000922063175 643856938 /nfs/dbraw/zinc/85/69/38/643856938.db2.gz FNYSZFQMXIFKJI-LJGSYFOKSA-N -1 3 248.329 0.192 20 0 BCADHM O=C(c1ccccc1[O-])N1CC=C[C@@H]1CO ZINC000922262740 643931429 /nfs/dbraw/zinc/93/14/29/643931429.db2.gz YQTNBPMJXMIDRM-SECBINFHSA-N -1 3 219.240 0.765 20 0 BCADHM CO[N-]C(=O)CNCc1cc(F)cc(OC)c1 ZINC000922826906 644102796 /nfs/dbraw/zinc/10/27/96/644102796.db2.gz BRGKIKYYVGKHHV-UHFFFAOYSA-N -1 3 242.250 0.602 20 0 BCADHM CO[N-]C(=O)CNCc1cncn1C(C)C ZINC000922827713 644103891 /nfs/dbraw/zinc/10/38/91/644103891.db2.gz LZNJLGKRFNUHNI-UHFFFAOYSA-N -1 3 226.280 0.231 20 0 BCADHM CO[N-]C(=O)CNCc1ccc(F)c(F)c1 ZINC000922829738 644105903 /nfs/dbraw/zinc/10/59/03/644105903.db2.gz HACCHUMYDKIPFQ-UHFFFAOYSA-N -1 3 230.214 0.732 20 0 BCADHM CO[N-]C(=O)CNCc1cc(F)c(F)c(F)c1 ZINC000922829968 644114469 /nfs/dbraw/zinc/11/44/69/644114469.db2.gz KTZKKAKFCYUJQK-UHFFFAOYSA-N -1 3 248.204 0.871 20 0 BCADHM O=C([O-])CCN1CCOC[C@H]1CC1CC1 ZINC000923272883 644307652 /nfs/dbraw/zinc/30/76/52/644307652.db2.gz AWZUBBBXPGOZFD-SNVBAGLBSA-N -1 3 213.277 0.962 20 0 BCADHM O=C([N-]O[C@H]1CCCCO1)c1ccc(=O)[nH]c1 ZINC000195460070 644393027 /nfs/dbraw/zinc/39/30/27/644393027.db2.gz SZXOBJOZIKPXQK-JTQLQIEISA-N -1 3 238.243 0.975 20 0 BCADHM CC(=O)CCCCCCC(=O)[N-]OCC(N)=O ZINC000089463660 644553753 /nfs/dbraw/zinc/55/37/53/644553753.db2.gz YINAGMGIWDSIAE-UHFFFAOYSA-N -1 3 244.291 0.449 20 0 BCADHM C[C@@H](O)C[C@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000304557665 644917620 /nfs/dbraw/zinc/91/76/20/644917620.db2.gz NFMKYGJXAHUJQX-RKDXNWHRSA-N -1 3 223.276 0.922 20 0 BCADHM CCc1cc([N-]S(=O)(=O)N2CCC2)nn1C ZINC000817355074 644973514 /nfs/dbraw/zinc/97/35/14/644973514.db2.gz RRHOGYMEXTVNHT-UHFFFAOYSA-N -1 3 244.320 0.345 20 0 BCADHM CCN(CC)CC(=O)[N-]OCC1CC1 ZINC000817367986 644975969 /nfs/dbraw/zinc/97/59/69/644975969.db2.gz NVVMKENSJZCLKX-UHFFFAOYSA-N -1 3 200.282 0.786 20 0 BCADHM O=C([N-]OCC1CC1)[C@H]1CCc2nncn2C1 ZINC000817371961 644977332 /nfs/dbraw/zinc/97/73/32/644977332.db2.gz DGEPGZMMKMYLNH-VIFPVBQESA-N -1 3 236.275 0.298 20 0 BCADHM CO[N-]C(=O)Cc1ccc(O)c(OC)c1 ZINC000857436373 645555941 /nfs/dbraw/zinc/55/59/41/645555941.db2.gz ZMWXIQIBHCAVHF-UHFFFAOYSA-N -1 3 211.217 0.621 20 0 BCADHM CC(C)O[N-]C(=O)[C@@H](C)CS(C)(=O)=O ZINC000857523109 645591376 /nfs/dbraw/zinc/59/13/76/645591376.db2.gz XCGVFNYDBFGVFV-ZETCQYMHSA-N -1 3 223.294 0.123 20 0 BCADHM O=C([N-]OC1CCC1)[C@@H]1CCc2nncn2C1 ZINC000857522014 645588677 /nfs/dbraw/zinc/58/86/77/645588677.db2.gz ACKVJVXNIDRFGU-MRVPVSSYSA-N -1 3 236.275 0.441 20 0 BCADHM O=C(C[C@H]1CCC(=O)NC1)[N-]OC1CCC1 ZINC000857525657 645594516 /nfs/dbraw/zinc/59/45/16/645594516.db2.gz UOCDUDRALLWCAS-MRVPVSSYSA-N -1 3 226.276 0.503 20 0 BCADHM O=C(C[C@@H]1CCC(=O)NC1)[N-]OC1CCC1 ZINC000857525659 645594778 /nfs/dbraw/zinc/59/47/78/645594778.db2.gz UOCDUDRALLWCAS-QMMMGPOBSA-N -1 3 226.276 0.503 20 0 BCADHM C[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)CCO1 ZINC000928527445 645789916 /nfs/dbraw/zinc/78/99/16/645789916.db2.gz QLYQCOGJVAGNPT-MRVPVSSYSA-N -1 3 237.259 0.433 20 0 BCADHM O=C(Cc1cccc(Cl)c1)[N-]OCCO ZINC000776584185 711709293 /nfs/dbraw/zinc/70/92/93/711709293.db2.gz HIADKHLETGJDEY-UHFFFAOYSA-N -1 3 229.663 0.923 20 0 BCADHM Cc1nc(NC[C@@H]2CNC(=O)C2)cc(=O)[n-]1 ZINC000398327030 711710035 /nfs/dbraw/zinc/71/00/35/711710035.db2.gz GCXIJVHMEDMEOU-SSDOTTSWSA-N -1 3 222.248 0.039 20 0 BCADHM COC(=O)c1cc(C(=O)N=S(C)(C)=O)c[n-]1 ZINC000913640549 711847674 /nfs/dbraw/zinc/84/76/74/711847674.db2.gz ZGUUDWGPZNLMRK-UHFFFAOYSA-N -1 3 244.272 0.669 20 0 BCADHM CC[C@]1(O)CCCN(c2cc(=O)[n-]cn2)C1 ZINC000710667911 712265433 /nfs/dbraw/zinc/26/54/33/712265433.db2.gz OEYLPKMRVRORRD-NSHDSACASA-N -1 3 223.276 0.924 20 0 BCADHM Cc1ccc(C(=O)NC[C@@H](O)[C@@H](C)O)c([O-])c1 ZINC000717336667 712649468 /nfs/dbraw/zinc/64/94/68/712649468.db2.gz RBLHYYJLEYUMCH-LDYMZIIASA-N -1 3 239.271 0.172 20 0 BCADHM O=C([N-]CC1(CO)COC1)C(F)(F)C(F)F ZINC000717636988 712665713 /nfs/dbraw/zinc/66/57/13/712665713.db2.gz DCPYZIWSSCUKAJ-UHFFFAOYSA-N -1 3 245.172 0.012 20 0 BCADHM O=C(NC[C@H]1C[C@H](O)C1)c1ccccc1[O-] ZINC000720912605 712877887 /nfs/dbraw/zinc/87/78/87/712877887.db2.gz BEEPPVUVWLIXOL-KYZUINATSA-N -1 3 221.256 0.893 20 0 BCADHM Cc1nc(NC[C@H]2C[C@H](O)C2)cc(=O)[n-]1 ZINC000720980572 712885055 /nfs/dbraw/zinc/88/50/55/712885055.db2.gz XQFUWWWKFHJQKD-ZKCHVHJHSA-N -1 3 209.249 0.673 20 0 BCADHM C[C@@H]1[C@H](Nc2cc(=O)[n-]cn2)CCS1(=O)=O ZINC000381802383 710720157 /nfs/dbraw/zinc/72/01/57/710720157.db2.gz DQAAGIPBTZPBQV-RNFRBKRXSA-N -1 3 243.288 0.170 20 0 BCADHM CCSCCOC(=O)c1cnn[n-]1 ZINC000388782972 711068106 /nfs/dbraw/zinc/06/81/06/711068106.db2.gz JWZMTOPXPCVXQX-UHFFFAOYSA-N -1 3 201.251 0.715 20 0 BCADHM CCSCCOC(=O)c1c[n-]nn1 ZINC000388782972 711068113 /nfs/dbraw/zinc/06/81/13/711068113.db2.gz JWZMTOPXPCVXQX-UHFFFAOYSA-N -1 3 201.251 0.715 20 0 BCADHM CCCS(=O)(=O)[N-][C@@H](C)C(F)F ZINC000390365578 711113771 /nfs/dbraw/zinc/11/37/71/711113771.db2.gz VEPSIJRBGYAGPB-YFKPBYRVSA-N -1 3 201.238 0.969 20 0 BCADHM CCCS(=O)(=O)[N-][C@H](C)C(F)F ZINC000390365570 711113929 /nfs/dbraw/zinc/11/39/29/711113929.db2.gz VEPSIJRBGYAGPB-RXMQYKEDSA-N -1 3 201.238 0.969 20 0 BCADHM C[C@H]1COCCN(c2cc(=O)[n-]cn2)C1 ZINC000399510397 711430600 /nfs/dbraw/zinc/43/06/00/711430600.db2.gz KKXQXIODDNVLNI-MRVPVSSYSA-N -1 3 209.249 0.655 20 0 BCADHM C[C@H]1C[C@H](CO)CN(c2cc(=O)[n-]cn2)C1 ZINC000398631174 711413301 /nfs/dbraw/zinc/41/33/01/711413301.db2.gz PFFWWFJMVFGDGS-IUCAKERBSA-N -1 3 223.276 0.637 20 0 BCADHM Cc1nc(N2C[C@H](CO)C[C@H](C)C2)cc(=O)[n-]1 ZINC000398737264 711414448 /nfs/dbraw/zinc/41/44/48/711414448.db2.gz VARATPRPKIZICC-WCBMZHEXSA-N -1 3 237.303 0.945 20 0 BCADHM Cc1nc(N2C[C@H](C)C[C@@H](CO)C2)cc(=O)[n-]1 ZINC000398737255 711414829 /nfs/dbraw/zinc/41/48/29/711414829.db2.gz VARATPRPKIZICC-PSASIEDQSA-N -1 3 237.303 0.945 20 0 BCADHM CCC[C@](C)(NCc1cnn(C)n1)C(=O)[O-] ZINC000381307438 710620522 /nfs/dbraw/zinc/62/05/22/710620522.db2.gz LAABVFLWHVNAEM-JTQLQIEISA-N -1 3 226.280 0.548 20 0 BCADHM O=C(N[C@H]1CC12CC(O)C2)c1ccc(O)cc1[O-] ZINC000724962948 710751483 /nfs/dbraw/zinc/75/14/83/710751483.db2.gz NYWFCFKTZULZRO-SAVVLTDYSA-N -1 3 249.266 0.741 20 0 BCADHM CC[C@@H]1C[C@H]1CN1CCO[C@H](C(=O)[O-])C1 ZINC000723069130 711499085 /nfs/dbraw/zinc/49/90/85/711499085.db2.gz BGPBBINXAFRXHJ-UTLUCORTSA-N -1 3 213.277 0.818 20 0 BCADHM CC(=O)[N-]OCC(=O)NCCOCCC(C)C ZINC000084489684 711573472 /nfs/dbraw/zinc/57/34/72/711573472.db2.gz NHOBBIVRHGHJOS-UHFFFAOYSA-N -1 3 246.307 0.233 20 0 BCADHM CC(=O)[N-]OCC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000084489698 711573484 /nfs/dbraw/zinc/57/34/84/711573484.db2.gz WFQNFQSJTWVDMQ-MRVPVSSYSA-N -1 3 240.303 0.844 20 0 BCADHM CCN=c1[n-]cc(C(=O)OC[C@@H](C)O)s1 ZINC000393620187 711594579 /nfs/dbraw/zinc/59/45/79/711594579.db2.gz PKXMQTNPODFDEX-ZCFIWIBFSA-N -1 3 230.289 0.534 20 0 BCADHM Cc1nc(N2CCC(C(N)=O)CC2)cc(=O)[n-]1 ZINC000162791684 711680538 /nfs/dbraw/zinc/68/05/38/711680538.db2.gz JPPFIOPOGBNREN-UHFFFAOYSA-N -1 3 236.275 0.192 20 0 BCADHM COC[C@H](CN1CCO[C@@H](C(=O)[O-])C1)C(C)C ZINC000721856798 711791639 /nfs/dbraw/zinc/79/16/39/711791639.db2.gz AEQOUQBQRVDKHA-WDEREUQCSA-N -1 3 245.319 0.690 20 0 BCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OC1CCCCC1 ZINC000907544809 711815979 /nfs/dbraw/zinc/81/59/79/711815979.db2.gz VVBLBOFJOJCNKW-BDAKNGLRSA-N -1 3 226.276 0.488 20 0 BCADHM CC(C)C[C@@H](CO)Nc1cc(=O)[n-]cn1 ZINC000165214026 711825941 /nfs/dbraw/zinc/82/59/41/711825941.db2.gz JSYFVXGZWHFCJE-QMMMGPOBSA-N -1 3 211.265 0.589 20 0 BCADHM CC(=O)[N-]O[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000180807878 711890195 /nfs/dbraw/zinc/89/01/95/711890195.db2.gz DXCKPUGFGSWAFM-VIFPVBQESA-N -1 3 228.292 0.701 20 0 BCADHM Cc1nc(N2CC[C@@H](C)[C@H](CO)C2)cc(=O)[n-]1 ZINC000700413629 711993127 /nfs/dbraw/zinc/99/31/27/711993127.db2.gz FENVAKYLQIDWBW-SCZZXKLOSA-N -1 3 237.303 0.945 20 0 BCADHM O=c1cc(N2CCO[C@H](CCF)C2)nc[n-]1 ZINC000700594334 711999142 /nfs/dbraw/zinc/99/91/42/711999142.db2.gz ZILGGOLGRJMFNO-MRVPVSSYSA-N -1 3 227.239 0.747 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1ccco1 ZINC000700620674 712002806 /nfs/dbraw/zinc/00/28/06/712002806.db2.gz SZTKNKYBLUTNIZ-SNAWJCMRSA-N -1 3 211.217 0.987 20 0 BCADHM CC(C)(O)[C@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000706813051 712156542 /nfs/dbraw/zinc/15/65/42/712156542.db2.gz BVTKTQIJJLXDIQ-MRVPVSSYSA-N -1 3 223.276 0.922 20 0 BCADHM CCC[N-]S(=O)(=O)c1cnc(OC)s1 ZINC000379573317 712388661 /nfs/dbraw/zinc/38/86/61/712388661.db2.gz IPPCIQKGXHZFGN-UHFFFAOYSA-N -1 3 236.318 0.840 20 0 BCADHM CN1CC[C@@H]1CNC(=O)c1ccc([O-])cc1F ZINC000712283064 712394590 /nfs/dbraw/zinc/39/45/90/712394590.db2.gz ITKORKSVSINVNS-MRVPVSSYSA-N -1 3 238.262 0.965 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1ccns1 ZINC000716385302 712557739 /nfs/dbraw/zinc/55/77/39/712557739.db2.gz LSCBHYFZRVINJB-YFKPBYRVSA-N -1 3 223.261 0.752 20 0 BCADHM CCN(CC)CC(=O)[N-]OC1CCC1 ZINC000812788355 712586534 /nfs/dbraw/zinc/58/65/34/712586534.db2.gz UVPOEWYTSNAZQZ-UHFFFAOYSA-N -1 3 200.282 0.929 20 0 BCADHM O=c1cc(N[C@@H](CO)C2CCC2)nc[n-]1 ZINC000717586042 712661489 /nfs/dbraw/zinc/66/14/89/712661489.db2.gz KBYSYDRTILPPNV-QMMMGPOBSA-N -1 3 209.249 0.755 20 0 BCADHM Cc1nc(N[C@H](CO)CC(F)F)cc(=O)[n-]1 ZINC000717843583 712692757 /nfs/dbraw/zinc/69/27/57/712692757.db2.gz FXJXUHSUZXTCCY-LURJTMIESA-N -1 3 233.218 0.919 20 0 BCADHM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C ZINC000719336711 712804446 /nfs/dbraw/zinc/80/44/46/712804446.db2.gz KIACEXSBNSJGDV-DTWKUNHWSA-N -1 3 235.287 0.610 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H]1CC[C@H](C)O1 ZINC000408081548 343975569 /nfs/dbraw/zinc/97/55/69/343975569.db2.gz DWCSDBCDTSPHLV-JGVFFNPUSA-N -1 3 224.264 0.804 20 0 BCADHM C[C@@H]1C[C@H](CN2CCOC[C@@H]2C(=O)[O-])CCO1 ZINC000257684403 349471462 /nfs/dbraw/zinc/47/14/62/349471462.db2.gz RAIMLBQKTYBEOU-GMTAPVOTSA-N -1 3 243.303 0.587 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1[O-] ZINC000334220809 136215708 /nfs/dbraw/zinc/21/57/08/136215708.db2.gz SDTHDTGSEGPRBR-RKDXNWHRSA-N -1 3 221.256 0.988 20 0 BCADHM CCC[C@H]([N-]C(=O)C(C)(F)F)C(N)=O ZINC000289210387 398164585 /nfs/dbraw/zinc/16/45/85/398164585.db2.gz MEBAUCGWHLWNBC-YFKPBYRVSA-N -1 3 208.208 0.412 20 0 BCADHM Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000299696359 398216049 /nfs/dbraw/zinc/21/60/49/398216049.db2.gz WDVJSCTXARFGKK-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2CCOCC2)n1 ZINC000177912263 178202132 /nfs/dbraw/zinc/20/21/32/178202132.db2.gz GUDOWTPHVRLEQA-VIFPVBQESA-N -1 3 223.276 0.884 20 0 BCADHM C/C=C/C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000625557887 343988908 /nfs/dbraw/zinc/98/89/08/343988908.db2.gz KOMQKSWRRWXGSE-ONEGZZNKSA-N -1 3 215.278 0.275 20 0 BCADHM C[C@@H]1CCN(CCNC(=O)C(C)(C)C(=O)[O-])C1 ZINC000649453832 398256580 /nfs/dbraw/zinc/25/65/80/398256580.db2.gz JSPCATUQIPWJKU-SECBINFHSA-N -1 3 242.319 0.555 20 0 BCADHM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@@H](C)N(C)C ZINC000649461982 398263320 /nfs/dbraw/zinc/26/33/20/398263320.db2.gz VTOPZFHOHHDTPN-RKDXNWHRSA-N -1 3 230.308 0.410 20 0 BCADHM Cc1ccc(C(=O)N(C)CC(N)=O)c([O-])c1 ZINC000037269250 178376171 /nfs/dbraw/zinc/37/61/71/178376171.db2.gz OHBXSFOPDIFZFG-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM CC(C)C[C@H](NC(=O)C1(N)CCCC1)C(=O)[O-] ZINC000040471205 346841933 /nfs/dbraw/zinc/84/19/33/346841933.db2.gz QIRRRCKMVWGRFU-VIFPVBQESA-N -1 3 242.319 0.873 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@H]1CCC(=O)N1 ZINC000082258982 398272341 /nfs/dbraw/zinc/27/23/41/398272341.db2.gz LADLJNVPKMDVGS-MRVPVSSYSA-N -1 3 220.228 0.609 20 0 BCADHM CN(C)C1(CN(C)C(=O)C(=O)[O-])CCC1 ZINC000165263220 361836925 /nfs/dbraw/zinc/83/69/25/361836925.db2.gz SGAJGVYTMPVJON-UHFFFAOYSA-N -1 3 214.265 0.014 20 0 BCADHM Cc1cnc(C(=O)[N-]c2nc[nH]n2)cn1 ZINC000023142588 342789906 /nfs/dbraw/zinc/78/99/06/342789906.db2.gz FZXFCWBEZAZFCD-UHFFFAOYSA-N -1 3 204.193 0.155 20 0 BCADHM CC[C@H]1CCCCN1CC(=O)NCC(=O)[O-] ZINC000033433880 342804834 /nfs/dbraw/zinc/80/48/34/342804834.db2.gz KWDXDQXSMUSDBK-VIFPVBQESA-N -1 3 228.292 0.452 20 0 BCADHM CCN1CN(C(=O)c2cc(C)ccc2[O-])CC1=O ZINC000190535866 538989958 /nfs/dbraw/zinc/98/99/58/538989958.db2.gz MCICNCHNJMMPRD-UHFFFAOYSA-N -1 3 248.282 0.962 20 0 BCADHM C[C@@H]1C[C@H]1c1noc([C@H]2CCS(=O)(=O)[N-]2)n1 ZINC000650563139 398298257 /nfs/dbraw/zinc/29/82/57/398298257.db2.gz MWAUWQMIGIYJMS-FSDSQADBSA-N -1 3 243.288 0.557 20 0 BCADHM O=C1CN(Cc2cc([O-])ccc2Cl)CCN1 ZINC000625055168 342846418 /nfs/dbraw/zinc/84/64/18/342846418.db2.gz CCCULOBOFYNOQJ-UHFFFAOYSA-N -1 3 240.690 0.977 20 0 BCADHM CCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000059664664 342853224 /nfs/dbraw/zinc/85/32/24/342853224.db2.gz XQJQUZJBNCEZKT-UHFFFAOYSA-N -1 3 218.212 0.320 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@H]1C[C@H]1C ZINC000519485466 398305676 /nfs/dbraw/zinc/30/56/76/398305676.db2.gz BPCVTEHAXRGBPL-SZEHBUNVSA-N -1 3 237.303 0.661 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCC[C@H](F)C1 ZINC000628012529 342871368 /nfs/dbraw/zinc/87/13/68/342871368.db2.gz PFRKKDNKICTNRW-ZETCQYMHSA-N -1 3 225.223 0.756 20 0 BCADHM CN1CC=C(CNc2cncc(C(=O)[O-])n2)CC1 ZINC000392289684 398317973 /nfs/dbraw/zinc/31/79/73/398317973.db2.gz NLCJDPAYLCCHTE-UHFFFAOYSA-N -1 3 248.286 0.849 20 0 BCADHM O=S(=O)([N-]Cc1ccno1)c1ccco1 ZINC000336475704 398319211 /nfs/dbraw/zinc/31/92/11/398319211.db2.gz KBKVVBPEONHGIW-UHFFFAOYSA-N -1 3 228.229 0.746 20 0 BCADHM CC[C@@H](NC(=O)[C@H]1NCCCC1(C)C)C(=O)[O-] ZINC000233891751 342913615 /nfs/dbraw/zinc/91/36/15/342913615.db2.gz AUIZDEIGRPKEOK-RKDXNWHRSA-N -1 3 242.319 0.744 20 0 BCADHM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000305200931 529423681 /nfs/dbraw/zinc/42/36/81/529423681.db2.gz KUYCAXUGJGNMMZ-HTQZYQBOSA-N -1 3 247.320 0.095 20 0 BCADHM O=C(N[C@H]1CC[C@H](O)CC1)c1cc(=O)[n-]cn1 ZINC000626253414 349652451 /nfs/dbraw/zinc/65/24/51/349652451.db2.gz DWTCFDWXYIPRII-ZKCHVHJHSA-N -1 3 237.259 0.216 20 0 BCADHM CN(C)CCn1[n-]c(-c2ccoc2)cc1=O ZINC000634590129 342936943 /nfs/dbraw/zinc/93/69/43/342936943.db2.gz QOUQTDJFUOTILH-UHFFFAOYSA-N -1 3 221.260 0.778 20 0 BCADHM CN(CC(F)F)C(=O)c1cc(=O)[n-]cn1 ZINC000625246802 342935805 /nfs/dbraw/zinc/93/58/05/342935805.db2.gz DNILZPGAHLJMPP-UHFFFAOYSA-N -1 3 217.175 0.519 20 0 BCADHM COCCc1cc(=O)n(CCN(C)C)[n-]1 ZINC000634589594 342936733 /nfs/dbraw/zinc/93/67/33/342936733.db2.gz CFLDSWWNUADIFP-UHFFFAOYSA-N -1 3 213.281 0.173 20 0 BCADHM Cc1ccc([O-])c(CN(C)[C@@H]2CCNC2=O)n1 ZINC000355198925 398331979 /nfs/dbraw/zinc/33/19/79/398331979.db2.gz OKQKXCHVWVZIQL-SNVBAGLBSA-N -1 3 235.287 0.416 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@H](O)[C@@H](C)C2)n1 ZINC000351818985 136255798 /nfs/dbraw/zinc/25/57/98/136255798.db2.gz JOVIIEGJZFXCRV-WPRPVWTQSA-N -1 3 237.303 0.557 20 0 BCADHM Cc1cc(NC(=O)c2cnn[n-]2)sn1 ZINC000176432288 346910460 /nfs/dbraw/zinc/91/04/60/346910460.db2.gz ZXIOUEGXDVGEPD-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1cc(NC(=O)c2c[n-]nn2)sn1 ZINC000176432288 346910462 /nfs/dbraw/zinc/91/04/62/346910462.db2.gz ZXIOUEGXDVGEPD-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1cc(NC(=O)c2cn[n-]n2)sn1 ZINC000176432288 346910463 /nfs/dbraw/zinc/91/04/63/346910463.db2.gz ZXIOUEGXDVGEPD-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM CCCC(=O)N[C@H]1CCCN(CC(=O)[O-])C1 ZINC000390291011 343078823 /nfs/dbraw/zinc/07/88/23/343078823.db2.gz YSNCINDRFHFYHR-VIFPVBQESA-N -1 3 228.292 0.452 20 0 BCADHM CC(C)(C)C(=O)N[C@@H]1CCCN(CC(=O)[O-])C1 ZINC000108155354 343075374 /nfs/dbraw/zinc/07/53/74/343075374.db2.gz WOABQCRXJXACFG-SECBINFHSA-N -1 3 242.319 0.698 20 0 BCADHM O=c1cc(Cn2cc(C3CC3)nn2)occ1[O-] ZINC000640828630 362061263 /nfs/dbraw/zinc/06/12/63/362061263.db2.gz FXTVMNRIJKJYOT-UHFFFAOYSA-N -1 3 233.227 0.863 20 0 BCADHM O=C([O-])[C@@H]1CSCCN1CCn1cccn1 ZINC000126647051 343170582 /nfs/dbraw/zinc/17/05/82/343170582.db2.gz ZTFGJWSJSQGPNF-VIFPVBQESA-N -1 3 241.316 0.385 20 0 BCADHM O=C(CNC1CC1)Nc1ncccc1[O-] ZINC000125450877 343173625 /nfs/dbraw/zinc/17/36/25/343173625.db2.gz ZYUORNLWAYTMRZ-UHFFFAOYSA-N -1 3 207.233 0.478 20 0 BCADHM C[C@H](O)CNC(=O)c1ccc(O)cc1[O-] ZINC000035205443 343289855 /nfs/dbraw/zinc/28/98/55/343289855.db2.gz ZBVIUJXWACILTA-LURJTMIESA-N -1 3 211.217 0.208 20 0 BCADHM O=S(=O)([N-]CC1CCCC1)c1c[nH]cn1 ZINC000069948053 343294551 /nfs/dbraw/zinc/29/45/51/343294551.db2.gz BNQDZGCUBMPQSU-UHFFFAOYSA-N -1 3 229.305 0.878 20 0 BCADHM O=S(=O)([N-]Cc1ccco1)c1c[nH]cn1 ZINC000069947726 343294561 /nfs/dbraw/zinc/29/45/61/343294561.db2.gz WUZFZBSVVSPJCT-UHFFFAOYSA-N -1 3 227.245 0.481 20 0 BCADHM O=C(c1ccccc1[O-])N1CCn2nncc2C1 ZINC000584061101 343309634 /nfs/dbraw/zinc/30/96/34/343309634.db2.gz ANXIMIFPMVDTJP-UHFFFAOYSA-N -1 3 244.254 0.640 20 0 BCADHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)CC)C(=O)OC ZINC000070238516 343313946 /nfs/dbraw/zinc/31/39/46/343313946.db2.gz HHPZTRKANLPJNE-JGVFFNPUSA-N -1 3 237.321 0.513 20 0 BCADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)CC)C(=O)OC ZINC000070238515 343314150 /nfs/dbraw/zinc/31/41/50/343314150.db2.gz HHPZTRKANLPJNE-HTQZYQBOSA-N -1 3 237.321 0.513 20 0 BCADHM CCOC(=O)CCNC(=O)c1csc(=O)[n-]1 ZINC000348915159 136307670 /nfs/dbraw/zinc/30/76/70/136307670.db2.gz WVVZHYAIQDHMRB-UHFFFAOYSA-N -1 3 244.272 0.532 20 0 BCADHM COC(=O)CCNC(=O)c1ccccc1[O-] ZINC000040418367 343402277 /nfs/dbraw/zinc/40/22/77/343402277.db2.gz JXCWZNWMENSMEV-UHFFFAOYSA-N -1 3 223.228 0.685 20 0 BCADHM Cc1ncsc1CNC(=O)c1c[n-]nn1 ZINC000082432169 343441229 /nfs/dbraw/zinc/44/12/29/343441229.db2.gz SUPJGVPTJZGSDL-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM Cc1ncsc1CNC(=O)c1cnn[n-]1 ZINC000082432169 343441231 /nfs/dbraw/zinc/44/12/31/343441231.db2.gz SUPJGVPTJZGSDL-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM Cc1ncsc1CNC(=O)c1cn[n-]n1 ZINC000082432169 343441233 /nfs/dbraw/zinc/44/12/33/343441233.db2.gz SUPJGVPTJZGSDL-UHFFFAOYSA-N -1 3 223.261 0.500 20 0 BCADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1cnn[n-]1 ZINC000350487240 136361343 /nfs/dbraw/zinc/36/13/43/136361343.db2.gz RUXVOILMFWRDSS-UHFFFAOYSA-N -1 3 243.226 0.300 20 0 BCADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1c[n-]nn1 ZINC000350487240 136361344 /nfs/dbraw/zinc/36/13/44/136361344.db2.gz RUXVOILMFWRDSS-UHFFFAOYSA-N -1 3 243.226 0.300 20 0 BCADHM O=C(Nc1ccc2c(c1)C(=O)NC2)c1cn[n-]n1 ZINC000350487240 136361345 /nfs/dbraw/zinc/36/13/45/136361345.db2.gz RUXVOILMFWRDSS-UHFFFAOYSA-N -1 3 243.226 0.300 20 0 BCADHM CC(=O)c1cn([C@@H](C)c2nc(C)cc(=O)[n-]2)nn1 ZINC000641145635 362238223 /nfs/dbraw/zinc/23/82/23/362238223.db2.gz LVKQXMOMVPWGCB-ZETCQYMHSA-N -1 3 247.258 0.894 20 0 BCADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1CO ZINC000044382461 343499223 /nfs/dbraw/zinc/49/92/23/343499223.db2.gz PIMQAYFQQMRQOQ-SNVBAGLBSA-N -1 3 221.256 0.989 20 0 BCADHM Cc1[nH]nc(C(=O)N(C)CC2CN(C)C2)c1[O-] ZINC000618192729 343586793 /nfs/dbraw/zinc/58/67/93/343586793.db2.gz YKPFIBMJDLQTSJ-UHFFFAOYSA-N -1 3 238.291 0.057 20 0 BCADHM CO[C@H](C)CN1C[C@H](OC)C[C@]1(C)C(=O)[O-] ZINC000634694252 343619077 /nfs/dbraw/zinc/61/90/77/343619077.db2.gz DHFYMRNFEUUQPX-FXPVBKGRSA-N -1 3 231.292 0.585 20 0 BCADHM CO[C@H]1CN(CCOC(C)C)[C@@](C)(C(=O)[O-])C1 ZINC000634695704 343623588 /nfs/dbraw/zinc/62/35/88/343623588.db2.gz YHQPRDXLQWNMJG-ZYHUDNBSSA-N -1 3 245.319 0.975 20 0 BCADHM CN(CCC(=O)[O-])CCn1cc(Cl)cn1 ZINC000312889160 343661706 /nfs/dbraw/zinc/66/17/06/343661706.db2.gz IUCIMRBPQSLGEC-UHFFFAOYSA-N -1 3 231.683 0.943 20 0 BCADHM CC[C@@H](NC(=O)CN1[C@H](C)CC[C@H]1C)C(=O)[O-] ZINC000584208711 343773972 /nfs/dbraw/zinc/77/39/72/343773972.db2.gz KAHXDTCDYZEPFD-OPRDCNLKSA-N -1 3 242.319 0.839 20 0 BCADHM CCCS(=O)(=O)[N-][C@@H](CC)C(=O)OC ZINC000090184052 343750099 /nfs/dbraw/zinc/75/00/99/343750099.db2.gz VLDIXGBTRBPLBQ-ZETCQYMHSA-N -1 3 223.294 0.267 20 0 BCADHM CC[C@H]1CN(CCOCC(=O)[O-])CCS1 ZINC000584118924 343761071 /nfs/dbraw/zinc/76/10/71/343761071.db2.gz QGZWYSDAYBYWQJ-VIFPVBQESA-N -1 3 233.333 0.915 20 0 BCADHM O=C(NC1CCOCC1)c1cc(=O)[n-]cn1 ZINC000624417341 343780685 /nfs/dbraw/zinc/78/06/85/343780685.db2.gz LOPLFALMILVCIS-UHFFFAOYSA-N -1 3 223.232 0.091 20 0 BCADHM COc1ccc(NC(=O)Cn2cnnn2)c([O-])c1 ZINC000442700260 537823981 /nfs/dbraw/zinc/82/39/81/537823981.db2.gz PLQVRUASLLKRDX-UHFFFAOYSA-N -1 3 249.230 0.026 20 0 BCADHM O=C(NC[C@H]1CCCOC1)c1cc(=O)[n-]cn1 ZINC000624468057 343894401 /nfs/dbraw/zinc/89/44/01/343894401.db2.gz QMYSJYYHNATWRS-MRVPVSSYSA-N -1 3 237.259 0.339 20 0 BCADHM O=C(CC1CCC1)NCCCc1cc(=O)[nH][n-]1 ZINC000647717152 537832978 /nfs/dbraw/zinc/83/29/78/537832978.db2.gz AZJOTKHPCSOOCE-UHFFFAOYSA-N -1 3 237.303 0.949 20 0 BCADHM CC1(C)C[C@@H]1CNC(=O)c1cc(=O)[n-]cn1 ZINC000625524439 343918361 /nfs/dbraw/zinc/91/83/61/343918361.db2.gz NKNZORCPJTXDIY-SSDOTTSWSA-N -1 3 221.260 0.958 20 0 BCADHM COCCS(=O)(=O)[N-]CC(=O)C1CCCC1 ZINC000625547787 343931454 /nfs/dbraw/zinc/93/14/54/343931454.db2.gz QFTWTEBFRQBPKI-UHFFFAOYSA-N -1 3 249.332 0.312 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C12CCC2)c1cc(=O)[n-]cn1 ZINC000628111272 343964854 /nfs/dbraw/zinc/96/48/54/343964854.db2.gz NVGSDBVYNAKYRQ-IUCAKERBSA-N -1 3 249.270 0.216 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CCN(C)C(=O)C1 ZINC000625763784 344067620 /nfs/dbraw/zinc/06/76/20/344067620.db2.gz MCPJBHMTMJDRDU-UHFFFAOYSA-N -1 3 248.282 0.615 20 0 BCADHM CN(C)Cc1ccnc([N-]S(C)(=O)=O)c1 ZINC000130110709 344115466 /nfs/dbraw/zinc/11/54/66/344115466.db2.gz UFBVSKGCIWUNIG-UHFFFAOYSA-N -1 3 229.305 0.515 20 0 BCADHM CO[C@H](C)C[N-]S(=O)(=O)c1conc1C ZINC000632261729 344239937 /nfs/dbraw/zinc/23/99/37/344239937.db2.gz XXDNEEGMOCXJEJ-ZCFIWIBFSA-N -1 3 234.277 0.296 20 0 BCADHM C[C@@H]1C[C@H](O)CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000385112383 344330998 /nfs/dbraw/zinc/33/09/98/344330998.db2.gz WACXUNRDJZCEEY-APPZFPTMSA-N -1 3 246.270 0.553 20 0 BCADHM CN(Cc1ccon1)C(=O)Cc1cncc([O-])c1 ZINC000574889839 344386947 /nfs/dbraw/zinc/38/69/47/344386947.db2.gz HDROTEPMSJLIBC-UHFFFAOYSA-N -1 3 247.254 0.976 20 0 BCADHM CC1(C)CC[C@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000622868610 344436494 /nfs/dbraw/zinc/43/64/94/344436494.db2.gz UBUAQZRUWPXAJL-YFKPBYRVSA-N -1 3 237.263 0.278 20 0 BCADHM CC1(C)CC[C@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000622868610 344436496 /nfs/dbraw/zinc/43/64/96/344436496.db2.gz UBUAQZRUWPXAJL-YFKPBYRVSA-N -1 3 237.263 0.278 20 0 BCADHM CC1(C)CC[C@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000622868610 344436498 /nfs/dbraw/zinc/43/64/98/344436498.db2.gz UBUAQZRUWPXAJL-YFKPBYRVSA-N -1 3 237.263 0.278 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)CC1CCCCC1 ZINC000042520802 344457016 /nfs/dbraw/zinc/45/70/16/344457016.db2.gz QCCXSLAZFVEVPC-UHFFFAOYSA-N -1 3 249.332 0.659 20 0 BCADHM CC(C)[C@](C)(O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000625930314 344571359 /nfs/dbraw/zinc/57/13/59/344571359.db2.gz NJSFYAYELCYNRW-LLVKDONJSA-N -1 3 239.275 0.319 20 0 BCADHM C[C@@H]1CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000625914960 344562613 /nfs/dbraw/zinc/56/26/13/344562613.db2.gz CDELCQFIMDHATM-SSDOTTSWSA-N -1 3 207.233 0.807 20 0 BCADHM CCC[C@](C)(O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000625928969 344569305 /nfs/dbraw/zinc/56/93/05/344569305.db2.gz DSRAKZMOKNUYMM-NSHDSACASA-N -1 3 239.275 0.463 20 0 BCADHM CCCCOCCNC(=O)c1c[n-]nn1 ZINC000049387741 344640364 /nfs/dbraw/zinc/64/03/64/344640364.db2.gz NMVAXZOKFDPCOT-UHFFFAOYSA-N -1 3 212.253 0.351 20 0 BCADHM CCCCOCCNC(=O)c1cnn[n-]1 ZINC000049387741 344640366 /nfs/dbraw/zinc/64/03/66/344640366.db2.gz NMVAXZOKFDPCOT-UHFFFAOYSA-N -1 3 212.253 0.351 20 0 BCADHM CCCCOCCNC(=O)c1cn[n-]n1 ZINC000049387741 344640368 /nfs/dbraw/zinc/64/03/68/344640368.db2.gz NMVAXZOKFDPCOT-UHFFFAOYSA-N -1 3 212.253 0.351 20 0 BCADHM CC[C@@H]1CN(c2ccncc2C(=O)[O-])C[C@@H]1O ZINC000400473012 344733805 /nfs/dbraw/zinc/73/38/05/344733805.db2.gz YRMGVLRKWGVLHU-KCJUWKMLSA-N -1 3 236.271 0.987 20 0 BCADHM C[C@H](CCCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626063053 344708990 /nfs/dbraw/zinc/70/89/90/344708990.db2.gz PNWXNVBFLUFBKP-SSDOTTSWSA-N -1 3 225.248 0.073 20 0 BCADHM CC(C)[C@@H](CCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626070624 344714171 /nfs/dbraw/zinc/71/41/71/344714171.db2.gz WHTWHUOFCYBYNV-MRVPVSSYSA-N -1 3 239.275 0.319 20 0 BCADHM CC[C@H](O)CSCCc1nnn[n-]1 ZINC000603339816 349916841 /nfs/dbraw/zinc/91/68/41/349916841.db2.gz GGSBONKZSGOVGJ-LURJTMIESA-N -1 3 202.283 0.246 20 0 BCADHM CC[C@H](O)CSCCc1nn[n-]n1 ZINC000603339816 349916843 /nfs/dbraw/zinc/91/68/43/349916843.db2.gz GGSBONKZSGOVGJ-LURJTMIESA-N -1 3 202.283 0.246 20 0 BCADHM Cn1cc(CCSCCc2nnn[n-]2)cn1 ZINC000603340129 349917209 /nfs/dbraw/zinc/91/72/09/349917209.db2.gz UIDVIXSORJHFJF-UHFFFAOYSA-N -1 3 238.320 0.452 20 0 BCADHM Cn1cc(CCSCCc2nn[n-]n2)cn1 ZINC000603340129 349917211 /nfs/dbraw/zinc/91/72/11/349917211.db2.gz UIDVIXSORJHFJF-UHFFFAOYSA-N -1 3 238.320 0.452 20 0 BCADHM CCC(=O)[C@H](C)SCCc1nnn[n-]1 ZINC000603339992 349917564 /nfs/dbraw/zinc/91/75/64/349917564.db2.gz QUBWALXGODMRJS-LURJTMIESA-N -1 3 214.294 0.843 20 0 BCADHM CCC(=O)[C@H](C)SCCc1nn[n-]n1 ZINC000603339992 349917567 /nfs/dbraw/zinc/91/75/67/349917567.db2.gz QUBWALXGODMRJS-LURJTMIESA-N -1 3 214.294 0.843 20 0 BCADHM C(CSCCc1nnn[n-]1)OCC1CC1 ZINC000603340157 349917656 /nfs/dbraw/zinc/91/76/56/349917656.db2.gz VABDAUGLGHQTKH-UHFFFAOYSA-N -1 3 228.321 0.902 20 0 BCADHM C(CSCCc1nn[n-]n1)OCC1CC1 ZINC000603340157 349917658 /nfs/dbraw/zinc/91/76/58/349917658.db2.gz VABDAUGLGHQTKH-UHFFFAOYSA-N -1 3 228.321 0.902 20 0 BCADHM COC(C)(C)C(=O)CSCCc1nnn[n-]1 ZINC000603341750 349918547 /nfs/dbraw/zinc/91/85/47/349918547.db2.gz QWLKRKAOTZOVBF-UHFFFAOYSA-N -1 3 244.320 0.470 20 0 BCADHM COC(C)(C)C(=O)CSCCc1nn[n-]n1 ZINC000603341750 349918550 /nfs/dbraw/zinc/91/85/50/349918550.db2.gz QWLKRKAOTZOVBF-UHFFFAOYSA-N -1 3 244.320 0.470 20 0 BCADHM CO[C@@]1(C)C[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000628148627 344833604 /nfs/dbraw/zinc/83/36/04/344833604.db2.gz VICZVTIXQIFVOW-XCBNKYQSSA-N -1 3 223.232 0.089 20 0 BCADHM C[C@@H]1CN(Cc2ccno2)C[C@H]1C(=O)[O-] ZINC000235324031 344886743 /nfs/dbraw/zinc/88/67/43/344886743.db2.gz PSVUXXIHICFDLN-VXNVDRBHSA-N -1 3 210.233 0.827 20 0 BCADHM Cc1nn2c(nnc2SCCF)[n-]c1=O ZINC000078972530 344925470 /nfs/dbraw/zinc/92/54/70/344925470.db2.gz AZEFXEZPPLGOBR-UHFFFAOYSA-N -1 3 229.240 0.595 20 0 BCADHM O=C(NCC[C@H]1CC1(F)F)c1cc(=O)[n-]cn1 ZINC000628193120 344947042 /nfs/dbraw/zinc/94/70/42/344947042.db2.gz YWIUTZLZTXEXNO-LURJTMIESA-N -1 3 243.213 0.957 20 0 BCADHM Clc1cncnc1SCCc1nnn[n-]1 ZINC000641638535 362566174 /nfs/dbraw/zinc/56/61/74/362566174.db2.gz XTGPYWZOKGOFCU-UHFFFAOYSA-N -1 3 242.695 0.978 20 0 BCADHM Clc1cncnc1SCCc1nn[n-]n1 ZINC000641638535 362566178 /nfs/dbraw/zinc/56/61/78/362566178.db2.gz XTGPYWZOKGOFCU-UHFFFAOYSA-N -1 3 242.695 0.978 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCO[C@H](C(F)F)CC1 ZINC000635018369 345222142 /nfs/dbraw/zinc/22/21/42/345222142.db2.gz GQUNHKWLWITMDD-BQBZGAKWSA-N -1 3 223.219 0.816 20 0 BCADHM CSc1cc(Cc2nnn[n-]2)ncn1 ZINC000408499623 345387833 /nfs/dbraw/zinc/38/78/33/345387833.db2.gz NADCOTQMDQKGNR-UHFFFAOYSA-N -1 3 208.250 0.302 20 0 BCADHM CSc1cc(Cc2nn[n-]n2)ncn1 ZINC000408499623 345387835 /nfs/dbraw/zinc/38/78/35/345387835.db2.gz NADCOTQMDQKGNR-UHFFFAOYSA-N -1 3 208.250 0.302 20 0 BCADHM c1cc(-c2nnn[n-]2)c(N2CCCC2)cn1 ZINC000408494434 345377707 /nfs/dbraw/zinc/37/77/07/345377707.db2.gz QHYAXQLCSPJHDV-UHFFFAOYSA-N -1 3 216.248 0.862 20 0 BCADHM c1cc(-c2nn[n-]n2)c(N2CCCC2)cn1 ZINC000408494434 345377710 /nfs/dbraw/zinc/37/77/10/345377710.db2.gz QHYAXQLCSPJHDV-UHFFFAOYSA-N -1 3 216.248 0.862 20 0 BCADHM CCCNC(=O)CSCCc1nnn[n-]1 ZINC000603336144 349927033 /nfs/dbraw/zinc/92/70/33/349927033.db2.gz BKEOUWSNZFKPEZ-UHFFFAOYSA-N -1 3 229.309 0.002 20 0 BCADHM CCCNC(=O)CSCCc1nn[n-]n1 ZINC000603336144 349927038 /nfs/dbraw/zinc/92/70/38/349927038.db2.gz BKEOUWSNZFKPEZ-UHFFFAOYSA-N -1 3 229.309 0.002 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H](C)CC(N)=O)n1 ZINC000158896410 345385789 /nfs/dbraw/zinc/38/57/89/345385789.db2.gz UARCBNLNLFFDLK-QMMMGPOBSA-N -1 3 223.276 0.449 20 0 BCADHM Cn1ccnc1CSCCc1nnn[n-]1 ZINC000603337606 349928328 /nfs/dbraw/zinc/92/83/28/349928328.db2.gz AVJLHLOUPQELKA-UHFFFAOYSA-N -1 3 224.293 0.409 20 0 BCADHM Cn1ccnc1CSCCc1nn[n-]n1 ZINC000603337606 349928332 /nfs/dbraw/zinc/92/83/32/349928332.db2.gz AVJLHLOUPQELKA-UHFFFAOYSA-N -1 3 224.293 0.409 20 0 BCADHM CCOC(=O)CCCSCCc1nnn[n-]1 ZINC000603336992 349927337 /nfs/dbraw/zinc/92/73/37/349927337.db2.gz ICIYGKMUJJSEFR-UHFFFAOYSA-N -1 3 244.320 0.819 20 0 BCADHM CCOC(=O)CCCSCCc1nn[n-]n1 ZINC000603336992 349927342 /nfs/dbraw/zinc/92/73/42/349927342.db2.gz ICIYGKMUJJSEFR-UHFFFAOYSA-N -1 3 244.320 0.819 20 0 BCADHM CO[C@H](C)CSCCc1nnn[n-]1 ZINC000603337224 349928391 /nfs/dbraw/zinc/92/83/91/349928391.db2.gz COXMWQSCQXXDSS-ZCFIWIBFSA-N -1 3 202.283 0.510 20 0 BCADHM CO[C@H](C)CSCCc1nn[n-]n1 ZINC000603337224 349928395 /nfs/dbraw/zinc/92/83/95/349928395.db2.gz COXMWQSCQXXDSS-ZCFIWIBFSA-N -1 3 202.283 0.510 20 0 BCADHM CO[C@@H](C)CSCCc1nnn[n-]1 ZINC000603337217 349928047 /nfs/dbraw/zinc/92/80/47/349928047.db2.gz COXMWQSCQXXDSS-LURJTMIESA-N -1 3 202.283 0.510 20 0 BCADHM CO[C@@H](C)CSCCc1nn[n-]n1 ZINC000603337217 349928051 /nfs/dbraw/zinc/92/80/51/349928051.db2.gz COXMWQSCQXXDSS-LURJTMIESA-N -1 3 202.283 0.510 20 0 BCADHM Cn1cc(CSCCc2nnn[n-]2)cn1 ZINC000603338654 349929566 /nfs/dbraw/zinc/92/95/66/349929566.db2.gz TZKTVXVREUSXIU-UHFFFAOYSA-N -1 3 224.293 0.409 20 0 BCADHM Cn1cc(CSCCc2nn[n-]n2)cn1 ZINC000603338654 349929567 /nfs/dbraw/zinc/92/95/67/349929567.db2.gz TZKTVXVREUSXIU-UHFFFAOYSA-N -1 3 224.293 0.409 20 0 BCADHM O=C(CSCCc1nnn[n-]1)N1CCCC1 ZINC000603339508 349929934 /nfs/dbraw/zinc/92/99/34/349929934.db2.gz ZHPSTQPHDGVNJW-UHFFFAOYSA-N -1 3 241.320 0.098 20 0 BCADHM O=C(CSCCc1nn[n-]n1)N1CCCC1 ZINC000603339508 349929939 /nfs/dbraw/zinc/92/99/39/349929939.db2.gz ZHPSTQPHDGVNJW-UHFFFAOYSA-N -1 3 241.320 0.098 20 0 BCADHM Cc1cc(CSCCc2nnn[n-]2)nn1C ZINC000603338580 349928985 /nfs/dbraw/zinc/92/89/85/349928985.db2.gz MIBGZKPRAAISAP-UHFFFAOYSA-N -1 3 238.320 0.718 20 0 BCADHM Cc1cc(CSCCc2nn[n-]n2)nn1C ZINC000603338580 349928988 /nfs/dbraw/zinc/92/89/88/349928988.db2.gz MIBGZKPRAAISAP-UHFFFAOYSA-N -1 3 238.320 0.718 20 0 BCADHM Cc1cc(C(=O)[N-]c2nc[nH]n2)ns1 ZINC000170241955 345533558 /nfs/dbraw/zinc/53/35/58/345533558.db2.gz HAMVPGFRXHPMEI-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM O=C(C[C@H]1CCCCO1)NN=c1cccn[n-]1 ZINC000088381295 345549766 /nfs/dbraw/zinc/54/97/66/345549766.db2.gz WFQXFSIVWOMFDN-SECBINFHSA-N -1 3 236.275 0.879 20 0 BCADHM O=c1[n-]c(CN2C[C@@H]3CCCC[C@H]3C2)n[nH]1 ZINC000091589822 345600596 /nfs/dbraw/zinc/60/05/96/345600596.db2.gz JDVUCBFDUJHFKZ-IUCAKERBSA-N -1 3 222.292 0.720 20 0 BCADHM CCC(CC)(CNC(=O)[C@H](N)C(C)C)C(=O)[O-] ZINC000137678060 345678376 /nfs/dbraw/zinc/67/83/76/345678376.db2.gz WCHYDRSEQXHLGI-SECBINFHSA-N -1 3 244.335 0.977 20 0 BCADHM CO[C@H](C)c1nc(Cc2nnn[n-]2)cs1 ZINC000095156281 345682375 /nfs/dbraw/zinc/68/23/75/345682375.db2.gz YXIGAUQEOPEPTH-RXMQYKEDSA-N -1 3 225.277 0.954 20 0 BCADHM CO[C@H](C)c1nc(Cc2nn[n-]n2)cs1 ZINC000095156281 345682376 /nfs/dbraw/zinc/68/23/76/345682376.db2.gz YXIGAUQEOPEPTH-RXMQYKEDSA-N -1 3 225.277 0.954 20 0 BCADHM CON(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000231502886 345752396 /nfs/dbraw/zinc/75/23/96/345752396.db2.gz GNVDYAFYHGLFFK-ARJAWSKDSA-N -1 3 208.217 0.820 20 0 BCADHM COCC[N-]S(=O)(=O)c1cc(C)cs1 ZINC000146913529 345715452 /nfs/dbraw/zinc/71/54/52/345715452.db2.gz MKESQACTJWBIDW-UHFFFAOYSA-N -1 3 235.330 0.981 20 0 BCADHM CCC(CC)CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000152709280 537907473 /nfs/dbraw/zinc/90/74/73/537907473.db2.gz YBKDELUHFVINGX-QMMMGPOBSA-N -1 3 241.291 0.137 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C1)c1ccc(O)cc1[O-] ZINC000620874670 345900452 /nfs/dbraw/zinc/90/04/52/345900452.db2.gz LTESSAUMVURBOC-FKQCQYRASA-N -1 3 223.228 0.351 20 0 BCADHM C[C@@H](CN(C)c1cccnn1)c1nnn[n-]1 ZINC000095226213 346031686 /nfs/dbraw/zinc/03/16/86/346031686.db2.gz WXFQRMDSCUHCDV-ZETCQYMHSA-N -1 3 219.252 0.230 20 0 BCADHM C[C@@H](CN(C)c1cccnn1)c1nn[n-]n1 ZINC000095226213 346031690 /nfs/dbraw/zinc/03/16/90/346031690.db2.gz WXFQRMDSCUHCDV-ZETCQYMHSA-N -1 3 219.252 0.230 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C(C)C)C2 ZINC000636284068 346378148 /nfs/dbraw/zinc/37/81/48/346378148.db2.gz STQBSKDBKOQAQW-UHFFFAOYSA-N -1 3 221.260 0.989 20 0 BCADHM CO[C@H](C)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636283405 346378349 /nfs/dbraw/zinc/37/83/49/346378349.db2.gz JHSIIABMLZIKSM-ZCFIWIBFSA-N -1 3 237.259 0.368 20 0 BCADHM CC(C)(C)OCCCNC(=O)c1c[n-]nn1 ZINC000618337148 346446201 /nfs/dbraw/zinc/44/62/01/346446201.db2.gz IMNBWCNNEDSRBT-UHFFFAOYSA-N -1 3 226.280 0.740 20 0 BCADHM CC(C)(C)OCCCNC(=O)c1cnn[n-]1 ZINC000618337148 346446203 /nfs/dbraw/zinc/44/62/03/346446203.db2.gz IMNBWCNNEDSRBT-UHFFFAOYSA-N -1 3 226.280 0.740 20 0 BCADHM CC(C)(C)OCCCNC(=O)c1cn[n-]n1 ZINC000618337148 346446206 /nfs/dbraw/zinc/44/62/06/346446206.db2.gz IMNBWCNNEDSRBT-UHFFFAOYSA-N -1 3 226.280 0.740 20 0 BCADHM Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](C)O ZINC000184837861 179111153 /nfs/dbraw/zinc/11/11/53/179111153.db2.gz VLFLCVPFMGWLOQ-QMMMGPOBSA-N -1 3 247.291 0.793 20 0 BCADHM COc1cccc(CNC2(C(=O)[O-])CC2)n1 ZINC000203650443 346646044 /nfs/dbraw/zinc/64/60/44/346646044.db2.gz JJVVCIKHMWUTJM-UHFFFAOYSA-N -1 3 222.244 0.797 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@H](C)NC(N)=O ZINC000274898078 179161298 /nfs/dbraw/zinc/16/12/98/179161298.db2.gz MDIWYXBAGIUIIZ-ZETCQYMHSA-N -1 3 237.259 0.696 20 0 BCADHM Cc1cccc([O-])c1NC(=O)C1(NC(N)=O)CC1 ZINC000352688919 179161329 /nfs/dbraw/zinc/16/13/29/179161329.db2.gz YBKJTHCWOVYXSS-UHFFFAOYSA-N -1 3 249.270 0.840 20 0 BCADHM CC(C)N(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC000353478973 187372842 /nfs/dbraw/zinc/37/28/42/187372842.db2.gz NCWRQPIFDPQDOX-UHFFFAOYSA-N -1 3 210.281 0.481 20 0 BCADHM CC(=O)NCCN(C)C(=O)c1ccccc1[O-] ZINC000308311537 347350029 /nfs/dbraw/zinc/35/00/29/347350029.db2.gz RTJKIDSBNUOICT-UHFFFAOYSA-N -1 3 236.271 0.600 20 0 BCADHM O=C([O-])CN(CCO)Cc1ccc(F)c(F)c1 ZINC000388415562 347395614 /nfs/dbraw/zinc/39/56/14/347395614.db2.gz BUTGEGLVNNPPNQ-UHFFFAOYSA-N -1 3 245.225 0.844 20 0 BCADHM CNC(=O)c1ccc(C(=O)[N-]c2cnoc2)cn1 ZINC000590707671 347498224 /nfs/dbraw/zinc/49/82/24/347498224.db2.gz OUSANYXEAJHURV-UHFFFAOYSA-N -1 3 246.226 0.682 20 0 BCADHM COC1CC(CCNC(=O)c2c[n-]nn2)C1 ZINC000617027317 347594217 /nfs/dbraw/zinc/59/42/17/347594217.db2.gz HXDNKDSJPITCGC-UHFFFAOYSA-N -1 3 224.264 0.350 20 0 BCADHM COC1CC(CCNC(=O)c2cnn[n-]2)C1 ZINC000617027317 347594218 /nfs/dbraw/zinc/59/42/18/347594218.db2.gz HXDNKDSJPITCGC-UHFFFAOYSA-N -1 3 224.264 0.350 20 0 BCADHM COC1CC(CCNC(=O)c2cn[n-]n2)C1 ZINC000617027317 347594221 /nfs/dbraw/zinc/59/42/21/347594221.db2.gz HXDNKDSJPITCGC-UHFFFAOYSA-N -1 3 224.264 0.350 20 0 BCADHM NC(=O)c1cnc([N-]C(=O)c2cocn2)s1 ZINC000591665762 347683631 /nfs/dbraw/zinc/68/36/31/347683631.db2.gz KNQUBTNCGWASQQ-UHFFFAOYSA-N -1 3 238.228 0.482 20 0 BCADHM O=C(NC[C@@H](O)C1CC1)c1cccc2nn[n-]c21 ZINC000580692681 365909061 /nfs/dbraw/zinc/90/90/61/365909061.db2.gz NBINBJUYDWQLDB-SNVBAGLBSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(NC[C@@H](O)C1CC1)c1cccc2[n-]nnc21 ZINC000580692681 365909071 /nfs/dbraw/zinc/90/90/71/365909071.db2.gz NBINBJUYDWQLDB-SNVBAGLBSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(NC[C@@H](O)C1CC1)c1cccc2n[n-]nc21 ZINC000580692681 365909075 /nfs/dbraw/zinc/90/90/75/365909075.db2.gz NBINBJUYDWQLDB-SNVBAGLBSA-N -1 3 246.270 0.459 20 0 BCADHM CCN(CCSC)Cc1nc(=O)n(C)[n-]1 ZINC000592205017 347756724 /nfs/dbraw/zinc/75/67/24/347756724.db2.gz WDICUJFWFDRLJA-UHFFFAOYSA-N -1 3 230.337 0.293 20 0 BCADHM CCCS(=O)(=O)[N-][C@H](CCF)C(=O)OC ZINC000593634563 347918496 /nfs/dbraw/zinc/91/84/96/347918496.db2.gz WTTZWLUHLRNWHH-SSDOTTSWSA-N -1 3 241.284 0.217 20 0 BCADHM COC(=O)[C@@]1([N-]S(C)(=O)=O)CC[C@@H](C)CC1 ZINC000594831184 348117388 /nfs/dbraw/zinc/11/73/88/348117388.db2.gz HIUMZUXYTJOBPK-CZMCAQCFSA-N -1 3 249.332 0.658 20 0 BCADHM O=c1[n-]nc(CN2CCN3CCC[C@@H]3C2)s1 ZINC000377753596 187388760 /nfs/dbraw/zinc/38/87/60/187388760.db2.gz IMCDPSVQHOAEEQ-MRVPVSSYSA-N -1 3 240.332 0.524 20 0 BCADHM CC[C@@H](NC(=O)CN(CC)CC)C(=O)[O-] ZINC000308850896 323180006 /nfs/dbraw/zinc/18/00/06/323180006.db2.gz OHNYVRVJCZTSGK-MRVPVSSYSA-N -1 3 216.281 0.308 20 0 BCADHM CN(CC(=O)Nc1ncccc1[O-])C(=O)C1CC1 ZINC000603544822 349993707 /nfs/dbraw/zinc/99/37/07/349993707.db2.gz ITJCPKOOHAPJFM-UHFFFAOYSA-N -1 3 249.270 0.594 20 0 BCADHM C[C@@H](O)[C@@H](CO)NCc1cccc([O-])c1Cl ZINC000419798671 192145037 /nfs/dbraw/zinc/14/50/37/192145037.db2.gz XYFMOEKVWDDVKR-VXNVDRBHSA-N -1 3 245.706 0.877 20 0 BCADHM CCOC(=O)c1cc(-c2cncn2C)[n-]n1 ZINC000596646105 348604390 /nfs/dbraw/zinc/60/43/90/348604390.db2.gz NEJRPWYGCYSVKD-UHFFFAOYSA-N -1 3 220.232 0.987 20 0 BCADHM COC(=O)CN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000598652017 349011825 /nfs/dbraw/zinc/01/18/25/349011825.db2.gz CQSKIWWLJPTCNL-UHFFFAOYSA-N -1 3 242.206 0.171 20 0 BCADHM C[C@@H](NC1CC1)C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000383579040 349062610 /nfs/dbraw/zinc/06/26/10/349062610.db2.gz VQNAGGGMQJLUDO-HTQZYQBOSA-N -1 3 240.303 0.591 20 0 BCADHM CCC(CC)CNC(=O)CN1CC(=O)[N-]C1=O ZINC000264928544 349331160 /nfs/dbraw/zinc/33/11/60/349331160.db2.gz MROJMTWZQLKCDY-UHFFFAOYSA-N -1 3 241.291 0.091 20 0 BCADHM CC(C)C[C@H](CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626261753 350035193 /nfs/dbraw/zinc/03/51/93/350035193.db2.gz JEFYGBNHSIWAKZ-MRVPVSSYSA-N -1 3 239.275 0.319 20 0 BCADHM CCO[C@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000603808999 350036512 /nfs/dbraw/zinc/03/65/12/350036512.db2.gz MFWWJLPSXWCWDG-BDAKNGLRSA-N -1 3 241.291 0.040 20 0 BCADHM CCO[C@@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000603809001 350036618 /nfs/dbraw/zinc/03/66/18/350036618.db2.gz MFWWJLPSXWCWDG-IUCAKERBSA-N -1 3 241.291 0.040 20 0 BCADHM CCO[C@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000603809002 350036807 /nfs/dbraw/zinc/03/68/07/350036807.db2.gz MFWWJLPSXWCWDG-RKDXNWHRSA-N -1 3 241.291 0.040 20 0 BCADHM N[C@H](CC1CCCCC1)C(=O)NCC(=O)[O-] ZINC000304220185 350145067 /nfs/dbraw/zinc/14/50/67/350145067.db2.gz HJGFSGULXOEAGB-SECBINFHSA-N -1 3 228.292 0.485 20 0 BCADHM CSCCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000427148583 191055413 /nfs/dbraw/zinc/05/54/13/191055413.db2.gz YGXGEZMYCANVFE-UHFFFAOYSA-N -1 3 243.288 0.888 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)CO)s1 ZINC000229629145 180171697 /nfs/dbraw/zinc/17/16/97/180171697.db2.gz DZUAOHDMTXBNJP-RXMQYKEDSA-N -1 3 236.318 0.111 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCOC2)s1 ZINC000339047165 180172846 /nfs/dbraw/zinc/17/28/46/180172846.db2.gz GHXXGEOCSKZHHL-SSDOTTSWSA-N -1 3 248.329 0.519 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-]C[C@@H](C)O)s1 ZINC000218911034 180172915 /nfs/dbraw/zinc/17/29/15/180172915.db2.gz LJASTSIWLCGERK-RXMQYKEDSA-N -1 3 236.318 0.111 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)N[C@H](C)CC(=O)[O-] ZINC000427728994 191089840 /nfs/dbraw/zinc/08/98/40/191089840.db2.gz TZNRLLQBJFRBLE-NXEZZACHSA-N -1 3 242.319 0.840 20 0 BCADHM Cc1ncoc1C(=O)[N-]c1nc(N(C)C)n[nH]1 ZINC000340987040 180300810 /nfs/dbraw/zinc/30/08/10/180300810.db2.gz XENANORFCHSUCW-UHFFFAOYSA-N -1 3 236.235 0.419 20 0 BCADHM Cc1nn(C)c(N)c1C(=O)Nc1ncccc1[O-] ZINC000354611054 180355527 /nfs/dbraw/zinc/35/55/27/180355527.db2.gz HTEQTTBUAJHYJY-UHFFFAOYSA-N -1 3 247.258 0.664 20 0 BCADHM CC(C)OCCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948804 350470260 /nfs/dbraw/zinc/47/02/60/350470260.db2.gz RBXAXRIKXSGESF-UHFFFAOYSA-N -1 3 247.320 0.503 20 0 BCADHM Cc1cc(C[N-]S(=O)(=O)c2c[nH]cn2)on1 ZINC000069948899 350472341 /nfs/dbraw/zinc/47/23/41/350472341.db2.gz DLNHLAMKGROKGP-UHFFFAOYSA-N -1 3 242.260 0.185 20 0 BCADHM CC[C@H](NC(=O)Cc1cncc([O-])c1)[C@H](C)O ZINC000577507235 365972853 /nfs/dbraw/zinc/97/28/53/365972853.db2.gz UEZZONUNSQJVAL-KWQFWETISA-N -1 3 238.287 0.605 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@H](CO)C1 ZINC000051885413 191113424 /nfs/dbraw/zinc/11/34/24/191113424.db2.gz DGTURBXSIXTKKK-QMMMGPOBSA-N -1 3 246.270 0.412 20 0 BCADHM c1ncn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000095232884 350656263 /nfs/dbraw/zinc/65/62/63/350656263.db2.gz KXAZYSRGJGOUPO-UHFFFAOYSA-N -1 3 213.204 0.447 20 0 BCADHM c1ncn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000095232884 350656268 /nfs/dbraw/zinc/65/62/68/350656268.db2.gz KXAZYSRGJGOUPO-UHFFFAOYSA-N -1 3 213.204 0.447 20 0 BCADHM O=C1OCCN1c1cccc(-c2nnn[n-]2)c1 ZINC000095221395 350656509 /nfs/dbraw/zinc/65/65/09/350656509.db2.gz JPCFIWRDDVTRGF-UHFFFAOYSA-N -1 3 231.215 0.823 20 0 BCADHM O=C1OCCN1c1cccc(-c2nn[n-]n2)c1 ZINC000095221395 350656511 /nfs/dbraw/zinc/65/65/11/350656511.db2.gz JPCFIWRDDVTRGF-UHFFFAOYSA-N -1 3 231.215 0.823 20 0 BCADHM c1ccc(-c2nnn[n-]2)c(CN2CCOCC2)c1 ZINC000095237479 350658361 /nfs/dbraw/zinc/65/83/61/350658361.db2.gz LGZXAQVBCPPRLX-UHFFFAOYSA-N -1 3 245.286 0.699 20 0 BCADHM c1ccc(-c2nn[n-]n2)c(CN2CCOCC2)c1 ZINC000095237479 350658364 /nfs/dbraw/zinc/65/83/64/350658364.db2.gz LGZXAQVBCPPRLX-UHFFFAOYSA-N -1 3 245.286 0.699 20 0 BCADHM Cn1c([N-]C(=O)c2cocn2)nnc1C1CC1 ZINC000617288089 350681643 /nfs/dbraw/zinc/68/16/43/350681643.db2.gz DPGPVLGJPMIWDP-UHFFFAOYSA-N -1 3 233.231 0.933 20 0 BCADHM C[C@@]1(NC(=O)c2cc(=O)[n-]cn2)CCCOC1 ZINC000626353662 351000632 /nfs/dbraw/zinc/00/06/32/351000632.db2.gz FTKMLJLNTISBPW-LLVKDONJSA-N -1 3 237.259 0.481 20 0 BCADHM CC[C@@](C)(CCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626380951 351022483 /nfs/dbraw/zinc/02/24/83/351022483.db2.gz JSJIQSATTWIMEE-NSHDSACASA-N -1 3 239.275 0.463 20 0 BCADHM CCC[C@@](C)(CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626387602 351023648 /nfs/dbraw/zinc/02/36/48/351023648.db2.gz DIGUIMAARQTZOL-NSHDSACASA-N -1 3 239.275 0.463 20 0 BCADHM Cc1cc(C(=O)NC[C@H]2CNC(=O)C2)ccc1[O-] ZINC000398348304 351039380 /nfs/dbraw/zinc/03/93/80/351039380.db2.gz QQFULWSQSSXNAD-SECBINFHSA-N -1 3 248.282 0.567 20 0 BCADHM O=C(NC[C@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000398359172 351123077 /nfs/dbraw/zinc/12/30/77/351123077.db2.gz WUEMSLNFUNTIFV-MRVPVSSYSA-N -1 3 234.255 0.258 20 0 BCADHM CC(C)(O)CCNC(=O)Cc1cncc([O-])c1 ZINC000571700509 323466424 /nfs/dbraw/zinc/46/64/24/323466424.db2.gz JWXYZMIZHNSLOU-UHFFFAOYSA-N -1 3 238.287 0.607 20 0 BCADHM Cc1cc(CNC(=O)c2cc(=O)[n-]cn2)n(C)n1 ZINC000626976614 363074837 /nfs/dbraw/zinc/07/48/37/363074837.db2.gz IORXHAJSTAHKTN-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM CCn1cnnc1[N-]C(=O)COCC(F)F ZINC000626976890 363074848 /nfs/dbraw/zinc/07/48/48/363074848.db2.gz CXZFKEKWICOTSL-UHFFFAOYSA-N -1 3 234.206 0.518 20 0 BCADHM O=C(NCc1nccs1)c1c[n-]nn1 ZINC000088342221 351768144 /nfs/dbraw/zinc/76/81/44/351768144.db2.gz KTAOOWKRKGNXFI-UHFFFAOYSA-N -1 3 209.234 0.191 20 0 BCADHM O=C(NCc1nccs1)c1cnn[n-]1 ZINC000088342221 351768145 /nfs/dbraw/zinc/76/81/45/351768145.db2.gz KTAOOWKRKGNXFI-UHFFFAOYSA-N -1 3 209.234 0.191 20 0 BCADHM O=C(NCc1nccs1)c1cn[n-]n1 ZINC000088342221 351768146 /nfs/dbraw/zinc/76/81/46/351768146.db2.gz KTAOOWKRKGNXFI-UHFFFAOYSA-N -1 3 209.234 0.191 20 0 BCADHM COCC1(NC(=O)c2cc(=O)[n-]cn2)CCC1 ZINC000626995705 363098330 /nfs/dbraw/zinc/09/83/30/363098330.db2.gz WHPKRBKSZGUYAG-UHFFFAOYSA-N -1 3 237.259 0.481 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1ccoc1)C(=O)OC ZINC000286179134 352079443 /nfs/dbraw/zinc/07/94/43/352079443.db2.gz ZEOTYTYSCIBJOO-MRVPVSSYSA-N -1 3 247.272 0.510 20 0 BCADHM O=C(NC[C@@H]1CCCO1)c1ccc2n[n-]nc2c1 ZINC000041947490 352617542 /nfs/dbraw/zinc/61/75/42/352617542.db2.gz UXUMJURIDMGQHY-VIFPVBQESA-N -1 3 246.270 0.867 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCCCC(N)=O)c1 ZINC000037503027 358474154 /nfs/dbraw/zinc/47/41/54/358474154.db2.gz WTHPTPIYCWDHEU-UHFFFAOYSA-N -1 3 236.271 0.696 20 0 BCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@@H]1CCC(=O)N1 ZINC000626423858 353112662 /nfs/dbraw/zinc/11/26/62/353112662.db2.gz SYHMQKZBRYCATK-SFYZADRCSA-N -1 3 249.270 0.640 20 0 BCADHM C[C@@H]1C[C@@H](C)CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000334414183 353096649 /nfs/dbraw/zinc/09/66/49/353096649.db2.gz MGCGGQTZINEAHU-RKDXNWHRSA-N -1 3 224.308 0.586 20 0 BCADHM CC(C)C[C@H](NC(=O)[C@H](N)C(C)(C)C)C(=O)[O-] ZINC000123749420 188083750 /nfs/dbraw/zinc/08/37/50/188083750.db2.gz ZXDUGJVAMJVVBM-IUCAKERBSA-N -1 3 244.335 0.975 20 0 BCADHM CO[C@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000336759153 353169035 /nfs/dbraw/zinc/16/90/35/353169035.db2.gz ISZHZEUSNYGRRY-SFYZADRCSA-N -1 3 226.280 0.558 20 0 BCADHM Cn1cc(CCC(=O)Nc2ncccc2[O-])nn1 ZINC000613425497 363208468 /nfs/dbraw/zinc/20/84/68/363208468.db2.gz AAJXBFVAQYBNKY-UHFFFAOYSA-N -1 3 247.258 0.487 20 0 BCADHM CC(C)(CO)CCCNC(=O)c1c[n-]nn1 ZINC000130618572 188143898 /nfs/dbraw/zinc/14/38/98/188143898.db2.gz UJGYMRKUFUUONH-UHFFFAOYSA-N -1 3 226.280 0.333 20 0 BCADHM CC(C)(CO)CCCNC(=O)c1cnn[n-]1 ZINC000130618572 188143899 /nfs/dbraw/zinc/14/38/99/188143899.db2.gz UJGYMRKUFUUONH-UHFFFAOYSA-N -1 3 226.280 0.333 20 0 BCADHM CC(C)(CO)CCCNC(=O)c1cn[n-]n1 ZINC000130618572 188143901 /nfs/dbraw/zinc/14/39/01/188143901.db2.gz UJGYMRKUFUUONH-UHFFFAOYSA-N -1 3 226.280 0.333 20 0 BCADHM CC(=O)[N-]OCC(=O)NCc1cccs1 ZINC000119918778 188154219 /nfs/dbraw/zinc/15/42/19/188154219.db2.gz MRDVTOJZEIRJKV-UHFFFAOYSA-N -1 3 228.273 0.432 20 0 BCADHM CC1(C)[C@H](NC(=O)c2c[n-]nn2)[C@@H]2CCO[C@@H]21 ZINC000151111533 188156595 /nfs/dbraw/zinc/15/65/95/188156595.db2.gz IXDLRFJBPLUHNC-ZQARSLAVSA-N -1 3 236.275 0.348 20 0 BCADHM CC1(C)[C@H](NC(=O)c2cnn[n-]2)[C@@H]2CCO[C@@H]21 ZINC000151111533 188156597 /nfs/dbraw/zinc/15/65/97/188156597.db2.gz IXDLRFJBPLUHNC-ZQARSLAVSA-N -1 3 236.275 0.348 20 0 BCADHM CC1(C)[C@H](NC(=O)c2cn[n-]n2)[C@@H]2CCO[C@@H]21 ZINC000151111533 188156598 /nfs/dbraw/zinc/15/65/98/188156598.db2.gz IXDLRFJBPLUHNC-ZQARSLAVSA-N -1 3 236.275 0.348 20 0 BCADHM CC(=O)N1CCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000180996488 188168387 /nfs/dbraw/zinc/16/83/87/188168387.db2.gz DFBLVIISDPXIGD-SECBINFHSA-N -1 3 249.270 0.737 20 0 BCADHM COc1nc(NC(=O)[C@@H]2C[C@H]2C(F)F)n[n-]1 ZINC000338172125 188189018 /nfs/dbraw/zinc/18/90/18/188189018.db2.gz FVTFIAPOWCJZML-QWWZWVQMSA-N -1 3 232.190 0.653 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2C[C@H]2C(F)F)[n-]1 ZINC000338172125 188189019 /nfs/dbraw/zinc/18/90/19/188189019.db2.gz FVTFIAPOWCJZML-QWWZWVQMSA-N -1 3 232.190 0.653 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H]2C(F)F)n1 ZINC000338172125 188189020 /nfs/dbraw/zinc/18/90/20/188189020.db2.gz FVTFIAPOWCJZML-QWWZWVQMSA-N -1 3 232.190 0.653 20 0 BCADHM COC[C@@H](OC)C(=O)Nc1ncccc1[O-] ZINC000613426499 363210330 /nfs/dbraw/zinc/21/03/30/363210330.db2.gz JNMZVKHMFMAIIH-MRVPVSSYSA-N -1 3 226.232 0.387 20 0 BCADHM CN1C(=O)CC[C@@H]1CC(=O)Nc1ncccc1[O-] ZINC000613427658 363211407 /nfs/dbraw/zinc/21/14/07/363211407.db2.gz VSBQOCUBFXEPDI-MRVPVSSYSA-N -1 3 249.270 0.737 20 0 BCADHM COc1nc(NC(=O)COC2CCCC2)n[n-]1 ZINC000352648758 188231321 /nfs/dbraw/zinc/23/13/21/188231321.db2.gz UVQMXBSUWQUQRV-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nnc(NC(=O)COC2CCCC2)[n-]1 ZINC000352648758 188231322 /nfs/dbraw/zinc/23/13/22/188231322.db2.gz UVQMXBSUWQUQRV-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM COc1n[n-]c(NC(=O)COC2CCCC2)n1 ZINC000352648758 188231324 /nfs/dbraw/zinc/23/13/24/188231324.db2.gz UVQMXBSUWQUQRV-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM COc1ccc(NC(=O)CN(C)C)c([O-])c1 ZINC000135427960 538115329 /nfs/dbraw/zinc/11/53/29/538115329.db2.gz JDCWGINOKPEITR-UHFFFAOYSA-N -1 3 224.260 0.901 20 0 BCADHM Cc1cc(N(C)C[C@@H](C)c2nnn[n-]2)ncn1 ZINC000095331732 353559934 /nfs/dbraw/zinc/55/99/34/353559934.db2.gz LFQNJDFFNRTIPC-SSDOTTSWSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1cc(N(C)C[C@@H](C)c2nn[n-]n2)ncn1 ZINC000095331732 353559935 /nfs/dbraw/zinc/55/99/35/353559935.db2.gz LFQNJDFFNRTIPC-SSDOTTSWSA-N -1 3 233.279 0.538 20 0 BCADHM CCN(C)S(=O)(=O)[N-]c1c(C)nn(C)c1C ZINC000343852030 354022517 /nfs/dbraw/zinc/02/25/17/354022517.db2.gz KWFXETIEDWZXEE-UHFFFAOYSA-N -1 3 246.336 0.645 20 0 BCADHM C[C@@H](O)C1(NC(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000630085388 363324919 /nfs/dbraw/zinc/32/49/19/363324919.db2.gz KYZKMDWXLORWND-ZCFIWIBFSA-N -1 3 240.234 0.570 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCC[C@@H]2C[C@@H]21 ZINC000627137158 363354953 /nfs/dbraw/zinc/35/49/53/363354953.db2.gz RLLCFAMRHYWZPB-APPZFPTMSA-N -1 3 219.244 0.807 20 0 BCADHM CCn1nccc1CNCc1cnc(C)[n-]c1=O ZINC000344332238 354228716 /nfs/dbraw/zinc/22/87/16/354228716.db2.gz YODDMLHMOXAHRP-UHFFFAOYSA-N -1 3 247.302 0.997 20 0 BCADHM C[C@]1(NCc2n[nH]c(=O)[n-]2)CCO[C@@H]1C1CC1 ZINC000344336619 354232199 /nfs/dbraw/zinc/23/21/99/354232199.db2.gz MUKMMLSXMSTPEC-KOLCDFICSA-N -1 3 238.291 0.558 20 0 BCADHM CO[C@](C)([C@@H](C)NC(=O)c1c[n-]nn1)C1CC1 ZINC000412614903 191300164 /nfs/dbraw/zinc/30/01/64/191300164.db2.gz QWOVHZWLLSPGIC-RDDDGLTNSA-N -1 3 238.291 0.738 20 0 BCADHM CO[C@](C)([C@@H](C)NC(=O)c1cnn[n-]1)C1CC1 ZINC000412614903 191300167 /nfs/dbraw/zinc/30/01/67/191300167.db2.gz QWOVHZWLLSPGIC-RDDDGLTNSA-N -1 3 238.291 0.738 20 0 BCADHM CO[C@](C)([C@@H](C)NC(=O)c1cn[n-]n1)C1CC1 ZINC000412614903 191300170 /nfs/dbraw/zinc/30/01/70/191300170.db2.gz QWOVHZWLLSPGIC-RDDDGLTNSA-N -1 3 238.291 0.738 20 0 BCADHM NC(=O)NCC(=O)Nc1cc(F)ccc1[O-] ZINC000345037597 354449361 /nfs/dbraw/zinc/44/93/61/354449361.db2.gz HSRXQOIMPDVJDS-UHFFFAOYSA-N -1 3 227.195 0.138 20 0 BCADHM Cc1nc(C)c(CC(=O)NC[C@H]2C[C@@H]2C)c(=O)[n-]1 ZINC000032746719 354543446 /nfs/dbraw/zinc/54/34/46/354543446.db2.gz GQSIIAALBDMCIK-OIBJUYFYSA-N -1 3 249.314 0.701 20 0 BCADHM C[C@@H]1[C@H](C)NCCN1C(=O)c1ncccc1[O-] ZINC000379449748 358488486 /nfs/dbraw/zinc/48/84/86/358488486.db2.gz HNMHWEFTIZAFQR-DTWKUNHWSA-N -1 3 235.287 0.610 20 0 BCADHM Cc1cc(C(=O)NCc2ccc[nH]2)[n-]c(=O)n1 ZINC000345635746 354719983 /nfs/dbraw/zinc/71/99/83/354719983.db2.gz YCSRPOXZZLFMHR-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM C[C@H](O)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000345746513 354750525 /nfs/dbraw/zinc/75/05/25/354750525.db2.gz VCZDRZFOBCQPGM-ZETCQYMHSA-N -1 3 247.258 0.110 20 0 BCADHM C[C@H](O)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000345746513 354750528 /nfs/dbraw/zinc/75/05/28/354750528.db2.gz VCZDRZFOBCQPGM-ZETCQYMHSA-N -1 3 247.258 0.110 20 0 BCADHM C[C@@]1(CCCO)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000345956705 354820081 /nfs/dbraw/zinc/82/00/81/354820081.db2.gz LWJFGJLVVAIXNA-NSHDSACASA-N -1 3 240.307 0.637 20 0 BCADHM CCS(=O)(=O)[N-]Cc1nc(C2CC2)no1 ZINC000053668603 363436732 /nfs/dbraw/zinc/43/67/32/363436732.db2.gz IVRDZIRJQAYMAF-UHFFFAOYSA-N -1 3 231.277 0.386 20 0 BCADHM Cc1cc2cn[nH]c2c(C(=O)Nc2nnn[n-]2)c1 ZINC000346346195 354886801 /nfs/dbraw/zinc/88/68/01/354886801.db2.gz IFECTDCFIUVWCX-UHFFFAOYSA-N -1 3 243.230 0.637 20 0 BCADHM Cc1cc2c[nH]nc2c(C(=O)Nc2nnn[n-]2)c1 ZINC000346346195 354886804 /nfs/dbraw/zinc/88/68/04/354886804.db2.gz IFECTDCFIUVWCX-UHFFFAOYSA-N -1 3 243.230 0.637 20 0 BCADHM Cc1cc2cn[nH]c2c(C(=O)Nc2nn[n-]n2)c1 ZINC000346346195 354886806 /nfs/dbraw/zinc/88/68/06/354886806.db2.gz IFECTDCFIUVWCX-UHFFFAOYSA-N -1 3 243.230 0.637 20 0 BCADHM Cc1cc2c[nH]nc2c(C(=O)Nc2nn[n-]n2)c1 ZINC000346346195 354886808 /nfs/dbraw/zinc/88/68/08/354886808.db2.gz IFECTDCFIUVWCX-UHFFFAOYSA-N -1 3 243.230 0.637 20 0 BCADHM C[C@H]1CC(C)(C)CN1Cc1nc(=O)n(C)[n-]1 ZINC000335188262 355087795 /nfs/dbraw/zinc/08/77/95/355087795.db2.gz GWJUXTGOIZMRAF-QMMMGPOBSA-N -1 3 224.308 0.729 20 0 BCADHM Cn1ccc(C[N-]S(=O)(=O)c2ccco2)n1 ZINC000335244856 355159252 /nfs/dbraw/zinc/15/92/52/355159252.db2.gz LWVDFLPRJAIHBL-UHFFFAOYSA-N -1 3 241.272 0.492 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccn(C)n1 ZINC000413465454 191382633 /nfs/dbraw/zinc/38/26/33/191382633.db2.gz VGYLXHFDZVOTAE-SSDOTTSWSA-N -1 3 243.274 0.633 20 0 BCADHM C[C@@H]1CC[C@@H](CN=c2ncnc3[nH][n-]cc2-3)O1 ZINC000413382307 191378287 /nfs/dbraw/zinc/37/82/87/191378287.db2.gz YSOJBJJCJAUXJK-SFYZADRCSA-N -1 3 233.275 0.706 20 0 BCADHM CO[C@H](C)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000191218159 355350017 /nfs/dbraw/zinc/35/00/17/355350017.db2.gz ZQMHQZQYQXIOPE-ZCFIWIBFSA-N -1 3 248.304 0.605 20 0 BCADHM Cc1noc2ncc([N-]S(C)(=O)=O)cc12 ZINC000608342539 355356701 /nfs/dbraw/zinc/35/67/01/355356701.db2.gz WQWXFHQNKRMBCL-UHFFFAOYSA-N -1 3 227.245 0.903 20 0 BCADHM Cc1ccoc1CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000335827610 355553576 /nfs/dbraw/zinc/55/35/76/355553576.db2.gz RIWCZUMPMCBIEO-SECBINFHSA-N -1 3 249.270 0.324 20 0 BCADHM C[C@H]1CC[C@H](N(C)Cc2nn(C)c(=O)[n-]2)C1 ZINC000335890275 355682290 /nfs/dbraw/zinc/68/22/90/355682290.db2.gz WDCJETMOAPBEGF-IUCAKERBSA-N -1 3 224.308 0.729 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)[C@@H]1CCCOC1 ZINC000389267783 355943368 /nfs/dbraw/zinc/94/33/68/355943368.db2.gz DTNOJVVEGUMIMC-JGVFFNPUSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)[C@@H]1CCCOC1 ZINC000389267783 355943371 /nfs/dbraw/zinc/94/33/71/355943371.db2.gz DTNOJVVEGUMIMC-JGVFFNPUSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CCCOC1 ZINC000389267783 355943377 /nfs/dbraw/zinc/94/33/77/355943377.db2.gz DTNOJVVEGUMIMC-JGVFFNPUSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)[C@H]1CCCOC1 ZINC000389267784 355943613 /nfs/dbraw/zinc/94/36/13/355943613.db2.gz DTNOJVVEGUMIMC-SFYZADRCSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)[C@H]1CCCOC1 ZINC000389267784 355943615 /nfs/dbraw/zinc/94/36/15/355943615.db2.gz DTNOJVVEGUMIMC-SFYZADRCSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)[C@H]1CCCOC1 ZINC000389267784 355943618 /nfs/dbraw/zinc/94/36/18/355943618.db2.gz DTNOJVVEGUMIMC-SFYZADRCSA-N -1 3 224.264 0.350 20 0 BCADHM NC(=O)CCCC(=O)[N-]OCc1ccccc1 ZINC000299359602 181220702 /nfs/dbraw/zinc/22/07/02/181220702.db2.gz MXINZRYZSFDMNT-UHFFFAOYSA-N -1 3 236.271 0.890 20 0 BCADHM C/C=C\C[C@H](CO)NC(=O)c1csc(=O)[n-]1 ZINC000351144317 355954224 /nfs/dbraw/zinc/95/42/24/355954224.db2.gz WYJZJMKUNQYGDG-SKRYNEFJSA-N -1 3 242.300 0.906 20 0 BCADHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000351584097 356021661 /nfs/dbraw/zinc/02/16/61/356021661.db2.gz VXYSKZBAHMIPQW-KZUAUGPASA-N -1 3 245.304 0.015 20 0 BCADHM COc1ccc([O-])c(C(=O)NC/C=C\CO)c1 ZINC000617690907 356281821 /nfs/dbraw/zinc/28/18/21/356281821.db2.gz JHZOXZQWHYVKRD-IHWYPQMZSA-N -1 3 237.255 0.679 20 0 BCADHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000336294810 356331612 /nfs/dbraw/zinc/33/16/12/356331612.db2.gz VBOLONHHXVTIES-QMMMGPOBSA-N -1 3 245.300 0.983 20 0 BCADHM CC[C@@H](O)C[N-]S(=O)(=O)c1ccccn1 ZINC000420740615 192260460 /nfs/dbraw/zinc/26/04/60/192260460.db2.gz GTJWGPYDDCXONG-MRVPVSSYSA-N -1 3 230.289 0.131 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)CC1=CCCCC1 ZINC000291468632 181286145 /nfs/dbraw/zinc/28/61/45/181286145.db2.gz ORIWZSAVLSCTEF-UHFFFAOYSA-N -1 3 249.274 0.733 20 0 BCADHM NC(=O)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000053891753 181282261 /nfs/dbraw/zinc/28/22/61/181282261.db2.gz JQGAMFUHMKYHHP-QMMMGPOBSA-N -1 3 234.255 0.340 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)CC1=CCCCC1 ZINC000291468632 181286146 /nfs/dbraw/zinc/28/61/46/181286146.db2.gz ORIWZSAVLSCTEF-UHFFFAOYSA-N -1 3 249.274 0.733 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)CC1=CCCCC1 ZINC000291468632 181286147 /nfs/dbraw/zinc/28/61/47/181286147.db2.gz ORIWZSAVLSCTEF-UHFFFAOYSA-N -1 3 249.274 0.733 20 0 BCADHM CSc1nnc(NC(=O)[C@@H](O)C2CCC2)[n-]1 ZINC000449819783 202043174 /nfs/dbraw/zinc/04/31/74/202043174.db2.gz JSDAJJOERMVVMB-LURJTMIESA-N -1 3 242.304 0.626 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H](O)C2CCC2)n1 ZINC000449819783 202043178 /nfs/dbraw/zinc/04/31/78/202043178.db2.gz JSDAJJOERMVVMB-LURJTMIESA-N -1 3 242.304 0.626 20 0 BCADHM CSc1nc(NC(=O)[C@@H](O)C2CCC2)n[n-]1 ZINC000449819783 202043182 /nfs/dbraw/zinc/04/31/82/202043182.db2.gz JSDAJJOERMVVMB-LURJTMIESA-N -1 3 242.304 0.626 20 0 BCADHM CN(C)CCN=c1[n-]c(C2CCC2)no1 ZINC000450210208 202098469 /nfs/dbraw/zinc/09/84/69/202098469.db2.gz ZZHWXWOQFKESLX-UHFFFAOYSA-N -1 3 210.281 0.733 20 0 BCADHM CCOC(=O)c1cc(-c2nccn2C)n[n-]1 ZINC000675082605 538522942 /nfs/dbraw/zinc/52/29/42/538522942.db2.gz PTMVDVMZBHPDFU-UHFFFAOYSA-N -1 3 220.232 0.987 20 0 BCADHM CCOC(=O)c1cc(-c2nccn2C)[n-]n1 ZINC000675082605 538522946 /nfs/dbraw/zinc/52/29/46/538522946.db2.gz PTMVDVMZBHPDFU-UHFFFAOYSA-N -1 3 220.232 0.987 20 0 BCADHM CC(=O)[C@@H](C)Sc1n[n-]c(CO)n1 ZINC000379405038 356911748 /nfs/dbraw/zinc/91/17/48/356911748.db2.gz SJAAQPNHNPJVOM-RXMQYKEDSA-N -1 3 201.251 0.367 20 0 BCADHM CN(CC1(O)CCC1)C(=O)c1cc(=O)[n-]cn1 ZINC000626452532 356976205 /nfs/dbraw/zinc/97/62/05/356976205.db2.gz VNCZVZTVPZWTPQ-UHFFFAOYSA-N -1 3 237.259 0.169 20 0 BCADHM CCO[C@H](C(=O)[N-]c1nncn1C)C(C)C ZINC000626465988 356999321 /nfs/dbraw/zinc/99/93/21/356999321.db2.gz DKOCJUXWXUZOOY-QMMMGPOBSA-N -1 3 226.280 0.815 20 0 BCADHM COc1nc(C(=O)[N-]c2nncn2C)co1 ZINC000626465913 356999520 /nfs/dbraw/zinc/99/95/20/356999520.db2.gz AEMXUUZLAFWLNL-UHFFFAOYSA-N -1 3 223.192 0.064 20 0 BCADHM N=c1nc(N2CC[C@@H](F)C2)nc2[nH][n-]cc1-2 ZINC000450604266 202208092 /nfs/dbraw/zinc/20/80/92/202208092.db2.gz KCLRULBBNLXMMZ-RXMQYKEDSA-N -1 3 222.227 0.265 20 0 BCADHM C/C=C\C[C@@H](CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626492691 357085365 /nfs/dbraw/zinc/08/53/65/357085365.db2.gz ATHJQRPHSBDWEB-KZUAUGPASA-N -1 3 237.259 0.239 20 0 BCADHM O=c1[n-]c(CN[C@H](CO)C2CCCCC2)n[nH]1 ZINC000543835965 325116448 /nfs/dbraw/zinc/11/64/48/325116448.db2.gz DRWKXUUJNOVMBS-SECBINFHSA-N -1 3 240.307 0.541 20 0 BCADHM C[C@@H](Nc1ccncc1C(=O)[O-])c1ncn(C)n1 ZINC000392171570 357139918 /nfs/dbraw/zinc/13/99/18/357139918.db2.gz NKJLDKVXCFUXSY-SSDOTTSWSA-N -1 3 247.258 0.503 20 0 BCADHM CC(C)[C@@H](C(=O)N(C)C[C@H](C)C(=O)[O-])N(C)C ZINC000582420233 357143209 /nfs/dbraw/zinc/14/32/09/357143209.db2.gz HRZSEDMQCVQLDJ-UWVGGRQHSA-N -1 3 244.335 0.752 20 0 BCADHM Cn1cncc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000356958274 538820866 /nfs/dbraw/zinc/82/08/66/538820866.db2.gz CEVYBTIBAXKAKL-UHFFFAOYSA-N -1 3 229.247 0.072 20 0 BCADHM O=C(N[C@@H]1CNC(=O)C1)c1cccc([O-])c1 ZINC000230655237 357545571 /nfs/dbraw/zinc/54/55/71/357545571.db2.gz VHQNTORVBRUWQW-QMMMGPOBSA-N -1 3 220.228 0.011 20 0 BCADHM COc1cc(C)nc(NCc2ncccc2[O-])n1 ZINC000359896818 538858566 /nfs/dbraw/zinc/85/85/66/538858566.db2.gz HQHJPVGGVAYQMP-UHFFFAOYSA-N -1 3 246.270 0.928 20 0 BCADHM CC(C)N(C)CC[N-]S(=O)(=O)c1ccco1 ZINC000188873179 357593782 /nfs/dbraw/zinc/59/37/82/357593782.db2.gz RNAAQCKMSQMFQM-UHFFFAOYSA-N -1 3 246.332 0.898 20 0 BCADHM COc1cnccc1[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000189668594 357657085 /nfs/dbraw/zinc/65/70/85/357657085.db2.gz CBLBPSNMJMHSSR-SSDOTTSWSA-N -1 3 247.258 0.699 20 0 BCADHM COc1cnccc1[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000189668594 357657087 /nfs/dbraw/zinc/65/70/87/357657087.db2.gz CBLBPSNMJMHSSR-SSDOTTSWSA-N -1 3 247.258 0.699 20 0 BCADHM COc1cnccc1[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000189668594 357657089 /nfs/dbraw/zinc/65/70/89/357657089.db2.gz CBLBPSNMJMHSSR-SSDOTTSWSA-N -1 3 247.258 0.699 20 0 BCADHM Cc1cc(C(=O)NC[C@](C)(O)CO)ccc1[O-] ZINC000232368897 357659550 /nfs/dbraw/zinc/65/95/50/357659550.db2.gz FHNOSPSKAGEEJO-LBPRGKRZSA-N -1 3 239.271 0.174 20 0 BCADHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccccn1 ZINC000132441098 325216984 /nfs/dbraw/zinc/21/69/84/325216984.db2.gz UOHDGKMJNKNWKJ-SNVBAGLBSA-N -1 3 244.316 0.521 20 0 BCADHM [O-]c1cccnc1CN1CCC[C@H]1CO ZINC000564297443 325251112 /nfs/dbraw/zinc/25/11/12/325251112.db2.gz WGLJNNWHGPVKSM-VIFPVBQESA-N -1 3 208.261 0.744 20 0 BCADHM CS[C@@H](C)C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000584718611 358160368 /nfs/dbraw/zinc/16/03/68/358160368.db2.gz XHKZMNYKEJAWAP-ZETCQYMHSA-N -1 3 249.361 0.450 20 0 BCADHM CCCN(CCO)Cc1ncccc1[O-] ZINC000583898838 358227395 /nfs/dbraw/zinc/22/73/95/358227395.db2.gz NNEBSGFNDDVJNJ-UHFFFAOYSA-N -1 3 210.277 0.992 20 0 BCADHM C[C@H](CC(C)(C)O)N=c1ncnc2[nH][n-]cc1-2 ZINC000450689353 202235175 /nfs/dbraw/zinc/23/51/75/202235175.db2.gz XUBNHMXJODTIEG-SSDOTTSWSA-N -1 3 235.291 0.688 20 0 BCADHM CCCC[C@H](NC(=O)[C@@H](N)CCC)C(=O)[O-] ZINC000040482452 358237327 /nfs/dbraw/zinc/23/73/27/358237327.db2.gz SAZZLRKKUXDYBK-IUCAKERBSA-N -1 3 230.308 0.873 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCCc1cn[nH]c1 ZINC000578205650 366391098 /nfs/dbraw/zinc/39/10/98/366391098.db2.gz WJPOIYNUTYZMKN-UHFFFAOYSA-N -1 3 246.270 0.412 20 0 BCADHM CN1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000044539304 358390668 /nfs/dbraw/zinc/39/06/68/358390668.db2.gz PCQSVQAVXJNULG-JTQLQIEISA-N -1 3 249.314 0.859 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@@H](N)[C@@H](C)CC ZINC000044624556 358391924 /nfs/dbraw/zinc/39/19/24/358391924.db2.gz PWZDUAYQQWDKDV-WPRPVWTQSA-N -1 3 230.308 0.683 20 0 BCADHM COC[C@@H](O)CCNc1ccncc1C(=O)[O-] ZINC000230181267 358395278 /nfs/dbraw/zinc/39/52/78/358395278.db2.gz RDIGBVPNSXCRSM-QMMMGPOBSA-N -1 3 240.259 0.589 20 0 BCADHM CCc1nc(C(=O)[N-]c2nncn2C)co1 ZINC000125397634 358537880 /nfs/dbraw/zinc/53/78/80/358537880.db2.gz QYSDIKBWWFFNLT-UHFFFAOYSA-N -1 3 221.220 0.618 20 0 BCADHM Cn1cc(NC(=O)c2ccc3n[n-]nc3c2)cn1 ZINC000047530095 358593144 /nfs/dbraw/zinc/59/31/44/358593144.db2.gz AFRQSAGOTXXSGK-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM O=C(c1cccc([O-])c1)N1CCS(=O)CC1 ZINC000049692903 358698508 /nfs/dbraw/zinc/69/85/08/358698508.db2.gz ANPCZHHRBCAUIV-UHFFFAOYSA-N -1 3 239.296 0.597 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@H]1C(F)(F)F ZINC000627387631 358759586 /nfs/dbraw/zinc/75/95/86/358759586.db2.gz VYOVDVUBBDQMKN-LURJTMIESA-N -1 3 247.176 0.959 20 0 BCADHM NC(=O)CSCC(=O)Nc1ccccc1[O-] ZINC000134225173 358783864 /nfs/dbraw/zinc/78/38/64/358783864.db2.gz YSGVNWCZXOKZQL-UHFFFAOYSA-N -1 3 240.284 0.549 20 0 BCADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)CCO1 ZINC000219866034 134292033 /nfs/dbraw/zinc/29/20/33/134292033.db2.gz GIKVTBGVKFMUKW-YUMQZZPRSA-N -1 3 245.304 0.256 20 0 BCADHM O=S(=O)([N-]Cc1ccccn1)c1c[nH]cn1 ZINC000069947941 359036596 /nfs/dbraw/zinc/03/65/96/359036596.db2.gz LCMSMMFMASDMDJ-UHFFFAOYSA-N -1 3 238.272 0.283 20 0 BCADHM CS(=O)(=O)[N-]c1n[nH]cc1Br ZINC000306176016 358985751 /nfs/dbraw/zinc/98/57/51/358985751.db2.gz NAUQNKFGAWQPDK-UHFFFAOYSA-N -1 3 240.082 0.544 20 0 BCADHM COC(=O)c1cc(C(=O)[N-]c2ccncc2)on1 ZINC000611485390 359374624 /nfs/dbraw/zinc/37/46/24/359374624.db2.gz HCYPCVRNWJYFNQ-UHFFFAOYSA-N -1 3 247.210 0.530 20 0 BCADHM CO[C@H]1CN(C(=O)c2cccc([O-])c2)CCO1 ZINC000613819463 363652287 /nfs/dbraw/zinc/65/22/87/363652287.db2.gz OMCAXDHNIBSPPG-LLVKDONJSA-N -1 3 237.255 0.837 20 0 BCADHM CC(C)N1CCCC[C@H]1C(=O)NCCC(=O)[O-] ZINC000574988488 359528629 /nfs/dbraw/zinc/52/86/29/359528629.db2.gz AAHBNKWFNVJBNE-JTQLQIEISA-N -1 3 242.319 0.840 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H](O)C1CCC1 ZINC000450793084 202268688 /nfs/dbraw/zinc/26/86/88/202268688.db2.gz ILKHHNHJGLVAEN-SECBINFHSA-N -1 3 222.244 0.887 20 0 BCADHM CO[C@@H]([C@H](C)N=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000450865150 202294050 /nfs/dbraw/zinc/29/40/50/202294050.db2.gz WGBYHILKEKHYTB-XVKPBYJWSA-N -1 3 247.302 0.952 20 0 BCADHM COC(=O)[C@@H]([N-]S(=O)(=O)C1(C)CC1)C1CC1 ZINC000451278947 202395609 /nfs/dbraw/zinc/39/56/09/202395609.db2.gz YRYFMTVHJZWTEX-QMMMGPOBSA-N -1 3 247.316 0.410 20 0 BCADHM CC[C@H](CO)[N@H+](C)Cc1ncccc1[O-] ZINC000578714298 366629497 /nfs/dbraw/zinc/62/94/97/366629497.db2.gz OVAZFJAZZPKPSO-SECBINFHSA-N -1 3 210.277 0.990 20 0 BCADHM CC[C@H](CO)N(C)Cc1ncccc1[O-] ZINC000578714298 366629505 /nfs/dbraw/zinc/62/95/05/366629505.db2.gz OVAZFJAZZPKPSO-SECBINFHSA-N -1 3 210.277 0.990 20 0 BCADHM C[C@@H](CO)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000612676571 359985564 /nfs/dbraw/zinc/98/55/64/359985564.db2.gz YGDZVVLLBQEADD-LURJTMIESA-N -1 3 235.243 0.379 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)CCCF)C(=O)OC ZINC000090183988 360062003 /nfs/dbraw/zinc/06/20/03/360062003.db2.gz ABTYFVPWVGRTNN-SSDOTTSWSA-N -1 3 241.284 0.217 20 0 BCADHM C[C@H]1C[C@H](C)CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000092617141 360184644 /nfs/dbraw/zinc/18/46/44/360184644.db2.gz NNGSNPBJDFZLJX-YUMQZZPRSA-N -1 3 210.281 0.576 20 0 BCADHM CC[C@@](C)(CO)NC(=O)Cc1cncc([O-])c1 ZINC000613030509 360277679 /nfs/dbraw/zinc/27/76/79/360277679.db2.gz KPBBXIXKSAVKDA-LBPRGKRZSA-N -1 3 238.287 0.607 20 0 BCADHM CO[C@H]1CC[C@H](C(=O)Nc2ccncc2[O-])C1 ZINC000613087140 360348798 /nfs/dbraw/zinc/34/87/98/360348798.db2.gz UOKRHBWXCLMJKQ-IUCAKERBSA-N -1 3 236.271 0.963 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC000614165703 363727732 /nfs/dbraw/zinc/72/77/32/363727732.db2.gz ZUACPOMIEGQHDE-MBTKJCJQSA-N -1 3 234.255 0.927 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H](O)C2CC2)n1 ZINC000614163461 363727877 /nfs/dbraw/zinc/72/78/77/363727877.db2.gz BNJJYUSQQBVTFV-SECBINFHSA-N -1 3 222.244 0.805 20 0 BCADHM O=C([C@@H]1CC(=O)N1)N1CCCc2cccc([O-])c21 ZINC000613158773 360455989 /nfs/dbraw/zinc/45/59/89/360455989.db2.gz IWYXPBMGNJECMX-VIFPVBQESA-N -1 3 246.266 0.560 20 0 BCADHM COc1nc(NC(=O)Cc2occc2C)n[n-]1 ZINC000613195048 360682264 /nfs/dbraw/zinc/68/22/64/360682264.db2.gz BRXXHQGHNRIDOL-UHFFFAOYSA-N -1 3 236.231 0.896 20 0 BCADHM COc1nnc(NC(=O)Cc2occc2C)[n-]1 ZINC000613195048 360682270 /nfs/dbraw/zinc/68/22/70/360682270.db2.gz BRXXHQGHNRIDOL-UHFFFAOYSA-N -1 3 236.231 0.896 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2occc2C)n1 ZINC000613195048 360682275 /nfs/dbraw/zinc/68/22/75/360682275.db2.gz BRXXHQGHNRIDOL-UHFFFAOYSA-N -1 3 236.231 0.896 20 0 BCADHM Cc1ccc(C(=O)N[C@@H]2COCCC2=O)c([O-])c1 ZINC000628883825 360721751 /nfs/dbraw/zinc/72/17/51/360721751.db2.gz BOAPEZOMWCMPJL-SNVBAGLBSA-N -1 3 249.266 0.788 20 0 BCADHM CC[C@H](C)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000451831850 202484436 /nfs/dbraw/zinc/48/44/36/202484436.db2.gz BHQWPHMEWFCSFB-VIFPVBQESA-N -1 3 239.323 0.426 20 0 BCADHM CC[C@@H](C)CC[N-]S(=O)(=O)c1nncn1C ZINC000632549768 360902375 /nfs/dbraw/zinc/90/23/75/360902375.db2.gz GLOQMJXVPGORJR-MRVPVSSYSA-N -1 3 246.336 0.530 20 0 BCADHM CC1(NC(=O)c2ccccc2[O-])COC1 ZINC000634185729 360998217 /nfs/dbraw/zinc/99/82/17/360998217.db2.gz HYQZOEZESJCLGS-UHFFFAOYSA-N -1 3 207.229 0.911 20 0 BCADHM C[C@@H]1C[C@@H]1CN1CCOC[C@@H]1CC(=O)[O-] ZINC000629360367 361008208 /nfs/dbraw/zinc/00/82/08/361008208.db2.gz PAABSWCYQNEGLZ-BBBLOLIVSA-N -1 3 213.277 0.818 20 0 BCADHM CCCCOCCN1CC[C@](OC)(C(=O)[O-])C1 ZINC000629371343 361021642 /nfs/dbraw/zinc/02/16/42/361021642.db2.gz JFVQJTIPGZBLKA-GFCCVEGCSA-N -1 3 245.319 0.979 20 0 BCADHM COCC1(NC(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000622044405 370677567 /nfs/dbraw/zinc/67/75/67/370677567.db2.gz DUQYYOZWNVLQSD-UHFFFAOYSA-N -1 3 240.234 0.835 20 0 BCADHM O=C(NC1(CCO)CC1)c1cc(F)c[n-]c1=O ZINC000622066135 370689401 /nfs/dbraw/zinc/68/94/01/370689401.db2.gz QHJPCCLDHIBWHZ-UHFFFAOYSA-N -1 3 240.234 0.571 20 0 BCADHM CC[C@@H](CSC)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000162152672 361337707 /nfs/dbraw/zinc/33/77/07/361337707.db2.gz ZFPTWDPIGCGWMD-ZETCQYMHSA-N -1 3 249.361 0.830 20 0 BCADHM C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000632627050 361388033 /nfs/dbraw/zinc/38/80/33/361388033.db2.gz AAUBUHFBCVZZQO-BQBZGAKWSA-N -1 3 215.278 0.107 20 0 BCADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000632627052 361388638 /nfs/dbraw/zinc/38/86/38/361388638.db2.gz AAUBUHFBCVZZQO-RNFRBKRXSA-N -1 3 215.278 0.107 20 0 BCADHM Cc1cc(C)c(CNC(=O)c2c[n-]nn2)c(=O)[nH]1 ZINC000614314500 363778530 /nfs/dbraw/zinc/77/85/30/363778530.db2.gz ISUWFUOJZJXONY-UHFFFAOYSA-N -1 3 247.258 0.452 20 0 BCADHM Cc1cc(C)c(CNC(=O)c2cnn[n-]2)c(=O)[nH]1 ZINC000614314500 363778533 /nfs/dbraw/zinc/77/85/33/363778533.db2.gz ISUWFUOJZJXONY-UHFFFAOYSA-N -1 3 247.258 0.452 20 0 BCADHM Cc1cc(C)c(CNC(=O)c2cn[n-]n2)c(=O)[nH]1 ZINC000614314500 363778537 /nfs/dbraw/zinc/77/85/37/363778537.db2.gz ISUWFUOJZJXONY-UHFFFAOYSA-N -1 3 247.258 0.452 20 0 BCADHM O=C(CCn1ccnn1)Nc1ncccc1[O-] ZINC000180996526 366780092 /nfs/dbraw/zinc/78/00/92/366780092.db2.gz SKCCRAUOFUIPEB-UHFFFAOYSA-N -1 3 233.231 0.408 20 0 BCADHM C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccccc1[O-] ZINC000188469216 219896280 /nfs/dbraw/zinc/89/62/80/219896280.db2.gz KLQHHWJWPYGIRD-SECBINFHSA-N -1 3 248.282 0.695 20 0 BCADHM CNC(=O)CCN(C)Cc1ncccc1[O-] ZINC000579407836 366777300 /nfs/dbraw/zinc/77/73/00/366777300.db2.gz MALJBHJFMAUANF-UHFFFAOYSA-N -1 3 223.276 0.355 20 0 BCADHM C[C@@H]1C[C@@H]1CNC(=O)C(=O)[N-]c1cnns1 ZINC000429665415 201123396 /nfs/dbraw/zinc/12/33/96/201123396.db2.gz ZKYWSCRKXJIPSG-PHDIDXHHSA-N -1 3 240.288 0.249 20 0 BCADHM CC(C)CN(C)C(=O)C(=O)[N-]c1cnns1 ZINC000429662587 201124032 /nfs/dbraw/zinc/12/40/32/201124032.db2.gz RNXNHINUVOCCNO-UHFFFAOYSA-N -1 3 242.304 0.591 20 0 BCADHM CSCCN1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000381684892 361513168 /nfs/dbraw/zinc/51/31/68/361513168.db2.gz YMMFAVHKOGAEFH-QMMMGPOBSA-N -1 3 241.364 0.728 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1ccccn1)[C@@H](C)O ZINC000451909634 202496447 /nfs/dbraw/zinc/49/64/47/202496447.db2.gz LLGQGSICDNAEDS-BDAKNGLRSA-N -1 3 244.316 0.519 20 0 BCADHM c1[n-][nH]c2ncnc(=NCc3cccnn3)c1-2 ZINC000435421202 201269169 /nfs/dbraw/zinc/26/91/69/201269169.db2.gz GTCHDJJJWWSQCN-UHFFFAOYSA-N -1 3 227.231 0.129 20 0 BCADHM CC(=O)c1cnc(NC(=O)c2nc[n-]n2)s1 ZINC000435940436 201301646 /nfs/dbraw/zinc/30/16/46/201301646.db2.gz QXYVUJKMHQRAIB-UHFFFAOYSA-N -1 3 237.244 0.716 20 0 BCADHM O=C(NCCN1CCC1)c1ccccc1[O-] ZINC000436491038 201330372 /nfs/dbraw/zinc/33/03/72/201330372.db2.gz KHFRJTKPRGFHSL-UHFFFAOYSA-N -1 3 220.272 0.828 20 0 BCADHM CC(=O)c1ccc(C(=O)Nc2nc[nH]n2)cc1[O-] ZINC000436535323 201330781 /nfs/dbraw/zinc/33/07/81/201330781.db2.gz ZKZMZKJIVFSJBY-UHFFFAOYSA-N -1 3 246.226 0.965 20 0 BCADHM Cn1cc(NC(=O)c2c([O-])cccc2O)nn1 ZINC000436659694 201333451 /nfs/dbraw/zinc/33/34/51/201333451.db2.gz SOXSVELYDJXSMG-UHFFFAOYSA-N -1 3 234.215 0.479 20 0 BCADHM Cn1cnc(C(=O)Nc2cc(F)ccc2[O-])n1 ZINC000436981509 201340671 /nfs/dbraw/zinc/34/06/71/201340671.db2.gz UWIAHFSCHZZFKR-UHFFFAOYSA-N -1 3 236.206 0.912 20 0 BCADHM O=C(N[C@@H]1C[C@H]1CO)c1ccc2[nH][n-]c(=O)c2c1 ZINC000614379775 363802071 /nfs/dbraw/zinc/80/20/71/363802071.db2.gz MNPIVORWYYWQPE-OIBJUYFYSA-N -1 3 247.254 0.379 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCCOC1 ZINC000614657441 363917311 /nfs/dbraw/zinc/91/73/11/363917311.db2.gz MGCNXIZTVMJDGU-UHFFFAOYSA-N -1 3 222.244 0.536 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H]1C[C@@H]1C1CC1 ZINC000614915299 364074131 /nfs/dbraw/zinc/07/41/31/364074131.db2.gz VEXGZPLJKLLOBL-MNOVXSKESA-N -1 3 249.314 0.805 20 0 BCADHM O=C(Cc1ccoc1)NCCCc1cc(=O)[nH][n-]1 ZINC000614916010 364075360 /nfs/dbraw/zinc/07/53/60/364075360.db2.gz UFVACTMJXQNWBH-UHFFFAOYSA-N -1 3 249.270 0.594 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1CC2(CC2)C1 ZINC000614922567 364092211 /nfs/dbraw/zinc/09/22/11/364092211.db2.gz NOQKFVCCIWBUHJ-UHFFFAOYSA-N -1 3 249.314 0.949 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H]1CC12CCC2 ZINC000614921015 364094462 /nfs/dbraw/zinc/09/44/62/364094462.db2.gz ABXGFGHROYEMQW-SNVBAGLBSA-N -1 3 249.314 0.949 20 0 BCADHM C[C@@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)[C@H](C)O1 ZINC000630386233 364099939 /nfs/dbraw/zinc/09/99/39/364099939.db2.gz TXSCZFIXUFRNIC-BKPPORCPSA-N -1 3 233.275 0.704 20 0 BCADHM CCn1ccnc1[C@H](C)NC(=O)c1c[n-]nn1 ZINC000622082535 370699283 /nfs/dbraw/zinc/69/92/83/370699283.db2.gz PBEQZCJFWKJFQU-ZETCQYMHSA-N -1 3 234.263 0.512 20 0 BCADHM CCn1ccnc1[C@H](C)NC(=O)c1cn[n-]n1 ZINC000622082535 370699288 /nfs/dbraw/zinc/69/92/88/370699288.db2.gz PBEQZCJFWKJFQU-ZETCQYMHSA-N -1 3 234.263 0.512 20 0 BCADHM CCn1ccnc1[C@H](C)NC(=O)c1cnn[n-]1 ZINC000622082535 370699292 /nfs/dbraw/zinc/69/92/92/370699292.db2.gz PBEQZCJFWKJFQU-ZETCQYMHSA-N -1 3 234.263 0.512 20 0 BCADHM Cc1cccc(C(=O)NC[C@@H]2CCC(=O)N2)c1[O-] ZINC000079932466 370704676 /nfs/dbraw/zinc/70/46/76/370704676.db2.gz FUUWVVFBRWZFRE-VIFPVBQESA-N -1 3 248.282 0.709 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cc(F)c[n-]c2=O)CO1 ZINC000622123201 370723797 /nfs/dbraw/zinc/72/37/97/370723797.db2.gz DUPLGXULSYONPI-POYBYMJQSA-N -1 3 240.234 0.834 20 0 BCADHM O=C(NCC[C@H]1CC1(F)F)c1c[n-]nn1 ZINC000622201705 370763059 /nfs/dbraw/zinc/76/30/59/370763059.db2.gz PTYUWXLSEVEMOW-YFKPBYRVSA-N -1 3 216.191 0.580 20 0 BCADHM O=C(NCC[C@H]1CC1(F)F)c1cnn[n-]1 ZINC000622201705 370763062 /nfs/dbraw/zinc/76/30/62/370763062.db2.gz PTYUWXLSEVEMOW-YFKPBYRVSA-N -1 3 216.191 0.580 20 0 BCADHM O=C(NCC[C@H]1CC1(F)F)c1cn[n-]n1 ZINC000622201705 370763067 /nfs/dbraw/zinc/76/30/67/370763067.db2.gz PTYUWXLSEVEMOW-YFKPBYRVSA-N -1 3 216.191 0.580 20 0 BCADHM CCN[C@H](C)C(=O)N(CC(=O)[O-])C1CCC1 ZINC000630574078 364270842 /nfs/dbraw/zinc/27/08/42/364270842.db2.gz MVJJURIYAJAOJK-MRVPVSSYSA-N -1 3 228.292 0.450 20 0 BCADHM CCN[C@@H](C)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000630573155 364271065 /nfs/dbraw/zinc/27/10/65/364271065.db2.gz DVKOUOMTDMZQRT-QMMMGPOBSA-N -1 3 228.292 0.308 20 0 BCADHM CCN[C@@H](C)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000630573014 364271231 /nfs/dbraw/zinc/27/12/31/364271231.db2.gz CAZGHXUGHPKUEX-VIFPVBQESA-N -1 3 244.335 0.992 20 0 BCADHM CC(C)(C(=O)[N-]c1nnc2[nH]cnn12)C(F)F ZINC000614993098 364281407 /nfs/dbraw/zinc/28/14/07/364281407.db2.gz BAOBBOBTYYUZJU-UHFFFAOYSA-N -1 3 244.205 0.682 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1C[C@H]2C[C@H]2C1 ZINC000614993111 364282759 /nfs/dbraw/zinc/28/27/59/364282759.db2.gz BKQVBCANFSTLNF-ZMONIFLSSA-N -1 3 232.247 0.437 20 0 BCADHM O=C(CCC(F)F)[N-]c1nnc2[nH]cnn12 ZINC000614993256 364285656 /nfs/dbraw/zinc/28/56/56/364285656.db2.gz FADJMZFOEJTIKA-UHFFFAOYSA-N -1 3 230.178 0.436 20 0 BCADHM CC[C@@H]1C[C@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614994232 364288987 /nfs/dbraw/zinc/28/89/87/364288987.db2.gz OYLDVXOTZGQCOI-PHDIDXHHSA-N -1 3 220.236 0.437 20 0 BCADHM CC(C)[C@H]1C[C@@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614995025 364290239 /nfs/dbraw/zinc/29/02/39/364290239.db2.gz ZBIJJBUJGLTQMH-RQJHMYQMSA-N -1 3 234.263 0.683 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000614996231 364307114 /nfs/dbraw/zinc/30/71/14/364307114.db2.gz JMORDIXEXPVEPN-RNJXMRFFSA-N -1 3 246.274 0.827 20 0 BCADHM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCCCN1C ZINC000615222108 364641611 /nfs/dbraw/zinc/64/16/11/364641611.db2.gz PKNJNEXFSSZUJH-MRVPVSSYSA-N -1 3 238.291 0.847 20 0 BCADHM C[C@H]1CN(c2ccncc2C(=O)[O-])CC[C@@H]1O ZINC000166373741 364786604 /nfs/dbraw/zinc/78/66/04/364786604.db2.gz BLKAGTIDWHUCIW-KWQFWETISA-N -1 3 236.271 0.987 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CCC2(C)CC2)n1 ZINC000573602371 364871021 /nfs/dbraw/zinc/87/10/21/364871021.db2.gz PHQIYRHOJSWYGR-UHFFFAOYSA-N -1 3 243.332 0.889 20 0 BCADHM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC(=O)[O-] ZINC000573729466 364905088 /nfs/dbraw/zinc/90/50/88/364905088.db2.gz VUPBCWBWQAJRHE-NRPADANISA-N -1 3 227.260 0.345 20 0 BCADHM C[C@H]1OCCN(CC2(C(=O)[O-])CC2)[C@H]1C ZINC000573733921 364905155 /nfs/dbraw/zinc/90/51/55/364905155.db2.gz NJSUPHSONIXYDH-DTWKUNHWSA-N -1 3 213.277 0.960 20 0 BCADHM C[C@@H]1[C@H](C)OCCN1CC1(C(=O)[O-])CC1 ZINC000573733919 364905451 /nfs/dbraw/zinc/90/54/51/364905451.db2.gz NJSUPHSONIXYDH-BDAKNGLRSA-N -1 3 213.277 0.960 20 0 BCADHM C[C@@H]1CC[C@H](N(C)CC(=O)Nc2nnn[n-]2)C1 ZINC000574287232 365029419 /nfs/dbraw/zinc/02/94/19/365029419.db2.gz HDQDHSWSQJJLKP-SFYZADRCSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@@H]1CC[C@H](N(C)CC(=O)Nc2nn[n-]n2)C1 ZINC000574287232 365029424 /nfs/dbraw/zinc/02/94/24/365029424.db2.gz HDQDHSWSQJJLKP-SFYZADRCSA-N -1 3 238.295 0.259 20 0 BCADHM CCC[C@H](C)S(=O)(=O)[N-]CC(=O)OCC ZINC000574695884 365123520 /nfs/dbraw/zinc/12/35/20/365123520.db2.gz DYXHTGXJFRZFOB-QMMMGPOBSA-N -1 3 237.321 0.658 20 0 BCADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1c[nH]cn1 ZINC000575936682 365421824 /nfs/dbraw/zinc/42/18/24/365421824.db2.gz UKGJPJJLSHPRQC-JGVFFNPUSA-N -1 3 227.289 0.487 20 0 BCADHM O=C(NC[C@H]1CCCO1)c1cccc2nn[n-]c21 ZINC000182669275 366928766 /nfs/dbraw/zinc/92/87/66/366928766.db2.gz QPIPUQMKRSZDQL-MRVPVSSYSA-N -1 3 246.270 0.867 20 0 BCADHM O=C(NC[C@H]1CCCO1)c1cccc2[n-]nnc21 ZINC000182669275 366928771 /nfs/dbraw/zinc/92/87/71/366928771.db2.gz QPIPUQMKRSZDQL-MRVPVSSYSA-N -1 3 246.270 0.867 20 0 BCADHM O=C(NC[C@H]1CCCO1)c1cccc2n[n-]nc21 ZINC000182669275 366928774 /nfs/dbraw/zinc/92/87/74/366928774.db2.gz QPIPUQMKRSZDQL-MRVPVSSYSA-N -1 3 246.270 0.867 20 0 BCADHM COC(=O)CCNC(=O)c1cccc2nn[n-]c21 ZINC000182700965 366932984 /nfs/dbraw/zinc/93/29/84/366932984.db2.gz LIDKSVYPPWVUOO-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM COC(=O)CCNC(=O)c1cccc2[n-]nnc21 ZINC000182700965 366932992 /nfs/dbraw/zinc/93/29/92/366932992.db2.gz LIDKSVYPPWVUOO-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM COC(=O)CCNC(=O)c1cccc2n[n-]nc21 ZINC000182700965 366932998 /nfs/dbraw/zinc/93/29/98/366932998.db2.gz LIDKSVYPPWVUOO-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM O=C(CN1CCOCC1)Nc1ccccc1[O-] ZINC000026103421 541499001 /nfs/dbraw/zinc/49/90/01/541499001.db2.gz GVTRMQPWZXQPSE-UHFFFAOYSA-N -1 3 236.271 0.663 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1C[C@H]1C ZINC000176052823 541501118 /nfs/dbraw/zinc/50/11/18/541501118.db2.gz HHZOEPIRTGHLMR-INEUFUBQSA-N -1 3 223.232 0.791 20 0 BCADHM CS(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC000579733816 366997853 /nfs/dbraw/zinc/99/78/53/366997853.db2.gz IAEFAZQKHRXDHW-UHFFFAOYSA-N -1 3 201.251 0.659 20 0 BCADHM O=C([O-])c1cnccc1N1CCO[C@@H](CF)C1 ZINC000580835758 367182797 /nfs/dbraw/zinc/18/27/97/367182797.db2.gz NPYWWCFAKFKVIQ-QMMMGPOBSA-N -1 3 240.234 0.955 20 0 BCADHM CCC[C@@H](C)S(=O)(=O)[N-]Cc1nc(C)no1 ZINC000580777837 367163574 /nfs/dbraw/zinc/16/35/74/367163574.db2.gz KGLCUTLZNYLHFF-SSDOTTSWSA-N -1 3 247.320 0.986 20 0 BCADHM C[C@H](CO)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000622301442 370831994 /nfs/dbraw/zinc/83/19/94/370831994.db2.gz ZIVQZCBRDYDLMV-SSDOTTSWSA-N -1 3 227.235 0.571 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1ncccn1 ZINC000381454714 367407269 /nfs/dbraw/zinc/40/72/69/367407269.db2.gz HXQWDVJYRACHIN-MRVPVSSYSA-N -1 3 219.248 0.401 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(=O)N(C)C2)n1 ZINC000581528626 367549999 /nfs/dbraw/zinc/54/99/99/367549999.db2.gz XFZBVRDKDAYSEC-MRVPVSSYSA-N -1 3 236.275 0.283 20 0 BCADHM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)NC1CC1 ZINC000382928087 367568339 /nfs/dbraw/zinc/56/83/39/367568339.db2.gz DZDAWDNAKLDKIW-BDAKNGLRSA-N -1 3 242.319 0.839 20 0 BCADHM CN(CCCCO)c1ccncc1C(=O)[O-] ZINC000384996752 367770992 /nfs/dbraw/zinc/77/09/92/367770992.db2.gz HBZUNFKNRLYXAN-UHFFFAOYSA-N -1 3 224.260 0.989 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)C1CC1 ZINC000581739158 367802435 /nfs/dbraw/zinc/80/24/35/367802435.db2.gz QNPXFGZFOISBEN-UHFFFAOYSA-N -1 3 209.205 0.545 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)C1CC1 ZINC000581739158 367802440 /nfs/dbraw/zinc/80/24/40/367802440.db2.gz QNPXFGZFOISBEN-UHFFFAOYSA-N -1 3 209.205 0.545 20 0 BCADHM N[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000581954534 368021268 /nfs/dbraw/zinc/02/12/68/368021268.db2.gz AZEUKLQECMKLNY-APOZVJGGSA-N -1 3 238.287 0.047 20 0 BCADHM C[C@@H](CN(C)C(=O)C1(N)CCCCC1)C(=O)[O-] ZINC000387186593 368098534 /nfs/dbraw/zinc/09/85/34/368098534.db2.gz XWZROSLZOMKMAK-VIFPVBQESA-N -1 3 242.319 0.827 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCOC1 ZINC000615752600 368254109 /nfs/dbraw/zinc/25/41/09/368254109.db2.gz IXDQWZYNXGZUSL-UHFFFAOYSA-N -1 3 218.216 0.388 20 0 BCADHM CC(=O)N[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000060618714 368549186 /nfs/dbraw/zinc/54/91/86/368549186.db2.gz HNJYUHLDPQARLO-SSDOTTSWSA-N -1 3 222.244 0.855 20 0 BCADHM CCO[N-]C(=O)[C@H]1C[C@H]1c1cnn(C)c1 ZINC000064458145 368607633 /nfs/dbraw/zinc/60/76/33/368607633.db2.gz XNCQPKQCLRXQFX-IUCAKERBSA-N -1 3 209.249 0.591 20 0 BCADHM COC[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000066086064 368641706 /nfs/dbraw/zinc/64/17/06/368641706.db2.gz PTBSQRAOTCTGFY-SSDOTTSWSA-N -1 3 247.320 0.042 20 0 BCADHM O=C([O-])[C@@H]1COCCN1CCN1CCCCC1 ZINC000088379603 368912298 /nfs/dbraw/zinc/91/22/98/368912298.db2.gz QPRJQABCRBZPCU-NSHDSACASA-N -1 3 242.319 0.258 20 0 BCADHM O=C(NCC1CSC1)c1csc(=O)[n-]1 ZINC000616055281 368922897 /nfs/dbraw/zinc/92/28/97/368922897.db2.gz NEPIVEDCWLNHGB-UHFFFAOYSA-N -1 3 230.314 0.942 20 0 BCADHM Cn1ncc(C2CC2)c1CNC(=O)c1c[n-]nn1 ZINC000618557998 369170124 /nfs/dbraw/zinc/17/01/24/369170124.db2.gz ZVIKFGOYGCCDTF-UHFFFAOYSA-N -1 3 246.274 0.346 20 0 BCADHM Cn1ncc(C2CC2)c1CNC(=O)c1cnn[n-]1 ZINC000618557998 369170128 /nfs/dbraw/zinc/17/01/28/369170128.db2.gz ZVIKFGOYGCCDTF-UHFFFAOYSA-N -1 3 246.274 0.346 20 0 BCADHM Cn1ncc(C2CC2)c1CNC(=O)c1cn[n-]n1 ZINC000618557998 369170132 /nfs/dbraw/zinc/17/01/32/369170132.db2.gz ZVIKFGOYGCCDTF-UHFFFAOYSA-N -1 3 246.274 0.346 20 0 BCADHM CN(Cc1cn(C)nn1)C(=O)c1cccc([O-])c1 ZINC000618814534 369220539 /nfs/dbraw/zinc/22/05/39/369220539.db2.gz CGDIRSFMAJWPKB-UHFFFAOYSA-N -1 3 246.270 0.793 20 0 BCADHM O=C(N[C@H]1CCc2ccc(O)cc21)c1c[n-]nn1 ZINC000618972289 369250865 /nfs/dbraw/zinc/25/08/65/369250865.db2.gz ORDGDKFBDGWHIT-JTQLQIEISA-N -1 3 244.254 0.928 20 0 BCADHM O=C(N[C@H]1CCc2ccc(O)cc21)c1cnn[n-]1 ZINC000618972289 369250867 /nfs/dbraw/zinc/25/08/67/369250867.db2.gz ORDGDKFBDGWHIT-JTQLQIEISA-N -1 3 244.254 0.928 20 0 BCADHM O=C(N[C@H]1CCc2ccc(O)cc21)c1cn[n-]n1 ZINC000618972289 369250869 /nfs/dbraw/zinc/25/08/69/369250869.db2.gz ORDGDKFBDGWHIT-JTQLQIEISA-N -1 3 244.254 0.928 20 0 BCADHM Cc1cc(C(=O)[N-]c2nncs2)ncn1 ZINC000156848342 326244417 /nfs/dbraw/zinc/24/44/17/326244417.db2.gz TYRVWVMSPJADEM-UHFFFAOYSA-N -1 3 221.245 0.889 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)c2c[nH]cn2)[n-]1 ZINC000619447587 369368810 /nfs/dbraw/zinc/36/88/10/369368810.db2.gz GUCWLWLGCBHWKB-UHFFFAOYSA-N -1 3 249.230 0.562 20 0 BCADHM CCOC(=O)c1nc(NC(=O)c2c[nH]cn2)c[n-]1 ZINC000619447587 369368814 /nfs/dbraw/zinc/36/88/14/369368814.db2.gz GUCWLWLGCBHWKB-UHFFFAOYSA-N -1 3 249.230 0.562 20 0 BCADHM CCn1cc(CNC(=O)c2cccc([O-])c2)nn1 ZINC000404450021 369429450 /nfs/dbraw/zinc/42/94/50/369429450.db2.gz QKTZYNHKQGKGSF-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM COCC(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117733959 370960571 /nfs/dbraw/zinc/96/05/71/370960571.db2.gz OVUDLFHKITYXCI-UHFFFAOYSA-N -1 3 246.270 0.911 20 0 BCADHM CO[C@@H]1COC[C@@H]1NCc1nc(C)ccc1[O-] ZINC000459758375 203358719 /nfs/dbraw/zinc/35/87/19/203358719.db2.gz QDKBZXBLOSORQA-CMPLNLGQSA-N -1 3 238.287 0.599 20 0 BCADHM CCC[C@@](C)(O)C(=O)[N-]c1nncn1C ZINC000622512585 370975004 /nfs/dbraw/zinc/97/50/04/370975004.db2.gz OEVCYNLHGYCFCZ-SECBINFHSA-N -1 3 212.253 0.305 20 0 BCADHM Cc1nccn1CC(=O)Nc1ncccc1[O-] ZINC000622504805 370969073 /nfs/dbraw/zinc/96/90/73/370969073.db2.gz AXWXEQJEQGEEJO-UHFFFAOYSA-N -1 3 232.243 0.931 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@@H]1C[C@@H]1C ZINC000619865551 369622001 /nfs/dbraw/zinc/62/20/01/369622001.db2.gz DGWFZVRSBGCNMU-NTSWFWBYSA-N -1 3 223.232 0.791 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@@H]1C[C@@H]1C ZINC000619865551 369622004 /nfs/dbraw/zinc/62/20/04/369622004.db2.gz DGWFZVRSBGCNMU-NTSWFWBYSA-N -1 3 223.232 0.791 20 0 BCADHM CCC(=O)N[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000620163373 369755106 /nfs/dbraw/zinc/75/51/06/369755106.db2.gz ZIUUASQFZLVXKJ-ZETCQYMHSA-N -1 3 237.259 0.640 20 0 BCADHM O=C(NCC1(CO)CC1)c1cc(F)c[n-]c1=O ZINC000621913454 370595881 /nfs/dbraw/zinc/59/58/81/370595881.db2.gz OVZKIMKLOBMVNL-UHFFFAOYSA-N -1 3 240.234 0.429 20 0 BCADHM CC[C@@H](O)CCNC(=O)c1cc(F)c[n-]c1=O ZINC000621917884 370599797 /nfs/dbraw/zinc/59/97/97/370599797.db2.gz MBPBGDSRVJWTAH-MRVPVSSYSA-N -1 3 242.250 0.817 20 0 BCADHM CC(C)[C@@H](O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621923687 370601961 /nfs/dbraw/zinc/60/19/61/370601961.db2.gz UINWSHOWRWTITK-VIFPVBQESA-N -1 3 242.250 0.673 20 0 BCADHM O=C(N[C@@H]1CCOC1)c1cc(F)c[n-]c1=O ZINC000621929197 370604327 /nfs/dbraw/zinc/60/43/27/370604327.db2.gz GLUBCBQKRQMLSF-SSDOTTSWSA-N -1 3 226.207 0.445 20 0 BCADHM CO[C@H](C)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621968016 370626431 /nfs/dbraw/zinc/62/64/31/370626431.db2.gz UUWZISUFTCKRLS-ZCFIWIBFSA-N -1 3 228.223 0.691 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@@H](C)O ZINC000623936190 371165850 /nfs/dbraw/zinc/16/58/50/371165850.db2.gz JFZXVSWTWXOHLH-MRVPVSSYSA-N -1 3 209.245 0.811 20 0 BCADHM C[C@H]1C[C@H]1CNC(=O)c1cc(=O)[n-]cn1 ZINC000624107985 371311771 /nfs/dbraw/zinc/31/17/71/371311771.db2.gz DOBZIBLBBCMWJW-BQBZGAKWSA-N -1 3 207.233 0.568 20 0 BCADHM CC(C)(C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000624564184 371542946 /nfs/dbraw/zinc/54/29/46/371542946.db2.gz SNZWQMVSTHJZTO-UHFFFAOYSA-N -1 3 209.249 0.958 20 0 BCADHM O=C(NCCCCF)c1cc(=O)[n-]cn1 ZINC000627431608 371614450 /nfs/dbraw/zinc/61/44/50/371614450.db2.gz HZCUNCCYLZWCPL-UHFFFAOYSA-N -1 3 213.212 0.662 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC(C2CC2)C1 ZINC000627434836 371615499 /nfs/dbraw/zinc/61/54/99/371615499.db2.gz VIPDRABOSCSNMX-UHFFFAOYSA-N -1 3 219.244 0.664 20 0 BCADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])C(N)=O ZINC000627436172 371618039 /nfs/dbraw/zinc/61/80/39/371618039.db2.gz NRNWYVWGQQOWIO-MRVPVSSYSA-N -1 3 236.271 0.694 20 0 BCADHM CC(C)[C@](C)(CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000627394724 371598995 /nfs/dbraw/zinc/59/89/95/371598995.db2.gz PABRZGJNIRCAOI-NSHDSACASA-N -1 3 239.275 0.319 20 0 BCADHM COC[C@@H]1CCN1C(=O)c1cc(=O)[n-]cn1 ZINC000627523246 371678019 /nfs/dbraw/zinc/67/80/19/371678019.db2.gz WTPQJXQZYVSFBW-ZETCQYMHSA-N -1 3 223.232 0.043 20 0 BCADHM CC1(C)OCC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627582170 371761740 /nfs/dbraw/zinc/76/17/40/371761740.db2.gz ICBAARWBAMGPGP-MRVPVSSYSA-N -1 3 237.259 0.480 20 0 BCADHM CO[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627633046 371794374 /nfs/dbraw/zinc/79/43/74/371794374.db2.gz IVMYPEVMXICOFT-VXNVDRBHSA-N -1 3 237.259 0.480 20 0 BCADHM C[C@H](CC(C)(C)O)NC(=O)c1cc(=O)[n-]cn1 ZINC000627601172 371771641 /nfs/dbraw/zinc/77/16/41/371771641.db2.gz XLIGMBLTNQOIOJ-SSDOTTSWSA-N -1 3 239.275 0.462 20 0 BCADHM CC[C@@H](NC(=O)c1cc(=O)[n-]cn1)[C@@H](C)O ZINC000627635910 371797350 /nfs/dbraw/zinc/79/73/50/371797350.db2.gz DJWSRTJILREZGK-RNFRBKRXSA-N -1 3 225.248 0.071 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CNC(=O)C1 ZINC000627744569 371934128 /nfs/dbraw/zinc/93/41/28/371934128.db2.gz ULKRIAICNVALFX-VIFPVBQESA-N -1 3 248.282 0.567 20 0 BCADHM Cn1nccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000171003733 372212665 /nfs/dbraw/zinc/21/26/65/372212665.db2.gz XMLHKJOPTTXPTL-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM O=c1[nH][n-]cc1CCCNc1cnccn1 ZINC000631360766 372313097 /nfs/dbraw/zinc/31/30/97/372313097.db2.gz HSIHWBNYLJJKCN-MRVPVSSYSA-N -1 3 219.248 0.401 20 0 BCADHM COc1cc([N-]C(=O)c2nc(C)no2)nn1C ZINC000631406407 372340362 /nfs/dbraw/zinc/34/03/62/372340362.db2.gz ZIZOOKAUVPWCBN-UHFFFAOYSA-N -1 3 237.219 0.372 20 0 BCADHM CC(C)CCC[N-]S(=O)(=O)c1nncn1C ZINC000631720755 372521964 /nfs/dbraw/zinc/52/19/64/372521964.db2.gz MRIIHADWRFTWFL-UHFFFAOYSA-N -1 3 246.336 0.530 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]CC1CCCC1 ZINC000631725366 372523608 /nfs/dbraw/zinc/52/36/08/372523608.db2.gz CVGPEIGMUDCPDX-UHFFFAOYSA-N -1 3 244.320 0.284 20 0 BCADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1nncn1C ZINC000631895518 372688134 /nfs/dbraw/zinc/68/81/34/372688134.db2.gz FIDAMKSZHSDONS-UHFFFAOYSA-N -1 3 246.336 0.528 20 0 BCADHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1nncn1C ZINC000631906374 372692317 /nfs/dbraw/zinc/69/23/17/372692317.db2.gz KPORXEDMRWVTMV-SFYZADRCSA-N -1 3 244.320 0.282 20 0 BCADHM CC[C@@H](CO)[N-]S(=O)(=O)c1conc1C ZINC000631999121 372718315 /nfs/dbraw/zinc/71/83/15/372718315.db2.gz VIRIJKCGCMLHHF-ZETCQYMHSA-N -1 3 234.277 0.032 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H](C)[C@H](C)CO ZINC000632018154 372726279 /nfs/dbraw/zinc/72/62/79/372726279.db2.gz SVUOYDNSDAEHFF-RQJHMYQMSA-N -1 3 248.304 0.278 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]C(C)(C)C1CC1 ZINC000632027999 372730870 /nfs/dbraw/zinc/73/08/70/372730870.db2.gz BVKRKYZQWOTHMV-UHFFFAOYSA-N -1 3 244.320 0.282 20 0 BCADHM CCC1([N-]S(=O)(=O)c2nncn2C)CCC1 ZINC000632065059 372744360 /nfs/dbraw/zinc/74/43/60/372744360.db2.gz UBIXSMGKWAZYLT-UHFFFAOYSA-N -1 3 244.320 0.426 20 0 BCADHM CC[C@H](O)CC[N-]S(=O)(=O)c1conc1C ZINC000632108897 372760762 /nfs/dbraw/zinc/76/07/62/372760762.db2.gz SYUAUSFSGQJYKD-QMMMGPOBSA-N -1 3 248.304 0.422 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1CCOC1 ZINC000632135633 372773866 /nfs/dbraw/zinc/77/38/66/372773866.db2.gz GAXWSNMTKJWWFF-SSDOTTSWSA-N -1 3 232.261 0.050 20 0 BCADHM CCOC[C@H](C)[N-]S(=O)(=O)c1conc1C ZINC000632242576 372823113 /nfs/dbraw/zinc/82/31/13/372823113.db2.gz TYMCTPOZKGDZRS-ZETCQYMHSA-N -1 3 248.304 0.686 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1conc1C)[C@@H](C)O ZINC000632414044 372926202 /nfs/dbraw/zinc/92/62/02/372926202.db2.gz QEONVIXVCQXJBC-HTQZYQBOSA-N -1 3 248.304 0.421 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1conc1C)[C@H](C)O ZINC000632414045 372927061 /nfs/dbraw/zinc/92/70/61/372927061.db2.gz QEONVIXVCQXJBC-JGVFFNPUSA-N -1 3 248.304 0.421 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000632448734 372951412 /nfs/dbraw/zinc/95/14/12/372951412.db2.gz VQSBWSUFHMVJJF-VIFPVBQESA-N -1 3 247.316 0.206 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H]1C ZINC000632628110 373041062 /nfs/dbraw/zinc/04/10/62/373041062.db2.gz OFMDAHOOAXEIMU-SVGQVSJJSA-N -1 3 230.289 0.978 20 0 BCADHM O=C(Cc1ccon1)NCc1ncccc1[O-] ZINC000352509651 182057953 /nfs/dbraw/zinc/05/79/53/182057953.db2.gz QHOLEWIZSFSCAL-UHFFFAOYSA-N -1 3 233.227 0.634 20 0 BCADHM O=C(Cn1cccn1)NCc1ncccc1[O-] ZINC000352518027 182069602 /nfs/dbraw/zinc/06/96/02/182069602.db2.gz UPFLJPKOLWEJGL-UHFFFAOYSA-N -1 3 232.243 0.300 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1C[C@]12CCOC2 ZINC000329755753 182085613 /nfs/dbraw/zinc/08/56/13/182085613.db2.gz YFSGKNIJVMJLCA-UFBFGSQYSA-N -1 3 234.255 0.574 20 0 BCADHM O=C([N-]C1=NCCS1)[C@@H](O)c1ccccc1 ZINC000072658561 182093577 /nfs/dbraw/zinc/09/35/77/182093577.db2.gz XGPDVFOPCHFQQP-VIFPVBQESA-N -1 3 236.296 0.939 20 0 BCADHM O=C([N-]C(CO)CO)C(F)(F)c1ccccc1 ZINC000119465756 182088548 /nfs/dbraw/zinc/08/85/48/182088548.db2.gz ZWAIKGNSIDRUCS-UHFFFAOYSA-N -1 3 245.225 0.248 20 0 BCADHM O=C(NCC(F)(F)C(F)F)c1c[n-]nn1 ZINC000192023903 182122152 /nfs/dbraw/zinc/12/21/52/182122152.db2.gz RYWFAHSFBBMNLH-UHFFFAOYSA-N -1 3 226.133 0.435 20 0 BCADHM O=C(NCC(F)(F)C(F)F)c1cnn[n-]1 ZINC000192023903 182122154 /nfs/dbraw/zinc/12/21/54/182122154.db2.gz RYWFAHSFBBMNLH-UHFFFAOYSA-N -1 3 226.133 0.435 20 0 BCADHM O=C(NCC(F)(F)C(F)F)c1cn[n-]n1 ZINC000192023903 182122155 /nfs/dbraw/zinc/12/21/55/182122155.db2.gz RYWFAHSFBBMNLH-UHFFFAOYSA-N -1 3 226.133 0.435 20 0 BCADHM O=C(CNC(=O)c1ccccc1[O-])N1CCCC1 ZINC000042011872 182122161 /nfs/dbraw/zinc/12/21/61/182122161.db2.gz JBHHTZZTNQTVGU-UHFFFAOYSA-N -1 3 248.282 0.744 20 0 BCADHM O=C(NCC1(O)CCCCCC1)c1c[n-]nn1 ZINC000083798535 182132696 /nfs/dbraw/zinc/13/26/96/182132696.db2.gz JMKRJAIIGHSEJF-UHFFFAOYSA-N -1 3 238.291 0.620 20 0 BCADHM O=C(NCC1(O)CCCCCC1)c1cnn[n-]1 ZINC000083798535 182132698 /nfs/dbraw/zinc/13/26/98/182132698.db2.gz JMKRJAIIGHSEJF-UHFFFAOYSA-N -1 3 238.291 0.620 20 0 BCADHM O=C(NCC1(O)CCCCCC1)c1cn[n-]n1 ZINC000083798535 182132699 /nfs/dbraw/zinc/13/26/99/182132699.db2.gz JMKRJAIIGHSEJF-UHFFFAOYSA-N -1 3 238.291 0.620 20 0 BCADHM CC(C)[C@H](C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521372 373583055 /nfs/dbraw/zinc/58/30/55/373583055.db2.gz JPDMJHOHZUPIIK-ZETCQYMHSA-N -1 3 239.275 0.796 20 0 BCADHM O=C(NCCCCO)c1c([O-])cccc1O ZINC000192949154 182166179 /nfs/dbraw/zinc/16/61/79/182166179.db2.gz OXPLGJDTBDLSBI-UHFFFAOYSA-N -1 3 225.244 0.600 20 0 BCADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)C1CCCC1 ZINC000381031624 373770919 /nfs/dbraw/zinc/77/09/19/373770919.db2.gz ALYXDDFXNBWLHE-MRVPVSSYSA-N -1 3 224.308 0.777 20 0 BCADHM O=C(NCCCn1ccnn1)c1cccc([O-])c1 ZINC000127289702 182178895 /nfs/dbraw/zinc/17/88/95/182178895.db2.gz MAEJPSVVZZYDKR-UHFFFAOYSA-N -1 3 246.270 0.804 20 0 BCADHM O=C(NCC[C@H]1CCCCO1)c1c[n-]nn1 ZINC000180410292 182200588 /nfs/dbraw/zinc/20/05/88/182200588.db2.gz ALCVCSRDPWMYEG-MRVPVSSYSA-N -1 3 224.264 0.494 20 0 BCADHM O=C(NCC[C@H]1CCCCO1)c1cnn[n-]1 ZINC000180410292 182200589 /nfs/dbraw/zinc/20/05/89/182200589.db2.gz ALCVCSRDPWMYEG-MRVPVSSYSA-N -1 3 224.264 0.494 20 0 BCADHM O=C(NCC[C@H]1CCCCO1)c1cn[n-]n1 ZINC000180410292 182200590 /nfs/dbraw/zinc/20/05/90/182200590.db2.gz ALCVCSRDPWMYEG-MRVPVSSYSA-N -1 3 224.264 0.494 20 0 BCADHM CC1(NC(=O)c2csc(=O)[n-]2)COC1 ZINC000634191511 374007769 /nfs/dbraw/zinc/00/77/69/374007769.db2.gz ISHYWTLXBXVHJB-UHFFFAOYSA-N -1 3 214.246 0.367 20 0 BCADHM O=C(NC[C@@H](O)C1CC1)c1ccccc1[O-] ZINC000070855982 182220708 /nfs/dbraw/zinc/22/07/08/182220708.db2.gz PYPKLJFOVYBIPD-LLVKDONJSA-N -1 3 221.256 0.893 20 0 BCADHM O=C(NC[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000179083265 182231092 /nfs/dbraw/zinc/23/10/92/182231092.db2.gz AEUOCAJLDJSGNV-LBPRGKRZSA-N -1 3 237.255 0.273 20 0 BCADHM O=C(NC[C@H]1CSCCS1)c1c[n-]nn1 ZINC000130038229 182246198 /nfs/dbraw/zinc/24/61/98/182246198.db2.gz DWLVVYDRXSHSKW-LURJTMIESA-N -1 3 244.345 0.383 20 0 BCADHM O=C(NC[C@H]1CSCCS1)c1cnn[n-]1 ZINC000130038229 182246200 /nfs/dbraw/zinc/24/62/00/182246200.db2.gz DWLVVYDRXSHSKW-LURJTMIESA-N -1 3 244.345 0.383 20 0 BCADHM O=C(NC[C@H]1CSCCS1)c1cn[n-]n1 ZINC000130038229 182246201 /nfs/dbraw/zinc/24/62/01/182246201.db2.gz DWLVVYDRXSHSKW-LURJTMIESA-N -1 3 244.345 0.383 20 0 BCADHM O=C(NC[C@H]1COc2ccccc21)c1c[n-]nn1 ZINC000289534208 182246510 /nfs/dbraw/zinc/24/65/10/182246510.db2.gz BZWUUBVLCYAEQT-QMMMGPOBSA-N -1 3 244.254 0.711 20 0 BCADHM O=C(NC[C@H]1COc2ccccc21)c1cnn[n-]1 ZINC000289534208 182246512 /nfs/dbraw/zinc/24/65/12/182246512.db2.gz BZWUUBVLCYAEQT-QMMMGPOBSA-N -1 3 244.254 0.711 20 0 BCADHM O=C(NC[C@H]1COc2ccccc21)c1cn[n-]n1 ZINC000289534208 182246513 /nfs/dbraw/zinc/24/65/13/182246513.db2.gz BZWUUBVLCYAEQT-QMMMGPOBSA-N -1 3 244.254 0.711 20 0 BCADHM O=C(NC[C@H]1COCCO1)c1cccc([O-])c1 ZINC000038063112 182246802 /nfs/dbraw/zinc/24/68/02/182246802.db2.gz GYKNOHOWNYQHKR-NSHDSACASA-N -1 3 237.255 0.537 20 0 BCADHM O=C(NCc1ccc(F)cn1)c1c[n-]nn1 ZINC000358271525 182251453 /nfs/dbraw/zinc/25/14/53/182251453.db2.gz FPNOEMSTORRHAH-UHFFFAOYSA-N -1 3 221.195 0.269 20 0 BCADHM O=C(NCc1ccc(F)cn1)c1cnn[n-]1 ZINC000358271525 182251455 /nfs/dbraw/zinc/25/14/55/182251455.db2.gz FPNOEMSTORRHAH-UHFFFAOYSA-N -1 3 221.195 0.269 20 0 BCADHM O=C(NCc1ccc(F)cn1)c1cn[n-]n1 ZINC000358271525 182251457 /nfs/dbraw/zinc/25/14/57/182251457.db2.gz FPNOEMSTORRHAH-UHFFFAOYSA-N -1 3 221.195 0.269 20 0 BCADHM O=C(NCc1cn2ccsc2n1)c1cnn[n-]1 ZINC000341904056 182268584 /nfs/dbraw/zinc/26/85/84/182268584.db2.gz CVNSKEBYVMWQLT-UHFFFAOYSA-N -1 3 248.271 0.444 20 0 BCADHM O=C([N-]N1CCCNC1=O)c1ccccc1F ZINC000272566620 182277896 /nfs/dbraw/zinc/27/78/96/182277896.db2.gz KLPKKSHMFKMZDY-UHFFFAOYSA-N -1 3 237.234 0.886 20 0 BCADHM O=C(N[C@@H]1CCOC2(CCC2)C1)c1c[n-]nn1 ZINC000269016882 182305601 /nfs/dbraw/zinc/30/56/01/182305601.db2.gz CSUNFIFLMJSNSR-MRVPVSSYSA-N -1 3 236.275 0.636 20 0 BCADHM O=C(N[C@@H]1CCOC2(CCC2)C1)c1cnn[n-]1 ZINC000269016882 182305603 /nfs/dbraw/zinc/30/56/03/182305603.db2.gz CSUNFIFLMJSNSR-MRVPVSSYSA-N -1 3 236.275 0.636 20 0 BCADHM O=C(N[C@@H]1CCOC2(CCC2)C1)c1cn[n-]n1 ZINC000269016882 182305605 /nfs/dbraw/zinc/30/56/05/182305605.db2.gz CSUNFIFLMJSNSR-MRVPVSSYSA-N -1 3 236.275 0.636 20 0 BCADHM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1c[n-]nn1 ZINC000130589965 182320161 /nfs/dbraw/zinc/32/01/61/182320161.db2.gz ZEBKZBMHSYFXEW-ADEWGFFLSA-N -1 3 240.266 0.873 20 0 BCADHM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cnn[n-]1 ZINC000130589965 182320164 /nfs/dbraw/zinc/32/01/64/182320164.db2.gz ZEBKZBMHSYFXEW-ADEWGFFLSA-N -1 3 240.266 0.873 20 0 BCADHM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cn[n-]n1 ZINC000130589965 182320167 /nfs/dbraw/zinc/32/01/67/182320167.db2.gz ZEBKZBMHSYFXEW-ADEWGFFLSA-N -1 3 240.266 0.873 20 0 BCADHM O=C([N-][C@@H]1COc2ccccc2[C@@H]1O)C(F)F ZINC000290631954 182315240 /nfs/dbraw/zinc/31/52/40/182315240.db2.gz MHESQUUGKWKWMW-APPZFPTMSA-N -1 3 243.209 0.862 20 0 BCADHM O=C(N[C@H]1CCN(C2CC2)C1)c1cncc([O-])c1 ZINC000104413963 182333913 /nfs/dbraw/zinc/33/39/13/182333913.db2.gz OFQAWBOVZQXHDT-JTQLQIEISA-N -1 3 247.298 0.754 20 0 BCADHM O=C(N[C@]1(CO)CCOC1)c1cccc([O-])c1 ZINC000273580455 182346500 /nfs/dbraw/zinc/34/65/00/182346500.db2.gz MMQIEVBEBMBTJW-LBPRGKRZSA-N -1 3 237.255 0.273 20 0 BCADHM O=C(Nc1ncccc1[O-])c1cc2n(n1)CCO2 ZINC000377872135 182398997 /nfs/dbraw/zinc/39/89/97/182398997.db2.gz CEFJUVANKYAYHU-UHFFFAOYSA-N -1 3 246.226 0.628 20 0 BCADHM CC[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000123479715 170136880 /nfs/dbraw/zinc/13/68/80/170136880.db2.gz DBAAPFMJUDWMGP-UHFFFAOYSA-N -1 3 223.685 0.372 20 0 BCADHM O=S(=O)([N-]C[C@@H](O)C1CC1)c1cccs1 ZINC000070884739 182896666 /nfs/dbraw/zinc/89/66/66/182896666.db2.gz HNMZUAMNCVUONC-MRVPVSSYSA-N -1 3 247.341 0.797 20 0 BCADHM Oc1[n-]c(NC[C@@H]2CCCO2)nc2nncc1-2 ZINC000106461820 183010456 /nfs/dbraw/zinc/01/04/56/183010456.db2.gz RNVRFIWOLMCWKD-LURJTMIESA-N -1 3 235.247 0.237 20 0 BCADHM O=c1[n-]nc(CN2CCC[C@](F)(CO)C2)s1 ZINC000367858483 183133862 /nfs/dbraw/zinc/13/38/62/183133862.db2.gz SGLAPKQYTVVSDN-SECBINFHSA-N -1 3 247.295 0.540 20 0 BCADHM OC[C@H]1C=C[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000359033025 183146789 /nfs/dbraw/zinc/14/67/89/183146789.db2.gz TZBBEHDXOYTZEM-JGVFFNPUSA-N -1 3 231.259 0.075 20 0 BCADHM [O-]c1cc(F)cc(CN[C@@]2(CO)CCOC2)c1 ZINC000185626865 183158773 /nfs/dbraw/zinc/15/87/73/183158773.db2.gz ONRVIGZEIJCASR-GFCCVEGCSA-N -1 3 241.262 0.772 20 0 BCADHM CCCN(CCC)C(=O)CN1CC(=O)[N-]C1=O ZINC000264703791 169141055 /nfs/dbraw/zinc/14/10/55/169141055.db2.gz NQRSAKLJIOKHDK-UHFFFAOYSA-N -1 3 241.291 0.187 20 0 BCADHM CCCN1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000111738141 169201893 /nfs/dbraw/zinc/20/18/93/169201893.db2.gz RUWULKNBFMONRH-UHFFFAOYSA-N -1 3 249.314 0.955 20 0 BCADHM CCCNC(=O)C[N-]C(=O)C(C)(F)F ZINC000288610024 169224179 /nfs/dbraw/zinc/22/41/79/169224179.db2.gz QOYPHIKWKNLFLT-UHFFFAOYSA-N -1 3 208.208 0.284 20 0 BCADHM CCCNC(=O)[C@H](C)N1CCC(C(=O)[O-])CC1 ZINC000035083916 169246910 /nfs/dbraw/zinc/24/69/10/169246910.db2.gz KNVJORCBRGQJTR-VIFPVBQESA-N -1 3 242.319 0.698 20 0 BCADHM CCCS(=O)(=O)[N-][C@@H](C)c1nc(C)no1 ZINC000330448715 169333017 /nfs/dbraw/zinc/33/30/17/169333017.db2.gz ZCIAUERXINLXEO-LURJTMIESA-N -1 3 233.293 0.768 20 0 BCADHM CCC[C@@H](C)C(=O)Nc1[n-]nnc1C(=O)NC ZINC000297821189 169352406 /nfs/dbraw/zinc/35/24/06/169352406.db2.gz UVMKBXKIFFOZNH-ZCFIWIBFSA-N -1 3 239.279 0.539 20 0 BCADHM CCC[C@@H](C)C(=O)Nc1nn[n-]c1C(=O)NC ZINC000297821189 169352407 /nfs/dbraw/zinc/35/24/07/169352407.db2.gz UVMKBXKIFFOZNH-ZCFIWIBFSA-N -1 3 239.279 0.539 20 0 BCADHM CCC[C@@H](C)C(=O)Nc1n[n-]nc1C(=O)NC ZINC000297821189 169352408 /nfs/dbraw/zinc/35/24/08/169352408.db2.gz UVMKBXKIFFOZNH-ZCFIWIBFSA-N -1 3 239.279 0.539 20 0 BCADHM CCC[C@@H](C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000291382978 169354189 /nfs/dbraw/zinc/35/41/89/169354189.db2.gz BJYXUXTYQTXPKE-RXMQYKEDSA-N -1 3 225.252 0.278 20 0 BCADHM CCC[C@@H](C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000291382978 169354190 /nfs/dbraw/zinc/35/41/90/169354190.db2.gz BJYXUXTYQTXPKE-RXMQYKEDSA-N -1 3 225.252 0.278 20 0 BCADHM CCC[C@@H](C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000291382978 169354191 /nfs/dbraw/zinc/35/41/91/169354191.db2.gz BJYXUXTYQTXPKE-RXMQYKEDSA-N -1 3 225.252 0.278 20 0 BCADHM CCCSCC(=O)Nc1nc(OC)n[n-]1 ZINC000179360278 134316404 /nfs/dbraw/zinc/31/64/04/134316404.db2.gz AVICKVMNFIGOSP-UHFFFAOYSA-N -1 3 230.293 0.895 20 0 BCADHM O=C(N[C@@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000226711680 134370702 /nfs/dbraw/zinc/37/07/02/134370702.db2.gz XHCWSLRJRAMLTE-ZETCQYMHSA-N -1 3 220.228 0.011 20 0 BCADHM CC[C@H](CO)NC(=O)c1ccc(O)cc1[O-] ZINC000035205376 383840249 /nfs/dbraw/zinc/84/02/49/383840249.db2.gz ULUHJZFNFIZARN-SSDOTTSWSA-N -1 3 225.244 0.599 20 0 BCADHM O=C(NCc1c[nH]cn1)c1ccc(O)cc1[O-] ZINC000088753332 383921585 /nfs/dbraw/zinc/92/15/85/383921585.db2.gz FEYFNBQMSBFGCE-UHFFFAOYSA-N -1 3 233.227 0.751 20 0 BCADHM CS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1 ZINC000070237790 383893565 /nfs/dbraw/zinc/89/35/65/383893565.db2.gz CRMVOOHZRSEPQV-UHFFFAOYSA-N -1 3 249.313 0.462 20 0 BCADHM CCS(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F ZINC000332483855 384019712 /nfs/dbraw/zinc/01/97/12/384019712.db2.gz PABILZCPAZADSX-RXMQYKEDSA-N -1 3 235.227 0.239 20 0 BCADHM Cc1cc(Cn2cc(Cl)c(=O)[n-]c2=O)no1 ZINC000091329537 384087463 /nfs/dbraw/zinc/08/74/63/384087463.db2.gz RLKAYXFBHBTRFD-UHFFFAOYSA-N -1 3 241.634 0.535 20 0 BCADHM CCC(CC)(CO)C(=O)Nc1n[n-]c(OC)n1 ZINC000569472654 384099468 /nfs/dbraw/zinc/09/94/68/384099468.db2.gz LXHXBKQZZWQMGE-UHFFFAOYSA-N -1 3 242.279 0.551 20 0 BCADHM CCC(CC)(CO)C(=O)Nc1nnc(OC)[n-]1 ZINC000569472654 384099475 /nfs/dbraw/zinc/09/94/75/384099475.db2.gz LXHXBKQZZWQMGE-UHFFFAOYSA-N -1 3 242.279 0.551 20 0 BCADHM CCC(CC)(CO)C(=O)Nc1nc(OC)n[n-]1 ZINC000569472654 384099478 /nfs/dbraw/zinc/09/94/78/384099478.db2.gz LXHXBKQZZWQMGE-UHFFFAOYSA-N -1 3 242.279 0.551 20 0 BCADHM O=C(N[C@@H]1CCOC1)c1c([O-])cccc1O ZINC000092126011 384147766 /nfs/dbraw/zinc/14/77/66/384147766.db2.gz WHQCPQSXJVQEKR-SSDOTTSWSA-N -1 3 223.228 0.617 20 0 BCADHM CCOCC[N-]S(=O)(=O)c1c(C)noc1C ZINC000006892184 384171723 /nfs/dbraw/zinc/17/17/23/384171723.db2.gz LMVYNEHQDSSIQW-UHFFFAOYSA-N -1 3 248.304 0.606 20 0 BCADHM CCSCCCNC(=O)c1c[n-]nn1 ZINC000282396922 384262190 /nfs/dbraw/zinc/26/21/90/384262190.db2.gz ZSNUWCNPDOOOAN-UHFFFAOYSA-N -1 3 214.294 0.678 20 0 BCADHM CCSCCCNC(=O)c1cnn[n-]1 ZINC000282396922 384262194 /nfs/dbraw/zinc/26/21/94/384262194.db2.gz ZSNUWCNPDOOOAN-UHFFFAOYSA-N -1 3 214.294 0.678 20 0 BCADHM CCSCCCNC(=O)c1cn[n-]n1 ZINC000282396922 384262198 /nfs/dbraw/zinc/26/21/98/384262198.db2.gz ZSNUWCNPDOOOAN-UHFFFAOYSA-N -1 3 214.294 0.678 20 0 BCADHM CO[C@H](C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119466086 384273093 /nfs/dbraw/zinc/27/30/93/384273093.db2.gz LTUSGQNTGIZYHV-SSDOTTSWSA-N -1 3 249.274 0.784 20 0 BCADHM CO[C@H](C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119466086 384273102 /nfs/dbraw/zinc/27/31/02/384273102.db2.gz LTUSGQNTGIZYHV-SSDOTTSWSA-N -1 3 249.274 0.784 20 0 BCADHM C[C@@H](O)CCNC(=O)c1ccccc1[O-] ZINC000082994763 384274588 /nfs/dbraw/zinc/27/45/88/384274588.db2.gz JGRNLNQBIYBKAT-MRVPVSSYSA-N -1 3 209.245 0.893 20 0 BCADHM COC(=O)c1cnc(SCC(C)=O)[n-]1 ZINC000142495491 384304456 /nfs/dbraw/zinc/30/44/56/384304456.db2.gz MGUMAPKYMSWPID-UHFFFAOYSA-N -1 3 214.246 0.877 20 0 BCADHM C[C@@H](CCCO)NC(=O)c1ccc(O)cc1[O-] ZINC000094945569 384321159 /nfs/dbraw/zinc/32/11/59/384321159.db2.gz YSTRPRPEWJKVDG-QMMMGPOBSA-N -1 3 239.271 0.989 20 0 BCADHM CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000083265806 384286275 /nfs/dbraw/zinc/28/62/75/384286275.db2.gz WMACVRAQAGCARR-UHFFFAOYSA-N -1 3 238.272 0.660 20 0 BCADHM CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000083265806 384286282 /nfs/dbraw/zinc/28/62/82/384286282.db2.gz WMACVRAQAGCARR-UHFFFAOYSA-N -1 3 238.272 0.660 20 0 BCADHM C[C@H](O)CCCNC(=O)c1ccc(O)cc1[O-] ZINC000228649208 384299629 /nfs/dbraw/zinc/29/96/29/384299629.db2.gz MODMLBRFRYHYFC-QMMMGPOBSA-N -1 3 239.271 0.989 20 0 BCADHM CS(=O)(=O)CCNCc1cc([O-])cc(F)c1 ZINC000159593683 384341348 /nfs/dbraw/zinc/34/13/48/384341348.db2.gz RKYPGSSILKARGB-UHFFFAOYSA-N -1 3 247.291 0.666 20 0 BCADHM CC(C)C[C@H](C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000120317210 384347785 /nfs/dbraw/zinc/34/77/85/384347785.db2.gz BBGLGFLNGKSZMI-YUMQZZPRSA-N -1 3 241.291 0.135 20 0 BCADHM CC(C)CN1CCCN(C(=O)C(=O)[O-])CC1 ZINC000083961335 384351131 /nfs/dbraw/zinc/35/11/31/384351131.db2.gz VYGBXWDHGZAJAT-UHFFFAOYSA-N -1 3 228.292 0.261 20 0 BCADHM C[C@@H](C(=O)[O-])C(=O)NCCN1CCC[C@@H](C)C1 ZINC000647116857 384357588 /nfs/dbraw/zinc/35/75/88/384357588.db2.gz LXYCYSIHLSXPPZ-NXEZZACHSA-N -1 3 242.319 0.555 20 0 BCADHM Cc1ccnc(S(=O)(=O)[N-]C2CC2)c1 ZINC000095089788 384360779 /nfs/dbraw/zinc/36/07/79/384360779.db2.gz NHYJJAMUSUYNSN-UHFFFAOYSA-N -1 3 212.274 0.831 20 0 BCADHM Cc1cnn(CCNC(=O)c2cc(=O)[n-]cn2)c1 ZINC000625709955 384393215 /nfs/dbraw/zinc/39/32/15/384393215.db2.gz YPHQESGUZKNMFW-UHFFFAOYSA-N -1 3 247.258 0.117 20 0 BCADHM CC[C@H](CO)NC(=O)c1ccccc1[O-] ZINC000035102489 384396780 /nfs/dbraw/zinc/39/67/80/384396780.db2.gz KXERVAKUDTXUMX-MRVPVSSYSA-N -1 3 209.245 0.893 20 0 BCADHM CCc1ccc(NC([O-])=NOCC(N)=O)cc1 ZINC000121203607 384402829 /nfs/dbraw/zinc/40/28/29/384402829.db2.gz VLIPPYKFUJGEPM-UHFFFAOYSA-N -1 3 237.259 0.787 20 0 BCADHM CCc1ccc(NC(=O)[N-]OCC(N)=O)cc1 ZINC000121203607 384402838 /nfs/dbraw/zinc/40/28/38/384402838.db2.gz VLIPPYKFUJGEPM-UHFFFAOYSA-N -1 3 237.259 0.787 20 0 BCADHM O=S(=O)([N-]CCO)c1ccccc1F ZINC000035610877 384416075 /nfs/dbraw/zinc/41/60/75/384416075.db2.gz TTWTZTNDVURWNW-UHFFFAOYSA-N -1 3 219.237 0.096 20 0 BCADHM CC(C)CC(=O)Nc1nnc(SCCO)[n-]1 ZINC000120738449 384377964 /nfs/dbraw/zinc/37/79/64/384377964.db2.gz MSRPOIAPCUTPFS-UHFFFAOYSA-N -1 3 244.320 0.874 20 0 BCADHM CC(C)CC(=O)Nc1nc(SCCO)n[n-]1 ZINC000120738449 384377969 /nfs/dbraw/zinc/37/79/69/384377969.db2.gz MSRPOIAPCUTPFS-UHFFFAOYSA-N -1 3 244.320 0.874 20 0 BCADHM CC(C)CC(=O)Nc1n[n-]c(SCCO)n1 ZINC000120738449 384377974 /nfs/dbraw/zinc/37/79/74/384377974.db2.gz MSRPOIAPCUTPFS-UHFFFAOYSA-N -1 3 244.320 0.874 20 0 BCADHM CN1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000070248995 384469190 /nfs/dbraw/zinc/46/91/90/384469190.db2.gz WZAYLEZJSQETJG-UHFFFAOYSA-N -1 3 245.286 0.346 20 0 BCADHM C[C@@H]1CCCN(CC(=O)Nc2nnn[n-]2)[C@@H]1C ZINC000556810663 384498395 /nfs/dbraw/zinc/49/83/95/384498395.db2.gz NVYPHLCGVPKXEJ-HTQZYQBOSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@@H]1CCCN(CC(=O)Nc2nn[n-]n2)[C@@H]1C ZINC000556810663 384498400 /nfs/dbraw/zinc/49/84/00/384498400.db2.gz NVYPHLCGVPKXEJ-HTQZYQBOSA-N -1 3 238.295 0.259 20 0 BCADHM O=S(=O)([N-][C@@H]1CCC[C@H]1O)c1cccs1 ZINC000170278881 384504312 /nfs/dbraw/zinc/50/43/12/384504312.db2.gz SRSPTSRFIFZILO-HTQZYQBOSA-N -1 3 247.341 0.940 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cnn(C)c1 ZINC000176051778 384534725 /nfs/dbraw/zinc/53/47/25/384534725.db2.gz USOWTGNHIGUMOP-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM Cn1cc(NC(=O)Cc2cncc([O-])c2)cn1 ZINC000561137607 384517509 /nfs/dbraw/zinc/51/75/09/384517509.db2.gz XATZRCRPJLLZIR-UHFFFAOYSA-N -1 3 232.243 0.702 20 0 BCADHM C[C@@H](NC(=O)c1cncc([O-])c1)c1nc[nH]n1 ZINC000176224043 384585434 /nfs/dbraw/zinc/58/54/34/384585434.db2.gz NLRLJLQWYYNASF-ZCFIWIBFSA-N -1 3 233.231 0.396 20 0 BCADHM C[C@@H](NC(=O)c1cncc([O-])c1)c1nnc[nH]1 ZINC000176224043 384585443 /nfs/dbraw/zinc/58/54/43/384585443.db2.gz NLRLJLQWYYNASF-ZCFIWIBFSA-N -1 3 233.231 0.396 20 0 BCADHM COC(=O)CCNC(=O)c1ccc2n[n-]nc2c1 ZINC000040421828 384566825 /nfs/dbraw/zinc/56/68/25/384566825.db2.gz UCJVDNPTBYSNRC-UHFFFAOYSA-N -1 3 248.242 0.251 20 0 BCADHM COc1ccc([O-])c(C(=O)N2CC[C@@H](O)C2)c1 ZINC000061705866 384670906 /nfs/dbraw/zinc/67/09/06/384670906.db2.gz LQNJSZAJQYYQQP-MRVPVSSYSA-N -1 3 237.255 0.608 20 0 BCADHM COc1cc(C(=O)N2CCOCC2)ccc1[O-] ZINC000082265675 384657405 /nfs/dbraw/zinc/65/74/05/384657405.db2.gz XDOXHZIQFGVTQZ-UHFFFAOYSA-N -1 3 237.255 0.873 20 0 BCADHM C[C@H](C(=O)[O-])N1CCN(Cc2ccncc2)CC1 ZINC000051659418 384679678 /nfs/dbraw/zinc/67/96/78/384679678.db2.gz LDNJNYTZGTZMSC-LLVKDONJSA-N -1 3 249.314 0.672 20 0 BCADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000306913603 384695105 /nfs/dbraw/zinc/69/51/05/384695105.db2.gz PNRUBHGFPOEPKV-RNFRBKRXSA-N -1 3 201.247 0.966 20 0 BCADHM O=S(=O)(Cc1ccon1)[N-]CCF ZINC000308409762 384695312 /nfs/dbraw/zinc/69/53/12/384695312.db2.gz NXYLDHQPQIDRFK-UHFFFAOYSA-N -1 3 208.214 0.064 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@@H]1CNC(=O)C1 ZINC000142614078 384703515 /nfs/dbraw/zinc/70/35/15/384703515.db2.gz XDRVKFXNUMCKQP-ZETCQYMHSA-N -1 3 220.228 0.467 20 0 BCADHM Cn1cnnc1[N-]C(=O)COCC(F)(F)F ZINC000125396665 384714644 /nfs/dbraw/zinc/71/46/44/384714644.db2.gz PGYQURVYSVKJPT-UHFFFAOYSA-N -1 3 238.169 0.333 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)CC(C)(C)C ZINC000225905387 384739371 /nfs/dbraw/zinc/73/93/71/384739371.db2.gz BTQVRGVSLNHMFD-UHFFFAOYSA-N -1 3 244.335 0.897 20 0 BCADHM C[C@@H](CO)CNC(=O)c1ccc(O)cc1[O-] ZINC000083215552 384751208 /nfs/dbraw/zinc/75/12/08/384751208.db2.gz HELBQPPWALSTPA-SSDOTTSWSA-N -1 3 225.244 0.456 20 0 BCADHM CN(Cc1cc(=O)n2[n-]ccc2n1)CC1CC1 ZINC000108854784 384754343 /nfs/dbraw/zinc/75/43/43/384754343.db2.gz PIAAKLJJNASEDF-UHFFFAOYSA-N -1 3 232.287 0.864 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](C)CO ZINC000083220145 384755013 /nfs/dbraw/zinc/75/50/13/384755013.db2.gz MWZDIWFKDWFQIQ-LURJTMIESA-N -1 3 248.304 0.198 20 0 BCADHM COC[C@H](NC(=O)c1c[n-]nn1)c1ccco1 ZINC000174625706 384819893 /nfs/dbraw/zinc/81/98/93/384819893.db2.gz CAFKSZUOXULVTQ-QMMMGPOBSA-N -1 3 236.231 0.515 20 0 BCADHM COC[C@H](NC(=O)c1cnn[n-]1)c1ccco1 ZINC000174625706 384819902 /nfs/dbraw/zinc/81/99/02/384819902.db2.gz CAFKSZUOXULVTQ-QMMMGPOBSA-N -1 3 236.231 0.515 20 0 BCADHM COC[C@H](NC(=O)c1cn[n-]n1)c1ccco1 ZINC000174625706 384819911 /nfs/dbraw/zinc/81/99/11/384819911.db2.gz CAFKSZUOXULVTQ-QMMMGPOBSA-N -1 3 236.231 0.515 20 0 BCADHM O=S(=O)(CCO)c1cccc([O-])c1 ZINC000145328136 384823144 /nfs/dbraw/zinc/82/31/44/384823144.db2.gz LZCPFLJHLGRZAM-UHFFFAOYSA-N -1 3 202.231 0.158 20 0 BCADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC1 ZINC000104133821 384802767 /nfs/dbraw/zinc/80/27/67/384802767.db2.gz QBPOCHAQSAFQJU-UHFFFAOYSA-N -1 3 244.250 0.806 20 0 BCADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)CS1 ZINC000335250445 384871888 /nfs/dbraw/zinc/87/18/88/384871888.db2.gz OZVZFSGDNCMVAM-BQBZGAKWSA-N -1 3 247.345 0.582 20 0 BCADHM CC(=O)[N-]OCC(=O)N[C@@H](C)c1cccs1 ZINC000084489729 384872879 /nfs/dbraw/zinc/87/28/79/384872879.db2.gz BJISKYACYJYAEI-ZETCQYMHSA-N -1 3 242.300 0.993 20 0 BCADHM C/C(Cl)=C\CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000528430803 384875643 /nfs/dbraw/zinc/87/56/43/384875643.db2.gz UXTPNSJJXWGKSY-RUIVOMMDSA-N -1 3 243.694 0.365 20 0 BCADHM CO[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000234831349 384881090 /nfs/dbraw/zinc/88/10/90/384881090.db2.gz FINVNWYVMQCOSS-VIFPVBQESA-N -1 3 237.255 0.959 20 0 BCADHM Cc1ccc([O-])c(CN2CCN(C)C(=O)C2)n1 ZINC000127328112 384883560 /nfs/dbraw/zinc/88/35/60/384883560.db2.gz MHYYAMMBUVWMJV-UHFFFAOYSA-N -1 3 235.287 0.370 20 0 BCADHM Cc1csc(S(=O)(=O)[N-]CC2COC2)c1 ZINC000528564958 384884828 /nfs/dbraw/zinc/88/48/28/384884828.db2.gz QCYHOMHECMSCNY-UHFFFAOYSA-N -1 3 247.341 0.981 20 0 BCADHM Cc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N(C)C2)n1 ZINC000084225267 384848923 /nfs/dbraw/zinc/84/89/23/384848923.db2.gz HDOMLKRDQVLMSC-SNVBAGLBSA-N -1 3 249.314 0.806 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H]2CCC(=O)N(C)C2)n1 ZINC000084225267 384848929 /nfs/dbraw/zinc/84/89/29/384848929.db2.gz HDOMLKRDQVLMSC-SNVBAGLBSA-N -1 3 249.314 0.806 20 0 BCADHM O=S(=O)([N-][C@@H]1CC[C@@H]2C[C@@H]2C1)c1c[nH]cn1 ZINC000403653172 384849385 /nfs/dbraw/zinc/84/93/85/384849385.db2.gz RLZOCHAQGAVIBD-IWSPIJDZSA-N -1 3 241.316 0.877 20 0 BCADHM COC(=O)[C@@H]([N-]C(=O)C(F)F)C(C)C ZINC000220542252 384849367 /nfs/dbraw/zinc/84/93/67/384849367.db2.gz HBFPQMQUZYGJGB-YFKPBYRVSA-N -1 3 209.192 0.565 20 0 BCADHM CCOC(=O)NCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000497191372 384851647 /nfs/dbraw/zinc/85/16/47/384851647.db2.gz REQKFVHEGWNICB-ZCFIWIBFSA-N -1 3 245.304 0.340 20 0 BCADHM O=C([O-])c1cnccc1NCCC1(O)CCC1 ZINC000398249423 384867028 /nfs/dbraw/zinc/86/70/28/384867028.db2.gz LEOMMRAYMFNIPW-UHFFFAOYSA-N -1 3 236.271 0.919 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccco1 ZINC000524384364 384867342 /nfs/dbraw/zinc/86/73/42/384867342.db2.gz AGOCMFUNQFFSDR-MRVPVSSYSA-N -1 3 235.243 0.521 20 0 BCADHM C[C@@H](O)CN(C)C(=O)c1ccccc1[O-] ZINC000051817734 384908171 /nfs/dbraw/zinc/90/81/71/384908171.db2.gz LWAMZJBLZIJGND-MRVPVSSYSA-N -1 3 209.245 0.845 20 0 BCADHM CC[C@H]1C(=O)NCCN1C(=O)c1ccccc1[O-] ZINC000106362151 384913268 /nfs/dbraw/zinc/91/32/68/384913268.db2.gz PNVUSUVILSNCGQ-JTQLQIEISA-N -1 3 248.282 0.743 20 0 BCADHM C[C@@H]1CN(c2nc3nncc-3c(O)[n-]2)C[C@H](C)O1 ZINC000106461752 384916066 /nfs/dbraw/zinc/91/60/66/384916066.db2.gz HERBOLCMCOQSPA-KNVOCYPGSA-N -1 3 249.274 0.260 20 0 BCADHM CC(C)[C@@H]1C[C@H](NC(=O)c2c[n-]nn2)CCO1 ZINC000271753904 384918376 /nfs/dbraw/zinc/91/83/76/384918376.db2.gz ZVPCWPMUZPZDOV-SCZZXKLOSA-N -1 3 238.291 0.738 20 0 BCADHM CC(C)[C@@H]1C[C@H](NC(=O)c2cnn[n-]2)CCO1 ZINC000271753904 384918385 /nfs/dbraw/zinc/91/83/85/384918385.db2.gz ZVPCWPMUZPZDOV-SCZZXKLOSA-N -1 3 238.291 0.738 20 0 BCADHM CC(C)[C@@H]1C[C@H](NC(=O)c2cn[n-]n2)CCO1 ZINC000271753904 384918390 /nfs/dbraw/zinc/91/83/90/384918390.db2.gz ZVPCWPMUZPZDOV-SCZZXKLOSA-N -1 3 238.291 0.738 20 0 BCADHM Cc1cc(C(=O)N2CCC[C@H]2C(N)=O)ccc1[O-] ZINC000202526696 384940347 /nfs/dbraw/zinc/94/03/47/384940347.db2.gz CUIKCQYGQYUCAR-JTQLQIEISA-N -1 3 248.282 0.791 20 0 BCADHM CCOC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)[O-])C1 ZINC000497300416 384946608 /nfs/dbraw/zinc/94/66/08/384946608.db2.gz WBPKIQBKMQHBBP-DTWKUNHWSA-N -1 3 244.291 0.670 20 0 BCADHM C[C@@H](CO)C[N-]S(=O)(=O)c1ccco1 ZINC000188708468 385083782 /nfs/dbraw/zinc/08/37/82/385083782.db2.gz LYZXDWFUVRVPTN-SSDOTTSWSA-N -1 3 219.262 0.186 20 0 BCADHM C[C@@H](CCO)[N-]S(=O)(=O)c1ccco1 ZINC000188714452 385083827 /nfs/dbraw/zinc/08/38/27/385083827.db2.gz NAIGOBNMKQGPMJ-ZETCQYMHSA-N -1 3 219.262 0.329 20 0 BCADHM C[C@H](CO)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646913646 385065402 /nfs/dbraw/zinc/06/54/02/385065402.db2.gz KRWPCXNXAGEVDX-ZETCQYMHSA-N -1 3 249.270 0.627 20 0 BCADHM O=C([O-])[C@@H]1CCN(Cc2ccncc2)C1 ZINC000062134261 385066721 /nfs/dbraw/zinc/06/67/21/385066721.db2.gz OEHFSQFRCHJFNZ-SNVBAGLBSA-N -1 3 206.245 0.988 20 0 BCADHM C[C@H](CO)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000086628639 385034125 /nfs/dbraw/zinc/03/41/25/385034125.db2.gz RWPDDTIKSVGYDE-ZETCQYMHSA-N -1 3 234.259 0.316 20 0 BCADHM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000188716497 385083357 /nfs/dbraw/zinc/08/33/57/385083357.db2.gz AEBZPXNBXLBPNE-QMMMGPOBSA-N -1 3 233.289 0.575 20 0 BCADHM CCc1ccc(C(=O)NCC(N)=O)c([O-])c1 ZINC000189153418 385129355 /nfs/dbraw/zinc/12/93/55/385129355.db2.gz QHOWHHUGLOECFZ-UHFFFAOYSA-N -1 3 222.244 0.170 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]CCCCO ZINC000032103588 385131711 /nfs/dbraw/zinc/13/17/11/385131711.db2.gz UHUGJEPZBVNOQR-UHFFFAOYSA-N -1 3 248.304 0.342 20 0 BCADHM CN(C(=O)c1cncc([O-])c1)[C@@H]1CCCN(C)C1 ZINC000109041343 385131991 /nfs/dbraw/zinc/13/19/91/385131991.db2.gz UAKYTGFVCSCOQM-LLVKDONJSA-N -1 3 249.314 0.953 20 0 BCADHM CCc1ccc(C(=O)N[C@@H](C)C(N)=O)c([O-])c1 ZINC000188803321 385090772 /nfs/dbraw/zinc/09/07/72/385090772.db2.gz CDISEFITNXWDEU-ZETCQYMHSA-N -1 3 236.271 0.558 20 0 BCADHM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000305208303 385198174 /nfs/dbraw/zinc/19/81/74/385198174.db2.gz NUNNZFSDNWJPRS-SECBINFHSA-N -1 3 247.320 0.095 20 0 BCADHM CO[N-]C(=O)Cc1cccc(C(=O)OC)c1 ZINC000129576428 385162464 /nfs/dbraw/zinc/16/24/64/385162464.db2.gz PIUYTPLMEJDWGH-UHFFFAOYSA-N -1 3 223.228 0.693 20 0 BCADHM O=C(NCc1ccccc1CO)c1c[n-]nn1 ZINC000520122127 385207824 /nfs/dbraw/zinc/20/78/24/385207824.db2.gz RTBFEHSHQMLYJP-UHFFFAOYSA-N -1 3 232.243 0.227 20 0 BCADHM O=C(NCc1ccccc1CO)c1cnn[n-]1 ZINC000520122127 385207840 /nfs/dbraw/zinc/20/78/40/385207840.db2.gz RTBFEHSHQMLYJP-UHFFFAOYSA-N -1 3 232.243 0.227 20 0 BCADHM O=C(NCc1ccccc1CO)c1cn[n-]n1 ZINC000520122127 385207845 /nfs/dbraw/zinc/20/78/45/385207845.db2.gz RTBFEHSHQMLYJP-UHFFFAOYSA-N -1 3 232.243 0.227 20 0 BCADHM COc1ncncc1CNC(C)(C)C(=O)[O-] ZINC000647646647 385219645 /nfs/dbraw/zinc/21/96/45/385219645.db2.gz HJWHQASPGOKLGI-UHFFFAOYSA-N -1 3 225.248 0.438 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CC(F)C1 ZINC000335878313 385307816 /nfs/dbraw/zinc/30/78/16/385307816.db2.gz IIGKBPIGPFAAQI-UHFFFAOYSA-N -1 3 211.192 0.892 20 0 BCADHM CCN1CCCC[C@H]1CNC(=O)[C@H](C)C(=O)[O-] ZINC000647140417 385260720 /nfs/dbraw/zinc/26/07/20/385260720.db2.gz DFOJIBOVJUZTLB-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM CN(C)CC(=O)[N-]OCc1ccccc1 ZINC000034451770 385282507 /nfs/dbraw/zinc/28/25/07/385282507.db2.gz RSPHDMHIOJVBNR-UHFFFAOYSA-N -1 3 208.261 0.796 20 0 BCADHM C[C@H](CO)[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000166985561 385291047 /nfs/dbraw/zinc/29/10/47/385291047.db2.gz YTNYVPZQOAMXRH-SFYZADRCSA-N -1 3 239.271 0.845 20 0 BCADHM CC(=O)[N-]OCC(=O)N[C@H](C)c1ccccc1 ZINC000178195068 385343583 /nfs/dbraw/zinc/34/35/83/385343583.db2.gz UZZHKXNDXDFQIL-SECBINFHSA-N -1 3 236.271 0.932 20 0 BCADHM CC1(C(=O)Nc2ncccc2[O-])COC1 ZINC000273146144 385346116 /nfs/dbraw/zinc/34/61/16/385346116.db2.gz XZDVZCAQPIZIRT-UHFFFAOYSA-N -1 3 208.217 0.762 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NCc1ncc[nH]1 ZINC000492365775 385364938 /nfs/dbraw/zinc/36/49/38/385364938.db2.gz RGFZHKDXSGCCSP-UPHRSURJSA-N -1 3 244.254 0.840 20 0 BCADHM O=C(N[C@@H]1CCOC1)c1ccc(O)cc1[O-] ZINC000179289763 385373337 /nfs/dbraw/zinc/37/33/37/385373337.db2.gz CYABUYRXXGUVCS-SSDOTTSWSA-N -1 3 223.228 0.617 20 0 BCADHM Cc1nc(CNC(=O)c2ccc(O)cc2[O-])no1 ZINC000179501435 385378469 /nfs/dbraw/zinc/37/84/69/385378469.db2.gz VLGTTXXGMFKQOL-UHFFFAOYSA-N -1 3 249.226 0.719 20 0 BCADHM CO[N-]C(=O)Cc1c(OC)cccc1OC ZINC000155466490 385392032 /nfs/dbraw/zinc/39/20/32/385392032.db2.gz HPIPWNAYCCUAIA-UHFFFAOYSA-N -1 3 225.244 0.924 20 0 BCADHM COC1(CNC(=O)c2c[n-]nn2)CCC1 ZINC000180634027 385394005 /nfs/dbraw/zinc/39/40/05/385394005.db2.gz ZAMWDGCMUKUQCJ-UHFFFAOYSA-N -1 3 210.237 0.104 20 0 BCADHM COC1(CNC(=O)c2cnn[n-]2)CCC1 ZINC000180634027 385394008 /nfs/dbraw/zinc/39/40/08/385394008.db2.gz ZAMWDGCMUKUQCJ-UHFFFAOYSA-N -1 3 210.237 0.104 20 0 BCADHM COC1(CNC(=O)c2cn[n-]n2)CCC1 ZINC000180634027 385394011 /nfs/dbraw/zinc/39/40/11/385394011.db2.gz ZAMWDGCMUKUQCJ-UHFFFAOYSA-N -1 3 210.237 0.104 20 0 BCADHM CC[C@H]([N-]C(=O)C(C)(F)F)C(=O)OC ZINC000295054472 385410846 /nfs/dbraw/zinc/41/08/46/385410846.db2.gz SVMRASRLGWMJEW-YFKPBYRVSA-N -1 3 209.192 0.709 20 0 BCADHM Cc1ccc(CC(=O)[N-]O[C@@H]2CCNC2=O)cc1 ZINC000179119144 385442792 /nfs/dbraw/zinc/44/27/92/385442792.db2.gz PWLHDGGLNFRAOD-LLVKDONJSA-N -1 3 248.282 0.474 20 0 BCADHM CCCCOCC(=O)Nc1nnc(OC)[n-]1 ZINC000179365193 385462968 /nfs/dbraw/zinc/46/29/68/385462968.db2.gz DNELXLNVBHMXGN-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM CCCCOCC(=O)Nc1n[n-]c(OC)n1 ZINC000179365193 385462973 /nfs/dbraw/zinc/46/29/73/385462973.db2.gz DNELXLNVBHMXGN-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM CCCCOCC(=O)Nc1nc(OC)n[n-]1 ZINC000179365193 385462976 /nfs/dbraw/zinc/46/29/76/385462976.db2.gz DNELXLNVBHMXGN-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CCOCC1 ZINC000179382059 385463882 /nfs/dbraw/zinc/46/38/82/385463882.db2.gz JQOPINBJBGAVSC-OWOJBTEDSA-N -1 3 234.255 0.659 20 0 BCADHM Cc1ccc(C)c(NC([O-])=NOCC(N)=O)c1 ZINC000180585126 385531387 /nfs/dbraw/zinc/53/13/87/385531387.db2.gz CNQWLVSCWGSRJK-UHFFFAOYSA-N -1 3 237.259 0.842 20 0 BCADHM Cc1ccc(C)c(NC(=O)[N-]OCC(N)=O)c1 ZINC000180585126 385531391 /nfs/dbraw/zinc/53/13/91/385531391.db2.gz CNQWLVSCWGSRJK-UHFFFAOYSA-N -1 3 237.259 0.842 20 0 BCADHM CC(=O)N1CCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000180996502 385558481 /nfs/dbraw/zinc/55/84/81/385558481.db2.gz DFBLVIISDPXIGD-VIFPVBQESA-N -1 3 249.270 0.737 20 0 BCADHM CCCc1nnc([N-]C(=O)c2nc[nH]n2)s1 ZINC000269653568 385618701 /nfs/dbraw/zinc/61/87/01/385618701.db2.gz ZYTCAYROLIKETM-UHFFFAOYSA-N -1 3 238.276 0.861 20 0 BCADHM C[C@@H](CO)SCCCOC([O-])=NC(N)=O ZINC000270147982 385674360 /nfs/dbraw/zinc/67/43/60/385674360.db2.gz QPRGTEACVXNTLU-LURJTMIESA-N -1 3 236.293 0.295 20 0 BCADHM C[C@@H](CO)SCCCOC(=O)N=C(N)[O-] ZINC000270147982 385674365 /nfs/dbraw/zinc/67/43/65/385674365.db2.gz QPRGTEACVXNTLU-LURJTMIESA-N -1 3 236.293 0.295 20 0 BCADHM C[C@@H](CO)SCCCOC(=O)[N-]C(N)=O ZINC000270147982 385674368 /nfs/dbraw/zinc/67/43/68/385674368.db2.gz QPRGTEACVXNTLU-LURJTMIESA-N -1 3 236.293 0.295 20 0 BCADHM CCO[C@@H](C)C(=O)Nc1nnc(OC)[n-]1 ZINC000183001576 385727996 /nfs/dbraw/zinc/72/79/96/385727996.db2.gz AAVHNNOCKKPSGM-YFKPBYRVSA-N -1 3 214.225 0.177 20 0 BCADHM CCO[C@@H](C)C(=O)Nc1n[n-]c(OC)n1 ZINC000183001576 385728002 /nfs/dbraw/zinc/72/80/02/385728002.db2.gz AAVHNNOCKKPSGM-YFKPBYRVSA-N -1 3 214.225 0.177 20 0 BCADHM CCO[C@@H](C)C(=O)Nc1nc(OC)n[n-]1 ZINC000183001576 385728006 /nfs/dbraw/zinc/72/80/06/385728006.db2.gz AAVHNNOCKKPSGM-YFKPBYRVSA-N -1 3 214.225 0.177 20 0 BCADHM CSc1nnc(NC(=O)[C@@H]2CCCO2)[n-]1 ZINC000270701437 385731318 /nfs/dbraw/zinc/73/13/18/385731318.db2.gz MFWRUNWYJFDXNK-YFKPBYRVSA-N -1 3 228.277 0.644 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@@H]2CCCO2)n1 ZINC000270701437 385731323 /nfs/dbraw/zinc/73/13/23/385731323.db2.gz MFWRUNWYJFDXNK-YFKPBYRVSA-N -1 3 228.277 0.644 20 0 BCADHM CSc1nc(NC(=O)[C@@H]2CCCO2)n[n-]1 ZINC000270701437 385731327 /nfs/dbraw/zinc/73/13/27/385731327.db2.gz MFWRUNWYJFDXNK-YFKPBYRVSA-N -1 3 228.277 0.644 20 0 BCADHM O=c1[n-]nc(CN[C@H]2CCO[C@H]2C2CC2)s1 ZINC000309603066 385736693 /nfs/dbraw/zinc/73/66/93/385736693.db2.gz XDJOATJOXPIGPA-CBAPKCEASA-N -1 3 241.316 0.489 20 0 BCADHM CN(C)CCNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000183297204 385751916 /nfs/dbraw/zinc/75/19/16/385751916.db2.gz WSTOHBRPSPDSDO-UHFFFAOYSA-N -1 3 244.241 0.962 20 0 BCADHM CCCCCOCC(=O)Nc1nnc(OC)[n-]1 ZINC000182994733 385727414 /nfs/dbraw/zinc/72/74/14/385727414.db2.gz VRTTZNAYXCPTLB-UHFFFAOYSA-N -1 3 242.279 0.959 20 0 BCADHM CCCCCOCC(=O)Nc1n[n-]c(OC)n1 ZINC000182994733 385727415 /nfs/dbraw/zinc/72/74/15/385727415.db2.gz VRTTZNAYXCPTLB-UHFFFAOYSA-N -1 3 242.279 0.959 20 0 BCADHM CCCCCOCC(=O)Nc1nc(OC)n[n-]1 ZINC000182994733 385727420 /nfs/dbraw/zinc/72/74/20/385727420.db2.gz VRTTZNAYXCPTLB-UHFFFAOYSA-N -1 3 242.279 0.959 20 0 BCADHM CN(C)CCNC(=O)c1s[n-]c(=O)c1Cl ZINC000282957659 385798892 /nfs/dbraw/zinc/79/88/92/385798892.db2.gz LKVNYUQBHXDEDI-UHFFFAOYSA-N -1 3 249.723 0.794 20 0 BCADHM C[C@@H](CC(N)=O)C(=O)[N-]OCc1ccccc1 ZINC000283122278 385809968 /nfs/dbraw/zinc/80/99/68/385809968.db2.gz YVZDUPCGTYQILF-VIFPVBQESA-N -1 3 236.271 0.746 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1ccc[nH]1 ZINC000493513874 533148084 /nfs/dbraw/zinc/14/80/84/533148084.db2.gz KIGGNKAGSJFFIQ-SNAWJCMRSA-N -1 3 210.233 0.722 20 0 BCADHM Cc1n[nH]cc1CNC(=O)c1cncc([O-])c1 ZINC000112173899 385833132 /nfs/dbraw/zinc/83/31/32/385833132.db2.gz XPXKJBQXJHSLNF-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM CN(Cc1nc(=O)[n-][nH]1)[C@H](CO)c1ccccc1 ZINC000271607424 385842065 /nfs/dbraw/zinc/84/20/65/385842065.db2.gz JPODYDVEXAHQEH-SNVBAGLBSA-N -1 3 248.286 0.263 20 0 BCADHM CN(Cc1nc(=O)[n-][nH]1)[C@@H]1CCSC1 ZINC000271741438 385848757 /nfs/dbraw/zinc/84/87/57/385848757.db2.gz WMIOLAZWJUJVDX-ZCFIWIBFSA-N -1 3 214.294 0.035 20 0 BCADHM O=S(=O)([N-]CCF)c1cccc2c1OCO2 ZINC000337826378 385796166 /nfs/dbraw/zinc/79/61/66/385796166.db2.gz QTZHMVOEBKVKHS-UHFFFAOYSA-N -1 3 247.247 0.663 20 0 BCADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])C(N)=O ZINC000291719722 385902314 /nfs/dbraw/zinc/90/23/14/385902314.db2.gz QBAAEPOREBCEQI-MRVPVSSYSA-N -1 3 238.243 0.092 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)c1ccncc1F ZINC000338173990 385909315 /nfs/dbraw/zinc/90/93/15/385909315.db2.gz DCTVAFKQXJQVOG-LURJTMIESA-N -1 3 235.222 0.830 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)c1ccncc1F ZINC000338173990 385909319 /nfs/dbraw/zinc/90/93/19/385909319.db2.gz DCTVAFKQXJQVOG-LURJTMIESA-N -1 3 235.222 0.830 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)c1ccncc1F ZINC000338173990 385909322 /nfs/dbraw/zinc/90/93/22/385909322.db2.gz DCTVAFKQXJQVOG-LURJTMIESA-N -1 3 235.222 0.830 20 0 BCADHM COc1cc(C(=O)N2CC[C@H](O)C2)ccc1[O-] ZINC000272561577 385913335 /nfs/dbraw/zinc/91/33/35/385913335.db2.gz ABVGJFDJZXXYOK-VIFPVBQESA-N -1 3 237.255 0.608 20 0 BCADHM COC(=O)CCC[N-]S(=O)(=O)c1ccco1 ZINC000295142469 385979444 /nfs/dbraw/zinc/97/94/44/385979444.db2.gz DGIDFEDIIYWHPY-UHFFFAOYSA-N -1 3 247.272 0.511 20 0 BCADHM CNS(=O)(=O)[N-][C@@H](COC)c1ccco1 ZINC000286002404 385987223 /nfs/dbraw/zinc/98/72/23/385987223.db2.gz NSQKWVADIFKCBI-ZETCQYMHSA-N -1 3 234.277 0.021 20 0 BCADHM CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)[O-] ZINC000414054569 385934115 /nfs/dbraw/zinc/93/41/15/385934115.db2.gz NKAFBYPKRMHFPJ-JTQLQIEISA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)C(=O)[O-] ZINC000647768597 385940151 /nfs/dbraw/zinc/94/01/51/385940151.db2.gz KAHXDTCDYZEPFD-BBBLOLIVSA-N -1 3 242.319 0.839 20 0 BCADHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000342164745 385950145 /nfs/dbraw/zinc/95/01/45/385950145.db2.gz GMMJVPPNJCTLIH-IUCAKERBSA-N -1 3 244.316 0.783 20 0 BCADHM COc1cc(C(=O)N(C)[C@H](C)CO)ccc1[O-] ZINC000285800841 385964808 /nfs/dbraw/zinc/96/48/08/385964808.db2.gz VRQFSLWYSLPNGQ-MRVPVSSYSA-N -1 3 239.271 0.854 20 0 BCADHM Cc1ncc(CNC(=O)c2cc[nH]c2)c(=O)[n-]1 ZINC000345117101 386000079 /nfs/dbraw/zinc/00/00/79/386000079.db2.gz CPEIIAFSMHFBEE-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM Cc1ncc(C(=O)NCc2cnc(C)[n-]c2=O)[nH]1 ZINC000345119004 386024447 /nfs/dbraw/zinc/02/44/47/386024447.db2.gz YTSFGUOJEGHWJB-UHFFFAOYSA-N -1 3 247.258 0.452 20 0 BCADHM C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)[O-] ZINC000336728082 386042686 /nfs/dbraw/zinc/04/26/86/386042686.db2.gz CGBYWJKQEYWVIG-MRVPVSSYSA-N -1 3 228.292 0.260 20 0 BCADHM CSCC(=O)NCc1cnc(C)[n-]c1=O ZINC000345091597 385995569 /nfs/dbraw/zinc/99/55/69/385995569.db2.gz JUHPUTKMRDUDDY-UHFFFAOYSA-N -1 3 227.289 0.470 20 0 BCADHM CCc1cnc(S(=O)(=O)C[C@H](O)CC)[n-]1 ZINC000295899120 386102781 /nfs/dbraw/zinc/10/27/81/386102781.db2.gz LIBQDFLDEGHMDD-MRVPVSSYSA-N -1 3 232.305 0.517 20 0 BCADHM CCc1c[n-]c(S(=O)(=O)C[C@H](O)CC)n1 ZINC000295899120 386102790 /nfs/dbraw/zinc/10/27/90/386102790.db2.gz LIBQDFLDEGHMDD-MRVPVSSYSA-N -1 3 232.305 0.517 20 0 BCADHM COCc1cnc(NC(=O)c2cnn[n-]2)s1 ZINC000286693794 386067021 /nfs/dbraw/zinc/06/70/21/386067021.db2.gz BTBJRRUFNYPBJY-UHFFFAOYSA-N -1 3 239.260 0.660 20 0 BCADHM COCc1cnc(NC(=O)c2c[n-]nn2)s1 ZINC000286693794 386067026 /nfs/dbraw/zinc/06/70/26/386067026.db2.gz BTBJRRUFNYPBJY-UHFFFAOYSA-N -1 3 239.260 0.660 20 0 BCADHM COCc1cnc(NC(=O)c2cn[n-]n2)s1 ZINC000286693794 386067031 /nfs/dbraw/zinc/06/70/31/386067031.db2.gz BTBJRRUFNYPBJY-UHFFFAOYSA-N -1 3 239.260 0.660 20 0 BCADHM C[C@H](O)CCN1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000425446717 386080483 /nfs/dbraw/zinc/08/04/83/386080483.db2.gz QFNKRZWODKBTDT-DTWKUNHWSA-N -1 3 239.323 0.135 20 0 BCADHM CCc1cc(=O)[n-]c(CN[C@H](C)[C@H](C)CO)n1 ZINC000295805578 386086248 /nfs/dbraw/zinc/08/62/48/386086248.db2.gz SWOVBPYOFWHPMJ-RKDXNWHRSA-N -1 3 239.319 0.851 20 0 BCADHM Cn1ccnc1CNC(=O)c1cncc([O-])c1 ZINC000111740185 386097422 /nfs/dbraw/zinc/09/74/22/386097422.db2.gz MBPKLIFJQUHWRU-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM CSc1nnc(NC(=O)CN(C)C)[n-]1 ZINC000340261213 386145984 /nfs/dbraw/zinc/14/59/84/386145984.db2.gz HAPPAMZYBYFHBM-UHFFFAOYSA-N -1 3 215.282 0.027 20 0 BCADHM CSc1n[n-]c(NC(=O)CN(C)C)n1 ZINC000340261213 386145990 /nfs/dbraw/zinc/14/59/90/386145990.db2.gz HAPPAMZYBYFHBM-UHFFFAOYSA-N -1 3 215.282 0.027 20 0 BCADHM C[C@](O)(C(=O)[N-]c1nncn1C1CC1)C1CC1 ZINC000287825406 386151350 /nfs/dbraw/zinc/15/13/50/386151350.db2.gz QPXFMPWUUBWXFG-LLVKDONJSA-N -1 3 236.275 0.713 20 0 BCADHM C[C@]1(C(N)=O)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000235736239 386188526 /nfs/dbraw/zinc/18/85/26/386188526.db2.gz WQMPTHBKAKMKME-ZDUSSCGKSA-N -1 3 248.282 0.730 20 0 BCADHM C[C@@H](CCO)CC[N-]S(=O)(=O)c1ccco1 ZINC000296055445 386130089 /nfs/dbraw/zinc/13/00/89/386130089.db2.gz CNBBONOQYPHWBN-SECBINFHSA-N -1 3 247.316 0.967 20 0 BCADHM CC[C@](C)(O)CNc1nc2nncc-2c(O)[n-]1 ZINC000274648668 386134667 /nfs/dbraw/zinc/13/46/67/386134667.db2.gz GTTSBHLSLYCDFZ-JTQLQIEISA-N -1 3 237.263 0.631 20 0 BCADHM CO[C@H](CN=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000338795282 386137143 /nfs/dbraw/zinc/13/71/43/386137143.db2.gz SLZMGHNWIOLNRQ-SECBINFHSA-N -1 3 233.275 0.563 20 0 BCADHM Oc1[n-]c(N[C@@H]2CCCC[C@H]2O)nc2nncc1-2 ZINC000274712308 386141266 /nfs/dbraw/zinc/14/12/66/386141266.db2.gz YFLQLPSHLJMQBE-HTQZYQBOSA-N -1 3 249.274 0.774 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)[C@H]1CCCOC1 ZINC000355568887 386208259 /nfs/dbraw/zinc/20/82/59/386208259.db2.gz SIAKUQWSGHYHMY-IUCAKERBSA-N -1 3 247.302 0.953 20 0 BCADHM CC[C@H](C[C@H](C)CO)NC(=O)c1c[n-]nn1 ZINC000340287829 386213912 /nfs/dbraw/zinc/21/39/12/386213912.db2.gz NTXKNWWRRDNCIG-JGVFFNPUSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@H](C[C@H](C)CO)NC(=O)c1cnn[n-]1 ZINC000340287829 386213915 /nfs/dbraw/zinc/21/39/15/386213915.db2.gz NTXKNWWRRDNCIG-JGVFFNPUSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@H](C[C@H](C)CO)NC(=O)c1cn[n-]n1 ZINC000340287829 386213917 /nfs/dbraw/zinc/21/39/17/386213917.db2.gz NTXKNWWRRDNCIG-JGVFFNPUSA-N -1 3 226.280 0.332 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1nncn1C ZINC000339028393 386214281 /nfs/dbraw/zinc/21/42/81/386214281.db2.gz FABUFFONVAJCMH-LURJTMIESA-N -1 3 244.262 0.028 20 0 BCADHM CC[C@@H](C[C@@H](C)CO)NC(=O)c1c[n-]nn1 ZINC000340287830 386214572 /nfs/dbraw/zinc/21/45/72/386214572.db2.gz NTXKNWWRRDNCIG-SFYZADRCSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@@H](C[C@@H](C)CO)NC(=O)c1cnn[n-]1 ZINC000340287830 386214578 /nfs/dbraw/zinc/21/45/78/386214578.db2.gz NTXKNWWRRDNCIG-SFYZADRCSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@@H](C[C@@H](C)CO)NC(=O)c1cn[n-]n1 ZINC000340287830 386214580 /nfs/dbraw/zinc/21/45/80/386214580.db2.gz NTXKNWWRRDNCIG-SFYZADRCSA-N -1 3 226.280 0.332 20 0 BCADHM C[C@@H]([N-]C(=O)C(C)(F)F)C(=O)N(C)C ZINC000288640740 386223522 /nfs/dbraw/zinc/22/35/22/386223522.db2.gz UKQLINDHDDPQAF-RXMQYKEDSA-N -1 3 208.208 0.235 20 0 BCADHM COC[C@H](CCO)NC(=O)c1ccccc1[O-] ZINC000225916560 386228537 /nfs/dbraw/zinc/22/85/37/386228537.db2.gz WODHFTGERPDIRD-VIFPVBQESA-N -1 3 239.271 0.519 20 0 BCADHM COc1nc(NC(=O)[C@@H](CC(C)C)OC)n[n-]1 ZINC000416186353 386236121 /nfs/dbraw/zinc/23/61/21/386236121.db2.gz BEMYOZPAGUWHTJ-SSDOTTSWSA-N -1 3 242.279 0.813 20 0 BCADHM COc1nnc(NC(=O)[C@@H](CC(C)C)OC)[n-]1 ZINC000416186353 386236122 /nfs/dbraw/zinc/23/61/22/386236122.db2.gz BEMYOZPAGUWHTJ-SSDOTTSWSA-N -1 3 242.279 0.813 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](CC(C)C)OC)n1 ZINC000416186353 386236123 /nfs/dbraw/zinc/23/61/23/386236123.db2.gz BEMYOZPAGUWHTJ-SSDOTTSWSA-N -1 3 242.279 0.813 20 0 BCADHM CC(=O)OC(C)(C)C(=O)[N-]c1nncn1C ZINC000275768803 386238474 /nfs/dbraw/zinc/23/84/74/386238474.db2.gz VSTPRNKAONFLMA-UHFFFAOYSA-N -1 3 226.236 0.095 20 0 BCADHM COc1cc(C(=O)N2CC(CO)C2)ccc1[O-] ZINC000276001277 386261139 /nfs/dbraw/zinc/26/11/39/386261139.db2.gz OUXSSVWKQBJZFK-UHFFFAOYSA-N -1 3 237.255 0.465 20 0 BCADHM COc1cc(C(=O)N[C@@H](C)C(N)=O)ccc1[O-] ZINC000275939914 386252572 /nfs/dbraw/zinc/25/25/72/386252572.db2.gz DQGVQMIVHXXNLU-LURJTMIESA-N -1 3 238.243 0.004 20 0 BCADHM C[C@@]1(O)C[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000416276363 386253292 /nfs/dbraw/zinc/25/32/92/386253292.db2.gz LZVYXZHWMFHSQD-OGXFKERWSA-N -1 3 237.255 0.741 20 0 BCADHM CCCCN(CC)C(=O)CN1CC(=O)[N-]C1=O ZINC000264636011 386258238 /nfs/dbraw/zinc/25/82/38/386258238.db2.gz PCVQIXMPBKJAPK-UHFFFAOYSA-N -1 3 241.291 0.187 20 0 BCADHM CO[C@H](C)CC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000263933609 386193738 /nfs/dbraw/zinc/19/37/38/386193738.db2.gz LTZXSFCPJVWJNI-MRVPVSSYSA-N -1 3 247.320 0.123 20 0 BCADHM CS(=O)(=O)[N-][C@H]1COc2ccccc2[C@@H]1O ZINC000288415776 386196907 /nfs/dbraw/zinc/19/69/07/386196907.db2.gz NZPHZWRDLRSHAB-WPRPVWTQSA-N -1 3 243.284 0.030 20 0 BCADHM C[C@H](CO)[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000131250550 386198960 /nfs/dbraw/zinc/19/89/60/386198960.db2.gz GABLECAUGOYIFM-SFYZADRCSA-N -1 3 248.286 0.705 20 0 BCADHM Cc1csc(C[N-]S(=O)(=O)C2COC2)n1 ZINC000276376075 386311374 /nfs/dbraw/zinc/31/13/74/386311374.db2.gz VWTDESNGYITZPV-UHFFFAOYSA-N -1 3 248.329 0.270 20 0 BCADHM Cc1cnn(C)c1CNC1(C(=O)[O-])CC1 ZINC000417540322 386322905 /nfs/dbraw/zinc/32/29/05/386322905.db2.gz WXVPDQWHKDQSJC-UHFFFAOYSA-N -1 3 209.249 0.435 20 0 BCADHM CC[C@H](NC(=O)CN1CC(=O)[N-]C1=O)C(C)C ZINC000264694924 386263192 /nfs/dbraw/zinc/26/31/92/386263192.db2.gz AULPWWOCRHEMNT-QMMMGPOBSA-N -1 3 241.291 0.089 20 0 BCADHM CC/C(C)=C/C(=O)Nc1[n-]nnc1C(=O)NC ZINC000297725538 386276471 /nfs/dbraw/zinc/27/64/71/386276471.db2.gz LWHFGKGQBSZPOP-AATRIKPKSA-N -1 3 237.263 0.459 20 0 BCADHM CCC(C)=CC(=O)Nc1nn[n-]c1C(=O)NC ZINC000297725538 386276477 /nfs/dbraw/zinc/27/64/77/386276477.db2.gz LWHFGKGQBSZPOP-AATRIKPKSA-N -1 3 237.263 0.459 20 0 BCADHM CCC(C)=CC(=O)Nc1n[n-]nc1C(=O)NC ZINC000297725538 386276481 /nfs/dbraw/zinc/27/64/81/386276481.db2.gz LWHFGKGQBSZPOP-AATRIKPKSA-N -1 3 237.263 0.459 20 0 BCADHM C[C@@]1([N-]S(=O)(=O)c2ccco2)CCOC1=O ZINC000289682278 386340247 /nfs/dbraw/zinc/34/02/47/386340247.db2.gz VKCCINCSZKJCAE-SECBINFHSA-N -1 3 245.256 0.264 20 0 BCADHM Cn1cc(C(=O)NC2CCCC2)c(=O)[n-]c1=O ZINC000298439039 386342887 /nfs/dbraw/zinc/34/28/87/386342887.db2.gz QWDLPJSWBZTBCA-UHFFFAOYSA-N -1 3 237.259 0.158 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)C(C)(C)C)n1 ZINC000265502183 386343921 /nfs/dbraw/zinc/34/39/21/386343921.db2.gz ZODSKCNIZFSQIS-UHFFFAOYSA-N -1 3 240.263 0.505 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)C(C)(C)C)[n-]1 ZINC000265502183 386343925 /nfs/dbraw/zinc/34/39/25/386343925.db2.gz ZODSKCNIZFSQIS-UHFFFAOYSA-N -1 3 240.263 0.505 20 0 BCADHM COC(=O)Cc1nc(NC(=O)C(C)(C)C)n[n-]1 ZINC000265502183 386343930 /nfs/dbraw/zinc/34/39/30/386343930.db2.gz ZODSKCNIZFSQIS-UHFFFAOYSA-N -1 3 240.263 0.505 20 0 BCADHM Cn1[n-]c(CN2CCCC(C)(C)C2)nc1=O ZINC000334491945 386351711 /nfs/dbraw/zinc/35/17/11/386351711.db2.gz UMCLHGAFBULYSF-UHFFFAOYSA-N -1 3 224.308 0.730 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)CC(C)(C)C ZINC000347401733 386387049 /nfs/dbraw/zinc/38/70/49/386387049.db2.gz RGUDIIPRTMBDDT-UHFFFAOYSA-N -1 3 212.297 0.586 20 0 BCADHM CCn1cc(CN[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC000417561496 386385828 /nfs/dbraw/zinc/38/58/28/386385828.db2.gz DKHVVAMSNDWCAQ-NSHDSACASA-N -1 3 239.275 0.236 20 0 BCADHM Cc1ccc([O-])c(CN(C)[C@@H]2COC[C@H]2O)n1 ZINC000289611852 386331816 /nfs/dbraw/zinc/33/18/16/386331816.db2.gz LEPDOJTYMRTMQW-ZYHUDNBSSA-N -1 3 238.287 0.287 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C1CC=CC1 ZINC000290457703 386439633 /nfs/dbraw/zinc/43/96/33/386439633.db2.gz CCZSIYBXPNINMD-UHFFFAOYSA-N -1 3 227.260 0.954 20 0 BCADHM CCN(Cc1nc(=O)n(C)[n-]1)C1CCC1 ZINC000347490402 386440759 /nfs/dbraw/zinc/44/07/59/386440759.db2.gz UZZYZUIUIQSSBL-UHFFFAOYSA-N -1 3 210.281 0.483 20 0 BCADHM COCC1(NC(=O)c2cccc3nn[n-]c32)CC1 ZINC000527366045 386442963 /nfs/dbraw/zinc/44/29/63/386442963.db2.gz SGMVHXQRPYPXFE-UHFFFAOYSA-N -1 3 246.270 0.867 20 0 BCADHM COCC1(NC(=O)c2cccc3[n-]nnc32)CC1 ZINC000527366045 386442969 /nfs/dbraw/zinc/44/29/69/386442969.db2.gz SGMVHXQRPYPXFE-UHFFFAOYSA-N -1 3 246.270 0.867 20 0 BCADHM COCC1(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC000527366045 386442972 /nfs/dbraw/zinc/44/29/72/386442972.db2.gz SGMVHXQRPYPXFE-UHFFFAOYSA-N -1 3 246.270 0.867 20 0 BCADHM Cc1cc(C(=O)N2CCNC(=O)C2)ccc1[O-] ZINC000227012688 386447158 /nfs/dbraw/zinc/44/71/58/386447158.db2.gz VQDKDVZDVVGLHV-UHFFFAOYSA-N -1 3 234.255 0.273 20 0 BCADHM Cc1cc(C(=O)N[C@@H](C)C(N)=O)ccc1[O-] ZINC000227015338 386448565 /nfs/dbraw/zinc/44/85/65/386448565.db2.gz TZZXOWRHSVRYOG-ZETCQYMHSA-N -1 3 222.244 0.304 20 0 BCADHM CCc1ccc([O-])c(C(=O)NCC(N)=O)c1 ZINC000118493373 386388996 /nfs/dbraw/zinc/38/89/96/386388996.db2.gz KLMVQKKLUQXQPB-UHFFFAOYSA-N -1 3 222.244 0.170 20 0 BCADHM CC(C)(NCc1cc(C(N)=O)cs1)C(=O)[O-] ZINC000417568298 386392837 /nfs/dbraw/zinc/39/28/37/386392837.db2.gz BGFYABITOGVWAL-UHFFFAOYSA-N -1 3 242.300 0.800 20 0 BCADHM O=C(NCc1ccccc1F)c1c[n-]nn1 ZINC000048889430 386451220 /nfs/dbraw/zinc/45/12/20/386451220.db2.gz OVOWZFKXOLXWOK-UHFFFAOYSA-N -1 3 220.207 0.874 20 0 BCADHM O=C(NCc1ccccc1F)c1cnn[n-]1 ZINC000048889430 386451221 /nfs/dbraw/zinc/45/12/21/386451221.db2.gz OVOWZFKXOLXWOK-UHFFFAOYSA-N -1 3 220.207 0.874 20 0 BCADHM O=C(NCc1ccccc1F)c1cn[n-]n1 ZINC000048889430 386451224 /nfs/dbraw/zinc/45/12/24/386451224.db2.gz OVOWZFKXOLXWOK-UHFFFAOYSA-N -1 3 220.207 0.874 20 0 BCADHM C[C@@H](C(=O)Nc1nnn[n-]1)[C@@H](N)c1ccccc1 ZINC000237638862 386398822 /nfs/dbraw/zinc/39/88/22/386398822.db2.gz JTIFIAYNYLJWHN-VXNVDRBHSA-N -1 3 246.274 0.474 20 0 BCADHM CO[C@@H](C)CN(Cc1nc(=O)n(C)[n-]1)C(C)C ZINC000347464625 386416536 /nfs/dbraw/zinc/41/65/36/386416536.db2.gz MMQPLZFXROKOSR-VIFPVBQESA-N -1 3 242.323 0.354 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CCC2CC2)c1 ZINC000266245012 386417453 /nfs/dbraw/zinc/41/74/53/386417453.db2.gz ARDHDPAMCBZKJO-UHFFFAOYSA-N -1 3 229.305 0.499 20 0 BCADHM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](N)C1CCC1 ZINC000399137448 386422141 /nfs/dbraw/zinc/42/21/41/386422141.db2.gz RTKJITPXKYNDLT-KWQFWETISA-N -1 3 242.319 0.826 20 0 BCADHM CC(C)CC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000299605623 386472528 /nfs/dbraw/zinc/47/25/28/386472528.db2.gz REXQFIFTOYPXSA-UHFFFAOYSA-N -1 3 231.321 0.745 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C2CCCC2)n1 ZINC000335432210 386489266 /nfs/dbraw/zinc/48/92/66/386489266.db2.gz AEWZRNCSJWJPQD-UHFFFAOYSA-N -1 3 229.305 0.641 20 0 BCADHM CCN1C[C@@H](NCc2nc(C)ccc2[O-])CC1=O ZINC000391594494 386462339 /nfs/dbraw/zinc/46/23/39/386462339.db2.gz GUNNNIDPBOTZBG-JTQLQIEISA-N -1 3 249.314 0.806 20 0 BCADHM CCO[C@@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000299534320 386464863 /nfs/dbraw/zinc/46/48/63/386464863.db2.gz NSRBYKUJSCUKTA-YFKPBYRVSA-N -1 3 230.293 0.890 20 0 BCADHM CCO[C@@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000299534320 386464867 /nfs/dbraw/zinc/46/48/67/386464867.db2.gz NSRBYKUJSCUKTA-YFKPBYRVSA-N -1 3 230.293 0.890 20 0 BCADHM CCO[C@@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000299534320 386464875 /nfs/dbraw/zinc/46/48/75/386464875.db2.gz NSRBYKUJSCUKTA-YFKPBYRVSA-N -1 3 230.293 0.890 20 0 BCADHM CO[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@H](C)C1 ZINC000408426568 386575661 /nfs/dbraw/zinc/57/56/61/386575661.db2.gz UWYACJLGYBPMPM-BDAKNGLRSA-N -1 3 240.307 0.108 20 0 BCADHM CO[C@H]1COC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000291889744 386596585 /nfs/dbraw/zinc/59/65/85/386596585.db2.gz OLAWQRXKCBJBHH-QWRGUYRKSA-N -1 3 237.255 0.536 20 0 BCADHM COc1ncccc1CCNC(=O)c1c[n-]nn1 ZINC000291312166 386534044 /nfs/dbraw/zinc/53/40/44/386534044.db2.gz UVRAHXHSVLTVHX-UHFFFAOYSA-N -1 3 247.258 0.181 20 0 BCADHM COc1ncccc1CCNC(=O)c1cnn[n-]1 ZINC000291312166 386534048 /nfs/dbraw/zinc/53/40/48/386534048.db2.gz UVRAHXHSVLTVHX-UHFFFAOYSA-N -1 3 247.258 0.181 20 0 BCADHM COc1ncccc1CCNC(=O)c1cn[n-]n1 ZINC000291312166 386534055 /nfs/dbraw/zinc/53/40/55/386534055.db2.gz UVRAHXHSVLTVHX-UHFFFAOYSA-N -1 3 247.258 0.181 20 0 BCADHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@H](C)O)c1 ZINC000123654598 386559852 /nfs/dbraw/zinc/55/98/52/386559852.db2.gz RATCPBDSVCBGFG-MRVPVSSYSA-N -1 3 247.320 0.123 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC1(C)CC1 ZINC000519858280 386570026 /nfs/dbraw/zinc/57/00/26/386570026.db2.gz HCMHUHTUXMHFOX-VIFPVBQESA-N -1 3 237.303 0.805 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C2CCC2)n1 ZINC000335410220 386573654 /nfs/dbraw/zinc/57/36/54/386573654.db2.gz YWNSIBOWLIHXDI-UHFFFAOYSA-N -1 3 215.278 0.251 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)CC[C@H](C)O)n1 ZINC000268196113 386627413 /nfs/dbraw/zinc/62/74/13/386627413.db2.gz GSFCHYCPRIZIRH-VIFPVBQESA-N -1 3 239.319 0.947 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)CC[C@@H](C)O)n1 ZINC000268196109 386627889 /nfs/dbraw/zinc/62/78/89/386627889.db2.gz GSFCHYCPRIZIRH-SECBINFHSA-N -1 3 239.319 0.947 20 0 BCADHM CC[C@@H](C)C[C@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000645356115 386656357 /nfs/dbraw/zinc/65/63/57/386656357.db2.gz RNZIVCVXBHWBAE-RKDXNWHRSA-N -1 3 249.318 0.935 20 0 BCADHM CCOCCNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268621679 386670600 /nfs/dbraw/zinc/67/06/00/386670600.db2.gz KNPPAAMAUKRPOJ-UHFFFAOYSA-N -1 3 225.248 0.257 20 0 BCADHM Cc1cc(C(=O)NC[C@@H]2C[C@@H]2C)[n-]c(=O)n1 ZINC000268654881 386674362 /nfs/dbraw/zinc/67/43/62/386674362.db2.gz PKABQAWFBLUPEU-XPUUQOCRSA-N -1 3 221.260 0.876 20 0 BCADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccco2)CO1 ZINC000335469198 386686121 /nfs/dbraw/zinc/68/61/21/386686121.db2.gz FMKNIKRRBMNYOH-JGVFFNPUSA-N -1 3 231.273 0.735 20 0 BCADHM CC[C@H](CO)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000044261579 386719439 /nfs/dbraw/zinc/71/94/39/386719439.db2.gz OOGNMLPMCBXFSD-MRVPVSSYSA-N -1 3 248.279 0.270 20 0 BCADHM Cn1nncc1C[S@](=O)c1cccc([O-])c1 ZINC000357143832 386726613 /nfs/dbraw/zinc/72/66/13/386726613.db2.gz DUHXAXUHCVSJNB-INIZCTEOSA-N -1 3 237.284 0.829 20 0 BCADHM CSCCO[N-]C(=O)c1ccc(=O)[nH]c1 ZINC000280019803 386769377 /nfs/dbraw/zinc/76/93/77/386769377.db2.gz NRMREGHWDVGQFI-UHFFFAOYSA-N -1 3 228.273 0.812 20 0 BCADHM C[C@H](CN(C)C)[N-]S(=O)(=O)c1ccco1 ZINC000344877787 386790694 /nfs/dbraw/zinc/79/06/94/386790694.db2.gz HBWDOLRXNPXDEC-MRVPVSSYSA-N -1 3 232.305 0.508 20 0 BCADHM CO[C@H](C)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000191217607 386778960 /nfs/dbraw/zinc/77/89/60/386778960.db2.gz PVXYYIKNNYZKGO-SSDOTTSWSA-N -1 3 247.320 0.042 20 0 BCADHM C[C@H]1CN(C(=O)c2ccc(O)cc2[O-])CCO1 ZINC000192948891 386802259 /nfs/dbraw/zinc/80/22/59/386802259.db2.gz XNAKGIXTCBXTOE-QMMMGPOBSA-N -1 3 237.255 0.959 20 0 BCADHM CSCCO[N-]C(=O)Cc1cnn(C)c1C ZINC000293383952 386810629 /nfs/dbraw/zinc/81/06/29/386810629.db2.gz ZYZSMAOHRCPXHM-UHFFFAOYSA-N -1 3 243.332 0.682 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)C(C)C)o1 ZINC000330649259 386811312 /nfs/dbraw/zinc/81/13/12/386811312.db2.gz IYLKGGCSYDBQFE-SECBINFHSA-N -1 3 247.316 0.883 20 0 BCADHM CCN(C)CC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330647910 386811773 /nfs/dbraw/zinc/81/17/73/386811773.db2.gz IEKALSHLEJJGJA-UHFFFAOYSA-N -1 3 246.332 0.818 20 0 BCADHM CC(C)n1ccc(NC(=O)c2nnc[n-]2)n1 ZINC000280480889 386815948 /nfs/dbraw/zinc/81/59/48/386815948.db2.gz NVMXIKPDAXIQKS-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM CC(C)n1ccc(NC(=O)c2nc[n-]n2)n1 ZINC000280480889 386815957 /nfs/dbraw/zinc/81/59/57/386815957.db2.gz NVMXIKPDAXIQKS-UHFFFAOYSA-N -1 3 220.236 0.834 20 0 BCADHM O=S(=O)(Cc1ccon1)[N-]CC1(O)CCC1 ZINC000331565306 386870057 /nfs/dbraw/zinc/87/00/57/386870057.db2.gz XRKZPKBUMJISCG-UHFFFAOYSA-N -1 3 246.288 0.009 20 0 BCADHM O=C(CCc1cnccn1)[N-]OCC1CC1 ZINC000293894650 386897834 /nfs/dbraw/zinc/89/78/34/386897834.db2.gz ZAXNJEMJILOPRB-UHFFFAOYSA-N -1 3 221.260 0.867 20 0 BCADHM CCN(C(=O)c1cn(C)c(=O)[n-]c1=O)C1CC1 ZINC000331955728 386930736 /nfs/dbraw/zinc/93/07/36/386930736.db2.gz KQNINCQISGHIAZ-UHFFFAOYSA-N -1 3 237.259 0.110 20 0 BCADHM C[C@@H]1C[C@@H]1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000331970625 386932305 /nfs/dbraw/zinc/93/23/05/386932305.db2.gz NEBNRNQTBIUFBC-RQJHMYQMSA-N -1 3 236.275 0.386 20 0 BCADHM C[C@]1(C(=O)NCc2ncccc2[O-])CCCO1 ZINC000331019521 386935839 /nfs/dbraw/zinc/93/58/39/386935839.db2.gz NOYGAXAJZKLHBE-GFCCVEGCSA-N -1 3 236.271 0.973 20 0 BCADHM CCN(CCCO)C(=O)c1csc(=O)[n-]1 ZINC000330994958 386942305 /nfs/dbraw/zinc/94/23/05/386942305.db2.gz LSCZRHRLJVKOLZ-UHFFFAOYSA-N -1 3 230.289 0.693 20 0 BCADHM C[C@H]1OCC[C@H]1C(=O)NCc1ncccc1[O-] ZINC000331011167 386945623 /nfs/dbraw/zinc/94/56/23/386945623.db2.gz JGQTYPVDIHXKBN-RKDXNWHRSA-N -1 3 236.271 0.828 20 0 BCADHM CNC(=O)CC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358423701 386954384 /nfs/dbraw/zinc/95/43/84/386954384.db2.gz DMMKJQPALXLWDF-UHFFFAOYSA-N -1 3 246.288 0.002 20 0 BCADHM O=S(=O)([N-]C1CCC1)c1ccccn1 ZINC000334896746 386969401 /nfs/dbraw/zinc/96/94/01/386969401.db2.gz BUYCBVCVBSTEOH-UHFFFAOYSA-N -1 3 212.274 0.912 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2O)o1 ZINC000334905961 386979638 /nfs/dbraw/zinc/97/96/38/386979638.db2.gz FLYZSLVNACZXQI-RKDXNWHRSA-N -1 3 245.300 0.780 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358607978 386987310 /nfs/dbraw/zinc/98/73/10/386987310.db2.gz YVVXUEICNKMXDM-SSDOTTSWSA-N -1 3 247.272 0.428 20 0 BCADHM Cc1n[nH]c(C(=O)NCCN2CCCC2)c1[O-] ZINC000648098411 386992141 /nfs/dbraw/zinc/99/21/41/386992141.db2.gz XCTCNWWSWZXWEM-UHFFFAOYSA-N -1 3 238.291 0.249 20 0 BCADHM O=C(Nc1ncccc1[O-])c1nc[nH]n1 ZINC000341896796 386996040 /nfs/dbraw/zinc/99/60/40/386996040.db2.gz BAGOYGVIMFUUAC-UHFFFAOYSA-N -1 3 205.177 0.158 20 0 BCADHM CC[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000334929645 387005723 /nfs/dbraw/zinc/00/57/23/387005723.db2.gz IWRIQWNBRKNAQJ-SECBINFHSA-N -1 3 224.308 0.730 20 0 BCADHM CC(C)C[C@@H](CNC(=O)[C@H](N)C(C)C)C(=O)[O-] ZINC000094704046 386952078 /nfs/dbraw/zinc/95/20/78/386952078.db2.gz NCCNVPVHUVLYCD-VHSXEESVSA-N -1 3 244.335 0.833 20 0 BCADHM CC1(C[N-]S(=O)(=O)c2cscn2)COC1 ZINC000645533937 387035080 /nfs/dbraw/zinc/03/50/80/387035080.db2.gz VAOWUCBWSVKKTJ-UHFFFAOYSA-N -1 3 248.329 0.458 20 0 BCADHM O=S(=O)([N-]CCn1ccnc1)c1ccco1 ZINC000188567423 387041115 /nfs/dbraw/zinc/04/11/15/387041115.db2.gz YIYZEPXALBABRG-UHFFFAOYSA-N -1 3 241.272 0.455 20 0 BCADHM O=C([N-]c1cnoc1)c1cc2n(n1)CCO2 ZINC000643461720 387047790 /nfs/dbraw/zinc/04/77/90/387047790.db2.gz XDDFOCAWKOXXQK-UHFFFAOYSA-N -1 3 220.188 0.516 20 0 BCADHM CCN(C(=O)c1csc(=O)[n-]1)[C@@H](C)CO ZINC000358828346 387019336 /nfs/dbraw/zinc/01/93/36/387019336.db2.gz HYWMFUIUIDZTFJ-LURJTMIESA-N -1 3 230.289 0.692 20 0 BCADHM CCC1([N-]S(=O)(=O)c2c[nH]cn2)CC1 ZINC000336236573 387072590 /nfs/dbraw/zinc/07/25/90/387072590.db2.gz CFLYOVJCAMZMRC-UHFFFAOYSA-N -1 3 215.278 0.631 20 0 BCADHM NC(=O)[C@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000186158376 387073998 /nfs/dbraw/zinc/07/39/98/387073998.db2.gz QXDCOCNGTBZENP-LLVKDONJSA-N -1 3 238.262 0.981 20 0 BCADHM C[C@@H](Cn1ccnc1)N=c1ncnc2[nH][n-]cc1-2 ZINC000359449852 387104487 /nfs/dbraw/zinc/10/44/87/387104487.db2.gz LDECVYJPPBCQSU-QMMMGPOBSA-N -1 3 243.274 0.424 20 0 BCADHM Cc1nnc(N(C)C[C@@H](C)c2nnn[n-]2)nc1C ZINC000359739164 387156977 /nfs/dbraw/zinc/15/69/77/387156977.db2.gz KJZVBBGTIBONEC-ZCFIWIBFSA-N -1 3 248.294 0.241 20 0 BCADHM Cc1nnc(N(C)C[C@@H](C)c2nn[n-]n2)nc1C ZINC000359739164 387156982 /nfs/dbraw/zinc/15/69/82/387156982.db2.gz KJZVBBGTIBONEC-ZCFIWIBFSA-N -1 3 248.294 0.241 20 0 BCADHM Cc1cc(NC([O-])=C(N)C(F)(F)F)ccn1 ZINC000336335095 387160388 /nfs/dbraw/zinc/16/03/88/387160388.db2.gz OOIZKBLDGYRDDI-ZETCQYMHSA-N -1 3 233.193 0.640 20 0 BCADHM Cn1cc(C[N-]S(=O)(=O)c2ccoc2)cn1 ZINC000336341649 387170985 /nfs/dbraw/zinc/17/09/85/387170985.db2.gz LHONGHZOXPQMSZ-UHFFFAOYSA-N -1 3 241.272 0.492 20 0 BCADHM Cc1cccc(C(=O)NC2(CO)CC2)c1[O-] ZINC000161310391 387186735 /nfs/dbraw/zinc/18/67/35/387186735.db2.gz MVVNQSMGMMAXNK-UHFFFAOYSA-N -1 3 221.256 0.955 20 0 BCADHM CCO[N-]C(=O)[C@@]1(N(C)C)CCCSC1 ZINC000367147492 387140662 /nfs/dbraw/zinc/14/06/62/387140662.db2.gz GAJVARXSRAJRFN-SNVBAGLBSA-N -1 3 232.349 0.882 20 0 BCADHM O=S(=O)(CCCF)NCc1ncccc1[O-] ZINC000360012750 387213288 /nfs/dbraw/zinc/21/32/88/387213288.db2.gz WGHRYKODIWUABI-UHFFFAOYSA-N -1 3 248.279 0.566 20 0 BCADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccon2)CO1 ZINC000572116985 387238375 /nfs/dbraw/zinc/23/83/75/387238375.db2.gz NMIYPHSMIAVMOO-IONNQARKSA-N -1 3 246.288 0.271 20 0 BCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CCCC1 ZINC000360181004 387239068 /nfs/dbraw/zinc/23/90/68/387239068.db2.gz AUDAFHPSKFNPPL-UHFFFAOYSA-N -1 3 238.247 0.142 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CC1(C)C ZINC000336420872 387249691 /nfs/dbraw/zinc/24/96/91/387249691.db2.gz QLRXMQCQBADSRW-SSDOTTSWSA-N -1 3 210.281 0.339 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCc2nccn2C1 ZINC000372608010 387315277 /nfs/dbraw/zinc/31/52/77/387315277.db2.gz QJFBQAIBALMPML-QMMMGPOBSA-N -1 3 209.249 0.513 20 0 BCADHM C[C@@]1(C[N-]S(=O)(=O)c2ccco2)CCOC1 ZINC000336428833 387256790 /nfs/dbraw/zinc/25/67/90/387256790.db2.gz DCMNIBLXEWGRSI-JTQLQIEISA-N -1 3 245.300 0.985 20 0 BCADHM CCO[C@H]1C[C@H]1C(=O)NCc1ncccc1[O-] ZINC000352511228 387267386 /nfs/dbraw/zinc/26/73/86/387267386.db2.gz XLUJFBURWBAIOZ-KCJUWKMLSA-N -1 3 236.271 0.828 20 0 BCADHM C[C@@H](C(=O)NCc1ncccc1[O-])n1cncn1 ZINC000352509353 387267498 /nfs/dbraw/zinc/26/74/98/387267498.db2.gz PDSHIGKQVPTBHF-QMMMGPOBSA-N -1 3 247.258 0.256 20 0 BCADHM CCO[C@@H]1C[C@@H]1C(=O)NCc1ncccc1[O-] ZINC000352511227 387267971 /nfs/dbraw/zinc/26/79/71/387267971.db2.gz XLUJFBURWBAIOZ-GZMMTYOYSA-N -1 3 236.271 0.828 20 0 BCADHM Cc1cc(C(=O)NCc2ncccc2[O-])nn1C ZINC000352511511 387268608 /nfs/dbraw/zinc/26/86/08/387268608.db2.gz YPELRBPMKMKWLJ-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM Cn1[n-]c(CN2CCC[C@@H]2C2CCC2)nc1=O ZINC000336447459 387276209 /nfs/dbraw/zinc/27/62/09/387276209.db2.gz UTKYCMQYKWULRR-SNVBAGLBSA-N -1 3 236.319 0.873 20 0 BCADHM O=C(c1cn[n-]n1)N1Cc2ccccc2CO1 ZINC000360393046 387277017 /nfs/dbraw/zinc/27/70/17/387277017.db2.gz GRULYEPPXAXNGD-UHFFFAOYSA-N -1 3 230.227 0.892 20 0 BCADHM CO[C@H](C(=O)[N-]c1nncn1C)C(C)C ZINC000353821568 387280701 /nfs/dbraw/zinc/28/07/01/387280701.db2.gz CZYGZYRHTBTIGJ-ZETCQYMHSA-N -1 3 212.253 0.425 20 0 BCADHM CSCC(=O)NCc1ncccc1[O-] ZINC000352515540 387286808 /nfs/dbraw/zinc/28/68/08/387286808.db2.gz HDKFMVVURDMVET-UHFFFAOYSA-N -1 3 212.274 0.766 20 0 BCADHM O=S(=O)([N-][C@H]1CCOC1)c1ccco1 ZINC000188783909 387300851 /nfs/dbraw/zinc/30/08/51/387300851.db2.gz CBILJUYEIGLEEZ-ZETCQYMHSA-N -1 3 217.246 0.347 20 0 BCADHM COC[C@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000354306057 387357245 /nfs/dbraw/zinc/35/72/45/387357245.db2.gz UOSZISVEOYKWMP-QMMMGPOBSA-N -1 3 230.289 0.395 20 0 BCADHM CC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000336506811 387331226 /nfs/dbraw/zinc/33/12/26/387331226.db2.gz PAYBAWLMAWOYEF-QMMMGPOBSA-N -1 3 210.281 0.483 20 0 BCADHM CN(C)C(=O)[C@H]1CCN(Cc2ncccc2[O-])C1 ZINC000515069884 387332460 /nfs/dbraw/zinc/33/24/60/387332460.db2.gz RHFGRMLCMNCZTN-JTQLQIEISA-N -1 3 249.314 0.697 20 0 BCADHM CN(C)C(=O)[C@@H]1CCN(Cc2ncccc2[O-])C1 ZINC000515069885 387332744 /nfs/dbraw/zinc/33/27/44/387332744.db2.gz RHFGRMLCMNCZTN-SNVBAGLBSA-N -1 3 249.314 0.697 20 0 BCADHM O=C1[N-]C(=O)N2CCN(C3CCCC3)C[C@@H]12 ZINC000336528111 387353765 /nfs/dbraw/zinc/35/37/65/387353765.db2.gz WFPJMEOKUWMECT-VIFPVBQESA-N -1 3 223.276 0.165 20 0 BCADHM CC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000354954472 387452469 /nfs/dbraw/zinc/45/24/69/387452469.db2.gz WATLJUVNIOSXTC-SNVBAGLBSA-N -1 3 247.254 0.396 20 0 BCADHM CCOC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000084675440 387457976 /nfs/dbraw/zinc/45/79/76/387457976.db2.gz ITTGVKAASKTCBS-SSDOTTSWSA-N -1 3 237.321 0.513 20 0 BCADHM COC[C@@H](C)N(C)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000354510625 387387856 /nfs/dbraw/zinc/38/78/56/387387856.db2.gz RKWNJSWKLBPJQL-ZCFIWIBFSA-N -1 3 236.279 0.188 20 0 BCADHM CC(C)(C)OC(=O)CN=c1ncnc2[nH][n-]cc1-2 ZINC000361026223 387392992 /nfs/dbraw/zinc/39/29/92/387392992.db2.gz RXWCLJJIBBOTQO-UHFFFAOYSA-N -1 3 249.274 0.480 20 0 BCADHM CO[C@@H](CN)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000423710532 387400655 /nfs/dbraw/zinc/40/06/55/387400655.db2.gz LDRPMFYYLKYYOF-VIFPVBQESA-N -1 3 244.678 0.958 20 0 BCADHM COc1nc(NC(=O)[C@H](C)C(F)(F)F)n[n-]1 ZINC000352642334 387405159 /nfs/dbraw/zinc/40/51/59/387405159.db2.gz FBQFLEJSYXEPMW-VKHMYHEASA-N -1 3 238.169 0.950 20 0 BCADHM COc1nc(NC(=O)[C@@H](C)C(F)(F)F)n[n-]1 ZINC000352642333 387405973 /nfs/dbraw/zinc/40/59/73/387405973.db2.gz FBQFLEJSYXEPMW-GSVOUGTGSA-N -1 3 238.169 0.950 20 0 BCADHM CC(C)CCOCCS(=O)(=O)c1ncn[n-]1 ZINC000086169677 387519236 /nfs/dbraw/zinc/51/92/36/387519236.db2.gz HCGWSTDJSOBMEH-UHFFFAOYSA-N -1 3 247.320 0.641 20 0 BCADHM CC(C)CCOCCS(=O)(=O)c1nnc[n-]1 ZINC000086169677 387519240 /nfs/dbraw/zinc/51/92/40/387519240.db2.gz HCGWSTDJSOBMEH-UHFFFAOYSA-N -1 3 247.320 0.641 20 0 BCADHM C[C@@H]1C[C@@H](C)N1C(=O)C(=O)[N-]c1cnns1 ZINC000527188717 387521145 /nfs/dbraw/zinc/52/11/45/387521145.db2.gz ZJOKHAYYSAIORI-PHDIDXHHSA-N -1 3 240.288 0.486 20 0 BCADHM C[C@@]1(O)CCCN(Cc2n[n-]c(=O)s2)CC1 ZINC000375359302 387532018 /nfs/dbraw/zinc/53/20/18/387532018.db2.gz CPPKRBXSCAXSRE-SNVBAGLBSA-N -1 3 243.332 0.981 20 0 BCADHM CN(C)S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361781604 387532663 /nfs/dbraw/zinc/53/26/63/387532663.db2.gz NUFQSIIFHQLORI-UHFFFAOYSA-N -1 3 240.235 0.497 20 0 BCADHM CSc1nnc(NC(=O)C2=CCOCC2)[n-]1 ZINC000355418600 387535474 /nfs/dbraw/zinc/53/54/74/387535474.db2.gz JZCUNNDYJLMOOQ-UHFFFAOYSA-N -1 3 240.288 0.812 20 0 BCADHM CSc1n[n-]c(NC(=O)C2=CCOCC2)n1 ZINC000355418600 387535480 /nfs/dbraw/zinc/53/54/80/387535480.db2.gz JZCUNNDYJLMOOQ-UHFFFAOYSA-N -1 3 240.288 0.812 20 0 BCADHM CSc1nc(NC(=O)C2=CCOCC2)n[n-]1 ZINC000355418600 387535484 /nfs/dbraw/zinc/53/54/84/387535484.db2.gz JZCUNNDYJLMOOQ-UHFFFAOYSA-N -1 3 240.288 0.812 20 0 BCADHM CC(=O)NCCCNC(=O)c1ccccc1[O-] ZINC000084847100 387464084 /nfs/dbraw/zinc/46/40/84/387464084.db2.gz STIURYUYSVOFEM-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM C[C@H](O)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000516202170 387479841 /nfs/dbraw/zinc/47/98/41/387479841.db2.gz QLVSDSPCRIBULZ-LURJTMIESA-N -1 3 237.259 0.170 20 0 BCADHM Cn1cnnc1[N-]C(=O)COc1cccnc1 ZINC000361545958 387485602 /nfs/dbraw/zinc/48/56/02/387485602.db2.gz PTKKIWRCSONWSG-UHFFFAOYSA-N -1 3 233.231 0.228 20 0 BCADHM CCc1cnc(CN=c2ncnc3[nH][n-]cc2-3)o1 ZINC000430507566 387620921 /nfs/dbraw/zinc/62/09/21/387620921.db2.gz DAOCFYNZYPLGRU-UHFFFAOYSA-N -1 3 244.258 0.889 20 0 BCADHM Cc1cncc(CNC(=O)c2c[n-]nn2)c1 ZINC000124614725 387624716 /nfs/dbraw/zinc/62/47/16/387624716.db2.gz CHPNVVNJFKRNBV-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1cncc(CNC(=O)c2cnn[n-]2)c1 ZINC000124614725 387624720 /nfs/dbraw/zinc/62/47/20/387624720.db2.gz CHPNVVNJFKRNBV-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1cncc(CNC(=O)c2cn[n-]n2)c1 ZINC000124614725 387624725 /nfs/dbraw/zinc/62/47/25/387624725.db2.gz CHPNVVNJFKRNBV-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM CC(=O)NCCNC(=O)c1cc(C)ccc1[O-] ZINC000035133969 387554339 /nfs/dbraw/zinc/55/43/39/387554339.db2.gz BZHKRIIBOXQZEW-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC(O)(C3CC3)C2)n1 ZINC000375709757 387571961 /nfs/dbraw/zinc/57/19/61/387571961.db2.gz CBFIMOYOJGNLBO-UHFFFAOYSA-N -1 3 249.314 0.701 20 0 BCADHM Cc1ocnc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000355808354 387578610 /nfs/dbraw/zinc/57/86/10/387578610.db2.gz HFMYSAPGZYOPJJ-UHFFFAOYSA-N -1 3 221.220 0.672 20 0 BCADHM CCC1(CO)CCN(Cc2nc(=O)[n-][nH]2)CC1 ZINC000305782557 387652569 /nfs/dbraw/zinc/65/25/69/387652569.db2.gz VPTLHFKZNKLYHY-UHFFFAOYSA-N -1 3 240.307 0.083 20 0 BCADHM C[C@H](CNC(=O)c1c[n-]nn1)C(F)(F)F ZINC000356426852 387657857 /nfs/dbraw/zinc/65/78/57/387657857.db2.gz KADCJWYVYJZVKF-SCSAIBSYSA-N -1 3 222.170 0.733 20 0 BCADHM C[C@H](CNC(=O)c1cnn[n-]1)C(F)(F)F ZINC000356426852 387657864 /nfs/dbraw/zinc/65/78/64/387657864.db2.gz KADCJWYVYJZVKF-SCSAIBSYSA-N -1 3 222.170 0.733 20 0 BCADHM C[C@H](CNC(=O)c1cn[n-]n1)C(F)(F)F ZINC000356426852 387657870 /nfs/dbraw/zinc/65/78/70/387657870.db2.gz KADCJWYVYJZVKF-SCSAIBSYSA-N -1 3 222.170 0.733 20 0 BCADHM Cc1ccc([O-])c(C(=O)NN2CCOCC2)c1 ZINC000072651866 387660370 /nfs/dbraw/zinc/66/03/70/387660370.db2.gz HODWIOTVRPKGBC-UHFFFAOYSA-N -1 3 236.271 0.678 20 0 BCADHM CC[C@@H](O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000126061640 387673343 /nfs/dbraw/zinc/67/33/43/387673343.db2.gz ADCFMNXKRFRYSR-MRVPVSSYSA-N -1 3 234.259 0.459 20 0 BCADHM CCCS(=O)(=O)[N-][C@@H]1COC[C@H]1OCC ZINC000452037287 387708306 /nfs/dbraw/zinc/70/83/06/387708306.db2.gz KNTZDPZISLTQES-RKDXNWHRSA-N -1 3 237.321 0.120 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2CCCN2C)[n-]1 ZINC000356976888 387755931 /nfs/dbraw/zinc/75/59/31/387755931.db2.gz OTGSNTUAVKSQPE-ZCFIWIBFSA-N -1 3 241.320 0.559 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2CCCN2C)n1 ZINC000356976888 387755935 /nfs/dbraw/zinc/75/59/35/387755935.db2.gz OTGSNTUAVKSQPE-ZCFIWIBFSA-N -1 3 241.320 0.559 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CCC2CC2)n1 ZINC000645567834 387830338 /nfs/dbraw/zinc/83/03/38/387830338.db2.gz BZGXCDPRECMRQN-UHFFFAOYSA-N -1 3 229.305 0.499 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000442743755 387832770 /nfs/dbraw/zinc/83/27/70/387832770.db2.gz CLWBZFRNPZBBKE-CBAPKCEASA-N -1 3 235.305 0.062 20 0 BCADHM CC1(C)OC[C@@H]2C[C@@]21N=c1ncnc2[nH][n-]cc1-2 ZINC000528124362 387860184 /nfs/dbraw/zinc/86/01/84/387860184.db2.gz AGMKJHYQTOIMNF-JVXZTZIISA-N -1 3 245.286 0.706 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000528209411 387870416 /nfs/dbraw/zinc/87/04/16/387870416.db2.gz VKLVSSAMHIWWPN-OORONAJNSA-N -1 3 247.302 0.950 20 0 BCADHM CCN(CCO)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448672558 387819016 /nfs/dbraw/zinc/81/90/16/387819016.db2.gz GRAADSPXVCLLHR-UHFFFAOYSA-N -1 3 241.262 0.915 20 0 BCADHM O=C(NC1(CO)CC1)c1ccc(O)cc1[O-] ZINC000163686145 387875407 /nfs/dbraw/zinc/87/54/07/387875407.db2.gz LWFOFBZMHTYPSE-UHFFFAOYSA-N -1 3 223.228 0.353 20 0 BCADHM C[C@@H](CO)NC(=O)c1cccc2nn[n-]c21 ZINC000527105488 387933404 /nfs/dbraw/zinc/93/34/04/387933404.db2.gz UEZXNVMOANCEIO-LURJTMIESA-N -1 3 220.232 0.069 20 0 BCADHM C[C@@H](CO)NC(=O)c1cccc2[n-]nnc21 ZINC000527105488 387933408 /nfs/dbraw/zinc/93/34/08/387933408.db2.gz UEZXNVMOANCEIO-LURJTMIESA-N -1 3 220.232 0.069 20 0 BCADHM C[C@@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC000527105488 387933413 /nfs/dbraw/zinc/93/34/13/387933413.db2.gz UEZXNVMOANCEIO-LURJTMIESA-N -1 3 220.232 0.069 20 0 BCADHM CN1CC[C@@H]2CN(C(=O)c3cncc([O-])c3)C[C@@H]21 ZINC000452981858 387952022 /nfs/dbraw/zinc/95/20/22/387952022.db2.gz AXUGDIFVNZPGHB-SKDRFNHKSA-N -1 3 247.298 0.563 20 0 BCADHM COCC(C)(C)N1CCN(CC(=O)[O-])CC1 ZINC000424265695 387947005 /nfs/dbraw/zinc/94/70/05/387947005.db2.gz KELGSMMJSAVZOZ-UHFFFAOYSA-N -1 3 230.308 0.114 20 0 BCADHM COCC(C)(C)N1CCN([C@H](C)C(=O)[O-])CC1 ZINC000424269165 387949357 /nfs/dbraw/zinc/94/93/57/387949357.db2.gz OUCNPCBDSDNSQQ-SNVBAGLBSA-N -1 3 244.335 0.502 20 0 BCADHM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000445718972 387959608 /nfs/dbraw/zinc/95/96/08/387959608.db2.gz XZJNRJSJXQYXDB-YUMQZZPRSA-N -1 3 233.289 0.717 20 0 BCADHM CC[C@@H](O)CS(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000453026890 387965563 /nfs/dbraw/zinc/96/55/63/387965563.db2.gz NHDXQNBUYIULJO-SSDOTTSWSA-N -1 3 244.316 0.443 20 0 BCADHM CC(C)OCC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000645650240 387957291 /nfs/dbraw/zinc/95/72/91/387957291.db2.gz MAJDOFZKZOTQLT-UHFFFAOYSA-N -1 3 247.320 0.123 20 0 BCADHM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CC[C@H](O)CC1 ZINC000439285103 387991625 /nfs/dbraw/zinc/99/16/25/387991625.db2.gz JCJHMMRTMXLTKQ-ZKCHVHJHSA-N -1 3 226.280 0.246 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2CO[C@@H](C)C2)[n-]1 ZINC000439475699 388003050 /nfs/dbraw/zinc/00/30/50/388003050.db2.gz YZECRAZLGQJJRK-NTSWFWBYSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2CO[C@@H](C)C2)n1 ZINC000439475699 388003055 /nfs/dbraw/zinc/00/30/55/388003055.db2.gz YZECRAZLGQJJRK-NTSWFWBYSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nc(NC(=O)[C@H]2CO[C@@H](C)C2)n[n-]1 ZINC000439475699 388003058 /nfs/dbraw/zinc/00/30/58/388003058.db2.gz YZECRAZLGQJJRK-NTSWFWBYSA-N -1 3 242.304 0.890 20 0 BCADHM CO[C@@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)C1(C)C ZINC000440192697 388035755 /nfs/dbraw/zinc/03/57/55/388035755.db2.gz LMJTUWAGHHKHQU-DTWKUNHWSA-N -1 3 247.302 0.952 20 0 BCADHM Cn1cnc2cc(NC(=O)c3cnn[n-]3)ccc21 ZINC000440535401 388053147 /nfs/dbraw/zinc/05/31/47/388053147.db2.gz VQDKGTMJYBYEDU-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM Cn1cnc2cc(NC(=O)c3c[n-]nn3)ccc21 ZINC000440535401 388053151 /nfs/dbraw/zinc/05/31/51/388053151.db2.gz VQDKGTMJYBYEDU-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM Cn1cnc2cc(NC(=O)c3cn[n-]n3)ccc21 ZINC000440535401 388053153 /nfs/dbraw/zinc/05/31/53/388053153.db2.gz VQDKGTMJYBYEDU-UHFFFAOYSA-N -1 3 242.242 0.944 20 0 BCADHM CSc1nnc(NC(=O)C2CC(C)(O)C2)[n-]1 ZINC000448833523 388114707 /nfs/dbraw/zinc/11/47/07/388114707.db2.gz YHDZACIDXAYQGR-UHFFFAOYSA-N -1 3 242.304 0.626 20 0 BCADHM CSc1n[n-]c(NC(=O)C2CC(C)(O)C2)n1 ZINC000448833523 388114708 /nfs/dbraw/zinc/11/47/08/388114708.db2.gz YHDZACIDXAYQGR-UHFFFAOYSA-N -1 3 242.304 0.626 20 0 BCADHM CSc1nc(NC(=O)C2CC(C)(O)C2)n[n-]1 ZINC000448833523 388114710 /nfs/dbraw/zinc/11/47/10/388114710.db2.gz YHDZACIDXAYQGR-UHFFFAOYSA-N -1 3 242.304 0.626 20 0 BCADHM O=C(Nc1ccc([O-])cc1F)[C@H]1COCCO1 ZINC000085203701 388085161 /nfs/dbraw/zinc/08/51/61/388085161.db2.gz SZLQKOYYDBSHTB-SNVBAGLBSA-N -1 3 241.218 0.885 20 0 BCADHM C[C@@H]1CN(C(=O)c2ncccc2[O-])[C@H](C)CN1 ZINC000086467830 388102801 /nfs/dbraw/zinc/10/28/01/388102801.db2.gz GYFFFLSZGNBWLR-RKDXNWHRSA-N -1 3 235.287 0.610 20 0 BCADHM CC[C@H](CO)NC(=O)c1cccc2nn[n-]c21 ZINC000119114924 388104239 /nfs/dbraw/zinc/10/42/39/388104239.db2.gz XLEJAHZZDDAIOY-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM CC[C@H](CO)NC(=O)c1cccc2[n-]nnc21 ZINC000119114924 388104241 /nfs/dbraw/zinc/10/42/41/388104241.db2.gz XLEJAHZZDDAIOY-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM CC[C@H](CO)NC(=O)c1cccc2n[n-]nc21 ZINC000119114924 388104244 /nfs/dbraw/zinc/10/42/44/388104244.db2.gz XLEJAHZZDDAIOY-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM CCC[C@@H](C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646266924 388173652 /nfs/dbraw/zinc/17/36/52/388173652.db2.gz ZNTPXPVHXQYDAR-ZCFIWIBFSA-N -1 3 222.252 0.827 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1CCCS1 ZINC000646267304 388173901 /nfs/dbraw/zinc/17/39/01/388173901.db2.gz KVIVIURJIOWQQO-YFKPBYRVSA-N -1 3 238.276 0.287 20 0 BCADHM CN(CCC(C)(C)C)Cc1nc(=O)n(C)[n-]1 ZINC000646028724 388128232 /nfs/dbraw/zinc/12/82/32/388128232.db2.gz XHMCRVIFVCLPGX-UHFFFAOYSA-N -1 3 226.324 0.976 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@H]2COC[C@@H]2O)c1 ZINC000323267501 388255909 /nfs/dbraw/zinc/25/59/09/388255909.db2.gz JZKUCUHPMFNFLK-KOLCDFICSA-N -1 3 237.255 0.190 20 0 BCADHM C[C@H](C[S@](C)=O)NC(=O)c1ccccc1[O-] ZINC000164339352 388231830 /nfs/dbraw/zinc/23/18/30/388231830.db2.gz GUBWCTOANVQADG-VPTHRUTESA-N -1 3 241.312 0.889 20 0 BCADHM COc1cncc(/C=C/C(=O)[N-]OCCO)c1 ZINC000492027874 388332070 /nfs/dbraw/zinc/33/20/70/388332070.db2.gz CIVKIDYCCAOTKZ-NSCUHMNNSA-N -1 3 238.243 0.144 20 0 BCADHM CCc1ccc(/C=C\C(=O)[N-]OCCO)o1 ZINC000492035319 388332434 /nfs/dbraw/zinc/33/24/34/388332434.db2.gz WMGDAJGALSNUPV-WAYWQWQTSA-N -1 3 225.244 0.895 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@H](O)C1CCC1 ZINC000451526583 388278891 /nfs/dbraw/zinc/27/88/91/388278891.db2.gz IDCAIIVMLLRBFB-LLVKDONJSA-N -1 3 236.271 0.564 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CCC(O)CC1 ZINC000492341951 388342092 /nfs/dbraw/zinc/34/20/92/388342092.db2.gz OTTRSZSALJSGRC-OWOJBTEDSA-N -1 3 248.282 0.784 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NCCCO ZINC000492366475 388342534 /nfs/dbraw/zinc/34/25/34/388342534.db2.gz UTUREKBIMHNETL-IHWYPQMZSA-N -1 3 222.244 0.299 20 0 BCADHM NC(=O)CO[N-]C(=O)/C=C\c1ccccc1 ZINC000492373216 388342831 /nfs/dbraw/zinc/34/28/31/388342831.db2.gz WDUFPDNMHWSUDP-SREVYHEPSA-N -1 3 220.228 0.233 20 0 BCADHM COC1CN(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000492399060 388343543 /nfs/dbraw/zinc/34/35/43/388343543.db2.gz NCFSXULPPXQFAY-NSCUHMNNSA-N -1 3 234.255 0.658 20 0 BCADHM CO[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000234838085 388360856 /nfs/dbraw/zinc/36/08/56/388360856.db2.gz FINVNWYVMQCOSS-SECBINFHSA-N -1 3 237.255 0.959 20 0 BCADHM C[C@H](O)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646650086 388401992 /nfs/dbraw/zinc/40/19/92/388401992.db2.gz IXWBNLSRSIHSLQ-LURJTMIESA-N -1 3 235.243 0.379 20 0 BCADHM O=C(c1ccccc1[O-])N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000646652013 388402922 /nfs/dbraw/zinc/40/29/22/388402922.db2.gz UINJUKXLPIQNOH-URLYPYJESA-N -1 3 233.267 0.703 20 0 BCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)CO1 ZINC000515056875 256732532 /nfs/dbraw/zinc/73/25/32/256732532.db2.gz PTLNZUYEBMZWNF-RQJHMYQMSA-N -1 3 248.329 0.599 20 0 BCADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cnnn1C ZINC000649229831 388463744 /nfs/dbraw/zinc/46/37/44/388463744.db2.gz OOCFNTJIEAMPSB-UHFFFAOYSA-N -1 3 248.290 0.644 20 0 BCADHM COC[C@@](C)(NCc1cccnc1C)C(=O)[O-] ZINC000336891085 388471506 /nfs/dbraw/zinc/47/15/06/388471506.db2.gz PEJDDGIFFAIFKQ-GFCCVEGCSA-N -1 3 238.287 0.969 20 0 BCADHM CCOC(=O)c1[n-]c(C)nc1NC(=O)COC ZINC000525350889 388426825 /nfs/dbraw/zinc/42/68/25/388426825.db2.gz VQIKLCWFNDEBSQ-UHFFFAOYSA-N -1 3 241.247 0.480 20 0 BCADHM CCOC(=O)c1nc(C)[n-]c1NC(=O)COC ZINC000525350889 388426827 /nfs/dbraw/zinc/42/68/27/388426827.db2.gz VQIKLCWFNDEBSQ-UHFFFAOYSA-N -1 3 241.247 0.480 20 0 BCADHM Cc1nnccc1C(=O)NCc1ncccc1[O-] ZINC000525968677 388430586 /nfs/dbraw/zinc/43/05/86/388430586.db2.gz NISDVFMDOYJSGB-UHFFFAOYSA-N -1 3 244.254 0.816 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)C1COC1 ZINC000528547254 388546255 /nfs/dbraw/zinc/54/62/55/388546255.db2.gz IMVVOYRVIGTUKW-QHOPCYEYSA-N -1 3 249.332 0.117 20 0 BCADHM C[C@H](CO)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000516753695 388516243 /nfs/dbraw/zinc/51/62/43/388516243.db2.gz XQKSDKXDVSAMDJ-ZCFIWIBFSA-N -1 3 237.259 0.170 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CCNC(=O)C1 ZINC000136080065 388521304 /nfs/dbraw/zinc/52/13/04/388521304.db2.gz HIBIGMXWCKODIG-SSDOTTSWSA-N -1 3 235.243 0.252 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1c[n-]nn1 ZINC000529988528 388601342 /nfs/dbraw/zinc/60/13/42/388601342.db2.gz WPFSQMJLBYUKCP-XZMZPDFPSA-N -1 3 224.264 0.346 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cnn[n-]1 ZINC000529988528 388601343 /nfs/dbraw/zinc/60/13/43/388601343.db2.gz WPFSQMJLBYUKCP-XZMZPDFPSA-N -1 3 224.264 0.346 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cn[n-]n1 ZINC000529988528 388601345 /nfs/dbraw/zinc/60/13/45/388601345.db2.gz WPFSQMJLBYUKCP-XZMZPDFPSA-N -1 3 224.264 0.346 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)NCC1COC1 ZINC000530120356 388612138 /nfs/dbraw/zinc/61/21/38/388612138.db2.gz OKEZYADSZKBNKO-UHFFFAOYSA-N -1 3 239.246 0.836 20 0 BCADHM CC(C)CO[C@@H](C)C(=O)[N-]c1nncn1C ZINC000548647210 388551911 /nfs/dbraw/zinc/55/19/11/388551911.db2.gz GUXFUTOTIXQRLZ-QMMMGPOBSA-N -1 3 226.280 0.815 20 0 BCADHM CNC(=O)[C@H]1CCN(Cc2ncccc2[O-])C1 ZINC000517584772 388554257 /nfs/dbraw/zinc/55/42/57/388554257.db2.gz WSQKLPSCKNLDQO-VIFPVBQESA-N -1 3 235.287 0.355 20 0 BCADHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)C1CC1)C(=O)OC ZINC000360609555 388558616 /nfs/dbraw/zinc/55/86/16/388558616.db2.gz DQFSYGMUXGEIFQ-APPZFPTMSA-N -1 3 249.332 0.656 20 0 BCADHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1CC1)C(=O)OC ZINC000360609558 388558669 /nfs/dbraw/zinc/55/86/69/388558669.db2.gz DQFSYGMUXGEIFQ-VXNVDRBHSA-N -1 3 249.332 0.656 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1ncoc1C1CC1 ZINC000549464397 388581362 /nfs/dbraw/zinc/58/13/62/388581362.db2.gz ZHFTXAJUISPXBA-UHFFFAOYSA-N -1 3 219.204 0.922 20 0 BCADHM CC(=O)[N-]O[C@H]1CCN(C2CCCCC2)C1=O ZINC000530159801 388616896 /nfs/dbraw/zinc/61/68/96/388616896.db2.gz JWRCJIAAIORUOS-NSHDSACASA-N -1 3 240.303 0.988 20 0 BCADHM CC[C@@H](O)CNC(=O)c1cc(OC)ccc1[O-] ZINC000126026091 388686124 /nfs/dbraw/zinc/68/61/24/388686124.db2.gz CNKROVZVZQJPGP-MRVPVSSYSA-N -1 3 239.271 0.902 20 0 BCADHM CC[C@@H](C)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530169210 388619163 /nfs/dbraw/zinc/61/91/63/388619163.db2.gz HUYAHPGCAHBTFB-HLTSFMKQSA-N -1 3 201.266 0.959 20 0 BCADHM Cc1cc(C(=O)NC[C@@H](C)O)ccc1[O-] ZINC000226954397 388734733 /nfs/dbraw/zinc/73/47/33/388734733.db2.gz VAIGAHZWQFHGQX-MRVPVSSYSA-N -1 3 209.245 0.811 20 0 BCADHM COc1cccc(CNC(=O)c2c[n-]nn2)n1 ZINC000194617814 388736785 /nfs/dbraw/zinc/73/67/85/388736785.db2.gz UNELYHWXXXFNFE-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1cccc(CNC(=O)c2cnn[n-]2)n1 ZINC000194617814 388736788 /nfs/dbraw/zinc/73/67/88/388736788.db2.gz UNELYHWXXXFNFE-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1cccc(CNC(=O)c2cn[n-]n2)n1 ZINC000194617814 388736790 /nfs/dbraw/zinc/73/67/90/388736790.db2.gz UNELYHWXXXFNFE-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM CSCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522261630 388739434 /nfs/dbraw/zinc/73/94/34/388739434.db2.gz XGHSXIOQWJOFCO-MRVPVSSYSA-N -1 3 243.332 0.368 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-][C@H](C)C(=O)OC ZINC000128344925 388749927 /nfs/dbraw/zinc/74/99/27/388749927.db2.gz QEYLLSMHBLUCIO-JGVFFNPUSA-N -1 3 237.321 0.513 20 0 BCADHM CC[C@@H](C)CS(=O)(=O)[N-][C@H](C)C(=O)OC ZINC000128344676 388750144 /nfs/dbraw/zinc/75/01/44/388750144.db2.gz QEYLLSMHBLUCIO-HTQZYQBOSA-N -1 3 237.321 0.513 20 0 BCADHM CC[C@@H](C)C[C@@H](CO)NC(=O)c1c[n-]nn1 ZINC000649051015 388753465 /nfs/dbraw/zinc/75/34/65/388753465.db2.gz JQJBNPMAZNGCON-SFYZADRCSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@@H](C)C[C@@H](CO)NC(=O)c1cnn[n-]1 ZINC000649051015 388753467 /nfs/dbraw/zinc/75/34/67/388753467.db2.gz JQJBNPMAZNGCON-SFYZADRCSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@@H](C)C[C@@H](CO)NC(=O)c1cn[n-]n1 ZINC000649051015 388753470 /nfs/dbraw/zinc/75/34/70/388753470.db2.gz JQJBNPMAZNGCON-SFYZADRCSA-N -1 3 226.280 0.332 20 0 BCADHM O=C(CN1CCCC1=O)Nc1ccccc1[O-] ZINC000192968521 388690059 /nfs/dbraw/zinc/69/00/59/388690059.db2.gz UNXDVHZUBHUAFX-UHFFFAOYSA-N -1 3 234.255 0.953 20 0 BCADHM CCOCCCCNC(=O)c1c[n-]nn1 ZINC000194207323 388726611 /nfs/dbraw/zinc/72/66/11/388726611.db2.gz MNQCBQALWKWBNT-UHFFFAOYSA-N -1 3 212.253 0.351 20 0 BCADHM CCOCCCCNC(=O)c1cnn[n-]1 ZINC000194207323 388726612 /nfs/dbraw/zinc/72/66/12/388726612.db2.gz MNQCBQALWKWBNT-UHFFFAOYSA-N -1 3 212.253 0.351 20 0 BCADHM CCOCCCCNC(=O)c1cn[n-]n1 ZINC000194207323 388726615 /nfs/dbraw/zinc/72/66/15/388726615.db2.gz MNQCBQALWKWBNT-UHFFFAOYSA-N -1 3 212.253 0.351 20 0 BCADHM Cn1cnc(NC(=O)c2cccc3nn[n-]c32)n1 ZINC000554227235 388804652 /nfs/dbraw/zinc/80/46/52/388804652.db2.gz YNBXPWFBGCQEQU-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM Cn1cnc(NC(=O)c2cccc3[n-]nnc32)n1 ZINC000554227235 388804655 /nfs/dbraw/zinc/80/46/55/388804655.db2.gz YNBXPWFBGCQEQU-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM Cn1cnc(NC(=O)c2cccc3n[n-]nc32)n1 ZINC000554227235 388804659 /nfs/dbraw/zinc/80/46/59/388804659.db2.gz YNBXPWFBGCQEQU-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM C[C@@H]1CN(c2ccncc2C(=O)[O-])CC[C@H]1O ZINC000253172499 388807102 /nfs/dbraw/zinc/80/71/02/388807102.db2.gz BLKAGTIDWHUCIW-LDYMZIIASA-N -1 3 236.271 0.987 20 0 BCADHM CN(CC[S@](=O)c1ccccc1)CC(=O)[O-] ZINC000564218882 388762279 /nfs/dbraw/zinc/76/22/79/388762279.db2.gz MRUGFBAWLQDSLD-INIZCTEOSA-N -1 3 241.312 0.811 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCCO1 ZINC000230193234 388819149 /nfs/dbraw/zinc/81/91/49/388819149.db2.gz FSHWTSVEVDKKIC-UHFFFAOYSA-N -1 3 209.201 0.875 20 0 BCADHM C[C@H]1OCC[C@@]1(C)NC(=O)c1c[n-]nn1 ZINC000230180455 388819841 /nfs/dbraw/zinc/81/98/41/388819841.db2.gz NYPYOUZLCYLVAC-HZGVNTEJSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H]1OCC[C@@]1(C)NC(=O)c1cnn[n-]1 ZINC000230180455 388819845 /nfs/dbraw/zinc/81/98/45/388819845.db2.gz NYPYOUZLCYLVAC-HZGVNTEJSA-N -1 3 210.237 0.102 20 0 BCADHM C[C@H]1OCC[C@@]1(C)NC(=O)c1cn[n-]n1 ZINC000230180455 388819847 /nfs/dbraw/zinc/81/98/47/388819847.db2.gz NYPYOUZLCYLVAC-HZGVNTEJSA-N -1 3 210.237 0.102 20 0 BCADHM CCCN1CCC[C@H]1C(=O)N[C@H](CC)C(=O)[O-] ZINC000555637200 388858573 /nfs/dbraw/zinc/85/85/73/388858573.db2.gz ALKDDWUCEOFGDY-ZJUUUORDSA-N -1 3 242.319 0.840 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCC1CC1 ZINC000523757783 388859220 /nfs/dbraw/zinc/85/92/20/388859220.db2.gz ZLVUGZHHORXPNF-JTQLQIEISA-N -1 3 237.303 0.805 20 0 BCADHM CO[C@H]1C[C@@H](N(C)C(=O)c2cc(=O)[n-]cn2)C1 ZINC000627138332 388845429 /nfs/dbraw/zinc/84/54/29/388845429.db2.gz HIDRLLJHRAAHLC-OCAPTIKFSA-N -1 3 237.259 0.432 20 0 BCADHM O=C(N[C@H]1COCc2ccccc21)c1c[n-]nn1 ZINC000565293370 388935238 /nfs/dbraw/zinc/93/52/38/388935238.db2.gz VKTWLZXOKHBJEU-NSHDSACASA-N -1 3 244.254 0.806 20 0 BCADHM O=C(N[C@H]1COCc2ccccc21)c1cn[n-]n1 ZINC000565293370 388935244 /nfs/dbraw/zinc/93/52/44/388935244.db2.gz VKTWLZXOKHBJEU-NSHDSACASA-N -1 3 244.254 0.806 20 0 BCADHM O=C(N[C@H]1COCc2ccccc21)c1cnn[n-]1 ZINC000565293370 388935241 /nfs/dbraw/zinc/93/52/41/388935241.db2.gz VKTWLZXOKHBJEU-NSHDSACASA-N -1 3 244.254 0.806 20 0 BCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000566059945 388985711 /nfs/dbraw/zinc/98/57/11/388985711.db2.gz JSTBCJNXMHVNAI-RNFRBKRXSA-N -1 3 235.243 0.237 20 0 BCADHM Cc1nnc(CCNC(=O)c2ccccc2[O-])[nH]1 ZINC000264306078 388991182 /nfs/dbraw/zinc/99/11/82/388991182.db2.gz AZPKHUDIUMXXNK-UHFFFAOYSA-N -1 3 246.270 0.791 20 0 BCADHM CCC1(CNC(=O)c2cn[n-]n2)CCOCC1 ZINC000266641798 388996507 /nfs/dbraw/zinc/99/65/07/388996507.db2.gz CDHYVFQPLSXFLL-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM CCC1(CNC(=O)c2c[n-]nn2)CCOCC1 ZINC000266641798 388996502 /nfs/dbraw/zinc/99/65/02/388996502.db2.gz CDHYVFQPLSXFLL-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM CCC1(CNC(=O)c2cnn[n-]2)CCOCC1 ZINC000266641798 388996504 /nfs/dbraw/zinc/99/65/04/388996504.db2.gz CDHYVFQPLSXFLL-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM CC(C)(O)CCNC(=O)c1c([O-])cccc1O ZINC000275053810 389052348 /nfs/dbraw/zinc/05/23/48/389052348.db2.gz VUTJKDHRGAUFGB-UHFFFAOYSA-N -1 3 239.271 0.989 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCc2nnnn2C)c1 ZINC000275257408 389054875 /nfs/dbraw/zinc/05/48/75/389054875.db2.gz QTIDVZDUMPCHDN-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM Oc1[n-]c(N2CCC[C@H](F)C2)nc2nncc1-2 ZINC000329745512 132244553 /nfs/dbraw/zinc/24/45/53/132244553.db2.gz YLECWXUVBVOGDH-LURJTMIESA-N -1 3 237.238 0.997 20 0 BCADHM CC[C@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)CCO1 ZINC000354526090 132269634 /nfs/dbraw/zinc/26/96/34/132269634.db2.gz KLNCIZGMIXBCDE-ZETCQYMHSA-N -1 3 248.290 0.332 20 0 BCADHM Cc1nc(C)c(CC(=O)NC[C@@H]2C[C@@H]2C)c(=O)[n-]1 ZINC000032746721 133745423 /nfs/dbraw/zinc/74/54/23/133745423.db2.gz GQSIIAALBDMCIK-XVKPBYJWSA-N -1 3 249.314 0.701 20 0 BCADHM O=C(NCc1ncccc1[O-])N[C@H]1CCOC1 ZINC000349734370 133904437 /nfs/dbraw/zinc/90/44/37/133904437.db2.gz LSDNPOJVKBJMCU-QMMMGPOBSA-N -1 3 237.259 0.375 20 0 BCADHM CN1CCC[C@H](NC(=O)c2cccc([O-])c2)C1=O ZINC000335961157 134027156 /nfs/dbraw/zinc/02/71/56/134027156.db2.gz YRLARLYQASLCHY-NSHDSACASA-N -1 3 248.282 0.743 20 0 BCADHM Cn1c(=O)[n-]nc1SC[C@@H]1CCOC1 ZINC000335988927 134039400 /nfs/dbraw/zinc/03/94/00/134039400.db2.gz UHQQOSDPIJFHEM-ZCFIWIBFSA-N -1 3 215.278 0.649 20 0 BCADHM CC[C@@H]1[C@@H](C)CCN1Cc1nc(=O)n(C)[n-]1 ZINC000336078269 134073782 /nfs/dbraw/zinc/07/37/82/134073782.db2.gz TYJZJIRRNUCQNT-DTWKUNHWSA-N -1 3 224.308 0.729 20 0 BCADHM CC[C@H]1[C@H](C)CCN1Cc1nc(=O)n(C)[n-]1 ZINC000336078268 134073798 /nfs/dbraw/zinc/07/37/98/134073798.db2.gz TYJZJIRRNUCQNT-BDAKNGLRSA-N -1 3 224.308 0.729 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)CC1CCCC1 ZINC000178371346 134309285 /nfs/dbraw/zinc/30/92/85/134309285.db2.gz HHHNJOHDDRDVDR-MRVPVSSYSA-N -1 3 249.332 0.658 20 0 BCADHM CCCSCC(=O)Nc1nnc(OC)[n-]1 ZINC000179360278 134316402 /nfs/dbraw/zinc/31/64/02/134316402.db2.gz AVICKVMNFIGOSP-UHFFFAOYSA-N -1 3 230.293 0.895 20 0 BCADHM CCCSCC(=O)Nc1n[n-]c(OC)n1 ZINC000179360278 134316403 /nfs/dbraw/zinc/31/64/03/134316403.db2.gz AVICKVMNFIGOSP-UHFFFAOYSA-N -1 3 230.293 0.895 20 0 BCADHM Cc1ccc(NC(=O)Cn2cn[nH]c2=O)c([O-])c1 ZINC000180506254 134329811 /nfs/dbraw/zinc/32/98/11/134329811.db2.gz VGUYFGDIDLDNFL-UHFFFAOYSA-N -1 3 248.242 0.224 20 0 BCADHM Cn1cnnc1CNCc1cc([O-])cc(F)c1 ZINC000223116797 134336987 /nfs/dbraw/zinc/33/69/87/134336987.db2.gz DWXBIYHRDIOQHT-UHFFFAOYSA-N -1 3 236.250 0.950 20 0 BCADHM O=C(NCCn1cccc1)c1c[n-]nn1 ZINC000225021276 134352996 /nfs/dbraw/zinc/35/29/96/134352996.db2.gz SXZVDFMMNFGNSZ-UHFFFAOYSA-N -1 3 205.221 0.036 20 0 BCADHM O=C(NCCn1cccc1)c1cnn[n-]1 ZINC000225021276 134352997 /nfs/dbraw/zinc/35/29/97/134352997.db2.gz SXZVDFMMNFGNSZ-UHFFFAOYSA-N -1 3 205.221 0.036 20 0 BCADHM O=C(NCCn1cccc1)c1cn[n-]n1 ZINC000225021276 134352998 /nfs/dbraw/zinc/35/29/98/134352998.db2.gz SXZVDFMMNFGNSZ-UHFFFAOYSA-N -1 3 205.221 0.036 20 0 BCADHM Cc1ncc(C(=O)[N-]c2nc[nH]n2)s1 ZINC000225529596 134353781 /nfs/dbraw/zinc/35/37/81/134353781.db2.gz VJILWWXQNDXJHB-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H]2CNC(=O)C2)c1 ZINC000226711607 134370669 /nfs/dbraw/zinc/37/06/69/134370669.db2.gz SDQBBICGXFEESS-MRVPVSSYSA-N -1 3 234.255 0.319 20 0 BCADHM Cc1cc(C(=O)NC2(CO)CC2)ccc1[O-] ZINC000227042083 134373665 /nfs/dbraw/zinc/37/36/65/134373665.db2.gz SQCKEUMZWJBBIL-UHFFFAOYSA-N -1 3 221.256 0.955 20 0 BCADHM C[C@@H](CC(N)=O)NC(=O)c1cccc([O-])c1 ZINC000163677164 135044971 /nfs/dbraw/zinc/04/49/71/135044971.db2.gz KVXCSYSSCCTNOO-ZETCQYMHSA-N -1 3 222.244 0.386 20 0 BCADHM O=C(NC1(CO)CC1)c1cccc([O-])c1 ZINC000163686390 135045985 /nfs/dbraw/zinc/04/59/85/135045985.db2.gz ZQYRXSYISCWDKG-UHFFFAOYSA-N -1 3 207.229 0.647 20 0 BCADHM CCCN(C)CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000261577648 135219026 /nfs/dbraw/zinc/21/90/26/135219026.db2.gz LGTKKKABPCTGIM-VIFPVBQESA-N -1 3 228.292 0.404 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCN(CC(F)F)CC1 ZINC000261579591 135220963 /nfs/dbraw/zinc/22/09/63/135220963.db2.gz MJGWNWLRJGEYED-MRVPVSSYSA-N -1 3 236.262 0.732 20 0 BCADHM CCC[C@@H](NC(=O)CN(C)CCC)C(=O)[O-] ZINC000261586954 135227909 /nfs/dbraw/zinc/22/79/09/135227909.db2.gz RKHACEADVMSOGX-SECBINFHSA-N -1 3 230.308 0.698 20 0 BCADHM CCCN(C)CC(=O)N(CCC)CC(=O)[O-] ZINC000261594918 135234805 /nfs/dbraw/zinc/23/48/05/135234805.db2.gz XTMLIHSIINTFPA-UHFFFAOYSA-N -1 3 230.308 0.651 20 0 BCADHM COC(=O)[C@@H]([N-]S(=O)(=O)C1CC1)C1CC1 ZINC000342285470 135255699 /nfs/dbraw/zinc/25/56/99/135255699.db2.gz BVKXFTBCNXWDPV-QMMMGPOBSA-N -1 3 233.289 0.020 20 0 BCADHM O=C([O-])CNC(=O)CN1CCC[C@@H]1C1CCC1 ZINC000262190387 135284493 /nfs/dbraw/zinc/28/44/93/135284493.db2.gz GRFWWYQHHFNKFM-SNVBAGLBSA-N -1 3 240.303 0.452 20 0 BCADHM CC[C@@H]1CN([C@@H](C)C(=O)[O-])CCN1CCOC ZINC000262226857 135285967 /nfs/dbraw/zinc/28/59/67/135285967.db2.gz LJLNXURJPZNKSV-WDEREUQCSA-N -1 3 244.335 0.502 20 0 BCADHM CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)[O-] ZINC000262245043 135287348 /nfs/dbraw/zinc/28/73/48/135287348.db2.gz CFZLESMPEXUPCT-NXEZZACHSA-N -1 3 244.335 0.942 20 0 BCADHM CCCN(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000262243778 135287613 /nfs/dbraw/zinc/28/76/13/135287613.db2.gz PGXLFEJRAJOWRL-SNVBAGLBSA-N -1 3 244.335 0.944 20 0 BCADHM C[C@H](N(C)CC(=O)NCC(=O)[O-])C1(C)CC1 ZINC000262273480 135289240 /nfs/dbraw/zinc/28/92/40/135289240.db2.gz VGYCGPSQBOVRQO-QMMMGPOBSA-N -1 3 228.292 0.308 20 0 BCADHM CC(C)C[C@@H]1CCN(CC(=O)NCC(=O)[O-])C1 ZINC000262208238 135289411 /nfs/dbraw/zinc/28/94/11/135289411.db2.gz JGEJSGSYFJYATC-JTQLQIEISA-N -1 3 242.319 0.555 20 0 BCADHM CCC[C@]1(C)C(=O)NCCN1CCCC(=O)[O-] ZINC000262829941 135320651 /nfs/dbraw/zinc/32/06/51/135320651.db2.gz ZNQRMQHUPDRZFZ-GFCCVEGCSA-N -1 3 242.319 0.842 20 0 BCADHM CC[C@@H]1CCCCN1Cc1nc(=O)n(C)[n-]1 ZINC000334363902 135373518 /nfs/dbraw/zinc/37/35/18/135373518.db2.gz FQOIOROSIBGFMN-SECBINFHSA-N -1 3 224.308 0.873 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCNC(=O)C2)n1 ZINC000346005489 135908816 /nfs/dbraw/zinc/90/88/16/135908816.db2.gz YNMVGLJSTYKTBF-QMMMGPOBSA-N -1 3 249.270 0.560 20 0 BCADHM FC(F)[C@@H]1C[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000348220597 136047306 /nfs/dbraw/zinc/04/73/06/136047306.db2.gz ITFNSUWLONBZMA-XINAWCOVSA-N -1 3 225.202 0.792 20 0 BCADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCC(=O)N1 ZINC000335342431 136064855 /nfs/dbraw/zinc/06/48/55/136064855.db2.gz QWLKXKPWJRQVIS-ZETCQYMHSA-N -1 3 238.218 0.748 20 0 BCADHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccn(C)n2)C1 ZINC000335382174 136087904 /nfs/dbraw/zinc/08/79/04/136087904.db2.gz ZIXZWSMPLFXEAV-RKDXNWHRSA-N -1 3 243.332 0.887 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)n1 ZINC000335395980 136092599 /nfs/dbraw/zinc/09/25/99/136092599.db2.gz DXPBNAZMBZAHRY-JGVFFNPUSA-N -1 3 247.295 0.589 20 0 BCADHM COC1CN(C(=O)c2cccc([O-])c2)C1 ZINC000335550943 136098201 /nfs/dbraw/zinc/09/82/01/136098201.db2.gz SAXRWSWZWJAGKB-UHFFFAOYSA-N -1 3 207.229 0.863 20 0 BCADHM C[C@H](C(=O)N(CCN(C)C)CC(=O)[O-])C1CC1 ZINC000225906559 322857170 /nfs/dbraw/zinc/85/71/70/322857170.db2.gz WRNLOROZUQMROF-VIFPVBQESA-N -1 3 242.319 0.507 20 0 BCADHM COc1cccc(C(=O)Nc2nc[nH]n2)c1[O-] ZINC000057378602 322857851 /nfs/dbraw/zinc/85/78/51/322857851.db2.gz OULVHIYFLFICBO-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM C[C@@H](O)C(C)(C)NC(=O)c1ccc(O)cc1[O-] ZINC000167134793 397800990 /nfs/dbraw/zinc/80/09/90/397800990.db2.gz UOXDCRRSHJUNFQ-SSDOTTSWSA-N -1 3 239.271 0.987 20 0 BCADHM COC[C@@H]1CN(Cc2n[n-]c(=O)s2)CCO1 ZINC000367447035 397933772 /nfs/dbraw/zinc/93/37/72/397933772.db2.gz ISXONQOXRMQJEC-ZETCQYMHSA-N -1 3 245.304 0.091 20 0 BCADHM COC[C@H]1CN(Cc2n[n-]c(=O)s2)CCO1 ZINC000367447034 397933920 /nfs/dbraw/zinc/93/39/20/397933920.db2.gz ISXONQOXRMQJEC-SSDOTTSWSA-N -1 3 245.304 0.091 20 0 BCADHM CC(=O)N1CC[C@@H](C(=O)Nc2ccncc2[O-])C1 ZINC000408163405 397957482 /nfs/dbraw/zinc/95/74/82/397957482.db2.gz DLNAARLOZIJIEM-SECBINFHSA-N -1 3 249.270 0.016 20 0 BCADHM CN(C)[C@@H](CNC(=O)C(=O)[O-])c1ccccc1 ZINC000274205632 398003088 /nfs/dbraw/zinc/00/30/88/398003088.db2.gz VIJUVEMKENJAGJ-JTQLQIEISA-N -1 3 236.271 0.490 20 0 BCADHM CN(CC1(CO)CC1)c1nc2nncc-2c(O)[n-]1 ZINC000275487452 398021376 /nfs/dbraw/zinc/02/13/76/398021376.db2.gz QMWBPKBDAIIGPM-UHFFFAOYSA-N -1 3 249.274 0.267 20 0 BCADHM O=C(NCCF)c1cccc2nn[n-]c21 ZINC000555890157 398022662 /nfs/dbraw/zinc/02/26/62/398022662.db2.gz GJVZLZNFTUPILE-UHFFFAOYSA-N -1 3 208.196 0.657 20 0 BCADHM O=C(NCCF)c1cccc2[n-]nnc21 ZINC000555890157 398022665 /nfs/dbraw/zinc/02/26/65/398022665.db2.gz GJVZLZNFTUPILE-UHFFFAOYSA-N -1 3 208.196 0.657 20 0 BCADHM O=C(NCCF)c1cccc2n[n-]nc21 ZINC000555890157 398022668 /nfs/dbraw/zinc/02/26/68/398022668.db2.gz GJVZLZNFTUPILE-UHFFFAOYSA-N -1 3 208.196 0.657 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CCCO1)c1cscn1 ZINC000564906522 398049016 /nfs/dbraw/zinc/04/90/16/398049016.db2.gz XSXNSMAXJHYEEZ-ZETCQYMHSA-N -1 3 248.329 0.600 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000598690844 398034740 /nfs/dbraw/zinc/03/47/40/398034740.db2.gz QHMFGAHAZIFUHM-RXMQYKEDSA-N -1 3 242.206 0.218 20 0 BCADHM CN(C)Cc1ccc(NC(=O)C(=O)[O-])cc1 ZINC000083903394 398035460 /nfs/dbraw/zinc/03/54/60/398035460.db2.gz HPIHHAADZSKCJV-UHFFFAOYSA-N -1 3 222.244 0.771 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@H]1CCC(C)(C)O1 ZINC000278267204 398037152 /nfs/dbraw/zinc/03/71/52/398037152.db2.gz ALWFYSVRROVEAF-SSDOTTSWSA-N -1 3 224.264 0.711 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1cnn(C)c1 ZINC000361055934 397972906 /nfs/dbraw/zinc/97/29/06/397972906.db2.gz XSSLQDVEOFAKAU-SSDOTTSWSA-N -1 3 243.274 0.633 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](O)[C@H]2C)n1 ZINC000650190272 397973468 /nfs/dbraw/zinc/97/34/68/397973468.db2.gz KAJKDQSLNONXBN-PSASIEDQSA-N -1 3 237.303 0.700 20 0 BCADHM CC(C)Cc1noc([C@H]2CCS(=O)(=O)[N-]2)n1 ZINC000650211685 397987166 /nfs/dbraw/zinc/98/71/66/397987166.db2.gz QIKYTBSQACKSOX-SSDOTTSWSA-N -1 3 245.304 0.632 20 0 BCADHM CC(C)n1cnc([N-]C(=O)c2cncnc2)n1 ZINC000650284819 398061018 /nfs/dbraw/zinc/06/10/18/398061018.db2.gz ZXEQWHRVEMTCRF-UHFFFAOYSA-N -1 3 232.247 0.901 20 0 BCADHM CO[C@@H](C)C[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000224115722 398102627 /nfs/dbraw/zinc/10/26/27/398102627.db2.gz KKXOSTMRHYIGMG-QMMMGPOBSA-N -1 3 248.304 0.437 20 0 BCADHM O=C(NCc1ccc2c(c1)OCO2)c1c[n-]nn1 ZINC000048888736 398119406 /nfs/dbraw/zinc/11/94/06/398119406.db2.gz ALJABRZLKZUYRC-UHFFFAOYSA-N -1 3 246.226 0.463 20 0 BCADHM O=C(NCc1ccc2c(c1)OCO2)c1cnn[n-]1 ZINC000048888736 398119409 /nfs/dbraw/zinc/11/94/09/398119409.db2.gz ALJABRZLKZUYRC-UHFFFAOYSA-N -1 3 246.226 0.463 20 0 BCADHM O=C(NCc1ccc2c(c1)OCO2)c1cn[n-]n1 ZINC000048888736 398119412 /nfs/dbraw/zinc/11/94/12/398119412.db2.gz ALJABRZLKZUYRC-UHFFFAOYSA-N -1 3 246.226 0.463 20 0 BCADHM C[C@@H]1CSC[C@H]1NC(=O)c1c[n-]nn1 ZINC000306846392 176355327 /nfs/dbraw/zinc/35/53/27/176355327.db2.gz JYJDYGCEPFAKCW-IYSWYEEDSA-N -1 3 212.278 0.286 20 0 BCADHM C[C@@H]1CSC[C@H]1NC(=O)c1cnn[n-]1 ZINC000306846392 176355328 /nfs/dbraw/zinc/35/53/28/176355328.db2.gz JYJDYGCEPFAKCW-IYSWYEEDSA-N -1 3 212.278 0.286 20 0 BCADHM C[C@@H]1CSC[C@H]1NC(=O)c1cn[n-]n1 ZINC000306846392 176355329 /nfs/dbraw/zinc/35/53/29/176355329.db2.gz JYJDYGCEPFAKCW-IYSWYEEDSA-N -1 3 212.278 0.286 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1CC1(C)C ZINC000662344328 409657453 /nfs/dbraw/zinc/65/74/53/409657453.db2.gz HDFOVNITUSENCM-QMMMGPOBSA-N -1 3 224.308 0.586 20 0 BCADHM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CC1(C)C ZINC000662345659 409661425 /nfs/dbraw/zinc/66/14/25/409661425.db2.gz KKACYTVIMQCLDS-ZETCQYMHSA-N -1 3 210.281 0.988 20 0 BCADHM CC[C@H](NC(=O)c1c[n-]nn1)[C@@H]1CCCCO1 ZINC000655344833 409919461 /nfs/dbraw/zinc/91/94/61/409919461.db2.gz NVVXJCBAMWZAOT-WPRPVWTQSA-N -1 3 238.291 0.882 20 0 BCADHM CC[C@H](NC(=O)c1cnn[n-]1)[C@@H]1CCCCO1 ZINC000655344833 409919466 /nfs/dbraw/zinc/91/94/66/409919466.db2.gz NVVXJCBAMWZAOT-WPRPVWTQSA-N -1 3 238.291 0.882 20 0 BCADHM CC[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CCCCO1 ZINC000655344833 409919471 /nfs/dbraw/zinc/91/94/71/409919471.db2.gz NVVXJCBAMWZAOT-WPRPVWTQSA-N -1 3 238.291 0.882 20 0 BCADHM CNC(=O)COc1ccc2c([O-])coc2c1 ZINC000057524313 410178508 /nfs/dbraw/zinc/17/85/08/410178508.db2.gz BKAOEVLFSQKXJG-UHFFFAOYSA-N -1 3 221.212 0.387 20 0 BCADHM C[C@@H](O)C[C@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000655392846 410195362 /nfs/dbraw/zinc/19/53/62/410195362.db2.gz AUBFZRWJXBGPHP-DTWKUNHWSA-N -1 3 238.287 0.605 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@@H]1CCOC1 ZINC000655393617 410198315 /nfs/dbraw/zinc/19/83/15/410198315.db2.gz NMBMWXKTRRIGGL-SECBINFHSA-N -1 3 222.244 0.235 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CC[C@H](F)C1 ZINC000655404324 410209075 /nfs/dbraw/zinc/20/90/75/410209075.db2.gz KQTVCILRANIFLE-VIFPVBQESA-N -1 3 224.235 0.900 20 0 BCADHM Cn1c(=O)[n-]nc1SC[C@H]1COCCO1 ZINC000663949521 410401030 /nfs/dbraw/zinc/40/10/30/410401030.db2.gz RWQPDJBMGRSSFF-ZCFIWIBFSA-N -1 3 231.277 0.028 20 0 BCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1csc(=O)[n-]1 ZINC000472154485 487617429 /nfs/dbraw/zinc/61/74/29/487617429.db2.gz JRZGWNOOYQXUFI-JKMUOGBPSA-N -1 3 240.284 0.898 20 0 BCADHM CC(C)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000269299031 167129559 /nfs/dbraw/zinc/12/95/59/167129559.db2.gz QSGKUNWQNBFDEW-UHFFFAOYSA-N -1 3 237.712 0.760 20 0 BCADHM CC(C)ONC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000295502040 167278140 /nfs/dbraw/zinc/27/81/40/167278140.db2.gz GRDWEBLMBSVZCO-UHFFFAOYSA-N -1 3 248.238 0.640 20 0 BCADHM CN(C)C1(CNc2cncc(C(=O)[O-])n2)CC1 ZINC000397940997 410938715 /nfs/dbraw/zinc/93/87/15/410938715.db2.gz QHWITSFDFRFFGE-UHFFFAOYSA-N -1 3 236.275 0.681 20 0 BCADHM C[C@@H]1C[C@H](Nc2ccncc2C(=O)[O-])CO1 ZINC000401926765 411175234 /nfs/dbraw/zinc/17/52/34/411175234.db2.gz IJNLQQJXPWQEBD-SFYZADRCSA-N -1 3 222.244 0.791 20 0 BCADHM CC(C)[C@@H]1C(=O)NCCN1CC1(C(=O)[O-])CC1 ZINC000652409569 411232445 /nfs/dbraw/zinc/23/24/45/411232445.db2.gz NETCGIMAXFSFJH-SECBINFHSA-N -1 3 240.303 0.308 20 0 BCADHM CCN(CC)CC(=O)N(CC(=O)[O-])C1CCC1 ZINC000655588562 411165899 /nfs/dbraw/zinc/16/58/99/411165899.db2.gz IHIMMCHPMTYBMZ-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM CCCN(C)CC(=O)N(CC(=O)[O-])C1CCC1 ZINC000655588573 411166057 /nfs/dbraw/zinc/16/60/57/411166057.db2.gz IVSSBEXIOYFSLL-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM C[C@]1(C(=O)[O-])CCCN1CCCS(C)(=O)=O ZINC000070652812 411284795 /nfs/dbraw/zinc/28/47/95/411284795.db2.gz GUGKNGMYWXICPK-SNVBAGLBSA-N -1 3 249.332 0.360 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC(=O)N(C)C2)c1 ZINC000299669580 411302801 /nfs/dbraw/zinc/30/28/01/411302801.db2.gz PAKHJEQAPLIUSK-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM C[C@@H]1CN(CCC2CC2)C[C@H](C(=O)[O-])O1 ZINC000652510018 411260696 /nfs/dbraw/zinc/26/06/96/411260696.db2.gz PRZYRZXLXQNDHK-PSASIEDQSA-N -1 3 213.277 0.960 20 0 BCADHM C[C@H](C(=O)[O-])N1CCO[C@@](C)(C2CC2)C1 ZINC000656758478 411353258 /nfs/dbraw/zinc/35/32/58/411353258.db2.gz ZQDGPIOFFYWZLV-LDYMZIIASA-N -1 3 213.277 0.960 20 0 BCADHM Cn1cncc1CN1CC2CC1(C(=O)[O-])C2 ZINC000656761244 411345155 /nfs/dbraw/zinc/34/51/55/411345155.db2.gz QBKGXANFUGLSQM-UHFFFAOYSA-N -1 3 221.260 0.469 20 0 BCADHM O=C([O-])C12CC(C1)CN2C[C@@H](O)C(F)(F)F ZINC000656761262 411346897 /nfs/dbraw/zinc/34/68/97/411346897.db2.gz QXOHRHCICLLRIL-NAJVVJGSSA-N -1 3 239.193 0.459 20 0 BCADHM C[C@@H]1CCCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662200390 411375595 /nfs/dbraw/zinc/37/55/95/411375595.db2.gz HUKWIZNVUXMECG-ZJUUUORDSA-N -1 3 240.303 0.546 20 0 BCADHM CC1CN(C(=O)CNC(=O)c2cccc([O-])c2)C1 ZINC000336578077 168188924 /nfs/dbraw/zinc/18/89/24/168188924.db2.gz HAVMGMAFKYXKHA-UHFFFAOYSA-N -1 3 248.282 0.600 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)c1ccco1 ZINC000275520843 168208786 /nfs/dbraw/zinc/20/87/86/168208786.db2.gz VIJHTFGBJZEXJY-UHFFFAOYSA-N -1 3 217.246 0.537 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)c1cnc(C)s1 ZINC000275365438 168208902 /nfs/dbraw/zinc/20/89/02/168208902.db2.gz JMCSBIVRUKNFNP-UHFFFAOYSA-N -1 3 248.329 0.709 20 0 BCADHM CCC(=O)N[C@H]1CCCN([C@H](C)C(=O)[O-])C1 ZINC000309694887 168240641 /nfs/dbraw/zinc/24/06/41/168240641.db2.gz QXUUGAUKODTSFB-BDAKNGLRSA-N -1 3 228.292 0.450 20 0 BCADHM CCC(C)(C)CC(=O)Nc1[n-]nnc1C(N)=O ZINC000331309243 168274019 /nfs/dbraw/zinc/27/40/19/168274019.db2.gz BMJIFFVQBKXDGY-UHFFFAOYSA-N -1 3 239.279 0.668 20 0 BCADHM CCC(C)(C)CC(=O)Nc1nn[n-]c1C(N)=O ZINC000331309243 168274021 /nfs/dbraw/zinc/27/40/21/168274021.db2.gz BMJIFFVQBKXDGY-UHFFFAOYSA-N -1 3 239.279 0.668 20 0 BCADHM CCC(C)(C)CC(=O)Nc1n[n-]nc1C(N)=O ZINC000331309243 168274024 /nfs/dbraw/zinc/27/40/24/168274024.db2.gz BMJIFFVQBKXDGY-UHFFFAOYSA-N -1 3 239.279 0.668 20 0 BCADHM CCC(C)(C)N(C)C(=O)C[C@H]1NC(=O)[N-]C1=O ZINC000358433205 168282801 /nfs/dbraw/zinc/28/28/01/168282801.db2.gz DTGCYUSNWZVCPM-SSDOTTSWSA-N -1 3 241.291 0.232 20 0 BCADHM CCC(C)(CC)NC(=O)CN1CC(=O)[N-]C1=O ZINC000134938961 168307575 /nfs/dbraw/zinc/30/75/75/168307575.db2.gz ZKJLZHYQEVSXNU-UHFFFAOYSA-N -1 3 241.291 0.233 20 0 BCADHM O=c1[nH][n-]c2c1CCN(Cc1ccccc1)C2 ZINC000118591629 411397628 /nfs/dbraw/zinc/39/76/28/411397628.db2.gz ADAIEKAITRRAEN-NSHDSACASA-N -1 3 229.283 0.994 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C/C=C/CO)o1 ZINC000657086117 411404170 /nfs/dbraw/zinc/40/41/70/411404170.db2.gz YNMNTQMMRBMYST-NSCUHMNNSA-N -1 3 231.273 0.415 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)C1CC1 ZINC000657172865 411414200 /nfs/dbraw/zinc/41/42/00/411414200.db2.gz KEUZIYROUFCHTG-SECBINFHSA-N -1 3 243.332 0.887 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C(=O)[O-] ZINC000655562087 411516483 /nfs/dbraw/zinc/51/64/83/411516483.db2.gz RPEDJKGYDGVWST-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000660049426 411531460 /nfs/dbraw/zinc/53/14/60/411531460.db2.gz WGVLESVEZMDKGL-VIFPVBQESA-N -1 3 229.305 0.877 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@]2(C)CC2(C)C)n1 ZINC000660051400 411531719 /nfs/dbraw/zinc/53/17/19/411531719.db2.gz XIKWVACMKCPMAE-JTQLQIEISA-N -1 3 243.332 0.887 20 0 BCADHM CCN1CN(Cc2nc(C)ccc2[O-])CC1=O ZINC000330099505 170026965 /nfs/dbraw/zinc/02/69/65/170026965.db2.gz DCGMYRNFYRCGDI-UHFFFAOYSA-N -1 3 235.287 0.717 20 0 BCADHM CCN1C[C@@H](C)N(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC000341126726 170028121 /nfs/dbraw/zinc/02/81/21/170028121.db2.gz LQQBIIMUVSSHFA-RKDXNWHRSA-N -1 3 239.323 0.425 20 0 BCADHM CCNC(=O)CC(=O)Nc1ncccc1[O-] ZINC000341899705 170048183 /nfs/dbraw/zinc/04/81/83/170048183.db2.gz JFZUZNJMRJVKMM-UHFFFAOYSA-N -1 3 223.232 0.252 20 0 BCADHM CCNC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000038027568 170058936 /nfs/dbraw/zinc/05/89/36/170058936.db2.gz FKBMVOJUCSWRBW-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM CCNC(=O)CNC(=O)c1cc(C)ccc1[O-] ZINC000035141164 170063723 /nfs/dbraw/zinc/06/37/23/170063723.db2.gz PPEBBMKXWWSEEU-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM CC[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000355628067 170137161 /nfs/dbraw/zinc/13/71/61/170137161.db2.gz RFQJLDXGWVAOCM-UHFFFAOYSA-N -1 3 229.305 0.518 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)CCC1CC1 ZINC000120908918 170226060 /nfs/dbraw/zinc/22/60/60/170226060.db2.gz BRUVCRVCNOYCSR-UHFFFAOYSA-N -1 3 235.305 0.269 20 0 BCADHM CCOC(=O)c1nnsc1[N-]C(=O)COC ZINC000357125165 170309800 /nfs/dbraw/zinc/30/98/00/170309800.db2.gz FFDOKGMTMWRSSK-UHFFFAOYSA-N -1 3 245.260 0.300 20 0 BCADHM CCOCC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000127263472 170347891 /nfs/dbraw/zinc/34/78/91/170347891.db2.gz DGFUTENDNKMWKH-UHFFFAOYSA-N -1 3 249.274 0.785 20 0 BCADHM CCOCC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000127263472 170347893 /nfs/dbraw/zinc/34/78/93/170347893.db2.gz DGFUTENDNKMWKH-UHFFFAOYSA-N -1 3 249.274 0.785 20 0 BCADHM CCOCCCC(=O)Nc1nnc(OC)[n-]1 ZINC000126793507 170366323 /nfs/dbraw/zinc/36/63/23/170366323.db2.gz KTZUWJTXJNAYLU-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM CCOCCCC(=O)Nc1n[n-]c(OC)n1 ZINC000126793507 170366324 /nfs/dbraw/zinc/36/63/24/170366324.db2.gz KTZUWJTXJNAYLU-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM CCOCCCC(=O)Nc1nc(OC)n[n-]1 ZINC000126793507 170366326 /nfs/dbraw/zinc/36/63/26/170366326.db2.gz KTZUWJTXJNAYLU-UHFFFAOYSA-N -1 3 228.252 0.569 20 0 BCADHM O=C([N-]c1nncn1C1CC1)c1ccon1 ZINC000329126071 411625749 /nfs/dbraw/zinc/62/57/49/411625749.db2.gz UAXDGAVBTRFFEL-UHFFFAOYSA-N -1 3 219.204 0.853 20 0 BCADHM Cn1[n-]c([C@H]2CCCN2Cc2cn[nH]c2)nc1=N ZINC000660470958 411590296 /nfs/dbraw/zinc/59/02/96/411590296.db2.gz PSALFMNNPKYSJQ-SECBINFHSA-N -1 3 247.306 0.288 20 0 BCADHM O=c1[n-]c(CNC2(CCO)CCCC2)n[nH]1 ZINC000660682748 411617068 /nfs/dbraw/zinc/61/70/68/411617068.db2.gz SOKJSDREFRCEBX-UHFFFAOYSA-N -1 3 226.280 0.295 20 0 BCADHM CCOC(=O)c1coc(C[N-]c2nnco2)c1 ZINC000351566454 411707009 /nfs/dbraw/zinc/70/70/09/411707009.db2.gz CWEMFPDQIYVIRW-UHFFFAOYSA-N -1 3 237.215 1.451 20 0 BCADHM CCO[C@@H]1COC[C@H]1[N-]c1nnc(C(C)C)o1 ZINC000583674717 411713634 /nfs/dbraw/zinc/71/36/34/411713634.db2.gz COXXUAMQSCHCNN-RKDXNWHRSA-N -1 3 241.291 1.409 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)CC1(O)CCCC1 ZINC000660848622 411656035 /nfs/dbraw/zinc/65/60/35/411656035.db2.gz JIYLYPSWHKVXRR-UHFFFAOYSA-N -1 3 227.264 0.512 20 0 BCADHM CO[C@]1(C[N-]c2nnc(C(F)F)o2)CCOC1 ZINC000580270647 411678723 /nfs/dbraw/zinc/67/87/23/411678723.db2.gz KJCJYIYCDLKBTI-VIFPVBQESA-N -1 3 249.217 1.225 20 0 BCADHM CC[C@H]([N-]c1noc(C(C)(C)C)n1)C(=O)NC ZINC000450939754 411753630 /nfs/dbraw/zinc/75/36/30/411753630.db2.gz KSZDXHOBYRKSCG-ZETCQYMHSA-N -1 3 240.307 1.304 20 0 BCADHM Cc1conc1C(=O)[N-]c1n[nH]c(C)n1 ZINC000630924432 411773139 /nfs/dbraw/zinc/77/31/39/411773139.db2.gz RIBFHQIHHHJKMY-UHFFFAOYSA-N -1 3 207.193 0.662 20 0 BCADHM Cc1cn(C)nc1NC(=O)c1nnc[n-]1 ZINC000620924793 411726383 /nfs/dbraw/zinc/72/63/83/411726383.db2.gz VPJLLSDKRNSNDI-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM Cc1cn(C)nc1NC(=O)c1nc[n-]n1 ZINC000620924793 411726385 /nfs/dbraw/zinc/72/63/85/411726385.db2.gz VPJLLSDKRNSNDI-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM Cc1nnc([N-]C(=O)c2ccncn2)s1 ZINC000487601833 411796491 /nfs/dbraw/zinc/79/64/91/411796491.db2.gz FJMZDMPCIUOGTO-UHFFFAOYSA-N -1 3 221.245 0.889 20 0 BCADHM CC1(C)OCC[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000562539718 411890396 /nfs/dbraw/zinc/89/03/96/411890396.db2.gz ZQQMDBZKENXQQO-ZETCQYMHSA-N -1 3 248.290 0.288 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)C1(CO)CC1 ZINC000664270310 411906006 /nfs/dbraw/zinc/90/60/06/411906006.db2.gz DRWFKSVMPFHTJH-SSDOTTSWSA-N -1 3 233.275 0.299 20 0 BCADHM C[C@@H]1C[C@@H]1CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000381649691 411912143 /nfs/dbraw/zinc/91/21/43/411912143.db2.gz RKBBCIVPEPMDPF-PHDIDXHHSA-N -1 3 218.264 0.377 20 0 BCADHM Nc1nc(=NCC[C@@H]2CCOC2)nc2[nH][n-]cc1-2 ZINC000544847597 411923936 /nfs/dbraw/zinc/92/39/36/411923936.db2.gz LXEFXFAADKMEPP-SSDOTTSWSA-N -1 3 248.290 0.147 20 0 BCADHM Nc1nc(=NCc2cccs2)nc2[nH][n-]cc1-2 ZINC000341921243 411924978 /nfs/dbraw/zinc/92/49/78/411924978.db2.gz TVFGWASXZVKIIW-UHFFFAOYSA-N -1 3 246.299 0.982 20 0 BCADHM CC(C)[C@H](C)CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354589091 411877576 /nfs/dbraw/zinc/87/75/76/411877576.db2.gz SBBKBCNQMLFZMF-SSDOTTSWSA-N -1 3 234.307 1.013 20 0 BCADHM CC(C)[C@@]1(C)C[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000572491404 411878526 /nfs/dbraw/zinc/87/85/26/411878526.db2.gz VHWRRZWLJRFDIX-QPUJVOFHSA-N -1 3 246.318 1.155 20 0 BCADHM CC(C)CC1(NCc2nc(=O)n(C)[n-]2)CC1 ZINC000662072088 411971144 /nfs/dbraw/zinc/97/11/44/411971144.db2.gz OXQXGQYDIDQOHY-UHFFFAOYSA-N -1 3 224.308 0.777 20 0 BCADHM Nc1ncncc1CNC(=O)c1ccccc1[O-] ZINC000436610835 411985771 /nfs/dbraw/zinc/98/57/71/411985771.db2.gz XTXMPSINURROIX-UHFFFAOYSA-N -1 3 244.254 0.694 20 0 BCADHM C[C@@H]1CCCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662201499 412023566 /nfs/dbraw/zinc/02/35/66/412023566.db2.gz TVBUIQPXXMNTJL-ZJUUUORDSA-N -1 3 240.303 0.404 20 0 BCADHM CCCCN(CC)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662201420 412023973 /nfs/dbraw/zinc/02/39/73/412023973.db2.gz REYJYTOGQXKQPP-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM CC[C@H](C)N(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662204045 412024075 /nfs/dbraw/zinc/02/40/75/412024075.db2.gz SXMGKWFCIHFHMG-DTWKUNHWSA-N -1 3 228.292 0.402 20 0 BCADHM CCCCN(CC)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662201418 412024487 /nfs/dbraw/zinc/02/44/87/412024487.db2.gz REYJYTOGQXKQPP-JTQLQIEISA-N -1 3 242.319 0.794 20 0 BCADHM CC[C@H](C)N(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662204046 412024688 /nfs/dbraw/zinc/02/46/88/412024688.db2.gz SXMGKWFCIHFHMG-IUCAKERBSA-N -1 3 228.292 0.402 20 0 BCADHM CC1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC000662200468 412024773 /nfs/dbraw/zinc/02/47/73/412024773.db2.gz IWUFVPAALXVXSJ-JTQLQIEISA-N -1 3 240.303 0.404 20 0 BCADHM CCCCN(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662200800 412024846 /nfs/dbraw/zinc/02/48/46/412024846.db2.gz KTSHNWXWHDKBBM-SECBINFHSA-N -1 3 228.292 0.404 20 0 BCADHM CC(C)[C@@H](C)N(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662204717 412025692 /nfs/dbraw/zinc/02/56/92/412025692.db2.gz VPRKVQWEMAEGPE-ZJUUUORDSA-N -1 3 242.319 0.648 20 0 BCADHM O=c1cc(-c2noc([C@H]3[C@@H]4COC[C@@H]43)n2)nc[n-]1 ZINC000664910382 412044830 /nfs/dbraw/zinc/04/48/30/412044830.db2.gz DOLNFSMUFLZCND-KPCSLPGQSA-N -1 3 246.226 0.592 20 0 BCADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000331424142 171142819 /nfs/dbraw/zinc/14/28/19/171142819.db2.gz BPOMVAVYRNNTAJ-RKDXNWHRSA-N -1 3 243.332 0.980 20 0 BCADHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccco1 ZINC000188709787 171184017 /nfs/dbraw/zinc/18/40/17/171184017.db2.gz PVSHSPZMCQPBAH-SECBINFHSA-N -1 3 233.289 0.719 20 0 BCADHM CC[C@@](C)(OC)C(=O)Nc1nnc(OC)[n-]1 ZINC000234005825 171191144 /nfs/dbraw/zinc/19/11/44/171191144.db2.gz MZDQJQUCOJGSMA-SECBINFHSA-N -1 3 228.252 0.567 20 0 BCADHM CC[C@@](C)(OC)C(=O)Nc1n[n-]c(OC)n1 ZINC000234005825 171191146 /nfs/dbraw/zinc/19/11/46/171191146.db2.gz MZDQJQUCOJGSMA-SECBINFHSA-N -1 3 228.252 0.567 20 0 BCADHM CC[C@@](C)(OC)C(=O)Nc1nc(OC)n[n-]1 ZINC000234005825 171191149 /nfs/dbraw/zinc/19/11/49/171191149.db2.gz MZDQJQUCOJGSMA-SECBINFHSA-N -1 3 228.252 0.567 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCOC(C)(C)C1 ZINC000037374594 171237408 /nfs/dbraw/zinc/23/74/08/171237408.db2.gz OJUFXEZPBMAVMM-MRVPVSSYSA-N -1 3 201.266 0.960 20 0 BCADHM CC[C@H](C(N)=O)N1CCC(C(=O)[O-])CC1 ZINC000061678111 171243369 /nfs/dbraw/zinc/24/33/69/171243369.db2.gz HGPJAQGVMYVJHV-MRVPVSSYSA-N -1 3 214.265 0.047 20 0 BCADHM Cn1[n-]c(CN2CC3CC2(C)C3)nc1=O ZINC000662385212 412138586 /nfs/dbraw/zinc/13/85/86/412138586.db2.gz NNGRNTOXKYQNNG-UHFFFAOYSA-N -1 3 208.265 0.093 20 0 BCADHM Cn1cnc([N-]C(=O)c2ccc(F)cn2)n1 ZINC000356417954 412157194 /nfs/dbraw/zinc/15/71/94/412157194.db2.gz HZEQDYIIXJWUBQ-UHFFFAOYSA-N -1 3 221.195 0.602 20 0 BCADHM Cc1cc(C)nc(NCc2cnc(C)[n-]c2=O)n1 ZINC000564143066 412316440 /nfs/dbraw/zinc/31/64/40/412316440.db2.gz JZUMYXRADCKOBI-UHFFFAOYSA-N -1 3 245.286 1.510 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)ncn1 ZINC000523695498 412333894 /nfs/dbraw/zinc/33/38/94/412333894.db2.gz OPYRJLNXMALHML-SECBINFHSA-N -1 3 233.275 0.709 20 0 BCADHM CCC(C)(C)c1nnc([N-][C@@H]2COC[C@@H]2O)o1 ZINC000641679773 412336515 /nfs/dbraw/zinc/33/65/15/412336515.db2.gz CBOCUOPFCAIKNS-SFYZADRCSA-N -1 3 241.291 0.929 20 0 BCADHM COC(=O)c1ccc(C(=O)Nc2ccn(C)n2)[n-]1 ZINC000431674211 412340187 /nfs/dbraw/zinc/34/01/87/412340187.db2.gz ROZTUQKFZDMAFX-UHFFFAOYSA-N -1 3 248.242 0.787 20 0 BCADHM O=C(NCc1ncccc1[O-])Nc1cccnn1 ZINC000344022342 412340584 /nfs/dbraw/zinc/34/05/84/412340584.db2.gz AGNLMNSJJGIZOW-UHFFFAOYSA-N -1 3 245.242 0.899 20 0 BCADHM NCc1cc(=O)[n-]c(CNC(=O)C2CC=CC2)n1 ZINC000662945970 412350760 /nfs/dbraw/zinc/35/07/60/412350760.db2.gz LJRNCTNDZRVOIK-UHFFFAOYSA-N -1 3 248.286 0.223 20 0 BCADHM CC[C@@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662753192 412291102 /nfs/dbraw/zinc/29/11/02/412291102.db2.gz POSDGIVYQXPASX-SSDOTTSWSA-N -1 3 238.291 0.303 20 0 BCADHM CC[C@@H](C)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000662753192 412291104 /nfs/dbraw/zinc/29/11/04/412291104.db2.gz POSDGIVYQXPASX-SSDOTTSWSA-N -1 3 238.291 0.303 20 0 BCADHM CN(C)CCNC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663114666 412385266 /nfs/dbraw/zinc/38/52/66/412385266.db2.gz HXXPTEVDGWDGRK-NSHDSACASA-N -1 3 228.292 0.165 20 0 BCADHM CCCn1nccc1C[N-]c1nnc(CO)o1 ZINC000663256352 412402795 /nfs/dbraw/zinc/40/27/95/412402795.db2.gz MQLCXNHTHXARMT-UHFFFAOYSA-N -1 3 237.263 0.781 20 0 BCADHM CCc1noc(C)c1C(=O)[N-]c1nc[nH]n1 ZINC000058386803 172076334 /nfs/dbraw/zinc/07/63/34/172076334.db2.gz JGWPHHZKSKQOEE-UHFFFAOYSA-N -1 3 221.220 0.916 20 0 BCADHM CCn1cc(CN[C@](C)(COC)C(=O)[O-])cn1 ZINC000336892709 172175877 /nfs/dbraw/zinc/17/58/77/172175877.db2.gz SJWPUJZJHPUWCU-LLVKDONJSA-N -1 3 241.291 0.482 20 0 BCADHM CCn1cc(NC(=O)c2nc[n-]n2)cn1 ZINC000087441801 172183840 /nfs/dbraw/zinc/18/38/40/172183840.db2.gz IPPAMBMGAUDRJL-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]CC[C@@H](C)F)cn1 ZINC000339035443 172191309 /nfs/dbraw/zinc/19/13/09/172191309.db2.gz OQUQNNHNCMXXGE-MRVPVSSYSA-N -1 3 249.311 0.929 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]CC2CC2)nc1C ZINC000331807219 172191743 /nfs/dbraw/zinc/19/17/43/172191743.db2.gz AQUNDFBUDBMNHW-UHFFFAOYSA-N -1 3 243.332 0.900 20 0 BCADHM CCn1cnnc1[N-]C(=O)C1(OC)CCC1 ZINC000286009258 172238178 /nfs/dbraw/zinc/23/81/78/172238178.db2.gz YXCILXWZLHJPNM-UHFFFAOYSA-N -1 3 224.264 0.806 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@]1(C)CCCO1 ZINC000285754049 172239622 /nfs/dbraw/zinc/23/96/22/172239622.db2.gz KCILTJTYENQPAQ-JTQLQIEISA-N -1 3 224.264 0.806 20 0 BCADHM CCn1ncnc1CNCc1nc(C)ccc1[O-] ZINC000355575500 172282392 /nfs/dbraw/zinc/28/23/92/172282392.db2.gz ABAOTCWWQCVJLR-UHFFFAOYSA-N -1 3 247.302 0.997 20 0 BCADHM CCn1nncc1C(=O)Nc1nc(C)ccc1[O-] ZINC000294440141 172291003 /nfs/dbraw/zinc/29/10/03/172291003.db2.gz XULLNVXNCWPASC-UHFFFAOYSA-N -1 3 247.258 0.959 20 0 BCADHM CN(C(=O)c1cccc([O-])c1)[C@@H]1CCNC1=O ZINC000334538984 172342650 /nfs/dbraw/zinc/34/26/50/172342650.db2.gz ZNAVWGKMLRWIRL-SNVBAGLBSA-N -1 3 234.255 0.353 20 0 BCADHM CN(C)C(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000054299832 172365556 /nfs/dbraw/zinc/36/55/56/172365556.db2.gz CKGYMIMQCBMWEA-VIFPVBQESA-N -1 3 228.292 0.261 20 0 BCADHM CN(C)C(=O)CS(=O)(=O)c1cccc([O-])c1 ZINC000184003122 172374713 /nfs/dbraw/zinc/37/47/13/172374713.db2.gz HFPPQPUBUNNTDY-UHFFFAOYSA-N -1 3 243.284 0.254 20 0 BCADHM CN(C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC000158255386 172408986 /nfs/dbraw/zinc/40/89/86/172408986.db2.gz ACFJXWAGSUYEMQ-UHFFFAOYSA-N -1 3 220.272 0.778 20 0 BCADHM CN1CCCN(c2ncc(C(=O)[O-])s2)CC1 ZINC000054909781 173018653 /nfs/dbraw/zinc/01/86/53/173018653.db2.gz SRCOGFPDKADNGJ-UHFFFAOYSA-N -1 3 241.316 0.983 20 0 BCADHM CN1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000227451434 173057357 /nfs/dbraw/zinc/05/73/57/173057357.db2.gz VXOWISSOOYLCJG-VIFPVBQESA-N -1 3 235.287 0.611 20 0 BCADHM CN1CC[C@@H](NC(=O)c2ccccc2[O-])C1=O ZINC000172550019 173124451 /nfs/dbraw/zinc/12/44/51/173124451.db2.gz ROWFMHSWUQGNBA-SECBINFHSA-N -1 3 234.255 0.353 20 0 BCADHM CN1CN(Cc2cc([O-])cc(F)c2)CC1=O ZINC000336608474 173179460 /nfs/dbraw/zinc/17/94/60/173179460.db2.gz MNUYUGFNCJNRCU-UHFFFAOYSA-N -1 3 224.235 0.763 20 0 BCADHM CN1C[C@@H](NCc2cc([O-])cc(F)c2)CC1=O ZINC000274433536 173186106 /nfs/dbraw/zinc/18/61/06/173186106.db2.gz NDMWNYLKZXVJCK-JTQLQIEISA-N -1 3 238.262 0.852 20 0 BCADHM CNC(=O)CCN(C)C(=O)c1ccccc1[O-] ZINC000170797891 173246033 /nfs/dbraw/zinc/24/60/33/173246033.db2.gz JFJVZMDBYXSLDY-UHFFFAOYSA-N -1 3 236.271 0.600 20 0 BCADHM CNC(=O)CCN(C)Cc1nc(C)ccc1[O-] ZINC000219773365 173250755 /nfs/dbraw/zinc/25/07/55/173250755.db2.gz KWJVBLPQBZFWOQ-UHFFFAOYSA-N -1 3 237.303 0.664 20 0 BCADHM CNC(=O)CCNC(=O)c1cccc([O-])c1 ZINC000045010765 173259232 /nfs/dbraw/zinc/25/92/32/173259232.db2.gz VHRCUMIYWRRPDQ-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@@H](C)C(C)C ZINC000297681062 173314739 /nfs/dbraw/zinc/31/47/39/173314739.db2.gz HXQCFSDSEBLLIW-LURJTMIESA-N -1 3 239.279 0.395 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@@H](C)C(C)C ZINC000297681062 173314741 /nfs/dbraw/zinc/31/47/41/173314741.db2.gz HXQCFSDSEBLLIW-LURJTMIESA-N -1 3 239.279 0.395 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@@H](C)C(C)C ZINC000297681062 173314742 /nfs/dbraw/zinc/31/47/42/173314742.db2.gz HXQCFSDSEBLLIW-LURJTMIESA-N -1 3 239.279 0.395 20 0 BCADHM COC1CN(C(=O)c2ccccc2[O-])C1 ZINC000334245055 174034904 /nfs/dbraw/zinc/03/49/04/174034904.db2.gz DNUQXDMJHHZAEF-UHFFFAOYSA-N -1 3 207.229 0.863 20 0 BCADHM COCC1(C(=O)Nc2n[n-]c(OC)n2)CC1 ZINC000352647849 174090560 /nfs/dbraw/zinc/09/05/60/174090560.db2.gz ZPMPPWMGXNULMK-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM COCC1(C(=O)Nc2nnc(OC)[n-]2)CC1 ZINC000352647849 174090563 /nfs/dbraw/zinc/09/05/63/174090563.db2.gz ZPMPPWMGXNULMK-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM COCC1(C(=O)Nc2nc(OC)n[n-]2)CC1 ZINC000352647849 174090565 /nfs/dbraw/zinc/09/05/65/174090565.db2.gz ZPMPPWMGXNULMK-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM COCCC1(CNC(=O)c2c[n-]nn2)CC1 ZINC000163945894 174153907 /nfs/dbraw/zinc/15/39/07/174153907.db2.gz DTFRFJIYTGECQH-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM COCCC1(CNC(=O)c2cnn[n-]2)CC1 ZINC000163945894 174153908 /nfs/dbraw/zinc/15/39/08/174153908.db2.gz DTFRFJIYTGECQH-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM COCCC1(CNC(=O)c2cn[n-]n2)CC1 ZINC000163945894 174153910 /nfs/dbraw/zinc/15/39/10/174153910.db2.gz DTFRFJIYTGECQH-UHFFFAOYSA-N -1 3 224.264 0.351 20 0 BCADHM COCCCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267797578 174166910 /nfs/dbraw/zinc/16/69/10/174166910.db2.gz AFZJEXIHCKGMMJ-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM COCCCC(=O)Nc1nnc(SC)[n-]1 ZINC000263881106 174168324 /nfs/dbraw/zinc/16/83/24/174168324.db2.gz SYJAJMSOCBCYQA-UHFFFAOYSA-N -1 3 230.293 0.892 20 0 BCADHM COCCCC(=O)Nc1nc(SC)n[n-]1 ZINC000263881106 174168325 /nfs/dbraw/zinc/16/83/25/174168325.db2.gz SYJAJMSOCBCYQA-UHFFFAOYSA-N -1 3 230.293 0.892 20 0 BCADHM COCCCC(=O)Nc1n[n-]c(SC)n1 ZINC000263881106 174168327 /nfs/dbraw/zinc/16/83/27/174168327.db2.gz SYJAJMSOCBCYQA-UHFFFAOYSA-N -1 3 230.293 0.892 20 0 BCADHM COCCCN(C)CCN=c1nc(C)[n-]s1 ZINC000336763065 174215112 /nfs/dbraw/zinc/21/51/12/174215112.db2.gz LVKPHMFQHLEGPZ-UHFFFAOYSA-N -1 3 244.364 0.649 20 0 BCADHM COCCCO[N-]C(=O)CCc1cncn1C ZINC000287953274 174255505 /nfs/dbraw/zinc/25/55/05/174255505.db2.gz WRXQVAXWSPZZPJ-UHFFFAOYSA-N -1 3 241.291 0.437 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000376380231 174255871 /nfs/dbraw/zinc/25/58/71/174255871.db2.gz FVUYKEZVCCUBSC-GXSJLCMTSA-N -1 3 229.276 0.497 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1CC12CCOCC2 ZINC000376368342 174255880 /nfs/dbraw/zinc/25/58/80/174255880.db2.gz SPMOGWIXVIOJIB-SNVBAGLBSA-N -1 3 243.303 0.887 20 0 BCADHM COCCN(C)CCCN=c1nc(C)[n-]s1 ZINC000336778623 174275387 /nfs/dbraw/zinc/27/53/87/174275387.db2.gz LVAQZVKMEKFOCY-UHFFFAOYSA-N -1 3 244.364 0.649 20 0 BCADHM COCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000154901275 174323717 /nfs/dbraw/zinc/32/37/17/174323717.db2.gz WCDLVYMYIYMNNA-UHFFFAOYSA-N -1 3 242.250 0.977 20 0 BCADHM COCCNC(=O)c1cccc(OC)c1[O-] ZINC000019837157 174329114 /nfs/dbraw/zinc/32/91/14/174329114.db2.gz LCCIYXSUOHVFDU-UHFFFAOYSA-N -1 3 225.244 0.777 20 0 BCADHM CO[C@@H](C)C(=O)[N-]c1nncn1C1CC1 ZINC000285855170 174682258 /nfs/dbraw/zinc/68/22/58/174682258.db2.gz PKVCERFFQVDWMZ-LURJTMIESA-N -1 3 210.237 0.586 20 0 BCADHM COc1cc([C@@H](C)NC(=O)c2c[n-]nn2)ccn1 ZINC000359917362 175012871 /nfs/dbraw/zinc/01/28/71/175012871.db2.gz SCSSSLIYRBFZSN-SSDOTTSWSA-N -1 3 247.258 0.699 20 0 BCADHM COc1cc([C@@H](C)NC(=O)c2cnn[n-]2)ccn1 ZINC000359917362 175012872 /nfs/dbraw/zinc/01/28/72/175012872.db2.gz SCSSSLIYRBFZSN-SSDOTTSWSA-N -1 3 247.258 0.699 20 0 BCADHM COc1cc([C@@H](C)NC(=O)c2cn[n-]n2)ccn1 ZINC000359917362 175012873 /nfs/dbraw/zinc/01/28/73/175012873.db2.gz SCSSSLIYRBFZSN-SSDOTTSWSA-N -1 3 247.258 0.699 20 0 BCADHM COc1ccc(C(=O)NCc2nc[nH]n2)c([O-])c1 ZINC000037920251 175061433 /nfs/dbraw/zinc/06/14/33/175061433.db2.gz KHJJJGXNOWKKGN-UHFFFAOYSA-N -1 3 248.242 0.449 20 0 BCADHM COc1ccc(C(=O)NCc2nnc[nH]2)c([O-])c1 ZINC000037920251 175061434 /nfs/dbraw/zinc/06/14/34/175061434.db2.gz KHJJJGXNOWKKGN-UHFFFAOYSA-N -1 3 248.242 0.449 20 0 BCADHM COc1ccc(C(=O)N[C@@H](C)CCO)c([O-])c1 ZINC000122713309 175062283 /nfs/dbraw/zinc/06/22/83/175062283.db2.gz HHCPRLHNWPIJGC-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM COc1cccc(C(=O)N(C)[C@@H](C)CO)c1[O-] ZINC000122506013 175242397 /nfs/dbraw/zinc/24/23/97/175242397.db2.gz BJUVTOBEODIWAW-QMMMGPOBSA-N -1 3 239.271 0.854 20 0 BCADHM COc1cccc(C(=O)NC2(CO)CC2)c1[O-] ZINC000160360534 175244101 /nfs/dbraw/zinc/24/41/01/175244101.db2.gz QLMYAROSZPLPQN-UHFFFAOYSA-N -1 3 237.255 0.656 20 0 BCADHM COc1cccc(C(=O)NC[C@H](C)CO)c1[O-] ZINC000086627281 175245223 /nfs/dbraw/zinc/24/52/23/175245223.db2.gz JCMDCSYLVWBWAE-QMMMGPOBSA-N -1 3 239.271 0.759 20 0 BCADHM COc1ccccc1[C@@H](C)NCc1nc(=O)[n-][nH]1 ZINC000271732768 175344561 /nfs/dbraw/zinc/34/45/61/175344561.db2.gz UMKDGQILQIHYTB-MRVPVSSYSA-N -1 3 248.286 0.957 20 0 BCADHM COc1nc(NC(=O)[C@](C)(O)C(C)C)n[n-]1 ZINC000353789382 175388794 /nfs/dbraw/zinc/38/87/94/175388794.db2.gz OURXQBHBRQWJFG-SECBINFHSA-N -1 3 228.252 0.159 20 0 BCADHM COc1nnc(NC(=O)[C@](C)(O)C(C)C)[n-]1 ZINC000353789382 175388796 /nfs/dbraw/zinc/38/87/96/175388796.db2.gz OURXQBHBRQWJFG-SECBINFHSA-N -1 3 228.252 0.159 20 0 BCADHM COc1n[n-]c(NC(=O)[C@](C)(O)C(C)C)n1 ZINC000353789382 175388798 /nfs/dbraw/zinc/38/87/98/175388798.db2.gz OURXQBHBRQWJFG-SECBINFHSA-N -1 3 228.252 0.159 20 0 BCADHM COc1nnc(NC(=O)C(C)(C)OC(C)=O)[n-]1 ZINC000275654253 175393242 /nfs/dbraw/zinc/39/32/42/175393242.db2.gz NOWKWTSFHWWZFF-UHFFFAOYSA-N -1 3 242.235 0.094 20 0 BCADHM COc1nc(NC(=O)C(C)(C)OC(C)=O)n[n-]1 ZINC000275654253 175393244 /nfs/dbraw/zinc/39/32/44/175393244.db2.gz NOWKWTSFHWWZFF-UHFFFAOYSA-N -1 3 242.235 0.094 20 0 BCADHM COc1n[n-]c(NC(=O)C(C)(C)OC(C)=O)n1 ZINC000275654253 175393246 /nfs/dbraw/zinc/39/32/46/175393246.db2.gz NOWKWTSFHWWZFF-UHFFFAOYSA-N -1 3 242.235 0.094 20 0 BCADHM COc1nnc(NC(=O)CSC2CC2)[n-]1 ZINC000295022046 175393790 /nfs/dbraw/zinc/39/37/90/175393790.db2.gz VAAUOLZKUZTRDV-UHFFFAOYSA-N -1 3 228.277 0.647 20 0 BCADHM COc1nc(NC(=O)CSC2CC2)n[n-]1 ZINC000295022046 175393791 /nfs/dbraw/zinc/39/37/91/175393791.db2.gz VAAUOLZKUZTRDV-UHFFFAOYSA-N -1 3 228.277 0.647 20 0 BCADHM COc1n[n-]c(NC(=O)CSC2CC2)n1 ZINC000295022046 175393792 /nfs/dbraw/zinc/39/37/92/175393792.db2.gz VAAUOLZKUZTRDV-UHFFFAOYSA-N -1 3 228.277 0.647 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CC2(F)F)[n-]1 ZINC000295025151 175393923 /nfs/dbraw/zinc/39/39/23/175393923.db2.gz VGHXCTQOWGTZRT-GSVOUGTGSA-N -1 3 218.163 0.407 20 0 BCADHM COc1nc(NC(=O)[C@H]2CC2(F)F)n[n-]1 ZINC000295025151 175393924 /nfs/dbraw/zinc/39/39/24/175393924.db2.gz VGHXCTQOWGTZRT-GSVOUGTGSA-N -1 3 218.163 0.407 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CC2(F)F)n1 ZINC000295025151 175393926 /nfs/dbraw/zinc/39/39/26/175393926.db2.gz VGHXCTQOWGTZRT-GSVOUGTGSA-N -1 3 218.163 0.407 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCO[C@@H]2C)[n-]1 ZINC000129422597 175394052 /nfs/dbraw/zinc/39/40/52/175394052.db2.gz DQNZRKHFXFWWOA-RITPCOANSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCO[C@@H]2C)n[n-]1 ZINC000129422597 175394054 /nfs/dbraw/zinc/39/40/54/175394054.db2.gz DQNZRKHFXFWWOA-RITPCOANSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCO[C@@H]2C)n1 ZINC000129422597 175394056 /nfs/dbraw/zinc/39/40/56/175394056.db2.gz DQNZRKHFXFWWOA-RITPCOANSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCO[C@@H]2C)[n-]1 ZINC000129422185 175394340 /nfs/dbraw/zinc/39/43/40/175394340.db2.gz DQNZRKHFXFWWOA-PHDIDXHHSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCO[C@@H]2C)n[n-]1 ZINC000129422185 175394341 /nfs/dbraw/zinc/39/43/41/175394341.db2.gz DQNZRKHFXFWWOA-PHDIDXHHSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCO[C@@H]2C)n1 ZINC000129422185 175394342 /nfs/dbraw/zinc/39/43/42/175394342.db2.gz DQNZRKHFXFWWOA-PHDIDXHHSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nnc(NC(=O)Cc2cc(C)on2)[n-]1 ZINC000271304217 175394380 /nfs/dbraw/zinc/39/43/80/175394380.db2.gz TYUGSRXTGYKOBS-UHFFFAOYSA-N -1 3 237.219 0.291 20 0 BCADHM COc1nc(NC(=O)Cc2cc(C)on2)n[n-]1 ZINC000271304217 175394381 /nfs/dbraw/zinc/39/43/81/175394381.db2.gz TYUGSRXTGYKOBS-UHFFFAOYSA-N -1 3 237.219 0.291 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2cc(C)on2)n1 ZINC000271304217 175394382 /nfs/dbraw/zinc/39/43/82/175394382.db2.gz TYUGSRXTGYKOBS-UHFFFAOYSA-N -1 3 237.219 0.291 20 0 BCADHM COc1nnc(NC(=O)C2SCCS2)[n-]1 ZINC000272538922 175394523 /nfs/dbraw/zinc/39/45/23/175394523.db2.gz ROIFYBJRPYNOQC-UHFFFAOYSA-N -1 3 246.317 0.558 20 0 BCADHM COc1nc(NC(=O)C2SCCS2)n[n-]1 ZINC000272538922 175394525 /nfs/dbraw/zinc/39/45/25/175394525.db2.gz ROIFYBJRPYNOQC-UHFFFAOYSA-N -1 3 246.317 0.558 20 0 BCADHM COc1n[n-]c(NC(=O)C2SCCS2)n1 ZINC000272538922 175394527 /nfs/dbraw/zinc/39/45/27/175394527.db2.gz ROIFYBJRPYNOQC-UHFFFAOYSA-N -1 3 246.317 0.558 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCCCO2)[n-]1 ZINC000129408282 175395113 /nfs/dbraw/zinc/39/51/13/175395113.db2.gz DCOBZHJVGBVKCG-LURJTMIESA-N -1 3 226.236 0.321 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCCCO2)n[n-]1 ZINC000129408282 175395115 /nfs/dbraw/zinc/39/51/15/175395115.db2.gz DCOBZHJVGBVKCG-LURJTMIESA-N -1 3 226.236 0.321 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCCCO2)n1 ZINC000129408282 175395117 /nfs/dbraw/zinc/39/51/17/175395117.db2.gz DCOBZHJVGBVKCG-LURJTMIESA-N -1 3 226.236 0.321 20 0 BCADHM COc1nnc(NC(=O)c2n[nH]c3c2CCC3)[n-]1 ZINC000271296299 175395334 /nfs/dbraw/zinc/39/53/34/175395334.db2.gz RIOWQFZXWGOIJD-UHFFFAOYSA-N -1 3 248.246 0.277 20 0 BCADHM COc1nc(NC(=O)c2n[nH]c3c2CCC3)n[n-]1 ZINC000271296299 175395337 /nfs/dbraw/zinc/39/53/37/175395337.db2.gz RIOWQFZXWGOIJD-UHFFFAOYSA-N -1 3 248.246 0.277 20 0 BCADHM COc1n[n-]c(NC(=O)c2n[nH]c3c2CCC3)n1 ZINC000271296299 175395338 /nfs/dbraw/zinc/39/53/38/175395338.db2.gz RIOWQFZXWGOIJD-UHFFFAOYSA-N -1 3 248.246 0.277 20 0 BCADHM COc1nnc(NC(=O)c2ncoc2C2CC2)[n-]1 ZINC000294395483 175395521 /nfs/dbraw/zinc/39/55/21/175395521.db2.gz DEJUPBRVBAHCJX-UHFFFAOYSA-N -1 3 249.230 0.931 20 0 BCADHM COc1n[n-]c(NC(=O)c2ncoc2C2CC2)n1 ZINC000294395483 175395523 /nfs/dbraw/zinc/39/55/23/175395523.db2.gz DEJUPBRVBAHCJX-UHFFFAOYSA-N -1 3 249.230 0.931 20 0 BCADHM COc1nc(NC(=O)c2ncoc2C2CC2)n[n-]1 ZINC000294395483 175395524 /nfs/dbraw/zinc/39/55/24/175395524.db2.gz DEJUPBRVBAHCJX-UHFFFAOYSA-N -1 3 249.230 0.931 20 0 BCADHM COc1nnc(NC(=O)c2ocnc2C)[n-]1 ZINC000129423789 175395683 /nfs/dbraw/zinc/39/56/83/175395683.db2.gz BFFONBABDRULDL-UHFFFAOYSA-N -1 3 223.192 0.362 20 0 BCADHM COc1n[n-]c(NC(=O)c2ocnc2C)n1 ZINC000129423789 175395685 /nfs/dbraw/zinc/39/56/85/175395685.db2.gz BFFONBABDRULDL-UHFFFAOYSA-N -1 3 223.192 0.362 20 0 BCADHM COc1nc(NC(=O)c2ocnc2C)n[n-]1 ZINC000129423789 175395689 /nfs/dbraw/zinc/39/56/89/175395689.db2.gz BFFONBABDRULDL-UHFFFAOYSA-N -1 3 223.192 0.362 20 0 BCADHM C[C@@H]1CC(=O)NCCN1C(=O)c1cccc([O-])c1 ZINC000365009698 176049693 /nfs/dbraw/zinc/04/96/93/176049693.db2.gz HXGCOJOAYFYJIU-SECBINFHSA-N -1 3 248.282 0.743 20 0 BCADHM C[C@@H]1CCCCN1CCNC(=O)C(=O)[O-] ZINC000308888753 176071888 /nfs/dbraw/zinc/07/18/88/176071888.db2.gz WSLIUMCDYZTSDH-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM C[C@@H]1CCC[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC000328675972 176132263 /nfs/dbraw/zinc/13/22/63/176132263.db2.gz RGNZCDCJDIEEGB-SFYZADRCSA-N -1 3 210.281 0.387 20 0 BCADHM C[C@@H]1CCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000331854791 176174287 /nfs/dbraw/zinc/17/42/87/176174287.db2.gz PGEYWUKAURIXLC-SECBINFHSA-N -1 3 232.287 0.864 20 0 BCADHM C[C@@H]1CCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000336656597 176182634 /nfs/dbraw/zinc/18/26/34/176182634.db2.gz ICCKWIXAMBKAKR-ZCFIWIBFSA-N -1 3 218.264 0.563 20 0 BCADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)CC(=O)N1C ZINC000282348537 176261893 /nfs/dbraw/zinc/26/18/93/176261893.db2.gz LQAUUEFPOBVQAB-SECBINFHSA-N -1 3 248.282 0.695 20 0 BCADHM C[C@@H]1CN(C(=O)c2csc(=O)[n-]2)CCC1=O ZINC000330017522 176265064 /nfs/dbraw/zinc/26/50/64/176265064.db2.gz RFWLSJYWNVHLGF-ZCFIWIBFSA-N -1 3 240.284 0.900 20 0 BCADHM C[C@@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)C[C@H]1C ZINC000354561020 176320609 /nfs/dbraw/zinc/32/06/09/176320609.db2.gz FMJLRIBJPUHTNA-RNFRBKRXSA-N -1 3 232.291 0.809 20 0 BCADHM C[C@@H]1COCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000328639155 176344892 /nfs/dbraw/zinc/34/48/92/176344892.db2.gz DORMAJVVPXWOJO-RNFRBKRXSA-N -1 3 212.253 0.025 20 0 BCADHM C[C@H](Oc1cccnc1)C(=O)[N-]c1nncn1C ZINC000156936819 177025288 /nfs/dbraw/zinc/02/52/88/177025288.db2.gz YJSVDZXSBCLOGI-QMMMGPOBSA-N -1 3 247.258 0.616 20 0 BCADHM C[C@H]1CCC(C)(C)N1Cc1nc(=O)n(C)[n-]1 ZINC000334691687 177069552 /nfs/dbraw/zinc/06/95/52/177069552.db2.gz COOXWYAKFLPUQN-QMMMGPOBSA-N -1 3 224.308 0.871 20 0 BCADHM C[C@H]1CCCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000336318767 177071066 /nfs/dbraw/zinc/07/10/66/177071066.db2.gz CATHLNOYCIFIKJ-VIFPVBQESA-N -1 3 224.308 0.730 20 0 BCADHM C[C@H]1CCN(C)CCN1C(=O)c1cncc([O-])c1 ZINC000339951406 177157489 /nfs/dbraw/zinc/15/74/89/177157489.db2.gz BTPWIAQMZKQHCP-JTQLQIEISA-N -1 3 249.314 0.953 20 0 BCADHM C[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]1C ZINC000336447103 177166171 /nfs/dbraw/zinc/16/61/71/177166171.db2.gz OXHVOUVSWLZBGQ-YUMQZZPRSA-N -1 3 210.281 0.339 20 0 BCADHM C[C@H]1CN(C(=O)c2ccccc2[O-])CCN1 ZINC000083814275 177228037 /nfs/dbraw/zinc/22/80/37/177228037.db2.gz SHOCZVIUZXUWPS-VIFPVBQESA-N -1 3 220.272 0.826 20 0 BCADHM C[C@H]1CN(Cc2n[n-]c(=O)s2)CCCO1 ZINC000367446390 177272536 /nfs/dbraw/zinc/27/25/36/177272536.db2.gz DRGUHIMTHRGKMA-ZETCQYMHSA-N -1 3 229.305 0.855 20 0 BCADHM C[C@H]1CSCCN1Cc1nc(=O)[n-][nH]1 ZINC000271648247 177305192 /nfs/dbraw/zinc/30/51/92/177305192.db2.gz UILXWCDFKVFEBR-LURJTMIESA-N -1 3 214.294 0.035 20 0 BCADHM C[C@@H]1C[C@H](C)[C@H](C(=O)[N-]c2nncn2C)O1 ZINC000283503462 177322876 /nfs/dbraw/zinc/32/28/76/177322876.db2.gz LVALQKQVTPYFAI-XLPZGREQSA-N -1 3 224.264 0.567 20 0 BCADHM C[C@H]1OCCN[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000262372737 177399882 /nfs/dbraw/zinc/39/98/82/177399882.db2.gz WIXJXLBPYIOXMD-KCJUWKMLSA-N -1 3 236.271 0.708 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@](C)(O)C1CCC1 ZINC000487151674 225289375 /nfs/dbraw/zinc/28/93/75/225289375.db2.gz DJBSDXDNIZTQTE-SNVBAGLBSA-N -1 3 224.264 0.305 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@@H]1CO ZINC000492443661 226000567 /nfs/dbraw/zinc/00/05/67/226000567.db2.gz PXIFSZPAXYICPF-DLRQAJBASA-N -1 3 248.282 0.784 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCC(=O)CC1 ZINC000492477484 226004871 /nfs/dbraw/zinc/00/48/71/226004871.db2.gz VIACKSJPKXWNNW-UPHRSURJSA-N -1 3 246.266 0.992 20 0 BCADHM O=C(/C=C\c1ccccc1)[N-]OCCO ZINC000492648768 226032831 /nfs/dbraw/zinc/03/28/31/226032831.db2.gz LOSADPOYBNOBEW-SREVYHEPSA-N -1 3 207.229 0.740 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]O[C@@H]1CCOC1 ZINC000492869661 226071881 /nfs/dbraw/zinc/07/18/81/226071881.db2.gz VBVOKKGKRYUXIW-GPYPMJJRSA-N -1 3 223.232 0.260 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]O[C@H]1CCOC1 ZINC000492869676 226072401 /nfs/dbraw/zinc/07/24/01/226072401.db2.gz VBVOKKGKRYUXIW-VWCDRPFISA-N -1 3 223.232 0.260 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NC1(CCO)CC1 ZINC000492888942 226075389 /nfs/dbraw/zinc/07/53/89/226075389.db2.gz HVIDGKNDNZHMCN-OWOJBTEDSA-N -1 3 248.282 0.832 20 0 BCADHM Cn1ccc(/C=C\C(=O)[N-]OCCO)c1 ZINC000493273516 226172544 /nfs/dbraw/zinc/17/25/44/226172544.db2.gz QJORKKCVQNPXPZ-IHWYPQMZSA-N -1 3 210.233 0.078 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N[C@@H]1CCC[C@H]1O ZINC000493355112 226193828 /nfs/dbraw/zinc/19/38/28/226193828.db2.gz RCBHZRVEIHAZNG-XLMCQVRKSA-N -1 3 248.282 0.830 20 0 BCADHM CO[N-]C(=O)[C@H](C)CNC(=O)OC(C)(C)C ZINC000495611498 226283750 /nfs/dbraw/zinc/28/37/50/226283750.db2.gz LVLSVIBKUWNFCD-SSDOTTSWSA-N -1 3 232.280 0.825 20 0 BCADHM O=C(/C=C\c1cncs1)[N-]O[C@H]1CCOC1 ZINC000493756811 226252840 /nfs/dbraw/zinc/25/28/40/226252840.db2.gz PTQMYEJQMYUWCB-JQSQLHRZSA-N -1 3 240.284 0.993 20 0 BCADHM O=C(/C=C\c1cncs1)[N-]OCCO ZINC000493845626 226257069 /nfs/dbraw/zinc/25/70/69/226257069.db2.gz DACGXMTUCMAXAW-UPHRSURJSA-N -1 3 214.246 0.196 20 0 BCADHM CC(C)CN1CCOC[C@@H]1CC(=O)[O-] ZINC000087507383 487665331 /nfs/dbraw/zinc/66/53/31/487665331.db2.gz PINSVYUAXIUBNF-VIFPVBQESA-N -1 3 201.266 0.818 20 0 BCADHM O=S(=O)(Nc1c([O-])cccc1F)N1CCC1 ZINC000671660142 487677138 /nfs/dbraw/zinc/67/71/38/487677138.db2.gz MRTMMJKKGFWNLC-UHFFFAOYSA-N -1 3 246.263 0.894 20 0 BCADHM COC(=O)NCCNC(=O)c1cccc([O-])c1 ZINC000169920605 262925835 /nfs/dbraw/zinc/92/58/35/262925835.db2.gz ZIVJAFRPJVDEPI-UHFFFAOYSA-N -1 3 238.243 0.478 20 0 BCADHM O=S(=O)([N-]CC1CC(O)C1)c1ccco1 ZINC000528562771 262959364 /nfs/dbraw/zinc/95/93/64/262959364.db2.gz UJMVRBKJLAKHOG-UHFFFAOYSA-N -1 3 231.273 0.329 20 0 BCADHM CCC[C@@H](OCC)C(=O)Nc1n[n-]c(OC)n1 ZINC000528950052 262981399 /nfs/dbraw/zinc/98/13/99/262981399.db2.gz WUZDVISQWUPZOY-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCC[C@@H](OCC)C(=O)Nc1nnc(OC)[n-]1 ZINC000528950052 262981400 /nfs/dbraw/zinc/98/14/00/262981400.db2.gz WUZDVISQWUPZOY-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CCC[C@@H](OCC)C(=O)Nc1nc(OC)n[n-]1 ZINC000528950052 262981401 /nfs/dbraw/zinc/98/14/01/262981401.db2.gz WUZDVISQWUPZOY-SSDOTTSWSA-N -1 3 242.279 0.957 20 0 BCADHM CC(C)N(C)CC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000653317743 487714811 /nfs/dbraw/zinc/71/48/11/487714811.db2.gz GQVFNSKXUQKLIP-UWVGGRQHSA-N -1 3 242.319 0.791 20 0 BCADHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1c[n-]nn1 ZINC000675354119 487717495 /nfs/dbraw/zinc/71/74/95/487717495.db2.gz XIAWYWOMABSKDB-SFYZADRCSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cnn[n-]1 ZINC000675354119 487717499 /nfs/dbraw/zinc/71/74/99/487717499.db2.gz XIAWYWOMABSKDB-SFYZADRCSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cn[n-]n1 ZINC000675354119 487717505 /nfs/dbraw/zinc/71/75/05/487717505.db2.gz XIAWYWOMABSKDB-SFYZADRCSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H](O)Cn1[n-]c(=O)c2ccccc2c1=O ZINC000088282590 487717326 /nfs/dbraw/zinc/71/73/26/487717326.db2.gz MRWAHNURXUYZFA-SSDOTTSWSA-N -1 3 220.228 0.483 20 0 BCADHM CC[C@@H](C)CCC(=O)[N-]c1nnnn1C ZINC000904193801 584849843 /nfs/dbraw/zinc/84/98/43/584849843.db2.gz OOYQRSCBCAGFLM-SSDOTTSWSA-N -1 3 211.269 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)CCC(C)(C)C ZINC000904200003 584851319 /nfs/dbraw/zinc/85/13/19/584851319.db2.gz VGQPZRWXIQEHIX-UHFFFAOYSA-N -1 3 211.269 0.975 20 0 BCADHM CN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000250342799 487729202 /nfs/dbraw/zinc/72/92/02/487729202.db2.gz DKUNTKOTFKQNBQ-OPRDCNLKSA-N -1 3 240.303 0.260 20 0 BCADHM Cc1ccc([O-])c(CNC[C@@H]2CCC(=O)N2)n1 ZINC000080122077 487728905 /nfs/dbraw/zinc/72/89/05/487728905.db2.gz YUJVPJPAJVMSPL-VIFPVBQESA-N -1 3 235.287 0.464 20 0 BCADHM CCS(=O)(=O)[N-]c1ccc(OC)cn1 ZINC000681363700 487784615 /nfs/dbraw/zinc/78/46/15/487784615.db2.gz WKYZBHMHYZVILH-UHFFFAOYSA-N -1 3 216.262 0.852 20 0 BCADHM CO[C@H](C)C(=O)[N-]OC1CCN(C)CC1 ZINC000773551483 585640342 /nfs/dbraw/zinc/64/03/42/585640342.db2.gz SEOCURIPUKTATH-MRVPVSSYSA-N -1 3 216.281 0.163 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCN(C)C2=O)n1 ZINC000681538230 487810632 /nfs/dbraw/zinc/81/06/32/487810632.db2.gz YVNYBZBVGOPICZ-QMMMGPOBSA-N -1 3 249.270 0.512 20 0 BCADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ncnn1C ZINC000808466310 586474688 /nfs/dbraw/zinc/47/46/88/586474688.db2.gz IDSJRLFIAUXHGE-RXMQYKEDSA-N -1 3 218.207 0.648 20 0 BCADHM Cn1nncc1C[N-]C(=O)C(C)(F)F ZINC000808483327 586476107 /nfs/dbraw/zinc/47/61/07/586476107.db2.gz QNBDJUUQGQFULU-UHFFFAOYSA-N -1 3 204.180 0.087 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1CC[C@@H]1C(=O)OC ZINC000824041698 587250896 /nfs/dbraw/zinc/25/08/96/587250896.db2.gz PUCRCZZGUUBPGB-SFYZADRCSA-N -1 3 215.249 0.643 20 0 BCADHM CCOC(=O)[C@H](CO)[N-]C(=O)C(F)(F)CC ZINC000831519494 587615823 /nfs/dbraw/zinc/61/58/23/587615823.db2.gz NLWVTENFPWLJOO-LURJTMIESA-N -1 3 239.218 0.072 20 0 BCADHM CCNC(=O)CCN(C)CCN(C)C(=O)[O-] ZINC000833859576 587737045 /nfs/dbraw/zinc/73/70/45/587737045.db2.gz FJFSUJJOXIOXMJ-UHFFFAOYSA-N -1 3 231.296 0.054 20 0 BCADHM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000313070367 322947089 /nfs/dbraw/zinc/94/70/89/322947089.db2.gz VDCYMTFRRXPJCU-ZETCQYMHSA-N -1 3 245.304 0.113 20 0 BCADHM O=C([O-])c1cnccc1N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252884278 487836866 /nfs/dbraw/zinc/83/68/66/487836866.db2.gz WGNXIDFTOYOKNN-PEXQALLHSA-N -1 3 248.282 0.987 20 0 BCADHM CCCO[N-]C(=O)Cc1cn(C)nc1C ZINC000844089993 588166449 /nfs/dbraw/zinc/16/64/49/588166449.db2.gz CUVJSGIHKGTUOP-UHFFFAOYSA-N -1 3 211.265 0.729 20 0 BCADHM O=c1[n-]c(CN2CC[C@H]3CCC[C@H]32)n[nH]1 ZINC000681709938 487846718 /nfs/dbraw/zinc/84/67/18/487846718.db2.gz MXGDNLJVYGXECH-HTQZYQBOSA-N -1 3 208.265 0.885 20 0 BCADHM FCCOCCN=c1ncnc2[nH][n-]cc1-2 ZINC000663233793 487878166 /nfs/dbraw/zinc/87/81/66/487878166.db2.gz JCRQHJGBJCLBAF-UHFFFAOYSA-N -1 3 225.227 0.124 20 0 BCADHM C[C@H](O)CN(C)C(=O)c1cccc2[n-]nnc21 ZINC000682162451 487920625 /nfs/dbraw/zinc/92/06/25/487920625.db2.gz ROZWERXBXQFTDV-ZETCQYMHSA-N -1 3 234.259 0.411 20 0 BCADHM C[C@H](O)CN(C)C(=O)c1cccc2nn[n-]c21 ZINC000682162451 487920627 /nfs/dbraw/zinc/92/06/27/487920627.db2.gz ROZWERXBXQFTDV-ZETCQYMHSA-N -1 3 234.259 0.411 20 0 BCADHM C[C@H](O)CN(C)C(=O)c1cccc2n[n-]nc21 ZINC000682162451 487920630 /nfs/dbraw/zinc/92/06/30/487920630.db2.gz ROZWERXBXQFTDV-ZETCQYMHSA-N -1 3 234.259 0.411 20 0 BCADHM C[C@@H](CNC(=O)[C@@H]1NCCCC1(C)C)C(=O)[O-] ZINC000235144296 487925349 /nfs/dbraw/zinc/92/53/49/487925349.db2.gz DODURALFNIPNHF-IUCAKERBSA-N -1 3 242.319 0.602 20 0 BCADHM O=C([O-])[C@H]1COCCN1CC1CCCC1 ZINC000083876129 487955976 /nfs/dbraw/zinc/95/59/76/487955976.db2.gz SLRQGVWPGKTHGW-SNVBAGLBSA-N -1 3 213.277 0.962 20 0 BCADHM COCc1ccc(C(=O)[N-]c2nc[nH]n2)o1 ZINC000128175047 323006364 /nfs/dbraw/zinc/00/63/64/323006364.db2.gz IYVRHSUUXGIPKK-UHFFFAOYSA-N -1 3 222.204 0.796 20 0 BCADHM CCC[C@H](C)[C@@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000569699910 323037562 /nfs/dbraw/zinc/03/75/62/323037562.db2.gz SUWHZGRZKFAFPB-WCBMZHEXSA-N -1 3 249.318 0.935 20 0 BCADHM Cn1cnc(NC(=O)c2cccc([O-])c2)n1 ZINC000570234903 323053685 /nfs/dbraw/zinc/05/36/85/323053685.db2.gz YMHSKTXTXMLASA-UHFFFAOYSA-N -1 3 218.216 0.773 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CC(F)C1 ZINC000570292376 323055577 /nfs/dbraw/zinc/05/55/77/323055577.db2.gz OBHBXDAENOMSQF-UHFFFAOYSA-N -1 3 210.208 0.510 20 0 BCADHM CN(Cc1ncccc1[O-])[C@@]1(CO)CCOC1 ZINC000570461160 323060465 /nfs/dbraw/zinc/06/04/65/323060465.db2.gz MXMLDCDQPFHGQI-GFCCVEGCSA-N -1 3 238.287 0.370 20 0 BCADHM Cc1ccc(/C=C/C(=O)[N-]OCC(N)=O)cc1 ZINC000160635301 323074034 /nfs/dbraw/zinc/07/40/34/323074034.db2.gz VASDCAXDAYYMRF-VOTSOKGWSA-N -1 3 234.255 0.541 20 0 BCADHM C[C@@H](CN(C)C)[N-]S(=O)(=O)c1cscn1 ZINC000563055718 323083260 /nfs/dbraw/zinc/08/32/60/323083260.db2.gz UQYKFQXWXZOQIQ-ZETCQYMHSA-N -1 3 249.361 0.372 20 0 BCADHM O=C([O-])c1cnccc1NC[C@@H](CO)C1CC1 ZINC000563205145 323101797 /nfs/dbraw/zinc/10/17/97/323101797.db2.gz KQYUKXBBOYTQIE-VIFPVBQESA-N -1 3 236.271 0.632 20 0 BCADHM COCCSCc1n[n-]c(=O)s1 ZINC000307994785 323127820 /nfs/dbraw/zinc/12/78/20/323127820.db2.gz VREWSVWJGCVCGP-UHFFFAOYSA-N -1 3 206.292 0.711 20 0 BCADHM O=C(NCCc1ccccc1F)c1c[n-]nn1 ZINC000048889679 323155873 /nfs/dbraw/zinc/15/58/73/323155873.db2.gz VZLRKZXYHBWFLA-UHFFFAOYSA-N -1 3 234.234 0.916 20 0 BCADHM O=C(NCCc1ccccc1F)c1cnn[n-]1 ZINC000048889679 323155874 /nfs/dbraw/zinc/15/58/74/323155874.db2.gz VZLRKZXYHBWFLA-UHFFFAOYSA-N -1 3 234.234 0.916 20 0 BCADHM O=C(NCCc1ccccc1F)c1cn[n-]n1 ZINC000048889679 323155875 /nfs/dbraw/zinc/15/58/75/323155875.db2.gz VZLRKZXYHBWFLA-UHFFFAOYSA-N -1 3 234.234 0.916 20 0 BCADHM NC(=O)Nc1cccc(NC(=O)c2cnn[n-]2)c1 ZINC000048890298 323155916 /nfs/dbraw/zinc/15/59/16/323155916.db2.gz OTPDXUQIIHNRAO-UHFFFAOYSA-N -1 3 246.230 0.548 20 0 BCADHM NC(=O)Nc1cccc(NC(=O)c2c[n-]nn2)c1 ZINC000048890298 323155917 /nfs/dbraw/zinc/15/59/17/323155917.db2.gz OTPDXUQIIHNRAO-UHFFFAOYSA-N -1 3 246.230 0.548 20 0 BCADHM NC(=O)Nc1cccc(NC(=O)c2cn[n-]n2)c1 ZINC000048890298 323155918 /nfs/dbraw/zinc/15/59/18/323155918.db2.gz OTPDXUQIIHNRAO-UHFFFAOYSA-N -1 3 246.230 0.548 20 0 BCADHM OCc1nnc(Sc2ncnc3n[nH]cc32)[n-]1 ZINC000527315587 323185656 /nfs/dbraw/zinc/18/56/56/323185656.db2.gz FJZBAASRZOEHQK-UHFFFAOYSA-N -1 3 249.259 0.115 20 0 BCADHM OCc1nc(Sc2ncnc3n[nH]cc32)n[n-]1 ZINC000527315587 323185657 /nfs/dbraw/zinc/18/56/57/323185657.db2.gz FJZBAASRZOEHQK-UHFFFAOYSA-N -1 3 249.259 0.115 20 0 BCADHM C[C@@H](O)CCN(C)C(=O)c1cccc2[n-]nnc21 ZINC000527357080 323197610 /nfs/dbraw/zinc/19/76/10/323197610.db2.gz GROPGAUQUMMZAL-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM C[C@@H](O)CCN(C)C(=O)c1cccc2nn[n-]c21 ZINC000527357080 323197611 /nfs/dbraw/zinc/19/76/11/323197611.db2.gz GROPGAUQUMMZAL-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM C[C@@H](O)CCN(C)C(=O)c1cccc2n[n-]nc21 ZINC000527357080 323197612 /nfs/dbraw/zinc/19/76/12/323197612.db2.gz GROPGAUQUMMZAL-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM O=C(N[C@H]1CCO[C@@H]1C1CC1)c1c[n-]nn1 ZINC000230320843 323204621 /nfs/dbraw/zinc/20/46/21/323204621.db2.gz CATXGFONFWKWIY-IONNQARKSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@H]1CCO[C@@H]1C1CC1)c1cnn[n-]1 ZINC000230320843 323204622 /nfs/dbraw/zinc/20/46/22/323204622.db2.gz CATXGFONFWKWIY-IONNQARKSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@H]1CCO[C@@H]1C1CC1)c1cn[n-]n1 ZINC000230320843 323204623 /nfs/dbraw/zinc/20/46/23/323204623.db2.gz CATXGFONFWKWIY-IONNQARKSA-N -1 3 222.248 0.102 20 0 BCADHM O=C([N-]c1nncs1)c1ccc2nnnn2c1 ZINC000532322198 323246129 /nfs/dbraw/zinc/24/61/29/323246129.db2.gz OLQACHMJYAMCBJ-UHFFFAOYSA-N -1 3 247.243 0.228 20 0 BCADHM O=C(NCC(F)(F)CO)c1c([O-])cccc1O ZINC000232038489 324208361 /nfs/dbraw/zinc/20/83/61/324208361.db2.gz HCSSBELRPNWSBW-UHFFFAOYSA-N -1 3 247.197 0.455 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@@H]1CCCC12CC2 ZINC000528961174 324224878 /nfs/dbraw/zinc/22/48/78/324224878.db2.gz MPMAVKLWIPCLRH-ZETCQYMHSA-N -1 3 212.249 0.100 20 0 BCADHM CCC[C@H](OCC)C(=O)[N-]c1nncn1C ZINC000529039780 324236318 /nfs/dbraw/zinc/23/63/18/324236318.db2.gz PHCSOESJYSSWKG-QMMMGPOBSA-N -1 3 226.280 0.959 20 0 BCADHM C[C@@]1(Br)C[C@H]1C(=O)[N-]OCCO ZINC000529062655 324240967 /nfs/dbraw/zinc/24/09/67/324240967.db2.gz HYYRUCNCMARFCP-CAHLUQPWSA-N -1 3 238.081 0.200 20 0 BCADHM Cn1[n-]c(CN2C3CCC2CC3)nc1=O ZINC000543449387 325089464 /nfs/dbraw/zinc/08/94/64/325089464.db2.gz JDVFEDNJUGQSQR-UHFFFAOYSA-N -1 3 208.265 0.235 20 0 BCADHM C[C@@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)CCCO1 ZINC000544846705 325163608 /nfs/dbraw/zinc/16/36/08/325163608.db2.gz XQWARRRRJAVJAK-SSDOTTSWSA-N -1 3 248.290 0.332 20 0 BCADHM C[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000133800760 325320299 /nfs/dbraw/zinc/32/02/99/325320299.db2.gz JUXFWOVLOSJQLM-UHFFFAOYSA-N -1 3 203.267 0.372 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@H]1CCNC(=O)C1 ZINC000136094634 325441158 /nfs/dbraw/zinc/44/11/58/325441158.db2.gz LJANYJZDUOIPKA-QMMMGPOBSA-N -1 3 234.255 0.857 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCC1CC1 ZINC000553255657 325683756 /nfs/dbraw/zinc/68/37/56/325683756.db2.gz OGSHHQJINFYCSB-UHFFFAOYSA-N -1 3 206.245 0.856 20 0 BCADHM CN(C)C1CN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000158380699 326316573 /nfs/dbraw/zinc/31/65/73/326316573.db2.gz ANJWPJQHSSDSLY-UHFFFAOYSA-N -1 3 238.262 0.917 20 0 BCADHM C[C@H](C(=O)[O-])C(=O)NCCN1CCCC[C@H]1C ZINC000568882165 326381201 /nfs/dbraw/zinc/38/12/01/326381201.db2.gz ROZVPWAWRLCMQT-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM C[C@H](CCCO)NC(=O)Cc1cncc([O-])c1 ZINC000655393378 488004114 /nfs/dbraw/zinc/00/41/14/488004114.db2.gz NJHNNOXJNQFANX-SECBINFHSA-N -1 3 238.287 0.607 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]Cc1cocn1 ZINC000669626938 488004648 /nfs/dbraw/zinc/00/46/48/488004648.db2.gz PSQFGLBMNYCIIQ-SSDOTTSWSA-N -1 3 234.277 0.129 20 0 BCADHM CCN1CC[C@@H](NC(=O)c2ccccc2[O-])C1=O ZINC000670037485 488015575 /nfs/dbraw/zinc/01/55/75/488015575.db2.gz NHTBGDOYAVRMMT-SNVBAGLBSA-N -1 3 248.282 0.743 20 0 BCADHM CCN1CC[C@H](NC(=O)c2ccccc2[O-])C1=O ZINC000670037482 488015463 /nfs/dbraw/zinc/01/54/63/488015463.db2.gz NHTBGDOYAVRMMT-JTQLQIEISA-N -1 3 248.282 0.743 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](N)C(C)C ZINC000044625163 488029761 /nfs/dbraw/zinc/02/97/61/488029761.db2.gz ZCZYBFMYZGIEFW-JGVFFNPUSA-N -1 3 216.281 0.291 20 0 BCADHM CCNS(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000672429961 488133609 /nfs/dbraw/zinc/13/36/09/488133609.db2.gz XNQOWEQMVFEWOW-ZCFIWIBFSA-N -1 3 228.264 0.618 20 0 BCADHM Cc1ccc([O-])c(CN2CCNC(=O)C[C@H]2C)n1 ZINC000685469651 487533117 /nfs/dbraw/zinc/53/31/17/487533117.db2.gz PRKBZRFIVPVJQG-SNVBAGLBSA-N -1 3 249.314 0.806 20 0 BCADHM NC(=O)C1(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000679920706 487488473 /nfs/dbraw/zinc/48/84/73/487488473.db2.gz ZKOQWOJSPTUPIM-UHFFFAOYSA-N -1 3 238.218 0.735 20 0 BCADHM COc1nnccc1[N-]C(=O)c1cocn1 ZINC000685285868 487511193 /nfs/dbraw/zinc/51/11/93/487511193.db2.gz VISGDGGWZDEFPW-UHFFFAOYSA-N -1 3 220.188 0.726 20 0 BCADHM Nc1ccc2c(c1)CC[C@H]2NC(=O)c1c[n-]nn1 ZINC000094092025 487514295 /nfs/dbraw/zinc/51/42/95/487514295.db2.gz ZWQSHNZLBLNKSE-SNVBAGLBSA-N -1 3 243.270 0.804 20 0 BCADHM Nc1ccc2c(c1)CC[C@H]2NC(=O)c1cnn[n-]1 ZINC000094092025 487514301 /nfs/dbraw/zinc/51/43/01/487514301.db2.gz ZWQSHNZLBLNKSE-SNVBAGLBSA-N -1 3 243.270 0.804 20 0 BCADHM Nc1ccc2c(c1)CC[C@H]2NC(=O)c1cn[n-]n1 ZINC000094092025 487514308 /nfs/dbraw/zinc/51/43/08/487514308.db2.gz ZWQSHNZLBLNKSE-SNVBAGLBSA-N -1 3 243.270 0.804 20 0 BCADHM NC(=O)c1csc([N-]C(=O)c2cnco2)n1 ZINC000677554008 488070866 /nfs/dbraw/zinc/07/08/66/488070866.db2.gz HEZAIWLIZJMUOG-UHFFFAOYSA-N -1 3 238.228 0.482 20 0 BCADHM O=C([O-])[C@@H]1COCCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662208062 488153231 /nfs/dbraw/zinc/15/32/31/488153231.db2.gz NUIDLAMFYFUUCD-VLEAKVRGSA-N -1 3 225.288 0.818 20 0 BCADHM Cc1noc([C@@H](C)Sc2n[n-]c(CO)n2)n1 ZINC000683454770 488165291 /nfs/dbraw/zinc/16/52/91/488165291.db2.gz URYNIJVUWBUJDH-SCSAIBSYSA-N -1 3 241.276 0.842 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1cocn1 ZINC000671870113 488232426 /nfs/dbraw/zinc/23/24/26/488232426.db2.gz FLAFSPUJVCZQAM-UHFFFAOYSA-N -1 3 207.193 0.538 20 0 BCADHM Cc1ccncc1[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000678419901 488254103 /nfs/dbraw/zinc/25/41/03/488254103.db2.gz ZWMYVYJZMUNTIZ-MRVPVSSYSA-N -1 3 231.259 0.999 20 0 BCADHM Cc1ccncc1[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000678419901 488254105 /nfs/dbraw/zinc/25/41/05/488254105.db2.gz ZWMYVYJZMUNTIZ-MRVPVSSYSA-N -1 3 231.259 0.999 20 0 BCADHM Cc1ccncc1[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000678419901 488254108 /nfs/dbraw/zinc/25/41/08/488254108.db2.gz ZWMYVYJZMUNTIZ-MRVPVSSYSA-N -1 3 231.259 0.999 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1CC=CC1 ZINC000673543769 488295523 /nfs/dbraw/zinc/29/55/23/488295523.db2.gz ARWNKBBSUMQOCT-UHFFFAOYSA-N -1 3 235.287 0.725 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1cccnc1 ZINC000673545628 488295569 /nfs/dbraw/zinc/29/55/69/488295569.db2.gz DQEUEXDGFJFRQG-UHFFFAOYSA-N -1 3 246.270 0.468 20 0 BCADHM CCOc1cccc(NC(=O)c2cnn[n-]2)n1 ZINC000673746684 488306467 /nfs/dbraw/zinc/30/64/67/488306467.db2.gz BRFLGTMVXSNHNX-UHFFFAOYSA-N -1 3 233.231 0.851 20 0 BCADHM CCOc1cccc(NC(=O)c2c[n-]nn2)n1 ZINC000673746684 488306468 /nfs/dbraw/zinc/30/64/68/488306468.db2.gz BRFLGTMVXSNHNX-UHFFFAOYSA-N -1 3 233.231 0.851 20 0 BCADHM CCOc1cccc(NC(=O)c2cn[n-]n2)n1 ZINC000673746684 488306469 /nfs/dbraw/zinc/30/64/69/488306469.db2.gz BRFLGTMVXSNHNX-UHFFFAOYSA-N -1 3 233.231 0.851 20 0 BCADHM CC[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000673818895 488308701 /nfs/dbraw/zinc/30/87/01/488308701.db2.gz SEFVFIBRWRLZGQ-UHFFFAOYSA-N -1 3 217.294 0.831 20 0 BCADHM COc1nc(NC(=O)CCC(F)F)n[n-]1 ZINC000684471883 488318413 /nfs/dbraw/zinc/31/84/13/488318413.db2.gz YMCJBZYZQWIHRB-UHFFFAOYSA-N -1 3 220.179 0.797 20 0 BCADHM COc1nnc(NC(=O)CCC(F)F)[n-]1 ZINC000684471883 488318414 /nfs/dbraw/zinc/31/84/14/488318414.db2.gz YMCJBZYZQWIHRB-UHFFFAOYSA-N -1 3 220.179 0.797 20 0 BCADHM COc1n[n-]c(NC(=O)CCC(F)F)n1 ZINC000684471883 488318417 /nfs/dbraw/zinc/31/84/17/488318417.db2.gz YMCJBZYZQWIHRB-UHFFFAOYSA-N -1 3 220.179 0.797 20 0 BCADHM Cc1cc[nH]c1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000684766787 488341185 /nfs/dbraw/zinc/34/11/85/488341185.db2.gz FUESZSYRLAYADU-SECBINFHSA-N -1 3 248.286 0.565 20 0 BCADHM O[C@@H]1CCC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000379452312 490184868 /nfs/dbraw/zinc/18/48/68/490184868.db2.gz LFNPZSGFXVFZFH-HTQZYQBOSA-N -1 3 219.248 0.052 20 0 BCADHM O=S(=O)([N-]Cc1ncc[nH]1)c1cccs1 ZINC000070820025 490238954 /nfs/dbraw/zinc/23/89/54/490238954.db2.gz KWRSUAONXAGBGY-UHFFFAOYSA-N -1 3 243.313 0.950 20 0 BCADHM C[C@](O)(CO)CNCc1cccc([O-])c1Cl ZINC000393407139 490682797 /nfs/dbraw/zinc/68/27/97/490682797.db2.gz ZSJSLHXVQGOCIA-LLVKDONJSA-N -1 3 245.706 0.879 20 0 BCADHM Cc1cccc(C(=O)NCCn2ccnn2)c1[O-] ZINC000136336688 491056001 /nfs/dbraw/zinc/05/60/01/491056001.db2.gz XXGRLMOZGJNEFN-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM CCN(C(=O)c1cccc([O-])c1)[C@H]1CCNC1=O ZINC000282348749 491111584 /nfs/dbraw/zinc/11/15/84/491111584.db2.gz YBCQFODWWKWQGV-NSHDSACASA-N -1 3 248.282 0.743 20 0 BCADHM O=C(NCC1(CO)CC1)c1cccc([O-])c1 ZINC000082282506 491141994 /nfs/dbraw/zinc/14/19/94/491141994.db2.gz WNFRKSCAAXIQJC-UHFFFAOYSA-N -1 3 221.256 0.895 20 0 BCADHM CCn1nnnc1[N-]C(=O)C[C@@H](C)COC ZINC000891340924 582667711 /nfs/dbraw/zinc/66/77/11/582667711.db2.gz VDBRSSBVOHHFRV-SSDOTTSWSA-N -1 3 227.268 0.304 20 0 BCADHM COC(=O)NCCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000497019303 534063235 /nfs/dbraw/zinc/06/32/35/534063235.db2.gz RNAAZHVOGXZKIE-ZCFIWIBFSA-N -1 3 245.304 0.340 20 0 BCADHM C[C@@H]1CC[C@](CO)(N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000495200864 534264149 /nfs/dbraw/zinc/26/41/49/534264149.db2.gz ILUCKFILRPNKOS-KCJUWKMLSA-N -1 3 240.307 0.493 20 0 BCADHM CC(C)(C)C(=O)C[N-]S(=O)(=O)CC1CC1 ZINC000084889286 534427492 /nfs/dbraw/zinc/42/74/92/534427492.db2.gz GUSNSOBPQKDFCS-UHFFFAOYSA-N -1 3 233.333 0.931 20 0 BCADHM Cc1cncc(/C=C/C(=O)[N-]OCCCO)c1 ZINC000493547761 534673392 /nfs/dbraw/zinc/67/33/92/534673392.db2.gz FOHKNNRMMDCNET-ONEGZZNKSA-N -1 3 236.271 0.833 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]OC1CCOCC1 ZINC000492891991 534803304 /nfs/dbraw/zinc/80/33/04/534803304.db2.gz DNVPEMHNVYANBL-UPHRSURJSA-N -1 3 237.259 0.650 20 0 BCADHM Cn1nccc1/C=C/C(=O)[N-]O[C@@H]1CCOC1 ZINC000492537041 534843542 /nfs/dbraw/zinc/84/35/42/534843542.db2.gz NSFQVFFPJRKIJW-VMZHVLLKSA-N -1 3 237.259 0.270 20 0 BCADHM CC(=O)CSCCCOC([O-])=NC(N)=O ZINC000494001669 526446063 /nfs/dbraw/zinc/44/60/63/526446063.db2.gz FWCMETFVLBBSEI-UHFFFAOYSA-N -1 3 234.277 0.504 20 0 BCADHM CC(=O)CSCCCOC(=O)N=C(N)[O-] ZINC000494001669 526446067 /nfs/dbraw/zinc/44/60/67/526446067.db2.gz FWCMETFVLBBSEI-UHFFFAOYSA-N -1 3 234.277 0.504 20 0 BCADHM CC(=O)CSCCCOC(=O)[N-]C(N)=O ZINC000494001669 526446073 /nfs/dbraw/zinc/44/60/73/526446073.db2.gz FWCMETFVLBBSEI-UHFFFAOYSA-N -1 3 234.277 0.504 20 0 BCADHM CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC000494052652 526817307 /nfs/dbraw/zinc/81/73/07/526817307.db2.gz NEFWHXWFRBJPKE-ZETCQYMHSA-N -1 3 232.280 0.967 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)c1ccccn1 ZINC000493528441 528294354 /nfs/dbraw/zinc/29/43/54/528294354.db2.gz PEGOBCVJELNIGK-UHFFFAOYSA-N -1 3 228.273 0.339 20 0 BCADHM CCOCCO[N-]C(=O)/C=C/c1cnccn1 ZINC000492650824 528815541 /nfs/dbraw/zinc/81/55/41/528815541.db2.gz RDFYDGOFCZBONL-ONEGZZNKSA-N -1 3 237.259 0.574 20 0 BCADHM CCN(CC)CC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000261536340 535487723 /nfs/dbraw/zinc/48/77/23/535487723.db2.gz RHNNHATXHKCHOJ-QMMMGPOBSA-N -1 3 216.281 0.260 20 0 BCADHM CCN(CC)CC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000261536339 535488865 /nfs/dbraw/zinc/48/88/65/535488865.db2.gz RHNNHATXHKCHOJ-MRVPVSSYSA-N -1 3 216.281 0.260 20 0 BCADHM CCCn1c(=O)[n-]nc1S[C@H](C)[C@H](C)O ZINC000087140146 535580376 /nfs/dbraw/zinc/58/03/76/535580376.db2.gz CRTQVEVYNCXHJW-NKWVEPMBSA-N -1 3 231.321 0.843 20 0 BCADHM CCC[C@H](C)N(C)CC(=O)NCC(=O)[O-] ZINC000261585796 535630271 /nfs/dbraw/zinc/63/02/71/535630271.db2.gz QPVCSPYYZXKDGY-QMMMGPOBSA-N -1 3 216.281 0.308 20 0 BCADHM CCC[C@H](C)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000336626886 535634456 /nfs/dbraw/zinc/63/44/56/535634456.db2.gz OBGJNHRFKVMCDT-DTWKUNHWSA-N -1 3 225.292 0.411 20 0 BCADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)CC)C(=O)OC ZINC000070238514 535978946 /nfs/dbraw/zinc/97/89/46/535978946.db2.gz HHPZTRKANLPJNE-YUMQZZPRSA-N -1 3 237.321 0.513 20 0 BCADHM COC(=O)CCNC(=O)c1csc(=O)[n-]1 ZINC000348965480 536458543 /nfs/dbraw/zinc/45/85/43/536458543.db2.gz BRRQWLVVTWHORO-UHFFFAOYSA-N -1 3 230.245 0.142 20 0 BCADHM C[C@H]1CN(CC(=O)N2CCCC2)C[C@@H]1C(=O)[O-] ZINC000111254939 588737961 /nfs/dbraw/zinc/73/79/61/588737961.db2.gz PLWUGJXBFNFKOW-UWVGGRQHSA-N -1 3 240.303 0.261 20 0 BCADHM C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1C(=O)[O-] ZINC000111254853 588738066 /nfs/dbraw/zinc/73/80/66/588738066.db2.gz BCUKIMXLVKDCLU-SCZZXKLOSA-N -1 3 240.303 0.260 20 0 BCADHM C[C@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1C(=O)[O-] ZINC000111254855 588738118 /nfs/dbraw/zinc/73/81/18/588738118.db2.gz BCUKIMXLVKDCLU-WPRPVWTQSA-N -1 3 240.303 0.260 20 0 BCADHM CCOC([O-])=NOCCC1(O)CCC1 ZINC000853727211 588759578 /nfs/dbraw/zinc/75/95/78/588759578.db2.gz QHUCLOBLTLNESR-UHFFFAOYSA-N -1 3 203.238 0.969 20 0 BCADHM CCOC(=O)[N-]OCCC1(O)CCC1 ZINC000853727211 588759579 /nfs/dbraw/zinc/75/95/79/588759579.db2.gz QHUCLOBLTLNESR-UHFFFAOYSA-N -1 3 203.238 0.969 20 0 BCADHM CCOC(=O)c1cc(-c2cnn(C)n2)n[n-]1 ZINC000854209307 588779516 /nfs/dbraw/zinc/77/95/16/588779516.db2.gz BWBMJCJYKHDQJL-UHFFFAOYSA-N -1 3 221.220 0.382 20 0 BCADHM CCOC(=O)c1cc(-c2cnn(C)n2)[n-]n1 ZINC000854209307 588779517 /nfs/dbraw/zinc/77/95/17/588779517.db2.gz BWBMJCJYKHDQJL-UHFFFAOYSA-N -1 3 221.220 0.382 20 0 BCADHM CC=C(C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854486076 588789364 /nfs/dbraw/zinc/78/93/64/588789364.db2.gz LVDMWRUSCFQLCL-BAQGIRSFSA-N -1 3 223.276 0.725 20 0 BCADHM CCC[C@@](C)(O)C(=O)[N-]OC1CCN(C)CC1 ZINC000854357130 588784883 /nfs/dbraw/zinc/78/48/83/588784883.db2.gz RJEQQMGZOYZJEB-GFCCVEGCSA-N -1 3 244.335 0.680 20 0 BCADHM CN1CCC(O[N-]C(=O)C2=COCC2)CC1 ZINC000854356528 588785002 /nfs/dbraw/zinc/78/50/02/588785002.db2.gz DGFRQBPRHMGONY-UHFFFAOYSA-N -1 3 226.276 0.433 20 0 BCADHM CN(C)C1(C(=O)[N-]OC2CCN(C)CC2)CC1 ZINC000854358635 588785234 /nfs/dbraw/zinc/78/52/34/588785234.db2.gz ZROGTDGCJQSCHI-UHFFFAOYSA-N -1 3 241.335 0.223 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H]1C[C@@H](C)OC1=O ZINC000854470815 588789010 /nfs/dbraw/zinc/78/90/10/588789010.db2.gz QZKMQZRRGREXQM-PHDIDXHHSA-N -1 3 221.203 0.852 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H]1C[C@H](C)OC1=O ZINC000854470817 588789012 /nfs/dbraw/zinc/78/90/12/588789012.db2.gz QZKMQZRRGREXQM-WDSKDSINSA-N -1 3 221.203 0.852 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H]1C[C@@H](C)OC1=O ZINC000854470816 588789026 /nfs/dbraw/zinc/78/90/26/588789026.db2.gz QZKMQZRRGREXQM-RITPCOANSA-N -1 3 221.203 0.852 20 0 BCADHM O=C(N[C@@H]1COC(=O)C1)c1cccc([O-])c1 ZINC000854556479 588794396 /nfs/dbraw/zinc/79/43/96/588794396.db2.gz ALVHTCIWLVGRPF-QMMMGPOBSA-N -1 3 221.212 0.438 20 0 BCADHM CCn1ncn([N-]C(=O)C2(F)CCCC2)c1=O ZINC000854629230 588798017 /nfs/dbraw/zinc/79/80/17/588798017.db2.gz SRGGYXCNJMBAIL-UHFFFAOYSA-N -1 3 242.254 0.417 20 0 BCADHM C[C@H](CC(=O)[N-]OCCN(C)C)[C@@H]1CCCO1 ZINC000854690615 588801631 /nfs/dbraw/zinc/80/16/31/588801631.db2.gz DIWHIPGMAMJATN-MNOVXSKESA-N -1 3 244.335 0.801 20 0 BCADHM C[C@@H](CC(=O)[N-]OCCN(C)C)[C@@H]1CCCO1 ZINC000854690616 588801709 /nfs/dbraw/zinc/80/17/09/588801709.db2.gz DIWHIPGMAMJATN-QWRGUYRKSA-N -1 3 244.335 0.801 20 0 BCADHM C[C@@H](C(=O)[N-]OCCN(C)C)c1ccccn1 ZINC000854945039 588817687 /nfs/dbraw/zinc/81/76/87/588817687.db2.gz HKFFLGAEXVNXTG-SNVBAGLBSA-N -1 3 237.303 0.795 20 0 BCADHM COC[C@H](OC)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000854991587 588819716 /nfs/dbraw/zinc/81/97/16/588819716.db2.gz FYDANPWOVKIRPC-BQBZGAKWSA-N -1 3 232.305 0.255 20 0 BCADHM CC1=NO[C@H](C(=O)[N-]C2=NC[C@@H](C)S2)C1 ZINC000854992456 588820058 /nfs/dbraw/zinc/82/00/58/588820058.db2.gz MYGWJHHOGZAPSR-RQJHMYQMSA-N -1 3 227.289 0.759 20 0 BCADHM CCON(C)C(=O)C[N-]C(=O)C(F)(F)CC ZINC000855024809 588820689 /nfs/dbraw/zinc/82/06/89/588820689.db2.gz WDEAGGVEUUOMPA-UHFFFAOYSA-N -1 3 238.234 0.558 20 0 BCADHM Cc1cnn(C)c1NC(=O)c1nnc[n-]1 ZINC000855252181 588826555 /nfs/dbraw/zinc/82/65/55/588826555.db2.gz TXAKXAJNAQVTNN-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM Cc1cnn(C)c1NC(=O)c1nc[n-]n1 ZINC000855252181 588826556 /nfs/dbraw/zinc/82/65/56/588826556.db2.gz TXAKXAJNAQVTNN-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H](CO)C1CC1 ZINC000866847433 582459959 /nfs/dbraw/zinc/45/99/59/582459959.db2.gz ACYVORBYTFPRHW-MRVPVSSYSA-N -1 3 246.288 0.032 20 0 BCADHM O=C([N-]C/C=C\CO)C(F)(F)c1nccs1 ZINC000855399670 588831317 /nfs/dbraw/zinc/83/13/17/588831317.db2.gz OOZUPGIDUOKFEE-UPHRSURJSA-N -1 3 248.254 0.900 20 0 BCADHM CCCO[N-]C(=O)CCCCN1CCOCC1 ZINC000844084479 582568524 /nfs/dbraw/zinc/56/85/24/582568524.db2.gz RYANVXHHYMWTJZ-UHFFFAOYSA-N -1 3 244.335 0.947 20 0 BCADHM COCCO[N-]C(=O)[C@H](C)CSC ZINC000300758399 582578614 /nfs/dbraw/zinc/57/86/14/582578614.db2.gz GVVPJEIPNGULNZ-SSDOTTSWSA-N -1 3 207.295 0.680 20 0 BCADHM O=C1[N-]C(=O)N2CCN(CCCC3CC3)C[C@@H]12 ZINC000813336350 582607938 /nfs/dbraw/zinc/60/79/38/582607938.db2.gz FQBULDQQVFIDNQ-JTQLQIEISA-N -1 3 237.303 0.413 20 0 BCADHM COC(=O)c1cc([N-]C(=O)C2(OC)CC2)on1 ZINC000891277651 582652011 /nfs/dbraw/zinc/65/20/11/582652011.db2.gz HVOOOGUNJMIHKJ-UHFFFAOYSA-N -1 3 240.215 0.579 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@H](C)[C@H](C)COC ZINC000891340315 582666936 /nfs/dbraw/zinc/66/69/36/582666936.db2.gz PUDRSOJYDIXUKV-SFYZADRCSA-N -1 3 241.295 0.550 20 0 BCADHM CCn1nnnc1[N-]C(=O)/C=C\[C@H]1CCOC1 ZINC000891339508 582667182 /nfs/dbraw/zinc/66/71/82/582667182.db2.gz DUVZVQCQPTWGIF-VEMNSZJBSA-N -1 3 237.263 0.224 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H]1CCCS1 ZINC000891341232 582667671 /nfs/dbraw/zinc/66/76/71/582667671.db2.gz WKJHVPBZJBKUBK-ZCFIWIBFSA-N -1 3 227.293 0.527 20 0 BCADHM O=C(NN1CCc2ccccc2C1)c1c[n-]nn1 ZINC000855710752 588845748 /nfs/dbraw/zinc/84/57/48/588845748.db2.gz BUOSFPBHOSZIOC-UHFFFAOYSA-N -1 3 243.270 0.508 20 0 BCADHM O=C(NN1CCc2ccccc2C1)c1cnn[n-]1 ZINC000855710752 588845749 /nfs/dbraw/zinc/84/57/49/588845749.db2.gz BUOSFPBHOSZIOC-UHFFFAOYSA-N -1 3 243.270 0.508 20 0 BCADHM O=C(NN1CCc2ccccc2C1)c1cn[n-]n1 ZINC000855710752 588845750 /nfs/dbraw/zinc/84/57/50/588845750.db2.gz BUOSFPBHOSZIOC-UHFFFAOYSA-N -1 3 243.270 0.508 20 0 BCADHM [O-]c1ccc(CN2C[C@H](O)C[C@H](O)C2)cc1F ZINC000892205739 582807558 /nfs/dbraw/zinc/80/75/58/582807558.db2.gz KCDUOECEQSVGLK-AOOOYVTPSA-N -1 3 241.262 0.459 20 0 BCADHM COc1cccc(C(=O)N2CC[C@H]2CO)c1[O-] ZINC000889132174 582830691 /nfs/dbraw/zinc/83/06/91/582830691.db2.gz CRBHYJDFIHPDCG-QMMMGPOBSA-N -1 3 237.255 0.608 20 0 BCADHM C/C(=C\CN(CC(N)=O)CC(C)C)C(=O)[O-] ZINC000214757513 582852318 /nfs/dbraw/zinc/85/23/18/582852318.db2.gz ZGVWNOLCMWMYGI-RUDMXATFSA-N -1 3 228.292 0.461 20 0 BCADHM O=C([N-]OCCN1CCCC1=O)[C@H]1CC12CC2 ZINC000856044984 588858405 /nfs/dbraw/zinc/85/84/05/588858405.db2.gz FYJIWAIQMZWLDG-SECBINFHSA-N -1 3 238.287 0.457 20 0 BCADHM Cc1nc(NCC2(C)COC2)cc(=O)[n-]1 ZINC000892505958 582900802 /nfs/dbraw/zinc/90/08/02/582900802.db2.gz PLFMMGYRPLSEFH-UHFFFAOYSA-N -1 3 209.249 0.939 20 0 BCADHM O=c1cc(N2CCC[C@H](OCCO)C2)nc[n-]1 ZINC000892554555 582912643 /nfs/dbraw/zinc/91/26/43/582912643.db2.gz LGTUPCSDBKJIAU-VIFPVBQESA-N -1 3 239.275 0.160 20 0 BCADHM COCCOC[C@H](C)Nc1cc(=O)[n-]cn1 ZINC000892677799 582950747 /nfs/dbraw/zinc/95/07/47/582950747.db2.gz NTMOEWQEINPIJX-QMMMGPOBSA-N -1 3 227.264 0.646 20 0 BCADHM O=c1cc(N(CCCCO)C2CC2)nc[n-]1 ZINC000892794450 582984654 /nfs/dbraw/zinc/98/46/54/582984654.db2.gz UTKOMITVPFKRBI-UHFFFAOYSA-N -1 3 223.276 0.924 20 0 BCADHM O=C(NCCCn1cncn1)c1cccc([O-])c1 ZINC000394548358 583005746 /nfs/dbraw/zinc/00/57/46/583005746.db2.gz FWXGOMPLCIKIJC-UHFFFAOYSA-N -1 3 246.270 0.804 20 0 BCADHM Cc1nc(N[C@H](CO)c2cnn(C)c2)cc(=O)[n-]1 ZINC000892993628 583026012 /nfs/dbraw/zinc/02/60/12/583026012.db2.gz MIRRVXNGABPOLE-SECBINFHSA-N -1 3 249.274 0.370 20 0 BCADHM COCC1(O)CCN(c2cc(=O)[n-]cn2)CC1 ZINC000893009960 583029091 /nfs/dbraw/zinc/02/90/91/583029091.db2.gz WCXJTLVUIMIRDH-UHFFFAOYSA-N -1 3 239.275 0.160 20 0 BCADHM O=c1cc(N[C@@H]2CCn3ccnc3C2)nc[n-]1 ZINC000893264428 583080879 /nfs/dbraw/zinc/08/08/79/583080879.db2.gz DBOMMOUIMORSJT-MRVPVSSYSA-N -1 3 231.259 0.806 20 0 BCADHM CS(=O)(=O)CCCC(=O)[N-]OCC1CCC1 ZINC000856347303 588869118 /nfs/dbraw/zinc/86/91/18/588869118.db2.gz LOTLGJRCRSGKMH-UHFFFAOYSA-N -1 3 249.332 0.659 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]OCC1CCC1 ZINC000856349400 588869732 /nfs/dbraw/zinc/86/97/32/588869732.db2.gz MUGPNCBZEWFTAH-JTQLQIEISA-N -1 3 212.293 0.929 20 0 BCADHM O=C(NCc1cn[nH]n1)c1ccccc1[O-] ZINC000398352959 583128844 /nfs/dbraw/zinc/12/88/44/583128844.db2.gz GKDPGHIJWBNXAD-UHFFFAOYSA-N -1 3 218.216 0.440 20 0 BCADHM COCCO[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000893369880 583129629 /nfs/dbraw/zinc/12/96/29/583129629.db2.gz IWHXALQITQOYKN-SECBINFHSA-N -1 3 239.275 0.424 20 0 BCADHM O=c1cc(NCCN2CCCOCC2)nc[n-]1 ZINC000893383608 583132755 /nfs/dbraw/zinc/13/27/55/583132755.db2.gz VHVAOQQTGULJGI-UHFFFAOYSA-N -1 3 238.291 0.316 20 0 BCADHM C[C@@H](CNc1cc(=O)[n-]cn1)c1nncn1C ZINC000893400113 583136878 /nfs/dbraw/zinc/13/68/78/583136878.db2.gz CQNKZQJVRGIQDI-ZETCQYMHSA-N -1 3 234.263 0.526 20 0 BCADHM C[C@H](CNc1cc(=O)[n-]cn1)c1nncn1C ZINC000893400112 583136958 /nfs/dbraw/zinc/13/69/58/583136958.db2.gz CQNKZQJVRGIQDI-SSDOTTSWSA-N -1 3 234.263 0.526 20 0 BCADHM CC(C)CNC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000218289042 583173229 /nfs/dbraw/zinc/17/32/29/583173229.db2.gz UPZLHZKGMCISJD-VHSXEESVSA-N -1 3 242.319 0.554 20 0 BCADHM CCCNC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000223836319 583181907 /nfs/dbraw/zinc/18/19/07/583181907.db2.gz DEVDYUANSXZYAY-UTLUCORTSA-N -1 3 242.319 0.554 20 0 BCADHM COCc1nc(N[C@@H](C)CN(C)C)cc(=O)[n-]1 ZINC000893855875 583233920 /nfs/dbraw/zinc/23/39/20/583233920.db2.gz IOVCYCDUHJOIOO-QMMMGPOBSA-N -1 3 240.307 0.691 20 0 BCADHM COC[C@@]1(CO)CCN(c2cc(=O)[n-]cn2)C1 ZINC000894111283 583308899 /nfs/dbraw/zinc/30/88/99/583308899.db2.gz DAUHOVFEACIXSV-NSHDSACASA-N -1 3 239.275 0.017 20 0 BCADHM Cn1cc(C(=O)[N-]OC(C)(C)CO)c(Cl)n1 ZINC000857283667 588902987 /nfs/dbraw/zinc/90/29/87/588902987.db2.gz LQQXBAMOORJRMP-UHFFFAOYSA-N -1 3 247.682 0.506 20 0 BCADHM CON1CCC(Nc2cc(=O)[n-]c(C)n2)CC1 ZINC000894252090 583392813 /nfs/dbraw/zinc/39/28/13/583392813.db2.gz UZRXNPQWEUSUPO-UHFFFAOYSA-N -1 3 238.291 0.928 20 0 BCADHM O=c1cc(N[C@H](CO)CCF)nc[n-]1 ZINC000894401291 583449604 /nfs/dbraw/zinc/44/96/04/583449604.db2.gz BKFVRGUTFVYUBA-LURJTMIESA-N -1 3 201.201 0.315 20 0 BCADHM COCc1nc(N[C@H](CO)CCF)cc(=O)[n-]1 ZINC000894403425 583450238 /nfs/dbraw/zinc/45/02/38/583450238.db2.gz OPVULEYHRPYKOZ-ZETCQYMHSA-N -1 3 245.254 0.461 20 0 BCADHM Cn1cc(CCC(=O)[N-]OC(C)(C)CO)cn1 ZINC000857285284 588903463 /nfs/dbraw/zinc/90/34/63/588903463.db2.gz XUPSWLKHPRWJEX-UHFFFAOYSA-N -1 3 241.291 0.171 20 0 BCADHM CC(C)(CO)O[N-]C(=O)/C=C/c1ccc[nH]1 ZINC000857285071 588903642 /nfs/dbraw/zinc/90/36/42/588903642.db2.gz XUXITWIDOVPWJB-AATRIKPKSA-N -1 3 224.260 0.847 20 0 BCADHM Cc1cnn(CCC(=O)[N-]OC(C)(C)CO)c1 ZINC000857285242 588903699 /nfs/dbraw/zinc/90/36/99/588903699.db2.gz VNLDVIKVAOGFHW-UHFFFAOYSA-N -1 3 241.291 0.400 20 0 BCADHM COCCOCCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000857286905 588903998 /nfs/dbraw/zinc/90/39/98/588903998.db2.gz JZYJWLPWHRCCOH-JTQLQIEISA-N -1 3 249.307 0.104 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1CCOC[C@@H]1C ZINC000857286035 588904220 /nfs/dbraw/zinc/90/42/20/588904220.db2.gz QLGBIWZASUTOCY-DCAQKATOSA-N -1 3 245.319 0.724 20 0 BCADHM Cc1nc(N2CC[C@H](O)C(F)(F)C2)cc(=O)[n-]1 ZINC000894523202 583477966 /nfs/dbraw/zinc/47/79/66/583477966.db2.gz CFPVXTLDOMDJAH-ZETCQYMHSA-N -1 3 245.229 0.697 20 0 BCADHM C[C@H](O)[C@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000894572788 583485628 /nfs/dbraw/zinc/48/56/28/583485628.db2.gz NUWKQJKAWDVZFF-JGVFFNPUSA-N -1 3 209.249 0.532 20 0 BCADHM O=c1cc(N[C@@H]2C[C@H](O)C23CCC3)nc[n-]1 ZINC000894576567 583487411 /nfs/dbraw/zinc/48/74/11/583487411.db2.gz DBIPHMNJDFFBII-SFYZADRCSA-N -1 3 221.260 0.898 20 0 BCADHM O=c1cc(N[C@@H]2C[C@@H](O)C23CCC3)nc[n-]1 ZINC000894576565 583487445 /nfs/dbraw/zinc/48/74/45/583487445.db2.gz DBIPHMNJDFFBII-HTQZYQBOSA-N -1 3 221.260 0.898 20 0 BCADHM O=c1cc(N2CC3(C2)CCCO3)nc[n-]1 ZINC000894731462 583513648 /nfs/dbraw/zinc/51/36/48/583513648.db2.gz SIYRAKWWKSATKC-UHFFFAOYSA-N -1 3 207.233 0.551 20 0 BCADHM CC(F)(F)C(=O)[N-][C@@]1(C)CCNC1=O ZINC000889028962 583544680 /nfs/dbraw/zinc/54/46/80/583544680.db2.gz JFYFDGGWVTZNDS-ZETCQYMHSA-N -1 3 206.192 0.036 20 0 BCADHM Fc1cnc(N2CCC(c3nnn[n-]3)CC2)nc1 ZINC000895006343 583565956 /nfs/dbraw/zinc/56/59/56/583565956.db2.gz NNZMVQLFIDBHNF-UHFFFAOYSA-N -1 3 249.253 0.513 20 0 BCADHM Fc1cnc(N2CCC(c3nn[n-]n3)CC2)nc1 ZINC000895006343 583565957 /nfs/dbraw/zinc/56/59/57/583565957.db2.gz NNZMVQLFIDBHNF-UHFFFAOYSA-N -1 3 249.253 0.513 20 0 BCADHM O=C1OCC[C@H]1CCCNc1cc(=O)[n-]cn1 ZINC000895071472 583579282 /nfs/dbraw/zinc/57/92/82/583579282.db2.gz KJQVRLCHFQJNHO-MRVPVSSYSA-N -1 3 237.259 0.937 20 0 BCADHM O=C(OCCn1cncn1)c1ccc([O-])cc1 ZINC000727180703 583620257 /nfs/dbraw/zinc/62/02/57/583620257.db2.gz SERUHDSPEKTZPF-UHFFFAOYSA-N -1 3 233.227 0.841 20 0 BCADHM O=c1cc(N[C@@H]2CC[C@@H](O)[C@@H](O)CC2)nc[n-]1 ZINC000895201550 583624694 /nfs/dbraw/zinc/62/46/94/583624694.db2.gz HXPYQOULTVRPIE-PSVAKVPMSA-N -1 3 239.275 0.259 20 0 BCADHM C[C@@H](C(=O)N[N-]C(=O)c1ccoc1)n1cccn1 ZINC000142800557 583633930 /nfs/dbraw/zinc/63/39/30/583633930.db2.gz BLROLAFNSCQUNU-QMMMGPOBSA-N -1 3 248.242 0.498 20 0 BCADHM CO[N-]C(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1 ZINC000895622094 583696917 /nfs/dbraw/zinc/69/69/17/583696917.db2.gz GOUMYXRAOLOWST-DTWKUNHWSA-N -1 3 245.275 0.365 20 0 BCADHM CCOC(=O)N(C)CCCC(=O)[N-]OC ZINC000895623651 583697531 /nfs/dbraw/zinc/69/75/31/583697531.db2.gz RLEUYERWJMMFRU-UHFFFAOYSA-N -1 3 218.253 0.533 20 0 BCADHM Cc1ccc([O-])c(CN2C[C@@H]3C[C@]3(O)C2)n1 ZINC000895648449 583699391 /nfs/dbraw/zinc/69/93/91/583699391.db2.gz NAJOBRVSTDMVJB-CABZTGNLSA-N -1 3 220.272 0.662 20 0 BCADHM Cc1ccc([O-])c(CN2C[C@H]3C[C@@]3(O)C2)n1 ZINC000895648448 583699611 /nfs/dbraw/zinc/69/96/11/583699611.db2.gz NAJOBRVSTDMVJB-BXKDBHETSA-N -1 3 220.272 0.662 20 0 BCADHM C[C@H]1COCCN(c2nc3nncc-3c(O)[n-]2)C1 ZINC000895778910 583726697 /nfs/dbraw/zinc/72/66/97/583726697.db2.gz BEHPHYJJXXRYJY-SSDOTTSWSA-N -1 3 249.274 0.531 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2CCOC2=O)n1 ZINC000895802118 583731184 /nfs/dbraw/zinc/73/11/84/583731184.db2.gz XZUHEHUYOLUYAU-QMMMGPOBSA-N -1 3 222.244 0.501 20 0 BCADHM O=C([N-][C@@H]1CCn2cncc21)C(F)F ZINC000857981804 588927836 /nfs/dbraw/zinc/92/78/36/588927836.db2.gz JGCOZTUOIXZRHN-RXMQYKEDSA-N -1 3 201.176 0.709 20 0 BCADHM CCC[C@@H](O)CCN=c1ncnc2[nH][n-]cc1-2 ZINC000896192449 583782621 /nfs/dbraw/zinc/78/26/21/583782621.db2.gz WUBGXOYUVQFWSO-MRVPVSSYSA-N -1 3 235.291 0.689 20 0 BCADHM O=c1cc(-c2noc(COC3CC3)n2)nc[n-]1 ZINC000896700077 583823008 /nfs/dbraw/zinc/82/30/08/583823008.db2.gz BCGFPRRRVOTUOS-UHFFFAOYSA-N -1 3 234.215 0.911 20 0 BCADHM NC(=O)CO[N-]C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000897303913 583912757 /nfs/dbraw/zinc/91/27/57/583912757.db2.gz ZPBBDEJOEUIUAS-QMMMGPOBSA-N -1 3 242.275 0.011 20 0 BCADHM NC(=O)CO[N-]C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000897303912 583912884 /nfs/dbraw/zinc/91/28/84/583912884.db2.gz ZPBBDEJOEUIUAS-MRVPVSSYSA-N -1 3 242.275 0.011 20 0 BCADHM O=C(O[C@H]1CCC(=O)NC1=O)c1ccc([O-])cc1 ZINC000798567797 583944512 /nfs/dbraw/zinc/94/45/12/583944512.db2.gz DKBJRRMONIVGGM-VIFPVBQESA-N -1 3 249.222 0.354 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897427219 583969199 /nfs/dbraw/zinc/96/91/99/583969199.db2.gz WGVQNXQUMXCQNN-JTQLQIEISA-N -1 3 244.335 0.944 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@]1(C)CCNC1=O ZINC000889024929 583991894 /nfs/dbraw/zinc/99/18/94/583991894.db2.gz MIDHTVFWSIRAPY-QMMMGPOBSA-N -1 3 220.219 0.427 20 0 BCADHM C[C@H]1CO[C@H](C(=O)[N-]OC2CCN(C)CC2)C1 ZINC000897675254 584035421 /nfs/dbraw/zinc/03/54/21/584035421.db2.gz WIQUAHANOWLLCW-KOLCDFICSA-N -1 3 242.319 0.553 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H]1C[C@@H](C)CO1 ZINC000897694908 584040964 /nfs/dbraw/zinc/04/09/64/584040964.db2.gz SIOJENCISOMEJR-SFYZADRCSA-N -1 3 224.264 0.662 20 0 BCADHM CC(C)[C@@H]1CN(CCC(=O)[O-])CCO1 ZINC000200165757 588951795 /nfs/dbraw/zinc/95/17/95/588951795.db2.gz ORBSPDHCIMBVBI-VIFPVBQESA-N -1 3 201.266 0.818 20 0 BCADHM O=C(Nc1cccc2n[n-]nc21)[C@H]1C[C@@H](O)C1 ZINC000897896841 584058593 /nfs/dbraw/zinc/05/85/93/584058593.db2.gz BDIYTUCNSDGODA-KNVOCYPGSA-N -1 3 232.243 0.667 20 0 BCADHM O=C1[N-]C(=O)C2(CN(Cc3ccsc3)C2)N1 ZINC000897908150 584059859 /nfs/dbraw/zinc/05/98/59/584059859.db2.gz RDCWNCHEUFNRGY-UHFFFAOYSA-N -1 3 237.284 0.142 20 0 BCADHM CCC(CC)CN1CC2(C1)NC(=O)[N-]C2=O ZINC000897904727 584060089 /nfs/dbraw/zinc/06/00/89/584060089.db2.gz AUSZASQULMSHBK-UHFFFAOYSA-N -1 3 225.292 0.316 20 0 BCADHM CC(C)(C)N1CC[C@@H]1C(=O)[N-]OC(C)(C)CO ZINC000897951666 584063391 /nfs/dbraw/zinc/06/33/91/584063391.db2.gz UEWBFYXVNUDAEI-SECBINFHSA-N -1 3 244.335 0.678 20 0 BCADHM CO[C@@H](C)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898210929 584092262 /nfs/dbraw/zinc/09/22/62/584092262.db2.gz KSKSOVUQKSODKW-JGVFFNPUSA-N -1 3 239.275 0.466 20 0 BCADHM O=C(c1cn[nH]c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211102 584092427 /nfs/dbraw/zinc/09/24/27/584092427.db2.gz MCMOVPVUSTVAPV-SSDOTTSWSA-N -1 3 247.258 0.468 20 0 BCADHM O=C(C1CC(=O)C1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217763 584092493 /nfs/dbraw/zinc/09/24/93/584092493.db2.gz RDIXDQFQTYJHFL-ZETCQYMHSA-N -1 3 249.270 0.410 20 0 BCADHM COCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898213220 584092754 /nfs/dbraw/zinc/09/27/54/584092754.db2.gz SXTCIQUELJOXGB-QMMMGPOBSA-N -1 3 239.275 0.468 20 0 BCADHM O=C(N1CC[C@H](c2cc(=O)[nH][n-]2)C1)C1(F)CC1 ZINC000898225024 584102591 /nfs/dbraw/zinc/10/25/91/584102591.db2.gz FCAWHMVCQWZFKJ-ZETCQYMHSA-N -1 3 239.250 0.933 20 0 BCADHM CC(C)[C@H]1C[C@@H](CC(=O)[N-]OCCO)CCO1 ZINC000787292025 584118146 /nfs/dbraw/zinc/11/81/46/584118146.db2.gz OTIZPIFFDWBTEW-WDEREUQCSA-N -1 3 245.319 0.868 20 0 BCADHM C[C@@H](CN(C)c1nccnc1F)c1nnn[n-]1 ZINC000858481544 588959276 /nfs/dbraw/zinc/95/92/76/588959276.db2.gz JGCHDBKAVKECKE-LURJTMIESA-N -1 3 237.242 0.369 20 0 BCADHM C[C@@H](CN(C)c1nccnc1F)c1nn[n-]n1 ZINC000858481544 588959278 /nfs/dbraw/zinc/95/92/78/588959278.db2.gz JGCHDBKAVKECKE-LURJTMIESA-N -1 3 237.242 0.369 20 0 BCADHM CC(C)CC(=O)NCCCc1c[n-][nH]c1=O ZINC000898728222 584155631 /nfs/dbraw/zinc/15/56/31/584155631.db2.gz HSFLCAPHTIXDPK-VIFPVBQESA-N -1 3 225.292 0.661 20 0 BCADHM CC[C@@H](C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898730940 584155642 /nfs/dbraw/zinc/15/56/42/584155642.db2.gz MHHDEDKYLXZVBN-BDAKNGLRSA-N -1 3 225.292 0.661 20 0 BCADHM CCCC(=O)NCCCc1c[n-][nH]c1=O ZINC000898729184 584155787 /nfs/dbraw/zinc/15/57/87/584155787.db2.gz PNBAMTPQROWQNY-QMMMGPOBSA-N -1 3 211.265 0.415 20 0 BCADHM Cn1cccc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898726219 584156220 /nfs/dbraw/zinc/15/62/20/584156220.db2.gz XWMWTKAHJRZSOL-SECBINFHSA-N -1 3 248.286 0.267 20 0 BCADHM CC1(C)C[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898737097 584156638 /nfs/dbraw/zinc/15/66/38/584156638.db2.gz NGVGEZXKOOKUTJ-BDAKNGLRSA-N -1 3 237.303 0.661 20 0 BCADHM Cc1coc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC000898745053 584156770 /nfs/dbraw/zinc/15/67/70/584156770.db2.gz LFGWIFNRFIHYOF-VIFPVBQESA-N -1 3 249.270 0.830 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739820 584157557 /nfs/dbraw/zinc/15/75/57/584157557.db2.gz NBWGNZZKJRXEFG-YIZRAAEISA-N -1 3 223.276 0.271 20 0 BCADHM Cc1cccc(CO[N-]C(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC000898931103 584166189 /nfs/dbraw/zinc/16/61/89/584166189.db2.gz MURLKLNLQRNXAU-GDNZZTSVSA-N -1 3 248.282 0.830 20 0 BCADHM COCC(C)(C)CC(=O)[N-]OCCO ZINC000898939044 584166689 /nfs/dbraw/zinc/16/66/89/584166689.db2.gz GDZOEBSCMOQIKU-UHFFFAOYSA-N -1 3 205.254 0.089 20 0 BCADHM COC(=O)c1cc(C[N-]C(=O)C(F)F)ccn1 ZINC000898993059 584168527 /nfs/dbraw/zinc/16/85/27/584168527.db2.gz FRYVWVQVEWSECI-UHFFFAOYSA-N -1 3 244.197 0.750 20 0 BCADHM CN(C)C[C@H](CO)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858545677 588963975 /nfs/dbraw/zinc/96/39/75/588963975.db2.gz HWRTUQMGUKUCCQ-ZCFIWIBFSA-N -1 3 246.698 0.170 20 0 BCADHM C[C@H](CO)n1[n-]cc2c(=O)cccc-2c1=O ZINC000899353519 584200208 /nfs/dbraw/zinc/20/02/08/584200208.db2.gz PPHSVAPGBHZWHI-SSDOTTSWSA-N -1 3 220.228 0.655 20 0 BCADHM C[C@H](CO)n1ncc2c([O-])cccc2c1=O ZINC000899353519 584200211 /nfs/dbraw/zinc/20/02/11/584200211.db2.gz PPHSVAPGBHZWHI-SSDOTTSWSA-N -1 3 220.228 0.655 20 0 BCADHM Cc1[n-]n([C@@H]2CCCC[C@H]2O)c(=O)c1F ZINC000899365135 584205148 /nfs/dbraw/zinc/20/51/48/584205148.db2.gz PUCSXRHCLKXKLZ-IWSPIJDZSA-N -1 3 214.240 0.846 20 0 BCADHM O=C(NCc1cc(C2CC2)no1)c1c[n-]nn1 ZINC000899369679 584208404 /nfs/dbraw/zinc/20/84/04/584208404.db2.gz HRSQJVCPPUWKON-UHFFFAOYSA-N -1 3 233.231 0.600 20 0 BCADHM O=C(NCc1cc(C2CC2)no1)c1cnn[n-]1 ZINC000899369679 584208406 /nfs/dbraw/zinc/20/84/06/584208406.db2.gz HRSQJVCPPUWKON-UHFFFAOYSA-N -1 3 233.231 0.600 20 0 BCADHM O=C(NCc1cc(C2CC2)no1)c1cn[n-]n1 ZINC000899369679 584208409 /nfs/dbraw/zinc/20/84/09/584208409.db2.gz HRSQJVCPPUWKON-UHFFFAOYSA-N -1 3 233.231 0.600 20 0 BCADHM CN1CCC[C@@H](C(=O)[N-]C2=NCCS2)C1=O ZINC000900005446 584264213 /nfs/dbraw/zinc/26/42/13/584264213.db2.gz AEMFPYPSXAPIFW-ZETCQYMHSA-N -1 3 241.316 0.074 20 0 BCADHM CC[C@@H](O)[C@@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000900442729 584308420 /nfs/dbraw/zinc/30/84/20/584308420.db2.gz PCQMKLCPPJQGPW-PHDIDXHHSA-N -1 3 244.320 0.872 20 0 BCADHM CC[C@@H](O)[C@@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000900442729 584308421 /nfs/dbraw/zinc/30/84/21/584308421.db2.gz PCQMKLCPPJQGPW-PHDIDXHHSA-N -1 3 244.320 0.872 20 0 BCADHM CC[C@@H](O)[C@@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000900442729 584308422 /nfs/dbraw/zinc/30/84/22/584308422.db2.gz PCQMKLCPPJQGPW-PHDIDXHHSA-N -1 3 244.320 0.872 20 0 BCADHM Cn1ncc(C(=O)[N-]c2noc3c2CCCC3)n1 ZINC000900787829 584351460 /nfs/dbraw/zinc/35/14/60/584351460.db2.gz NWNURSUVCSYGGX-UHFFFAOYSA-N -1 3 247.258 0.934 20 0 BCADHM CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)CCN ZINC000901101302 584388211 /nfs/dbraw/zinc/38/82/11/584388211.db2.gz LEEATUXKEWPRTB-HTQZYQBOSA-N -1 3 236.337 0.073 20 0 BCADHM O=C([N-]C1=NCCS1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000901155783 584392088 /nfs/dbraw/zinc/39/20/88/584392088.db2.gz ZNDJBZPUAXQGCH-XLPZGREQSA-N -1 3 238.312 0.821 20 0 BCADHM CC/C=C(/F)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000901423208 584441961 /nfs/dbraw/zinc/44/19/61/584441961.db2.gz BMEOZVFETMSJDC-WEVVVXLNSA-N -1 3 246.282 0.725 20 0 BCADHM CC[C@@H](C(=O)N([C@@H](C)C(=O)[O-])C1CC1)N(C)C ZINC000901639574 584473226 /nfs/dbraw/zinc/47/32/26/584473226.db2.gz FMBHGZFHNPMZQL-WPRPVWTQSA-N -1 3 242.319 0.791 20 0 BCADHM CC[C@H](C(=O)N([C@@H](C)C(=O)[O-])C1CC1)N(C)C ZINC000901639573 584473320 /nfs/dbraw/zinc/47/33/20/584473320.db2.gz FMBHGZFHNPMZQL-WCBMZHEXSA-N -1 3 242.319 0.791 20 0 BCADHM CC[C@H](NC(=O)CN(C)CC(C)(C)C)C(=O)[O-] ZINC000901704979 584478926 /nfs/dbraw/zinc/47/89/26/584478926.db2.gz XSPCMYGMHLDFEM-VIFPVBQESA-N -1 3 244.335 0.944 20 0 BCADHM C[C@@](CCF)(NCc1cn[nH]c1)C(=O)[O-] ZINC000901915263 584503642 /nfs/dbraw/zinc/50/36/42/584503642.db2.gz KVZWKZPFFVZPJV-VIFPVBQESA-N -1 3 215.228 0.702 20 0 BCADHM Cn1cncc1CN[C@](C)(CCF)C(=O)[O-] ZINC000901915783 584503721 /nfs/dbraw/zinc/50/37/21/584503721.db2.gz PMUHGXPUHJEFII-SNVBAGLBSA-N -1 3 229.255 0.713 20 0 BCADHM C[C@](CCF)(NCc1cn[nH]c1)C(=O)[O-] ZINC000901915262 584503858 /nfs/dbraw/zinc/50/38/58/584503858.db2.gz KVZWKZPFFVZPJV-SECBINFHSA-N -1 3 215.228 0.702 20 0 BCADHM CC[C@@](C)(CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1)OC ZINC000901909682 584505423 /nfs/dbraw/zinc/50/54/23/584505423.db2.gz JIYXFKMLMMWTCV-FOGDFJRCSA-N -1 3 245.319 0.975 20 0 BCADHM CCN(CC)CC(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000902111471 584526802 /nfs/dbraw/zinc/52/68/02/584526802.db2.gz GNZMVMLCJWLJKP-GFCCVEGCSA-N -1 3 242.319 0.794 20 0 BCADHM Cn1c(=O)[n-]nc1SCC[C@@H]1CCNC1=O ZINC000902201632 584537287 /nfs/dbraw/zinc/53/72/87/584537287.db2.gz LSFVCLDEKRWYGC-LURJTMIESA-N -1 3 242.304 0.139 20 0 BCADHM [O-]c1cc(Cl)cc(CN[C@@H]2COC[C@H]2O)c1 ZINC000902584522 584639215 /nfs/dbraw/zinc/63/92/15/584639215.db2.gz MNCZUFRGNFAFQU-GHMZBOCLSA-N -1 3 243.690 0.895 20 0 BCADHM CCO[N-]C(=O)CNCc1ccccc1NC ZINC000902616004 584644083 /nfs/dbraw/zinc/64/40/83/584644083.db2.gz OUNZOLMZRZHZOL-UHFFFAOYSA-N -1 3 237.303 0.886 20 0 BCADHM CCCN(C)CC(=O)NC1CC(C(=O)[O-])C1 ZINC000902653184 584651606 /nfs/dbraw/zinc/65/16/06/584651606.db2.gz VHFNVDHCPYTCNV-UHFFFAOYSA-N -1 3 228.292 0.308 20 0 BCADHM CC[C@H](CNC(=O)CN(CC)CC)C(=O)[O-] ZINC000902848660 584681630 /nfs/dbraw/zinc/68/16/30/584681630.db2.gz VIQBAEIPGNWJDH-SECBINFHSA-N -1 3 230.308 0.555 20 0 BCADHM CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C(=O)[O-] ZINC000902849813 584681997 /nfs/dbraw/zinc/68/19/97/584681997.db2.gz YPXVEJLEAPVWAY-UWVGGRQHSA-N -1 3 244.335 0.800 20 0 BCADHM CCN1CCC[C@H]([N-]C(=O)C(C)(F)F)C1=O ZINC000902962329 584706997 /nfs/dbraw/zinc/70/69/97/584706997.db2.gz FUZHALJXAVRNQB-ZETCQYMHSA-N -1 3 234.246 0.769 20 0 BCADHM CS(=O)(=O)[N-]C1(c2ccccc2F)COC1 ZINC000903653527 584789092 /nfs/dbraw/zinc/78/90/92/584789092.db2.gz IXJNIXTVOVDRPR-UHFFFAOYSA-N -1 3 245.275 0.600 20 0 BCADHM O=C([O-])[C@H]1c2ccccc2OCCN1CCO ZINC000903926742 584824383 /nfs/dbraw/zinc/82/43/83/584824383.db2.gz GESNMYFNZBUVSE-LLVKDONJSA-N -1 3 237.255 0.499 20 0 BCADHM Cn1nccc1CN1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000903936569 584826129 /nfs/dbraw/zinc/82/61/29/584826129.db2.gz MVZUZJILDCHRET-SKDRFNHKSA-N -1 3 235.287 0.859 20 0 BCADHM O=C([O-])[C@]1(NCc2ccc(F)nc2)CCOC1 ZINC000904009252 584837645 /nfs/dbraw/zinc/83/76/45/584837645.db2.gz BDFYWUUTRGPABT-NSHDSACASA-N -1 3 240.234 0.554 20 0 BCADHM CCCCN([O-])C(=O)NOCCOC ZINC000904183338 584844807 /nfs/dbraw/zinc/84/48/07/584844807.db2.gz IKYWXDLIGHPBOP-UHFFFAOYSA-N -1 3 206.242 0.765 20 0 BCADHM CC(C)C[C@@H]1C[C@H]1C(=O)[N-]c1nnnn1C ZINC000904191309 584849106 /nfs/dbraw/zinc/84/91/06/584849106.db2.gz JNCPIDZJCNALCH-HTQZYQBOSA-N -1 3 223.280 0.831 20 0 BCADHM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904191779 584849255 /nfs/dbraw/zinc/84/92/55/584849255.db2.gz PCIRCBTZNXJYAX-JGVFFNPUSA-N -1 3 239.279 0.354 20 0 BCADHM C[C@H](C(=O)[N-]c1nnnn1C)C1CCC1 ZINC000904191967 584849272 /nfs/dbraw/zinc/84/92/72/584849272.db2.gz UXTWTOKMKPWUIL-LURJTMIESA-N -1 3 209.253 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)CSC1CC1 ZINC000904193341 584849652 /nfs/dbraw/zinc/84/96/52/584849652.db2.gz FJYQSYMVPDUVCC-UHFFFAOYSA-N -1 3 213.266 0.044 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CCCSC1 ZINC000904194101 584849689 /nfs/dbraw/zinc/84/96/89/584849689.db2.gz TYVHUYIRLWOCAE-LURJTMIESA-N -1 3 227.293 0.292 20 0 BCADHM CO[C@H]1CCC[C@H](C(=O)[N-]c2nnnn2C)C1 ZINC000904193565 584849694 /nfs/dbraw/zinc/84/96/94/584849694.db2.gz JYUWQOMBXOTAFL-YUMQZZPRSA-N -1 3 239.279 0.354 20 0 BCADHM CCCC[C@@H](C)C(=O)[N-]c1nnnn1C ZINC000904193401 584849821 /nfs/dbraw/zinc/84/98/21/584849821.db2.gz HLJZTPAOQRCXLM-SSDOTTSWSA-N -1 3 211.269 0.975 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1(F)CCCCC1 ZINC000904193160 584849914 /nfs/dbraw/zinc/84/99/14/584849914.db2.gz BPIFHMOWUHZFHG-UHFFFAOYSA-N -1 3 227.243 0.821 20 0 BCADHM C[C@@H]1CC[C@@H](C(=O)[N-]c2nnnn2C)C1 ZINC000904194938 584850152 /nfs/dbraw/zinc/85/01/52/584850152.db2.gz HIVBSDNLPHZTIZ-RNFRBKRXSA-N -1 3 209.253 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CC12CCCC2 ZINC000904194679 584850174 /nfs/dbraw/zinc/85/01/74/584850174.db2.gz KBIOUJBWSNZPEI-SSDOTTSWSA-N -1 3 221.264 0.729 20 0 BCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904196507 584850842 /nfs/dbraw/zinc/85/08/42/584850842.db2.gz ZPPARRQBAUQJQO-XCBNKYQSSA-N -1 3 223.280 0.831 20 0 BCADHM Cn1nnnc1[N-]C(=O)C=C1CCCC1 ZINC000904198844 584850916 /nfs/dbraw/zinc/85/09/16/584850916.db2.gz CXXBIKIRYDTKFQ-UHFFFAOYSA-N -1 3 207.237 0.649 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCc2ccccc21 ZINC000904199073 584851093 /nfs/dbraw/zinc/85/10/93/584851093.db2.gz DZSYSIBUHYMVNS-SNVBAGLBSA-N -1 3 243.270 0.879 20 0 BCADHM C[C@@H](CC(=O)[N-]c1nnnn1C)n1cccc1 ZINC000904200042 584851240 /nfs/dbraw/zinc/85/12/40/584851240.db2.gz PJGCPXGSTJQYQQ-QMMMGPOBSA-N -1 3 234.263 0.601 20 0 BCADHM C[C@@H]1CC[C@@H](CCC(=O)[N-]c2nnnn2C)O1 ZINC000904198879 584851274 /nfs/dbraw/zinc/85/12/74/584851274.db2.gz KTWPQFXJGMWPRS-SFYZADRCSA-N -1 3 239.279 0.496 20 0 BCADHM C[C@H]1COCC[C@H]1C(=O)[N-]OCC(C)(C)O ZINC000834621984 584914030 /nfs/dbraw/zinc/91/40/30/584914030.db2.gz NXPPMVQQELBSOP-DTWKUNHWSA-N -1 3 231.292 0.478 20 0 BCADHM Cc1c(CC(=O)[N-]OCC(C)(C)O)cnn1C ZINC000834618430 584914056 /nfs/dbraw/zinc/91/40/56/584914056.db2.gz OWSNVMJTNWLJSI-UHFFFAOYSA-N -1 3 241.291 0.090 20 0 BCADHM O=C(OC[C@H]1CCOC1)c1cncc([O-])c1 ZINC000732392209 584936556 /nfs/dbraw/zinc/93/65/56/584936556.db2.gz DQKREDSYRSTUNR-QMMMGPOBSA-N -1 3 223.228 0.981 20 0 BCADHM O=C(O[C@@H]1CCOC1=O)c1cncc([O-])c1 ZINC000732394310 584936648 /nfs/dbraw/zinc/93/66/48/584936648.db2.gz KUFANXXNSFQDDR-MRVPVSSYSA-N -1 3 223.184 0.260 20 0 BCADHM O=C(OCCn1cncn1)c1cncc([O-])c1 ZINC000732394016 584936667 /nfs/dbraw/zinc/93/66/67/584936667.db2.gz IGORRNSUHHZRFC-UHFFFAOYSA-N -1 3 234.215 0.236 20 0 BCADHM CC(=O)NCCCOC(=O)c1cncc([O-])c1 ZINC000732394774 584936776 /nfs/dbraw/zinc/93/67/76/584936776.db2.gz UTPWLTALELULQC-UHFFFAOYSA-N -1 3 238.243 0.470 20 0 BCADHM Cc1ccc(C(=O)N[C@]2(C)CCNC2=O)c([O-])c1 ZINC000889034321 584944142 /nfs/dbraw/zinc/94/41/42/584944142.db2.gz SYLPDHQHTMASRS-CYBMUJFWSA-N -1 3 248.282 0.709 20 0 BCADHM CC(C)[C@H](C)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000735700382 584981222 /nfs/dbraw/zinc/98/12/22/584981222.db2.gz GAOLLAVGJUQRDE-LURJTMIESA-N -1 3 249.278 0.578 20 0 BCADHM CC(C)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735888604 584983683 /nfs/dbraw/zinc/98/36/83/584983683.db2.gz ODDLUIGDGXCUJG-UHFFFAOYSA-N -1 3 232.247 0.400 20 0 BCADHM CC(C)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735888604 584983684 /nfs/dbraw/zinc/98/36/84/584983684.db2.gz ODDLUIGDGXCUJG-UHFFFAOYSA-N -1 3 232.247 0.400 20 0 BCADHM C[C@@H]1C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736235522 584993419 /nfs/dbraw/zinc/99/34/19/584993419.db2.gz GACOMKVJYUBULI-MUWHJKNJSA-N -1 3 244.258 0.400 20 0 BCADHM C[C@@H]1C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736235522 584993420 /nfs/dbraw/zinc/99/34/20/584993420.db2.gz GACOMKVJYUBULI-MUWHJKNJSA-N -1 3 244.258 0.400 20 0 BCADHM CC(C)[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N(C)C ZINC000736346843 584998333 /nfs/dbraw/zinc/99/83/33/584998333.db2.gz AEJHYBKMUJTCPM-UWVGGRQHSA-N -1 3 242.319 0.506 20 0 BCADHM CC(C)[C@@H](C(=O)NCCCCC(=O)[O-])N(C)C ZINC000736347783 584998486 /nfs/dbraw/zinc/99/84/86/584998486.db2.gz MFIGPBBGZSXWLL-NSHDSACASA-N -1 3 244.335 0.944 20 0 BCADHM CCC[C@H](C)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000736425620 585001444 /nfs/dbraw/zinc/00/14/44/585001444.db2.gz VWCPAMNBMXDBSA-LURJTMIESA-N -1 3 249.278 0.722 20 0 BCADHM CC(C)N(CC(=O)[O-])Cc1cc(=O)c(O)co1 ZINC000736455235 585002810 /nfs/dbraw/zinc/00/28/10/585002810.db2.gz WRYIZQITFZJYEQ-UHFFFAOYSA-N -1 3 241.243 0.640 20 0 BCADHM CC(C)N(C)CC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000736455504 585002843 /nfs/dbraw/zinc/00/28/43/585002843.db2.gz STMWULUPOAAIJP-GFCCVEGCSA-N -1 3 242.319 0.696 20 0 BCADHM CC(C)[C@H](C(=O)N(C)C[C@H](C)C(=O)[O-])N(C)C ZINC000736571186 585006495 /nfs/dbraw/zinc/00/64/95/585006495.db2.gz HRZSEDMQCVQLDJ-VHSXEESVSA-N -1 3 244.335 0.752 20 0 BCADHM C[C@@H]1CC[C@H](C)N1CC(=O)NC(C)(C)C(=O)[O-] ZINC000736761470 585011574 /nfs/dbraw/zinc/01/15/74/585011574.db2.gz JOKASIGZJFOBSD-DTORHVGOSA-N -1 3 242.319 0.839 20 0 BCADHM Cc1cc(CCC(=O)[N-]OCCN(C)C)no1 ZINC000820995987 585015144 /nfs/dbraw/zinc/01/51/44/585015144.db2.gz AAAJRYMRPCOKPT-UHFFFAOYSA-N -1 3 241.291 0.525 20 0 BCADHM CN(c1ncccc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC000736844590 585017289 /nfs/dbraw/zinc/01/72/89/585017289.db2.gz WEBDJLXEVNFACY-MRVPVSSYSA-N -1 3 246.274 0.487 20 0 BCADHM CN(c1ncccc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000736844590 585017290 /nfs/dbraw/zinc/01/72/90/585017290.db2.gz WEBDJLXEVNFACY-MRVPVSSYSA-N -1 3 246.274 0.487 20 0 BCADHM CN(c1ccc(-c2nnn[n-]2)cn1)[C@H]1CCOC1 ZINC000736842043 585017385 /nfs/dbraw/zinc/01/73/85/585017385.db2.gz MJVGBBLUIQFAGJ-VIFPVBQESA-N -1 3 246.274 0.487 20 0 BCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@H]1CCOC1 ZINC000736842043 585017386 /nfs/dbraw/zinc/01/73/86/585017386.db2.gz MJVGBBLUIQFAGJ-VIFPVBQESA-N -1 3 246.274 0.487 20 0 BCADHM CC[C@@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC000736940731 585019578 /nfs/dbraw/zinc/01/95/78/585019578.db2.gz HITONUHVCVYIJK-SNVBAGLBSA-N -1 3 242.319 0.842 20 0 BCADHM CC[C@@H]1CCCN1CC(=O)NCCC(=O)[O-] ZINC000736941664 585019687 /nfs/dbraw/zinc/01/96/87/585019687.db2.gz ZZAOFNLIPLJPOK-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM CCN(C)C(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737068214 585024669 /nfs/dbraw/zinc/02/46/69/585024669.db2.gz UHFVVSKYARMWEJ-UHFFFAOYSA-N -1 3 242.319 0.842 20 0 BCADHM CCN(CCC(=O)[O-])C(=O)[C@@H](C(C)C)N(C)C ZINC000737094418 585025566 /nfs/dbraw/zinc/02/55/66/585025566.db2.gz WJCFMOMFETZLCR-LLVKDONJSA-N -1 3 244.335 0.896 20 0 BCADHM CCOCCN1CCN([C@@H](C)C(=O)[O-])C[C@H]1C ZINC000737175698 585026860 /nfs/dbraw/zinc/02/68/60/585026860.db2.gz BLOYSRYYNIXVGV-MNOVXSKESA-N -1 3 244.335 0.502 20 0 BCADHM CCOCCN1CCN([C@@H](C)C(=O)[O-])C[C@@H]1C ZINC000737175700 585026907 /nfs/dbraw/zinc/02/69/07/585026907.db2.gz BLOYSRYYNIXVGV-QWRGUYRKSA-N -1 3 244.335 0.502 20 0 BCADHM CN1CCC[C@@H](NC(=O)CCCNC(=O)[O-])C1 ZINC000737521130 585034807 /nfs/dbraw/zinc/03/48/07/585034807.db2.gz NIEQBGICSDVNII-SECBINFHSA-N -1 3 243.307 0.245 20 0 BCADHM CN1CCC[C@H]1CNC(=O)C(C)(C)NC(=O)[O-] ZINC000737522831 585035163 /nfs/dbraw/zinc/03/51/63/585035163.db2.gz QKAQZYZKRMUTSU-QMMMGPOBSA-N -1 3 243.307 0.243 20 0 BCADHM CC=CC(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000737858412 585039017 /nfs/dbraw/zinc/03/90/17/585039017.db2.gz GQHYLVGLJQJDMZ-ARJAWSKDSA-N -1 3 224.220 0.035 20 0 BCADHM CC=CC(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000737858412 585039018 /nfs/dbraw/zinc/03/90/18/585039018.db2.gz GQHYLVGLJQJDMZ-ARJAWSKDSA-N -1 3 224.220 0.035 20 0 BCADHM C/C=C\C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000737858412 585039019 /nfs/dbraw/zinc/03/90/19/585039019.db2.gz GQHYLVGLJQJDMZ-ARJAWSKDSA-N -1 3 224.220 0.035 20 0 BCADHM COc1ccnc(CN(C)CCC(=O)[O-])c1 ZINC000738126689 585041086 /nfs/dbraw/zinc/04/10/86/585041086.db2.gz ITPRGKKROIJYMM-UHFFFAOYSA-N -1 3 224.260 0.997 20 0 BCADHM C[Si](C)(C)CN1CCO[C@@H](C(=O)[O-])C1 ZINC000738149142 585041397 /nfs/dbraw/zinc/04/13/97/585041397.db2.gz NBHADJKTNKMQHE-MRVPVSSYSA-N -1 3 217.341 0.649 20 0 BCADHM O=C(OCC1CC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738218012 585041700 /nfs/dbraw/zinc/04/17/00/585041700.db2.gz CUOPAUBQIPEHKQ-UHFFFAOYSA-N -1 3 245.242 0.829 20 0 BCADHM O=C(OCC1CC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738218012 585041701 /nfs/dbraw/zinc/04/17/01/585041701.db2.gz CUOPAUBQIPEHKQ-UHFFFAOYSA-N -1 3 245.242 0.829 20 0 BCADHM O=C(COC(=O)c1ccc([O-])cc1)NC1CC1 ZINC000003507985 585045862 /nfs/dbraw/zinc/04/58/62/585045862.db2.gz JVFVRRUJDAQPBX-UHFFFAOYSA-N -1 3 235.239 0.828 20 0 BCADHM CC(=O)CCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788120938 585077872 /nfs/dbraw/zinc/07/78/72/585077872.db2.gz YTJIFDDRZBVNND-SECBINFHSA-N -1 3 215.249 0.440 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)[C@@H]1CCSC1 ZINC000788121305 585078368 /nfs/dbraw/zinc/07/83/68/585078368.db2.gz IMGNOYGOQIBRBG-DTWKUNHWSA-N -1 3 231.317 0.824 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1C[C@]12CCOC2 ZINC000788124193 585080562 /nfs/dbraw/zinc/08/05/62/585080562.db2.gz VYWBJRZTCSCLSP-SCVCMEIPSA-N -1 3 241.287 0.497 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@H](F)C(C)C ZINC000839448279 585104224 /nfs/dbraw/zinc/10/42/24/585104224.db2.gz QJIRKRMGKHNCFG-RXMQYKEDSA-N -1 3 243.242 0.097 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@H](F)C(C)C ZINC000839448279 585104225 /nfs/dbraw/zinc/10/42/25/585104225.db2.gz QJIRKRMGKHNCFG-RXMQYKEDSA-N -1 3 243.242 0.097 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@H](F)C(C)C ZINC000839448279 585104226 /nfs/dbraw/zinc/10/42/26/585104226.db2.gz QJIRKRMGKHNCFG-RXMQYKEDSA-N -1 3 243.242 0.097 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C=C(C)C ZINC000839448491 585104254 /nfs/dbraw/zinc/10/42/54/585104254.db2.gz UIJKEOAUCULMGK-UHFFFAOYSA-N -1 3 223.236 0.069 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C=C(C)C ZINC000839448491 585104255 /nfs/dbraw/zinc/10/42/55/585104255.db2.gz UIJKEOAUCULMGK-UHFFFAOYSA-N -1 3 223.236 0.069 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C=C(C)C ZINC000839448491 585104256 /nfs/dbraw/zinc/10/42/56/585104256.db2.gz UIJKEOAUCULMGK-UHFFFAOYSA-N -1 3 223.236 0.069 20 0 BCADHM CC[C@@H](C)CS(=O)(=O)[N-]Cc1nonc1C ZINC000742326125 585124582 /nfs/dbraw/zinc/12/45/82/585124582.db2.gz YZMBUSWZLHQBBN-SSDOTTSWSA-N -1 3 247.320 0.844 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CC1CCC1 ZINC000788224781 585142009 /nfs/dbraw/zinc/14/20/09/585142009.db2.gz SLNLFLPKYQFRLY-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM O=C(OCCF)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000744967038 585154819 /nfs/dbraw/zinc/15/48/19/585154819.db2.gz JNPVFMQAOJWILO-UHFFFAOYSA-N -1 3 237.186 0.697 20 0 BCADHM Cc1csc(N(C)C(=O)c2nnc[n-]2)n1 ZINC000746175560 585164752 /nfs/dbraw/zinc/16/47/52/585164752.db2.gz ZNNBKERBKCHKKL-UHFFFAOYSA-N -1 3 223.261 0.846 20 0 BCADHM Cc1csc(N(C)C(=O)c2ncn[n-]2)n1 ZINC000746175560 585164753 /nfs/dbraw/zinc/16/47/53/585164753.db2.gz ZNNBKERBKCHKKL-UHFFFAOYSA-N -1 3 223.261 0.846 20 0 BCADHM Cc1csc(N(C)C(=O)c2nc[n-]n2)n1 ZINC000746175560 585164754 /nfs/dbraw/zinc/16/47/54/585164754.db2.gz ZNNBKERBKCHKKL-UHFFFAOYSA-N -1 3 223.261 0.846 20 0 BCADHM COC(=O)c1cc(CO[N-]C(C)=O)c(C)o1 ZINC000747859335 585185219 /nfs/dbraw/zinc/18/52/19/585185219.db2.gz PQRKXVVTVXFURX-UHFFFAOYSA-N -1 3 227.216 0.942 20 0 BCADHM Cc1nonc1C[N-]S(=O)(=O)CC1CC1 ZINC000748065818 585186828 /nfs/dbraw/zinc/18/68/28/585186828.db2.gz MKVCGVKCZPXQJI-UHFFFAOYSA-N -1 3 231.277 0.207 20 0 BCADHM CCCNC(=O)CCCC(=O)[N-]OCCOC ZINC000748772365 585195605 /nfs/dbraw/zinc/19/56/05/585195605.db2.gz FCPVHJZIHKNIAF-UHFFFAOYSA-N -1 3 246.307 0.377 20 0 BCADHM CC[C@@H](C(=O)[N-]OCCOC)N(CC)CC ZINC000748773030 585195630 /nfs/dbraw/zinc/19/56/30/585195630.db2.gz VURDBULBZRXTAR-JTQLQIEISA-N -1 3 232.324 0.801 20 0 BCADHM CCN1CCCC[C@H]1C(=O)[N-]OCCOC ZINC000748770107 585195646 /nfs/dbraw/zinc/19/56/46/585195646.db2.gz RDKIENKPTPZZBN-JTQLQIEISA-N -1 3 230.308 0.555 20 0 BCADHM COCCO[N-]C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000748773437 585195735 /nfs/dbraw/zinc/19/57/35/585195735.db2.gz CSMFSDKDMVKXFH-AOOOYVTPSA-N -1 3 230.308 0.553 20 0 BCADHM COCCON=C([O-])Nc1nc(C)c(C)o1 ZINC000749016983 585198243 /nfs/dbraw/zinc/19/82/43/585198243.db2.gz NNUJCLZRCWVVAA-UHFFFAOYSA-N -1 3 229.236 0.991 20 0 BCADHM COCCO[N-]C(=O)Nc1nc(C)c(C)o1 ZINC000749016983 585198244 /nfs/dbraw/zinc/19/82/44/585198244.db2.gz NNUJCLZRCWVVAA-UHFFFAOYSA-N -1 3 229.236 0.991 20 0 BCADHM O=C([N-]O[C@H]1CCCCO1)C1CCOCC1 ZINC000749622439 585204631 /nfs/dbraw/zinc/20/46/31/585204631.db2.gz DKWQSWLFUQGQBR-JTQLQIEISA-N -1 3 229.276 0.987 20 0 BCADHM C[C@H](OC(=O)c1ccc(F)cc1[O-])C(N)=O ZINC000750145870 585211147 /nfs/dbraw/zinc/21/11/47/585211147.db2.gz KIIVJUZOMBWNSC-YFKPBYRVSA-N -1 3 227.191 0.562 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC000750722564 585218716 /nfs/dbraw/zinc/21/87/16/585218716.db2.gz RJTRINLHQRQONU-QMMMGPOBSA-N -1 3 224.264 0.217 20 0 BCADHM COC(=O)CCNC(=O)c1ccc(N)cc1[O-] ZINC000751436395 585230489 /nfs/dbraw/zinc/23/04/89/585230489.db2.gz XFRXQSNAKYGXCV-UHFFFAOYSA-N -1 3 238.243 0.267 20 0 BCADHM CCCCCOC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000751562089 585232684 /nfs/dbraw/zinc/23/26/84/585232684.db2.gz AXBFXPOYEGKKIE-ZETCQYMHSA-N -1 3 228.248 0.318 20 0 BCADHM CC[C@H](C)COC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000751568735 585233125 /nfs/dbraw/zinc/23/31/25/585233125.db2.gz NRDJNTJLMMSMSF-BQBZGAKWSA-N -1 3 228.248 0.174 20 0 BCADHM CCO[C@H](C)c1noc(CO[N-]C(C)=O)n1 ZINC000753119399 585253892 /nfs/dbraw/zinc/25/38/92/585253892.db2.gz ULNKKJJQCLPQDV-ZCFIWIBFSA-N -1 3 229.236 0.735 20 0 BCADHM CC(=O)[N-]OCc1nc(CC(F)(F)F)no1 ZINC000753119388 585253935 /nfs/dbraw/zinc/25/39/35/585253935.db2.gz SWSZCQNPDGWPTP-UHFFFAOYSA-N -1 3 239.153 0.742 20 0 BCADHM CCN1CCCC[C@@H]1C(=O)[N-]OCCCOC ZINC000805036698 585256523 /nfs/dbraw/zinc/25/65/23/585256523.db2.gz COATXUQSHYPVPO-LLVKDONJSA-N -1 3 244.335 0.945 20 0 BCADHM CC[C@@H](C(=O)[N-]OCCCOC)N(C)C ZINC000805038525 585256862 /nfs/dbraw/zinc/25/68/62/585256862.db2.gz KBIBBJPPHWNUIO-VIFPVBQESA-N -1 3 218.297 0.411 20 0 BCADHM COCCCO[N-]C(=O)CCCn1cncn1 ZINC000805038622 585256953 /nfs/dbraw/zinc/25/69/53/585256953.db2.gz ATGYCCMTLUBNAC-UHFFFAOYSA-N -1 3 242.279 0.143 20 0 BCADHM CCCNC(=O)CCC(=O)[N-]OCCCOC ZINC000805045783 585265209 /nfs/dbraw/zinc/26/52/09/585265209.db2.gz YBKSYVMCGQTNMW-UHFFFAOYSA-N -1 3 246.307 0.377 20 0 BCADHM Cc1cc(=O)[n-]c(CN2CCOC[C@H](C)C2)n1 ZINC000754381821 585283931 /nfs/dbraw/zinc/28/39/31/585283931.db2.gz VIRKBPRVUPDZOA-SECBINFHSA-N -1 3 237.303 0.959 20 0 BCADHM Cn1ncnc1COC(=O)c1ccc([O-])cc1O ZINC000754486924 585285159 /nfs/dbraw/zinc/28/51/59/585285159.db2.gz ZZHINGICVVVBNP-UHFFFAOYSA-N -1 3 249.226 0.583 20 0 BCADHM Cn1ccc(COC(=O)c2cncc([O-])c2)n1 ZINC000754814430 585290742 /nfs/dbraw/zinc/29/07/42/585290742.db2.gz DNJILRPOAQRCNW-UHFFFAOYSA-N -1 3 233.227 0.878 20 0 BCADHM Cc1cc(=O)[n-]c(CN2CCOC[C@@H]2C)n1 ZINC000754797030 585291083 /nfs/dbraw/zinc/29/10/83/585291083.db2.gz AJQSSGXHTNRJIE-VIFPVBQESA-N -1 3 223.276 0.711 20 0 BCADHM C[C@@]1(C(=O)[N-]C2=NCCS2)CCCO1 ZINC000755067248 585294273 /nfs/dbraw/zinc/29/42/73/585294273.db2.gz YPDOCBYZKCCKIX-VIFPVBQESA-N -1 3 214.290 0.775 20 0 BCADHM O=C(c1nnc[n-]1)N1CCc2ccncc21 ZINC000756004810 585312920 /nfs/dbraw/zinc/31/29/20/585312920.db2.gz CVOATMVGGVCFJA-UHFFFAOYSA-N -1 3 215.216 0.403 20 0 BCADHM O=C(c1nc[n-]n1)N1CCc2ccncc21 ZINC000756004810 585312921 /nfs/dbraw/zinc/31/29/21/585312921.db2.gz CVOATMVGGVCFJA-UHFFFAOYSA-N -1 3 215.216 0.403 20 0 BCADHM CC(C)n1cc(NC([O-])=NOCC(N)=O)cn1 ZINC000756826231 585323989 /nfs/dbraw/zinc/32/39/89/585323989.db2.gz DDWGWXTWNNBSOT-UHFFFAOYSA-N -1 3 241.251 0.002 20 0 BCADHM CC(C)n1cc(NC(=O)[N-]OCC(N)=O)cn1 ZINC000756826231 585323990 /nfs/dbraw/zinc/32/39/90/585323990.db2.gz DDWGWXTWNNBSOT-UHFFFAOYSA-N -1 3 241.251 0.002 20 0 BCADHM COC(=O)COC(=O)c1ccc([O-])c(OC)c1 ZINC000757096896 585328319 /nfs/dbraw/zinc/32/83/19/585328319.db2.gz SYKGFCMJJGWAGM-UHFFFAOYSA-N -1 3 240.211 0.731 20 0 BCADHM O=S(=O)([N-][C@@H](CO)C1CC1)c1ccccn1 ZINC000758323346 585353856 /nfs/dbraw/zinc/35/38/56/585353856.db2.gz JXZXYCOOEHTGRT-VIFPVBQESA-N -1 3 242.300 0.131 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000758467154 585356271 /nfs/dbraw/zinc/35/62/71/585356271.db2.gz QFMAFWCFYFLGGN-WCBMZHEXSA-N -1 3 245.275 0.760 20 0 BCADHM Cc1cc([O-])ccc1C(=O)OCC(N)=O ZINC000758530725 585356762 /nfs/dbraw/zinc/35/67/62/585356762.db2.gz JFNKLBJGCJPVIH-UHFFFAOYSA-N -1 3 209.201 0.343 20 0 BCADHM CS(=O)(=O)CCCC(=O)[N-]OCC(F)F ZINC000759322619 585367078 /nfs/dbraw/zinc/36/70/78/585367078.db2.gz JAYVTOVLANMAKW-UHFFFAOYSA-N -1 3 245.247 0.124 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]OCC(F)F ZINC000759350984 585370860 /nfs/dbraw/zinc/37/08/60/585370860.db2.gz JPHQYMTUDSRSMJ-RXMQYKEDSA-N -1 3 225.191 0.499 20 0 BCADHM CCON=C([O-])Nc1ccn(CCCOC)n1 ZINC000759985998 585383581 /nfs/dbraw/zinc/38/35/81/585383581.db2.gz GGDXSJMZDHTATJ-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM CCO[N-]C(=O)Nc1ccn(CCCOC)n1 ZINC000759985998 585383582 /nfs/dbraw/zinc/38/35/82/585383582.db2.gz GGDXSJMZDHTATJ-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM [O-]C(=NOCC(F)F)Nc1cccnn1 ZINC000759987504 585383734 /nfs/dbraw/zinc/38/37/34/585383734.db2.gz WJNFRNDJKNGKFJ-UHFFFAOYSA-N -1 3 218.163 0.795 20 0 BCADHM O=C([N-]OCC(F)F)Nc1cccnn1 ZINC000759987504 585383735 /nfs/dbraw/zinc/38/37/35/585383735.db2.gz WJNFRNDJKNGKFJ-UHFFFAOYSA-N -1 3 218.163 0.795 20 0 BCADHM Cc1nonc1C(=O)[N-]c1nc2cc[nH]cc-2n1 ZINC000760705146 585395780 /nfs/dbraw/zinc/39/57/80/585395780.db2.gz OQIKOEZEBQKURL-UHFFFAOYSA-N -1 3 244.214 0.902 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1ccc[nH]1 ZINC000760958067 585402601 /nfs/dbraw/zinc/40/26/01/585402601.db2.gz LHMSMAJEYYGROD-ZCFIWIBFSA-N -1 3 205.221 0.624 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1ccc[nH]1 ZINC000760958067 585402602 /nfs/dbraw/zinc/40/26/02/585402602.db2.gz LHMSMAJEYYGROD-ZCFIWIBFSA-N -1 3 205.221 0.624 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1ccc[nH]1 ZINC000760958067 585402603 /nfs/dbraw/zinc/40/26/03/585402603.db2.gz LHMSMAJEYYGROD-ZCFIWIBFSA-N -1 3 205.221 0.624 20 0 BCADHM Cn1cc(CO[N-]C(=O)C(C)(C)C)nn1 ZINC000761309943 585413533 /nfs/dbraw/zinc/41/35/33/585413533.db2.gz OFNSPJZOOAWIND-UHFFFAOYSA-N -1 3 212.253 0.409 20 0 BCADHM COC(=O)CSCc1nc(C)cc(=O)[n-]1 ZINC000761860860 585420744 /nfs/dbraw/zinc/42/07/44/585420744.db2.gz CSPAMRXIAQXDGR-UHFFFAOYSA-N -1 3 228.273 0.897 20 0 BCADHM COCCC(=O)COC(=O)c1cncc([O-])c1 ZINC000761947130 585423067 /nfs/dbraw/zinc/42/30/67/585423067.db2.gz HSLPBNNTZXISII-UHFFFAOYSA-N -1 3 239.227 0.550 20 0 BCADHM O=C(NN1CCCC1=O)c1cccc([O-])c1 ZINC000762638498 585434975 /nfs/dbraw/zinc/43/49/75/585434975.db2.gz ATPDNBAEZVPSBA-UHFFFAOYSA-N -1 3 220.228 0.659 20 0 BCADHM Cc1ccc(CO)cc1NC(=O)c1nc[n-]n1 ZINC000763031088 585441984 /nfs/dbraw/zinc/44/19/84/585441984.db2.gz CPFNMTVYBNWHSZ-UHFFFAOYSA-N -1 3 232.243 0.858 20 0 BCADHM Cc1cc(=O)[n-]c(CS[C@H](C)C(N)=O)n1 ZINC000763207538 585444407 /nfs/dbraw/zinc/44/44/07/585444407.db2.gz AZMLHYWKMQVQAI-ZCFIWIBFSA-N -1 3 227.289 0.598 20 0 BCADHM O=C([N-]Cc1cocn1)C(F)(F)C1(O)CCC1 ZINC000764187520 585461385 /nfs/dbraw/zinc/46/13/85/585461385.db2.gz KTZMQTYCAQZKKO-UHFFFAOYSA-N -1 3 246.213 0.841 20 0 BCADHM O=C([N-]CC(F)F)C(F)(F)C1(O)CCC1 ZINC000764468295 585466029 /nfs/dbraw/zinc/46/60/29/585466029.db2.gz ZRMWACJDONDXIV-UHFFFAOYSA-N -1 3 229.173 0.918 20 0 BCADHM COc1ccccc1CC(=O)[N-]OCCO ZINC000768161381 585533260 /nfs/dbraw/zinc/53/32/60/585533260.db2.gz JDGAPKCOMNGPJS-UHFFFAOYSA-N -1 3 225.244 0.278 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NCC1(CO)CC1 ZINC000770504918 585575341 /nfs/dbraw/zinc/57/53/41/585575341.db2.gz JKKIWAVFEWHEGV-UPHRSURJSA-N -1 3 248.282 0.689 20 0 BCADHM CCOc1ncccc1C(=O)[N-]N1CCCC1=O ZINC000770544698 585576201 /nfs/dbraw/zinc/57/62/01/585576201.db2.gz HHLLXVNOOLCSEG-UHFFFAOYSA-N -1 3 249.270 0.748 20 0 BCADHM CCC[C@@](C)(O)C(=O)[N-]C1=NCCS1 ZINC000770744705 585581290 /nfs/dbraw/zinc/58/12/90/585581290.db2.gz CYTDCMNUJSDFAV-SECBINFHSA-N -1 3 216.306 0.757 20 0 BCADHM CCOCCON=C([O-])Nc1ccncn1 ZINC000770763044 585581380 /nfs/dbraw/zinc/58/13/80/585581380.db2.gz LTFJNPPWOCLLKL-UHFFFAOYSA-N -1 3 226.236 0.566 20 0 BCADHM CCOCCO[N-]C(=O)Nc1ccncn1 ZINC000770763044 585581381 /nfs/dbraw/zinc/58/13/81/585581381.db2.gz LTFJNPPWOCLLKL-UHFFFAOYSA-N -1 3 226.236 0.566 20 0 BCADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccncn1 ZINC000770763475 585581671 /nfs/dbraw/zinc/58/16/71/585581671.db2.gz QJAVVUXDSITNLY-QMMMGPOBSA-N -1 3 238.247 0.566 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccncn1 ZINC000770763475 585581672 /nfs/dbraw/zinc/58/16/72/585581672.db2.gz QJAVVUXDSITNLY-QMMMGPOBSA-N -1 3 238.247 0.566 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H](C(C)C)N(C)C ZINC000772700889 585621150 /nfs/dbraw/zinc/62/11/50/585621150.db2.gz CLLXDEMMNLJRAC-SNVBAGLBSA-N -1 3 232.324 0.657 20 0 BCADHM COC[C@@H](C)CC(=O)[N-]OC1CCOCC1 ZINC000772706741 585621633 /nfs/dbraw/zinc/62/16/33/585621633.db2.gz JCCRRGRBOYOODG-VIFPVBQESA-N -1 3 231.292 0.886 20 0 BCADHM O=C([N-]OC1CCOCC1)C1=COCC1 ZINC000772706428 585621670 /nfs/dbraw/zinc/62/16/70/585621670.db2.gz LDGKZJOELKRWFQ-UHFFFAOYSA-N -1 3 213.233 0.517 20 0 BCADHM CC(C)[C@H](C(=O)[N-]OC1CCOCC1)N(C)C ZINC000772718518 585621992 /nfs/dbraw/zinc/62/19/92/585621992.db2.gz KLSUBRZCUPWVGZ-LLVKDONJSA-N -1 3 244.335 0.799 20 0 BCADHM CCC(CC)(CC)C(=O)[N-]OCC(N)=O ZINC000772935037 585627819 /nfs/dbraw/zinc/62/78/19/585627819.db2.gz BLFLAWSWTFWDAO-UHFFFAOYSA-N -1 3 216.281 0.736 20 0 BCADHM CCO[C@H]1C[C@H]1C(=O)[N-]OC1CCN(C)CC1 ZINC000773547240 585640212 /nfs/dbraw/zinc/64/02/12/585640212.db2.gz QGTIARBCCVDROS-MNOVXSKESA-N -1 3 242.319 0.553 20 0 BCADHM CCO[C@@H](C)C(=O)[N-]OC1CCN(C)CC1 ZINC000773549058 585640216 /nfs/dbraw/zinc/64/02/16/585640216.db2.gz GQFMUDULIXZWJH-VIFPVBQESA-N -1 3 230.308 0.553 20 0 BCADHM O=C(Nc1c[nH]nc1Cl)c1cnn[n-]1 ZINC000774226142 585654599 /nfs/dbraw/zinc/65/45/99/585654599.db2.gz CCRPHFLTYHSHHM-UHFFFAOYSA-N -1 3 212.600 0.434 20 0 BCADHM O=C(Nc1c[nH]nc1Cl)c1c[n-]nn1 ZINC000774226142 585654600 /nfs/dbraw/zinc/65/46/00/585654600.db2.gz CCRPHFLTYHSHHM-UHFFFAOYSA-N -1 3 212.600 0.434 20 0 BCADHM O=C(Nc1c[nH]nc1Cl)c1cn[n-]n1 ZINC000774226142 585654601 /nfs/dbraw/zinc/65/46/01/585654601.db2.gz CCRPHFLTYHSHHM-UHFFFAOYSA-N -1 3 212.600 0.434 20 0 BCADHM COc1ccccc1-c1nc(NC(=O)CO)n[n-]1 ZINC000774386151 585657244 /nfs/dbraw/zinc/65/72/44/585657244.db2.gz NTGMUFAIMCPSES-UHFFFAOYSA-N -1 3 248.242 0.411 20 0 BCADHM CC(C)[C@H](N[C@@H](C)C(=O)[O-])C(=O)N1CCCC1 ZINC000775423397 585677788 /nfs/dbraw/zinc/67/77/88/585677788.db2.gz NIXWZIBKJSTHJD-UWVGGRQHSA-N -1 3 242.319 0.696 20 0 BCADHM CC[C@H](C)C(=O)COC(=O)c1n[n-]nc1C ZINC000805547593 585680880 /nfs/dbraw/zinc/68/08/80/585680880.db2.gz VNIPPUMEUDWSJP-LURJTMIESA-N -1 3 225.248 0.885 20 0 BCADHM CCCOC(=O)[C@H](C)OC(=O)c1n[n-]nc1C ZINC000805547868 585680956 /nfs/dbraw/zinc/68/09/56/585680956.db2.gz LBKRDWXXULDPJR-ZETCQYMHSA-N -1 3 241.247 0.612 20 0 BCADHM Cc1noc(COC(=O)c2n[n-]nc2C)n1 ZINC000805548235 585681362 /nfs/dbraw/zinc/68/13/62/585681362.db2.gz UCYRMTWBPZYDFZ-UHFFFAOYSA-N -1 3 223.192 0.162 20 0 BCADHM CCC(=O)[C@H](C)OC(=O)c1n[n-]nc1C ZINC000805548091 585681364 /nfs/dbraw/zinc/68/13/64/585681364.db2.gz OTMCAJDTOILNSO-LURJTMIESA-N -1 3 211.221 0.638 20 0 BCADHM Cc1ccc([O-])c(CNc2cnn(CCO)c2)n1 ZINC000776252151 585693870 /nfs/dbraw/zinc/69/38/70/585693870.db2.gz IYNCDFBOIIIUMD-UHFFFAOYSA-N -1 3 248.286 0.897 20 0 BCADHM COCc1ccccc1NC([O-])=NOCCO ZINC000776296205 585695106 /nfs/dbraw/zinc/69/51/06/585695106.db2.gz GCXGSXXVXSOEDW-UHFFFAOYSA-N -1 3 240.259 0.878 20 0 BCADHM COCc1ccccc1NC(=O)[N-]OCCO ZINC000776296205 585695107 /nfs/dbraw/zinc/69/51/07/585695107.db2.gz GCXGSXXVXSOEDW-UHFFFAOYSA-N -1 3 240.259 0.878 20 0 BCADHM O=C([N-]C1=NCCS1)c1c[nH]c(=S)[nH]1 ZINC000776326819 585695709 /nfs/dbraw/zinc/69/57/09/585695709.db2.gz CXORACVBYOKOLE-UHFFFAOYSA-N -1 3 228.302 0.531 20 0 BCADHM CCOCCON=C([O-])Nc1ccnc(C)n1 ZINC000776500852 585699476 /nfs/dbraw/zinc/69/94/76/585699476.db2.gz QGCLSFDOAKUKOM-UHFFFAOYSA-N -1 3 240.263 0.875 20 0 BCADHM CCOCCO[N-]C(=O)Nc1ccnc(C)n1 ZINC000776500852 585699477 /nfs/dbraw/zinc/69/94/77/585699477.db2.gz QGCLSFDOAKUKOM-UHFFFAOYSA-N -1 3 240.263 0.875 20 0 BCADHM O=C(CCc1cccs1)[N-]OCCO ZINC000776579851 585700807 /nfs/dbraw/zinc/70/08/07/585700807.db2.gz PTJXKOWDOXETPZ-UHFFFAOYSA-N -1 3 215.274 0.721 20 0 BCADHM O=C(CCCn1cccc1)[N-]OCCO ZINC000776585747 585701840 /nfs/dbraw/zinc/70/18/40/585701840.db2.gz WXCZNJMGQMKYOA-UHFFFAOYSA-N -1 3 212.249 0.308 20 0 BCADHM CC(C)c1nc(COC(=O)c2cnn[n-]2)no1 ZINC000805603683 585727528 /nfs/dbraw/zinc/72/75/28/585727528.db2.gz MTJYGKMDOWZLGY-UHFFFAOYSA-N -1 3 237.219 0.668 20 0 BCADHM CC(C)c1nc(COC(=O)c2c[n-]nn2)no1 ZINC000805603683 585727529 /nfs/dbraw/zinc/72/75/29/585727529.db2.gz MTJYGKMDOWZLGY-UHFFFAOYSA-N -1 3 237.219 0.668 20 0 BCADHM Cc1nnc(COC(=O)c2cnn[n-]2)s1 ZINC000805603143 585727568 /nfs/dbraw/zinc/72/75/68/585727568.db2.gz DLCQBPGBCXISMT-UHFFFAOYSA-N -1 3 225.233 0.322 20 0 BCADHM Cc1nnc(COC(=O)c2c[n-]nn2)s1 ZINC000805603143 585727569 /nfs/dbraw/zinc/72/75/69/585727569.db2.gz DLCQBPGBCXISMT-UHFFFAOYSA-N -1 3 225.233 0.322 20 0 BCADHM O=C(OC[C@H]1CCCOC1)c1cnn[n-]1 ZINC000805603506 585728690 /nfs/dbraw/zinc/72/86/90/585728690.db2.gz OQZSFBIZTKHPAO-ZETCQYMHSA-N -1 3 211.221 0.388 20 0 BCADHM O=C(OC[C@H]1CCCOC1)c1c[n-]nn1 ZINC000805603506 585728691 /nfs/dbraw/zinc/72/86/91/585728691.db2.gz OQZSFBIZTKHPAO-ZETCQYMHSA-N -1 3 211.221 0.388 20 0 BCADHM O=C(COC(=O)c1cnn[n-]1)c1cscn1 ZINC000805603856 585730161 /nfs/dbraw/zinc/73/01/61/585730161.db2.gz QMURNKCPVYJUEH-UHFFFAOYSA-N -1 3 238.228 0.301 20 0 BCADHM O=C(COC(=O)c1c[n-]nn1)c1cscn1 ZINC000805603856 585730162 /nfs/dbraw/zinc/73/01/62/585730162.db2.gz QMURNKCPVYJUEH-UHFFFAOYSA-N -1 3 238.228 0.301 20 0 BCADHM CCc1noc([C@H](C)OC(=O)c2cnn[n-]2)n1 ZINC000805603906 585730261 /nfs/dbraw/zinc/73/02/61/585730261.db2.gz XMEXRICTHLCYAV-YFKPBYRVSA-N -1 3 237.219 0.668 20 0 BCADHM CCc1noc([C@H](C)OC(=O)c2c[n-]nn2)n1 ZINC000805603906 585730262 /nfs/dbraw/zinc/73/02/62/585730262.db2.gz XMEXRICTHLCYAV-YFKPBYRVSA-N -1 3 237.219 0.668 20 0 BCADHM O=C(OC[C@@H]1CCCCO1)c1cnn[n-]1 ZINC000805606608 585733448 /nfs/dbraw/zinc/73/34/48/585733448.db2.gz ZHUSVVCSSBWUIW-ZETCQYMHSA-N -1 3 211.221 0.531 20 0 BCADHM O=C(OC[C@@H]1CCCCO1)c1c[n-]nn1 ZINC000805606608 585733449 /nfs/dbraw/zinc/73/34/49/585733449.db2.gz ZHUSVVCSSBWUIW-ZETCQYMHSA-N -1 3 211.221 0.531 20 0 BCADHM CC[C@H](C)C(=O)COC(=O)c1cnn[n-]1 ZINC000805606755 585734038 /nfs/dbraw/zinc/73/40/38/585734038.db2.gz MMIVRQSAEPVJOT-LURJTMIESA-N -1 3 211.221 0.577 20 0 BCADHM CC[C@H](C)C(=O)COC(=O)c1c[n-]nn1 ZINC000805606755 585734039 /nfs/dbraw/zinc/73/40/39/585734039.db2.gz MMIVRQSAEPVJOT-LURJTMIESA-N -1 3 211.221 0.577 20 0 BCADHM O=C(COC(=O)c1cnn[n-]1)c1cccc(F)c1 ZINC000805607763 585734796 /nfs/dbraw/zinc/73/47/96/585734796.db2.gz PPWWAEQRWFLZIM-UHFFFAOYSA-N -1 3 249.201 0.984 20 0 BCADHM O=C(COC(=O)c1c[n-]nn1)c1cccc(F)c1 ZINC000805607763 585734797 /nfs/dbraw/zinc/73/47/97/585734797.db2.gz PPWWAEQRWFLZIM-UHFFFAOYSA-N -1 3 249.201 0.984 20 0 BCADHM Cc1cc(C(=O)OCC(=O)N(C)C)ccc1[O-] ZINC000778852144 585741645 /nfs/dbraw/zinc/74/16/45/585741645.db2.gz DEWPPYSHLGRTFV-UHFFFAOYSA-N -1 3 237.255 0.946 20 0 BCADHM Cc1cc(C(=O)OCCOCCO)ccc1[O-] ZINC000778853499 585741664 /nfs/dbraw/zinc/74/16/64/585741664.db2.gz MQCSRRFMCQASOT-UHFFFAOYSA-N -1 3 240.255 0.866 20 0 BCADHM COc1nnc(NC(=O)c2ccc(C)cn2)[n-]1 ZINC000778955604 585742533 /nfs/dbraw/zinc/74/25/33/585742533.db2.gz NAECYSIGDSGTQM-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nc(NC(=O)c2ccc(C)cn2)n[n-]1 ZINC000778955604 585742534 /nfs/dbraw/zinc/74/25/34/585742534.db2.gz NAECYSIGDSGTQM-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccc(C)cn2)n1 ZINC000778955604 585742535 /nfs/dbraw/zinc/74/25/35/585742535.db2.gz NAECYSIGDSGTQM-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM Cc1cc(OCC(=O)[N-]c2nncn2C)no1 ZINC000779416013 585754101 /nfs/dbraw/zinc/75/41/01/585754101.db2.gz IMGGYWGWKUHTNB-UHFFFAOYSA-N -1 3 237.219 0.129 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1(c2ccccc2)CC1 ZINC000779467781 585755511 /nfs/dbraw/zinc/75/55/11/585755511.db2.gz VXLNZUHNWYTZCD-UHFFFAOYSA-N -1 3 243.270 0.880 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1Cc2ccccc2O1 ZINC000779465056 585755515 /nfs/dbraw/zinc/75/55/15/585755515.db2.gz FOWICNATMLQXDI-VIFPVBQESA-N -1 3 245.242 0.152 20 0 BCADHM COc1ccccc1CC(=O)[N-]c1nnnn1C ZINC000779466672 585755542 /nfs/dbraw/zinc/75/55/42/585755542.db2.gz GWBBWRUZGCFPQH-UHFFFAOYSA-N -1 3 247.258 0.400 20 0 BCADHM CCC1(C(=O)[N-]c2nnnn2C)CCC1 ZINC000779466498 585755643 /nfs/dbraw/zinc/75/56/43/585755643.db2.gz FCEBNNCPKQTHLB-UHFFFAOYSA-N -1 3 209.253 0.729 20 0 BCADHM Cn1nnnc1[N-]C(=O)COc1ccccc1 ZINC000779466583 585755670 /nfs/dbraw/zinc/75/56/70/585755670.db2.gz GEYMBWMWXALSNM-UHFFFAOYSA-N -1 3 233.231 0.228 20 0 BCADHM C[C@H](Oc1ccccc1)C(=O)[N-]c1nnnn1C ZINC000779467897 585755910 /nfs/dbraw/zinc/75/59/10/585755910.db2.gz ZLHMLBHOYPANRL-QMMMGPOBSA-N -1 3 247.258 0.616 20 0 BCADHM CCO[N-]C(=O)CCCCC(=O)OC ZINC000779589635 585756511 /nfs/dbraw/zinc/75/65/11/585756511.db2.gz GAGASLJKIJNPPJ-UHFFFAOYSA-N -1 3 203.238 0.788 20 0 BCADHM COCCO[N-]C(=O)Cc1ccccc1CO ZINC000779800942 585764733 /nfs/dbraw/zinc/76/47/33/585764733.db2.gz DIZMTMIBQOCQIR-UHFFFAOYSA-N -1 3 239.271 0.416 20 0 BCADHM O=C(NN1CCCC1=O)c1c([O-])cccc1O ZINC000780699787 585783185 /nfs/dbraw/zinc/78/31/85/585783185.db2.gz FEYOCKOFLBVTEZ-UHFFFAOYSA-N -1 3 236.227 0.365 20 0 BCADHM CCCc1cc(C(=O)[N-]N2CCCC2=O)n[nH]1 ZINC000780702399 585783465 /nfs/dbraw/zinc/78/34/65/585783465.db2.gz VZVAPZZEKFGVGW-UHFFFAOYSA-N -1 3 236.275 0.629 20 0 BCADHM CC/C(C)=C(\C)C(=O)[N-]OCC(N)=O ZINC000781014639 585787787 /nfs/dbraw/zinc/78/77/87/585787787.db2.gz QYVFNPZHGDVXMB-VOTSOKGWSA-N -1 3 200.238 0.266 20 0 BCADHM C[C@H](O[N-]C(=O)C(C)(C)C)C(=O)NC1CC1 ZINC000781616066 585800665 /nfs/dbraw/zinc/80/06/65/585800665.db2.gz DMTAGLIHTWCNNF-ZETCQYMHSA-N -1 3 228.292 0.747 20 0 BCADHM CCCn1cc(C(=O)[N-]N2CCCC2=O)cn1 ZINC000782122656 585807835 /nfs/dbraw/zinc/80/78/35/585807835.db2.gz BOCDJLKQBUGVHQ-UHFFFAOYSA-N -1 3 236.275 0.560 20 0 BCADHM C[C@H](C1CC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000782193384 585811538 /nfs/dbraw/zinc/81/15/38/585811538.db2.gz YLZYKHHOGCBHJJ-APPZFPTMSA-N -1 3 223.276 0.021 20 0 BCADHM O=S(=O)([N-][C@@H](CCO)C1CC1)c1ccco1 ZINC000782475783 585818672 /nfs/dbraw/zinc/81/86/72/585818672.db2.gz GLHCMUOSDFEZND-VIFPVBQESA-N -1 3 245.300 0.719 20 0 BCADHM O=S(=O)([N-][C@H](CO)C1CC1)c1ccco1 ZINC000782467046 585818853 /nfs/dbraw/zinc/81/88/53/585818853.db2.gz HTTHVWAGUXRAES-MRVPVSSYSA-N -1 3 231.273 0.329 20 0 BCADHM C[C@H](C(=O)[N-]N1CCCNC1=O)C(F)(F)F ZINC000783605072 585838269 /nfs/dbraw/zinc/83/82/69/585838269.db2.gz VBMIYWJSGUCKSS-RXMQYKEDSA-N -1 3 239.197 0.631 20 0 BCADHM O=C(NOCC(F)F)c1cccc2nn[n-]c21 ZINC000783705400 585840619 /nfs/dbraw/zinc/84/06/19/585840619.db2.gz KNUMPJQHJCFGRD-UHFFFAOYSA-N -1 3 242.185 0.884 20 0 BCADHM O=C(NOCC(F)F)c1cccc2[n-]nnc21 ZINC000783705400 585840620 /nfs/dbraw/zinc/84/06/20/585840620.db2.gz KNUMPJQHJCFGRD-UHFFFAOYSA-N -1 3 242.185 0.884 20 0 BCADHM O=C(NOCC(F)F)c1cccc2n[n-]nc21 ZINC000783705400 585840621 /nfs/dbraw/zinc/84/06/21/585840621.db2.gz KNUMPJQHJCFGRD-UHFFFAOYSA-N -1 3 242.185 0.884 20 0 BCADHM O=C(O[C@H]1CCNC1=O)c1cc2occc2[n-]1 ZINC000786034824 585885930 /nfs/dbraw/zinc/88/59/30/585885930.db2.gz WRCFOJIHKOWJNB-QMMMGPOBSA-N -1 3 234.211 0.806 20 0 BCADHM Cc1[n-]nc(C(C)C)c1C(=O)OCC(N)=O ZINC000786340749 585889992 /nfs/dbraw/zinc/88/99/92/585889992.db2.gz QWYILKRYXQSKHO-UHFFFAOYSA-N -1 3 225.248 0.484 20 0 BCADHM Cc1n[n-]c(C(C)C)c1C(=O)OCC(N)=O ZINC000786340749 585889993 /nfs/dbraw/zinc/88/99/93/585889993.db2.gz QWYILKRYXQSKHO-UHFFFAOYSA-N -1 3 225.248 0.484 20 0 BCADHM O=C([N-]C1=NCCS1)[C@H]1CCCN1C1CC1 ZINC000786733988 585896814 /nfs/dbraw/zinc/89/68/14/585896814.db2.gz DILUXVYGCFVJFD-SECBINFHSA-N -1 3 239.344 0.832 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCC(C)(C)C ZINC000786876012 585898141 /nfs/dbraw/zinc/89/81/41/585898141.db2.gz IGJIUMWNCSBQMB-QMMMGPOBSA-N -1 3 248.348 0.830 20 0 BCADHM Cc1cccc(C(=O)NOCCO)c1[O-] ZINC000787284970 585903918 /nfs/dbraw/zinc/90/39/18/585903918.db2.gz NKNZHLBDMHLHGR-UHFFFAOYSA-N -1 3 211.217 0.354 20 0 BCADHM C[C@H]1CCC[C@@H]1CC(=O)[N-]OCCO ZINC000787281353 585904624 /nfs/dbraw/zinc/90/46/24/585904624.db2.gz BLAHVOJORLPASI-DTWKUNHWSA-N -1 3 201.266 0.853 20 0 BCADHM O=C(/C=C/c1ccccc1F)[N-]OCCO ZINC000787286011 585904820 /nfs/dbraw/zinc/90/48/20/585904820.db2.gz RNISQGRDIRRHJW-AATRIKPKSA-N -1 3 225.219 0.879 20 0 BCADHM COCc1cccc(CC(=O)[N-]OCCO)c1 ZINC000787291347 585905320 /nfs/dbraw/zinc/90/53/20/585905320.db2.gz LVXQWWBXZBFJNJ-UHFFFAOYSA-N -1 3 239.271 0.416 20 0 BCADHM O=C(Cc1cnc2ccccc2c1)[N-]OCCO ZINC000787287386 585905376 /nfs/dbraw/zinc/90/53/76/585905376.db2.gz UCUZFGHWNPOVMS-UHFFFAOYSA-N -1 3 246.266 0.817 20 0 BCADHM C[C@H]1CC[C@@H](CC(=O)[N-]OCCO)C1 ZINC000787290106 585905428 /nfs/dbraw/zinc/90/54/28/585905428.db2.gz BXQLRANQTPTFQB-DTWKUNHWSA-N -1 3 201.266 0.853 20 0 BCADHM CC(=O)CCC(C)(C)C(=O)[N-]OCCO ZINC000787292333 585905669 /nfs/dbraw/zinc/90/56/69/585905669.db2.gz LTWVTFYZJQNKFT-UHFFFAOYSA-N -1 3 217.265 0.422 20 0 BCADHM COc1cc(C(=O)NOCCO)ccc1[O-] ZINC000787295647 585905785 /nfs/dbraw/zinc/90/57/85/585905785.db2.gz XLPRFRGHJZJCFU-UHFFFAOYSA-N -1 3 227.216 0.055 20 0 BCADHM O=C(Cc1ccc2c(c1)COC2)[N-]OCCO ZINC000787295627 585905927 /nfs/dbraw/zinc/90/59/27/585905927.db2.gz WPJLOLMFRJOLCQ-UHFFFAOYSA-N -1 3 237.255 0.299 20 0 BCADHM CCc1cccc(CC(=O)[N-]OCCO)c1 ZINC000787295447 585905941 /nfs/dbraw/zinc/90/59/41/585905941.db2.gz HCDMGWFFXLGMEP-UHFFFAOYSA-N -1 3 223.272 0.832 20 0 BCADHM CC1(C(=O)[N-]OCCO)CCCCC1 ZINC000787297004 585906084 /nfs/dbraw/zinc/90/60/84/585906084.db2.gz RQPGNSZKIAEGPF-UHFFFAOYSA-N -1 3 201.266 0.997 20 0 BCADHM Cc1cc(C[N-]C(=O)C(F)F)ncn1 ZINC000787473177 585909778 /nfs/dbraw/zinc/90/97/78/585909778.db2.gz IQLUGLATOGSZHY-UHFFFAOYSA-N -1 3 201.176 0.666 20 0 BCADHM CCC[C@H]([N-]C(=O)C(F)F)C(=O)OC ZINC000787495839 585910349 /nfs/dbraw/zinc/91/03/49/585910349.db2.gz YHXSWBHBOXOBJH-YFKPBYRVSA-N -1 3 209.192 0.709 20 0 BCADHM CN(C)c1nccc(C[N-]C(=O)C(F)F)n1 ZINC000787493498 585910493 /nfs/dbraw/zinc/91/04/93/585910493.db2.gz JFQPTMZRQWCAGI-UHFFFAOYSA-N -1 3 230.218 0.424 20 0 BCADHM Cn1c(C[N-]C(=O)C(F)F)nnc1C1CCC1 ZINC000787513181 585910867 /nfs/dbraw/zinc/91/08/67/585910867.db2.gz BGDJMTXZNNCRNE-UHFFFAOYSA-N -1 3 244.245 0.964 20 0 BCADHM CC(C)OCCC(=O)[N-]OCC(C)(C)O ZINC000788220387 585919628 /nfs/dbraw/zinc/91/96/28/585919628.db2.gz WOVHFMPDYWMEGC-UHFFFAOYSA-N -1 3 219.281 0.620 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788272578 585920588 /nfs/dbraw/zinc/92/05/88/585920588.db2.gz CIUGEJKQDVDYAH-NXEZZACHSA-N -1 3 228.292 0.165 20 0 BCADHM CCCN(C)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788572038 585927174 /nfs/dbraw/zinc/92/71/74/585927174.db2.gz SDFAOXUEDLWZJY-SNVBAGLBSA-N -1 3 230.308 0.413 20 0 BCADHM C[C@](O)(CC(=O)[N-]OC[C@@H]1CCOC1)C1CC1 ZINC000788570935 585927273 /nfs/dbraw/zinc/92/72/73/585927273.db2.gz BGMGGKSKQXGXPZ-SKDRFNHKSA-N -1 3 243.303 0.622 20 0 BCADHM COc1cccnc1NC(=O)c1n[n-]nc1C ZINC000789919060 585953121 /nfs/dbraw/zinc/95/31/21/585953121.db2.gz GJZDVTNYGHGEMU-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM Cc1n[n-]nc1C(=O)Nc1ccnc2ccnn21 ZINC000789949996 585954458 /nfs/dbraw/zinc/95/44/58/585954458.db2.gz HKZGEWBBXQOWMC-UHFFFAOYSA-N -1 3 243.230 0.408 20 0 BCADHM O=C(Nc1c[nH]nn1)c1cc(F)ccc1[O-] ZINC000790063722 585957237 /nfs/dbraw/zinc/95/72/37/585957237.db2.gz SDGRLFJEXCGRLF-UHFFFAOYSA-N -1 3 222.179 0.902 20 0 BCADHM COCCOC(=O)c1cccc2nn[n-]c21 ZINC000790073668 585957638 /nfs/dbraw/zinc/95/76/38/585957638.db2.gz KCSFEWSDJHLIJG-UHFFFAOYSA-N -1 3 221.216 0.761 20 0 BCADHM COCCOC(=O)c1cccc2[n-]nnc21 ZINC000790073668 585957639 /nfs/dbraw/zinc/95/76/39/585957639.db2.gz KCSFEWSDJHLIJG-UHFFFAOYSA-N -1 3 221.216 0.761 20 0 BCADHM COCCOC(=O)c1cccc2n[n-]nc21 ZINC000790073668 585957640 /nfs/dbraw/zinc/95/76/40/585957640.db2.gz KCSFEWSDJHLIJG-UHFFFAOYSA-N -1 3 221.216 0.761 20 0 BCADHM Cc1csc(NC([O-])=NOCCO)n1 ZINC000790576722 585966478 /nfs/dbraw/zinc/96/64/78/585966478.db2.gz NDWYXADHPASWBT-UHFFFAOYSA-N -1 3 217.250 0.497 20 0 BCADHM Cc1csc(NC(=O)[N-]OCCO)n1 ZINC000790576722 585966479 /nfs/dbraw/zinc/96/64/79/585966479.db2.gz NDWYXADHPASWBT-UHFFFAOYSA-N -1 3 217.250 0.497 20 0 BCADHM COc1cncc(C(=O)[N-]c2ccon2)n1 ZINC000790838318 585970364 /nfs/dbraw/zinc/97/03/64/585970364.db2.gz ITSWAGNVMODIPC-UHFFFAOYSA-N -1 3 220.188 0.726 20 0 BCADHM COC/C=C\C(=O)[N-]O[C@H]1CCCCO1 ZINC000791343862 585978194 /nfs/dbraw/zinc/97/81/94/585978194.db2.gz PPGXXOSMVTZGEG-LWTINBJPSA-N -1 3 215.249 0.763 20 0 BCADHM Cc1nonc1[N-]C(=O)c1nccc(C)n1 ZINC000791552378 585983771 /nfs/dbraw/zinc/98/37/71/585983771.db2.gz RFKSKOBEARXFPB-UHFFFAOYSA-N -1 3 219.204 0.729 20 0 BCADHM C[C@@H](O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000791856162 585989493 /nfs/dbraw/zinc/98/94/93/585989493.db2.gz JVFZATYPVXVRPL-ZCFIWIBFSA-N -1 3 249.222 0.108 20 0 BCADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)OCCCCCF ZINC000792089783 585995715 /nfs/dbraw/zinc/99/57/15/585995715.db2.gz RUBCSIHXLNMZHX-ZETCQYMHSA-N -1 3 246.238 0.268 20 0 BCADHM O=C(N[C@@H](CCO)C1CC1)c1csc(=O)[n-]1 ZINC000792231491 585997923 /nfs/dbraw/zinc/99/79/23/585997923.db2.gz IXUSGLKKMUDRCZ-ZETCQYMHSA-N -1 3 242.300 0.740 20 0 BCADHM COCCON=C([O-])Nc1c(C)noc1C ZINC000792286852 585998834 /nfs/dbraw/zinc/99/88/34/585998834.db2.gz FMYREQNUCCJBJT-UHFFFAOYSA-N -1 3 229.236 0.991 20 0 BCADHM COCCO[N-]C(=O)Nc1c(C)noc1C ZINC000792286852 585998835 /nfs/dbraw/zinc/99/88/35/585998835.db2.gz FMYREQNUCCJBJT-UHFFFAOYSA-N -1 3 229.236 0.991 20 0 BCADHM O=C(N[C@H](CO)C1CC1)c1csc(=O)[n-]1 ZINC000792289251 585999066 /nfs/dbraw/zinc/99/90/66/585999066.db2.gz OCRGLDGTWFTFLB-ZCFIWIBFSA-N -1 3 228.273 0.349 20 0 BCADHM CCc1cc(NC([O-])=NOCCO)no1 ZINC000792311944 585999869 /nfs/dbraw/zinc/99/98/69/585999869.db2.gz BBSDGVWCEKPTNK-UHFFFAOYSA-N -1 3 215.209 0.282 20 0 BCADHM CCc1cc(NC(=O)[N-]OCCO)no1 ZINC000792311944 585999870 /nfs/dbraw/zinc/99/98/70/585999870.db2.gz BBSDGVWCEKPTNK-UHFFFAOYSA-N -1 3 215.209 0.282 20 0 BCADHM CC(C)(C)n1cnc(NC([O-])=NOCCO)n1 ZINC000792358714 585999897 /nfs/dbraw/zinc/99/98/97/585999897.db2.gz AVINVIMVEJAJPN-UHFFFAOYSA-N -1 3 243.267 0.079 20 0 BCADHM CC(C)(C)n1cnc(NC(=O)[N-]OCCO)n1 ZINC000792358714 585999898 /nfs/dbraw/zinc/99/98/98/585999898.db2.gz AVINVIMVEJAJPN-UHFFFAOYSA-N -1 3 243.267 0.079 20 0 BCADHM COCCON=C([O-])Nc1ncccc1OC ZINC000792361053 586000007 /nfs/dbraw/zinc/00/00/07/586000007.db2.gz ZHKWWTVUUSVXHO-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM COCCO[N-]C(=O)Nc1ncccc1OC ZINC000792361053 586000008 /nfs/dbraw/zinc/00/00/08/586000008.db2.gz ZHKWWTVUUSVXHO-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM COCCON=C([O-])Nc1ccnc(C)n1 ZINC000792362944 586000038 /nfs/dbraw/zinc/00/00/38/586000038.db2.gz ZPIIXJHCAJRYSV-UHFFFAOYSA-N -1 3 226.236 0.485 20 0 BCADHM COCCO[N-]C(=O)Nc1ccnc(C)n1 ZINC000792362944 586000039 /nfs/dbraw/zinc/00/00/39/586000039.db2.gz ZPIIXJHCAJRYSV-UHFFFAOYSA-N -1 3 226.236 0.485 20 0 BCADHM Cc1ccc(NC([O-])=NOCCO)nc1 ZINC000792358014 586000081 /nfs/dbraw/zinc/00/00/81/586000081.db2.gz KXHGTVBICQJJJN-UHFFFAOYSA-N -1 3 211.221 0.435 20 0 BCADHM Cc1ccc(NC(=O)[N-]OCCO)nc1 ZINC000792358014 586000082 /nfs/dbraw/zinc/00/00/82/586000082.db2.gz KXHGTVBICQJJJN-UHFFFAOYSA-N -1 3 211.221 0.435 20 0 BCADHM COCCON=C([O-])Nc1cn(C)nc1OC ZINC000792400530 586000108 /nfs/dbraw/zinc/00/01/08/586000108.db2.gz FLSYTFHRNLKQRS-UHFFFAOYSA-N -1 3 244.251 0.128 20 0 BCADHM COCCO[N-]C(=O)Nc1cn(C)nc1OC ZINC000792400530 586000109 /nfs/dbraw/zinc/00/01/09/586000109.db2.gz FLSYTFHRNLKQRS-UHFFFAOYSA-N -1 3 244.251 0.128 20 0 BCADHM CO[N-]C(=O)Cc1ccc2n[nH]cc2c1 ZINC000792960465 586007738 /nfs/dbraw/zinc/00/77/38/586007738.db2.gz OJLZLAHYWLVCMI-UHFFFAOYSA-N -1 3 205.217 0.783 20 0 BCADHM O=C(CCc1c[nH]cn1)[N-]OCC(F)F ZINC000793816868 586027137 /nfs/dbraw/zinc/02/71/37/586027137.db2.gz ZQYHGIIMMYUUHC-UHFFFAOYSA-N -1 3 219.191 0.655 20 0 BCADHM O=C(CCc1cnc[nH]1)[N-]OCC(F)F ZINC000793816868 586027138 /nfs/dbraw/zinc/02/71/38/586027138.db2.gz ZQYHGIIMMYUUHC-UHFFFAOYSA-N -1 3 219.191 0.655 20 0 BCADHM O=C(Cc1ccc2c[nH]nc2c1)[N-]OCCO ZINC000793854022 586027742 /nfs/dbraw/zinc/02/77/42/586027742.db2.gz CATWCDJWMJSBLL-UHFFFAOYSA-N -1 3 235.243 0.146 20 0 BCADHM CO[C@H]1CCC[C@H](CC(=O)[N-]OCCO)C1 ZINC000793854452 586027870 /nfs/dbraw/zinc/02/78/70/586027870.db2.gz IMEFTRMBEPLJLW-UWVGGRQHSA-N -1 3 231.292 0.622 20 0 BCADHM CSCCO[N-]C(=O)CCCCNC(N)=O ZINC000794178487 586034182 /nfs/dbraw/zinc/03/41/82/586034182.db2.gz DVPZSGQEFCLMQS-UHFFFAOYSA-N -1 3 249.336 0.236 20 0 BCADHM CSCCO[N-]C(=O)C1(N(C)C)CCC1 ZINC000794184644 586034417 /nfs/dbraw/zinc/03/44/17/586034417.db2.gz TWZXUPJFEZQROP-UHFFFAOYSA-N -1 3 232.349 0.882 20 0 BCADHM CC(C)(O)CON=C([O-])Nc1ccon1 ZINC000794251279 586035984 /nfs/dbraw/zinc/03/59/84/586035984.db2.gz CXRRWQDGPNZFJH-UHFFFAOYSA-N -1 3 215.209 0.499 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Nc1ccon1 ZINC000794251279 586035985 /nfs/dbraw/zinc/03/59/85/586035985.db2.gz CXRRWQDGPNZFJH-UHFFFAOYSA-N -1 3 215.209 0.499 20 0 BCADHM CCCn1cc([N-]S(=O)(=O)N2CCC2)cn1 ZINC000795331831 586075017 /nfs/dbraw/zinc/07/50/17/586075017.db2.gz HAZSHKPZUGFWRU-UHFFFAOYSA-N -1 3 244.320 0.656 20 0 BCADHM COCC(=O)COC(=O)c1ccc([O-])cc1 ZINC000795341858 586075081 /nfs/dbraw/zinc/07/50/81/586075081.db2.gz LBMJOMXMWVRUIJ-UHFFFAOYSA-N -1 3 224.212 0.765 20 0 BCADHM CC(=O)OCCNC(=O)c1cccc(C)c1[O-] ZINC000798258696 586141942 /nfs/dbraw/zinc/14/19/42/586141942.db2.gz ZECQZQJGCFLMOK-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM COc1ccccc1CONC(=O)c1c[n-]nn1 ZINC000799092505 586156393 /nfs/dbraw/zinc/15/63/93/586156393.db2.gz RWLYGAJQAVRAFW-UHFFFAOYSA-N -1 3 248.242 0.675 20 0 BCADHM COc1ccccc1CONC(=O)c1cnn[n-]1 ZINC000799092505 586156394 /nfs/dbraw/zinc/15/63/94/586156394.db2.gz RWLYGAJQAVRAFW-UHFFFAOYSA-N -1 3 248.242 0.675 20 0 BCADHM COc1ccccc1CONC(=O)c1cn[n-]n1 ZINC000799092505 586156395 /nfs/dbraw/zinc/15/63/95/586156395.db2.gz RWLYGAJQAVRAFW-UHFFFAOYSA-N -1 3 248.242 0.675 20 0 BCADHM Cn1nncc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000799100134 586156529 /nfs/dbraw/zinc/15/65/29/586156529.db2.gz MOGRQABJAQTLOW-UHFFFAOYSA-N -1 3 234.219 0.328 20 0 BCADHM O=C([O-])N[C@H]1CCN([C@@H]2CCOC2)C1 ZINC000116697753 589033083 /nfs/dbraw/zinc/03/30/83/589033083.db2.gz BUIZALKIZOLIGK-JGVFFNPUSA-N -1 3 200.238 0.117 20 0 BCADHM CC(C)(C)CS(=O)(=O)[N-][C@H]1CCOC1=O ZINC000799743407 586195314 /nfs/dbraw/zinc/19/53/14/586195314.db2.gz FCVHDPZFPAUYOM-ZETCQYMHSA-N -1 3 235.305 0.267 20 0 BCADHM O=C(OCCO)c1cc(F)cc2[n-]nnc21 ZINC000800258346 586207513 /nfs/dbraw/zinc/20/75/13/586207513.db2.gz UQRSNBPHRBBAKS-UHFFFAOYSA-N -1 3 225.179 0.246 20 0 BCADHM O=C(OCCO)c1cc(F)cc2nn[n-]c21 ZINC000800258346 586207514 /nfs/dbraw/zinc/20/75/14/586207514.db2.gz UQRSNBPHRBBAKS-UHFFFAOYSA-N -1 3 225.179 0.246 20 0 BCADHM O=C(OCCO)c1cc(F)cc2n[n-]nc21 ZINC000800258346 586207516 /nfs/dbraw/zinc/20/75/16/586207516.db2.gz UQRSNBPHRBBAKS-UHFFFAOYSA-N -1 3 225.179 0.246 20 0 BCADHM COc1ccc(NC(=O)c2cnn(C)n2)c([O-])c1 ZINC000803160975 586336586 /nfs/dbraw/zinc/33/65/86/586336586.db2.gz PTCLJJQJESEJGC-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM C[C@](O)(C(=O)[N-]C1=NCCS1)C1CC1 ZINC000804183903 586385400 /nfs/dbraw/zinc/38/54/00/586385400.db2.gz GHGXBUBLUQVFEH-SECBINFHSA-N -1 3 214.290 0.366 20 0 BCADHM Cc1ccnc(C)c1NC([O-])=NOCC(N)=O ZINC000806537699 586414166 /nfs/dbraw/zinc/41/41/66/586414166.db2.gz TWCMJXGKPGBFJA-UHFFFAOYSA-N -1 3 238.247 0.237 20 0 BCADHM Cc1ccnc(C)c1NC(=O)[N-]OCC(N)=O ZINC000806537699 586414168 /nfs/dbraw/zinc/41/41/68/586414168.db2.gz TWCMJXGKPGBFJA-UHFFFAOYSA-N -1 3 238.247 0.237 20 0 BCADHM COCCO[N-]C(=O)CCc1ncc[nH]1 ZINC000807008057 586422182 /nfs/dbraw/zinc/42/21/82/586422182.db2.gz WCQKHXCVALTYFV-UHFFFAOYSA-N -1 3 213.237 0.037 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCCn2cnnn2)c1 ZINC000807918614 586451451 /nfs/dbraw/zinc/45/14/51/586451451.db2.gz BHFSIJMKFRFELE-UHFFFAOYSA-N -1 3 247.258 0.117 20 0 BCADHM Cc1nonc1C[N-]C(=O)C(C)(F)F ZINC000808463161 586473225 /nfs/dbraw/zinc/47/32/25/586473225.db2.gz UROGTIPAMSQYAS-UHFFFAOYSA-N -1 3 205.164 0.649 20 0 BCADHM CC(F)(F)C(=O)[N-]CC(=O)Nc1cccnc1 ZINC000808460984 586473278 /nfs/dbraw/zinc/47/32/78/586473278.db2.gz UGKWHDOGJUPBFG-UHFFFAOYSA-N -1 3 243.213 0.792 20 0 BCADHM CC(F)(F)C(=O)[N-][C@H]1CCCNC1=O ZINC000808460275 586473325 /nfs/dbraw/zinc/47/33/25/586473325.db2.gz XRCHBBDZKODUQD-YFKPBYRVSA-N -1 3 206.192 0.036 20 0 BCADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1nnnn1C1CC1 ZINC000808466741 586475076 /nfs/dbraw/zinc/47/50/76/586475076.db2.gz PKEZRLPRGGMMBY-RXMQYKEDSA-N -1 3 245.233 0.840 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-][C@H]1C[C@H](C)OC1=O ZINC000809383625 586505112 /nfs/dbraw/zinc/50/51/12/586505112.db2.gz GJEZAMRDDLEUSD-CIUDSAMLSA-N -1 3 249.332 0.656 20 0 BCADHM CC(C)(C)CNC(=O)COC(=O)c1cnn[n-]1 ZINC000859692197 589055281 /nfs/dbraw/zinc/05/52/81/589055281.db2.gz AOQTVWCMOOEIHH-UHFFFAOYSA-N -1 3 240.263 0.124 20 0 BCADHM CC(C)(C)CNC(=O)COC(=O)c1c[n-]nn1 ZINC000859692197 589055282 /nfs/dbraw/zinc/05/52/82/589055282.db2.gz AOQTVWCMOOEIHH-UHFFFAOYSA-N -1 3 240.263 0.124 20 0 BCADHM O=C(OCc1noc(C2CCC2)n1)c1cnn[n-]1 ZINC000859692959 589055341 /nfs/dbraw/zinc/05/53/41/589055341.db2.gz PRROQQQHMZXWFW-UHFFFAOYSA-N -1 3 249.230 0.812 20 0 BCADHM O=C(OCc1noc(C2CCC2)n1)c1c[n-]nn1 ZINC000859692959 589055343 /nfs/dbraw/zinc/05/53/43/589055343.db2.gz PRROQQQHMZXWFW-UHFFFAOYSA-N -1 3 249.230 0.812 20 0 BCADHM Cn1nncc1NC([O-])=NOCc1cccnc1 ZINC000809904656 586523043 /nfs/dbraw/zinc/52/30/43/586523043.db2.gz RWBFMQYYKZBMHI-UHFFFAOYSA-N -1 3 248.246 0.463 20 0 BCADHM Cn1nncc1NC(=O)[N-]OCc1cccnc1 ZINC000809904656 586523045 /nfs/dbraw/zinc/52/30/45/586523045.db2.gz RWBFMQYYKZBMHI-UHFFFAOYSA-N -1 3 248.246 0.463 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-][C@@]1(C)CCOC1=O ZINC000810104688 586534232 /nfs/dbraw/zinc/53/42/32/586534232.db2.gz OHRCCQKDLBOGFR-WPRPVWTQSA-N -1 3 249.332 0.658 20 0 BCADHM CC(C)(C)CS(=O)(=O)[N-][C@]1(C)CCOC1=O ZINC000810103473 586534263 /nfs/dbraw/zinc/53/42/63/586534263.db2.gz PXTDMWVBQDXMHW-SNVBAGLBSA-N -1 3 249.332 0.658 20 0 BCADHM NC(=O)COC(=O)c1c[n-]nc1-c1ccccn1 ZINC000810543514 586540862 /nfs/dbraw/zinc/54/08/62/586540862.db2.gz LOTYCPXZBUZFSY-UHFFFAOYSA-N -1 3 246.226 0.114 20 0 BCADHM CCc1cc(C(=O)O[C@H](C)C(N)=O)ccc1[O-] ZINC000811304869 586557848 /nfs/dbraw/zinc/55/78/48/586557848.db2.gz BRSIPSIWJDQLBN-SSDOTTSWSA-N -1 3 237.255 0.985 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CCOC(C)C ZINC000811562934 586561619 /nfs/dbraw/zinc/56/16/19/586561619.db2.gz NUMKFPAXQLBEOW-UHFFFAOYSA-N -1 3 247.291 0.803 20 0 BCADHM NC(=O)NCCCCC(=O)[N-]OC1CCC1 ZINC000812793025 586585452 /nfs/dbraw/zinc/58/54/52/586585452.db2.gz MEOSHOPUVQYDSM-UHFFFAOYSA-N -1 3 229.280 0.425 20 0 BCADHM O=C([N-]OC1CCC1)[C@H]1CCC(=O)NC1 ZINC000812795194 586586095 /nfs/dbraw/zinc/58/60/95/586586095.db2.gz XNEKLJAAAPEWCU-ZETCQYMHSA-N -1 3 212.249 0.113 20 0 BCADHM CC(C)OCCO[N-]C(=O)Cc1cnn(C)c1 ZINC000812801864 586586357 /nfs/dbraw/zinc/58/63/57/586586357.db2.gz QDPOYLCQDIJCKC-UHFFFAOYSA-N -1 3 241.291 0.435 20 0 BCADHM CC(C)OCCO[N-]C(=O)CCc1ncc[nH]1 ZINC000812807280 586587111 /nfs/dbraw/zinc/58/71/11/586587111.db2.gz IEGHIFLHEZFEOR-UHFFFAOYSA-N -1 3 241.291 0.815 20 0 BCADHM COC(=O)c1cc(-c2nc(N(C)C)no2)c[n-]1 ZINC000814253732 586620838 /nfs/dbraw/zinc/62/08/38/586620838.db2.gz KPUWFKYYYUGGET-UHFFFAOYSA-N -1 3 236.231 0.917 20 0 BCADHM CCC(=O)COC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814531419 586623804 /nfs/dbraw/zinc/62/38/04/586623804.db2.gz DAHDWDASWPOUSR-UHFFFAOYSA-N -1 3 239.227 0.937 20 0 BCADHM O=C([N-]N1CCOC1=O)[C@@H]1CC1(F)F ZINC000862704719 589235344 /nfs/dbraw/zinc/23/53/44/589235344.db2.gz AKWRZDMIMVLNNF-BYPYZUCNSA-N -1 3 206.148 0.125 20 0 BCADHM COC[C@@](C)([N-]C(=O)C(C)(F)F)C(=O)OC ZINC000815782529 586693900 /nfs/dbraw/zinc/69/39/00/586693900.db2.gz OWASJXQJOITNCB-MRVPVSSYSA-N -1 3 239.218 0.336 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1CCCN1C1CC1 ZINC000816381431 586722924 /nfs/dbraw/zinc/72/29/24/586722924.db2.gz MBEVUFYYWHSXAH-SNVBAGLBSA-N -1 3 242.319 0.432 20 0 BCADHM COC1(C(=O)[N-]OC2CCN(C)CC2)CCC1 ZINC000816534239 586739098 /nfs/dbraw/zinc/73/90/98/586739098.db2.gz BWUXAAQOSZAGTI-UHFFFAOYSA-N -1 3 242.319 0.698 20 0 BCADHM CC(C)n1cc(CNC(C)(C)C(=O)[O-])nn1 ZINC000859809355 589062552 /nfs/dbraw/zinc/06/25/52/589062552.db2.gz RMYZNLBGFSISJO-UHFFFAOYSA-N -1 3 226.280 0.812 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000816913963 586771582 /nfs/dbraw/zinc/77/15/82/586771582.db2.gz YTYGNNVHDFHDNJ-JQWIXIFHSA-N -1 3 242.319 0.903 20 0 BCADHM CCNC(=O)CCC(=O)[N-]OC[C@H](C)CC ZINC000816979226 586777598 /nfs/dbraw/zinc/77/75/98/586777598.db2.gz KMQCJXRDIFUKOW-SECBINFHSA-N -1 3 230.308 0.997 20 0 BCADHM Cn1cnc([N-]C(=O)c2cccnc2F)n1 ZINC000817148957 586784053 /nfs/dbraw/zinc/78/40/53/586784053.db2.gz ACBNNTHIAPQVDZ-UHFFFAOYSA-N -1 3 221.195 0.602 20 0 BCADHM Cn1ccc(CCC(=O)[N-]OCC2CC2)n1 ZINC000817324820 586794191 /nfs/dbraw/zinc/79/41/91/586794191.db2.gz PUNJGHYGKXICQF-UHFFFAOYSA-N -1 3 223.276 0.811 20 0 BCADHM CN1CCCC[C@H]1C(=O)[N-]OCC1CC1 ZINC000817330847 586795945 /nfs/dbraw/zinc/79/59/45/586795945.db2.gz RJSPXAGMVDPWIM-JTQLQIEISA-N -1 3 212.293 0.929 20 0 BCADHM NC(=O)N1CCC[C@@H](C(=O)[N-]OCC2CC2)C1 ZINC000817344807 586797658 /nfs/dbraw/zinc/79/76/58/586797658.db2.gz VUDYBHZDZYEOOE-SECBINFHSA-N -1 3 241.291 0.235 20 0 BCADHM C[C@](O)(CC(=O)[N-]OCC1CC1)C1CC1 ZINC000817344386 586798066 /nfs/dbraw/zinc/79/80/66/586798066.db2.gz DEXVULOIVXIROF-NSHDSACASA-N -1 3 213.277 0.995 20 0 BCADHM C[C@@H](NC(=O)C1(N(C)C)CCC1)C(=O)[O-] ZINC000818025711 586865348 /nfs/dbraw/zinc/86/53/48/586865348.db2.gz VSXVGMORODYBSV-SSDOTTSWSA-N -1 3 214.265 0.060 20 0 BCADHM CC[C@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])N(C)C ZINC000818132239 586875772 /nfs/dbraw/zinc/87/57/72/586875772.db2.gz MTOAGRFBDLDRSG-NXEZZACHSA-N -1 3 244.335 0.942 20 0 BCADHM CC[C@H](C(=O)N(C)[C@H](C)C(=O)[O-])N(C)C ZINC000818132291 586876246 /nfs/dbraw/zinc/87/62/46/586876246.db2.gz NYWJRBLEHRNKHZ-HTQZYQBOSA-N -1 3 216.281 0.258 20 0 BCADHM CC[C@@H](NC(=O)[C@H](CC)N(C)C)C(=O)[O-] ZINC000818132189 586876309 /nfs/dbraw/zinc/87/63/09/586876309.db2.gz JWGGRZFJLGVGIF-SFYZADRCSA-N -1 3 216.281 0.306 20 0 BCADHM CC[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)C ZINC000818132346 586876842 /nfs/dbraw/zinc/87/68/42/586876842.db2.gz UIEZHCAHYABHBE-SNVBAGLBSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@@H](N[C@H](C)c1cnccn1)C(=O)[O-] ZINC000818316648 586885673 /nfs/dbraw/zinc/88/56/73/586885673.db2.gz CHDDQIXHCRYFCK-HTQZYQBOSA-N -1 3 209.249 0.990 20 0 BCADHM CN(C)C1(C(=O)NCCC(=O)[O-])CCC1 ZINC000818374250 586889469 /nfs/dbraw/zinc/88/94/69/586889469.db2.gz IRLSLUXMBPDYQL-UHFFFAOYSA-N -1 3 214.265 0.062 20 0 BCADHM CCO[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000819054723 586927656 /nfs/dbraw/zinc/92/76/56/586927656.db2.gz LMCPMJKDOZVECG-UHFFFAOYSA-N -1 3 246.270 0.878 20 0 BCADHM CO[N-]C(=O)Cc1cccc(NC(C)=O)c1 ZINC000819070566 586929242 /nfs/dbraw/zinc/92/92/42/586929242.db2.gz WUCMOHCOQUBDQW-UHFFFAOYSA-N -1 3 222.244 0.865 20 0 BCADHM O=C([O-])CN1CCC[C@H]1COC(=O)C1CC1 ZINC000819513106 586971969 /nfs/dbraw/zinc/97/19/69/586971969.db2.gz FKXYYGFDXKAXGM-VIFPVBQESA-N -1 3 227.260 0.489 20 0 BCADHM CC(=O)N[C@@H](C)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819763513 586990736 /nfs/dbraw/zinc/99/07/36/586990736.db2.gz OWZNKPZVZRVMCC-RITPCOANSA-N -1 3 229.305 0.119 20 0 BCADHM Cc1cnn(CC(=O)[N-]C2=NC[C@H](C)S2)c1 ZINC000819766990 586991431 /nfs/dbraw/zinc/99/14/31/586991431.db2.gz QQRAXHWXDAMOPT-QMMMGPOBSA-N -1 3 238.316 0.799 20 0 BCADHM COCCCOCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819776506 586992520 /nfs/dbraw/zinc/99/25/20/586992520.db2.gz ORADVRHMYCHKKT-MRVPVSSYSA-N -1 3 246.332 0.647 20 0 BCADHM CSCC[C@H](O)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819777346 586993460 /nfs/dbraw/zinc/99/34/60/586993460.db2.gz RFEFMYVJHKVCBP-RQJHMYQMSA-N -1 3 248.373 0.708 20 0 BCADHM CC(C)C[C@H](O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000860092227 589080584 /nfs/dbraw/zinc/08/05/84/589080584.db2.gz JALFSCAZBNKKEG-QMMMGPOBSA-N -1 3 239.275 0.319 20 0 BCADHM CCC=C(C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000819981666 587010887 /nfs/dbraw/zinc/01/08/87/587010887.db2.gz PYTMCGXBKPQDSS-GQCTYLIASA-N -1 3 220.236 0.747 20 0 BCADHM COc1cc([N-]C(=O)c2cccc[n+]2[O-])ccn1 ZINC000819998943 587012020 /nfs/dbraw/zinc/01/20/20/587012020.db2.gz LMXXMKYKINUMBH-UHFFFAOYSA-N -1 3 245.238 0.976 20 0 BCADHM C[C@H](CC(=O)[O-])N[C@@H]1CCCn2ncnc21 ZINC000820079069 587019333 /nfs/dbraw/zinc/01/93/33/587019333.db2.gz RMIUSISGOZUPQO-HTQZYQBOSA-N -1 3 224.264 0.566 20 0 BCADHM CC(C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820097270 587021118 /nfs/dbraw/zinc/02/11/18/587021118.db2.gz MAQDGCWAACOKOH-UHFFFAOYSA-N -1 3 234.263 0.581 20 0 BCADHM CC(C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820097270 587021121 /nfs/dbraw/zinc/02/11/21/587021121.db2.gz MAQDGCWAACOKOH-UHFFFAOYSA-N -1 3 234.263 0.581 20 0 BCADHM C[C@H](NCc1ccnc(N(C)C)n1)C(=O)[O-] ZINC000820148565 587022698 /nfs/dbraw/zinc/02/26/98/587022698.db2.gz PBBYBZMHXZFKFO-ZETCQYMHSA-N -1 3 224.264 0.105 20 0 BCADHM C[C@H](CO)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820280346 587040660 /nfs/dbraw/zinc/04/06/60/587040660.db2.gz DSFHKLLUIWEUGN-SFYZADRCSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@H](CO)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820280346 587040662 /nfs/dbraw/zinc/04/06/62/587040662.db2.gz DSFHKLLUIWEUGN-SFYZADRCSA-N -1 3 248.290 0.691 20 0 BCADHM CC[C@@H]1CN(CC(=O)[O-])CCN1CC(F)F ZINC000820297142 587042446 /nfs/dbraw/zinc/04/24/46/587042446.db2.gz NKYILVAYCFYCON-MRVPVSSYSA-N -1 3 236.262 0.732 20 0 BCADHM CC[C@H](C)[C@H](NCc1nncn1C)C(=O)[O-] ZINC000820468759 587050482 /nfs/dbraw/zinc/05/04/82/587050482.db2.gz CRBGMJKOXVLPSZ-CBAPKCEASA-N -1 3 226.280 0.404 20 0 BCADHM CCc1nc([C@@H](C)N[C@H](C)CC(=O)[O-])n[nH]1 ZINC000820492928 587051331 /nfs/dbraw/zinc/05/13/31/587051331.db2.gz VDCCSJCXHGCTJP-RNFRBKRXSA-N -1 3 226.280 0.881 20 0 BCADHM CCc1nnc([C@@H](C)N[C@H](C)CC(=O)[O-])[nH]1 ZINC000820492928 587051332 /nfs/dbraw/zinc/05/13/32/587051332.db2.gz VDCCSJCXHGCTJP-RNFRBKRXSA-N -1 3 226.280 0.881 20 0 BCADHM CCc1nnc([C@@H](C)[NH2+][C@H](C)CC(=O)[O-])[n-]1 ZINC000820492928 587051333 /nfs/dbraw/zinc/05/13/33/587051333.db2.gz VDCCSJCXHGCTJP-RNFRBKRXSA-N -1 3 226.280 0.881 20 0 BCADHM CCc1nc([C@H](C)N[C@H](C)CC(=O)[O-])n[nH]1 ZINC000820492929 587051496 /nfs/dbraw/zinc/05/14/96/587051496.db2.gz VDCCSJCXHGCTJP-RQJHMYQMSA-N -1 3 226.280 0.881 20 0 BCADHM CCc1nnc([C@H](C)N[C@H](C)CC(=O)[O-])[nH]1 ZINC000820492929 587051497 /nfs/dbraw/zinc/05/14/97/587051497.db2.gz VDCCSJCXHGCTJP-RQJHMYQMSA-N -1 3 226.280 0.881 20 0 BCADHM CCc1nnc([C@H](C)[NH2+][C@H](C)CC(=O)[O-])[n-]1 ZINC000820492929 587051498 /nfs/dbraw/zinc/05/14/98/587051498.db2.gz VDCCSJCXHGCTJP-RQJHMYQMSA-N -1 3 226.280 0.881 20 0 BCADHM CN(C)c1nccc(CNCCC(=O)[O-])n1 ZINC000820554694 587053255 /nfs/dbraw/zinc/05/32/55/587053255.db2.gz ZBDKVQUGERKWLZ-UHFFFAOYSA-N -1 3 224.264 0.107 20 0 BCADHM CN(C)C(=O)NCCN(C)CCCCC(=O)[O-] ZINC000820592293 587057428 /nfs/dbraw/zinc/05/74/28/587057428.db2.gz ZFRWAAWSUZUYGC-UHFFFAOYSA-N -1 3 245.323 0.444 20 0 BCADHM CC1(CNCc2ccc(-c3nnn[n-]3)o2)COC1 ZINC000820618914 587059361 /nfs/dbraw/zinc/05/93/61/587059361.db2.gz SRTXTJYCMHBVQJ-UHFFFAOYSA-N -1 3 249.274 0.586 20 0 BCADHM CN(CCC(=O)[O-])[C@H]1CCCN(C)C1=O ZINC000820620120 587059404 /nfs/dbraw/zinc/05/94/04/587059404.db2.gz DZJSHTIJMZESOF-QMMMGPOBSA-N -1 3 214.265 0.014 20 0 BCADHM C[C@@H]1C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820677157 587065439 /nfs/dbraw/zinc/06/54/39/587065439.db2.gz PQEPIDDZTXEGKO-VDTYLAMSSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@@H]1C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820677157 587065440 /nfs/dbraw/zinc/06/54/40/587065440.db2.gz PQEPIDDZTXEGKO-VDTYLAMSSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@H]1C[C@@H]1NCc1ccc(-c2nnn[n-]2)o1 ZINC000820678057 587065605 /nfs/dbraw/zinc/06/56/05/587065605.db2.gz SKSLUGDJXOLAOD-XPUUQOCRSA-N -1 3 219.248 0.958 20 0 BCADHM CO[C@H](C)C(=O)OC[C@H]1CCCN1CC(=O)[O-] ZINC000820696347 587066601 /nfs/dbraw/zinc/06/66/01/587066601.db2.gz CYESESJYZYACPH-RKDXNWHRSA-N -1 3 245.275 0.114 20 0 BCADHM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)[O-])[C@@H]2C1 ZINC000820703205 587067460 /nfs/dbraw/zinc/06/74/60/587067460.db2.gz RQRVWWCXYOEYRE-BBBLOLIVSA-N -1 3 229.276 0.339 20 0 BCADHM COc1cc(CN(C)CC(=O)[O-])ccn1 ZINC000820763794 587070940 /nfs/dbraw/zinc/07/09/40/587070940.db2.gz BOSYMMXMLMOVAU-UHFFFAOYSA-N -1 3 210.233 0.607 20 0 BCADHM CC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820877079 587078938 /nfs/dbraw/zinc/07/89/38/587078938.db2.gz ZOJPMTOITNDYJS-ZETCQYMHSA-N -1 3 248.290 0.734 20 0 BCADHM CC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820877079 587078940 /nfs/dbraw/zinc/07/89/40/587078940.db2.gz ZOJPMTOITNDYJS-ZETCQYMHSA-N -1 3 248.290 0.734 20 0 BCADHM CC[C@@H](CO)NCc1ccc(-c2nnn[n-]2)o1 ZINC000820908903 587081367 /nfs/dbraw/zinc/08/13/67/587081367.db2.gz REBFBRRBCHBIKX-ZETCQYMHSA-N -1 3 237.263 0.320 20 0 BCADHM CC[C@@H](CO)NCc1ccc(-c2nn[n-]n2)o1 ZINC000820908903 587081369 /nfs/dbraw/zinc/08/13/69/587081369.db2.gz REBFBRRBCHBIKX-ZETCQYMHSA-N -1 3 237.263 0.320 20 0 BCADHM C[C@](CO)(NC(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000860163830 589084468 /nfs/dbraw/zinc/08/44/68/589084468.db2.gz AMWDCENQUQQNHJ-LLVKDONJSA-N -1 3 237.259 0.073 20 0 BCADHM Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)CC(=O)[O-] ZINC000821181355 587100424 /nfs/dbraw/zinc/10/04/24/587100424.db2.gz DPIQLCIPLWFENV-APPZFPTMSA-N -1 3 238.291 0.874 20 0 BCADHM CC(C)O[N-]C(=O)/C=C/c1cn(C)cn1 ZINC000821213300 587102157 /nfs/dbraw/zinc/10/21/57/587102157.db2.gz KXLSIKMGLRTPCA-SNAWJCMRSA-N -1 3 209.249 0.890 20 0 BCADHM O=C([O-])CCCN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000821524268 587125396 /nfs/dbraw/zinc/12/53/96/587125396.db2.gz ZWVASNNHZOZGLB-MNOVXSKESA-N -1 3 243.303 0.731 20 0 BCADHM O=C([O-])CCCN(CCO)Cc1cccnc1 ZINC000821523890 587125415 /nfs/dbraw/zinc/12/54/15/587125415.db2.gz DKNUNWIYAWKDPD-UHFFFAOYSA-N -1 3 238.287 0.741 20 0 BCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC000821573098 587129405 /nfs/dbraw/zinc/12/94/05/587129405.db2.gz AVSOSTGWLMOSGR-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC000821573098 587129407 /nfs/dbraw/zinc/12/94/07/587129407.db2.gz AVSOSTGWLMOSGR-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CN(CC1CC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821596665 587131620 /nfs/dbraw/zinc/13/16/20/587131620.db2.gz QZKQCBPJSXELMW-UHFFFAOYSA-N -1 3 246.274 0.677 20 0 BCADHM CN(CC1CC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821596665 587131621 /nfs/dbraw/zinc/13/16/21/587131621.db2.gz QZKQCBPJSXELMW-UHFFFAOYSA-N -1 3 246.274 0.677 20 0 BCADHM CN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821628461 587133569 /nfs/dbraw/zinc/13/35/69/587133569.db2.gz JGXNHICNYWEWPT-UHFFFAOYSA-N -1 3 245.290 0.014 20 0 BCADHM CN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821628461 587133567 /nfs/dbraw/zinc/13/35/67/587133567.db2.gz JGXNHICNYWEWPT-UHFFFAOYSA-N -1 3 245.290 0.014 20 0 BCADHM CCO[C@@H](C)C(=O)[N-]c1nnnn1C1CC1 ZINC000821666212 587134337 /nfs/dbraw/zinc/13/43/37/587134337.db2.gz FRIDZGJFHQSIRX-LURJTMIESA-N -1 3 225.252 0.372 20 0 BCADHM COCCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC000821688010 587135040 /nfs/dbraw/zinc/13/50/40/587135040.db2.gz ZWQZFUXNUMAADE-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM COCCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC000821688010 587135042 /nfs/dbraw/zinc/13/50/42/587135042.db2.gz ZWQZFUXNUMAADE-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM C[C@@]1(C(=O)Nc2ncccc2[O-])CCC(=O)N1 ZINC000821843486 587143352 /nfs/dbraw/zinc/14/33/52/587143352.db2.gz MOBPEAQUUNSJJQ-NSHDSACASA-N -1 3 235.243 0.394 20 0 BCADHM O=C([N-]OCCO)c1c(F)cncc1F ZINC000822062997 587151094 /nfs/dbraw/zinc/15/10/94/587151094.db2.gz YAKAPBOCUQOBNF-UHFFFAOYSA-N -1 3 218.159 0.014 20 0 BCADHM COc1ccc(NC(=O)C(OC)OC)c([O-])c1 ZINC000822315796 587161939 /nfs/dbraw/zinc/16/19/39/587161939.db2.gz BTMKJONQFJYZJZ-UHFFFAOYSA-N -1 3 241.243 0.958 20 0 BCADHM Cc1nn(CCC(C)C)c(N)c1-c1nnn[n-]1 ZINC000822500762 587172521 /nfs/dbraw/zinc/17/25/21/587172521.db2.gz FNWLDADWEBWWSG-UHFFFAOYSA-N -1 3 235.295 1.000 20 0 BCADHM Cc1nn(CCC(C)C)c(N)c1-c1nn[n-]n1 ZINC000822500762 587172522 /nfs/dbraw/zinc/17/25/22/587172522.db2.gz FNWLDADWEBWWSG-UHFFFAOYSA-N -1 3 235.295 1.000 20 0 BCADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCCSC ZINC000822593626 587177050 /nfs/dbraw/zinc/17/70/50/587177050.db2.gz IOVGIAAGJGLSRF-JGVFFNPUSA-N -1 3 247.316 0.596 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H](C)C(=O)NC ZINC000822999200 587197793 /nfs/dbraw/zinc/19/77/93/587197793.db2.gz JCJFSEMQOBFMJV-YFKPBYRVSA-N -1 3 208.208 0.282 20 0 BCADHM CC(C)OCCO[N-]C(=O)CN1CCCC1 ZINC000823077355 587201604 /nfs/dbraw/zinc/20/16/04/587201604.db2.gz UYBVBCYDQSBWDW-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)C1=CCS(=O)(=O)C1 ZINC000823100518 587202748 /nfs/dbraw/zinc/20/27/48/587202748.db2.gz DRRFTLCBYQHLJO-QMMMGPOBSA-N -1 3 247.316 0.435 20 0 BCADHM CC[C@@](C)(O)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000823304893 587215381 /nfs/dbraw/zinc/21/53/81/587215381.db2.gz AWARTQURXWSMOR-HZGVNTEJSA-N -1 3 216.306 0.755 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H](C)N(C)C ZINC000823377268 587218589 /nfs/dbraw/zinc/21/85/89/587218589.db2.gz MNCBRIKXLAQACI-RKDXNWHRSA-N -1 3 218.297 0.001 20 0 BCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCC1 ZINC000823460325 587223879 /nfs/dbraw/zinc/22/38/79/587223879.db2.gz MJENMRUQPADPOW-UHFFFAOYSA-N -1 3 232.247 0.431 20 0 BCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCC1 ZINC000823460325 587223880 /nfs/dbraw/zinc/22/38/80/587223880.db2.gz MJENMRUQPADPOW-UHFFFAOYSA-N -1 3 232.247 0.431 20 0 BCADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC1 ZINC000823472702 587224446 /nfs/dbraw/zinc/22/44/46/587224446.db2.gz VZCXIJDZKVTFDK-UHFFFAOYSA-N -1 3 235.272 0.774 20 0 BCADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC1 ZINC000823472702 587224447 /nfs/dbraw/zinc/22/44/47/587224447.db2.gz VZCXIJDZKVTFDK-UHFFFAOYSA-N -1 3 235.272 0.774 20 0 BCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCCC1 ZINC000823467413 587224576 /nfs/dbraw/zinc/22/45/76/587224576.db2.gz WEHSSJBQCKMNAR-UHFFFAOYSA-N -1 3 246.274 0.821 20 0 BCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCCC1 ZINC000823467413 587224579 /nfs/dbraw/zinc/22/45/79/587224579.db2.gz WEHSSJBQCKMNAR-UHFFFAOYSA-N -1 3 246.274 0.821 20 0 BCADHM CC(=O)NCCCN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823579507 587231402 /nfs/dbraw/zinc/23/14/02/587231402.db2.gz IYTCBSUSIAGOMK-SNVBAGLBSA-N -1 3 243.307 0.197 20 0 BCADHM O[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000823689494 587236578 /nfs/dbraw/zinc/23/65/78/587236578.db2.gz GKRWSWGJLBJMMF-JTQLQIEISA-N -1 3 246.274 0.445 20 0 BCADHM O[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000823689494 587236580 /nfs/dbraw/zinc/23/65/80/587236580.db2.gz GKRWSWGJLBJMMF-JTQLQIEISA-N -1 3 246.274 0.445 20 0 BCADHM OC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000823712963 587237817 /nfs/dbraw/zinc/23/78/17/587237817.db2.gz ASFNGGNCQBHRTG-QMMMGPOBSA-N -1 3 246.274 0.080 20 0 BCADHM OC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000823712963 587237819 /nfs/dbraw/zinc/23/78/19/587237819.db2.gz ASFNGGNCQBHRTG-QMMMGPOBSA-N -1 3 246.274 0.080 20 0 BCADHM c1cc(-c2nnn[n-]2)ncc1NC1CCOCC1 ZINC000823748515 587238887 /nfs/dbraw/zinc/23/88/87/587238887.db2.gz ZWCGMTRWEOOWJT-UHFFFAOYSA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(-c2nn[n-]n2)ncc1NC1CCOCC1 ZINC000823748515 587238889 /nfs/dbraw/zinc/23/88/89/587238889.db2.gz ZWCGMTRWEOOWJT-UHFFFAOYSA-N -1 3 246.274 0.853 20 0 BCADHM CC(C)(O)CCN1CCC[C@H](NC(=O)[O-])C1 ZINC000824035083 587249870 /nfs/dbraw/zinc/24/98/70/587249870.db2.gz LPPCPDSHQLZPLM-VIFPVBQESA-N -1 3 230.308 0.879 20 0 BCADHM Cn1cc(C(C)(C)[N-]C(=O)C(C)(F)F)nn1 ZINC000824117729 587256784 /nfs/dbraw/zinc/25/67/84/587256784.db2.gz XSHRZMOCHFTGJA-UHFFFAOYSA-N -1 3 232.234 0.822 20 0 BCADHM CC(C)[C@@H](CNCc1ccnn1C)NC(=O)[O-] ZINC000824122253 587256956 /nfs/dbraw/zinc/25/69/56/587256956.db2.gz FITPQBMDYRICDD-SNVBAGLBSA-N -1 3 240.307 0.802 20 0 BCADHM Cn1cc(C(C)(C)[N-]C(=O)C(F)F)nn1 ZINC000824128673 587257111 /nfs/dbraw/zinc/25/71/11/587257111.db2.gz RWFWUDZOJASYGG-UHFFFAOYSA-N -1 3 218.207 0.432 20 0 BCADHM CC(C)(O)CCn1ccc(-c2nnn[n-]2)c1 ZINC000824173303 587259254 /nfs/dbraw/zinc/25/92/54/587259254.db2.gz WYRJXHRCRKPFIQ-UHFFFAOYSA-N -1 3 221.264 0.829 20 0 BCADHM CC(C)(O)CCn1ccc(-c2nn[n-]n2)c1 ZINC000824173303 587259256 /nfs/dbraw/zinc/25/92/56/587259256.db2.gz WYRJXHRCRKPFIQ-UHFFFAOYSA-N -1 3 221.264 0.829 20 0 BCADHM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](C)N(C)C ZINC000824355306 587267146 /nfs/dbraw/zinc/26/71/46/587267146.db2.gz NKCUMCYYFNIKKK-MRVPVSSYSA-N -1 3 246.307 0.326 20 0 BCADHM CC(C)OC[C@H](O)CN(C)[C@H](C)CNC(=O)[O-] ZINC000824394968 587269074 /nfs/dbraw/zinc/26/90/74/587269074.db2.gz ZJSCQISBDWCUGG-NXEZZACHSA-N -1 3 248.323 0.360 20 0 BCADHM C[C@@H](CO)[C@@H](C)Nc1cnccc1-c1nnn[n-]1 ZINC000824434481 587270672 /nfs/dbraw/zinc/27/06/72/587270672.db2.gz KQMLRLLWDZZNGC-JGVFFNPUSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](CO)[C@@H](C)Nc1cnccc1-c1nn[n-]n1 ZINC000824434481 587270674 /nfs/dbraw/zinc/27/06/74/587270674.db2.gz KQMLRLLWDZZNGC-JGVFFNPUSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@H](NC(=O)CO)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479598 587271490 /nfs/dbraw/zinc/27/14/90/587271490.db2.gz OLSNCAOJYHCMQB-ZETCQYMHSA-N -1 3 247.258 0.036 20 0 BCADHM C[C@H](NC(=O)CO)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479598 587271491 /nfs/dbraw/zinc/27/14/91/587271491.db2.gz OLSNCAOJYHCMQB-ZETCQYMHSA-N -1 3 247.258 0.036 20 0 BCADHM C[C@H](C[C@H](C)O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824698072 587283195 /nfs/dbraw/zinc/28/31/95/587283195.db2.gz ILXQJEZAGNRRDB-SFYZADRCSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](C[C@H](C)O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824698072 587283197 /nfs/dbraw/zinc/28/31/97/587283197.db2.gz ILXQJEZAGNRRDB-SFYZADRCSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](O)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000824700470 587283479 /nfs/dbraw/zinc/28/34/79/587283479.db2.gz YVHMDTIMFBWLNL-YUMQZZPRSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](O)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000824700470 587283480 /nfs/dbraw/zinc/28/34/80/587283480.db2.gz YVHMDTIMFBWLNL-YUMQZZPRSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](O)CCN(C)c1cnccc1-c1nnn[n-]1 ZINC000824698582 587283636 /nfs/dbraw/zinc/28/36/36/587283636.db2.gz MKLJMHRZSPBOAE-QMMMGPOBSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@H](O)CCN(C)c1cnccc1-c1nn[n-]n1 ZINC000824698582 587283637 /nfs/dbraw/zinc/28/36/37/587283637.db2.gz MKLJMHRZSPBOAE-QMMMGPOBSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@@H](O)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824698071 587283665 /nfs/dbraw/zinc/28/36/65/587283665.db2.gz ILXQJEZAGNRRDB-JGVFFNPUSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824698071 587283666 /nfs/dbraw/zinc/28/36/66/587283666.db2.gz ILXQJEZAGNRRDB-JGVFFNPUSA-N -1 3 248.290 0.833 20 0 BCADHM CC1(C)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824807133 587288163 /nfs/dbraw/zinc/28/81/63/587288163.db2.gz FIWNYIUKQGSGIG-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CC1(C)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824807133 587288166 /nfs/dbraw/zinc/28/81/66/587288166.db2.gz FIWNYIUKQGSGIG-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000824822222 587288879 /nfs/dbraw/zinc/28/88/79/587288879.db2.gz AZACFBPRVCEEKA-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM CC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000824822222 587288880 /nfs/dbraw/zinc/28/88/80/587288880.db2.gz AZACFBPRVCEEKA-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM C[C@]1(O)CCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000824844134 587289636 /nfs/dbraw/zinc/28/96/36/587289636.db2.gz QJHXGVHTXFVUMA-NSHDSACASA-N -1 3 249.274 0.416 20 0 BCADHM C[C@@]1(Nc2ncccc2-c2nnn[n-]2)CCOC1 ZINC000824839046 587290030 /nfs/dbraw/zinc/29/00/30/587290030.db2.gz XRXBZYVNWDGYIF-LLVKDONJSA-N -1 3 246.274 0.853 20 0 BCADHM C[C@@]1(Nc2ncccc2-c2nn[n-]n2)CCOC1 ZINC000824839046 587290031 /nfs/dbraw/zinc/29/00/31/587290031.db2.gz XRXBZYVNWDGYIF-LLVKDONJSA-N -1 3 246.274 0.853 20 0 BCADHM C[C@H](CNC(=O)[C@@H](C)CN(C)C(=O)[O-])N(C)C ZINC000824854106 587290423 /nfs/dbraw/zinc/29/04/23/587290423.db2.gz HBLFCAMDVKRRCR-DTWKUNHWSA-N -1 3 245.323 0.299 20 0 BCADHM C[C@H]1C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824900003 587292380 /nfs/dbraw/zinc/29/23/80/587292380.db2.gz RHNYFQSARSQFKC-FSPLSTOPSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@H]1C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824900003 587292381 /nfs/dbraw/zinc/29/23/81/587292381.db2.gz RHNYFQSARSQFKC-FSPLSTOPSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@H](CNC(=O)C(C)(C)CNC(=O)[O-])N(C)C ZINC000824908102 587293114 /nfs/dbraw/zinc/29/31/14/587293114.db2.gz QXSXUTXONOTPGW-MRVPVSSYSA-N -1 3 245.323 0.347 20 0 BCADHM C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824949082 587294484 /nfs/dbraw/zinc/29/44/84/587294484.db2.gz WKIBJDURSKDJOT-SSDOTTSWSA-N -1 3 246.274 0.819 20 0 BCADHM C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824949082 587294486 /nfs/dbraw/zinc/29/44/86/587294486.db2.gz WKIBJDURSKDJOT-SSDOTTSWSA-N -1 3 246.274 0.819 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1O ZINC000824992230 587297637 /nfs/dbraw/zinc/29/76/37/587297637.db2.gz KXNIHGYHJNWBHI-KCJUWKMLSA-N -1 3 245.286 0.684 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1O ZINC000824992230 587297638 /nfs/dbraw/zinc/29/76/38/587297638.db2.gz KXNIHGYHJNWBHI-KCJUWKMLSA-N -1 3 245.286 0.684 20 0 BCADHM C[C@H]1CN(c2cnccc2-c2nnn[n-]2)C[C@@H]1O ZINC000824999410 587298247 /nfs/dbraw/zinc/29/82/47/587298247.db2.gz GZWUAFBVYHMPPL-XVKPBYJWSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1CN(c2cnccc2-c2nn[n-]n2)C[C@@H]1O ZINC000824999410 587298248 /nfs/dbraw/zinc/29/82/48/587298248.db2.gz GZWUAFBVYHMPPL-XVKPBYJWSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1OCC[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000825021475 587299261 /nfs/dbraw/zinc/29/92/61/587299261.db2.gz RBAMHPGPCLHHMI-APPZFPTMSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@H]1OCC[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000825021475 587299263 /nfs/dbraw/zinc/29/92/63/587299263.db2.gz RBAMHPGPCLHHMI-APPZFPTMSA-N -1 3 246.274 0.851 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)N(C)C)C2 ZINC000825034273 587299613 /nfs/dbraw/zinc/29/96/13/587299613.db2.gz FPTCHGCQZCBEGV-UHFFFAOYSA-N -1 3 222.248 0.488 20 0 BCADHM CC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825067785 587302334 /nfs/dbraw/zinc/30/23/34/587302334.db2.gz MYIFSBGSHIMERB-LURJTMIESA-N -1 3 234.263 0.723 20 0 BCADHM CC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825067785 587302336 /nfs/dbraw/zinc/30/23/36/587302336.db2.gz MYIFSBGSHIMERB-LURJTMIESA-N -1 3 234.263 0.723 20 0 BCADHM CC[C@H](CO)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825119472 587305725 /nfs/dbraw/zinc/30/57/25/587305725.db2.gz CRJKFGJSCKMWAD-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM CC[C@H](CO)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825119472 587305727 /nfs/dbraw/zinc/30/57/27/587305727.db2.gz CRJKFGJSCKMWAD-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM CCn1ncc(C)c1NC([O-])=NOCCOC ZINC000825150882 587307072 /nfs/dbraw/zinc/30/70/72/587307072.db2.gz LFMXQEDEOKZWSD-UHFFFAOYSA-N -1 3 242.279 0.911 20 0 BCADHM CCn1ncc(C)c1NC(=O)[N-]OCCOC ZINC000825150882 587307074 /nfs/dbraw/zinc/30/70/74/587307074.db2.gz LFMXQEDEOKZWSD-UHFFFAOYSA-N -1 3 242.279 0.911 20 0 BCADHM C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H]1CN(C)C ZINC000825178965 587308492 /nfs/dbraw/zinc/30/84/92/587308492.db2.gz WDLZIRCTEXSCLF-BDAKNGLRSA-N -1 3 243.307 0.195 20 0 BCADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CCO)C1 ZINC000825264845 587311600 /nfs/dbraw/zinc/31/16/00/587311600.db2.gz OHXMAKSJXAJYKG-RKDXNWHRSA-N -1 3 216.281 0.347 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@]12C[C@H]1CCC2 ZINC000825277990 587312763 /nfs/dbraw/zinc/31/27/63/587312763.db2.gz XLTROLIMQRIKOC-OPQQBVKSSA-N -1 3 249.314 0.805 20 0 BCADHM CCN(CC)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825406564 587318831 /nfs/dbraw/zinc/31/88/31/587318831.db2.gz OYYKRJHYYYSHGW-UHFFFAOYSA-N -1 3 234.263 0.677 20 0 BCADHM CCN(CC)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825406564 587318833 /nfs/dbraw/zinc/31/88/33/587318833.db2.gz OYYKRJHYYYSHGW-UHFFFAOYSA-N -1 3 234.263 0.677 20 0 BCADHM CCN(CC)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825406073 587318838 /nfs/dbraw/zinc/31/88/38/587318838.db2.gz IODDFCIBXIYJCG-UHFFFAOYSA-N -1 3 234.263 0.677 20 0 BCADHM CCN(CC)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825406073 587318840 /nfs/dbraw/zinc/31/88/40/587318840.db2.gz IODDFCIBXIYJCG-UHFFFAOYSA-N -1 3 234.263 0.677 20 0 BCADHM C[C@@H](O)[C@H]1CCCCN1CCNC(=O)[O-] ZINC000825516097 587322697 /nfs/dbraw/zinc/32/26/97/587322697.db2.gz SHQJNMKBIVSYBC-RKDXNWHRSA-N -1 3 216.281 0.489 20 0 BCADHM CCONC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825604374 587326899 /nfs/dbraw/zinc/32/68/99/587326899.db2.gz ICGSBDQTUQOWIB-UHFFFAOYSA-N -1 3 247.258 0.856 20 0 BCADHM CCONC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825604374 587326900 /nfs/dbraw/zinc/32/69/00/587326900.db2.gz ICGSBDQTUQOWIB-UHFFFAOYSA-N -1 3 247.258 0.856 20 0 BCADHM C/C(=C/CN(C)CCN1CCOCC1)C(=O)[O-] ZINC000825729655 587334345 /nfs/dbraw/zinc/33/43/45/587334345.db2.gz JJECLQRADDKHEV-JYOAFUTRSA-N -1 3 242.319 0.281 20 0 BCADHM C/C(=C/CN1CCC[C@H]1C(=O)N(C)C)C(=O)[O-] ZINC000825742101 587335309 /nfs/dbraw/zinc/33/53/09/587335309.db2.gz VZCMGGQSXBRIKV-MBACFSSFSA-N -1 3 240.303 0.570 20 0 BCADHM C/C(=C/CN1CCC[C@H](OCCO)C1)C(=O)[O-] ZINC000825742020 587335322 /nfs/dbraw/zinc/33/53/22/587335322.db2.gz VERCNHXXQQUVEM-FGUAACIASA-N -1 3 243.303 0.491 20 0 BCADHM C/C(=C\CN1CCN(C[C@@H](C)O)CC1)C(=O)[O-] ZINC000825741621 587335625 /nfs/dbraw/zinc/33/56/25/587335625.db2.gz QQQKCSNPWHWDOF-JNZVDCKRSA-N -1 3 242.319 0.016 20 0 BCADHM C/C(=C\CN1C[C@@H]2[C@H](C1)OCCN2C)C(=O)[O-] ZINC000825736432 587336002 /nfs/dbraw/zinc/33/60/02/587336002.db2.gz ZAEJHPUTWZKFGJ-PUMWVJNTSA-N -1 3 240.303 0.032 20 0 BCADHM CCn1ccnc1Cn1ccnc1-c1nnn[n-]1 ZINC000825804433 587339589 /nfs/dbraw/zinc/33/95/89/587339589.db2.gz AQJJLPNGOZRTRO-UHFFFAOYSA-N -1 3 244.262 0.328 20 0 BCADHM COCCCON=C([O-])Nc1nn(C)cc1C ZINC000826037203 587348971 /nfs/dbraw/zinc/34/89/71/587348971.db2.gz XYGFTTLRIVTIBM-UHFFFAOYSA-N -1 3 242.279 0.818 20 0 BCADHM COCCCO[N-]C(=O)Nc1nn(C)cc1C ZINC000826037203 587348972 /nfs/dbraw/zinc/34/89/72/587348972.db2.gz XYGFTTLRIVTIBM-UHFFFAOYSA-N -1 3 242.279 0.818 20 0 BCADHM C[C@H]1CN(CC2(O)CCC2)CCN1C(=O)[O-] ZINC000826050464 587349750 /nfs/dbraw/zinc/34/97/50/587349750.db2.gz XLBGASKEASNJGR-VIFPVBQESA-N -1 3 228.292 0.586 20 0 BCADHM CCO[N-]C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000826088485 587350662 /nfs/dbraw/zinc/35/06/62/587350662.db2.gz TUPRVLHAUZWNMO-JTQLQIEISA-N -1 3 226.251 0.936 20 0 BCADHM CO[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826166285 587351520 /nfs/dbraw/zinc/35/15/20/587351520.db2.gz DHWJXDZTBRJQMF-QMMMGPOBSA-N -1 3 249.274 0.680 20 0 BCADHM CO[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826166285 587351521 /nfs/dbraw/zinc/35/15/21/587351521.db2.gz DHWJXDZTBRJQMF-QMMMGPOBSA-N -1 3 249.274 0.680 20 0 BCADHM COCCN(C)c1nccc(C)c1-c1nnn[n-]1 ZINC000826157623 587351663 /nfs/dbraw/zinc/35/16/63/587351663.db2.gz DQAQUVICFRFWTE-UHFFFAOYSA-N -1 3 248.290 0.653 20 0 BCADHM COCCN(C)c1nccc(C)c1-c1nn[n-]n1 ZINC000826157623 587351664 /nfs/dbraw/zinc/35/16/64/587351664.db2.gz DQAQUVICFRFWTE-UHFFFAOYSA-N -1 3 248.290 0.653 20 0 BCADHM COCc1noc(-c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC000826166191 587351688 /nfs/dbraw/zinc/35/16/88/587351688.db2.gz YLJXTQNIPMOPHA-UHFFFAOYSA-N -1 3 247.218 0.391 20 0 BCADHM COCc1noc(-c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC000826166191 587351689 /nfs/dbraw/zinc/35/16/89/587351689.db2.gz YLJXTQNIPMOPHA-UHFFFAOYSA-N -1 3 247.218 0.391 20 0 BCADHM COc1cc(-c2nnn[n-]2)ccc1COC(C)=O ZINC000826173051 587351752 /nfs/dbraw/zinc/35/17/52/587351752.db2.gz KZXMWLWXOOBPCD-UHFFFAOYSA-N -1 3 248.242 0.938 20 0 BCADHM COc1cc(-c2nn[n-]n2)ccc1COC(C)=O ZINC000826173051 587351753 /nfs/dbraw/zinc/35/17/53/587351753.db2.gz KZXMWLWXOOBPCD-UHFFFAOYSA-N -1 3 248.242 0.938 20 0 BCADHM CON(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826166414 587351765 /nfs/dbraw/zinc/35/17/65/587351765.db2.gz JOGQFGPAAWOEBY-UHFFFAOYSA-N -1 3 248.246 0.892 20 0 BCADHM CON(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826166414 587351766 /nfs/dbraw/zinc/35/17/66/587351766.db2.gz JOGQFGPAAWOEBY-UHFFFAOYSA-N -1 3 248.246 0.892 20 0 BCADHM Cc1ccnc(NCC(C)(C)O)c1-c1nnn[n-]1 ZINC000826312787 587352148 /nfs/dbraw/zinc/35/21/48/587352148.db2.gz OPBYFXGZAVXUJE-UHFFFAOYSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccnc(NCC(C)(C)O)c1-c1nn[n-]n1 ZINC000826312787 587352149 /nfs/dbraw/zinc/35/21/49/587352149.db2.gz OPBYFXGZAVXUJE-UHFFFAOYSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1cn(CCCO)cc1-c1nnn[n-]1 ZINC000826317190 587352200 /nfs/dbraw/zinc/35/22/00/587352200.db2.gz RKMYFSQRQLAYJU-UHFFFAOYSA-N -1 3 207.237 0.359 20 0 BCADHM Cc1cn(CCCO)cc1-c1nn[n-]n1 ZINC000826317190 587352201 /nfs/dbraw/zinc/35/22/01/587352201.db2.gz RKMYFSQRQLAYJU-UHFFFAOYSA-N -1 3 207.237 0.359 20 0 BCADHM Cc1ccnc(N[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826312672 587352480 /nfs/dbraw/zinc/35/24/80/587352480.db2.gz LGYHOKFGAVRNKU-MRVPVSSYSA-N -1 3 246.274 0.771 20 0 BCADHM Cc1ccnc(N[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826312672 587352481 /nfs/dbraw/zinc/35/24/81/587352481.db2.gz LGYHOKFGAVRNKU-MRVPVSSYSA-N -1 3 246.274 0.771 20 0 BCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC=CCC1 ZINC000826470833 587353180 /nfs/dbraw/zinc/35/31/80/587353180.db2.gz FIRZMPKPOSHCBY-UHFFFAOYSA-N -1 3 244.258 0.597 20 0 BCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC=CCC1 ZINC000826470833 587353181 /nfs/dbraw/zinc/35/31/81/587353181.db2.gz FIRZMPKPOSHCBY-UHFFFAOYSA-N -1 3 244.258 0.597 20 0 BCADHM c1cn(C[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000826524583 587353402 /nfs/dbraw/zinc/35/34/02/587353402.db2.gz AIILNPOLGPGTTO-MRVPVSSYSA-N -1 3 219.248 0.705 20 0 BCADHM c1cn(C[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826524583 587353403 /nfs/dbraw/zinc/35/34/03/587353403.db2.gz AIILNPOLGPGTTO-MRVPVSSYSA-N -1 3 219.248 0.705 20 0 BCADHM c1cc(-c2nnn[n-]2)oc1CN[C@H]1CCOC1 ZINC000826515402 587353529 /nfs/dbraw/zinc/35/35/29/587353529.db2.gz XTPQUDDAWSENMH-ZETCQYMHSA-N -1 3 235.247 0.338 20 0 BCADHM c1cc(-c2nn[n-]n2)oc1CN[C@H]1CCOC1 ZINC000826515402 587353530 /nfs/dbraw/zinc/35/35/30/587353530.db2.gz XTPQUDDAWSENMH-ZETCQYMHSA-N -1 3 235.247 0.338 20 0 BCADHM OC[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826508989 587353660 /nfs/dbraw/zinc/35/36/60/587353660.db2.gz IRKHXKFERDCCBG-MRVPVSSYSA-N -1 3 249.274 0.416 20 0 BCADHM OC[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826508989 587353661 /nfs/dbraw/zinc/35/36/61/587353661.db2.gz IRKHXKFERDCCBG-MRVPVSSYSA-N -1 3 249.274 0.416 20 0 BCADHM OC[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826508990 587353877 /nfs/dbraw/zinc/35/38/77/587353877.db2.gz IRKHXKFERDCCBG-QMMMGPOBSA-N -1 3 249.274 0.416 20 0 BCADHM OC[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826508990 587353878 /nfs/dbraw/zinc/35/38/78/587353878.db2.gz IRKHXKFERDCCBG-QMMMGPOBSA-N -1 3 249.274 0.416 20 0 BCADHM c1cc(NCCN2CCC2)ncc1-c1nnn[n-]1 ZINC000826517000 587353938 /nfs/dbraw/zinc/35/39/38/587353938.db2.gz LPSXCGOIRSIJJF-UHFFFAOYSA-N -1 3 245.290 0.379 20 0 BCADHM c1cc(NCCN2CCC2)ncc1-c1nn[n-]n1 ZINC000826517000 587353939 /nfs/dbraw/zinc/35/39/39/587353939.db2.gz LPSXCGOIRSIJJF-UHFFFAOYSA-N -1 3 245.290 0.379 20 0 BCADHM CC[C@H](NCCNC(=O)[O-])c1cnn(C)c1 ZINC000826619770 587356796 /nfs/dbraw/zinc/35/67/96/587356796.db2.gz MOKZWOJIRILTDG-VIFPVBQESA-N -1 3 226.280 0.728 20 0 BCADHM CC[C@@H](O)CN(C)[C@H](C)CNC(=O)[O-] ZINC000826626244 587356913 /nfs/dbraw/zinc/35/69/13/587356913.db2.gz TUCITKADFUDSAQ-HTQZYQBOSA-N -1 3 204.270 0.345 20 0 BCADHM CC[C@@H](O)CN1CCN(C(=O)[O-])CC1(C)C ZINC000826625119 587357050 /nfs/dbraw/zinc/35/70/50/587357050.db2.gz BFQXUNCEDYLTFJ-SECBINFHSA-N -1 3 230.308 0.832 20 0 BCADHM CCC[C@@H](NC(=O)[O-])C(=O)N(C)CCN(C)C ZINC000826745317 587361023 /nfs/dbraw/zinc/36/10/23/587361023.db2.gz WUUWSWRFWHORSU-SECBINFHSA-N -1 3 245.323 0.443 20 0 BCADHM CCN(OC)C(=O)C[N-]c1nnc(C)o1 ZINC000826751305 587361115 /nfs/dbraw/zinc/36/11/15/587361115.db2.gz JJSHBBOTWFFXQV-UHFFFAOYSA-N -1 3 214.225 0.200 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H](C(N)=O)C(C)C ZINC000826760050 587361470 /nfs/dbraw/zinc/36/14/70/587361470.db2.gz BOJQAAFSQDXXLH-ZCFIWIBFSA-N -1 3 222.235 0.658 20 0 BCADHM CC(C)N(C)CC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000826930485 587365763 /nfs/dbraw/zinc/36/57/63/587365763.db2.gz RFZMGZYCSOWWHN-SNVBAGLBSA-N -1 3 242.319 0.792 20 0 BCADHM CCN(CC)C(=O)CN[C@H]1CCN(C(=O)[O-])C1 ZINC000827030720 587368614 /nfs/dbraw/zinc/36/86/14/587368614.db2.gz ZYMDGRUKVBSPCU-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CCN(CCCC(=O)OC)C1CN(C(=O)[O-])C1 ZINC000827111724 587370275 /nfs/dbraw/zinc/37/02/75/587370275.db2.gz RBWYEIKJIMABNZ-UHFFFAOYSA-N -1 3 244.291 0.624 20 0 BCADHM CC1(O)CC(C(=O)[N-]OCc2cccnc2)C1 ZINC000827169175 587371752 /nfs/dbraw/zinc/37/17/52/587371752.db2.gz IKTYOGFFLWZUJR-UHFFFAOYSA-N -1 3 236.271 0.790 20 0 BCADHM CCN1C[C@H](NC(=O)[C@H](C)NC(=O)[O-])[C@@H](C)C1 ZINC000827201694 587372423 /nfs/dbraw/zinc/37/24/23/587372423.db2.gz YFAFOKRQGASSNX-CIUDSAMLSA-N -1 3 243.307 0.099 20 0 BCADHM CCN1C[C@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)[O-])C1 ZINC000827201696 587372527 /nfs/dbraw/zinc/37/25/27/587372527.db2.gz YFAFOKRQGASSNX-DJLDLDEBSA-N -1 3 243.307 0.099 20 0 BCADHM CCN1C[C@@H](C)[C@@H](NC(=O)CCNC(=O)[O-])C1 ZINC000827199246 587372551 /nfs/dbraw/zinc/37/25/51/587372551.db2.gz OLKLAQFWDYRWNU-BDAKNGLRSA-N -1 3 243.307 0.101 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)NC[C@H](C)N1CCCC1 ZINC000827282069 587375249 /nfs/dbraw/zinc/37/52/49/587375249.db2.gz QENRVAJBPSEIGL-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM CCOC[C@@H](O)CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827388846 587379311 /nfs/dbraw/zinc/37/93/11/587379311.db2.gz PXNUOLLFTSETNW-ZJUUUORDSA-N -1 3 246.307 0.068 20 0 BCADHM C[C@H](N(C)CC(=O)NCCC(=O)[O-])C1(C)CC1 ZINC000827603689 587391974 /nfs/dbraw/zinc/39/19/74/587391974.db2.gz ZKCCXJUBPWXMOL-VIFPVBQESA-N -1 3 242.319 0.698 20 0 BCADHM CCC(F)(F)C(=O)[N-]C1(C(N)=O)CCCC1 ZINC000827727428 587400002 /nfs/dbraw/zinc/40/00/02/587400002.db2.gz AZTYXPXNHKHANJ-UHFFFAOYSA-N -1 3 234.246 0.946 20 0 BCADHM CS(C)(=O)=NC(=O)c1cc(=O)cc[n-]1 ZINC000828009715 587416755 /nfs/dbraw/zinc/41/67/55/587416755.db2.gz KHKYIHYGZMESPA-UHFFFAOYSA-N -1 3 214.246 0.243 20 0 BCADHM C[C@]1(C(=O)[O-])CCN(CN2CCOC2=S)C1 ZINC000828028921 587417347 /nfs/dbraw/zinc/41/73/47/587417347.db2.gz IGSHNLJWOVRLOK-JTQLQIEISA-N -1 3 244.316 0.358 20 0 BCADHM C[C@@H]1CC[C@H](C)N(CC(=O)NCCC(=O)[O-])C1 ZINC000828214356 587424634 /nfs/dbraw/zinc/42/46/34/587424634.db2.gz LIHXAMOBYUYBFI-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CN(CC1CCN(CCO)CC1)C(=O)[O-] ZINC000828260922 587429071 /nfs/dbraw/zinc/42/90/71/587429071.db2.gz XDOOSNGTRGVAAE-UHFFFAOYSA-N -1 3 216.281 0.301 20 0 BCADHM C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@@H]1C(=O)[O-] ZINC000828326042 587434779 /nfs/dbraw/zinc/43/47/79/587434779.db2.gz LCXIFOUPAZTOOL-UTLUCORTSA-N -1 3 240.303 0.260 20 0 BCADHM CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828333474 587436193 /nfs/dbraw/zinc/43/61/93/587436193.db2.gz IDHJDKWBBVPOKO-NXEZZACHSA-N -1 3 242.319 0.506 20 0 BCADHM Cn1ncc(C(=O)[N-]OCC(F)F)c1Cl ZINC000828461113 587443814 /nfs/dbraw/zinc/44/38/14/587443814.db2.gz KNIPRMRQDCDXLX-UHFFFAOYSA-N -1 3 239.609 1.000 20 0 BCADHM CC[C@H](C(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1)N(C)C ZINC000828586906 587451556 /nfs/dbraw/zinc/45/15/56/587451556.db2.gz LDBJUBIPESXYHK-IVZWLZJFSA-N -1 3 242.319 0.506 20 0 BCADHM CC[C@H](C(=O)OC)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828603438 587453223 /nfs/dbraw/zinc/45/32/23/587453223.db2.gz INOOZHMBIWDTFW-IWSPIJDZSA-N -1 3 229.276 0.591 20 0 BCADHM COC(=O)CCN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828676144 587456907 /nfs/dbraw/zinc/45/69/07/587456907.db2.gz VQALVCFZCRAWMS-QMMMGPOBSA-N -1 3 230.264 0.234 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)OCC1=CCCC1 ZINC000828841799 587466197 /nfs/dbraw/zinc/46/61/97/587466197.db2.gz HFXDFACNVLUKMD-UHFFFAOYSA-N -1 3 238.243 0.192 20 0 BCADHM CC[C@H](C(=O)N[C@@H](CC)C(=O)[O-])N(C)C ZINC000828914633 587471819 /nfs/dbraw/zinc/47/18/19/587471819.db2.gz JWGGRZFJLGVGIF-JGVFFNPUSA-N -1 3 216.281 0.306 20 0 BCADHM COC[C@@H]1CCN(CCNC(=O)[O-])C1 ZINC000828929712 587472947 /nfs/dbraw/zinc/47/29/47/587472947.db2.gz MCTJZSZDGAULEW-MRVPVSSYSA-N -1 3 202.254 0.222 20 0 BCADHM COCCN(CCNC(=O)[O-])CC(C)C ZINC000828979378 587477341 /nfs/dbraw/zinc/47/73/41/587477341.db2.gz GJFBOZRUNQXKCG-UHFFFAOYSA-N -1 3 218.297 0.858 20 0 BCADHM COCCN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000828992980 587477933 /nfs/dbraw/zinc/47/79/33/587477933.db2.gz UEALCAIYJRVWTP-SECBINFHSA-N -1 3 216.281 0.707 20 0 BCADHM COCCOCCN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000829001750 587478769 /nfs/dbraw/zinc/47/87/69/587478769.db2.gz DUSXGCNNHDHCJI-SNVBAGLBSA-N -1 3 246.307 0.334 20 0 BCADHM CC[C@@H](O)CN1CCN([C@H](CC)C(=O)[O-])CC1 ZINC000829004212 587478859 /nfs/dbraw/zinc/47/88/59/587478859.db2.gz CJEZZEXICGOHCP-GHMZBOCLSA-N -1 3 244.335 0.238 20 0 BCADHM CC[C@@H]1CCN(CC(=O)NCCC(=O)[O-])C1 ZINC000829126128 587483953 /nfs/dbraw/zinc/48/39/53/587483953.db2.gz UZOHRLTZZTVZIH-SECBINFHSA-N -1 3 228.292 0.309 20 0 BCADHM CC[C@@H]1CCN([C@H](C)C(=O)NCC(=O)[O-])C1 ZINC000829125172 587483980 /nfs/dbraw/zinc/48/39/80/587483980.db2.gz GZCOZPUOMUSPFJ-RKDXNWHRSA-N -1 3 228.292 0.308 20 0 BCADHM CCCN(C)CC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000829459487 587498834 /nfs/dbraw/zinc/49/88/34/587498834.db2.gz XMLFYBAJCOTBRO-SNVBAGLBSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@@H](C)CN1C(C)=C([O-])N(C)S1(=O)=O ZINC000829558892 587503571 /nfs/dbraw/zinc/50/35/71/587503571.db2.gz CWKQWEBKRSAMGO-SFYZADRCSA-N -1 3 234.321 0.440 20 0 BCADHM CCN1C[C@H](C)[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC000829746203 587513013 /nfs/dbraw/zinc/51/30/13/587513013.db2.gz WGQAUFWFEJAYBR-AATLWQCWSA-N -1 3 240.303 0.164 20 0 BCADHM CCN1C[C@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000829746209 587513344 /nfs/dbraw/zinc/51/33/44/587513344.db2.gz WGQAUFWFEJAYBR-SGIHWFKDSA-N -1 3 240.303 0.164 20 0 BCADHM CCN1CCC[C@H](NC(=O)[C@@H](C)CC(=O)[O-])C1 ZINC000829765338 587514557 /nfs/dbraw/zinc/51/45/57/587514557.db2.gz QDZPUFIXGCHLOR-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM CCOc1nc(NC(=O)[C@H](CC)OCC)n[n-]1 ZINC000830396958 587549176 /nfs/dbraw/zinc/54/91/76/587549176.db2.gz ASKRSMZCQLDXFO-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nnc(NC(=O)[C@H](CC)OCC)[n-]1 ZINC000830396958 587549178 /nfs/dbraw/zinc/54/91/78/587549178.db2.gz ASKRSMZCQLDXFO-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H](CC)OCC)n1 ZINC000830396958 587549179 /nfs/dbraw/zinc/54/91/79/587549179.db2.gz ASKRSMZCQLDXFO-ZETCQYMHSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nc(NC(=O)C2(OC)CCC2)n[n-]1 ZINC000830400506 587549373 /nfs/dbraw/zinc/54/93/73/587549373.db2.gz YDDQPQYQPCGILJ-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1nnc(NC(=O)C2(OC)CCC2)[n-]1 ZINC000830400506 587549374 /nfs/dbraw/zinc/54/93/74/587549374.db2.gz YDDQPQYQPCGILJ-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2(OC)CCC2)n1 ZINC000830400506 587549375 /nfs/dbraw/zinc/54/93/75/587549375.db2.gz YDDQPQYQPCGILJ-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1nnc(NC(=O)C2=CCCCO2)[n-]1 ZINC000830399253 587549915 /nfs/dbraw/zinc/54/99/15/587549915.db2.gz CNOLGZCBKIBQRL-UHFFFAOYSA-N -1 3 238.247 0.836 20 0 BCADHM CCOc1nc(NC(=O)C2=CCCCO2)n[n-]1 ZINC000830399253 587549916 /nfs/dbraw/zinc/54/99/16/587549916.db2.gz CNOLGZCBKIBQRL-UHFFFAOYSA-N -1 3 238.247 0.836 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2=CCCCO2)n1 ZINC000830399253 587549917 /nfs/dbraw/zinc/54/99/17/587549917.db2.gz CNOLGZCBKIBQRL-UHFFFAOYSA-N -1 3 238.247 0.836 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N[C@H]1C[C@@H](O)C1 ZINC000830555327 587558126 /nfs/dbraw/zinc/55/81/26/587558126.db2.gz UTVUFCIINUGRIP-DBJVDPROSA-N -1 3 234.255 0.440 20 0 BCADHM Cn1cc(C(C)(C)NCCNC(=O)[O-])cn1 ZINC000830989810 587580231 /nfs/dbraw/zinc/58/02/31/587580231.db2.gz UANCCQDAFNVELN-UHFFFAOYSA-N -1 3 226.280 0.512 20 0 BCADHM COC(=O)/C(C)=C/CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000831052879 587584205 /nfs/dbraw/zinc/58/42/05/587584205.db2.gz DMCLJOMCCJRTBN-GNKRQNHBSA-N -1 3 241.287 0.758 20 0 BCADHM COC(=O)/C(C)=C/CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000831052878 587584327 /nfs/dbraw/zinc/58/43/27/587584327.db2.gz DMCLJOMCCJRTBN-DQRKKKBRSA-N -1 3 241.287 0.758 20 0 BCADHM Cn1nncc1CNC[C@@H]1CCCN1C(=O)[O-] ZINC000831066839 587584662 /nfs/dbraw/zinc/58/46/62/587584662.db2.gz ZWXXQGLHKOLJBH-QMMMGPOBSA-N -1 3 239.279 0.047 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCCc1ccon1 ZINC000831108770 587586716 /nfs/dbraw/zinc/58/67/16/587586716.db2.gz SGUUPLXFQPBTLN-UHFFFAOYSA-N -1 3 247.254 0.677 20 0 BCADHM CC[C@@H](C[C@H](C)O)NC(=O)c1cc(=O)[n-]cn1 ZINC000831334791 587599630 /nfs/dbraw/zinc/59/96/30/587599630.db2.gz PRFMWCZLNYIWAD-YUMQZZPRSA-N -1 3 239.275 0.462 20 0 BCADHM CN(C(=O)c1ccc(N)cc1[O-])[C@@H]1CCOC1 ZINC000831346729 587599878 /nfs/dbraw/zinc/59/98/78/587599878.db2.gz NCMZOWBPYIVRDD-SECBINFHSA-N -1 3 236.271 0.835 20 0 BCADHM COC[C@](C)(CC(=O)[O-])NCc1cncn1C ZINC000831584102 587621683 /nfs/dbraw/zinc/62/16/83/587621683.db2.gz CODYFMUBGMLDJU-NSHDSACASA-N -1 3 241.291 0.390 20 0 BCADHM COC[C@@H](C)NCc1c[nH]c(C(=O)[O-])c1 ZINC000831643779 587625311 /nfs/dbraw/zinc/62/53/11/587625311.db2.gz POCKWNJRQIVAKZ-SSDOTTSWSA-N -1 3 212.249 0.837 20 0 BCADHM Cc1cc(C)cc(CC(=O)[N-]OCC(N)=O)c1 ZINC000831652134 587626621 /nfs/dbraw/zinc/62/66/21/587626621.db2.gz XSWPJTMLDIODJC-UHFFFAOYSA-N -1 3 236.271 0.379 20 0 BCADHM CNCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000831966884 587638426 /nfs/dbraw/zinc/63/84/26/587638426.db2.gz XNSAIZKQXULTMA-UHFFFAOYSA-N -1 3 215.640 0.599 20 0 BCADHM O=C([O-])N1CC[C@@H](NC[C@H](O)C(F)(F)F)C1 ZINC000831953960 587638548 /nfs/dbraw/zinc/63/85/48/587638548.db2.gz WFELKUKBQZUGQQ-RITPCOANSA-N -1 3 242.197 0.252 20 0 BCADHM O=C([O-])N1CC[C@@H](NCc2cc[nH]c2)C1 ZINC000831958292 587638776 /nfs/dbraw/zinc/63/87/76/587638776.db2.gz BAWZZMWXJGKJCH-SECBINFHSA-N -1 3 209.249 0.857 20 0 BCADHM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1CCO ZINC000831996599 587642316 /nfs/dbraw/zinc/64/23/16/587642316.db2.gz HSSYFHIMTDUNPN-MNOVXSKESA-N -1 3 242.319 0.976 20 0 BCADHM O=C([O-])N1CCC[C@H]1C1CCN(CCO)CC1 ZINC000832007130 587642814 /nfs/dbraw/zinc/64/28/14/587642814.db2.gz XRRKFBUUXVFBFB-NSHDSACASA-N -1 3 242.319 0.833 20 0 BCADHM O=C([O-])NC1CCN(C[C@@H]2COCCO2)CC1 ZINC000832386536 587657086 /nfs/dbraw/zinc/65/70/86/587657086.db2.gz FKZLZJWQWDVLPC-SNVBAGLBSA-N -1 3 244.291 0.134 20 0 BCADHM Cc1ccn([C@@H](C)CC(=O)[N-]OCCO)n1 ZINC000832406207 587658751 /nfs/dbraw/zinc/65/87/51/587658751.db2.gz SSYUFNQMKFWLHG-VIFPVBQESA-N -1 3 227.264 0.183 20 0 BCADHM O=C([O-])NC[C@H]1CCC[C@H]1NCc1ncc[nH]1 ZINC000832484823 587662931 /nfs/dbraw/zinc/66/29/31/587662931.db2.gz YNWWSEVICLESHX-RKDXNWHRSA-N -1 3 238.291 0.936 20 0 BCADHM O=C([O-])NC[C@@H]1CCC[C@@H]1NCc1ncc[nH]1 ZINC000832484822 587663312 /nfs/dbraw/zinc/66/33/12/587663312.db2.gz YNWWSEVICLESHX-IUCAKERBSA-N -1 3 238.291 0.936 20 0 BCADHM O=C([O-])NC[C@H]1CCCN1C[C@@H]1CCCO1 ZINC000832572234 587666447 /nfs/dbraw/zinc/66/64/47/587666447.db2.gz ACGVQLHRFKGWGA-ZJUUUORDSA-N -1 3 228.292 0.897 20 0 BCADHM O=C([O-])NCCN1CCC[C@H](CCO)C1 ZINC000832641732 587672119 /nfs/dbraw/zinc/67/21/19/587672119.db2.gz HLDGZSLFEIEFBL-SECBINFHSA-N -1 3 216.281 0.348 20 0 BCADHM COc1coc(CNC(C)(C)C(=O)[O-])cc1=O ZINC000832642975 587672743 /nfs/dbraw/zinc/67/27/43/587672743.db2.gz MCLMBPLGUUEIIJ-UHFFFAOYSA-N -1 3 241.243 0.601 20 0 BCADHM O=C([O-])NCCN1CC[C@@]2(CCOC2)C1 ZINC000832642434 587672936 /nfs/dbraw/zinc/67/29/36/587672936.db2.gz ZAZPHTKJGFGYIR-SNVBAGLBSA-N -1 3 214.265 0.366 20 0 BCADHM O=C([O-])Nc1ccc(CNCCCO)cn1 ZINC000832841477 587693049 /nfs/dbraw/zinc/69/30/49/587693049.db2.gz CLVORQYMNLCHCE-UHFFFAOYSA-N -1 3 225.248 0.644 20 0 BCADHM O=C([O-])[C@@]1(F)CCN(CCN2CCCCC2)C1 ZINC000833174110 587700761 /nfs/dbraw/zinc/70/07/61/587700761.db2.gz AZLVPETYGAVOJT-GFCCVEGCSA-N -1 3 244.310 0.971 20 0 BCADHM O=C([O-])C[C@H]1CCCN1CN1CCOC1=S ZINC000833210642 587702386 /nfs/dbraw/zinc/70/23/86/587702386.db2.gz NPFPOEAOQNREBX-MRVPVSSYSA-N -1 3 244.316 0.500 20 0 BCADHM O=C([O-])CC1(NCc2ccno2)CCOCC1 ZINC000833205941 587702623 /nfs/dbraw/zinc/70/26/23/587702623.db2.gz RKDIOOIXZVPXHM-UHFFFAOYSA-N -1 3 240.259 0.788 20 0 BCADHM O=C([O-])CCN(CCF)C1CCOCC1 ZINC000833232649 587702798 /nfs/dbraw/zinc/70/27/98/587702798.db2.gz FKRKLEQQLSMCQU-UHFFFAOYSA-N -1 3 219.256 0.912 20 0 BCADHM O=C([O-])c1cc(CNC[C@H]2CCCO2)c[nH]1 ZINC000833296799 587705166 /nfs/dbraw/zinc/70/51/66/587705166.db2.gz XUQHWHQZKNYUQJ-SECBINFHSA-N -1 3 224.260 0.982 20 0 BCADHM O=C([O-])c1cc(CNC[C@@H]2CCCO2)c[nH]1 ZINC000833296800 587705556 /nfs/dbraw/zinc/70/55/56/587705556.db2.gz XUQHWHQZKNYUQJ-VIFPVBQESA-N -1 3 224.260 0.982 20 0 BCADHM O=C([O-])c1cc(CN2CCC[C@H](CO)C2)c[nH]1 ZINC000833296670 587705569 /nfs/dbraw/zinc/70/55/69/587705569.db2.gz ORVYIBLMOYPTPP-VIFPVBQESA-N -1 3 238.287 0.917 20 0 BCADHM C[C@H](CN(C[C@@H]1CNC(=O)O1)C1CC1)C(=O)[O-] ZINC000833515969 587718060 /nfs/dbraw/zinc/71/80/60/587718060.db2.gz CBPTUHKRXLTPPN-APPZFPTMSA-N -1 3 242.275 0.280 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN(C)CC[C@@H](C)O)O1 ZINC000833575727 587720882 /nfs/dbraw/zinc/72/08/82/587720882.db2.gz BYGUMGHCVKLBTR-SCZZXKLOSA-N -1 3 243.303 0.837 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@H]2CO)O1 ZINC000833582548 587721512 /nfs/dbraw/zinc/72/15/12/587721512.db2.gz DGXYGHVWADMVQQ-VHSXEESVSA-N -1 3 241.287 0.591 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN(CCO)C2CC2)O1 ZINC000833584108 587721598 /nfs/dbraw/zinc/72/15/98/587721598.db2.gz NUVBVXNEBDGNEK-SNVBAGLBSA-N -1 3 241.287 0.591 20 0 BCADHM CC[C@H](C(=O)N(CC)CC(=O)[O-])N(C)C ZINC000833636252 587725592 /nfs/dbraw/zinc/72/55/92/587725592.db2.gz MNVVNLCEPGYRGT-MRVPVSSYSA-N -1 3 216.281 0.260 20 0 BCADHM CCN(CC1CC1)CN1C[C@H](C(=O)[O-])CC1=O ZINC000833654378 587726891 /nfs/dbraw/zinc/72/68/91/587726891.db2.gz NAQXQJWXHCUQOI-SNVBAGLBSA-N -1 3 240.303 0.609 20 0 BCADHM CN(C)C[C@H]1CN([C@H](C(=O)[O-])C2CC2)CCO1 ZINC000833689177 587728033 /nfs/dbraw/zinc/72/80/33/587728033.db2.gz OOSOQNZRZYNOOY-QWRGUYRKSA-N -1 3 242.319 0.112 20 0 BCADHM COC[C@](C)(CO)NCc1c[nH]c(C(=O)[O-])c1 ZINC000833721378 587728979 /nfs/dbraw/zinc/72/89/79/587728979.db2.gz ODFJRPVSEXLLBE-NSHDSACASA-N -1 3 242.275 0.200 20 0 BCADHM CN(Cc1ccc(C(=O)[O-])[nH]1)CC(C)(C)O ZINC000833696959 587729034 /nfs/dbraw/zinc/72/90/34/587729034.db2.gz ZGCLDQJFVXVVOU-UHFFFAOYSA-N -1 3 226.276 0.916 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@H]1CC1(Cl)Cl ZINC000833859144 587736855 /nfs/dbraw/zinc/73/68/55/587736855.db2.gz ATEIGXGWJGYHLV-ZCFIWIBFSA-N -1 3 241.118 0.790 20 0 BCADHM CN(CCNC(=O)[O-])[C@@H]1CCSC1 ZINC000833872186 587737194 /nfs/dbraw/zinc/73/71/94/587737194.db2.gz HCZXOXGIQGLWTP-SSDOTTSWSA-N -1 3 204.295 0.691 20 0 BCADHM CN(CCNC(=O)[O-])CCc1ccncc1 ZINC000833871792 587737400 /nfs/dbraw/zinc/73/74/00/587737400.db2.gz AJCSOCKVXGETSC-UHFFFAOYSA-N -1 3 223.276 0.824 20 0 BCADHM CNC(=O)CCN1CCN(C(=O)[O-])[C@@H](C)[C@@H]1C ZINC000833875592 587737763 /nfs/dbraw/zinc/73/77/63/587737763.db2.gz WYOVPFBBHMZABG-IUCAKERBSA-N -1 3 243.307 0.195 20 0 BCADHM NC(=O)CN[C@H](CNC(=O)[O-])C1CCCCC1 ZINC000833985633 587741743 /nfs/dbraw/zinc/74/17/43/587741743.db2.gz SLSDAOGUSVVNOH-SECBINFHSA-N -1 3 243.307 0.278 20 0 BCADHM O=C([O-])N1CC(N[C@@H]2CCCSC2)C1 ZINC000834070353 587743886 /nfs/dbraw/zinc/74/38/86/587743886.db2.gz WFQFZNZTAMXAFQ-SSDOTTSWSA-N -1 3 216.306 0.834 20 0 BCADHM O=C([O-])N1CC[C@@H](CNCc2cc[nH]n2)C1 ZINC000834078797 587744488 /nfs/dbraw/zinc/74/44/88/587744488.db2.gz VIPQFQTXCGZCAJ-QMMMGPOBSA-N -1 3 224.264 0.499 20 0 BCADHM O=C([O-])N1CCC[C@@H](NC2CSC2)C1 ZINC000834105912 587745728 /nfs/dbraw/zinc/74/57/28/587745728.db2.gz ZZSIABBFWMQOHD-SSDOTTSWSA-N -1 3 216.306 0.834 20 0 BCADHM O=C([O-])N1CCC[C@H]1CN(CCCO)C1CC1 ZINC000834111459 587746192 /nfs/dbraw/zinc/74/61/92/587746192.db2.gz MQYHRVKPRVKFCI-NSHDSACASA-N -1 3 242.319 0.976 20 0 BCADHM O=C([O-])N[C@@H]1CCN(CCCn2ccnc2)C1 ZINC000834190834 587748622 /nfs/dbraw/zinc/74/86/22/587748622.db2.gz UZKJMJTXJUPQLS-SNVBAGLBSA-N -1 3 238.291 0.615 20 0 BCADHM O=C([O-])NCCN1CCC(c2c[nH]cn2)CC1 ZINC000834239551 587749682 /nfs/dbraw/zinc/74/96/82/587749682.db2.gz NGUYBKNEHBZLJU-UHFFFAOYSA-N -1 3 238.291 0.857 20 0 BCADHM O=C([O-])NCCN1CC[C@@H](C(F)F)C1 ZINC000834239359 587749801 /nfs/dbraw/zinc/74/98/01/587749801.db2.gz LQAXTBJGEMHWMI-ZCFIWIBFSA-N -1 3 208.208 0.841 20 0 BCADHM CC(C)(O)CCC(=O)[N-]OCC(C)(C)O ZINC000834621245 587761205 /nfs/dbraw/zinc/76/12/05/587761205.db2.gz BIUOYWHBEGPBJQ-UHFFFAOYSA-N -1 3 219.281 0.356 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C[C@H]1CCCC[C@@H]1O ZINC000834622117 587761210 /nfs/dbraw/zinc/76/12/10/587761210.db2.gz PJFKLKJMMBGYOA-ZJUUUORDSA-N -1 3 245.319 0.746 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC000834621578 587761428 /nfs/dbraw/zinc/76/14/28/587761428.db2.gz HDSKZTNCBCLISM-LDYMZIIASA-N -1 3 229.276 0.232 20 0 BCADHM CCCN1CCC[C@H]1C(=O)[N-]OCC(C)(C)O ZINC000834624565 587761550 /nfs/dbraw/zinc/76/15/50/587761550.db2.gz IQALSXXLIJQWDN-JTQLQIEISA-N -1 3 244.335 0.680 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2c[n-]nn2)CCS1 ZINC000834682495 587764138 /nfs/dbraw/zinc/76/41/38/587764138.db2.gz HQQGXYDQWCWUOZ-BQBZGAKWSA-N -1 3 226.305 0.819 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cnn[n-]2)CCS1 ZINC000834682495 587764139 /nfs/dbraw/zinc/76/41/39/587764139.db2.gz HQQGXYDQWCWUOZ-BQBZGAKWSA-N -1 3 226.305 0.819 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)CCS1 ZINC000834682495 587764140 /nfs/dbraw/zinc/76/41/40/587764140.db2.gz HQQGXYDQWCWUOZ-BQBZGAKWSA-N -1 3 226.305 0.819 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCC1CC1 ZINC000836803833 587837541 /nfs/dbraw/zinc/83/75/41/587837541.db2.gz QRQNUHBWFBGBMF-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM CC(C)(CO)O[N-]C(=O)Cc1ccc(O)cc1 ZINC000836805292 587837897 /nfs/dbraw/zinc/83/78/97/587837897.db2.gz YCBTXOWYZBSVID-UHFFFAOYSA-N -1 3 239.271 0.753 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1CC12CCC2 ZINC000836805254 587837991 /nfs/dbraw/zinc/83/79/91/587837991.db2.gz WPRQKWQRHAXCHS-MRVPVSSYSA-N -1 3 213.277 0.995 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@@H]1CCCSC1 ZINC000836805965 587838243 /nfs/dbraw/zinc/83/82/43/587838243.db2.gz KRILZYQITTWWDQ-MRVPVSSYSA-N -1 3 233.333 0.948 20 0 BCADHM CC[C@H](C(=O)[N-]O[C@H](CO)C(C)C)N(C)C ZINC000836888778 587841231 /nfs/dbraw/zinc/84/12/31/587841231.db2.gz BRIOACYEBJDXNW-NXEZZACHSA-N -1 3 232.324 0.391 20 0 BCADHM CC[C@H](C(=O)[N-]O[C@@H](CO)C(C)C)N(C)C ZINC000836888781 587841252 /nfs/dbraw/zinc/84/12/52/587841252.db2.gz BRIOACYEBJDXNW-ZJUUUORDSA-N -1 3 232.324 0.391 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C[C@@](C)(O)C1CC1 ZINC000836894307 587841933 /nfs/dbraw/zinc/84/19/33/587841933.db2.gz PYNNYOKIQITQDZ-CMPLNLGQSA-N -1 3 245.319 0.602 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@H]1CCCN1C ZINC000836897379 587842009 /nfs/dbraw/zinc/84/20/09/587842009.db2.gz WUOKIZSEVAWYLN-NXEZZACHSA-N -1 3 230.308 0.145 20 0 BCADHM CCOCCCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836901951 587842311 /nfs/dbraw/zinc/84/23/11/587842311.db2.gz XLCSYDITHVFIHF-JTQLQIEISA-N -1 3 233.308 0.868 20 0 BCADHM CCOCCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836899298 587842340 /nfs/dbraw/zinc/84/23/40/587842340.db2.gz ZPBWGECZFUZENN-VIFPVBQESA-N -1 3 219.281 0.478 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C1(N(C)C)CCC1 ZINC000836901754 587842542 /nfs/dbraw/zinc/84/25/42/587842542.db2.gz ZTBGULFZZJTAQY-JTQLQIEISA-N -1 3 244.335 0.535 20 0 BCADHM CCOCCCCCC(=O)[N-]OCC(N)=O ZINC000867203962 587846345 /nfs/dbraw/zinc/84/63/45/587846345.db2.gz QQECZMUCLGWRNP-UHFFFAOYSA-N -1 3 232.280 0.116 20 0 BCADHM CC(C)C[C@@H](C)OC(=O)CN1CC(=O)[N-]C1=O ZINC000837514996 587879231 /nfs/dbraw/zinc/87/92/31/587879231.db2.gz PSIJCYZHGMMBEC-MRVPVSSYSA-N -1 3 242.275 0.516 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000837675617 587889757 /nfs/dbraw/zinc/88/97/57/587889757.db2.gz BTCSYYVEFXPCLR-IVZWLZJFSA-N -1 3 240.303 0.211 20 0 BCADHM COC1(COC(=O)c2n[n-]nc2C)CCC1 ZINC000837693175 587891363 /nfs/dbraw/zinc/89/13/63/587891363.db2.gz VMGYRDPJXAHCNJ-UHFFFAOYSA-N -1 3 225.248 0.839 20 0 BCADHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C[C@H]1C ZINC000867244200 587908527 /nfs/dbraw/zinc/90/85/27/587908527.db2.gz NTBKIDDGMRXGRV-FWXDICJISA-N -1 3 240.350 0.347 20 0 BCADHM CCCS(=O)(=O)[N-][C@H]1C(=O)OCC1(C)C ZINC000841534943 587958329 /nfs/dbraw/zinc/95/83/29/587958329.db2.gz OLJXVSGPBIHDOI-ZETCQYMHSA-N -1 3 235.305 0.267 20 0 BCADHM Cn1ncc(CO[N-]C(=O)CC(C)(C)C)n1 ZINC000842062129 587994728 /nfs/dbraw/zinc/99/47/28/587994728.db2.gz YIRGYAUWSFMOEF-UHFFFAOYSA-N -1 3 226.280 0.799 20 0 BCADHM CC(=O)[N-]OCc1nc(C2CC2)nn1C ZINC000842647705 588048301 /nfs/dbraw/zinc/04/83/01/588048301.db2.gz CBJAAYWKTIPGAX-UHFFFAOYSA-N -1 3 210.237 0.260 20 0 BCADHM O=C([N-]N1C(=O)c2ccccc2C1=O)C1(F)CC1 ZINC000843516266 588118488 /nfs/dbraw/zinc/11/84/88/588118488.db2.gz SJSXNQRTPRQNAG-UHFFFAOYSA-N -1 3 248.213 0.816 20 0 BCADHM CCO[N-]C(=O)Cc1cnn2ccccc12 ZINC000843761937 588138094 /nfs/dbraw/zinc/13/80/94/588138094.db2.gz SNDNLSYRNXXWEQ-UHFFFAOYSA-N -1 3 219.244 0.945 20 0 BCADHM COCCO[N-]C(=O)[C@H]1CCC(=O)C1 ZINC000843815761 588142370 /nfs/dbraw/zinc/14/23/70/588142370.db2.gz XMYPJPYXRXNISF-ZETCQYMHSA-N -1 3 201.222 0.050 20 0 BCADHM COC(=O)C12CC(C(=O)[N-]OCC(F)F)(C1)C2 ZINC000843854500 588145454 /nfs/dbraw/zinc/14/54/54/588145454.db2.gz SILAAMPDRLJHPY-UHFFFAOYSA-N -1 3 249.213 0.643 20 0 BCADHM CSCCO[N-]C(=O)[C@@H]1CCC(=O)C1 ZINC000843875634 588146979 /nfs/dbraw/zinc/14/69/79/588146979.db2.gz MRBGZZXOHVIUPZ-SSDOTTSWSA-N -1 3 217.290 0.766 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1CCc2nccn2C1 ZINC000844084189 588162856 /nfs/dbraw/zinc/16/28/56/588162856.db2.gz FNRXZOIALNKKCK-SECBINFHSA-N -1 3 223.276 0.903 20 0 BCADHM CCCO[N-]C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000844086034 588163636 /nfs/dbraw/zinc/16/36/36/588163636.db2.gz UEWHHGLPDBFYNH-LLVKDONJSA-N -1 3 228.292 0.893 20 0 BCADHM CCCO[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000844085703 588163859 /nfs/dbraw/zinc/16/38/59/588163859.db2.gz JVGJRJMSDAKFAI-VIFPVBQESA-N -1 3 232.349 0.882 20 0 BCADHM CCCO[N-]C(=O)CCCC(=O)N(C)C ZINC000844086784 588164573 /nfs/dbraw/zinc/16/45/73/588164573.db2.gz QBTDZYMQVZAVNK-UHFFFAOYSA-N -1 3 216.281 0.703 20 0 BCADHM CCCO[N-]C(=O)C[C@H]1CCOC[C@H]1OC ZINC000844090372 588166202 /nfs/dbraw/zinc/16/62/02/588166202.db2.gz OVMRTWVKFPXPII-NXEZZACHSA-N -1 3 231.292 0.886 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000844090285 588166365 /nfs/dbraw/zinc/16/63/65/588166365.db2.gz KXGGYPKZNUSELK-VHSXEESVSA-N -1 3 223.276 0.981 20 0 BCADHM CC(C)O[N-]C(=O)[C@@H]1CCc2cncn2C1 ZINC000844143279 588170199 /nfs/dbraw/zinc/17/01/99/588170199.db2.gz AVTSXRCDXPWIGA-SECBINFHSA-N -1 3 223.276 0.902 20 0 BCADHM CCCO[N-]C(=O)[C@H]1CCc2cncn2C1 ZINC000844149987 588170504 /nfs/dbraw/zinc/17/05/04/588170504.db2.gz FKQSCYAYAYWJFA-VIFPVBQESA-N -1 3 223.276 0.903 20 0 BCADHM O=C([N-]OCC1CC1)[C@H]1CCc2cncn2C1 ZINC000844144335 588170671 /nfs/dbraw/zinc/17/06/71/588170671.db2.gz RZVRPAXWLUVYJR-JTQLQIEISA-N -1 3 235.287 0.903 20 0 BCADHM O=C([N-][C@H]1C[C@H]2CCCCN2C1=O)C(F)F ZINC000844558930 588202507 /nfs/dbraw/zinc/20/25/07/588202507.db2.gz DLUKTZKZTKJVAF-RQJHMYQMSA-N -1 3 232.230 0.521 20 0 BCADHM C[C@@H]([N-]C(=O)C(F)F)c1ccn(C)n1 ZINC000844566948 588203053 /nfs/dbraw/zinc/20/30/53/588203053.db2.gz LEHIOGZPFKDIGZ-RXMQYKEDSA-N -1 3 203.192 0.862 20 0 BCADHM CCn1ncc(C(=O)[N-]c2ncn(C(C)C)n2)n1 ZINC000844735596 588215518 /nfs/dbraw/zinc/21/55/18/588215518.db2.gz JNCJYCDEWBBENX-UHFFFAOYSA-N -1 3 249.278 0.723 20 0 BCADHM CCNCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000844934597 588219601 /nfs/dbraw/zinc/21/96/01/588219601.db2.gz GWTZLEQUFYBVEZ-SECBINFHSA-N -1 3 244.335 0.992 20 0 BCADHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCC1 ZINC000867377032 588220465 /nfs/dbraw/zinc/22/04/65/588220465.db2.gz XUBYGMVELUCXEG-CYBMUJFWSA-N -1 3 240.350 0.491 20 0 BCADHM CCO[N-]C(=O)Cc1cn2c(n1)CCCC2 ZINC000845141591 588222355 /nfs/dbraw/zinc/22/23/55/588222355.db2.gz SBFCBYKMRVJSJJ-UHFFFAOYSA-N -1 3 223.276 0.830 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1cc2n(n1)CCC2 ZINC000845159027 588222801 /nfs/dbraw/zinc/22/28/01/588222801.db2.gz USXTZJDUARAIER-UHFFFAOYSA-N -1 3 247.258 0.613 20 0 BCADHM CC(C)(C)CCOC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845366494 588228170 /nfs/dbraw/zinc/22/81/70/588228170.db2.gz GRJHLZVSSOPFSV-QMMMGPOBSA-N -1 3 249.332 0.658 20 0 BCADHM CCCCCCOC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845372035 588228225 /nfs/dbraw/zinc/22/82/25/588228225.db2.gz XTAAUKDQEFLERF-SECBINFHSA-N -1 3 249.332 0.802 20 0 BCADHM CCC[C@@H](C)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845371335 588228309 /nfs/dbraw/zinc/22/83/09/588228309.db2.gz CTBIKCLIVZKGPF-SFYZADRCSA-N -1 3 235.305 0.410 20 0 BCADHM CC(C)CCCOC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845375159 588228311 /nfs/dbraw/zinc/22/83/11/588228311.db2.gz JBKFUDHWXUXLEQ-VIFPVBQESA-N -1 3 249.332 0.658 20 0 BCADHM CCC[C@H](C)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845371337 588228414 /nfs/dbraw/zinc/22/84/14/588228414.db2.gz CTBIKCLIVZKGPF-YUMQZZPRSA-N -1 3 235.305 0.410 20 0 BCADHM O=C(OCC1CCC1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845373484 588228422 /nfs/dbraw/zinc/22/84/22/588228422.db2.gz SKNNPBZCHUSVHX-MRVPVSSYSA-N -1 3 233.289 0.021 20 0 BCADHM O=C(O[C@H]1C=CCCC1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845370717 588228449 /nfs/dbraw/zinc/22/84/49/588228449.db2.gz ARQWRAUWISHBQI-IUCAKERBSA-N -1 3 245.300 0.330 20 0 BCADHM O=C(OCC1=CCCC1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845376169 588228499 /nfs/dbraw/zinc/22/84/99/588228499.db2.gz NULXHWBLHYBKCL-SECBINFHSA-N -1 3 245.300 0.332 20 0 BCADHM CCC[C@H](CC)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845493372 588230753 /nfs/dbraw/zinc/23/07/53/588230753.db2.gz INGUOGKNGMWWIQ-DTWKUNHWSA-N -1 3 249.332 0.800 20 0 BCADHM O=C(OCC1CC=CC1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845493582 588230811 /nfs/dbraw/zinc/23/08/11/588230811.db2.gz KUIJODPZBCTDET-SECBINFHSA-N -1 3 245.300 0.188 20 0 BCADHM COCCO[N-]C(=O)C[C@@H](C)n1ccnc1 ZINC000845717966 588242597 /nfs/dbraw/zinc/24/25/97/588242597.db2.gz IWALTVSOYCJYCX-SECBINFHSA-N -1 3 227.264 0.528 20 0 BCADHM CCC[C@H](C)S(=O)(=O)[N-][C@H]1CCOC1=O ZINC000845794906 588245515 /nfs/dbraw/zinc/24/55/15/588245515.db2.gz YRLINCGDJJATTL-YUMQZZPRSA-N -1 3 235.305 0.410 20 0 BCADHM O=C([N-]OCCO)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845957464 588251668 /nfs/dbraw/zinc/25/16/68/588251668.db2.gz TYKPUORIXAKXBC-KXUCPTDWSA-N -1 3 211.261 0.629 20 0 BCADHM CCOCCO[N-]C(=O)/C=C(\C)COC ZINC000845957847 588251726 /nfs/dbraw/zinc/25/17/26/588251726.db2.gz GAJJBGVVCGVEMZ-VQHVLOKHSA-N -1 3 217.265 0.663 20 0 BCADHM CCO[N-]C(=O)CNCc1cn(C)nc1CC ZINC000846084102 588255881 /nfs/dbraw/zinc/25/58/81/588255881.db2.gz CDILYIGXBBKGSM-UHFFFAOYSA-N -1 3 240.307 0.140 20 0 BCADHM CCO[N-]C(=O)CNCc1scnc1C ZINC000846089598 588256137 /nfs/dbraw/zinc/25/61/37/588256137.db2.gz UJOPHCFEURVZET-UHFFFAOYSA-N -1 3 229.305 0.609 20 0 BCADHM CCO[N-]C(=O)CNCc1cnn2ccccc12 ZINC000846089765 588256298 /nfs/dbraw/zinc/25/62/98/588256298.db2.gz VIKNSMDCGYCDTJ-UHFFFAOYSA-N -1 3 248.286 0.492 20 0 BCADHM COCCN(CCC(=O)[O-])C[C@@H]1CC[C@H](C)O1 ZINC000846270423 588262420 /nfs/dbraw/zinc/26/24/20/588262420.db2.gz WVULIRCJTCWLLJ-QWRGUYRKSA-N -1 3 245.319 0.977 20 0 BCADHM COCCN(CCC(=O)[O-])C[C@@H]1CC[C@@H](C)O1 ZINC000846270422 588262639 /nfs/dbraw/zinc/26/26/39/588262639.db2.gz WVULIRCJTCWLLJ-MNOVXSKESA-N -1 3 245.319 0.977 20 0 BCADHM COCCN(CCOC1CCC1)CCC(=O)[O-] ZINC000846271858 588263518 /nfs/dbraw/zinc/26/35/18/588263518.db2.gz OEJPDQHLOJWEKU-UHFFFAOYSA-N -1 3 245.319 0.979 20 0 BCADHM CC[C@@](C)(OC)C(=O)[N-]OC1CCN(C)CC1 ZINC000846649297 588280708 /nfs/dbraw/zinc/28/07/08/588280708.db2.gz GMRDHGXFOGKCNK-GFCCVEGCSA-N -1 3 244.335 0.944 20 0 BCADHM CCC(F)(F)C(=O)[N-]CC(=O)NCC(F)F ZINC000846986226 588300205 /nfs/dbraw/zinc/30/02/05/588300205.db2.gz JFJUAKGZPZLLJM-UHFFFAOYSA-N -1 3 244.188 0.529 20 0 BCADHM CONC(=O)c1c[n-]nc1-c1cccnc1 ZINC000107046098 588326310 /nfs/dbraw/zinc/32/63/10/588326310.db2.gz GINBUDUQWVLSQH-UHFFFAOYSA-N -1 3 218.216 0.763 20 0 BCADHM CONC(=O)c1cn[n-]c1-c1cccnc1 ZINC000107046098 588326311 /nfs/dbraw/zinc/32/63/11/588326311.db2.gz GINBUDUQWVLSQH-UHFFFAOYSA-N -1 3 218.216 0.763 20 0 BCADHM CC1=NC(=O)NC1C(=O)[N-]OCC(F)F ZINC000847734692 588328192 /nfs/dbraw/zinc/32/81/92/588328192.db2.gz IEUMSINVUNOSCM-UHFFFAOYSA-N -1 3 221.163 0.350 20 0 BCADHM CCOCCO[N-]C(=O)CN1CC[C@H](C)C1 ZINC000847754267 588329080 /nfs/dbraw/zinc/32/90/80/588329080.db2.gz QNUGBWHKQSINIP-JTQLQIEISA-N -1 3 230.308 0.413 20 0 BCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OC1CCCCC1 ZINC000847773216 588329582 /nfs/dbraw/zinc/32/95/82/588329582.db2.gz YLPPMROTBOIXRP-ZJUUUORDSA-N -1 3 240.303 0.878 20 0 BCADHM COCCCO[N-]C(=O)C1NC(=O)N=C1C ZINC000848068683 588353169 /nfs/dbraw/zinc/35/31/69/588353169.db2.gz NBWDCCCADAWOFN-UHFFFAOYSA-N -1 3 229.236 0.122 20 0 BCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OCCC1CC1 ZINC000848129218 588359536 /nfs/dbraw/zinc/35/95/36/588359536.db2.gz PGNGSNKXKHZKRY-RKDXNWHRSA-N -1 3 226.276 0.346 20 0 BCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OCCC1CC1 ZINC000848129214 588359579 /nfs/dbraw/zinc/35/95/79/588359579.db2.gz PGNGSNKXKHZKRY-BDAKNGLRSA-N -1 3 226.276 0.346 20 0 BCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OC1CCC1 ZINC000848162265 588362516 /nfs/dbraw/zinc/36/25/16/588362516.db2.gz JSIUPZZOTMZRDQ-HTQZYQBOSA-N -1 3 212.249 0.098 20 0 BCADHM Cc1nonc1CNC(=O)Cc1cncc([O-])c1 ZINC000848370257 588374207 /nfs/dbraw/zinc/37/42/07/588374207.db2.gz PSCHPWGKQGJPJM-UHFFFAOYSA-N -1 3 248.242 0.338 20 0 BCADHM C[C@@H](C(=O)[O-])N(C(=O)[C@]1(F)CCNC1)C1CC1 ZINC000849365747 588475957 /nfs/dbraw/zinc/47/59/57/588475957.db2.gz BLUJCTOANSMWEE-CPCISQLKSA-N -1 3 244.266 0.152 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)OCC1CC=CC1 ZINC000849727177 588490460 /nfs/dbraw/zinc/49/04/60/588490460.db2.gz BBCSOTFIRUONEB-UHFFFAOYSA-N -1 3 238.243 0.048 20 0 BCADHM Cc1n[n-]nc1C(=O)O[C@@H]1COC(C)(C)C1 ZINC000849768423 588496071 /nfs/dbraw/zinc/49/60/71/588496071.db2.gz NHQIEWROUJIPAF-ZETCQYMHSA-N -1 3 225.248 0.837 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@H](O)C(C)C ZINC000849769378 588496430 /nfs/dbraw/zinc/49/64/30/588496430.db2.gz WRUFSHLZEBCDEF-ZETCQYMHSA-N -1 3 213.237 0.287 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CC1CC=CC1 ZINC000849896466 588508610 /nfs/dbraw/zinc/50/86/10/588508610.db2.gz XPZSZCAUYGXHJR-MRVPVSSYSA-N -1 3 244.316 0.360 20 0 BCADHM CNC(=O)c1nnc2ccccc2c1[O-] ZINC000109931701 588602308 /nfs/dbraw/zinc/60/23/08/588602308.db2.gz FCOZOLKNPOBPNM-UHFFFAOYSA-N -1 3 203.201 0.283 20 0 BCADHM CN(CCN1CCCC1)Cc1n[n-]c(=O)o1 ZINC000852192545 588671262 /nfs/dbraw/zinc/67/12/62/588671262.db2.gz VBZNBFWXWMFQRB-UHFFFAOYSA-N -1 3 226.280 0.303 20 0 BCADHM Cc1cc(=O)[n-]c(CN2C[C@@H]3COC[C@@]3(C)C2)n1 ZINC000852534614 588688544 /nfs/dbraw/zinc/68/85/44/588688544.db2.gz NQEYEZUJIJHSKJ-ZWNOBZJWSA-N -1 3 249.314 0.959 20 0 BCADHM Cc1cccc([C@@H]2C[C@H]2C(=O)[N-]OCC(N)=O)c1 ZINC000860579473 589107690 /nfs/dbraw/zinc/10/76/90/589107690.db2.gz JTJMQJIGGXNWBK-WDEREUQCSA-N -1 3 248.282 0.632 20 0 BCADHM C[C@H](C(=O)[N-]OC1CCCC1)[C@@H]1CCC(=O)N1 ZINC000860602848 589109316 /nfs/dbraw/zinc/10/93/16/589109316.db2.gz YLSMVIJOIMMWKY-WPRPVWTQSA-N -1 3 240.303 0.892 20 0 BCADHM C[C@@H](C(=O)[N-]OCC(F)F)[C@@H]1CCC(=O)N1 ZINC000860812175 589121886 /nfs/dbraw/zinc/12/18/86/589121886.db2.gz RITGBUQELVTKPK-RITPCOANSA-N -1 3 236.218 0.214 20 0 BCADHM Cc1cccc([O-])c1C(=O)NOCCO ZINC000860938814 589135227 /nfs/dbraw/zinc/13/52/27/589135227.db2.gz BWQUVBPZLSFYEG-UHFFFAOYSA-N -1 3 211.217 0.354 20 0 BCADHM O=C([N-]OCCO)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000860939056 589135695 /nfs/dbraw/zinc/13/56/95/589135695.db2.gz NKGYAUUICWSAST-GRYCIOLGSA-N -1 3 233.267 0.612 20 0 BCADHM O=C([N-]OCCO)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000860939059 589135781 /nfs/dbraw/zinc/13/57/81/589135781.db2.gz NKGYAUUICWSAST-QJPTWQEYSA-N -1 3 233.267 0.612 20 0 BCADHM CC1(C)[C@H](O)CCN1C(=O)c1cc(=O)[n-]cn1 ZINC000861788418 589178463 /nfs/dbraw/zinc/17/84/63/589178463.db2.gz HRNJORGHAHUTLX-MRVPVSSYSA-N -1 3 237.259 0.168 20 0 BCADHM NC(=O)c1ccc(CC(=O)[N-]OCC2CC2)cn1 ZINC000861824899 589179695 /nfs/dbraw/zinc/17/96/95/589179695.db2.gz YHSNUOXHPLPAKQ-UHFFFAOYSA-N -1 3 249.270 0.181 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C12CC(C1)C2 ZINC000861907749 589182845 /nfs/dbraw/zinc/18/28/45/589182845.db2.gz VGWNFEOMJCFMAU-INWMGODYSA-N -1 3 213.277 0.851 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@H]1COCO1 ZINC000861982658 589189554 /nfs/dbraw/zinc/18/95/54/589189554.db2.gz IWSZGJIBGQVGCC-VIFPVBQESA-N -1 3 237.255 0.803 20 0 BCADHM CCn1nncc1C[N-]C(=O)C(F)F ZINC000862361019 589204159 /nfs/dbraw/zinc/20/41/59/589204159.db2.gz JSISMQWBTBYHRW-UHFFFAOYSA-N -1 3 204.180 0.179 20 0 BCADHM CCn1nncc1C[N-]C(=O)C(C)(F)F ZINC000862364629 589204582 /nfs/dbraw/zinc/20/45/82/589204582.db2.gz PZTOMGTZIXUALR-UHFFFAOYSA-N -1 3 218.207 0.569 20 0 BCADHM Cc1nn(C)c(C)c1C(=O)[N-]N1CCOC1=O ZINC000862694959 589232711 /nfs/dbraw/zinc/23/27/11/589232711.db2.gz BJXDFTOQYAEQEQ-UHFFFAOYSA-N -1 3 238.247 0.134 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1C[C@H]1C[C@H]1C ZINC000863329215 589280884 /nfs/dbraw/zinc/28/08/84/589280884.db2.gz MMVCGEUKZBWDAZ-GJMOJQLCSA-N -1 3 232.305 0.050 20 0 BCADHM CON(C)C(=O)[C@H](C)[N-]C(=O)C(C)(F)F ZINC000863520847 589295819 /nfs/dbraw/zinc/29/58/19/589295819.db2.gz VGTQVOHBPJACBR-YFKPBYRVSA-N -1 3 224.207 0.166 20 0 BCADHM CCOCCO[N-]C(=O)CN(C)C1CCC1 ZINC000863904762 589325165 /nfs/dbraw/zinc/32/51/65/589325165.db2.gz BWIGJNKDLQSUCV-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM O=C(CCc1cn[nH]c1)[N-]OC1CCC1 ZINC000863918462 589325716 /nfs/dbraw/zinc/32/57/16/589325716.db2.gz HAYHZFNICAHUJW-UHFFFAOYSA-N -1 3 209.249 0.943 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccnn1C ZINC000864356127 589355226 /nfs/dbraw/zinc/35/52/26/589355226.db2.gz NDSOUIHZHAKPOO-SSDOTTSWSA-N -1 3 243.274 0.633 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccnn1C ZINC000864356129 589355261 /nfs/dbraw/zinc/35/52/61/589355261.db2.gz NDSOUIHZHAKPOO-ZETCQYMHSA-N -1 3 243.274 0.633 20 0 BCADHM CO[N-]C(=O)[C@H]1CCCN(CC(F)F)C1 ZINC000864749249 589392592 /nfs/dbraw/zinc/39/25/92/589392592.db2.gz WSYMDXMKVJWNMD-ZETCQYMHSA-N -1 3 222.235 0.641 20 0 BCADHM CO[N-]C(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC000864749248 589392599 /nfs/dbraw/zinc/39/25/99/589392599.db2.gz WSYMDXMKVJWNMD-SSDOTTSWSA-N -1 3 222.235 0.641 20 0 BCADHM CN1C(=O)N=CC1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000865082332 589408148 /nfs/dbraw/zinc/40/81/48/589408148.db2.gz UOTHUGVXAYRKET-MRVPVSSYSA-N -1 3 241.247 0.314 20 0 BCADHM Cn1c(C(=O)[N-]O[C@@H]2CCCCO2)c[nH]c1=O ZINC000865082332 589408150 /nfs/dbraw/zinc/40/81/50/589408150.db2.gz UOTHUGVXAYRKET-MRVPVSSYSA-N -1 3 241.247 0.314 20 0 BCADHM COCCO[N-]C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000866358925 589488079 /nfs/dbraw/zinc/48/80/79/589488079.db2.gz XGVLCGDKCCUTAT-SECBINFHSA-N -1 3 241.291 0.522 20 0 BCADHM CCOC1CC2(C[C@@H]2C(=O)[N-]OCCOC)C1 ZINC000866358648 589488114 /nfs/dbraw/zinc/48/81/14/589488114.db2.gz UKTVIEUUCNLDOQ-SQLBVSGCSA-N -1 3 243.303 0.886 20 0 BCADHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC(C)C ZINC000866380381 589488940 /nfs/dbraw/zinc/48/89/40/589488940.db2.gz CYYSMAKSWDLERN-ZDUSSCGKSA-N -1 3 242.366 0.595 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C2CC2)nn1 ZINC000866422935 589492148 /nfs/dbraw/zinc/49/21/48/589492148.db2.gz UMIHUBIMGMTHDW-QMMMGPOBSA-N -1 3 241.316 0.862 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C2CC2)nn1 ZINC000866422934 589492479 /nfs/dbraw/zinc/49/24/79/589492479.db2.gz UMIHUBIMGMTHDW-MRVPVSSYSA-N -1 3 241.316 0.862 20 0 BCADHM COC/C=C\C(=O)[N-]OCC(F)(F)F ZINC000866733462 589516782 /nfs/dbraw/zinc/51/67/82/589516782.db2.gz RMISNFQKMHFZDY-IHWYPQMZSA-N -1 3 213.155 0.799 20 0 BCADHM COC/C=C/C(=O)[N-]OCC(F)(F)F ZINC000866733463 589516801 /nfs/dbraw/zinc/51/68/01/589516801.db2.gz RMISNFQKMHFZDY-NSCUHMNNSA-N -1 3 213.155 0.799 20 0 BCADHM C=C=CC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000867469342 589521601 /nfs/dbraw/zinc/52/16/01/589521601.db2.gz IUIAZBQUVUNPFV-UHFFFAOYSA-N -1 3 213.262 0.040 20 0 BCADHM CCOCCO[N-]C(=O)CCCCO ZINC000867491178 589522389 /nfs/dbraw/zinc/52/23/89/589522389.db2.gz HTKUOPRYUJAPHO-UHFFFAOYSA-N -1 3 205.254 0.233 20 0 BCADHM O=C(CC1CSC1)[N-]OC[C@@H]1CCOC1 ZINC000867712049 589531566 /nfs/dbraw/zinc/53/15/66/589531566.db2.gz ZYPDNKVJYFPVQT-MRVPVSSYSA-N -1 3 231.317 0.824 20 0 BCADHM COCCCO[N-]C(=O)CCCCO ZINC000868326340 589554864 /nfs/dbraw/zinc/55/48/64/589554864.db2.gz BQQFNRQPZDIFFF-UHFFFAOYSA-N -1 3 205.254 0.233 20 0 BCADHM CCCN(C)CC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000868443969 589557712 /nfs/dbraw/zinc/55/77/12/589557712.db2.gz VHFNVDHCPYTCNV-DTORHVGOSA-N -1 3 228.292 0.308 20 0 BCADHM CN1C(=O)N=CC1C(=O)[N-]OC/C=C/Cl ZINC000868469709 589559386 /nfs/dbraw/zinc/55/93/86/589559386.db2.gz OUOUBBJOUDCZJG-NSCUHMNNSA-N -1 3 231.639 0.540 20 0 BCADHM CCC=C(F)C(=O)[N-]n1cnn(CC)c1=O ZINC000868543293 589563488 /nfs/dbraw/zinc/56/34/88/589563488.db2.gz JFQKJZMVTILOQO-ALCCZGGFSA-N -1 3 228.227 0.398 20 0 BCADHM CCC=C(F)C(=O)[N-]n1cnn(CC)c1=O ZINC000868543294 589563596 /nfs/dbraw/zinc/56/35/96/589563596.db2.gz JFQKJZMVTILOQO-FNORWQNLSA-N -1 3 228.227 0.398 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCC1(O)CCC1 ZINC000868660836 589571467 /nfs/dbraw/zinc/57/14/67/589571467.db2.gz ZLQFSTDOKLUQCM-UHFFFAOYSA-N -1 3 231.292 0.500 20 0 BCADHM CCC=C(C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869022536 589584929 /nfs/dbraw/zinc/58/49/29/589584929.db2.gz GBWSYLPWQACAOB-QPJJXVBHSA-N -1 3 237.259 0.860 20 0 BCADHM CC1(C)C[C@H]1C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869022541 589585066 /nfs/dbraw/zinc/58/50/66/589585066.db2.gz GDZYASPAFDMCOP-ZETCQYMHSA-N -1 3 237.259 0.550 20 0 BCADHM CCCC=CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869021294 589585136 /nfs/dbraw/zinc/58/51/36/589585136.db2.gz DMZLFHRRRBXSKK-PLNGDYQASA-N -1 3 237.259 0.860 20 0 BCADHM CC(C)[C@H](F)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869023232 589585405 /nfs/dbraw/zinc/58/54/05/589585405.db2.gz UQANNSSWYAQQFP-QMMMGPOBSA-N -1 3 243.238 0.498 20 0 BCADHM CCCO[N-]C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000869085819 589586701 /nfs/dbraw/zinc/58/67/01/589586701.db2.gz IPDJBMABDAXPMR-DTWKUNHWSA-N -1 3 244.291 0.257 20 0 BCADHM CC1(C)CO[C@@H](COC(=O)c2cnn[n-]2)C1 ZINC000869518768 589611613 /nfs/dbraw/zinc/61/16/13/589611613.db2.gz WHKCCNSQKHRTIJ-SSDOTTSWSA-N -1 3 225.248 0.777 20 0 BCADHM CC1(C)CO[C@@H](COC(=O)c2c[n-]nn2)C1 ZINC000869518768 589611614 /nfs/dbraw/zinc/61/16/14/589611614.db2.gz WHKCCNSQKHRTIJ-SSDOTTSWSA-N -1 3 225.248 0.777 20 0 BCADHM O=C(OCCO)c1cn[n-]c1[C@H]1CCCO1 ZINC000869900918 589636675 /nfs/dbraw/zinc/63/66/75/589636675.db2.gz IFJSLAKAJAIXDI-MRVPVSSYSA-N -1 3 226.232 0.410 20 0 BCADHM O=C(OCCO)c1c[n-]nc1[C@H]1CCCO1 ZINC000869900918 589636677 /nfs/dbraw/zinc/63/66/77/589636677.db2.gz IFJSLAKAJAIXDI-MRVPVSSYSA-N -1 3 226.232 0.410 20 0 BCADHM CSCC[C@H](N)C(=O)[N-]O[C@H]1CCCCO1 ZINC000123169596 589670878 /nfs/dbraw/zinc/67/08/78/589670878.db2.gz QNHHMGITMDYELP-IUCAKERBSA-N -1 3 248.348 0.641 20 0 BCADHM Cc1cccnc1C(F)(F)C(=O)[N-]C1COC1 ZINC000870870052 589692810 /nfs/dbraw/zinc/69/28/10/589692810.db2.gz ALUCGFYXAUHPPL-UHFFFAOYSA-N -1 3 242.225 0.997 20 0 BCADHM O=C(NC1COC1)c1cc2n[n-]nc2cc1F ZINC000870869144 589693106 /nfs/dbraw/zinc/69/31/06/589693106.db2.gz BYTKJBOPTXSQOS-UHFFFAOYSA-N -1 3 236.206 0.226 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@](C)(CC)C(N)=O ZINC000888544447 589701205 /nfs/dbraw/zinc/70/12/05/589701205.db2.gz QTSKGELXBCLHSK-MRVPVSSYSA-N -1 3 222.235 0.802 20 0 BCADHM COC(C)(C)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000871260714 589752694 /nfs/dbraw/zinc/75/26/94/589752694.db2.gz UWHBPSBQUSAMED-UHFFFAOYSA-N -1 3 239.275 0.727 20 0 BCADHM CC(=O)[N-]OCc1c(Br)cnn1C ZINC000871729392 589799877 /nfs/dbraw/zinc/79/98/77/589799877.db2.gz MQKXGEMNFBJEMA-UHFFFAOYSA-N -1 3 248.080 0.750 20 0 BCADHM CC[C@H](C)NC(=O)Cn1c([O-])c(C)oc1=O ZINC000871781400 589816613 /nfs/dbraw/zinc/81/66/13/589816613.db2.gz DLUKUASLRLLRDH-BQBZGAKWSA-N -1 3 228.248 0.268 20 0 BCADHM Cc1oc(=O)n(CC(=O)N[C@H](C)C(C)C)c1[O-] ZINC000871782125 589817602 /nfs/dbraw/zinc/81/76/02/589817602.db2.gz LPZPOLQEDIVYRE-SFYZADRCSA-N -1 3 242.275 0.514 20 0 BCADHM CC[S@@](=O)CCNC(=O)c1ccccc1[O-] ZINC000123830166 589825849 /nfs/dbraw/zinc/82/58/49/589825849.db2.gz HWFLHLJEAUYQOF-INIZCTEOSA-N -1 3 241.312 0.891 20 0 BCADHM Cc1[n-]n([C@@H]2CCC[C@H]2O)c(=O)c1F ZINC000871961984 589846157 /nfs/dbraw/zinc/84/61/57/589846157.db2.gz UFMFYMQEQAOEJG-PRJMDXOYSA-N -1 3 200.213 0.456 20 0 BCADHM CCc1[n-]n(CCN(C)C)c(=O)c1F ZINC000871943484 589836897 /nfs/dbraw/zinc/83/68/97/589836897.db2.gz JYHPAWGSKRHGNU-QMMMGPOBSA-N -1 3 201.245 0.494 20 0 BCADHM Cc1[n-]n([C@H]2CCCOC2)c(=O)c1F ZINC000871957583 589843600 /nfs/dbraw/zinc/84/36/00/589843600.db2.gz IIBMKTALOWTYIU-JGVFFNPUSA-N -1 3 200.213 0.722 20 0 BCADHM CCS(=O)(=O)[N-]c1cncc(OC)c1 ZINC000872006128 589855682 /nfs/dbraw/zinc/85/56/82/589855682.db2.gz OTNFIYKIXURAJD-UHFFFAOYSA-N -1 3 216.262 0.852 20 0 BCADHM CC(=O)NCCCNc1cc(Cl)n[n-]c1=O ZINC000872404338 589935422 /nfs/dbraw/zinc/93/54/22/589935422.db2.gz VHXUNDOXCISHSU-UHFFFAOYSA-N -1 3 244.682 0.774 20 0 BCADHM CCC1(O)CN(c2cc(Cl)n[n-]c2=O)C1 ZINC000872513768 589945750 /nfs/dbraw/zinc/94/57/50/589945750.db2.gz SRWXYUGOQBJIMH-UHFFFAOYSA-N -1 3 229.667 0.797 20 0 BCADHM CN(CCOCCO)c1cc(Cl)n[n-]c1=O ZINC000872539996 589948631 /nfs/dbraw/zinc/94/86/31/589948631.db2.gz STOSWQFFPOIBRK-UHFFFAOYSA-N -1 3 247.682 0.281 20 0 BCADHM CC[C@@H](Nc1cc(Cl)n[n-]c1=O)C(=O)NC ZINC000872567521 589952172 /nfs/dbraw/zinc/95/21/72/589952172.db2.gz FZAUIBPFGCBCGW-RXMQYKEDSA-N -1 3 244.682 0.772 20 0 BCADHM O=c1[n-]nc(Cl)cc1N[C@@H]1CC[C@H]1O ZINC000872575012 589953872 /nfs/dbraw/zinc/95/38/72/589953872.db2.gz RZZWRKPGDFLOJY-INEUFUBQSA-N -1 3 215.640 0.771 20 0 BCADHM O=C([O-])[C@H]1C[C@H](Nc2ccnc(CO)c2)C1 ZINC000873078300 589983502 /nfs/dbraw/zinc/98/35/02/589983502.db2.gz HEWULNRVMGRGKV-XWEPSHTISA-N -1 3 222.244 0.849 20 0 BCADHM Cn1nccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000124811495 590090428 /nfs/dbraw/zinc/09/04/28/590090428.db2.gz GZSJAGWOPKFTES-SECBINFHSA-N -1 3 240.263 1.000 20 0 BCADHM O=C(CN1CCOC1=O)Nc1ccccc1[O-] ZINC000874126560 590093220 /nfs/dbraw/zinc/09/32/20/590093220.db2.gz URGOJEVTHZAOLC-UHFFFAOYSA-N -1 3 236.227 0.783 20 0 BCADHM COC(OC)C(=O)Nc1nnc(SC)[n-]1 ZINC000874254551 590099579 /nfs/dbraw/zinc/09/95/79/590099579.db2.gz YLDWAGNEFWEANS-UHFFFAOYSA-N -1 3 232.265 0.084 20 0 BCADHM COC(OC)C(=O)Nc1nc(SC)n[n-]1 ZINC000874254551 590099581 /nfs/dbraw/zinc/09/95/81/590099581.db2.gz YLDWAGNEFWEANS-UHFFFAOYSA-N -1 3 232.265 0.084 20 0 BCADHM COC(OC)C(=O)Nc1n[n-]c(SC)n1 ZINC000874254551 590099585 /nfs/dbraw/zinc/09/95/85/590099585.db2.gz YLDWAGNEFWEANS-UHFFFAOYSA-N -1 3 232.265 0.084 20 0 BCADHM CC(C)(O)CON=C([O-])Nc1ncccn1 ZINC000888696337 590186004 /nfs/dbraw/zinc/18/60/04/590186004.db2.gz DIIKDXYSQGNYHT-UHFFFAOYSA-N -1 3 226.236 0.301 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Nc1ncccn1 ZINC000888696337 590186006 /nfs/dbraw/zinc/18/60/06/590186006.db2.gz DIIKDXYSQGNYHT-UHFFFAOYSA-N -1 3 226.236 0.301 20 0 BCADHM CN(CCNC(=O)CSCC(=O)[O-])C1CC1 ZINC000126121543 590235229 /nfs/dbraw/zinc/23/52/29/590235229.db2.gz VYKWVKHRDLUXIG-UHFFFAOYSA-N -1 3 246.332 0.015 20 0 BCADHM C[C@@H]1CC2(CC(NC(=O)c3c[n-]nn3)C2)CO1 ZINC000888736592 590291069 /nfs/dbraw/zinc/29/10/69/590291069.db2.gz QABTVEWVCMDFAJ-OBEAGUGNSA-N -1 3 236.275 0.492 20 0 BCADHM C[C@@H]1CC2(CC(NC(=O)c3cnn[n-]3)C2)CO1 ZINC000888736592 590291071 /nfs/dbraw/zinc/29/10/71/590291071.db2.gz QABTVEWVCMDFAJ-OBEAGUGNSA-N -1 3 236.275 0.492 20 0 BCADHM C[C@@H]1CC2(CC(NC(=O)c3cn[n-]n3)C2)CO1 ZINC000888736592 590291073 /nfs/dbraw/zinc/29/10/73/590291073.db2.gz QABTVEWVCMDFAJ-OBEAGUGNSA-N -1 3 236.275 0.492 20 0 BCADHM NC(=O)[C@H]([N-]C(=O)C(F)F)c1ccccc1 ZINC000877149693 590292899 /nfs/dbraw/zinc/29/28/99/590292899.db2.gz QFPVECKXYQBZRT-SSDOTTSWSA-N -1 3 228.198 0.594 20 0 BCADHM CC[C@H](C(=O)[N-]O[C@H]1CCCCO1)N(C)C ZINC000126507537 590324126 /nfs/dbraw/zinc/32/41/26/590324126.db2.gz BCUTWQJGDZXLRK-ZJUUUORDSA-N -1 3 230.308 0.901 20 0 BCADHM CCO[N-]C(=O)CN[C@@H](C)Cc1cnccn1 ZINC000877613875 590373922 /nfs/dbraw/zinc/37/39/22/590373922.db2.gz RTPWYTKOPCFFPH-VIFPVBQESA-N -1 3 238.291 0.065 20 0 BCADHM C[C@H](O)CNC(=O)c1nnc2ccccc2c1[O-] ZINC000127264667 590602844 /nfs/dbraw/zinc/60/28/44/590602844.db2.gz JCRPVDFBSDEGFG-ZETCQYMHSA-N -1 3 247.254 0.034 20 0 BCADHM CC(C)(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCCO1 ZINC000879406070 590761977 /nfs/dbraw/zinc/76/19/77/590761977.db2.gz LDBWWWVGMDQTMS-QMMMGPOBSA-N -1 3 240.307 0.948 20 0 BCADHM CCCN(CCO)c1ncccc1-c1nnn[n-]1 ZINC000095289697 598933233 /nfs/dbraw/zinc/93/32/33/598933233.db2.gz VFUQTFYVSDMUFP-UHFFFAOYSA-N -1 3 248.290 0.470 20 0 BCADHM CCCN(CCO)c1ncccc1-c1nn[n-]n1 ZINC000095289697 598933234 /nfs/dbraw/zinc/93/32/34/598933234.db2.gz VFUQTFYVSDMUFP-UHFFFAOYSA-N -1 3 248.290 0.470 20 0 BCADHM CCc1coc([N-]C(=O)c2nnn(C)n2)n1 ZINC000879861020 590884490 /nfs/dbraw/zinc/88/44/90/590884490.db2.gz YNCJGFIFXAAITQ-UHFFFAOYSA-N -1 3 222.208 0.013 20 0 BCADHM CN1CCC(O[N-]C(=O)COC2CC2)CC1 ZINC000879879092 590886658 /nfs/dbraw/zinc/88/66/58/590886658.db2.gz CXGJSNCBPCCFSA-UHFFFAOYSA-N -1 3 228.292 0.307 20 0 BCADHM O=C(Nc1cccc2n[n-]nc21)C1CC(=O)C1 ZINC000880196690 590956803 /nfs/dbraw/zinc/95/68/03/590956803.db2.gz VWNDROVIWTUWLR-UHFFFAOYSA-N -1 3 230.227 0.876 20 0 BCADHM Cn1[n-]c(CN2CCC[C@H](CF)C2)nc1=O ZINC000880236746 590966976 /nfs/dbraw/zinc/96/69/76/590966976.db2.gz HIWZEEDJGHWSKM-MRVPVSSYSA-N -1 3 228.271 0.290 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]OCCCC(=O)OC ZINC000888816362 591048458 /nfs/dbraw/zinc/04/84/58/591048458.db2.gz HRIPZNONWLABAZ-SECBINFHSA-N -1 3 247.291 0.539 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC=C[C@@H]2CO)n1 ZINC000880488367 591064818 /nfs/dbraw/zinc/06/48/18/591064818.db2.gz CZUQRRCOWFNWDE-SNVBAGLBSA-N -1 3 235.287 0.477 20 0 BCADHM OC[C@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC000738392601 598945003 /nfs/dbraw/zinc/94/50/03/598945003.db2.gz FKUBQDBZQCQQTM-VIFPVBQESA-N -1 3 246.274 0.445 20 0 BCADHM OC[C@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC000738392601 598945004 /nfs/dbraw/zinc/94/50/04/598945004.db2.gz FKUBQDBZQCQQTM-VIFPVBQESA-N -1 3 246.274 0.445 20 0 BCADHM O=C([N-]Cc1cn(C2CCC2)nn1)C(F)F ZINC000880563909 591094496 /nfs/dbraw/zinc/09/44/96/591094496.db2.gz XEQOKQHLRCUHFT-UHFFFAOYSA-N -1 3 230.218 0.884 20 0 BCADHM Cc1nn(C)cc1CN(C)[C@H](C)C(=O)[O-] ZINC000128971695 591198718 /nfs/dbraw/zinc/19/87/18/591198718.db2.gz YINLMYMVFXBLOK-MRVPVSSYSA-N -1 3 211.265 0.633 20 0 BCADHM CC1(CS(=O)(=O)[N-][C@H]2CCOC2=O)CCC1 ZINC000881740296 591268854 /nfs/dbraw/zinc/26/88/54/591268854.db2.gz RAEMEQSAAQCAAY-QMMMGPOBSA-N -1 3 247.316 0.412 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)c1cccnc1F ZINC000882072951 591294086 /nfs/dbraw/zinc/29/40/86/591294086.db2.gz KWSIOUGYKGVRAF-UHFFFAOYSA-N -1 3 246.263 0.478 20 0 BCADHM COC[C@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)C1 ZINC000882091480 591295605 /nfs/dbraw/zinc/29/56/05/591295605.db2.gz LCWJNJWVRCJLKJ-OCAPTIKFSA-N -1 3 237.259 0.337 20 0 BCADHM C(Cc1nn[n-]n1)SCO[C@@H]1CCCOC1 ZINC000882190482 591312932 /nfs/dbraw/zinc/31/29/32/591312932.db2.gz HAAHEBGLKWMMTA-MRVPVSSYSA-N -1 3 244.320 0.629 20 0 BCADHM C(Cc1nnn[n-]1)SCO[C@@H]1CCCOC1 ZINC000882190482 591312930 /nfs/dbraw/zinc/31/29/30/591312930.db2.gz HAAHEBGLKWMMTA-MRVPVSSYSA-N -1 3 244.320 0.629 20 0 BCADHM COC(=O)/C(C)=C/CSCCc1nnn[n-]1 ZINC000882186632 591312957 /nfs/dbraw/zinc/31/29/57/591312957.db2.gz ADHFZYVYGIWEDC-XVNBXDOJSA-N -1 3 242.304 0.595 20 0 BCADHM COC(=O)/C(C)=C/CSCCc1nn[n-]n1 ZINC000882186632 591312960 /nfs/dbraw/zinc/31/29/60/591312960.db2.gz ADHFZYVYGIWEDC-XVNBXDOJSA-N -1 3 242.304 0.595 20 0 BCADHM O=C1CCCCN1CSCCc1nnn[n-]1 ZINC000882188968 591313645 /nfs/dbraw/zinc/31/36/45/591313645.db2.gz LAHYBNAQFWOKHJ-UHFFFAOYSA-N -1 3 241.320 0.445 20 0 BCADHM O=C1CCCCN1CSCCc1nn[n-]n1 ZINC000882188968 591313648 /nfs/dbraw/zinc/31/36/48/591313648.db2.gz LAHYBNAQFWOKHJ-UHFFFAOYSA-N -1 3 241.320 0.445 20 0 BCADHM CC(C)C(=O)N(C)CSCCc1nnn[n-]1 ZINC000882191753 591313994 /nfs/dbraw/zinc/31/39/94/591313994.db2.gz RVJQOEBAURODGG-UHFFFAOYSA-N -1 3 243.336 0.547 20 0 BCADHM CC(C)C(=O)N(C)CSCCc1nn[n-]n1 ZINC000882191753 591313997 /nfs/dbraw/zinc/31/39/97/591313997.db2.gz RVJQOEBAURODGG-UHFFFAOYSA-N -1 3 243.336 0.547 20 0 BCADHM COCCCCCn1c([O-])coc1=O ZINC000882275085 591323839 /nfs/dbraw/zinc/32/38/39/591323839.db2.gz BEQJFDMOEUQFGP-UHFFFAOYSA-N -1 3 201.222 0.782 20 0 BCADHM COC(=O)c1coc(Cn2c([O-])coc2=O)c1 ZINC000882275137 591324205 /nfs/dbraw/zinc/32/42/05/591324205.db2.gz NSIAARJSRZYJHD-UHFFFAOYSA-N -1 3 239.183 0.545 20 0 BCADHM COc1ccc(Cn2c([O-])coc2=O)cn1 ZINC000882276020 591324807 /nfs/dbraw/zinc/32/48/07/591324807.db2.gz XDSHNXOYPBPVCH-UHFFFAOYSA-N -1 3 222.200 0.569 20 0 BCADHM COC(=O)CC1(Cn2c([O-])coc2=O)CC1 ZINC000882275842 591324918 /nfs/dbraw/zinc/32/49/18/591324918.db2.gz CKBQWBGYEPMKSP-UHFFFAOYSA-N -1 3 227.216 0.309 20 0 BCADHM CC(C)Cn1ncnc1Cn1c([O-])coc1=O ZINC000882275731 591325177 /nfs/dbraw/zinc/32/51/77/591325177.db2.gz QKFPGFORSLROBZ-UHFFFAOYSA-N -1 3 238.247 0.413 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C[C@@H]2C=CCC2)n1 ZINC000882558790 591390400 /nfs/dbraw/zinc/39/04/00/591390400.db2.gz XZNMHFZHQZYWBY-SECBINFHSA-N -1 3 241.316 0.665 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C[C@H]2C=CCC2)n1 ZINC000882558791 591391309 /nfs/dbraw/zinc/39/13/09/591391309.db2.gz XZNMHFZHQZYWBY-VIFPVBQESA-N -1 3 241.316 0.665 20 0 BCADHM Cn1[n-]c(=O)c2c1CN(c1nccnc1F)CC2 ZINC000882653936 591408047 /nfs/dbraw/zinc/40/80/47/591408047.db2.gz FGKFXJIKTODHRN-UHFFFAOYSA-N -1 3 249.249 0.618 20 0 BCADHM C[C@@H](O)CSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000882737210 591424568 /nfs/dbraw/zinc/42/45/68/591424568.db2.gz CQKVFQWKXXBQBG-RXMQYKEDSA-N -1 3 240.288 0.542 20 0 BCADHM C[C@@H](CO)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC000095154924 598971572 /nfs/dbraw/zinc/97/15/72/598971572.db2.gz NRFHDMGZAQJANJ-YUMQZZPRSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](CO)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC000095154924 598971574 /nfs/dbraw/zinc/97/15/74/598971574.db2.gz NRFHDMGZAQJANJ-YUMQZZPRSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)CO ZINC000095154979 598971645 /nfs/dbraw/zinc/97/16/45/598971645.db2.gz VWRQUFOXZYDNBJ-HTQZYQBOSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)CO ZINC000095154979 598971647 /nfs/dbraw/zinc/97/16/47/598971647.db2.gz VWRQUFOXZYDNBJ-HTQZYQBOSA-N -1 3 248.290 0.691 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CO[C@H](C)C2)[n-]1 ZINC000132969013 591751207 /nfs/dbraw/zinc/75/12/07/591751207.db2.gz PZABVGQTQOVOPI-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CO[C@H](C)C2)n[n-]1 ZINC000132969013 591751210 /nfs/dbraw/zinc/75/12/10/591751210.db2.gz PZABVGQTQOVOPI-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CO[C@H](C)C2)n1 ZINC000132969013 591751213 /nfs/dbraw/zinc/75/12/13/591751213.db2.gz PZABVGQTQOVOPI-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM O=C(NN1CC(=O)[N-]C1=O)c1cccc(F)c1 ZINC000029018557 591757488 /nfs/dbraw/zinc/75/74/88/591757488.db2.gz SYTFWGFVZXDLEP-UHFFFAOYSA-N -1 3 237.190 0.022 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1CCSC1 ZINC000133775184 591856285 /nfs/dbraw/zinc/85/62/85/591856285.db2.gz YTBSTYVXFRBOPS-SSDOTTSWSA-N -1 3 205.279 0.434 20 0 BCADHM COCCC(=O)[N-]OCC(F)(F)F ZINC000133790640 591857580 /nfs/dbraw/zinc/85/75/80/591857580.db2.gz NHIRDDKRVDJDIP-UHFFFAOYSA-N -1 3 201.144 0.633 20 0 BCADHM CC[C@@H](N)C(=O)[N-]OCC(F)(F)F ZINC000133822887 591861860 /nfs/dbraw/zinc/86/18/60/591861860.db2.gz LTPXUNZFPPHESL-SCSAIBSYSA-N -1 3 200.160 0.334 20 0 BCADHM O=C(OC[C@H]1CC[C@@H](C2CC2)O1)c1cnn[n-]1 ZINC000884507390 591960471 /nfs/dbraw/zinc/96/04/71/591960471.db2.gz BPRHADPIQIQEAZ-SCZZXKLOSA-N -1 3 237.259 0.919 20 0 BCADHM O=C(OC[C@H]1CC[C@@H](C2CC2)O1)c1c[n-]nn1 ZINC000884507390 591960474 /nfs/dbraw/zinc/96/04/74/591960474.db2.gz BPRHADPIQIQEAZ-SCZZXKLOSA-N -1 3 237.259 0.919 20 0 BCADHM COCCO[N-]C(=O)Cc1cccc(O)c1 ZINC000135146327 591992870 /nfs/dbraw/zinc/99/28/70/591992870.db2.gz PWYAWSGSHLBLBZ-UHFFFAOYSA-N -1 3 225.244 0.629 20 0 BCADHM NC(=O)CON=C([O-])Nc1ccccc1 ZINC000135665529 592030419 /nfs/dbraw/zinc/03/04/19/592030419.db2.gz QJDMAYLIUYPODC-UHFFFAOYSA-N -1 3 209.205 0.225 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccccc1 ZINC000135665529 592030421 /nfs/dbraw/zinc/03/04/21/592030421.db2.gz QJDMAYLIUYPODC-UHFFFAOYSA-N -1 3 209.205 0.225 20 0 BCADHM C[C@H]1C(=O)CCCN1C(=O)Cc1cncc([O-])c1 ZINC000885056817 592041552 /nfs/dbraw/zinc/04/15/52/592041552.db2.gz ULEODHMOVBJXIB-VIFPVBQESA-N -1 3 248.282 0.910 20 0 BCADHM C[C@H]1C(=O)CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000885061159 592042769 /nfs/dbraw/zinc/04/27/69/592042769.db2.gz BHCWMHYGMLFTBS-ZETCQYMHSA-N -1 3 235.243 0.376 20 0 BCADHM O=S(=O)(CCCCF)[N-]C(CF)CF ZINC000885413094 592076697 /nfs/dbraw/zinc/07/66/97/592076697.db2.gz DBXGINVSUWAUIH-UHFFFAOYSA-N -1 3 233.255 0.963 20 0 BCADHM COC[C@H](CNC(=O)c1c[n-]nn1)C(C)C ZINC000885810685 592103005 /nfs/dbraw/zinc/10/30/05/592103005.db2.gz IIYZIWQBKRUFRB-QMMMGPOBSA-N -1 3 226.280 0.453 20 0 BCADHM COC[C@H](CNC(=O)c1cnn[n-]1)C(C)C ZINC000885810685 592103007 /nfs/dbraw/zinc/10/30/07/592103007.db2.gz IIYZIWQBKRUFRB-QMMMGPOBSA-N -1 3 226.280 0.453 20 0 BCADHM COC[C@H](CNC(=O)c1cn[n-]n1)C(C)C ZINC000885810685 592103009 /nfs/dbraw/zinc/10/30/09/592103009.db2.gz IIYZIWQBKRUFRB-QMMMGPOBSA-N -1 3 226.280 0.453 20 0 BCADHM Cn1nc(CNC(=O)c2c[n-]nn2)cc1C1CC1 ZINC000885916580 592109119 /nfs/dbraw/zinc/10/91/19/592109119.db2.gz BFDVGLUTJGWDMN-UHFFFAOYSA-N -1 3 246.274 0.346 20 0 BCADHM Cn1nc(CNC(=O)c2cnn[n-]2)cc1C1CC1 ZINC000885916580 592109121 /nfs/dbraw/zinc/10/91/21/592109121.db2.gz BFDVGLUTJGWDMN-UHFFFAOYSA-N -1 3 246.274 0.346 20 0 BCADHM Cn1nc(CNC(=O)c2cn[n-]n2)cc1C1CC1 ZINC000885916580 592109123 /nfs/dbraw/zinc/10/91/23/592109123.db2.gz BFDVGLUTJGWDMN-UHFFFAOYSA-N -1 3 246.274 0.346 20 0 BCADHM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC000217796937 592149472 /nfs/dbraw/zinc/14/94/72/592149472.db2.gz XOJZCXODFABTMC-UWVGGRQHSA-N -1 3 240.303 0.308 20 0 BCADHM C[C@H](C(=O)NC1CC1)N1CC[C@@H](C(=O)[O-])C1 ZINC000218291202 592153568 /nfs/dbraw/zinc/15/35/68/592153568.db2.gz NUISUFYUCASEDO-HTQZYQBOSA-N -1 3 226.276 0.060 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)n1 ZINC000886243149 592183749 /nfs/dbraw/zinc/18/37/49/592183749.db2.gz PKBVANWKRGPCFA-VTYGSRLXSA-N -1 3 238.287 0.069 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000886273164 592193270 /nfs/dbraw/zinc/19/32/70/592193270.db2.gz OUEJQZPDEXTCPS-URLYPYJESA-N -1 3 234.255 0.296 20 0 BCADHM COC[C@@H](OC)C(=O)NCc1cncc([O-])c1 ZINC000886272878 592193547 /nfs/dbraw/zinc/19/35/47/592193547.db2.gz FQFWJJDNLBPDBD-SNVBAGLBSA-N -1 3 240.259 0.065 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@@H](O)C1CCC1 ZINC000886274890 592194298 /nfs/dbraw/zinc/19/42/98/592194298.db2.gz GRHIIMWMSWMAJW-NSHDSACASA-N -1 3 236.271 0.564 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000886275172 592194676 /nfs/dbraw/zinc/19/46/76/592194676.db2.gz PZHCTXCXWHEYQF-UTUOFQBUSA-N -1 3 248.282 0.971 20 0 BCADHM O=CN1CCC[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886274903 592194690 /nfs/dbraw/zinc/19/46/90/592194690.db2.gz HLBIWDRAZJAVQP-LLVKDONJSA-N -1 3 249.270 0.024 20 0 BCADHM C[C@H](C(=O)NCc1cncc([O-])c1)n1cncn1 ZINC000886277738 592196410 /nfs/dbraw/zinc/19/64/10/592196410.db2.gz AZWFDHXYFNZEAN-MRVPVSSYSA-N -1 3 247.258 0.256 20 0 BCADHM CN(C)C1(C(=O)NCc2cncc(O)c2)CCC1 ZINC000886276708 592196432 /nfs/dbraw/zinc/19/64/32/592196432.db2.gz QISSAFXJCQDZKR-UHFFFAOYSA-N -1 3 249.314 0.888 20 0 BCADHM CN(C)C1(C(=O)NCc2cncc([O-])c2)CCC1 ZINC000886276708 592196434 /nfs/dbraw/zinc/19/64/34/592196434.db2.gz QISSAFXJCQDZKR-UHFFFAOYSA-N -1 3 249.314 0.888 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@@H]1C[C@@]12CCOC2 ZINC000886276509 592196791 /nfs/dbraw/zinc/19/67/91/592196791.db2.gz LBBMWSZGCLRJTF-WCQYABFASA-N -1 3 248.282 0.830 20 0 BCADHM CCC[C@@H](O)CC(=O)NCc1cncc([O-])c1 ZINC000886278346 592197341 /nfs/dbraw/zinc/19/73/41/592197341.db2.gz WJZRDVCIDMSAIW-SNVBAGLBSA-N -1 3 238.287 0.955 20 0 BCADHM CN1CCCC[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886279680 592198528 /nfs/dbraw/zinc/19/85/28/592198528.db2.gz GZRQUGHEOKKEMS-GFCCVEGCSA-N -1 3 249.314 0.888 20 0 BCADHM Cc1cc(C(=O)NCc2cncc([O-])c2)n(C)n1 ZINC000886282139 592198987 /nfs/dbraw/zinc/19/89/87/592198987.db2.gz YQDBPLGWBUNKRS-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CCO[C@H]1C[C@@H]1C(=O)NCc1cncc([O-])c1 ZINC000886281612 592199035 /nfs/dbraw/zinc/19/90/35/592199035.db2.gz DTAZTMCJYVCZQU-QWRGUYRKSA-N -1 3 236.271 0.828 20 0 BCADHM COCCCC(=O)NCc1cncc([O-])c1 ZINC000886281877 592199232 /nfs/dbraw/zinc/19/92/32/592199232.db2.gz NSZQWDYBQABZFK-UHFFFAOYSA-N -1 3 224.260 0.830 20 0 BCADHM C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000219519515 592226079 /nfs/dbraw/zinc/22/60/79/592226079.db2.gz VDOGWBBZXSGVOS-DTWKUNHWSA-N -1 3 240.303 0.450 20 0 BCADHM C[C@H](C(=O)N(C)C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000219522152 592226897 /nfs/dbraw/zinc/22/68/97/592226897.db2.gz YCKRDCUCUNUDGW-RKDXNWHRSA-N -1 3 228.292 0.260 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N[C@H]1C[C@H](CO)C1 ZINC000886890078 592388018 /nfs/dbraw/zinc/38/80/18/592388018.db2.gz UUABNIPGBRPJPK-FCSJWLPWSA-N -1 3 248.282 0.688 20 0 BCADHM Cn1[n-]c(CNC2(C3CC3)CCC2)nc1=O ZINC000887147293 592460618 /nfs/dbraw/zinc/46/06/18/592460618.db2.gz GUMANJUGFMMLRU-UHFFFAOYSA-N -1 3 222.292 0.531 20 0 BCADHM C[C@H]1CO[C@@H](C(=O)[N-]C2=NCCS2)C1 ZINC000887914815 592558335 /nfs/dbraw/zinc/55/83/35/592558335.db2.gz RRDXEFXJSBDYCF-RNFRBKRXSA-N -1 3 214.290 0.630 20 0 BCADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnn(C)n1 ZINC000889629178 592634771 /nfs/dbraw/zinc/63/47/71/592634771.db2.gz RYHKCLFUNVDNMI-UHFFFAOYSA-N -1 3 248.246 0.636 20 0 BCADHM CCCc1nc(C(=O)[N-]c2nnn(C)n2)co1 ZINC000889629223 592635189 /nfs/dbraw/zinc/63/51/89/592635189.db2.gz UDKLIMRNCYCECM-UHFFFAOYSA-N -1 3 236.235 0.403 20 0 BCADHM CN(CCO)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234295158 601619705 /nfs/dbraw/zinc/61/97/05/601619705.db2.gz JYPLSDWVJMFPDW-UHFFFAOYSA-N -1 3 227.235 0.948 20 0 BCADHM CC[C@@H](C(N)=O)N1CCC(CCC(=O)[O-])CC1 ZINC000061678210 601839719 /nfs/dbraw/zinc/83/97/19/601839719.db2.gz MCSDRBRQAIUHCC-JTQLQIEISA-N -1 3 242.319 0.827 20 0 BCADHM COCC[C@@H](C)N1CCO[C@@H](C(=O)[O-])C1 ZINC000226451734 601822135 /nfs/dbraw/zinc/82/21/35/601822135.db2.gz QSXLUDHNNYTTLU-RKDXNWHRSA-N -1 3 217.265 0.197 20 0 BCADHM Cn1cc(CN2CC[C@@H](CNC(=O)[O-])C2)cn1 ZINC000740285783 601934887 /nfs/dbraw/zinc/93/48/87/601934887.db2.gz HELQBKUJBABUDE-VIFPVBQESA-N -1 3 238.291 0.510 20 0 BCADHM COC(=O)CCN1CCCC[C@H]1CNC(=O)[O-] ZINC000739761522 602045842 /nfs/dbraw/zinc/04/58/42/602045842.db2.gz MRIQAJXARBOADJ-VIFPVBQESA-N -1 3 244.291 0.672 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)C(F)(F)F ZINC000225913914 596908450 /nfs/dbraw/zinc/90/84/50/596908450.db2.gz VBJABNXIEIVEDT-UHFFFAOYSA-N -1 3 242.197 0.024 20 0 BCADHM Cc1cc(N2CC[C@H](C(=O)[O-])C2)nc(N)n1 ZINC000687736841 596901729 /nfs/dbraw/zinc/90/17/29/596901729.db2.gz PXIKXZQDEPDLIH-ZETCQYMHSA-N -1 3 222.248 0.278 20 0 BCADHM CN(CCC(=O)[O-])C(=O)[C@@H]1CCCCN1C ZINC000082246772 597009550 /nfs/dbraw/zinc/00/95/50/597009550.db2.gz JVZAAEFVRQMSFO-VIFPVBQESA-N -1 3 228.292 0.404 20 0 BCADHM C[C@H](C(N)=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000227106552 597076130 /nfs/dbraw/zinc/07/61/30/597076130.db2.gz FPRHWQWXEGABEY-SFYZADRCSA-N -1 3 214.265 0.047 20 0 BCADHM O=C([O-])C[C@H]1CCCN(CC(=O)NC2CC2)C1 ZINC000054299859 597081708 /nfs/dbraw/zinc/08/17/08/597081708.db2.gz SLWGZSGXIRSYHP-SECBINFHSA-N -1 3 240.303 0.452 20 0 BCADHM CCN1CCC[C@@H](NC(=O)NCCC(=O)[O-])C1 ZINC000049227560 597286304 /nfs/dbraw/zinc/28/63/04/597286304.db2.gz MLNNCFQMPINIBC-SECBINFHSA-N -1 3 243.307 0.245 20 0 BCADHM CN1CCC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000257684914 597497216 /nfs/dbraw/zinc/49/72/16/597497216.db2.gz KLSWANIDCXGZGY-BDAKNGLRSA-N -1 3 226.276 0.014 20 0 BCADHM C[C@H](C(=O)NC1CC1)N1CC[C@H](C(=O)[O-])C1 ZINC000062133546 597528669 /nfs/dbraw/zinc/52/86/69/597528669.db2.gz NUISUFYUCASEDO-SFYZADRCSA-N -1 3 226.276 0.060 20 0 BCADHM CCCCNC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000062133538 597530025 /nfs/dbraw/zinc/53/00/25/597530025.db2.gz QRUXJBCCEHERPY-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM CNC(=O)[C@H]1CCCN1CCCCC(=O)[O-] ZINC000042394823 597771224 /nfs/dbraw/zinc/77/12/24/597771224.db2.gz NCBNYRNCUVWLDX-SECBINFHSA-N -1 3 228.292 0.452 20 0 BCADHM CN(C)C[C@H]1CN(CCCCC(=O)[O-])CCO1 ZINC000737950453 597778417 /nfs/dbraw/zinc/77/84/17/597778417.db2.gz UWLFJFHASYLIAA-NSHDSACASA-N -1 3 244.335 0.504 20 0 BCADHM C[C@@H]1[C@H](C)OCCN1CCCC(=O)[O-] ZINC000308539957 597789420 /nfs/dbraw/zinc/78/94/20/597789420.db2.gz UJNXLYHSLLGQNR-BDAKNGLRSA-N -1 3 201.266 0.960 20 0 BCADHM C[C@H]1OCCN(CCCC(=O)[O-])[C@H]1C ZINC000308539960 597789505 /nfs/dbraw/zinc/78/95/05/597789505.db2.gz UJNXLYHSLLGQNR-DTWKUNHWSA-N -1 3 201.266 0.960 20 0 BCADHM O=C([O-])CCCN1CCc2c[nH]nc2C1 ZINC000380092005 597799913 /nfs/dbraw/zinc/79/99/13/597799913.db2.gz JCXUDQITUPOMSJ-UHFFFAOYSA-N -1 3 209.249 0.633 20 0 BCADHM CCn1nccc1CN1CC[C@H](C(=O)[O-])C1 ZINC000164986358 598128958 /nfs/dbraw/zinc/12/89/58/598128958.db2.gz RUKCUDIGLUZRSF-VIFPVBQESA-N -1 3 223.276 0.810 20 0 BCADHM O=C([O-])[C@@H]1CCCCN1Cc1cncnc1 ZINC000394101431 598132573 /nfs/dbraw/zinc/13/25/73/598132573.db2.gz FPZZKRGNHSUUGC-JTQLQIEISA-N -1 3 221.260 0.916 20 0 BCADHM CC[C@@H]1COCCN1CCCC(=O)[O-] ZINC000036327088 600231451 /nfs/dbraw/zinc/23/14/51/600231451.db2.gz ZDHLJGBUNLQCDT-SECBINFHSA-N -1 3 201.266 0.962 20 0 BCADHM C[C@H](NCCCC(=O)[O-])c1nccn1C ZINC000070007774 598180243 /nfs/dbraw/zinc/18/02/43/598180243.db2.gz DQJNPWOCRUBXBC-QMMMGPOBSA-N -1 3 211.265 0.936 20 0 BCADHM CN(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000095293377 598415021 /nfs/dbraw/zinc/41/50/21/598415021.db2.gz YMIRAYIDRZYTSD-UHFFFAOYSA-N -1 3 246.274 0.367 20 0 BCADHM CNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000095315436 598415203 /nfs/dbraw/zinc/41/52/03/598415203.db2.gz UCSGIYSWCFTSGD-UHFFFAOYSA-N -1 3 232.247 0.025 20 0 BCADHM OC1CN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000095145289 598520776 /nfs/dbraw/zinc/52/07/76/598520776.db2.gz VHCZNFPXNRWMAA-UHFFFAOYSA-N -1 3 217.232 0.048 20 0 BCADHM CO[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000095203076 598570099 /nfs/dbraw/zinc/57/00/99/598570099.db2.gz PYSLCKNNZUDAAN-SSDOTTSWSA-N -1 3 247.258 0.840 20 0 BCADHM CO[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000095203076 598570101 /nfs/dbraw/zinc/57/01/01/598570101.db2.gz PYSLCKNNZUDAAN-SSDOTTSWSA-N -1 3 247.258 0.840 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095252929 598804382 /nfs/dbraw/zinc/80/43/82/598804382.db2.gz KEPDHHBGGDTMKR-XPUUQOCRSA-N -1 3 244.258 0.856 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095252929 598804385 /nfs/dbraw/zinc/80/43/85/598804385.db2.gz KEPDHHBGGDTMKR-XPUUQOCRSA-N -1 3 244.258 0.856 20 0 BCADHM c1nc(-c2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC000095221759 599498102 /nfs/dbraw/zinc/49/81/02/599498102.db2.gz SKFSNDWQHRLCOK-UHFFFAOYSA-N -1 3 213.204 0.652 20 0 BCADHM CNC(=O)CCN(C)Cc1ccc(C(=O)[O-])o1 ZINC000234354752 599772120 /nfs/dbraw/zinc/77/21/20/599772120.db2.gz NQIIZIFNQXITMI-UHFFFAOYSA-N -1 3 240.259 0.546 20 0 BCADHM NC(=O)[C@H]1CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000236279744 599848140 /nfs/dbraw/zinc/84/81/40/599848140.db2.gz WKDUHBGWAANEQR-ZETCQYMHSA-N -1 3 238.243 0.285 20 0 BCADHM CCN(CCC(=O)[O-])CC(=O)NCC1CCC1 ZINC000737097601 599927609 /nfs/dbraw/zinc/92/76/09/599927609.db2.gz UPXZDMFAKVZXFV-UHFFFAOYSA-N -1 3 242.319 0.699 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCc2cncnc2C1 ZINC000309406613 599920505 /nfs/dbraw/zinc/92/05/05/599920505.db2.gz XGBPZZDOICVVMQ-ZETCQYMHSA-N -1 3 207.233 0.308 20 0 BCADHM CC[C@H](C(N)=O)N1CCC(CC(=O)[O-])CC1 ZINC000086573345 599993156 /nfs/dbraw/zinc/99/31/56/599993156.db2.gz QCBWEDKDNTXOIA-SECBINFHSA-N -1 3 228.292 0.437 20 0 BCADHM CN(CC(=O)N(C)CC(=O)[O-])CC(C)(C)C ZINC000737387672 599994825 /nfs/dbraw/zinc/99/48/25/599994825.db2.gz TYPPRKSWHVMCNB-UHFFFAOYSA-N -1 3 230.308 0.507 20 0 BCADHM O=C([O-])CNC(=O)CN1CCC[C@@H]1C1CC1 ZINC000739808275 600003667 /nfs/dbraw/zinc/00/36/67/600003667.db2.gz COCUEKWLCQOVBQ-SECBINFHSA-N -1 3 226.276 0.062 20 0 BCADHM CCCN(C)CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000393740607 600101254 /nfs/dbraw/zinc/10/12/54/600101254.db2.gz GOOIYGDWICDFKN-SECBINFHSA-N -1 3 228.292 0.261 20 0 BCADHM CN1CC[C@@H](N2CCC(C(=O)[O-])CC2)C1=O ZINC000070583732 600214188 /nfs/dbraw/zinc/21/41/88/600214188.db2.gz SEAWSAMJQDMTTD-SECBINFHSA-N -1 3 226.276 0.014 20 0 BCADHM CC[C@@H]1CN(CCCC(=O)[O-])CCO1 ZINC000036770265 600224235 /nfs/dbraw/zinc/22/42/35/600224235.db2.gz DFQUIWNNNHTIDC-SECBINFHSA-N -1 3 201.266 0.962 20 0 BCADHM C[C@H](C(=O)N[C@@H](C)C(=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000251879287 600440849 /nfs/dbraw/zinc/44/08/49/600440849.db2.gz RBNQDSPZAMQTBJ-DOLQZWNJSA-N -1 3 242.319 0.837 20 0 BCADHM CNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000041793767 600459689 /nfs/dbraw/zinc/45/96/89/600459689.db2.gz DQPDRJKKTZAZLC-UHFFFAOYSA-N -1 3 214.265 0.110 20 0 BCADHM C[C@@H]1CC[C@H](C)N1CC(=O)NCC(=O)[O-] ZINC000308821698 600756556 /nfs/dbraw/zinc/75/65/56/600756556.db2.gz CGGGIDIXVDMHKT-OCAPTIKFSA-N -1 3 214.265 0.060 20 0 BCADHM CN(Cc1ccco1)C[C@@](C)(O)C(=O)[O-] ZINC000070714216 600760387 /nfs/dbraw/zinc/76/03/87/600760387.db2.gz KQIRNLPULZHQJZ-SNVBAGLBSA-N -1 3 213.233 0.547 20 0 BCADHM C[C@@](O)(CN1CCc2sccc2C1)C(=O)[O-] ZINC000070714056 600760754 /nfs/dbraw/zinc/76/07/54/600760754.db2.gz DWIWKEZFEQJBQC-LLVKDONJSA-N -1 3 241.312 0.942 20 0 BCADHM CCCN(C)CC(=O)N[C@](C)(CC)C(=O)[O-] ZINC000737007287 600786389 /nfs/dbraw/zinc/78/63/89/600786389.db2.gz DOVXPYHOBXCDAQ-LLVKDONJSA-N -1 3 230.308 0.698 20 0 BCADHM OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000095158499 607470629 /nfs/dbraw/zinc/47/06/29/607470629.db2.gz LGTLJAACNREGEZ-UHFFFAOYSA-N -1 3 206.205 0.238 20 0 BCADHM OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000095158499 607470631 /nfs/dbraw/zinc/47/06/31/607470631.db2.gz LGTLJAACNREGEZ-UHFFFAOYSA-N -1 3 206.205 0.238 20 0 BCADHM CN(CC(=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000381119622 601028997 /nfs/dbraw/zinc/02/89/97/601028997.db2.gz IFZDMRCUVNTJQI-DTWKUNHWSA-N -1 3 249.332 0.359 20 0 BCADHM COCCN(C/C=C(/C)C(=O)[O-])CCOC ZINC000084002598 601154747 /nfs/dbraw/zinc/15/47/47/601154747.db2.gz MYQSXRWVUXZZEZ-WMZJFQQLSA-N -1 3 231.292 0.612 20 0 BCADHM CN(CC1(CO)CC1)c1cc(=O)[n-]cn1 ZINC000893381868 634378592 /nfs/dbraw/zinc/37/85/92/634378592.db2.gz LBOYBQRKHVQBKH-UHFFFAOYSA-N -1 3 209.249 0.391 20 0 BCADHM CCCNC(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000082557912 601532168 /nfs/dbraw/zinc/53/21/68/601532168.db2.gz WKTVBAUOJFANHN-RKDXNWHRSA-N -1 3 228.292 0.165 20 0 BCADHM C[C@@]1(C(=O)[O-])CCN(CCCS(C)(=O)=O)C1 ZINC000063016159 601913195 /nfs/dbraw/zinc/91/31/95/601913195.db2.gz ZNQFGZHESGEKPQ-SNVBAGLBSA-N -1 3 249.332 0.218 20 0 BCADHM C[C@@H](CN1CCC[C@H]1C(=O)[O-])CS(C)(=O)=O ZINC000705560045 601957666 /nfs/dbraw/zinc/95/76/66/601957666.db2.gz BHVLQVPIZSNYDI-IUCAKERBSA-N -1 3 249.332 0.216 20 0 BCADHM C[C@@H](NCCNC(=O)[O-])c1ccncc1 ZINC000739035600 602046006 /nfs/dbraw/zinc/04/60/06/602046006.db2.gz QDSYXUWDMDWSMY-MRVPVSSYSA-N -1 3 209.249 1.000 20 0 BCADHM Cn1ncc2c1CCC[C@H]2NCCNC(=O)[O-] ZINC000740298982 602049131 /nfs/dbraw/zinc/04/91/31/602049131.db2.gz ZJBMHUBQSNUADH-SECBINFHSA-N -1 3 238.291 0.655 20 0 BCADHM O=C([O-])NCCNCc1cccc(O)c1 ZINC000740662091 602055667 /nfs/dbraw/zinc/05/56/67/602055667.db2.gz CSLBHXDJESBKFA-UHFFFAOYSA-N -1 3 210.233 0.749 20 0 BCADHM CC(C)[C@@H](C(=O)NCCC(=O)[O-])N(C)C ZINC000308886389 602062204 /nfs/dbraw/zinc/06/22/04/602062204.db2.gz VYWCQIRAASYKGN-VIFPVBQESA-N -1 3 216.281 0.164 20 0 BCADHM O=C([O-])N1CCC[C@@H](CNCc2ncc[nH]2)C1 ZINC000740510518 602097007 /nfs/dbraw/zinc/09/70/07/602097007.db2.gz AIMRXSCBJHPMON-VIFPVBQESA-N -1 3 238.291 0.889 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000258648716 602170698 /nfs/dbraw/zinc/17/06/98/602170698.db2.gz FVAXHQYXAMDWFG-UWVGGRQHSA-N -1 3 242.319 0.650 20 0 BCADHM Cc1nnc(CN[C@H](C(=O)[O-])C(C)(C)C)n1C ZINC000393177238 602224084 /nfs/dbraw/zinc/22/40/84/602224084.db2.gz JQPGKBHIERYRMM-SECBINFHSA-N -1 3 240.307 0.712 20 0 BCADHM C[C@@H](NC(=O)[C@@H](C)N1[C@H](C)CC[C@H]1C)C(=O)[O-] ZINC000252449166 602273064 /nfs/dbraw/zinc/27/30/64/602273064.db2.gz RBNQDSPZAMQTBJ-ZYUZMQFOSA-N -1 3 242.319 0.837 20 0 BCADHM CCCN(C)CC(=O)NCCCN(C)C(=O)[O-] ZINC000739347115 602457468 /nfs/dbraw/zinc/45/74/68/602457468.db2.gz CUUZPJOIGHQRFH-UHFFFAOYSA-N -1 3 245.323 0.444 20 0 BCADHM CCCN(CCN(C)C)C(=O)[C@@H](C)NC(=O)[O-] ZINC000739357750 602520336 /nfs/dbraw/zinc/52/03/36/602520336.db2.gz VJCAQMNBUFSJQM-SECBINFHSA-N -1 3 245.323 0.443 20 0 BCADHM CC(C)OCCN(C)[C@H](C)CNC(=O)[O-] ZINC000738860024 602560668 /nfs/dbraw/zinc/56/06/68/602560668.db2.gz ZPKBCVFZUBWPBD-SECBINFHSA-N -1 3 218.297 0.999 20 0 BCADHM Cc1n[nH]cc1CNC[C@H]1CCCN1C(=O)[O-] ZINC000740206342 602594401 /nfs/dbraw/zinc/59/44/01/602594401.db2.gz BDXRVKFJLBXFRX-SNVBAGLBSA-N -1 3 238.291 0.950 20 0 BCADHM C[C@H](NCCNC(=O)[O-])c1cccnc1 ZINC000739036161 602650135 /nfs/dbraw/zinc/65/01/35/602650135.db2.gz QLVJEILSIHYLCC-QMMMGPOBSA-N -1 3 209.249 1.000 20 0 BCADHM CCN1CCN([C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739453335 602671536 /nfs/dbraw/zinc/67/15/36/602671536.db2.gz GDQVUMKGGAWLPQ-JTQLQIEISA-N -1 3 227.308 0.376 20 0 BCADHM CCN1CCN([C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739453337 602671640 /nfs/dbraw/zinc/67/16/40/602671640.db2.gz GDQVUMKGGAWLPQ-SNVBAGLBSA-N -1 3 227.308 0.376 20 0 BCADHM O=C([O-])N1CC[C@@H](CCNCc2cc[nH]n2)C1 ZINC000740498854 602687397 /nfs/dbraw/zinc/68/73/97/602687397.db2.gz VMFPJHABUMUQFD-SECBINFHSA-N -1 3 238.291 0.889 20 0 BCADHM CC(C)[C@@H](CNCc1cncn1C)NC(=O)[O-] ZINC000738792441 602790619 /nfs/dbraw/zinc/79/06/19/602790619.db2.gz HBSOIZMRNOPQDK-SNVBAGLBSA-N -1 3 240.307 0.802 20 0 BCADHM Cc1ncc(CN[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000740231419 602878530 /nfs/dbraw/zinc/87/85/30/602878530.db2.gz JBTZWIMXFGSEIK-JTQLQIEISA-N -1 3 236.275 0.627 20 0 BCADHM Cc1ncc(CN[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000740231420 602878153 /nfs/dbraw/zinc/87/81/53/602878153.db2.gz JBTZWIMXFGSEIK-SNVBAGLBSA-N -1 3 236.275 0.627 20 0 BCADHM Cn1cncc1CN[C@H](CNC(=O)[O-])C1CC1 ZINC000740294057 603071673 /nfs/dbraw/zinc/07/16/73/603071673.db2.gz IPTNMMLRUQTWGD-SNVBAGLBSA-N -1 3 238.291 0.556 20 0 BCADHM CCCN(C)CC(=O)N(C)CCCNC(=O)[O-] ZINC000739346166 603310552 /nfs/dbraw/zinc/31/05/52/603310552.db2.gz OVGKXAOXIQGJDF-UHFFFAOYSA-N -1 3 245.323 0.444 20 0 BCADHM CCN1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739461498 603322124 /nfs/dbraw/zinc/32/21/24/603322124.db2.gz UELCPHADMGBDPR-LLVKDONJSA-N -1 3 241.335 0.624 20 0 BCADHM NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826392324 607646993 /nfs/dbraw/zinc/64/69/93/607646993.db2.gz URFPZMGVFARISG-UHFFFAOYSA-N -1 3 244.258 0.524 20 0 BCADHM NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826392324 607646995 /nfs/dbraw/zinc/64/69/95/607646995.db2.gz URFPZMGVFARISG-UHFFFAOYSA-N -1 3 244.258 0.524 20 0 BCADHM CC(C)OC[C@H](O)CN1CC[C@@H](NC(=O)[O-])C1 ZINC000738857056 604368900 /nfs/dbraw/zinc/36/89/00/604368900.db2.gz BJTUEMZVEWDMHA-NXEZZACHSA-N -1 3 246.307 0.114 20 0 BCADHM CC(C)OC[C@@H](O)CN1CC[C@@H](NC(=O)[O-])C1 ZINC000738857059 604369104 /nfs/dbraw/zinc/36/91/04/604369104.db2.gz BJTUEMZVEWDMHA-ZJUUUORDSA-N -1 3 246.307 0.114 20 0 BCADHM Cn1cc(CCN2CC[C@@H](NC(=O)[O-])C2)cn1 ZINC000740286210 604369660 /nfs/dbraw/zinc/36/96/60/604369660.db2.gz KASDIUQGQNUEDV-SNVBAGLBSA-N -1 3 238.291 0.305 20 0 BCADHM CCOCCN1CC[C@@H](NC(=O)[O-])C1 ZINC000739493986 604380953 /nfs/dbraw/zinc/38/09/53/604380953.db2.gz WYXGKWPPSKMPQD-MRVPVSSYSA-N -1 3 202.254 0.365 20 0 BCADHM CC(C)[C@H](C(=O)NCCN(C)C(=O)[O-])N(C)C ZINC000738763625 604452611 /nfs/dbraw/zinc/45/26/11/604452611.db2.gz IVWWKDNLDZJFSA-SECBINFHSA-N -1 3 245.323 0.299 20 0 BCADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])o2)C[C@@H]1O ZINC000388139801 604568789 /nfs/dbraw/zinc/56/87/89/604568789.db2.gz GBKCARAUECXTDQ-CBAPKCEASA-N -1 3 225.244 0.790 20 0 BCADHM Cn1nncc1CN1CCC[C@H]1CC(=O)[O-] ZINC000394961258 604659331 /nfs/dbraw/zinc/65/93/31/604659331.db2.gz PTMQIGDJNNDHBC-QMMMGPOBSA-N -1 3 224.264 0.254 20 0 BCADHM C[C@@H]1CN([C@H](C(=O)[O-])c2cccnc2)CCN1C ZINC000107913943 604929869 /nfs/dbraw/zinc/92/98/69/604929869.db2.gz MYJZLGHGLWDPQU-PWSUYJOCSA-N -1 3 249.314 0.843 20 0 BCADHM CN(C)C(=O)CCNCc1ccoc1C(=O)[O-] ZINC000234235875 605087777 /nfs/dbraw/zinc/08/77/77/605087777.db2.gz IMOMWLCNUGHKIN-UHFFFAOYSA-N -1 3 240.259 0.546 20 0 BCADHM CC[S@](=O)CCNCc1ccoc1C(=O)[O-] ZINC000234128825 605093207 /nfs/dbraw/zinc/09/32/07/605093207.db2.gz PMYVKVKBLQVUTG-INIZCTEOSA-N -1 3 245.300 0.836 20 0 BCADHM CCC[C@@H](C(=O)NCCC(=O)[O-])N(C)C ZINC000820304777 605144744 /nfs/dbraw/zinc/14/47/44/605144744.db2.gz XRFPBTWPDRQHJU-QMMMGPOBSA-N -1 3 216.281 0.308 20 0 BCADHM CC(=O)N1CCN(CCC(=O)[O-])C(C)(C)C1 ZINC000309638239 605201758 /nfs/dbraw/zinc/20/17/58/605201758.db2.gz TZWVIUMKOXMLTP-UHFFFAOYSA-N -1 3 228.292 0.404 20 0 BCADHM CNC(=O)CCN1C[C@@H](C)N(C(=O)[O-])C[C@H]1C ZINC000833874878 605814283 /nfs/dbraw/zinc/81/42/83/605814283.db2.gz BUWZSYXKKYQNHR-RKDXNWHRSA-N -1 3 243.307 0.195 20 0 BCADHM CS(=O)(=O)CCN1CCCCC[C@@H]1C(=O)[O-] ZINC000080991850 605852921 /nfs/dbraw/zinc/85/29/21/605852921.db2.gz FIEKRRDZNOUDNA-SECBINFHSA-N -1 3 249.332 0.360 20 0 BCADHM CC(C)OC[C@@H](O)CN1CC[C@H](NC(=O)[O-])C1 ZINC000738857057 605913432 /nfs/dbraw/zinc/91/34/32/605913432.db2.gz BJTUEMZVEWDMHA-UWVGGRQHSA-N -1 3 246.307 0.114 20 0 BCADHM O=C([O-])N[C@H]1CCN(C[C@@H]2CCCO2)C1 ZINC000740595334 605919441 /nfs/dbraw/zinc/91/94/41/605919441.db2.gz TZLMBCRXBFAOIB-IUCAKERBSA-N -1 3 214.265 0.507 20 0 BCADHM CC(C)[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC000095149026 606102655 /nfs/dbraw/zinc/10/26/55/606102655.db2.gz WTQTZFUNYIKFBF-SECBINFHSA-N -1 3 248.290 0.691 20 0 BCADHM CC(C)[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC000095149026 606102657 /nfs/dbraw/zinc/10/26/57/606102657.db2.gz WTQTZFUNYIKFBF-SECBINFHSA-N -1 3 248.290 0.691 20 0 BCADHM CC(C)CNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000095150001 606206596 /nfs/dbraw/zinc/20/65/96/606206596.db2.gz OHPYVVPGNRDNPY-UHFFFAOYSA-N -1 3 248.290 0.591 20 0 BCADHM CC(C)CNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000095150001 606206598 /nfs/dbraw/zinc/20/65/98/606206598.db2.gz OHPYVVPGNRDNPY-UHFFFAOYSA-N -1 3 248.290 0.591 20 0 BCADHM C[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000820628354 606243640 /nfs/dbraw/zinc/24/36/40/606243640.db2.gz ABYPZYMYOJTLJX-LLVKDONJSA-N -1 3 246.274 0.223 20 0 BCADHM C[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000820628354 606243642 /nfs/dbraw/zinc/24/36/42/606243642.db2.gz ABYPZYMYOJTLJX-LLVKDONJSA-N -1 3 246.274 0.223 20 0 BCADHM CN(C(=O)c1cc(-c2nnn[n-]2)cn1C)C1CC1 ZINC000095216271 606237014 /nfs/dbraw/zinc/23/70/14/606237014.db2.gz HHZVSEYRRHIMDB-UHFFFAOYSA-N -1 3 246.274 0.440 20 0 BCADHM CN(C(=O)c1cc(-c2nn[n-]n2)cn1C)C1CC1 ZINC000095216271 606237016 /nfs/dbraw/zinc/23/70/16/606237016.db2.gz HHZVSEYRRHIMDB-UHFFFAOYSA-N -1 3 246.274 0.440 20 0 BCADHM OCCCOc1ccc(-c2nnn[n-]2)cc1F ZINC000095152394 607171105 /nfs/dbraw/zinc/17/11/05/607171105.db2.gz FBPQRJHTEVAJBO-UHFFFAOYSA-N -1 3 238.222 0.767 20 0 BCADHM OCCCOc1ccc(-c2nn[n-]n2)cc1F ZINC000095152394 607171106 /nfs/dbraw/zinc/17/11/06/607171106.db2.gz FBPQRJHTEVAJBO-UHFFFAOYSA-N -1 3 238.222 0.767 20 0 BCADHM CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000819826628 607248343 /nfs/dbraw/zinc/24/83/43/607248343.db2.gz MGHGGRLPSOPODE-UHFFFAOYSA-N -1 3 222.179 0.931 20 0 BCADHM CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000819826628 607248344 /nfs/dbraw/zinc/24/83/44/607248344.db2.gz MGHGGRLPSOPODE-UHFFFAOYSA-N -1 3 222.179 0.931 20 0 BCADHM c1cc(CNc2cccc(-c3nnn[n-]3)n2)n[nH]1 ZINC000095147456 607896019 /nfs/dbraw/zinc/89/60/19/607896019.db2.gz UEODOOJVMCPCBA-UHFFFAOYSA-N -1 3 242.246 0.597 20 0 BCADHM C[C@H](CO)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC000824440948 608123294 /nfs/dbraw/zinc/12/32/94/608123294.db2.gz LRWTYRWFXKTPLI-SSDOTTSWSA-N -1 3 234.263 0.079 20 0 BCADHM C[C@H](CO)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC000824440948 608123295 /nfs/dbraw/zinc/12/32/95/608123295.db2.gz LRWTYRWFXKTPLI-SSDOTTSWSA-N -1 3 234.263 0.079 20 0 BCADHM CC(=O)NOCc1cccc(-c2nn[n-]n2)c1 ZINC000823994304 608151681 /nfs/dbraw/zinc/15/16/81/608151681.db2.gz FONXYDALFUYBTO-UHFFFAOYSA-N -1 3 233.231 0.434 20 0 BCADHM C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000095244952 608552037 /nfs/dbraw/zinc/55/20/37/608552037.db2.gz ILRYKNSCXNYTCI-SSDOTTSWSA-N -1 3 219.248 0.659 20 0 BCADHM C[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC000095245080 608551954 /nfs/dbraw/zinc/55/19/54/608551954.db2.gz IXOBLCYBFTZPLW-ZCFIWIBFSA-N -1 3 237.238 0.799 20 0 BCADHM C[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC000095245080 608551955 /nfs/dbraw/zinc/55/19/55/608551955.db2.gz IXOBLCYBFTZPLW-ZCFIWIBFSA-N -1 3 237.238 0.799 20 0 BCADHM C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1F ZINC000095244994 608552201 /nfs/dbraw/zinc/55/22/01/608552201.db2.gz LRCPHQCAGSZLGL-ZCFIWIBFSA-N -1 3 237.238 0.799 20 0 BCADHM CC[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000095258542 609381421 /nfs/dbraw/zinc/38/14/21/609381421.db2.gz DOXZCTKDXAVJMU-SECBINFHSA-N -1 3 247.258 0.509 20 0 BCADHM CC[C@H](C(=O)[N-]OC[C@H]1CCOC1)N(C)C ZINC000188337846 635269889 /nfs/dbraw/zinc/26/98/89/635269889.db2.gz ANVBYLSOSUCALV-VHSXEESVSA-N -1 3 230.308 0.411 20 0 BCADHM CCOc1nnc(NC(=O)[C@@](C)(CC)OC)[n-]1 ZINC000233810578 635542436 /nfs/dbraw/zinc/54/24/36/635542436.db2.gz DTEZYNZVPAJGKK-SNVBAGLBSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1nc(NC(=O)[C@@](C)(CC)OC)n[n-]1 ZINC000233810578 635542448 /nfs/dbraw/zinc/54/24/48/635542448.db2.gz DTEZYNZVPAJGKK-SNVBAGLBSA-N -1 3 242.279 0.957 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@](C)(CC)OC)n1 ZINC000233810578 635542450 /nfs/dbraw/zinc/54/24/50/635542450.db2.gz DTEZYNZVPAJGKK-SNVBAGLBSA-N -1 3 242.279 0.957 20 0 BCADHM CCC[C@@H](O)[C@H](CO)Nc1cc(=O)[n-]cn1 ZINC000894189579 635745359 /nfs/dbraw/zinc/74/53/59/635745359.db2.gz JYJXEMBJOCQZNP-JGVFFNPUSA-N -1 3 227.264 0.116 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1ccco1 ZINC000427139552 632093306 /nfs/dbraw/zinc/09/33/06/632093306.db2.gz HVBYDHPDGNLCOY-UHFFFAOYSA-N -1 3 249.226 0.970 20 0 BCADHM CC1(C)[C@H](O)C[C@H]1Nc1cc(=O)[n-]cn1 ZINC000168302469 632460346 /nfs/dbraw/zinc/46/03/46/632460346.db2.gz QSHPVZMHVSAHFH-RNFRBKRXSA-N -1 3 209.249 0.341 20 0 BCADHM CCOc1nnc(NC(=O)CCOC)[n-]1 ZINC000162061117 632502746 /nfs/dbraw/zinc/50/27/46/632502746.db2.gz OFSDMAHLZHRQIL-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM CCOc1nc(NC(=O)CCOC)n[n-]1 ZINC000162061117 632502753 /nfs/dbraw/zinc/50/27/53/632502753.db2.gz OFSDMAHLZHRQIL-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM CCOc1n[n-]c(NC(=O)CCOC)n1 ZINC000162061117 632502765 /nfs/dbraw/zinc/50/27/65/632502765.db2.gz OFSDMAHLZHRQIL-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM Cc1ccc(C(=O)[N-]NC(=O)[C@H]2CCCO2)nc1 ZINC000160210826 632545668 /nfs/dbraw/zinc/54/56/68/632545668.db2.gz NAVVPYWIHSHJQT-SNVBAGLBSA-N -1 3 249.270 0.330 20 0 BCADHM CC[C@@](C)(NC(=O)c1ccccc1[O-])C(N)=O ZINC000310161129 632707637 /nfs/dbraw/zinc/70/76/37/632707637.db2.gz LLXWSMWYXXUNJD-GFCCVEGCSA-N -1 3 236.271 0.776 20 0 BCADHM C[C@H](O)C1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000235564133 632786259 /nfs/dbraw/zinc/78/62/59/632786259.db2.gz XNQPJSRGAXIIHA-QMMMGPOBSA-N -1 3 223.276 0.367 20 0 BCADHM Cc1nc(NC[C@H](O)C(F)(F)F)cc(=O)[n-]1 ZINC000235791570 632829925 /nfs/dbraw/zinc/82/99/25/632829925.db2.gz HUTDFEAPYYDTRW-YFKPBYRVSA-N -1 3 237.181 0.826 20 0 BCADHM Cc1nc(N2CC[C@](C)(O)C2)cc(=O)[n-]1 ZINC000235932598 632853649 /nfs/dbraw/zinc/85/36/49/632853649.db2.gz DAUGFLOPDXZFQF-JTQLQIEISA-N -1 3 209.249 0.452 20 0 BCADHM O=c1cc(NCCOC[C@@H]2CCCO2)nc[n-]1 ZINC000892555670 632968687 /nfs/dbraw/zinc/96/86/87/632968687.db2.gz UUOZPAZGEPVKFZ-VIFPVBQESA-N -1 3 239.275 0.790 20 0 BCADHM CCC(C)(C)NC(=O)CO[N-]C(C)=O ZINC000178195481 632985852 /nfs/dbraw/zinc/98/58/52/632985852.db2.gz XHCTWADVSJNHHS-UHFFFAOYSA-N -1 3 202.254 0.359 20 0 BCADHM CC(=O)[N-]OCC(=O)Nc1cc(F)ccc1F ZINC000178195093 632986585 /nfs/dbraw/zinc/98/65/85/632986585.db2.gz LAQGAZSNIPBNRJ-UHFFFAOYSA-N -1 3 244.197 0.971 20 0 BCADHM CC(=O)[N-]OCC(=O)NC(C1CC1)C1CC1 ZINC000178195177 632986591 /nfs/dbraw/zinc/98/65/91/632986591.db2.gz CZOUMCQGVWEQTE-UHFFFAOYSA-N -1 3 226.276 0.359 20 0 BCADHM Cn1nnc([N-]C(=O)c2ccc(Cl)o2)n1 ZINC000229762061 632991238 /nfs/dbraw/zinc/99/12/38/632991238.db2.gz JXIXGPDLQIRLCZ-UHFFFAOYSA-N -1 3 227.611 0.709 20 0 BCADHM O=C([O-])c1cc(N[C@H]2CCN(C3CC3)C2)ncn1 ZINC000310821468 633002097 /nfs/dbraw/zinc/00/20/97/633002097.db2.gz XGAOYTHUJPXEKG-QMMMGPOBSA-N -1 3 248.286 0.823 20 0 BCADHM O=c1cc(N2CCC(C3(O)CC3)CC2)nc[n-]1 ZINC000894379257 635871291 /nfs/dbraw/zinc/87/12/91/635871291.db2.gz KQHUYHOWHZHTEQ-UHFFFAOYSA-N -1 3 235.287 0.924 20 0 BCADHM Cc1nc(N[C@H](C)C(=O)NC(C)C)cc(=O)[n-]1 ZINC000162767022 633038340 /nfs/dbraw/zinc/03/83/40/633038340.db2.gz AUFVBWHUICHRER-SSDOTTSWSA-N -1 3 238.291 0.816 20 0 BCADHM Cc1nc(NCc2ccnn2C)cc(=O)[n-]1 ZINC000165817136 633098384 /nfs/dbraw/zinc/09/83/84/633098384.db2.gz IXFJBCOKDQRBOG-UHFFFAOYSA-N -1 3 219.248 0.836 20 0 BCADHM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1[O-] ZINC000928431618 635917618 /nfs/dbraw/zinc/91/76/18/635917618.db2.gz ADTSGWOGRNVIKO-HTQZYQBOSA-N -1 3 238.291 0.246 20 0 BCADHM Fc1cnc(N2CCC(c3nnn[n-]3)CC2)cn1 ZINC000895007225 636015399 /nfs/dbraw/zinc/01/53/99/636015399.db2.gz ZNJXZNYMYKMRQR-UHFFFAOYSA-N -1 3 249.253 0.513 20 0 BCADHM Fc1cnc(N2CCC(c3nn[n-]n3)CC2)cn1 ZINC000895007225 636015404 /nfs/dbraw/zinc/01/54/04/636015404.db2.gz ZNJXZNYMYKMRQR-UHFFFAOYSA-N -1 3 249.253 0.513 20 0 BCADHM C[C@@H](CCS(C)(=O)=O)Nc1cc(=O)[n-]cn1 ZINC000892927641 633730579 /nfs/dbraw/zinc/73/05/79/633730579.db2.gz BLKBPALKLUKXLZ-ZETCQYMHSA-N -1 3 245.304 0.417 20 0 BCADHM Cc1cc(NC(=O)[N-]OCC(N)=O)ccc1F ZINC000180675388 633897938 /nfs/dbraw/zinc/89/79/38/633897938.db2.gz GOZKHZVYPYSWSS-UHFFFAOYSA-N -1 3 241.222 0.673 20 0 BCADHM O=C([N-]OCc1ccccn1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000909522283 636151644 /nfs/dbraw/zinc/15/16/44/636151644.db2.gz GEFQAKRNEMAOKW-YUSALJHKSA-N -1 3 246.266 0.855 20 0 BCADHM CCOCCO[N-]C(=O)CN(CC)CC ZINC000187148664 634097058 /nfs/dbraw/zinc/09/70/58/634097058.db2.gz UDRKBRVSLVKDJB-UHFFFAOYSA-N -1 3 218.297 0.413 20 0 BCADHM CO[C@@H](C)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000189243956 634174013 /nfs/dbraw/zinc/17/40/13/634174013.db2.gz XKCYDRBXAJGRQO-IUCAKERBSA-N -1 3 217.265 0.496 20 0 BCADHM O=C(CC[C@@H]1CCOC1)[N-]OC[C@@H]1CCOC1 ZINC000189257253 634176185 /nfs/dbraw/zinc/17/61/85/634176185.db2.gz ZJUCXFIERRSHPV-GHMZBOCLSA-N -1 3 243.303 0.887 20 0 BCADHM CC[C@H](CO)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931312118 634326588 /nfs/dbraw/zinc/32/65/88/634326588.db2.gz PMCGLGMWBQXHDF-MRVPVSSYSA-N -1 3 223.276 0.577 20 0 BCADHM CC(=O)N1CCN(c2cc(=O)[n-]c(C)n2)CC1 ZINC000162792527 634369934 /nfs/dbraw/zinc/36/99/34/634369934.db2.gz XWWSBOVJHPMJEM-UHFFFAOYSA-N -1 3 236.275 0.159 20 0 BCADHM Cc1nc(N(C)CC(=O)NC(C)C)cc(=O)[n-]1 ZINC000162828197 635136555 /nfs/dbraw/zinc/13/65/55/635136555.db2.gz WQCCJRSSPHVCDQ-UHFFFAOYSA-N -1 3 238.291 0.451 20 0 BCADHM CC[C@H](C(=O)[O-])C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000258775317 635195362 /nfs/dbraw/zinc/19/53/62/635195362.db2.gz MNHCEKAEBILZLZ-UWVGGRQHSA-N -1 3 242.319 0.650 20 0 BCADHM CO[C@H](C)Cc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351367124 636472001 /nfs/dbraw/zinc/47/20/01/636472001.db2.gz HWCTUYKMYYBXKU-ZCFIWIBFSA-N -1 3 236.231 0.810 20 0 BCADHM O=C([O-])[C@H]1C[C@@H](Nc2ccnc(CO)c2)C1 ZINC000873065623 636977031 /nfs/dbraw/zinc/97/70/31/636977031.db2.gz HEWULNRVMGRGKV-OTSSQURYSA-N -1 3 222.244 0.849 20 0 BCADHM Cc1cn(C)nc1CSCCc1nnn[n-]1 ZINC000901566727 637260837 /nfs/dbraw/zinc/26/08/37/637260837.db2.gz VPWATAKZRBQPIP-UHFFFAOYSA-N -1 3 238.320 0.718 20 0 BCADHM Cc1cn(C)nc1CSCCc1nn[n-]n1 ZINC000901566727 637260842 /nfs/dbraw/zinc/26/08/42/637260842.db2.gz VPWATAKZRBQPIP-UHFFFAOYSA-N -1 3 238.320 0.718 20 0 BCADHM C[C@H]1C[C@H]1C(=O)CSCCc1nnn[n-]1 ZINC000901566334 637261104 /nfs/dbraw/zinc/26/11/04/637261104.db2.gz QCAPJWROZXVBNZ-NKWVEPMBSA-N -1 3 226.305 0.701 20 0 BCADHM C[C@H]1C[C@H]1C(=O)CSCCc1nn[n-]n1 ZINC000901566334 637261125 /nfs/dbraw/zinc/26/11/25/637261125.db2.gz QCAPJWROZXVBNZ-NKWVEPMBSA-N -1 3 226.305 0.701 20 0 BCADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC1 ZINC000436757609 637719171 /nfs/dbraw/zinc/71/91/71/637719171.db2.gz VDBKOLIFFDBFRG-UHFFFAOYSA-N -1 3 221.212 0.967 20 0 BCADHM C[C@](Cn1cccn1)(NCc1cn[nH]c1)C(=O)[O-] ZINC000905805798 637934553 /nfs/dbraw/zinc/93/45/53/637934553.db2.gz AJIVLAJQFQZTFT-LLVKDONJSA-N -1 3 249.274 0.239 20 0 BCADHM C[C@@H](C(=O)Nc1ccncc1[O-])[C@@H]1CCCO1 ZINC000907158867 638314972 /nfs/dbraw/zinc/31/49/72/638314972.db2.gz ZHQZFFJCFLVERG-KCJUWKMLSA-N -1 3 236.271 0.963 20 0 BCADHM O=C(CC1(O)CCOCC1)[N-]OCCC1CC1 ZINC000908383482 638679945 /nfs/dbraw/zinc/67/99/45/638679945.db2.gz PAOVYIGDMSYZID-UHFFFAOYSA-N -1 3 243.303 0.766 20 0 BCADHM CCN(CC(C)=O)C(=O)c1cc(=O)[n-]cn1 ZINC000908393714 638692541 /nfs/dbraw/zinc/69/25/41/638692541.db2.gz LNEPVWVXLZSNGF-UHFFFAOYSA-N -1 3 223.232 0.233 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)NC1CC(=O)C1 ZINC000908465635 638726403 /nfs/dbraw/zinc/72/64/03/638726403.db2.gz OHXCXQOMMFYVSX-UHFFFAOYSA-N -1 3 237.230 0.922 20 0 BCADHM O=C([N-]OC1CCC1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000908569827 639018765 /nfs/dbraw/zinc/01/87/65/639018765.db2.gz WZLRCBBLRYDFJJ-SZEHBUNVSA-N -1 3 209.245 0.812 20 0 BCADHM CCCN(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908766887 639064846 /nfs/dbraw/zinc/06/48/46/639064846.db2.gz VAGHWUBBKABUAP-SNVBAGLBSA-N -1 3 242.319 0.651 20 0 BCADHM CC[C@@](C)(NC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000908927767 639102926 /nfs/dbraw/zinc/10/29/26/639102926.db2.gz NPEDUJHAUWZLTO-LLVKDONJSA-N -1 3 230.308 0.696 20 0 BCADHM CCN(CC(=O)[O-])C(=O)C1(N(C)C)CCC1 ZINC000908952627 639109781 /nfs/dbraw/zinc/10/97/81/639109781.db2.gz MBOZMKVEJLAYIA-UHFFFAOYSA-N -1 3 228.292 0.404 20 0 BCADHM CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000909130888 639153057 /nfs/dbraw/zinc/15/30/57/639153057.db2.gz FSILVDATBBLHIF-IUCAKERBSA-N -1 3 228.292 0.449 20 0 BCADHM CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000909130887 639153907 /nfs/dbraw/zinc/15/39/07/639153907.db2.gz FSILVDATBBLHIF-DTWKUNHWSA-N -1 3 228.292 0.449 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)COC(=O)c1cnn[n-]1 ZINC000909310828 639202473 /nfs/dbraw/zinc/20/24/73/639202473.db2.gz DKQXDUCEOWADBN-PHDIDXHHSA-N -1 3 209.205 0.187 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)COC(=O)c1c[n-]nn1 ZINC000909310828 639202476 /nfs/dbraw/zinc/20/24/76/639202476.db2.gz DKQXDUCEOWADBN-PHDIDXHHSA-N -1 3 209.205 0.187 20 0 BCADHM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1c[nH]cn1 ZINC000909314339 639205301 /nfs/dbraw/zinc/20/53/01/639205301.db2.gz USRDWNBTJBRBRZ-QMMMGPOBSA-N -1 3 239.275 0.664 20 0 BCADHM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cc1c[nH]cn1 ZINC000909801001 639221138 /nfs/dbraw/zinc/22/11/38/639221138.db2.gz WBTUZCDNKUIQCO-CBAPKCEASA-N -1 3 237.259 0.274 20 0 BCADHM CCC[C@@H](CNC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000909814473 639228977 /nfs/dbraw/zinc/22/89/77/639228977.db2.gz OLMATSGBHFAWNJ-JTQLQIEISA-N -1 3 244.335 0.944 20 0 BCADHM O=C([O-])C12CC(C1)CN2C(=O)Cc1c[nH]cn1 ZINC000909950035 639289170 /nfs/dbraw/zinc/28/91/70/639289170.db2.gz XAKGRZQXOMZQOZ-UHFFFAOYSA-N -1 3 235.243 0.028 20 0 BCADHM C[C@H](CNc1ccncc1CO)C(=O)[O-] ZINC000910312609 639410125 /nfs/dbraw/zinc/41/01/25/639410125.db2.gz MJTWWZIAGUTORW-SSDOTTSWSA-N -1 3 210.233 0.128 20 0 BCADHM O=C([O-])CC1CC(Nc2ccncc2CO)C1 ZINC000910332790 639415872 /nfs/dbraw/zinc/41/58/72/639415872.db2.gz DCTBFJRSVBXANJ-UHFFFAOYSA-N -1 3 236.271 0.661 20 0 BCADHM O=C([O-])[C@@H]1[C@@H]2CN(c3ccnc(CO)c3)CC[C@@H]21 ZINC000910332812 639415931 /nfs/dbraw/zinc/41/59/31/639415931.db2.gz FFOIQVVIHHIQCR-TUAOUCFPSA-N -1 3 248.282 0.731 20 0 BCADHM O=C([O-])CCCNc1ccncc1CO ZINC000910398168 639429914 /nfs/dbraw/zinc/42/99/14/639429914.db2.gz YAMMYQIMDOTHNT-UHFFFAOYSA-N -1 3 210.233 0.273 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000910985606 639556093 /nfs/dbraw/zinc/55/60/93/639556093.db2.gz AOBZVIVVSXXSAM-BBBLOLIVSA-N -1 3 242.319 0.552 20 0 BCADHM CON(C)CC[N-]C(=O)C(F)(F)C(F)F ZINC000912163134 639981602 /nfs/dbraw/zinc/98/16/02/639981602.db2.gz UTTWPWRABFDRHU-UHFFFAOYSA-N -1 3 232.177 0.496 20 0 BCADHM CC=CC=CC(=O)NCCCc1c[n-][nH]c1=O ZINC000912470610 640086016 /nfs/dbraw/zinc/08/60/16/640086016.db2.gz UJEWQUKCSWGAKD-PWSWNQIHSA-N -1 3 235.287 0.747 20 0 BCADHM O=C(C=C1CCC1)NCCCc1c[n-][nH]c1=O ZINC000912470068 640086548 /nfs/dbraw/zinc/08/65/48/640086548.db2.gz GYAXCPIDWKZPPO-SNVBAGLBSA-N -1 3 235.287 0.725 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1c[nH]cn1)C2 ZINC000931311820 640147564 /nfs/dbraw/zinc/14/75/64/640147564.db2.gz MWZAKGOADXMGIH-UHFFFAOYSA-N -1 3 231.259 0.730 20 0 BCADHM O=C(NC1CSC1)c1cccc2n[n-]nc21 ZINC000912631279 640149371 /nfs/dbraw/zinc/14/93/71/640149371.db2.gz IVZRIKOFRRGKAT-UHFFFAOYSA-N -1 3 234.284 0.803 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CCC[C@H](C)O)C2 ZINC000931313561 640152429 /nfs/dbraw/zinc/15/24/29/640152429.db2.gz LOTQFQFJQWUYOX-QMMMGPOBSA-N -1 3 237.303 0.967 20 0 BCADHM CO[C@@H](C)CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931313433 640153401 /nfs/dbraw/zinc/15/34/01/640153401.db2.gz IPSUNVABXQADHR-ZETCQYMHSA-N -1 3 223.276 0.841 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CCn1ccnc1)C2 ZINC000931314989 640153588 /nfs/dbraw/zinc/15/35/88/640153588.db2.gz KYBMPEKWLNQQQE-UHFFFAOYSA-N -1 3 245.286 0.703 20 0 BCADHM NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913298878 640347411 /nfs/dbraw/zinc/34/74/11/640347411.db2.gz QXEQETCSHWCCON-UHFFFAOYSA-N -1 3 235.199 0.312 20 0 BCADHM NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913298878 640347418 /nfs/dbraw/zinc/34/74/18/640347418.db2.gz QXEQETCSHWCCON-UHFFFAOYSA-N -1 3 235.199 0.312 20 0 BCADHM CC(=O)[N-]OCC(=O)NCCC(C)(C)C ZINC000151386577 640373652 /nfs/dbraw/zinc/37/36/52/640373652.db2.gz ZCESAIYZWUNYNC-UHFFFAOYSA-N -1 3 216.281 0.607 20 0 BCADHM Cn1nnc(NC([O-])=NOC2CCCC2)n1 ZINC000932268035 640466903 /nfs/dbraw/zinc/46/69/03/640466903.db2.gz VYKWGTACJIMDTL-UHFFFAOYSA-N -1 3 226.240 0.206 20 0 BCADHM Cn1nnc(NC(=O)[N-]OC2CCCC2)n1 ZINC000932268035 640466904 /nfs/dbraw/zinc/46/69/04/640466904.db2.gz VYKWGTACJIMDTL-UHFFFAOYSA-N -1 3 226.240 0.206 20 0 BCADHM CC(=O)NCCNc1cc(=O)[n-]c(C)n1 ZINC000165193086 640546141 /nfs/dbraw/zinc/54/61/41/640546141.db2.gz CBRVIQXZFNPPLK-UHFFFAOYSA-N -1 3 210.237 0.039 20 0 BCADHM Cc1nc(N2CCC[C@@H](CO)C2)cc(=O)[n-]1 ZINC000165369842 640564080 /nfs/dbraw/zinc/56/40/80/640564080.db2.gz MKBVHAQQYKYDOB-SECBINFHSA-N -1 3 223.276 0.699 20 0 BCADHM Cc1nc(N(C)CC(=O)N(C)C)cc(=O)[n-]1 ZINC000165384756 640570155 /nfs/dbraw/zinc/57/01/55/640570155.db2.gz GDDNISMKUOCZLI-UHFFFAOYSA-N -1 3 224.264 0.015 20 0 BCADHM Cc1nc(N2CCC[C@@H](O)C2)cc(=O)[n-]1 ZINC000165390350 640570972 /nfs/dbraw/zinc/57/09/72/640570972.db2.gz DPZRRWLBEQXUBJ-MRVPVSSYSA-N -1 3 209.249 0.452 20 0 BCADHM C[C@]1(O)CCCN(c2cc(=O)[n-]cn2)C1 ZINC000165441873 640577449 /nfs/dbraw/zinc/57/74/49/640577449.db2.gz NVUSMUMRUSVKDP-JTQLQIEISA-N -1 3 209.249 0.121 20 0 BCADHM Cc1nc(N(C)CC[C@H](C)O)cc(=O)[n-]1 ZINC000165443609 640578324 /nfs/dbraw/zinc/57/83/24/640578324.db2.gz ZWDBHQZBDYOERO-ZETCQYMHSA-N -1 3 211.265 0.698 20 0 BCADHM O=C(NC1CN(CCF)C1)c1ccccc1[O-] ZINC001030112386 640603554 /nfs/dbraw/zinc/60/35/54/640603554.db2.gz LNPOUMGYGLAERN-UHFFFAOYSA-N -1 3 238.262 0.776 20 0 BCADHM O=c1[n-]c(CN[C@@H](CCO)C2CCCC2)n[nH]1 ZINC000934010528 640805573 /nfs/dbraw/zinc/80/55/73/640805573.db2.gz ZVLSCPZLAOSQRT-VIFPVBQESA-N -1 3 240.307 0.541 20 0 BCADHM CC(C)(CCO)CNc1cc(=O)[n-]cn1 ZINC000227920726 640853780 /nfs/dbraw/zinc/85/37/80/640853780.db2.gz PTAKUKFEYWPTGC-UHFFFAOYSA-N -1 3 211.265 0.590 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CCCCO2)[n-]1 ZINC000228787587 640896098 /nfs/dbraw/zinc/89/60/98/640896098.db2.gz JRXUDPJKYQUQAP-ZETCQYMHSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CCCCO2)n[n-]1 ZINC000228787587 640896103 /nfs/dbraw/zinc/89/61/03/640896103.db2.gz JRXUDPJKYQUQAP-ZETCQYMHSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CCCCO2)n1 ZINC000228787587 640896109 /nfs/dbraw/zinc/89/61/09/640896109.db2.gz JRXUDPJKYQUQAP-ZETCQYMHSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CCCCO2)[n-]1 ZINC000228787599 640896220 /nfs/dbraw/zinc/89/62/20/640896220.db2.gz JRXUDPJKYQUQAP-SSDOTTSWSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CCCCO2)n[n-]1 ZINC000228787599 640896222 /nfs/dbraw/zinc/89/62/22/640896222.db2.gz JRXUDPJKYQUQAP-SSDOTTSWSA-N -1 3 240.263 0.711 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CCCCO2)n1 ZINC000228787599 640896226 /nfs/dbraw/zinc/89/62/26/640896226.db2.gz JRXUDPJKYQUQAP-SSDOTTSWSA-N -1 3 240.263 0.711 20 0 BCADHM Cc1nc(N2C[C@H](CO)OC[C@H]2C)cc(=O)[n-]1 ZINC000229283909 640941100 /nfs/dbraw/zinc/94/11/00/640941100.db2.gz LUOJVDSPEGCFTQ-VXNVDRBHSA-N -1 3 239.275 0.077 20 0 BCADHM CO[C@H]1CN(c2cc(=O)[n-]cn2)CC[C@@H]1C ZINC000230377182 641050066 /nfs/dbraw/zinc/05/00/66/641050066.db2.gz HHDHQTNHEDAQAH-IUCAKERBSA-N -1 3 223.276 0.631 20 0 BCADHM CCC[C@@](C)(O)CNc1cc(=O)[n-]cn1 ZINC000230686466 641087172 /nfs/dbraw/zinc/08/71/72/641087172.db2.gz RXXPPPAQPYQHNO-SNVBAGLBSA-N -1 3 211.265 0.733 20 0 BCADHM CCC[C@](C)(O)CNc1cc(=O)[n-]cn1 ZINC000230686467 641087784 /nfs/dbraw/zinc/08/77/84/641087784.db2.gz RXXPPPAQPYQHNO-JTQLQIEISA-N -1 3 211.265 0.733 20 0 BCADHM CS[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000231553189 641179961 /nfs/dbraw/zinc/17/99/61/641179961.db2.gz JVLDBPZJUFFAJI-RQJHMYQMSA-N -1 3 226.305 0.819 20 0 BCADHM CCC1(CC(=O)Nc2ccncc2[O-])COC1 ZINC000935126642 641342851 /nfs/dbraw/zinc/34/28/51/641342851.db2.gz RGMUUFHGWAGOIW-UHFFFAOYSA-N -1 3 236.271 0.964 20 0 BCADHM CCCN(C)CC(=O)[N-]O[C@H]1CCCCO1 ZINC000730284998 641366808 /nfs/dbraw/zinc/36/68/08/641366808.db2.gz XMBGBOIWLZGQEL-NSHDSACASA-N -1 3 230.308 0.903 20 0 BCADHM C[C@@H]1OCCO[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000935336319 641388730 /nfs/dbraw/zinc/38/87/30/641388730.db2.gz LSXPLWJFKRTZON-CBAPKCEASA-N -1 3 238.243 0.530 20 0 BCADHM CO[C@@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000935337273 641389049 /nfs/dbraw/zinc/38/90/49/641389049.db2.gz WHMIIAZKNPSRHV-HTRCEHHLSA-N -1 3 208.217 0.761 20 0 BCADHM Cn1cnc(/C=C\C(=O)[N-]OCC(F)F)c1 ZINC000935389677 641400871 /nfs/dbraw/zinc/40/08/71/641400871.db2.gz YSZWZMYIHKYDSY-IHWYPQMZSA-N -1 3 231.202 0.746 20 0 BCADHM CCOCCO[N-]C(=O)CCc1cc(C)on1 ZINC000935453755 641411056 /nfs/dbraw/zinc/41/10/56/641411056.db2.gz HHLOVWCFOVGIIP-UHFFFAOYSA-N -1 3 242.275 1.000 20 0 BCADHM Cc1nnn(NC([O-])=CC(F)(F)F)c1C ZINC000914015451 641544730 /nfs/dbraw/zinc/54/47/30/641544730.db2.gz KDPZCFBNXJJLTK-UHFFFAOYSA-N -1 3 222.170 0.917 20 0 BCADHM Cc1nc(C)c(CC(=O)OCCCC#N)c(=O)[n-]1 ZINC000046415213 641624522 /nfs/dbraw/zinc/62/45/22/641624522.db2.gz IEVODFIKQWQIHN-UHFFFAOYSA-N -1 3 249.270 0.776 20 0 BCADHM C[C@@H](c1nc(-c2cc(=O)[n-]cn2)no1)N(C)C ZINC000351363548 641772070 /nfs/dbraw/zinc/77/20/70/641772070.db2.gz CDSHAEJXSZFHFZ-LURJTMIESA-N -1 3 235.247 0.855 20 0 BCADHM COCCCCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189239420 641794817 /nfs/dbraw/zinc/79/48/17/641794817.db2.gz VDQKKCZHFDIQLH-SNVBAGLBSA-N -1 3 231.292 0.887 20 0 BCADHM Cc1nnc(Sc2c(C)[nH][n-]c2=O)s1 ZINC000915920992 641885787 /nfs/dbraw/zinc/88/57/87/641885787.db2.gz HCECVVOJEVCDGC-RXMQYKEDSA-N -1 3 228.302 0.813 20 0 BCADHM CCO[N-]C(=O)CCCc1nc(C)no1 ZINC000078752920 641950553 /nfs/dbraw/zinc/95/05/53/641950553.db2.gz DSJTZCPGISQLOR-UHFFFAOYSA-N -1 3 213.237 0.768 20 0 BCADHM COC(=O)c1cnc(SCCOC(C)=O)[n-]1 ZINC000917497389 642071340 /nfs/dbraw/zinc/07/13/40/642071340.db2.gz UKPMCYWWWFGNEQ-UHFFFAOYSA-N -1 3 244.272 0.852 20 0 BCADHM Cc1c[nH]nc1CSCCc1nn[n-]n1 ZINC000917858744 642137216 /nfs/dbraw/zinc/13/72/16/642137216.db2.gz KPNNQAQWZQOXAX-UHFFFAOYSA-N -1 3 224.293 0.707 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]Cc1cnoc1 ZINC000918606753 642233341 /nfs/dbraw/zinc/23/33/41/642233341.db2.gz HIFHMMORZGNHMO-UHFFFAOYSA-N -1 3 243.244 0.450 20 0 BCADHM CC[C@@H](O)C[N-]C(=O)C(F)(F)C(F)F ZINC000233894054 642707794 /nfs/dbraw/zinc/70/77/94/642707794.db2.gz FVMZZHFYBYXMMQ-SCSAIBSYSA-N -1 3 217.162 0.774 20 0 BCADHM CO[N-]C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000067904872 642717505 /nfs/dbraw/zinc/71/75/05/642717505.db2.gz GBCAIQJZZMVVEE-UHFFFAOYSA-N -1 3 240.215 0.824 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1cc(F)cc(F)c1 ZINC000180619293 642804499 /nfs/dbraw/zinc/80/44/99/642804499.db2.gz RFTWTZDIBQQURH-UHFFFAOYSA-N -1 3 245.185 0.503 20 0 BCADHM C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000921497050 642859342 /nfs/dbraw/zinc/85/93/42/642859342.db2.gz GDNZXDGZTSYFGL-SFYZADRCSA-N -1 3 231.273 0.593 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2COC[C@H]2C)o1 ZINC000921497685 642875024 /nfs/dbraw/zinc/87/50/24/642875024.db2.gz RUHROUHYUYUVMB-VXNVDRBHSA-N -1 3 245.300 0.901 20 0 BCADHM CCS(=O)(=O)CCN1CCC[C@@]1(C)C(=O)[O-] ZINC000070618044 643053169 /nfs/dbraw/zinc/05/31/69/643053169.db2.gz YREZIKFHALJIEV-JTQLQIEISA-N -1 3 249.332 0.360 20 0 BCADHM CCOCCO[N-]C(=O)CCc1cnn(C)c1 ZINC000184811408 643240939 /nfs/dbraw/zinc/24/09/39/643240939.db2.gz QICVWAFSLDDKAI-UHFFFAOYSA-N -1 3 241.291 0.437 20 0 BCADHM C[C@@H](OCC1CC1)C(=O)NN=c1cccn[n-]1 ZINC000077031735 643264352 /nfs/dbraw/zinc/26/43/52/643264352.db2.gz NYQGPZJZIDPYQV-MRVPVSSYSA-N -1 3 236.275 0.735 20 0 BCADHM CCCO[N-]C(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000844087514 643383457 /nfs/dbraw/zinc/38/34/57/643383457.db2.gz VNTDGLSHRYYQTA-JGVFFNPUSA-N -1 3 237.321 0.513 20 0 BCADHM CCCO[N-]C(=O)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000844087515 643384446 /nfs/dbraw/zinc/38/44/46/643384446.db2.gz VNTDGLSHRYYQTA-SFYZADRCSA-N -1 3 237.321 0.513 20 0 BCADHM CSc1nc(NC(=O)C2=COCC2)n[n-]1 ZINC000734124622 643489495 /nfs/dbraw/zinc/48/94/95/643489495.db2.gz MGELHDJFTCNFQC-UHFFFAOYSA-N -1 3 226.261 0.769 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CNCc2ccccc21 ZINC000083643667 643602370 /nfs/dbraw/zinc/60/23/70/643602370.db2.gz NDMGERNCPFBCOD-LLVKDONJSA-N -1 3 220.272 0.941 20 0 BCADHM CO[N-]C(=O)[C@H]1CNCc2ccccc21 ZINC000083643665 643603861 /nfs/dbraw/zinc/60/38/61/643603861.db2.gz UPMXBSGDVMVBDW-JTQLQIEISA-N -1 3 206.245 0.551 20 0 BCADHM CC(=O)[N-]OCc1nc(-c2ccoc2)no1 ZINC000084489722 643664098 /nfs/dbraw/zinc/66/40/98/643664098.db2.gz FCLRVICBHXSPFF-UHFFFAOYSA-N -1 3 223.188 0.897 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](CO)C2)o1 ZINC000922063903 643857772 /nfs/dbraw/zinc/85/77/72/643857772.db2.gz GGMTUKHNPSVPKG-KYZUINATSA-N -1 3 245.300 0.637 20 0 BCADHM CO[N-]C(=O)CNCc1ccnn1C(C)C ZINC000922828430 644103778 /nfs/dbraw/zinc/10/37/78/644103778.db2.gz VSQYROODPKRWBL-UHFFFAOYSA-N -1 3 226.280 0.231 20 0 BCADHM CO[N-]C(=O)CNCc1ccc(C)cc1OC ZINC000922828626 644104291 /nfs/dbraw/zinc/10/42/91/644104291.db2.gz YYGSNGNSMJFBBA-UHFFFAOYSA-N -1 3 238.287 0.771 20 0 BCADHM CO[N-]C(=O)CNCc1c(C)cccc1OC ZINC000922828106 644104314 /nfs/dbraw/zinc/10/43/14/644104314.db2.gz QXCNRHYXFHGDOS-UHFFFAOYSA-N -1 3 238.287 0.771 20 0 BCADHM CO[N-]C(=O)CNCc1ccc(C)cc1F ZINC000922828742 644104358 /nfs/dbraw/zinc/10/43/58/644104358.db2.gz XVFUDGQVVZPPAH-UHFFFAOYSA-N -1 3 226.251 0.901 20 0 BCADHM CO[N-]C(=O)CNCc1cc(F)ccc1OC ZINC000922828570 644104547 /nfs/dbraw/zinc/10/45/47/644104547.db2.gz XDXWJZFATTXWNC-UHFFFAOYSA-N -1 3 242.250 0.602 20 0 BCADHM CO[N-]C(=O)CNCc1cccc(F)c1N ZINC000922828386 644104840 /nfs/dbraw/zinc/10/48/40/644104840.db2.gz ULIIRTBTLOWERJ-UHFFFAOYSA-N -1 3 227.239 0.175 20 0 BCADHM CCn1nc(C)c(CNCC(=O)[N-]OC)c1C ZINC000922829888 644114810 /nfs/dbraw/zinc/11/48/10/644114810.db2.gz HINNFFILFWZYRZ-UHFFFAOYSA-N -1 3 240.307 0.287 20 0 BCADHM CC(=O)[N-]OCC(=O)N(C)[C@H](C)CC(C)C ZINC000084489681 644426339 /nfs/dbraw/zinc/42/63/39/644426339.db2.gz NAABTCRQNBZQSA-SECBINFHSA-N -1 3 230.308 0.947 20 0 BCADHM Cc1cc[nH]c(=N[N-]C(=O)c2ncccn2)c1 ZINC000088423447 644520482 /nfs/dbraw/zinc/52/04/82/644520482.db2.gz MNSXEBPJBVRVIU-UHFFFAOYSA-N -1 3 229.243 0.937 20 0 BCADHM COC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000107245223 644537928 /nfs/dbraw/zinc/53/79/28/644537928.db2.gz FDKUFHXDFYIMDY-UHFFFAOYSA-N -1 3 209.205 0.573 20 0 BCADHM CCCCCCC(=O)[N-]OCC(N)=O ZINC000089508886 644556419 /nfs/dbraw/zinc/55/64/19/644556419.db2.gz XXDJQFLQQBWFTD-UHFFFAOYSA-N -1 3 202.254 0.490 20 0 BCADHM CC[C@@H](CO)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000779804276 644717674 /nfs/dbraw/zinc/71/76/74/644717674.db2.gz ULWGNYCEVZUPFS-LURJTMIESA-N -1 3 241.247 0.153 20 0 BCADHM Cn1ncc(C(=O)[N-]c2nc3ccccn3n2)n1 ZINC000790920857 644789632 /nfs/dbraw/zinc/78/96/32/644789632.db2.gz LUPJKHOHHJNVLG-UHFFFAOYSA-N -1 3 243.230 0.110 20 0 BCADHM C[C@@H](O)COC(=O)c1cccc2nn[n-]c21 ZINC000792158763 644791968 /nfs/dbraw/zinc/79/19/68/644791968.db2.gz CEFCUNPABBKZHF-ZCFIWIBFSA-N -1 3 221.216 0.496 20 0 BCADHM C[C@@H](O)COC(=O)c1cccc2[n-]nnc21 ZINC000792158763 644791975 /nfs/dbraw/zinc/79/19/75/644791975.db2.gz CEFCUNPABBKZHF-ZCFIWIBFSA-N -1 3 221.216 0.496 20 0 BCADHM C[C@@H](O)COC(=O)c1cccc2n[n-]nc21 ZINC000792158763 644791979 /nfs/dbraw/zinc/79/19/79/644791979.db2.gz CEFCUNPABBKZHF-ZCFIWIBFSA-N -1 3 221.216 0.496 20 0 BCADHM Cc1nc(N2CCC[C@@H]2CCO)cc(=O)[n-]1 ZINC000304602429 644919501 /nfs/dbraw/zinc/91/95/01/644919501.db2.gz UJPPJLPBDXZBNY-SECBINFHSA-N -1 3 223.276 0.842 20 0 BCADHM NC(=O)[C@@H](c1ccccc1)N1CC[C@@H](C(=O)[O-])C1 ZINC000819111486 645005273 /nfs/dbraw/zinc/00/52/73/645005273.db2.gz WEJAJZOTDNMHIP-GHMZBOCLSA-N -1 3 248.282 0.620 20 0 BCADHM CC[C@H](O)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000857493661 645576892 /nfs/dbraw/zinc/57/68/92/645576892.db2.gz HUYIBIMSPJKOFK-BDAKNGLRSA-N -1 3 217.265 0.232 20 0 BCADHM O=C(C[C@@H]1CCC(=O)NC1)[N-]OCC1CC1 ZINC000857511906 645582797 /nfs/dbraw/zinc/58/27/97/645582797.db2.gz CKQTXWGZHFHCNI-VIFPVBQESA-N -1 3 226.276 0.361 20 0 BCADHM Cc1nn(C)cc1CC(=O)[N-]OC1CCC1 ZINC000857523018 645592006 /nfs/dbraw/zinc/59/20/06/645592006.db2.gz VLMVTGCBEGZDDW-UHFFFAOYSA-N -1 3 223.276 0.871 20 0 BCADHM CC(C)O[N-]C(=O)CCc1ccnn1C ZINC000857523147 645593133 /nfs/dbraw/zinc/59/31/33/645593133.db2.gz YVEFKXYRTVAMAR-UHFFFAOYSA-N -1 3 211.265 0.809 20 0 BCADHM CC(C)O[N-]C(=O)[C@H]1CCc2nncn2C1 ZINC000857523117 645594158 /nfs/dbraw/zinc/59/41/58/645594158.db2.gz XLGGOXJTFMIVBP-QMMMGPOBSA-N -1 3 224.264 0.297 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)C12CC(C1)C2 ZINC000861249221 645691601 /nfs/dbraw/zinc/69/16/01/645691601.db2.gz XHUUZIDMEOFXKQ-SILCLGDVSA-N -1 3 211.261 0.871 20 0 BCADHM CO[C@@H]1C[C@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000924108106 645981122 /nfs/dbraw/zinc/98/11/22/645981122.db2.gz HTDATHAKYXMJFX-IYSWYEEDSA-N -1 3 234.215 0.735 20 0 BCADHM CO[N-]C(=O)[C@H]1C[C@@]12c1ccccc1NC2=O ZINC000929851973 646361631 /nfs/dbraw/zinc/36/16/31/646361631.db2.gz LLOLLCINONSGSQ-PRHODGIISA-N -1 3 232.239 0.574 20 0 BCADHM COCC(COC)Nc1cc(=O)[n-]c(C)n1 ZINC000388414584 711876665 /nfs/dbraw/zinc/87/66/65/711876665.db2.gz AJGPWAZAGGEDQF-UHFFFAOYSA-N -1 3 227.264 0.564 20 0 BCADHM Cc1nc(NC[C@]2(O)CCSC2)cc(=O)[n-]1 ZINC000705251250 712125906 /nfs/dbraw/zinc/12/59/06/712125906.db2.gz ALDHJHJPYKOENE-SNVBAGLBSA-N -1 3 241.316 0.771 20 0 BCADHM CCN1CC[C@H]1C[N-]C(=O)C(F)(F)F ZINC000710183682 712247595 /nfs/dbraw/zinc/24/75/95/712247595.db2.gz HKTBFANHOOOTNN-LURJTMIESA-N -1 3 210.199 0.759 20 0 BCADHM CN(C)CCONC(=O)c1c([O-])cccc1F ZINC000379041312 712368462 /nfs/dbraw/zinc/36/84/62/712368462.db2.gz CLNQGVGECBRABQ-UHFFFAOYSA-N -1 3 242.250 0.754 20 0 BCADHM COCCO[N-]C(=O)CCCSC ZINC000379396037 712381945 /nfs/dbraw/zinc/38/19/45/712381945.db2.gz CGVAPHTXPWWARI-UHFFFAOYSA-N -1 3 207.295 0.824 20 0 BCADHM CO[C@H](C)CC(=O)[N-]OCCSC ZINC000379398426 712382667 /nfs/dbraw/zinc/38/26/67/712382667.db2.gz FQPIGFXGHKROMR-SSDOTTSWSA-N -1 3 207.295 0.822 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2C[C@H](C)CO2)[n-]1 ZINC000718481659 712765281 /nfs/dbraw/zinc/76/52/81/712765281.db2.gz RGIDCFKHWHMXOM-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2C[C@H](C)CO2)n[n-]1 ZINC000718481659 712765283 /nfs/dbraw/zinc/76/52/83/712765283.db2.gz RGIDCFKHWHMXOM-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2C[C@H](C)CO2)n1 ZINC000718481659 712765285 /nfs/dbraw/zinc/76/52/85/712765285.db2.gz RGIDCFKHWHMXOM-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM CC[C@H](C(=O)N(CC(=O)[O-])CC1CC1)N(C)C ZINC000902008128 710876712 /nfs/dbraw/zinc/87/67/12/710876712.db2.gz TTWKSWLPSAIJRG-SNVBAGLBSA-N -1 3 242.319 0.650 20 0 BCADHM Cc1nc(N(C)C[C@H]2CCOC2)cc(=O)[n-]1 ZINC000398887483 710911316 /nfs/dbraw/zinc/91/13/16/710911316.db2.gz KXPFFSJUSAEEDG-SECBINFHSA-N -1 3 223.276 0.963 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[n-]1 ZINC000385474793 711012463 /nfs/dbraw/zinc/01/24/63/711012463.db2.gz ALJUSQRSAWGUAF-ZMONIFLSSA-N -1 3 238.247 0.034 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)n[n-]1 ZINC000385474793 711012469 /nfs/dbraw/zinc/01/24/69/711012469.db2.gz ALJUSQRSAWGUAF-ZMONIFLSSA-N -1 3 238.247 0.034 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC000385474793 711012472 /nfs/dbraw/zinc/01/24/72/711012472.db2.gz ALJUSQRSAWGUAF-ZMONIFLSSA-N -1 3 238.247 0.034 20 0 BCADHM C[C@@H](Nc1cc(=O)[n-]cn1)c1ncn(C)n1 ZINC000392040107 711143054 /nfs/dbraw/zinc/14/30/54/711143054.db2.gz LDPZXAICSDPZMY-ZCFIWIBFSA-N -1 3 220.236 0.484 20 0 BCADHM CC(C)[C@@H](CO)CNc1cc(=O)[n-]cn1 ZINC000394025965 711181669 /nfs/dbraw/zinc/18/16/69/711181669.db2.gz UFJOQCYUEGMHRT-MRVPVSSYSA-N -1 3 211.265 0.859 20 0 BCADHM O=c1cc(N[C@H]2CCNC(=O)CC2)nc[n-]1 ZINC000396617059 711360550 /nfs/dbraw/zinc/36/05/50/711360550.db2.gz BODSBDXVKRBLQJ-SSDOTTSWSA-N -1 3 222.248 0.263 20 0 BCADHM CC(C)S(=O)(=O)CCNc1cc(=O)[n-]cn1 ZINC000381108314 710601945 /nfs/dbraw/zinc/60/19/45/710601945.db2.gz ZHIKNMCWGKYDDT-UHFFFAOYSA-N -1 3 245.304 0.417 20 0 BCADHM O=C(N[C@@H]1CC12CC(O)C2)c1ccc(O)cc1[O-] ZINC000724962949 710751403 /nfs/dbraw/zinc/75/14/03/710751403.db2.gz NYWFCFKTZULZRO-UHLWVNKISA-N -1 3 249.266 0.741 20 0 BCADHM O=c1cc(NCC2=CCOCC2)nc[n-]1 ZINC000397725316 711390228 /nfs/dbraw/zinc/39/02/28/711390228.db2.gz MTEUJGDYSFRESH-UHFFFAOYSA-N -1 3 207.233 0.941 20 0 BCADHM CC[C@H](NC(=O)c1cn[n-]n1)[C@H]1CCCOC1 ZINC000723872616 711540662 /nfs/dbraw/zinc/54/06/62/711540662.db2.gz ZJLVJSLRIFHOGD-IUCAKERBSA-N -1 3 238.291 0.740 20 0 BCADHM O=c1cc(NC[C@H]2C[C@@H]3COC[C@@H]3O2)nc[n-]1 ZINC000724624299 711601029 /nfs/dbraw/zinc/60/10/29/711601029.db2.gz WENLYUZOQFWPBT-HLTSFMKQSA-N -1 3 237.259 0.398 20 0 BCADHM O=c1cc(N[C@H]2CC23CC(O)C3)nc[n-]1 ZINC000724963147 711638207 /nfs/dbraw/zinc/63/82/07/711638207.db2.gz RSQYEMLQWFRVQR-DSQUFTABSA-N -1 3 207.233 0.508 20 0 BCADHM Cc1nc(N[C@H]2CC23CC(O)C3)cc(=O)[n-]1 ZINC000724969502 711638820 /nfs/dbraw/zinc/63/88/20/711638820.db2.gz AOUBHGXIIDWWPY-KAIZJQOQSA-N -1 3 221.260 0.816 20 0 BCADHM Cc1nc(N2CCN3C(=O)CC[C@H]3C2)cc(=O)[n-]1 ZINC000162893228 711680812 /nfs/dbraw/zinc/68/08/12/711680812.db2.gz WIBZDUGXHBDTMY-VIFPVBQESA-N -1 3 248.286 0.302 20 0 BCADHM CCOCCOCCN(C)c1cc(=O)[n-]cn1 ZINC000893419374 711720692 /nfs/dbraw/zinc/72/06/92/711720692.db2.gz SDQIUJBUJXKPJJ-UHFFFAOYSA-N -1 3 241.291 0.672 20 0 BCADHM Cc1nc(N(C)C[C@@H]2CCOC2)cc(=O)[n-]1 ZINC000398887487 711740397 /nfs/dbraw/zinc/74/03/97/711740397.db2.gz KXPFFSJUSAEEDG-VIFPVBQESA-N -1 3 223.276 0.963 20 0 BCADHM C[C@@H](O)[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451759313 711952537 /nfs/dbraw/zinc/95/25/37/711952537.db2.gz ROSCZPOTOUNMRD-JGVFFNPUSA-N -1 3 241.262 0.959 20 0 BCADHM O=c1cc(NCCC2CC(O)C2)nc[n-]1 ZINC000702536882 712054994 /nfs/dbraw/zinc/05/49/94/712054994.db2.gz JRDOZYUBQXCIMC-UHFFFAOYSA-N -1 3 209.249 0.755 20 0 BCADHM CC[C@H](C)C[C@H](N)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000703174215 712067830 /nfs/dbraw/zinc/06/78/30/712067830.db2.gz OXRHBASDHOKKRK-XKNYDFJKSA-N -1 3 242.319 0.729 20 0 BCADHM Cc1nc(NC[C@@H]2COCCN2C)cc(=O)[n-]1 ZINC000704051007 712098951 /nfs/dbraw/zinc/09/89/51/712098951.db2.gz ZAKRBZURLAWYFD-SECBINFHSA-N -1 3 238.291 0.233 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCC[S@@](C)=O ZINC000706642235 712150682 /nfs/dbraw/zinc/15/06/82/712150682.db2.gz QANJGDKBUCUSQS-MRXNPFEDSA-N -1 3 241.312 0.809 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCCNC(N)=O ZINC000706622381 712151279 /nfs/dbraw/zinc/15/12/79/712151279.db2.gz LKBQRHRRZXHUFF-UHFFFAOYSA-N -1 3 237.259 0.099 20 0 BCADHM CN(C[C@H]1CCC[C@H]1O)c1cc(=O)[n-]cn1 ZINC000708354148 712190429 /nfs/dbraw/zinc/19/04/29/712190429.db2.gz IYLMWDFWWXITMM-RKDXNWHRSA-N -1 3 223.276 0.779 20 0 BCADHM CC(C)N1CC[C@@H](Nc2cc(=O)[n-]cn2)C1=O ZINC000708973837 712204227 /nfs/dbraw/zinc/20/42/27/712204227.db2.gz BRPGWYXKZSRMMY-MRVPVSSYSA-N -1 3 236.275 0.603 20 0 BCADHM NC(=O)CO[N-]C(=O)C12CCC(CC1)C2 ZINC000711093941 712280126 /nfs/dbraw/zinc/28/01/26/712280126.db2.gz AZSQDJZFRZQVCL-UHFFFAOYSA-N -1 3 212.249 0.100 20 0 BCADHM CN1CC[C@H]1CNC(=O)c1cncc([O-])c1 ZINC000712305023 712396216 /nfs/dbraw/zinc/39/62/16/712396216.db2.gz XZRRIYUZZYTRFW-VIFPVBQESA-N -1 3 221.260 0.221 20 0 BCADHM CC(C)(O)CC(=O)[N-]OC1CCOCC1 ZINC000792333596 712423339 /nfs/dbraw/zinc/42/33/39/712423339.db2.gz VDECDVJGPJHFRT-UHFFFAOYSA-N -1 3 217.265 0.374 20 0 BCADHM CCC[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000712752743 712449346 /nfs/dbraw/zinc/44/93/46/712449346.db2.gz LGRYUULEXWCMLP-UHFFFAOYSA-N -1 3 215.278 0.473 20 0 BCADHM CS(=O)(=O)[C@H]1C[C@H](Nc2cc(=O)[n-]cn2)C1 ZINC000714252726 712481184 /nfs/dbraw/zinc/48/11/84/712481184.db2.gz FMSHNMFLNAFRDS-LJGSYFOKSA-N -1 3 243.288 0.170 20 0 BCADHM NC(=O)CC1CC(NC(=O)c2ccccc2[O-])C1 ZINC000718548142 712769383 /nfs/dbraw/zinc/76/93/83/712769383.db2.gz DKRLTROWCLIVOJ-UHFFFAOYSA-N -1 3 248.282 0.776 20 0 BCADHM O=c1cc(N2CC[C@@H](C3OCCO3)C2)nc[n-]1 ZINC000719018376 712793488 /nfs/dbraw/zinc/79/34/88/712793488.db2.gz CFVANWJLLPLAEN-MRVPVSSYSA-N -1 3 237.259 0.381 20 0 BCADHM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C ZINC000719336713 712804774 /nfs/dbraw/zinc/80/47/74/712804774.db2.gz KIACEXSBNSJGDV-RKDXNWHRSA-N -1 3 235.287 0.610 20 0 BCADHM O=C(NC[C@H]1C[C@H](O)C1)c1ccc(O)cc1[O-] ZINC000720962090 712883886 /nfs/dbraw/zinc/88/38/86/712883886.db2.gz ORAGLOQOWKEWNE-XWEPSHTISA-N -1 3 237.255 0.599 20 0 BCADHM CCC1(C(=O)Nc2nnc(OC)[n-]2)CC1 ZINC000272439570 398147393 /nfs/dbraw/zinc/14/73/93/398147393.db2.gz IKLRKENRVOEMAY-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM CCC1(C(=O)Nc2n[n-]c(OC)n2)CC1 ZINC000272439570 398147395 /nfs/dbraw/zinc/14/73/95/398147395.db2.gz IKLRKENRVOEMAY-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM CCC1(C(=O)Nc2nc(OC)n[n-]2)CC1 ZINC000272439570 398147396 /nfs/dbraw/zinc/14/73/96/398147396.db2.gz IKLRKENRVOEMAY-UHFFFAOYSA-N -1 3 210.237 0.942 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)C12CC(C1)C2 ZINC000602329166 349507949 /nfs/dbraw/zinc/50/79/49/349507949.db2.gz LLZREUGEAMFEHG-UHFFFAOYSA-N -1 3 235.243 0.935 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)C12CC(C1)C2 ZINC000602329166 349507950 /nfs/dbraw/zinc/50/79/50/349507950.db2.gz LLZREUGEAMFEHG-UHFFFAOYSA-N -1 3 235.243 0.935 20 0 BCADHM COCCOCCc1nc2cccnc2c(=O)[n-]1 ZINC000491597995 538921295 /nfs/dbraw/zinc/92/12/95/538921295.db2.gz BHENTAAUIAUPML-UHFFFAOYSA-N -1 3 249.270 0.936 20 0 BCADHM O=S(=O)([N-]C1(CO)CC1)c1cccs1 ZINC000162428361 538922719 /nfs/dbraw/zinc/92/27/19/538922719.db2.gz CSABJCRWYFCZMB-UHFFFAOYSA-N -1 3 233.314 0.551 20 0 BCADHM CC1(C)OCC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000649403112 398205247 /nfs/dbraw/zinc/20/52/47/398205247.db2.gz BUIVWNGLVADPDF-QMMMGPOBSA-N -1 3 233.275 0.706 20 0 BCADHM Cc1cc([N-]C(=O)Cn2ccnn2)on1 ZINC000267376362 178136150 /nfs/dbraw/zinc/13/61/50/178136150.db2.gz RGPXIGNXQLLYLC-UHFFFAOYSA-N -1 3 207.193 0.213 20 0 BCADHM CN1CCC(Nc2ncncc2C(=O)[O-])CC1 ZINC000258854928 349519179 /nfs/dbraw/zinc/51/91/79/349519179.db2.gz QFSBDMYGNKIFLA-UHFFFAOYSA-N -1 3 236.275 0.681 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](O)C2)n1 ZINC000192573329 178202826 /nfs/dbraw/zinc/20/28/26/178202826.db2.gz PRQNHDYHIULWHL-IUCAKERBSA-N -1 3 223.276 0.618 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H]3[C@H](CO)[C@H]3C2)n1 ZINC000366395027 178202909 /nfs/dbraw/zinc/20/29/09/178202909.db2.gz FZLFYCIRCGLRTL-UKKRHICBSA-N -1 3 249.314 0.722 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCOCC2)n1 ZINC000177912245 178203659 /nfs/dbraw/zinc/20/36/59/178203659.db2.gz GUDOWTPHVRLEQA-SECBINFHSA-N -1 3 223.276 0.884 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)C[C@@H](C)O)n1 ZINC000192602011 178204098 /nfs/dbraw/zinc/20/40/98/178204098.db2.gz MLFCMTDKFAJUOC-RKDXNWHRSA-N -1 3 225.292 0.864 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC2(CC(F)C2)C1 ZINC000626251365 349521797 /nfs/dbraw/zinc/52/17/97/349521797.db2.gz ZLRZKYFAEKWRHP-UHFFFAOYSA-N -1 3 237.234 0.756 20 0 BCADHM C[C@H](CCO)NC(=O)c1cccc2nn[n-]c21 ZINC000164963855 538934535 /nfs/dbraw/zinc/93/45/35/538934535.db2.gz DWNQGHSXRGADAL-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM C[C@H](CCO)NC(=O)c1cccc2[n-]nnc21 ZINC000164963855 538934537 /nfs/dbraw/zinc/93/45/37/538934537.db2.gz DWNQGHSXRGADAL-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM C[C@H](CCO)NC(=O)c1cccc2n[n-]nc21 ZINC000164963855 538934538 /nfs/dbraw/zinc/93/45/38/538934538.db2.gz DWNQGHSXRGADAL-SSDOTTSWSA-N -1 3 234.259 0.459 20 0 BCADHM C/C=C\C[N-]S(=O)(=O)c1cscn1 ZINC000625556139 343989862 /nfs/dbraw/zinc/98/98/62/343989862.db2.gz DNXPMPSBIQOXEC-IHWYPQMZSA-N -1 3 218.303 0.998 20 0 BCADHM C/C=C/C[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000625556720 343990549 /nfs/dbraw/zinc/99/05/49/343990549.db2.gz BSXMMCULAAEYFO-HWKANZROSA-N -1 3 229.305 0.757 20 0 BCADHM C/C=C/C[N-]S(=O)(=O)c1cscn1 ZINC000625556140 343989947 /nfs/dbraw/zinc/98/99/47/343989947.db2.gz DNXPMPSBIQOXEC-NSCUHMNNSA-N -1 3 218.303 0.998 20 0 BCADHM Cc1nccn1CCCOC([O-])=NC(N)=O ZINC000180012442 259306342 /nfs/dbraw/zinc/30/63/42/259306342.db2.gz MTJIKNREWJNQAT-UHFFFAOYSA-N -1 3 226.236 0.387 20 0 BCADHM Cc1nccn1CCCOC(=O)N=C(N)[O-] ZINC000180012442 259306345 /nfs/dbraw/zinc/30/63/45/259306345.db2.gz MTJIKNREWJNQAT-UHFFFAOYSA-N -1 3 226.236 0.387 20 0 BCADHM Cc1nccn1CCCOC(=O)[N-]C(N)=O ZINC000180012442 259306347 /nfs/dbraw/zinc/30/63/47/259306347.db2.gz MTJIKNREWJNQAT-UHFFFAOYSA-N -1 3 226.236 0.387 20 0 BCADHM O=c1cc(-c2noc(C[C@@H]3CCOC3)n2)nc[n-]1 ZINC000351362199 398240737 /nfs/dbraw/zinc/24/07/37/398240737.db2.gz APWNGLGQWPNPRN-ZETCQYMHSA-N -1 3 248.242 0.811 20 0 BCADHM O=C([O-])[C@H]1CSCCN1CCn1ccnc1 ZINC000126711139 323004214 /nfs/dbraw/zinc/00/42/14/323004214.db2.gz JJXAFCBPUXTNBV-SECBINFHSA-N -1 3 241.316 0.385 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@H](C)N(C)C ZINC000649461981 398263324 /nfs/dbraw/zinc/26/33/24/398263324.db2.gz VTOPZFHOHHDTPN-IUCAKERBSA-N -1 3 230.308 0.410 20 0 BCADHM CC[C@](C)(CO)NC(=O)c1cccc2nn[n-]c21 ZINC000188644338 346827725 /nfs/dbraw/zinc/82/77/25/346827725.db2.gz DBUJKEVVUSIOQP-GFCCVEGCSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@](C)(CO)NC(=O)c1cccc2[n-]nnc21 ZINC000188644338 346827728 /nfs/dbraw/zinc/82/77/28/346827728.db2.gz DBUJKEVVUSIOQP-GFCCVEGCSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@](C)(CO)NC(=O)c1cccc2n[n-]nc21 ZINC000188644338 346827733 /nfs/dbraw/zinc/82/77/33/346827733.db2.gz DBUJKEVVUSIOQP-GFCCVEGCSA-N -1 3 248.286 0.849 20 0 BCADHM COc1nnc(NC(=O)c2cc(OC)ccn2)[n-]1 ZINC000179365168 538954746 /nfs/dbraw/zinc/95/47/46/538954746.db2.gz LESBPYUECCTXKR-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1nc(NC(=O)c2cc(OC)ccn2)n[n-]1 ZINC000179365168 538954747 /nfs/dbraw/zinc/95/47/47/538954747.db2.gz LESBPYUECCTXKR-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(OC)ccn2)n1 ZINC000179365168 538954748 /nfs/dbraw/zinc/95/47/48/538954748.db2.gz LESBPYUECCTXKR-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM C[C@@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335143431 136233508 /nfs/dbraw/zinc/23/35/08/136233508.db2.gz PAVCDLHSFDBMCM-BDAKNGLRSA-N -1 3 224.308 0.729 20 0 BCADHM C[C@H]1CC[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335143435 136233640 /nfs/dbraw/zinc/23/36/40/136233640.db2.gz PAVCDLHSFDBMCM-IUCAKERBSA-N -1 3 224.308 0.729 20 0 BCADHM O=C(NC1CCC(CO)CC1)c1c[n-]nn1 ZINC000181101910 538960099 /nfs/dbraw/zinc/96/00/99/538960099.db2.gz MGWFPAUQXXHIBQ-UHFFFAOYSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC1CCC(CO)CC1)c1cnn[n-]1 ZINC000181101910 538960101 /nfs/dbraw/zinc/96/01/01/538960101.db2.gz MGWFPAUQXXHIBQ-UHFFFAOYSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC1CCC(CO)CC1)c1cn[n-]n1 ZINC000181101910 538960103 /nfs/dbraw/zinc/96/01/03/538960103.db2.gz MGWFPAUQXXHIBQ-UHFFFAOYSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NCc1ccc(Cl)cn1)c1c[n-]nn1 ZINC000182141188 538962440 /nfs/dbraw/zinc/96/24/40/538962440.db2.gz ABGHJYLTURTTHF-UHFFFAOYSA-N -1 3 237.650 0.783 20 0 BCADHM O=C(NCc1ccc(Cl)cn1)c1cnn[n-]1 ZINC000182141188 538962441 /nfs/dbraw/zinc/96/24/41/538962441.db2.gz ABGHJYLTURTTHF-UHFFFAOYSA-N -1 3 237.650 0.783 20 0 BCADHM O=C(NCc1ccc(Cl)cn1)c1cn[n-]n1 ZINC000182141188 538962443 /nfs/dbraw/zinc/96/24/43/538962443.db2.gz ABGHJYLTURTTHF-UHFFFAOYSA-N -1 3 237.650 0.783 20 0 BCADHM CCOCc1nc2cccnc2c(=O)[n-]1 ZINC000039149325 538968955 /nfs/dbraw/zinc/96/89/55/538968955.db2.gz DOHDURCGUGMWGK-UHFFFAOYSA-N -1 3 205.217 0.855 20 0 BCADHM C[C@@H](O)C[N-]S(=O)(=O)c1cccs1 ZINC000032013850 342797159 /nfs/dbraw/zinc/79/71/59/342797159.db2.gz JJVGMWNZBIEYOF-ZCFIWIBFSA-N -1 3 221.303 0.407 20 0 BCADHM COCCCN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000624677300 342818153 /nfs/dbraw/zinc/81/81/53/342818153.db2.gz CPYGAZBWZUVEFA-UHFFFAOYSA-N -1 3 225.248 0.291 20 0 BCADHM CC(C)C(=O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000086277000 398291514 /nfs/dbraw/zinc/29/15/14/398291514.db2.gz CQLYMYMXSBGWRZ-UHFFFAOYSA-N -1 3 230.651 0.415 20 0 BCADHM COc1nnc(NC(=O)c2ccn(C)c2C)[n-]1 ZINC000192571443 538995768 /nfs/dbraw/zinc/99/57/68/538995768.db2.gz LCZIDLGHZMJRRP-UHFFFAOYSA-N -1 3 235.247 0.713 20 0 BCADHM COc1nc(NC(=O)c2ccn(C)c2C)n[n-]1 ZINC000192571443 538995770 /nfs/dbraw/zinc/99/57/70/538995770.db2.gz LCZIDLGHZMJRRP-UHFFFAOYSA-N -1 3 235.247 0.713 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccn(C)c2C)n1 ZINC000192571443 538995771 /nfs/dbraw/zinc/99/57/71/538995771.db2.gz LCZIDLGHZMJRRP-UHFFFAOYSA-N -1 3 235.247 0.713 20 0 BCADHM O=C([N-]c1cnoc1)c1cn(C2CC2)nn1 ZINC000624998975 342841824 /nfs/dbraw/zinc/84/18/24/342841824.db2.gz FKRHNJQHXKZVOZ-UHFFFAOYSA-N -1 3 219.204 0.853 20 0 BCADHM CCSCCn1cc(Cl)c(=O)[n-]c1=O ZINC000085253297 259325296 /nfs/dbraw/zinc/32/52/96/259325296.db2.gz UUCUKCWETWDOEI-UHFFFAOYSA-N -1 3 234.708 0.943 20 0 BCADHM CC[C@@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000233890751 342913380 /nfs/dbraw/zinc/91/33/80/342913380.db2.gz VXYJXKTVXMJXQQ-HLTSFMKQSA-N -1 3 228.292 0.435 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CCNC(=O)CC1 ZINC000625234134 342924845 /nfs/dbraw/zinc/92/48/45/342924845.db2.gz VNTUNQVEQFSSAD-UHFFFAOYSA-N -1 3 248.282 0.663 20 0 BCADHM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](N)CC ZINC000040486108 398330103 /nfs/dbraw/zinc/33/01/03/398330103.db2.gz YAVVJTOPYWDPKK-HTQZYQBOSA-N -1 3 216.281 0.435 20 0 BCADHM CN(C)CCn1[n-]c(C2CCC2)cc1=O ZINC000634589724 342936573 /nfs/dbraw/zinc/93/65/73/342936573.db2.gz GYONOWITOOXLHM-UHFFFAOYSA-N -1 3 209.293 0.936 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1cc[nH]c(=O)c1 ZINC000355196968 398331694 /nfs/dbraw/zinc/33/16/94/398331694.db2.gz FXVPTZCUWZBKSJ-ZCFIWIBFSA-N -1 3 233.231 0.396 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1cc[nH]c(=O)c1 ZINC000355196968 398331695 /nfs/dbraw/zinc/33/16/95/398331695.db2.gz FXVPTZCUWZBKSJ-ZCFIWIBFSA-N -1 3 233.231 0.396 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1cc[nH]c(=O)c1 ZINC000355196968 398331696 /nfs/dbraw/zinc/33/16/96/398331696.db2.gz FXVPTZCUWZBKSJ-ZCFIWIBFSA-N -1 3 233.231 0.396 20 0 BCADHM C[C@]1(CNC(=O)c2cc(=O)[n-]cn2)CCOC1 ZINC000625582840 344016215 /nfs/dbraw/zinc/01/62/15/344016215.db2.gz OCEOWPCNHUQLOH-LLVKDONJSA-N -1 3 237.259 0.339 20 0 BCADHM COc1cccc([N-]S(=O)(=O)N(C)C)c1O ZINC000351755760 136251929 /nfs/dbraw/zinc/25/19/29/136251929.db2.gz NOJODJFGUMRTGI-UHFFFAOYSA-N -1 3 246.288 0.619 20 0 BCADHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)[C@@H](O)C2)n1 ZINC000351818983 136255976 /nfs/dbraw/zinc/25/59/76/136255976.db2.gz JOVIIEGJZFXCRV-SCZZXKLOSA-N -1 3 237.303 0.557 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1c[n-]nn1 ZINC000562661887 323026471 /nfs/dbraw/zinc/02/64/71/323026471.db2.gz HLWXFVPVLHPXJX-GJMOJQLCSA-N -1 3 206.249 0.723 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cnn[n-]1 ZINC000562661887 323026472 /nfs/dbraw/zinc/02/64/72/323026472.db2.gz HLWXFVPVLHPXJX-GJMOJQLCSA-N -1 3 206.249 0.723 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cn[n-]n1 ZINC000562661887 323026473 /nfs/dbraw/zinc/02/64/73/323026473.db2.gz HLWXFVPVLHPXJX-GJMOJQLCSA-N -1 3 206.249 0.723 20 0 BCADHM Nc1nnc(SCc2n[n-]c(=O)s2)s1 ZINC000306240587 259337746 /nfs/dbraw/zinc/33/77/46/259337746.db2.gz KPAGCPUZPWWBKK-UHFFFAOYSA-N -1 3 247.330 0.557 20 0 BCADHM COc1ccncc1CN(C)[C@H](C)C(=O)[O-] ZINC000309171424 259342202 /nfs/dbraw/zinc/34/22/02/259342202.db2.gz ANRFAKXHZZEESD-MRVPVSSYSA-N -1 3 224.260 0.995 20 0 BCADHM COCC(COC)n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634635226 343047567 /nfs/dbraw/zinc/04/75/67/343047567.db2.gz ZTLUNJOHDQUCHL-GZMMTYOYSA-N -1 3 240.303 0.892 20 0 BCADHM CC(C)(C)C(=O)N[C@H]1CCCN(CC(=O)[O-])C1 ZINC000108155356 343075483 /nfs/dbraw/zinc/07/54/83/343075483.db2.gz WOABQCRXJXACFG-VIFPVBQESA-N -1 3 242.319 0.698 20 0 BCADHM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000625667894 344027884 /nfs/dbraw/zinc/02/78/84/344027884.db2.gz FZNHAGRIGCRLGZ-OCAPTIKFSA-N -1 3 245.304 0.113 20 0 BCADHM CC[C@@H]1COCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000625668030 344027927 /nfs/dbraw/zinc/02/79/27/344027927.db2.gz UMZYONAQMZOIHS-MRVPVSSYSA-N -1 3 237.259 0.433 20 0 BCADHM CCCN1CC[C@H](NC(=O)C(C)(C)C(=O)[O-])C1 ZINC000389281455 488207476 /nfs/dbraw/zinc/20/74/76/488207476.db2.gz IBMMYIUEEOYQPW-VIFPVBQESA-N -1 3 242.319 0.698 20 0 BCADHM O=C(Nc1nnn[n-]1)[C@H]1NCCc2ccccc21 ZINC000237948410 343220541 /nfs/dbraw/zinc/22/05/41/343220541.db2.gz GHCDPMYOWMSRHS-VIFPVBQESA-N -1 3 244.258 0.025 20 0 BCADHM O=C(Nc1nn[n-]n1)[C@H]1NCCc2ccccc21 ZINC000237948410 343220543 /nfs/dbraw/zinc/22/05/43/343220543.db2.gz GHCDPMYOWMSRHS-VIFPVBQESA-N -1 3 244.258 0.025 20 0 BCADHM COC[C@@H](C)C[N-]S(=O)(=O)c1ccccn1 ZINC000340083134 136285986 /nfs/dbraw/zinc/28/59/86/136285986.db2.gz PFVZWWQHDLSVMK-VIFPVBQESA-N -1 3 244.316 0.642 20 0 BCADHM COC(=O)CN(C)C(=O)c1ccc(O)cc1[O-] ZINC000035219519 343290242 /nfs/dbraw/zinc/29/02/42/343290242.db2.gz PRAQRGZJUUEMDE-UHFFFAOYSA-N -1 3 239.227 0.343 20 0 BCADHM CS(=O)(=O)[N-]c1cnn(C[C@@H]2CCCO2)c1 ZINC000070263290 343318318 /nfs/dbraw/zinc/31/83/18/343318318.db2.gz SZOWKIABNJOGGZ-VIFPVBQESA-N -1 3 245.304 0.434 20 0 BCADHM O=S(=O)([N-]CC1CC1)c1c[nH]cn1 ZINC000069947774 343294470 /nfs/dbraw/zinc/29/44/70/343294470.db2.gz CEVPUVXNILJVEQ-UHFFFAOYSA-N -1 3 201.251 0.098 20 0 BCADHM CC[C@H](O)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000492883177 529702714 /nfs/dbraw/zinc/70/27/14/529702714.db2.gz AMEYPXYFDXJLHB-FSIBCCDJSA-N -1 3 236.271 0.688 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)CC(C)C ZINC000070712719 343340038 /nfs/dbraw/zinc/34/00/38/343340038.db2.gz UICZFUQKWGNGAM-ZETCQYMHSA-N -1 3 223.294 0.123 20 0 BCADHM [O-]c1cccnc1CN1CCC(O)CC1 ZINC000584079896 343348774 /nfs/dbraw/zinc/34/87/74/343348774.db2.gz DINNAXNBPAPFKR-UHFFFAOYSA-N -1 3 208.261 0.744 20 0 BCADHM Cc1n[nH]cc1C[N-]S(=O)(=O)c1ccco1 ZINC000335676273 136318637 /nfs/dbraw/zinc/31/86/37/136318637.db2.gz JOOPSHJAMJXHJJ-UHFFFAOYSA-N -1 3 241.272 0.790 20 0 BCADHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000081108470 343416592 /nfs/dbraw/zinc/41/65/92/343416592.db2.gz FSHONXCSVOQVDE-QMMMGPOBSA-N -1 3 231.321 0.980 20 0 BCADHM CCS(=O)(=O)CC(=O)Nc1ccccc1[O-] ZINC000048911827 343589956 /nfs/dbraw/zinc/58/99/56/343589956.db2.gz FIVFFJLSRYXTEA-UHFFFAOYSA-N -1 3 243.284 0.765 20 0 BCADHM Cc1ccc(CNC(=O)c2c[n-]nn2)nc1C ZINC000313827048 259366249 /nfs/dbraw/zinc/36/62/49/259366249.db2.gz MNERGOZKXWBEEC-UHFFFAOYSA-N -1 3 231.259 0.747 20 0 BCADHM Cc1ccc(CNC(=O)c2cnn[n-]2)nc1C ZINC000313827048 259366251 /nfs/dbraw/zinc/36/62/51/259366251.db2.gz MNERGOZKXWBEEC-UHFFFAOYSA-N -1 3 231.259 0.747 20 0 BCADHM Cc1ccc(CNC(=O)c2cn[n-]n2)nc1C ZINC000313827048 259366252 /nfs/dbraw/zinc/36/62/52/259366252.db2.gz MNERGOZKXWBEEC-UHFFFAOYSA-N -1 3 231.259 0.747 20 0 BCADHM CN(Cc1c[nH]cn1)C(=O)c1cncc([O-])c1 ZINC000622746106 343606645 /nfs/dbraw/zinc/60/66/45/343606645.db2.gz IIIRTLWUDCQMBT-UHFFFAOYSA-N -1 3 232.243 0.783 20 0 BCADHM CN(Cc1cnc[nH]1)C(=O)c1cncc([O-])c1 ZINC000622746106 343606646 /nfs/dbraw/zinc/60/66/46/343606646.db2.gz IIIRTLWUDCQMBT-UHFFFAOYSA-N -1 3 232.243 0.783 20 0 BCADHM COCCN1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000634695252 343622648 /nfs/dbraw/zinc/62/26/48/343622648.db2.gz RCKLDYIUEUSGQU-WPRPVWTQSA-N -1 3 217.265 0.197 20 0 BCADHM O=C([O-])C12CCC(CC1)N2Cc1cc[nH]n1 ZINC000634696669 343633530 /nfs/dbraw/zinc/63/35/30/343633530.db2.gz HSQHMMWHXHCXKD-UHFFFAOYSA-N -1 3 221.260 0.991 20 0 BCADHM C[C@H](CO)N(C)C(=O)Cc1cncc([O-])c1 ZINC000584124193 343763173 /nfs/dbraw/zinc/76/31/73/343763173.db2.gz XDRZFZLXZXCDDC-MRVPVSSYSA-N -1 3 224.260 0.169 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CC(C)(F)F ZINC000584149657 343765563 /nfs/dbraw/zinc/76/55/63/343765563.db2.gz IXILIISDIJPJPN-ZETCQYMHSA-N -1 3 247.245 0.660 20 0 BCADHM CCN(C)S(=O)(=O)[N-]CC(F)(F)CC ZINC000625455765 343857801 /nfs/dbraw/zinc/85/78/01/343857801.db2.gz SMSPZZQNDZBEII-UHFFFAOYSA-N -1 3 230.280 0.818 20 0 BCADHM CCC(F)(F)C[N-]S(=O)(=O)N(C)C ZINC000625455751 343858045 /nfs/dbraw/zinc/85/80/45/343858045.db2.gz RXCYYYCZWAEWEX-UHFFFAOYSA-N -1 3 216.253 0.428 20 0 BCADHM CCCCS(=O)(=O)[N-][C@@H]1COCCC1=O ZINC000625490147 343886227 /nfs/dbraw/zinc/88/62/27/343886227.db2.gz JPPCRFVAGVAHGU-MRVPVSSYSA-N -1 3 235.305 0.064 20 0 BCADHM C[C@@]12COC[C@H]1CN(C(=O)c1cc(=O)[n-]cn1)C2 ZINC000628097092 343937598 /nfs/dbraw/zinc/93/75/98/343937598.db2.gz LWWCXVDYIWWZSX-PRHODGIISA-N -1 3 249.270 0.291 20 0 BCADHM C[C@]12COC[C@@H]1CN(C(=O)c1cc(=O)[n-]cn1)C2 ZINC000628097094 343937625 /nfs/dbraw/zinc/93/76/25/343937625.db2.gz LWWCXVDYIWWZSX-UFBFGSQYSA-N -1 3 249.270 0.291 20 0 BCADHM Cc1cc(CNC2(C(=O)[O-])CC2)n(C)n1 ZINC000091330978 343949183 /nfs/dbraw/zinc/94/91/83/343949183.db2.gz PRHIAEMBNXVYCZ-UHFFFAOYSA-N -1 3 209.249 0.435 20 0 BCADHM O=C(NC[C@@H]1CCCCO1)c1cc(=O)[n-]cn1 ZINC000624623849 344110311 /nfs/dbraw/zinc/11/03/11/344110311.db2.gz ZOZJDQNZXXFWNH-QMMMGPOBSA-N -1 3 237.259 0.481 20 0 BCADHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)[C@H]1CCOC1 ZINC000625813721 344081853 /nfs/dbraw/zinc/08/18/53/344081853.db2.gz BJEHGMWSKZJKQE-YUMQZZPRSA-N -1 3 237.259 0.337 20 0 BCADHM O=C(N[C@H]1CCN(C2CC2)C1)c1cc(=O)[n-]cn1 ZINC000624611727 344102466 /nfs/dbraw/zinc/10/24/66/344102466.db2.gz ZXIXWOKYQLCDOD-QMMMGPOBSA-N -1 3 248.286 0.149 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCCc1nnc[nH]1 ZINC000625850751 344119225 /nfs/dbraw/zinc/11/92/25/344119225.db2.gz LRSIQDXHKVTBNI-UHFFFAOYSA-N -1 3 246.270 0.791 20 0 BCADHM CC(C)C[C@H](NC(=O)[C@H]1CCCCN1)C(=O)[O-] ZINC000040471145 192069267 /nfs/dbraw/zinc/06/92/67/192069267.db2.gz OUXMHEQRQFTCER-ZJUUUORDSA-N -1 3 242.319 0.744 20 0 BCADHM O=C(NC[C@H]1CCC[C@@H]1O)c1cc(=O)[n-]cn1 ZINC000625870083 344244796 /nfs/dbraw/zinc/24/47/96/344244796.db2.gz CXYVFGFJWVICSB-APPZFPTMSA-N -1 3 237.259 0.073 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1C[C@@H]2COC[C@@H]2C1 ZINC000634775151 344296302 /nfs/dbraw/zinc/29/63/02/344296302.db2.gz VWSMPYXYORUZJA-PHIMTYICSA-N -1 3 248.282 0.435 20 0 BCADHM CSC[C@@H](C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000590378990 347052126 /nfs/dbraw/zinc/05/21/26/347052126.db2.gz ICWUMABJSWWLRX-RXMQYKEDSA-N -1 3 240.292 0.390 20 0 BCADHM Cn1[n-]nnc1=NC[C@@H]1N(C)CCCC1(C)C ZINC000684090510 488265386 /nfs/dbraw/zinc/26/53/86/488265386.db2.gz IISJRNMDKOIACK-VIFPVBQESA-N -1 3 238.339 0.164 20 0 BCADHM Cc1cc(NC(=O)c2cnn[n-]2)n(C)n1 ZINC000048939778 344594548 /nfs/dbraw/zinc/59/45/48/344594548.db2.gz GAAMVXRWKSKZJB-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM Cc1cc(NC(=O)c2c[n-]nn2)n(C)n1 ZINC000048939778 344594549 /nfs/dbraw/zinc/59/45/49/344594549.db2.gz GAAMVXRWKSKZJB-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM Cc1cc(NC(=O)c2cn[n-]n2)n(C)n1 ZINC000048939778 344594550 /nfs/dbraw/zinc/59/45/50/344594550.db2.gz GAAMVXRWKSKZJB-UHFFFAOYSA-N -1 3 206.209 0.099 20 0 BCADHM O=C(NCC(F)F)c1cc(=O)[n-]cn1 ZINC000625948282 344583670 /nfs/dbraw/zinc/58/36/70/344583670.db2.gz YGGMJOLRVAIIRD-UHFFFAOYSA-N -1 3 203.148 0.177 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)[C@H]1CCOC[C@H]1C ZINC000641426198 362410762 /nfs/dbraw/zinc/41/07/62/362410762.db2.gz OKIBYCHNSQBPPT-SCZZXKLOSA-N -1 3 249.332 0.310 20 0 BCADHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)C(C)(C)O ZINC000625960956 344601977 /nfs/dbraw/zinc/60/19/77/344601977.db2.gz OJBVMLROUUZELE-ZCFIWIBFSA-N -1 3 225.248 0.071 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@]2(CCOC2)C1 ZINC000626065519 344709822 /nfs/dbraw/zinc/70/98/22/344709822.db2.gz FWLQQTALJSCKOG-LBPRGKRZSA-N -1 3 249.270 0.435 20 0 BCADHM C[C@H](SCCc1nnn[n-]1)C(=O)C1CC1 ZINC000603339843 349916777 /nfs/dbraw/zinc/91/67/77/349916777.db2.gz HKIBIFOHHGZPQF-LURJTMIESA-N -1 3 226.305 0.843 20 0 BCADHM C[C@H](SCCc1nn[n-]n1)C(=O)C1CC1 ZINC000603339843 349916779 /nfs/dbraw/zinc/91/67/79/349916779.db2.gz HKIBIFOHHGZPQF-LURJTMIESA-N -1 3 226.305 0.843 20 0 BCADHM COC(=O)CCCSCCc1nnn[n-]1 ZINC000603339703 349916334 /nfs/dbraw/zinc/91/63/34/349916334.db2.gz OTTXFBXJZGXNDT-UHFFFAOYSA-N -1 3 230.293 0.429 20 0 BCADHM COC(=O)CCCSCCc1nn[n-]n1 ZINC000603339703 349916340 /nfs/dbraw/zinc/91/63/40/349916340.db2.gz OTTXFBXJZGXNDT-UHFFFAOYSA-N -1 3 230.293 0.429 20 0 BCADHM O=C(CNC1CC1)Nc1ccncc1[O-] ZINC000309470620 347071654 /nfs/dbraw/zinc/07/16/54/347071654.db2.gz ALPOAURRFHOVTD-UHFFFAOYSA-N -1 3 207.233 0.478 20 0 BCADHM CC1(CSCCc2nnn[n-]2)COC1 ZINC000603341038 349917192 /nfs/dbraw/zinc/91/71/92/349917192.db2.gz WJAMEPRWPMTULQ-UHFFFAOYSA-N -1 3 214.294 0.512 20 0 BCADHM CC1(CSCCc2nn[n-]n2)COC1 ZINC000603341038 349917195 /nfs/dbraw/zinc/91/71/95/349917195.db2.gz WJAMEPRWPMTULQ-UHFFFAOYSA-N -1 3 214.294 0.512 20 0 BCADHM CCc1nnc(CSCCc2nnn[n-]2)o1 ZINC000603339956 349917638 /nfs/dbraw/zinc/91/76/38/349917638.db2.gz WCDTTZJPJIFCRN-UHFFFAOYSA-N -1 3 240.292 0.621 20 0 BCADHM CCc1nnc(CSCCc2nn[n-]n2)o1 ZINC000603339956 349917640 /nfs/dbraw/zinc/91/76/40/349917640.db2.gz WCDTTZJPJIFCRN-UHFFFAOYSA-N -1 3 240.292 0.621 20 0 BCADHM C[C@@H]1OCC[C@H]1CSCCc1nnn[n-]1 ZINC000603340822 349917676 /nfs/dbraw/zinc/91/76/76/349917676.db2.gz AEGQHDMACMEIGT-YUMQZZPRSA-N -1 3 228.321 0.900 20 0 BCADHM C[C@@H]1OCC[C@H]1CSCCc1nn[n-]n1 ZINC000603340822 349917677 /nfs/dbraw/zinc/91/76/77/349917677.db2.gz AEGQHDMACMEIGT-YUMQZZPRSA-N -1 3 228.321 0.900 20 0 BCADHM CCOCCCC(=O)NN=c1cccn[n-]1 ZINC000077033925 344812933 /nfs/dbraw/zinc/81/29/33/344812933.db2.gz PGCZMOBDCRENLP-UHFFFAOYSA-N -1 3 224.264 0.736 20 0 BCADHM CC(C)[C@H](O)CSCCc1nnn[n-]1 ZINC000603341206 349918687 /nfs/dbraw/zinc/91/86/87/349918687.db2.gz MEMLSGQDEPIZML-SSDOTTSWSA-N -1 3 216.310 0.492 20 0 BCADHM CC(C)[C@H](O)CSCCc1nn[n-]n1 ZINC000603341206 349918692 /nfs/dbraw/zinc/91/86/92/349918692.db2.gz MEMLSGQDEPIZML-SSDOTTSWSA-N -1 3 216.310 0.492 20 0 BCADHM C[C@H](CC(=O)Nc1ccncc1[O-])n1ccnc1 ZINC000582126443 344843260 /nfs/dbraw/zinc/84/32/60/344843260.db2.gz DHOZSTLCRSZHBU-SECBINFHSA-N -1 3 246.270 0.995 20 0 BCADHM Cc1ccc(C(=O)N[C@H](CO)[C@@H](C)O)c([O-])c1 ZINC000387558800 344880219 /nfs/dbraw/zinc/88/02/19/344880219.db2.gz XAIUGMQENBBSSB-PSASIEDQSA-N -1 3 239.271 0.172 20 0 BCADHM CC12CC(C1)CN2C(=O)c1cc(=O)[n-]cn1 ZINC000628172464 344892968 /nfs/dbraw/zinc/89/29/68/344892968.db2.gz JBUFEFXTJOKXNT-UHFFFAOYSA-N -1 3 219.244 0.807 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](O)C2)c1 ZINC000061704404 178784615 /nfs/dbraw/zinc/78/46/15/178784615.db2.gz OKPFRGIQZOMLLH-VIFPVBQESA-N -1 3 221.256 0.907 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCC1=CCOCC1 ZINC000583451440 344999172 /nfs/dbraw/zinc/99/91/72/344999172.db2.gz UXCWGODMDYRAJU-UHFFFAOYSA-N -1 3 248.282 0.793 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC000641589433 362531364 /nfs/dbraw/zinc/53/13/64/362531364.db2.gz DEMCQFKMEFGKNQ-ZANVPECISA-N -1 3 233.267 0.907 20 0 BCADHM O=S(=O)([N-]CC1CSC1)c1c[nH]cn1 ZINC000641613933 362545464 /nfs/dbraw/zinc/54/54/64/362545464.db2.gz ZHTZXCIZEMKQFL-UHFFFAOYSA-N -1 3 233.318 0.051 20 0 BCADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000563059545 323083641 /nfs/dbraw/zinc/08/36/41/323083641.db2.gz QBKMWQGVWFYFQE-BDAKNGLRSA-N -1 3 243.332 0.745 20 0 BCADHM CN(Cc1cccn1C)C(=O)c1cc(=O)[n-]cn1 ZINC000626108053 345226595 /nfs/dbraw/zinc/22/65/95/345226595.db2.gz QGAOMGDLQYWLDT-UHFFFAOYSA-N -1 3 246.270 0.793 20 0 BCADHM C[C@@]1(C(=O)Nc2ccccc2[O-])CCNC1=O ZINC000635400416 345346809 /nfs/dbraw/zinc/34/68/09/345346809.db2.gz FKHQGNNVLXXDIK-GFCCVEGCSA-N -1 3 234.255 0.857 20 0 BCADHM CC(C)c1cc(NC(=O)c2nnc[n-]2)n[nH]1 ZINC000158568569 345349728 /nfs/dbraw/zinc/34/97/28/345349728.db2.gz RYNKQDIVQFKOKT-UHFFFAOYSA-N -1 3 220.236 0.904 20 0 BCADHM CC(C)c1cc(NC(=O)c2nc[n-]n2)n[nH]1 ZINC000158568569 345349731 /nfs/dbraw/zinc/34/97/31/345349731.db2.gz RYNKQDIVQFKOKT-UHFFFAOYSA-N -1 3 220.236 0.904 20 0 BCADHM c1cc(CSCCc2nnn[n-]2)on1 ZINC000603337040 349927599 /nfs/dbraw/zinc/92/75/99/349927599.db2.gz JFSQSDGQDCIXIA-UHFFFAOYSA-N -1 3 211.250 0.664 20 0 BCADHM c1cc(CSCCc2nn[n-]n2)on1 ZINC000603337040 349927602 /nfs/dbraw/zinc/92/76/02/349927602.db2.gz JFSQSDGQDCIXIA-UHFFFAOYSA-N -1 3 211.250 0.664 20 0 BCADHM COCC[C@H](C)SCCc1nnn[n-]1 ZINC000603338613 349929165 /nfs/dbraw/zinc/92/91/65/349929165.db2.gz MNWADXMOWUJOKF-ZETCQYMHSA-N -1 3 216.310 0.900 20 0 BCADHM COCC[C@H](C)SCCc1nn[n-]n1 ZINC000603338613 349929170 /nfs/dbraw/zinc/92/91/70/349929170.db2.gz MNWADXMOWUJOKF-ZETCQYMHSA-N -1 3 216.310 0.900 20 0 BCADHM O=C1CCCN1CCSCCc1nnn[n-]1 ZINC000603338782 349929214 /nfs/dbraw/zinc/92/92/14/349929214.db2.gz IVRBWWAWRFGMGY-UHFFFAOYSA-N -1 3 241.320 0.098 20 0 BCADHM O=C1CCCN1CCSCCc1nn[n-]n1 ZINC000603338782 349929221 /nfs/dbraw/zinc/92/92/21/349929221.db2.gz IVRBWWAWRFGMGY-UHFFFAOYSA-N -1 3 241.320 0.098 20 0 BCADHM CO[N-]C(=O)C[C@H](O)c1cccc(F)c1 ZINC000091033555 345581108 /nfs/dbraw/zinc/58/11/08/345581108.db2.gz ONLOCWRTNLAUGI-VIFPVBQESA-N -1 3 213.208 0.927 20 0 BCADHM CCc1nn(C)cc1[N-]S(=O)(=O)N(C)C ZINC000091021749 345580722 /nfs/dbraw/zinc/58/07/22/345580722.db2.gz GCZIAXVKVYBLRL-UHFFFAOYSA-N -1 3 232.309 0.201 20 0 BCADHM COC1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000091578187 345598920 /nfs/dbraw/zinc/59/89/20/345598920.db2.gz CWKKNYAZOHNAFL-UHFFFAOYSA-N -1 3 240.307 0.487 20 0 BCADHM COCC[C@@H](C)S(=O)(=O)[N-][C@@H](C)C(F)F ZINC000641702070 362615164 /nfs/dbraw/zinc/61/51/64/362615164.db2.gz MHNCCNBYZFFCND-RQJHMYQMSA-N -1 3 245.291 0.984 20 0 BCADHM CO[C@@H](C)c1nc(Cc2nnn[n-]2)cs1 ZINC000095156278 345682370 /nfs/dbraw/zinc/68/23/70/345682370.db2.gz YXIGAUQEOPEPTH-YFKPBYRVSA-N -1 3 225.277 0.954 20 0 BCADHM CO[C@@H](C)c1nc(Cc2nn[n-]n2)cs1 ZINC000095156278 345682371 /nfs/dbraw/zinc/68/23/71/345682371.db2.gz YXIGAUQEOPEPTH-YFKPBYRVSA-N -1 3 225.277 0.954 20 0 BCADHM c1cnc(N2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000095218315 345683967 /nfs/dbraw/zinc/68/39/67/345683967.db2.gz SKKQQVOGQNXROW-UHFFFAOYSA-N -1 3 232.247 0.098 20 0 BCADHM c1cnc(N2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000095218315 345683970 /nfs/dbraw/zinc/68/39/70/345683970.db2.gz SKKQQVOGQNXROW-UHFFFAOYSA-N -1 3 232.247 0.098 20 0 BCADHM O=C1OCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000095235150 345684341 /nfs/dbraw/zinc/68/43/41/345684341.db2.gz CORIFFDRRQEQEN-UHFFFAOYSA-N -1 3 232.203 0.218 20 0 BCADHM O=C1OCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000095235150 345684343 /nfs/dbraw/zinc/68/43/43/345684343.db2.gz CORIFFDRRQEQEN-UHFFFAOYSA-N -1 3 232.203 0.218 20 0 BCADHM O=C1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000095233102 345684410 /nfs/dbraw/zinc/68/44/10/345684410.db2.gz AWJVKZUPEWXMDR-UHFFFAOYSA-N -1 3 229.243 0.994 20 0 BCADHM O=C1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000095233102 345684411 /nfs/dbraw/zinc/68/44/11/345684411.db2.gz AWJVKZUPEWXMDR-UHFFFAOYSA-N -1 3 229.243 0.994 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]CCCF)cn1 ZINC000134506861 345691608 /nfs/dbraw/zinc/69/16/08/345691608.db2.gz OTINWBYSEJARDX-UHFFFAOYSA-N -1 3 235.284 0.541 20 0 BCADHM CC[C@H](CCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626148502 345766225 /nfs/dbraw/zinc/76/62/25/345766225.db2.gz QOEQPAQYFXZOHB-SSDOTTSWSA-N -1 3 225.248 0.073 20 0 BCADHM C[C@H](C(=O)Nc1ccncc1[O-])N(C)C ZINC000635742046 346054789 /nfs/dbraw/zinc/05/47/89/346054789.db2.gz ICOPPANQNAXHQU-SSDOTTSWSA-N -1 3 209.249 0.098 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCCOC1 ZINC000635915279 346108202 /nfs/dbraw/zinc/10/82/02/346108202.db2.gz WKGOOGHVUAABDH-UHFFFAOYSA-N -1 3 226.207 0.746 20 0 BCADHM Cc1nc([N-]C(=O)c2coc(CO)c2)nn1C ZINC000635955673 346131035 /nfs/dbraw/zinc/13/10/35/346131035.db2.gz MEEONIKODKMBED-UHFFFAOYSA-N -1 3 236.231 0.461 20 0 BCADHM Cc1cccc(C(=O)N2CC(O)C2)c1[O-] ZINC000062808723 179006719 /nfs/dbraw/zinc/00/67/19/179006719.db2.gz RENKPZFPBPGMBD-UHFFFAOYSA-N -1 3 207.229 0.517 20 0 BCADHM Cc1cccc(C(=O)NN2CCOCC2)c1[O-] ZINC000105738672 179020086 /nfs/dbraw/zinc/02/00/86/179020086.db2.gz PMPMDEDEXOQOIX-UHFFFAOYSA-N -1 3 236.271 0.678 20 0 BCADHM CCCCS(=O)(=O)c1nc(CC)n[n-]1 ZINC000153146188 346287175 /nfs/dbraw/zinc/28/71/75/346287175.db2.gz WRHYCNXHPCZYDS-UHFFFAOYSA-N -1 3 217.294 0.941 20 0 BCADHM CCCCS(=O)(=O)c1nnc(CC)[n-]1 ZINC000153146188 346287180 /nfs/dbraw/zinc/28/71/80/346287180.db2.gz WRHYCNXHPCZYDS-UHFFFAOYSA-N -1 3 217.294 0.941 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H]1C[C@@H]1C)C2 ZINC000636281841 346377224 /nfs/dbraw/zinc/37/72/24/346377224.db2.gz FUHUMECQRBLIHB-XPUUQOCRSA-N -1 3 233.271 0.989 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C(C)(C)O)C2 ZINC000636286037 346379028 /nfs/dbraw/zinc/37/90/28/346379028.db2.gz NYTFVOMUJNGSBO-UHFFFAOYSA-N -1 3 237.259 0.104 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1(O)CCC1)C2 ZINC000636286959 346379052 /nfs/dbraw/zinc/37/90/52/346379052.db2.gz WZXGFAAWMIGYOE-UHFFFAOYSA-N -1 3 249.270 0.248 20 0 BCADHM O=C(NCc1ncccc1F)c1c[n-]nn1 ZINC000157312080 346380476 /nfs/dbraw/zinc/38/04/76/346380476.db2.gz OQEOTQAJIFVCBU-UHFFFAOYSA-N -1 3 221.195 0.269 20 0 BCADHM O=C(NCc1ncccc1F)c1cnn[n-]1 ZINC000157312080 346380479 /nfs/dbraw/zinc/38/04/79/346380479.db2.gz OQEOTQAJIFVCBU-UHFFFAOYSA-N -1 3 221.195 0.269 20 0 BCADHM O=C(NCc1ncccc1F)c1cn[n-]n1 ZINC000157312080 346380482 /nfs/dbraw/zinc/38/04/82/346380482.db2.gz OQEOTQAJIFVCBU-UHFFFAOYSA-N -1 3 221.195 0.269 20 0 BCADHM COC1CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000390465153 259389790 /nfs/dbraw/zinc/38/97/90/259389790.db2.gz FIOOSIGRHKFJTG-UHFFFAOYSA-N -1 3 223.228 0.569 20 0 BCADHM CN(C(=O)Cc1cncc([O-])c1)[C@H]1CCOC1 ZINC000580093206 346520237 /nfs/dbraw/zinc/52/02/37/346520237.db2.gz BZROOFFPZPOBMS-JTQLQIEISA-N -1 3 236.271 0.577 20 0 BCADHM CCn1cc(CNC2(C(=O)[O-])CC2)cn1 ZINC000203655388 346646035 /nfs/dbraw/zinc/64/60/35/346646035.db2.gz DRORWQZQAQLGIV-UHFFFAOYSA-N -1 3 209.249 0.610 20 0 BCADHM C[C@@H](C[S@@](C)=O)N(C)Cc1ncccc1[O-] ZINC000589174683 346673651 /nfs/dbraw/zinc/67/36/51/346673651.db2.gz NTKHMEGADUJDAO-XXFAHNHDSA-N -1 3 242.344 0.986 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@@H]1O ZINC000387841717 347110078 /nfs/dbraw/zinc/11/00/78/347110078.db2.gz GFSHUWMABMKAMU-HQJQHLMTSA-N -1 3 237.255 0.551 20 0 BCADHM CCOC(=O)c1cc(NC(=O)CSC)n[n-]1 ZINC000183288823 347122963 /nfs/dbraw/zinc/12/29/63/347122963.db2.gz QWYXGBTTXCWOSW-UHFFFAOYSA-N -1 3 243.288 0.888 20 0 BCADHM CCOC(=O)c1cc(NC(=O)CSC)[n-]n1 ZINC000183288823 347122967 /nfs/dbraw/zinc/12/29/67/347122967.db2.gz QWYXGBTTXCWOSW-UHFFFAOYSA-N -1 3 243.288 0.888 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)CCC(C)(F)F ZINC000601300408 347175713 /nfs/dbraw/zinc/17/57/13/347175713.db2.gz XFUFBYSPQHNMMJ-UHFFFAOYSA-N -1 3 245.247 0.124 20 0 BCADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000388087475 347185826 /nfs/dbraw/zinc/18/58/26/347185826.db2.gz RVTPAJRXAMZPOK-SFYZADRCSA-N -1 3 229.305 0.734 20 0 BCADHM CN(Cc1c[nH]cn1)C(=O)Cc1cncc([O-])c1 ZINC000616929345 347497556 /nfs/dbraw/zinc/49/75/56/347497556.db2.gz YPSRHMZQJZATEZ-UHFFFAOYSA-N -1 3 246.270 0.711 20 0 BCADHM Cn1cccc1C(=O)C(=O)[N-]c1cnns1 ZINC000356767535 187377145 /nfs/dbraw/zinc/37/71/45/187377145.db2.gz LEHKVYMXJOOXLT-UHFFFAOYSA-N -1 3 236.256 0.698 20 0 BCADHM Cc1cc(C(=O)N[C@H]2CCNC2=O)ccc1[O-] ZINC000616961603 347536695 /nfs/dbraw/zinc/53/66/95/347536695.db2.gz YUZKTIXBMXWZRI-VIFPVBQESA-N -1 3 234.255 0.319 20 0 BCADHM COC(=O)C[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000591324259 347639217 /nfs/dbraw/zinc/63/92/17/347639217.db2.gz YJGCUJRAYDDXLB-HRDYMLBCSA-N -1 3 247.316 0.267 20 0 BCADHM COC(=O)[C@H](CC(C)(C)C)[N-]S(C)(=O)=O ZINC000592075811 347728917 /nfs/dbraw/zinc/72/89/17/347728917.db2.gz PEOFEEFEYQJQGD-ZETCQYMHSA-N -1 3 237.321 0.513 20 0 BCADHM C[C@@H](C(=O)Nc1ccncc1[O-])N(C)C ZINC000679676323 488363595 /nfs/dbraw/zinc/36/35/95/488363595.db2.gz ICOPPANQNAXHQU-ZETCQYMHSA-N -1 3 209.249 0.098 20 0 BCADHM Cc1cc(NC(=O)[C@@H]2C[C@@H]2N)ccc1C(=O)[O-] ZINC000577294776 365920449 /nfs/dbraw/zinc/92/04/49/365920449.db2.gz UCJARPOPRQEJAM-ZJUUUORDSA-N -1 3 234.255 0.979 20 0 BCADHM CCOCCS(=O)(=O)[N-]Cc1cocn1 ZINC000594041836 347994034 /nfs/dbraw/zinc/99/40/34/347994034.db2.gz IBTLBJYUBGWWLG-UHFFFAOYSA-N -1 3 234.277 0.131 20 0 BCADHM COc1nc(NC(=O)C=C[C@H]2CCOC2)n[n-]1 ZINC000493826939 348230366 /nfs/dbraw/zinc/23/03/66/348230366.db2.gz SCLOOXCACZGRLQ-XDVGHUOJSA-N -1 3 238.247 0.345 20 0 BCADHM COc1nnc(NC(=O)C=C[C@H]2CCOC2)[n-]1 ZINC000493826939 348230368 /nfs/dbraw/zinc/23/03/68/348230368.db2.gz SCLOOXCACZGRLQ-XDVGHUOJSA-N -1 3 238.247 0.345 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C\[C@H]2CCOC2)n1 ZINC000493826939 348230369 /nfs/dbraw/zinc/23/03/69/348230369.db2.gz SCLOOXCACZGRLQ-XDVGHUOJSA-N -1 3 238.247 0.345 20 0 BCADHM CC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000047167111 187395703 /nfs/dbraw/zinc/39/57/03/187395703.db2.gz PMVQDSXJYDMTBC-LBPRGKRZSA-N -1 3 247.254 0.700 20 0 BCADHM C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nc(=O)n(C)[n-]1 ZINC000419376451 192132311 /nfs/dbraw/zinc/13/23/11/192132311.db2.gz SZGKONYLPXQFAS-HRDYMLBCSA-N -1 3 224.308 0.585 20 0 BCADHM CCOC(=O)c1cc(-c2cnn(C)c2)[n-]n1 ZINC000596645784 348603365 /nfs/dbraw/zinc/60/33/65/348603365.db2.gz GKCOSPSNCXZDDW-UHFFFAOYSA-N -1 3 220.232 0.987 20 0 BCADHM CCOC(=O)c1cc(-c2nnc(C)n2C)n[n-]1 ZINC000596645752 348603523 /nfs/dbraw/zinc/60/35/23/348603523.db2.gz FUVRQXBXSDEVFI-UHFFFAOYSA-N -1 3 235.247 0.690 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCOCC12CCC2 ZINC000626231752 348565216 /nfs/dbraw/zinc/56/52/16/348565216.db2.gz RPKKZWLZGPDGDM-UHFFFAOYSA-N -1 3 249.270 0.577 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000598655288 349012673 /nfs/dbraw/zinc/01/26/73/349012673.db2.gz QHMFGAHAZIFUHM-YFKPBYRVSA-N -1 3 242.206 0.218 20 0 BCADHM CSC[C@@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000599535497 349211653 /nfs/dbraw/zinc/21/16/53/349211653.db2.gz OHMBRZXASMKVPT-ZCFIWIBFSA-N -1 3 227.289 0.664 20 0 BCADHM CO[N-]C(=O)CCCNC(=O)OC(C)(C)C ZINC000042003731 323215854 /nfs/dbraw/zinc/21/58/54/323215854.db2.gz KABPKEIUTYNITA-UHFFFAOYSA-N -1 3 232.280 0.969 20 0 BCADHM N=c1nc(N2CCCC[C@@H]2CN)nc2[nH][n-]cc1-2 ZINC000420182103 192171117 /nfs/dbraw/zinc/17/11/17/192171117.db2.gz YVMUSXHUVPQAKJ-SSDOTTSWSA-N -1 3 247.306 0.035 20 0 BCADHM COc1nnc(NC(=O)Cc2ccco2)[n-]1 ZINC000352643714 538041733 /nfs/dbraw/zinc/04/17/33/538041733.db2.gz CGOTYBMAMZKXPW-UHFFFAOYSA-N -1 3 222.204 0.588 20 0 BCADHM COc1nc(NC(=O)Cc2ccco2)n[n-]1 ZINC000352643714 538041737 /nfs/dbraw/zinc/04/17/37/538041737.db2.gz CGOTYBMAMZKXPW-UHFFFAOYSA-N -1 3 222.204 0.588 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2ccco2)n1 ZINC000352643714 538041745 /nfs/dbraw/zinc/04/17/45/538041745.db2.gz CGOTYBMAMZKXPW-UHFFFAOYSA-N -1 3 222.204 0.588 20 0 BCADHM CCOC(=O)Cn1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000601953651 349398559 /nfs/dbraw/zinc/39/85/59/349398559.db2.gz MRKJZMKRNCPVPI-GMSGAONNSA-N -1 3 224.260 0.794 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C[C@H]1C=CCC1 ZINC000603807959 350036530 /nfs/dbraw/zinc/03/65/30/350036530.db2.gz CPVGNNPOEZXAFX-QWRGUYRKSA-N -1 3 249.314 0.971 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)c2cc[nH]n2)[n-]1 ZINC000617877110 350041052 /nfs/dbraw/zinc/04/10/52/350041052.db2.gz CPBKLDIOKHMSLU-UHFFFAOYSA-N -1 3 249.230 0.562 20 0 BCADHM CCOC(=O)c1nc(NC(=O)c2cc[nH]n2)c[n-]1 ZINC000617877110 350041055 /nfs/dbraw/zinc/04/10/55/350041055.db2.gz CPBKLDIOKHMSLU-UHFFFAOYSA-N -1 3 249.230 0.562 20 0 BCADHM Cc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)o1 ZINC000603888067 350049690 /nfs/dbraw/zinc/04/96/90/350049690.db2.gz XOBOOHPVDKECFO-VIFPVBQESA-N -1 3 249.270 0.830 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CCOC1 ZINC000267871284 180026163 /nfs/dbraw/zinc/02/61/63/180026163.db2.gz LMLGQQAIMLLYIG-ZCFIWIBFSA-N -1 3 239.231 0.171 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1CCOC1 ZINC000267871281 180027498 /nfs/dbraw/zinc/02/74/98/180027498.db2.gz LMLGQQAIMLLYIG-LURJTMIESA-N -1 3 239.231 0.171 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C2CC(C)C2)cn1C ZINC000267795791 180029266 /nfs/dbraw/zinc/02/92/66/180029266.db2.gz SKPNQDHBFVAHLH-UHFFFAOYSA-N -1 3 243.332 0.805 20 0 BCADHM CCOCCS(=O)(=O)c1nc2c([n-]1)CCC2 ZINC000427043720 191051583 /nfs/dbraw/zinc/05/15/83/191051583.db2.gz FDKCISMSDBHTNW-UHFFFAOYSA-N -1 3 244.316 0.709 20 0 BCADHM C[C@H](C[N-]S(=O)(=O)c1cn(C)cn1)C1CC1 ZINC000075940935 350169122 /nfs/dbraw/zinc/16/91/22/350169122.db2.gz ORFAIYSCMZLNQE-MRVPVSSYSA-N -1 3 243.332 0.745 20 0 BCADHM Cc1ncc(NC(=O)c2cnn[n-]2)cn1 ZINC000343582388 180170051 /nfs/dbraw/zinc/17/00/51/180170051.db2.gz MXSPUHRTRSOBAU-UHFFFAOYSA-N -1 3 204.193 0.155 20 0 BCADHM Cc1ncc(NC(=O)c2c[n-]nn2)cn1 ZINC000343582388 180170055 /nfs/dbraw/zinc/17/00/55/180170055.db2.gz MXSPUHRTRSOBAU-UHFFFAOYSA-N -1 3 204.193 0.155 20 0 BCADHM Cc1ncc(NC(=O)c2cn[n-]n2)cn1 ZINC000343582388 180170056 /nfs/dbraw/zinc/17/00/56/180170056.db2.gz MXSPUHRTRSOBAU-UHFFFAOYSA-N -1 3 204.193 0.155 20 0 BCADHM Cc1ncc(CNC(=O)[C@@H](O)C(C)C)c(=O)[n-]1 ZINC000354611570 180150578 /nfs/dbraw/zinc/15/05/78/180150578.db2.gz JBLVFARZEURSDD-VIFPVBQESA-N -1 3 239.275 0.124 20 0 BCADHM Cc1cnc(C(=O)NCc2cnc[nH]2)c([O-])c1 ZINC000427457870 191075765 /nfs/dbraw/zinc/07/57/65/191075765.db2.gz GLVVXUVYWDHNMK-UHFFFAOYSA-N -1 3 232.243 0.749 20 0 BCADHM C[C@]1(NC(=O)c2cc(=O)[n-]cn2)CCOC1 ZINC000626271042 350244608 /nfs/dbraw/zinc/24/46/08/350244608.db2.gz WRDUCHSGVCGOPN-JTQLQIEISA-N -1 3 223.232 0.091 20 0 BCADHM CC[C@@H](N)C(=O)N(CC(=O)[O-])[C@@H](C)CC ZINC000040486111 350369178 /nfs/dbraw/zinc/36/91/78/350369178.db2.gz YAVVJTOPYWDPKK-JGVFFNPUSA-N -1 3 216.281 0.435 20 0 BCADHM Cc1nn(C)c(NC(=O)c2cnn[n-]2)c1C ZINC000359243599 180358954 /nfs/dbraw/zinc/35/89/54/180358954.db2.gz XHNQKXRYJRXSOR-UHFFFAOYSA-N -1 3 220.236 0.407 20 0 BCADHM Cc1nn(C)c(NC(=O)c2c[n-]nn2)c1C ZINC000359243599 180358956 /nfs/dbraw/zinc/35/89/56/180358956.db2.gz XHNQKXRYJRXSOR-UHFFFAOYSA-N -1 3 220.236 0.407 20 0 BCADHM Cc1nn(C)c(NC(=O)c2cn[n-]n2)c1C ZINC000359243599 180358959 /nfs/dbraw/zinc/35/89/59/180358959.db2.gz XHNQKXRYJRXSOR-UHFFFAOYSA-N -1 3 220.236 0.407 20 0 BCADHM Cc1nn(C)cc1C(=O)NCc1ncccc1[O-] ZINC000352518651 180369912 /nfs/dbraw/zinc/36/99/12/180369912.db2.gz YOLVWUMMHDFBRB-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM Cc1nn2c(nnc2SCCCO)[n-]c1=O ZINC000114860765 180394678 /nfs/dbraw/zinc/39/46/78/180394678.db2.gz LFANWUYNRAOVND-UHFFFAOYSA-N -1 3 241.276 0.008 20 0 BCADHM CC(C)(C)n1cc([N-]S(N)(=O)=O)cn1 ZINC000076106134 350532048 /nfs/dbraw/zinc/53/20/48/350532048.db2.gz GNJKSPYNSLCHBR-UHFFFAOYSA-N -1 3 218.282 0.254 20 0 BCADHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c[nH]cn2)O1 ZINC000397913391 350606932 /nfs/dbraw/zinc/60/69/32/350606932.db2.gz MCZVUDKDNJBYHV-JGVFFNPUSA-N -1 3 245.304 0.256 20 0 BCADHM Fc1cc(-c2nnn[n-]2)ccc1Cn1cncn1 ZINC000095219034 350656604 /nfs/dbraw/zinc/65/66/04/350656604.db2.gz DEJZKPAIVPFQEP-UHFFFAOYSA-N -1 3 245.221 0.646 20 0 BCADHM Fc1cc(-c2nn[n-]n2)ccc1Cn1cncn1 ZINC000095219034 350656606 /nfs/dbraw/zinc/65/66/06/350656606.db2.gz DEJZKPAIVPFQEP-UHFFFAOYSA-N -1 3 245.221 0.646 20 0 BCADHM c1cc(N2CCCC2)ncc1-c1nnn[n-]1 ZINC000095235137 350657930 /nfs/dbraw/zinc/65/79/30/350657930.db2.gz JCHGGJNJGPMQEO-UHFFFAOYSA-N -1 3 216.248 0.862 20 0 BCADHM c1cc(N2CCCC2)ncc1-c1nn[n-]n1 ZINC000095235137 350657932 /nfs/dbraw/zinc/65/79/32/350657932.db2.gz JCHGGJNJGPMQEO-UHFFFAOYSA-N -1 3 216.248 0.862 20 0 BCADHM COCc1nc(Cc2nnn[n-]2)cs1 ZINC000095298419 350658515 /nfs/dbraw/zinc/65/85/15/350658515.db2.gz SYLPALTYBJHTHP-UHFFFAOYSA-N -1 3 211.250 0.393 20 0 BCADHM COCc1nc(Cc2nn[n-]n2)cs1 ZINC000095298419 350658520 /nfs/dbraw/zinc/65/85/20/350658520.db2.gz SYLPALTYBJHTHP-UHFFFAOYSA-N -1 3 211.250 0.393 20 0 BCADHM CC(C)(C)C(=O)CNC(=O)c1cc(=O)[n-]cn1 ZINC000626296726 350903874 /nfs/dbraw/zinc/90/38/74/350903874.db2.gz RWVAZIUXHHBQTQ-UHFFFAOYSA-N -1 3 237.259 0.527 20 0 BCADHM Cc1ccc(C(=O)NC[C@H]2CNC(=O)C2)c([O-])c1 ZINC000398333035 351037082 /nfs/dbraw/zinc/03/70/82/351037082.db2.gz IXWQHJXRMSHNNW-SECBINFHSA-N -1 3 248.282 0.567 20 0 BCADHM O=C(c1ccccc1[O-])N1CCC2(C1)OCCO2 ZINC000306773690 351015015 /nfs/dbraw/zinc/01/50/15/351015015.db2.gz UVMNOUGQOBLOLI-UHFFFAOYSA-N -1 3 249.266 0.981 20 0 BCADHM CCc1cc(CNC(=O)c2c[n-]nn2)on1 ZINC000607343843 351324943 /nfs/dbraw/zinc/32/49/43/351324943.db2.gz KODMLIUTDLFCRG-UHFFFAOYSA-N -1 3 221.220 0.285 20 0 BCADHM CCc1cc(CNC(=O)c2cnn[n-]2)on1 ZINC000607343843 351324944 /nfs/dbraw/zinc/32/49/44/351324944.db2.gz KODMLIUTDLFCRG-UHFFFAOYSA-N -1 3 221.220 0.285 20 0 BCADHM CCc1cc(CNC(=O)c2cn[n-]n2)on1 ZINC000607343843 351324955 /nfs/dbraw/zinc/32/49/55/351324955.db2.gz KODMLIUTDLFCRG-UHFFFAOYSA-N -1 3 221.220 0.285 20 0 BCADHM CC[C@@H](Sc1n[n-]c(COC)n1)C(=O)OC ZINC000268537699 351336792 /nfs/dbraw/zinc/33/67/92/351336792.db2.gz LMMUAZOAKBOEBV-ZCFIWIBFSA-N -1 3 245.304 0.995 20 0 BCADHM CCC[N-]S(=O)(=O)c1conc1C ZINC000631643116 351382057 /nfs/dbraw/zinc/38/20/57/351382057.db2.gz CCOZNFKHOIXNBX-UHFFFAOYSA-N -1 3 204.251 0.671 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)C(N)=O ZINC000623602286 363040479 /nfs/dbraw/zinc/04/04/79/363040479.db2.gz JWPRVGJWUIUJQJ-ZETCQYMHSA-N -1 3 222.244 0.304 20 0 BCADHM CC[C@@H](OC)C(=O)Nc1nnc(OC)[n-]1 ZINC000272420782 351474441 /nfs/dbraw/zinc/47/44/41/351474441.db2.gz GNSHXSPZQOBBIB-RXMQYKEDSA-N -1 3 214.225 0.177 20 0 BCADHM CC[C@@H](OC)C(=O)Nc1n[n-]c(OC)n1 ZINC000272420782 351474445 /nfs/dbraw/zinc/47/44/45/351474445.db2.gz GNSHXSPZQOBBIB-RXMQYKEDSA-N -1 3 214.225 0.177 20 0 BCADHM CC[C@@H](OC)C(=O)Nc1nc(OC)n[n-]1 ZINC000272420782 351474447 /nfs/dbraw/zinc/47/44/47/351474447.db2.gz GNSHXSPZQOBBIB-RXMQYKEDSA-N -1 3 214.225 0.177 20 0 BCADHM CCC(C)(CC)[N-]S(=O)(=O)c1nncn1C ZINC000631959334 363049242 /nfs/dbraw/zinc/04/92/42/363049242.db2.gz QVKHOUFGWXSBTA-UHFFFAOYSA-N -1 3 246.336 0.672 20 0 BCADHM COC[C@H](O)CNC(=O)c1c(C)cccc1[O-] ZINC000626964848 363066589 /nfs/dbraw/zinc/06/65/89/363066589.db2.gz KQZKBWIBKGVHMS-SECBINFHSA-N -1 3 239.271 0.438 20 0 BCADHM CCc1cnc(C[N-]S(=O)(=O)CCOC)o1 ZINC000274731564 351579424 /nfs/dbraw/zinc/57/94/24/351579424.db2.gz UKIZWYYLCYDOFM-UHFFFAOYSA-N -1 3 248.304 0.303 20 0 BCADHM CC(C)CO[N-]C(=O)Cc1cncnc1 ZINC000283650608 187518155 /nfs/dbraw/zinc/51/81/55/187518155.db2.gz CVGDWRSLSQULQT-UHFFFAOYSA-N -1 3 209.249 0.723 20 0 BCADHM NCC(F)(F)CNC(=O)c1cc(F)c[n-]c1=O ZINC000638173878 352037783 /nfs/dbraw/zinc/03/77/83/352037783.db2.gz FVDNEGFYBYMIHI-UHFFFAOYSA-N -1 3 249.192 0.250 20 0 BCADHM CC1(C)CCC[C@@]1(O)CNC(=O)c1c[n-]nn1 ZINC000294541217 352380125 /nfs/dbraw/zinc/38/01/25/352380125.db2.gz VNYCDHNEERHUMO-LLVKDONJSA-N -1 3 238.291 0.476 20 0 BCADHM CC1(C)CCC[C@@]1(O)CNC(=O)c1cnn[n-]1 ZINC000294541217 352380126 /nfs/dbraw/zinc/38/01/26/352380126.db2.gz VNYCDHNEERHUMO-LLVKDONJSA-N -1 3 238.291 0.476 20 0 BCADHM CC1(C)CCC[C@@]1(O)CNC(=O)c1cn[n-]n1 ZINC000294541217 352380128 /nfs/dbraw/zinc/38/01/28/352380128.db2.gz VNYCDHNEERHUMO-LLVKDONJSA-N -1 3 238.291 0.476 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-][C@H]1CCOC1=O ZINC000306689501 353035142 /nfs/dbraw/zinc/03/51/42/353035142.db2.gz KZUHYFSNRKYZHB-BYPYZUCNSA-N -1 3 226.059 0.612 20 0 BCADHM C[C@@H](O)C[C@@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626421980 353106440 /nfs/dbraw/zinc/10/64/40/353106440.db2.gz QSQXSTLPHPGPHZ-RNFRBKRXSA-N -1 3 225.248 0.071 20 0 BCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H]1CCC(=O)N1 ZINC000626423856 353112641 /nfs/dbraw/zinc/11/26/41/353112641.db2.gz SYHMQKZBRYCATK-HTQZYQBOSA-N -1 3 249.270 0.640 20 0 BCADHM C[C@H](C(=O)Nc1ncccc1[O-])[C@@H]1CCC(=O)N1 ZINC000626423859 353112646 /nfs/dbraw/zinc/11/26/46/353112646.db2.gz SYHMQKZBRYCATK-YUMQZZPRSA-N -1 3 249.270 0.640 20 0 BCADHM C[C@H]1C[C@H](C)CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000334414178 353096890 /nfs/dbraw/zinc/09/68/90/353096890.db2.gz MGCGGQTZINEAHU-IUCAKERBSA-N -1 3 224.308 0.586 20 0 BCADHM COc1nc(NC(=O)[C@@H]2[C@H](C)C2(F)F)n[n-]1 ZINC000359709048 188068410 /nfs/dbraw/zinc/06/84/10/188068410.db2.gz BNMSBMFEQRVACH-IMJSIDKUSA-N -1 3 232.190 0.653 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2[C@H](C)C2(F)F)[n-]1 ZINC000359709048 188068411 /nfs/dbraw/zinc/06/84/11/188068411.db2.gz BNMSBMFEQRVACH-IMJSIDKUSA-N -1 3 232.190 0.653 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2[C@H](C)C2(F)F)n1 ZINC000359709048 188068413 /nfs/dbraw/zinc/06/84/13/188068413.db2.gz BNMSBMFEQRVACH-IMJSIDKUSA-N -1 3 232.190 0.653 20 0 BCADHM O=c1[n-]nc(CN2CCOC[C@@H]2C2CC2)s1 ZINC000375297944 188077949 /nfs/dbraw/zinc/07/79/49/188077949.db2.gz WIMIKAKLEZDQCT-MRVPVSSYSA-N -1 3 241.316 0.855 20 0 BCADHM O=c1[n-]nc(CN2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000375357096 188078171 /nfs/dbraw/zinc/07/81/71/188078171.db2.gz TXSDNEBFBZRXQI-JGVFFNPUSA-N -1 3 241.316 0.997 20 0 BCADHM CC(C)C[C@@H](NC(=O)[C@H]1CCCCN1)C(=O)[O-] ZINC000040471146 188083374 /nfs/dbraw/zinc/08/33/74/188083374.db2.gz OUXMHEQRQFTCER-NXEZZACHSA-N -1 3 242.319 0.744 20 0 BCADHM CC(C)C[C@@H](NC(=O)[C@H](N)C(C)(C)C)C(=O)[O-] ZINC000123750904 188083978 /nfs/dbraw/zinc/08/39/78/188083978.db2.gz ZXDUGJVAMJVVBM-BDAKNGLRSA-N -1 3 244.335 0.975 20 0 BCADHM CC(C)N1CC(NC(=O)c2cncc([O-])c2)C1 ZINC000341344425 188084116 /nfs/dbraw/zinc/08/41/16/188084116.db2.gz NLYFYPQSGVKGMF-UHFFFAOYSA-N -1 3 235.287 0.610 20 0 BCADHM COc1ccc([O-])c(C(=O)N2CC(C)(O)C2)c1 ZINC000089645318 188144602 /nfs/dbraw/zinc/14/46/02/188144602.db2.gz QBRYJUWPZLCSPJ-UHFFFAOYSA-N -1 3 237.255 0.608 20 0 BCADHM Cc1ccc([O-])c(CNCCOCCO)n1 ZINC000082432756 188138239 /nfs/dbraw/zinc/13/82/39/188138239.db2.gz GOOFZAAPPVKBDZ-UHFFFAOYSA-N -1 3 226.276 0.194 20 0 BCADHM CC(=O)[N-]OCC(=O)N1CCc2ccccc2C1 ZINC000176860962 188164918 /nfs/dbraw/zinc/16/49/18/188164918.db2.gz LUMMTUHGQFDLJL-UHFFFAOYSA-N -1 3 248.282 0.639 20 0 BCADHM CC(=O)NCCNC(=O)c1ccc([O-])c(C)c1 ZINC000226952720 188182702 /nfs/dbraw/zinc/18/27/02/188182702.db2.gz LLFGUYMIIOLRDC-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM [O-]c1cc(F)cc(CN(CCO)CCCO)c1 ZINC000274625138 188201019 /nfs/dbraw/zinc/20/10/19/188201019.db2.gz XRMRNPQWZJGBMN-UHFFFAOYSA-N -1 3 243.278 0.708 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C(C)(C)O)n1 ZINC000280180165 188204876 /nfs/dbraw/zinc/20/48/76/188204876.db2.gz SZHQZLFEKTXXHV-UHFFFAOYSA-N -1 3 210.233 0.805 20 0 BCADHM CC(C)N(Cc1nc(=O)n(C)[n-]1)C1CCC1 ZINC000353472008 188207486 /nfs/dbraw/zinc/20/74/86/188207486.db2.gz ABAVSXFDNVRIAG-UHFFFAOYSA-N -1 3 224.308 0.871 20 0 BCADHM CC(C)N(C)CC(=O)NCc1ncccc1[O-] ZINC000352502486 188229900 /nfs/dbraw/zinc/22/99/00/188229900.db2.gz VGXFIGHCKBXKOA-UHFFFAOYSA-N -1 3 237.303 0.744 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225903545 538114485 /nfs/dbraw/zinc/11/44/85/538114485.db2.gz RQZYPKWYLTYTHP-BDAKNGLRSA-N -1 3 228.292 0.117 20 0 BCADHM COc1ccc(NC(=O)[C@H](C)O)c([O-])c1 ZINC000135457737 538115448 /nfs/dbraw/zinc/11/54/48/538115448.db2.gz OOZSZLCWGGQJJJ-LURJTMIESA-N -1 3 211.217 0.720 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CC(F)C1 ZINC000525873006 259444365 /nfs/dbraw/zinc/44/43/65/259444365.db2.gz RBTTVLFEEJVAQH-UHFFFAOYSA-N -1 3 220.207 0.752 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CC(F)C1 ZINC000525873006 259444367 /nfs/dbraw/zinc/44/43/67/259444367.db2.gz RBTTVLFEEJVAQH-UHFFFAOYSA-N -1 3 220.207 0.752 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CC(F)C1 ZINC000525873006 259444368 /nfs/dbraw/zinc/44/43/68/259444368.db2.gz RBTTVLFEEJVAQH-UHFFFAOYSA-N -1 3 220.207 0.752 20 0 BCADHM O=c1[n-]c(CN2C[C@@H]3CCCC[C@@H]3C2)n[nH]1 ZINC000091589821 353410391 /nfs/dbraw/zinc/41/03/91/353410391.db2.gz JDVUCBFDUJHFKZ-DTORHVGOSA-N -1 3 222.292 0.720 20 0 BCADHM Cc1nn2c(nnc2SC[C@H](C)O)[n-]c1=O ZINC000193384005 353588655 /nfs/dbraw/zinc/58/86/55/353588655.db2.gz ZKMIWXWNVMYWLY-BYPYZUCNSA-N -1 3 241.276 0.006 20 0 BCADHM CCCN(CCO)C(=O)c1cccc2[n-]nnc21 ZINC000189818128 353627887 /nfs/dbraw/zinc/62/78/87/353627887.db2.gz XQWAMHMWBNUVHZ-UHFFFAOYSA-N -1 3 248.286 0.802 20 0 BCADHM CCCN(CCO)C(=O)c1cccc2nn[n-]c21 ZINC000189818128 353627889 /nfs/dbraw/zinc/62/78/89/353627889.db2.gz XQWAMHMWBNUVHZ-UHFFFAOYSA-N -1 3 248.286 0.802 20 0 BCADHM CCCN(CCO)C(=O)c1cccc2n[n-]nc21 ZINC000189818128 353627891 /nfs/dbraw/zinc/62/78/91/353627891.db2.gz XQWAMHMWBNUVHZ-UHFFFAOYSA-N -1 3 248.286 0.802 20 0 BCADHM Cn1cnc(C(=O)Nc2ncccc2[O-])c1 ZINC000178160262 366102145 /nfs/dbraw/zinc/10/21/45/366102145.db2.gz RHVOUERJHSZUEJ-UHFFFAOYSA-N -1 3 218.216 0.773 20 0 BCADHM CC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CCOCC1 ZINC000343405584 353878401 /nfs/dbraw/zinc/87/84/01/353878401.db2.gz RLIBVFMCAOTFTF-SECBINFHSA-N -1 3 240.307 0.805 20 0 BCADHM O=C([N-]c1nnc2ccccn21)c1csnn1 ZINC000343448362 353891821 /nfs/dbraw/zinc/89/18/21/353891821.db2.gz NRQSKDAMJQHVPX-UHFFFAOYSA-N -1 3 246.255 0.833 20 0 BCADHM CC(C)Cn1cc([N-]S(=O)(=O)N(C)C)cn1 ZINC000266552110 188551344 /nfs/dbraw/zinc/55/13/44/188551344.db2.gz IGJQTHPDPOADHS-UHFFFAOYSA-N -1 3 246.336 0.757 20 0 BCADHM C[C@H](O)C1(NC(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000630085377 363325377 /nfs/dbraw/zinc/32/53/77/363325377.db2.gz KYZKMDWXLORWND-LURJTMIESA-N -1 3 240.234 0.570 20 0 BCADHM CNC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000334571599 354099933 /nfs/dbraw/zinc/09/99/33/354099933.db2.gz HOQDTLWXXBXSSF-UHFFFAOYSA-N -1 3 223.158 0.253 20 0 BCADHM CNC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000334571599 354099936 /nfs/dbraw/zinc/09/99/36/354099936.db2.gz HOQDTLWXXBXSSF-UHFFFAOYSA-N -1 3 223.158 0.253 20 0 BCADHM CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000334571599 354099941 /nfs/dbraw/zinc/09/99/41/354099941.db2.gz HOQDTLWXXBXSSF-UHFFFAOYSA-N -1 3 223.158 0.253 20 0 BCADHM C[C@@H]1CC[C@@H](Cn2cc(Cl)c(=O)[n-]c2=O)O1 ZINC000232024599 363359866 /nfs/dbraw/zinc/35/98/66/363359866.db2.gz CERUTQUUWFHFNL-RQJHMYQMSA-N -1 3 244.678 0.758 20 0 BCADHM Cn1[n-]c(CN2CCC[C@H]3CCC[C@H]32)nc1=O ZINC000335084118 354618192 /nfs/dbraw/zinc/61/81/92/354618192.db2.gz QGDKDDQBLPNJGM-NXEZZACHSA-N -1 3 236.319 0.873 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]c2ccncc2)n1 ZINC000345657554 354738663 /nfs/dbraw/zinc/73/86/63/354738663.db2.gz GZGWYSDZLNKPFP-UHFFFAOYSA-N -1 3 238.272 0.038 20 0 BCADHM CCCN1CCC[C@H]1C(=O)Nc1nnn[n-]1 ZINC000346349707 354887544 /nfs/dbraw/zinc/88/75/44/354887544.db2.gz MHPYIZUTIRNQIT-ZETCQYMHSA-N -1 3 224.268 0.013 20 0 BCADHM CCCN1CCC[C@H]1C(=O)Nc1nn[n-]n1 ZINC000346349707 354887547 /nfs/dbraw/zinc/88/75/47/354887547.db2.gz MHPYIZUTIRNQIT-ZETCQYMHSA-N -1 3 224.268 0.013 20 0 BCADHM CN(CCN(C)C1CC1)Cc1n[nH]c(=O)[n-]1 ZINC000351962439 134021403 /nfs/dbraw/zinc/02/14/03/134021403.db2.gz WGLOBSUTVWXZOH-UHFFFAOYSA-N -1 3 225.296 0.036 20 0 BCADHM CC(=O)c1cnc(NC(=O)c2cnn[n-]2)s1 ZINC000346334484 354899199 /nfs/dbraw/zinc/89/91/99/354899199.db2.gz RRSWPIZKORGRGC-UHFFFAOYSA-N -1 3 237.244 0.716 20 0 BCADHM CC(=O)c1cnc(NC(=O)c2c[n-]nn2)s1 ZINC000346334484 354899204 /nfs/dbraw/zinc/89/92/04/354899204.db2.gz RRSWPIZKORGRGC-UHFFFAOYSA-N -1 3 237.244 0.716 20 0 BCADHM CC(=O)c1cnc(NC(=O)c2cn[n-]n2)s1 ZINC000346334484 354899207 /nfs/dbraw/zinc/89/92/07/354899207.db2.gz RRSWPIZKORGRGC-UHFFFAOYSA-N -1 3 237.244 0.716 20 0 BCADHM C[C@@H]1CC(C)(C)CN1Cc1nc(=O)n(C)[n-]1 ZINC000335188261 355087990 /nfs/dbraw/zinc/08/79/90/355087990.db2.gz GWJUXTGOIZMRAF-MRVPVSSYSA-N -1 3 224.308 0.729 20 0 BCADHM Cn1nccc1NC(=O)NCc1ncccc1[O-] ZINC000346894622 355146725 /nfs/dbraw/zinc/14/67/25/355146725.db2.gz PYNXNWCAGGPHJO-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM O=C(NCc1ncccc1[O-])Nc1ccncc1 ZINC000346901483 355149046 /nfs/dbraw/zinc/14/90/46/355149046.db2.gz XZIKWHFCWINWCP-UHFFFAOYSA-N -1 3 244.254 0.926 20 0 BCADHM COC(=O)c1cc(C(=O)Nc2cncnc2)c[n-]1 ZINC000346902730 355149122 /nfs/dbraw/zinc/14/91/22/355149122.db2.gz YFJRNHDTQUVQEH-UHFFFAOYSA-N -1 3 246.226 0.844 20 0 BCADHM CC[C@@H](N=c1ncnc2[nH][n-]cc1-2)[C@H](O)C(C)C ZINC000413545341 191395461 /nfs/dbraw/zinc/39/54/61/191395461.db2.gz QYLMGSYQXAJMDL-NXEZZACHSA-N -1 3 249.318 0.934 20 0 BCADHM C[C@@H]1CC[C@H](CN=c2ncnc3[nH][n-]cc2-3)O1 ZINC000413382305 191377743 /nfs/dbraw/zinc/37/77/43/191377743.db2.gz YSOJBJJCJAUXJK-HTQZYQBOSA-N -1 3 233.275 0.706 20 0 BCADHM C[C@H]1CC[C@@H](CN=c2ncnc3[nH][n-]cc2-3)O1 ZINC000413382308 191378720 /nfs/dbraw/zinc/37/87/20/191378720.db2.gz YSOJBJJCJAUXJK-YUMQZZPRSA-N -1 3 233.275 0.706 20 0 BCADHM CCn1c(=O)[n-]nc1S[C@H]1CCCNC1=O ZINC000335789827 355440785 /nfs/dbraw/zinc/44/07/85/355440785.db2.gz ZTMQPCHUVBHIJH-LURJTMIESA-N -1 3 242.304 0.374 20 0 BCADHM CC[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335810766 355495522 /nfs/dbraw/zinc/49/55/22/355495522.db2.gz KGBZLYVMHZYDBJ-LLVKDONJSA-N -1 3 224.308 0.730 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CC(F)C1 ZINC000335797100 355454213 /nfs/dbraw/zinc/45/42/13/355454213.db2.gz DKKDBSQWSWAWGB-UHFFFAOYSA-N -1 3 211.192 0.892 20 0 BCADHM O=S(=O)([N-]C1(C(F)F)CC1)N1CCCC1 ZINC000335807669 355479891 /nfs/dbraw/zinc/47/98/91/355479891.db2.gz SVNGTSDFGYKWCR-UHFFFAOYSA-N -1 3 240.275 0.714 20 0 BCADHM Cc1ccoc1CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000335827611 355553633 /nfs/dbraw/zinc/55/36/33/355553633.db2.gz RIWCZUMPMCBIEO-VIFPVBQESA-N -1 3 249.270 0.324 20 0 BCADHM C[C@H]1OCC[C@]1(C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626430825 355722938 /nfs/dbraw/zinc/72/29/38/355722938.db2.gz RGCRFMAGHIFRQY-HQJQHLMTSA-N -1 3 237.259 0.480 20 0 BCADHM C[C@H]1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1 ZINC000335890274 355682350 /nfs/dbraw/zinc/68/23/50/355682350.db2.gz WDCJETMOAPBEGF-DTWKUNHWSA-N -1 3 224.308 0.729 20 0 BCADHM Cn1nnnc1C[S@@](=O)c1cccc([O-])c1 ZINC000350559116 355727272 /nfs/dbraw/zinc/72/72/72/355727272.db2.gz RMEBQVIOOZVENI-MRXNPFEDSA-N -1 3 238.272 0.224 20 0 BCADHM CCc1nc(C(=O)[N-]c2nc[nH]n2)c(C)o1 ZINC000350562561 355728269 /nfs/dbraw/zinc/72/82/69/355728269.db2.gz VAQXDHHLEHVSRO-UHFFFAOYSA-N -1 3 221.220 0.916 20 0 BCADHM CC[C@@H](CO)NC(=O)c1csc(=O)[n-]1 ZINC000352041060 134056253 /nfs/dbraw/zinc/05/62/53/134056253.db2.gz XCHVMRJZZRQWTB-YFKPBYRVSA-N -1 3 216.262 0.349 20 0 BCADHM C/C=C/C[C@H](CO)NC(=O)c1csc(=O)[n-]1 ZINC000351144318 355953989 /nfs/dbraw/zinc/95/39/89/355953989.db2.gz WYJZJMKUNQYGDG-TYWZFMJISA-N -1 3 242.300 0.906 20 0 BCADHM NC(=O)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000299263234 181235532 /nfs/dbraw/zinc/23/55/32/181235532.db2.gz NEGNYZZFWRUIND-UHFFFAOYSA-N -1 3 248.282 0.486 20 0 BCADHM C/C=C/C[C@@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000351563900 356018899 /nfs/dbraw/zinc/01/88/99/356018899.db2.gz PPCQWZMPFIINOT-SGJFDWMWSA-N -1 3 233.275 0.465 20 0 BCADHM Cn1ncnc1SCc1cc(=O)c([O-])co1 ZINC000351790939 356087629 /nfs/dbraw/zinc/08/76/29/356087629.db2.gz KIWDTRZLOAZETN-UHFFFAOYSA-N -1 3 239.256 0.766 20 0 BCADHM NC(=O)[N-]C(=O)OCCCN1CCC=C(F)C1 ZINC000272395627 181255455 /nfs/dbraw/zinc/25/54/55/181255455.db2.gz DHEQTBGIAAKYDK-UHFFFAOYSA-N -1 3 245.254 0.741 20 0 BCADHM COc1ccc([O-])c(C(=O)NC/C=C/CO)c1 ZINC000617690908 356281628 /nfs/dbraw/zinc/28/16/28/356281628.db2.gz JHZOXZQWHYVKRD-NSCUHMNNSA-N -1 3 237.255 0.679 20 0 BCADHM Cc1ccc(C(=O)NC/C=C\CO)c([O-])c1 ZINC000617685417 356283274 /nfs/dbraw/zinc/28/32/74/356283274.db2.gz PCMTVXVECRFSCC-IHWYPQMZSA-N -1 3 221.256 0.979 20 0 BCADHM Cc1cc(C(=O)NC/C=C\CO)ccc1[O-] ZINC000617685563 356283910 /nfs/dbraw/zinc/28/39/10/356283910.db2.gz SCWSVCNDHUSDAC-IHWYPQMZSA-N -1 3 221.256 0.979 20 0 BCADHM CC(C)[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)C(=O)[O-] ZINC000087512999 491089368 /nfs/dbraw/zinc/08/93/68/491089368.db2.gz ADKRPBJUNKTGFU-RKDXNWHRSA-N -1 3 244.335 0.833 20 0 BCADHM CCc1nc(C(=O)NCc2ncccc2[O-])no1 ZINC000352515384 356374134 /nfs/dbraw/zinc/37/41/34/356374134.db2.gz GQCSQIKYLSGBSL-UHFFFAOYSA-N -1 3 248.242 0.663 20 0 BCADHM CNCC[N-]S(=O)(=O)c1sccc1F ZINC000420411328 192239375 /nfs/dbraw/zinc/23/93/75/192239375.db2.gz BMYOWZMCVTYQCM-UHFFFAOYSA-N -1 3 238.309 0.385 20 0 BCADHM C[C@H](CO)SCc1n[n-]c(=O)s1 ZINC000379320226 356443116 /nfs/dbraw/zinc/44/31/16/356443116.db2.gz VJYLWEYXSPSOLU-SCSAIBSYSA-N -1 3 206.292 0.858 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)C[C@H]1C=CCC1 ZINC000291383705 181286533 /nfs/dbraw/zinc/28/65/33/181286533.db2.gz BKPCFHGLJSAWDY-LURJTMIESA-N -1 3 235.247 0.198 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)C[C@H]1C=CCC1 ZINC000291383705 181286535 /nfs/dbraw/zinc/28/65/35/181286535.db2.gz BKPCFHGLJSAWDY-LURJTMIESA-N -1 3 235.247 0.198 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)C[C@H]1C=CCC1 ZINC000291383705 181286536 /nfs/dbraw/zinc/28/65/36/181286536.db2.gz BKPCFHGLJSAWDY-LURJTMIESA-N -1 3 235.247 0.198 20 0 BCADHM CCc1nocc1C(=O)[N-]c1nncn1C ZINC000613539044 363480007 /nfs/dbraw/zinc/48/00/07/363480007.db2.gz XHSWMQZVCFPJEL-UHFFFAOYSA-N -1 3 221.220 0.618 20 0 BCADHM O=C(N[C@H]1C[C@@H](CO)C1)c1cc(F)c[n-]c1=O ZINC000630089130 363485542 /nfs/dbraw/zinc/48/55/42/363485542.db2.gz LVIPVJWICHOKAC-WRXNHJIOSA-N -1 3 240.234 0.427 20 0 BCADHM C[C@H]1OCC[C@H]1CN(C)Cc1n[n-]c(=O)o1 ZINC000639674787 356591805 /nfs/dbraw/zinc/59/18/05/356591805.db2.gz AFSGHJOAOLWXAU-SFYZADRCSA-N -1 3 227.264 0.632 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)[C@@H](C)CO1 ZINC000623916121 356618485 /nfs/dbraw/zinc/61/84/85/356618485.db2.gz DMGAJFKPCPMPHQ-JGVFFNPUSA-N -1 3 237.259 0.432 20 0 BCADHM C[C@@H]1CO[C@@H](C)CN1C(=O)c1cc(=O)[n-]cn1 ZINC000623916122 356618514 /nfs/dbraw/zinc/61/85/14/356618514.db2.gz DMGAJFKPCPMPHQ-SFYZADRCSA-N -1 3 237.259 0.432 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)[C@H](C)CO1 ZINC000623916120 356618818 /nfs/dbraw/zinc/61/88/18/356618818.db2.gz DMGAJFKPCPMPHQ-HTQZYQBOSA-N -1 3 237.259 0.432 20 0 BCADHM CC(C)C[C@H]1CCCN1CC(=O)NCC(=O)[O-] ZINC000262169019 535327168 /nfs/dbraw/zinc/32/71/68/535327168.db2.gz DACXDBYKHAJXCM-SNVBAGLBSA-N -1 3 242.319 0.698 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCc2n[nH]cc2C1 ZINC000623776953 363546904 /nfs/dbraw/zinc/54/69/04/363546904.db2.gz IMZMJBDOWWMGOQ-UHFFFAOYSA-N -1 3 245.242 0.104 20 0 BCADHM CCN(C(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000623776615 363537064 /nfs/dbraw/zinc/53/70/64/363537064.db2.gz RDOUAUVQFBSTIU-UHFFFAOYSA-N -1 3 207.233 0.807 20 0 BCADHM CC[C@@H](O)CCNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000358640411 356874201 /nfs/dbraw/zinc/87/42/01/356874201.db2.gz MURKQKSNTBBEQO-MRVPVSSYSA-N -1 3 239.275 0.381 20 0 BCADHM C[C@H](CCO)CCN=c1ncnc2[nH][n-]cc1-2 ZINC000450570778 202201916 /nfs/dbraw/zinc/20/19/16/202201916.db2.gz XTLJBMBIHUCYKH-QMMMGPOBSA-N -1 3 235.291 0.547 20 0 BCADHM C[C@]1(CO)CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000626453837 356977571 /nfs/dbraw/zinc/97/75/71/356977571.db2.gz YWSFGTJBLQSTKU-LLVKDONJSA-N -1 3 237.259 0.169 20 0 BCADHM C/C=C/C[C@H](CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626492693 357085157 /nfs/dbraw/zinc/08/51/57/357085157.db2.gz ATHJQRPHSBDWEB-UFUPEUMYSA-N -1 3 237.259 0.239 20 0 BCADHM C/C=C\C[C@H](CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626492694 357085186 /nfs/dbraw/zinc/08/51/86/357085186.db2.gz ATHJQRPHSBDWEB-YAJNLLPGSA-N -1 3 237.259 0.239 20 0 BCADHM O[C@@H]1CC[C@H]1[N-]c1nnc(C(F)F)o1 ZINC000307105930 538784845 /nfs/dbraw/zinc/78/48/45/538784845.db2.gz JQNOUBGDLHMVPZ-QWWZWVQMSA-N -1 3 205.164 0.942 20 0 BCADHM Cc1cc(CNc2ccncc2C(=O)[O-])n(C)n1 ZINC000390447994 357093405 /nfs/dbraw/zinc/09/34/05/357093405.db2.gz ZGSBIMRFTBLBOM-UHFFFAOYSA-N -1 3 246.270 0.856 20 0 BCADHM CCCCN1CCO[C@H](CC(=O)[O-])C1 ZINC000085617740 357119784 /nfs/dbraw/zinc/11/97/84/357119784.db2.gz ABNUVCJYHQKAKS-SECBINFHSA-N -1 3 201.266 0.962 20 0 BCADHM CNC(=O)[C@H]1CCCN(Cc2ncccc2[O-])C1 ZINC000582387498 357120452 /nfs/dbraw/zinc/12/04/52/357120452.db2.gz ZAZKDUWHQQYMEZ-JTQLQIEISA-N -1 3 249.314 0.745 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CCC1 ZINC000157572781 538830047 /nfs/dbraw/zinc/83/00/47/538830047.db2.gz LDSLLOBMUYBTHQ-ZETCQYMHSA-N -1 3 229.305 0.877 20 0 BCADHM Cn1cc(C(C)(C)NC(=O)c2c[n-]nn2)cn1 ZINC000583176276 357501873 /nfs/dbraw/zinc/50/18/73/357501873.db2.gz LRBDHXJOYGVQBN-UHFFFAOYSA-N -1 3 234.263 0.203 20 0 BCADHM Cn1cc(C(C)(C)NC(=O)c2cnn[n-]2)cn1 ZINC000583176276 357501875 /nfs/dbraw/zinc/50/18/75/357501875.db2.gz LRBDHXJOYGVQBN-UHFFFAOYSA-N -1 3 234.263 0.203 20 0 BCADHM Cn1cc(C(C)(C)NC(=O)c2cn[n-]n2)cn1 ZINC000583176276 357501878 /nfs/dbraw/zinc/50/18/78/357501878.db2.gz LRBDHXJOYGVQBN-UHFFFAOYSA-N -1 3 234.263 0.203 20 0 BCADHM Cc1cccc(C(=O)N[C@@H]2CNC(=O)C2)c1[O-] ZINC000230655875 357545064 /nfs/dbraw/zinc/54/50/64/357545064.db2.gz BOLIVUIMPMZFRV-QMMMGPOBSA-N -1 3 234.255 0.319 20 0 BCADHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000231686302 357620676 /nfs/dbraw/zinc/62/06/76/357620676.db2.gz HXCFBTMNWGDUIP-YUMQZZPRSA-N -1 3 245.304 0.256 20 0 BCADHM COc1cnccc1[C@H](C)NC(=O)c1c[n-]nn1 ZINC000189668575 357657241 /nfs/dbraw/zinc/65/72/41/357657241.db2.gz CBLBPSNMJMHSSR-ZETCQYMHSA-N -1 3 247.258 0.699 20 0 BCADHM COc1cnccc1[C@H](C)NC(=O)c1cnn[n-]1 ZINC000189668575 357657243 /nfs/dbraw/zinc/65/72/43/357657243.db2.gz CBLBPSNMJMHSSR-ZETCQYMHSA-N -1 3 247.258 0.699 20 0 BCADHM COc1cnccc1[C@H](C)NC(=O)c1cn[n-]n1 ZINC000189668575 357657247 /nfs/dbraw/zinc/65/72/47/357657247.db2.gz CBLBPSNMJMHSSR-ZETCQYMHSA-N -1 3 247.258 0.699 20 0 BCADHM CC(C)CN(CCN(C)C)C(=O)CCC(=O)[O-] ZINC000037835879 358096028 /nfs/dbraw/zinc/09/60/28/358096028.db2.gz BGJRIHYGQHOZLP-UHFFFAOYSA-N -1 3 244.335 0.897 20 0 BCADHM OC[C@@H]1CC[C@H](N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000450649919 202226274 /nfs/dbraw/zinc/22/62/74/202226274.db2.gz XVTCTASNKDTZKW-SFYZADRCSA-N -1 3 233.275 0.299 20 0 BCADHM CCn1ccnc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000450676905 202232248 /nfs/dbraw/zinc/23/22/48/202232248.db2.gz GAAOZZXMBLNIDJ-UHFFFAOYSA-N -1 3 243.274 0.555 20 0 BCADHM CCC[C@@H](N)C(=O)N(CC(=O)[O-])[C@H](C)CC ZINC000040486126 358236916 /nfs/dbraw/zinc/23/69/16/358236916.db2.gz QTZRFVGXUKOCPU-RKDXNWHRSA-N -1 3 230.308 0.826 20 0 BCADHM O=C([O-])CN(C(=O)CNC1CC1)c1ccccc1 ZINC000040484148 358237196 /nfs/dbraw/zinc/23/71/96/358237196.db2.gz VBGJZROVGGVLGZ-UHFFFAOYSA-N -1 3 248.282 0.856 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000042229946 358519721 /nfs/dbraw/zinc/51/97/21/358519721.db2.gz GGFRJSQRPSVOOH-ZCFIWIBFSA-N -1 3 248.242 0.249 20 0 BCADHM CCCC[C@H](NC(=O)[C@H](N)CC)C(=O)[O-] ZINC000040482446 358442150 /nfs/dbraw/zinc/44/21/50/358442150.db2.gz MVSZHVKQFITNJP-SFYZADRCSA-N -1 3 216.281 0.483 20 0 BCADHM CC[C@H](C)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000174576342 134282908 /nfs/dbraw/zinc/28/29/08/134282908.db2.gz YYERIIFAQGSDRO-ZETCQYMHSA-N -1 3 226.280 0.193 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000175633240 134286971 /nfs/dbraw/zinc/28/69/71/134286971.db2.gz DAIYFRBEUJCIOX-ZETCQYMHSA-N -1 3 245.304 0.320 20 0 BCADHM CCc1nnc(S(=O)(=O)C[C@@H]2CCCO2)[n-]1 ZINC000175633240 134286972 /nfs/dbraw/zinc/28/69/72/134286972.db2.gz DAIYFRBEUJCIOX-ZETCQYMHSA-N -1 3 245.304 0.320 20 0 BCADHM CCN(C)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000132568626 358728305 /nfs/dbraw/zinc/72/83/05/358728305.db2.gz JORYQZLBFQFDQZ-UHFFFAOYSA-N -1 3 234.259 0.766 20 0 BCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)CCO1 ZINC000219865988 134292165 /nfs/dbraw/zinc/29/21/65/134292165.db2.gz GIKVTBGVKFMUKW-SFYZADRCSA-N -1 3 245.304 0.256 20 0 BCADHM COCCCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351363547 366516191 /nfs/dbraw/zinc/51/61/91/366516191.db2.gz CDJSZWZCGQHNBH-UHFFFAOYSA-N -1 3 236.231 0.811 20 0 BCADHM CCCCOCCS(=O)(=O)c1nnc[n-]1 ZINC000059695106 358920328 /nfs/dbraw/zinc/92/03/28/358920328.db2.gz NHFRXCOPQPZTFN-UHFFFAOYSA-N -1 3 233.293 0.395 20 0 BCADHM CCCCOCCS(=O)(=O)c1ncn[n-]1 ZINC000059695106 358920331 /nfs/dbraw/zinc/92/03/31/358920331.db2.gz NHFRXCOPQPZTFN-UHFFFAOYSA-N -1 3 233.293 0.395 20 0 BCADHM O=C(NCCC1CC(O)C1)c1cc(=O)[n-]cn1 ZINC000626668438 359024310 /nfs/dbraw/zinc/02/43/10/359024310.db2.gz MLHVDFKHAPEAPB-UHFFFAOYSA-N -1 3 237.259 0.073 20 0 BCADHM O=S(=O)([N-]C1CCC1)c1c[nH]cn1 ZINC000069948958 359036571 /nfs/dbraw/zinc/03/65/71/359036571.db2.gz LNZYDPHOGRWHNH-UHFFFAOYSA-N -1 3 201.251 0.241 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CCCOC1)c1c[nH]cn1 ZINC000069948751 359036635 /nfs/dbraw/zinc/03/66/35/359036635.db2.gz ZDRHYMSHJYCMIK-QMMMGPOBSA-N -1 3 245.304 0.115 20 0 BCADHM Cc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000070079134 359039913 /nfs/dbraw/zinc/03/99/13/359039913.db2.gz AQNZKKFECYGIMG-UHFFFAOYSA-N -1 3 247.254 0.485 20 0 BCADHM C[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)[C@H]1CO ZINC000626609949 358983695 /nfs/dbraw/zinc/98/36/95/358983695.db2.gz PJKXNRPDOQPQMG-APPZFPTMSA-N -1 3 237.259 0.025 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCCCCO1 ZINC000626630304 358994613 /nfs/dbraw/zinc/99/46/13/358994613.db2.gz MSZZXIKDDNDKEJ-UHFFFAOYSA-N -1 3 223.232 0.740 20 0 BCADHM O=C(NC[C@H]1CC[C@@H](O)C1)c1cc(=O)[n-]cn1 ZINC000626631390 358996292 /nfs/dbraw/zinc/99/62/92/358996292.db2.gz WZZLSAPZHNDZDN-JGVFFNPUSA-N -1 3 237.259 0.073 20 0 BCADHM C[C@H](O)CCCNC(=O)c1cc(=O)[n-]cn1 ZINC000626705208 359509590 /nfs/dbraw/zinc/50/95/90/359509590.db2.gz JKGKCFNEZZREBW-ZETCQYMHSA-N -1 3 225.248 0.073 20 0 BCADHM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCNC(C)(C)C1 ZINC000580465683 359570460 /nfs/dbraw/zinc/57/04/60/359570460.db2.gz SFXRDZMYHANALG-SECBINFHSA-N -1 3 242.319 0.554 20 0 BCADHM CC[C@@H](CO)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450981023 202325216 /nfs/dbraw/zinc/32/52/16/202325216.db2.gz WIRGAIKEOUXVQX-VIFPVBQESA-N -1 3 241.262 0.961 20 0 BCADHM CCn1ccc(C(=O)NCc2ncccc2[O-])n1 ZINC000578444892 366570629 /nfs/dbraw/zinc/57/06/29/366570629.db2.gz JGBVSZMMHCEPLS-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)CC)C(F)F ZINC000451077202 202348348 /nfs/dbraw/zinc/34/83/48/202348348.db2.gz BPKBBLFGDMKOEA-YFKPBYRVSA-N -1 3 201.238 0.969 20 0 BCADHM COC(=O)[C@H]([N-]S(=O)(=O)C1(C)CC1)C1CC1 ZINC000451278946 202395516 /nfs/dbraw/zinc/39/55/16/202395516.db2.gz YRYFMTVHJZWTEX-MRVPVSSYSA-N -1 3 247.316 0.410 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)c1cccnc1 ZINC000088330249 359947113 /nfs/dbraw/zinc/94/71/13/359947113.db2.gz NGISQHSKXQUIEY-SSDOTTSWSA-N -1 3 217.232 0.691 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)c1cccnc1 ZINC000088330249 359947118 /nfs/dbraw/zinc/94/71/18/359947118.db2.gz NGISQHSKXQUIEY-SSDOTTSWSA-N -1 3 217.232 0.691 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)c1cccnc1 ZINC000088330249 359947125 /nfs/dbraw/zinc/94/71/25/359947125.db2.gz NGISQHSKXQUIEY-SSDOTTSWSA-N -1 3 217.232 0.691 20 0 BCADHM CC1=CCCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000626839875 359981510 /nfs/dbraw/zinc/98/15/10/359981510.db2.gz VXZIGBGKLUDAGA-UHFFFAOYSA-N -1 3 219.244 0.974 20 0 BCADHM COCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000095190622 360334459 /nfs/dbraw/zinc/33/44/59/360334459.db2.gz YWFLIRDOPHRCRB-UHFFFAOYSA-N -1 3 247.258 0.129 20 0 BCADHM COCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000095190622 360334460 /nfs/dbraw/zinc/33/44/60/360334460.db2.gz YWFLIRDOPHRCRB-UHFFFAOYSA-N -1 3 247.258 0.129 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC000613086286 360347923 /nfs/dbraw/zinc/34/79/23/360347923.db2.gz KLSTVQQNRWOIIL-MTBHXBHISA-N -1 3 220.228 0.040 20 0 BCADHM CC(C)(F)CNC(=O)c1cc(=O)[n-]cn1 ZINC000633718567 360354130 /nfs/dbraw/zinc/35/41/30/360354130.db2.gz FUNQEAHNAZDRKR-UHFFFAOYSA-N -1 3 213.212 0.660 20 0 BCADHM CNC(=O)Cc1nc(=O)c2c(C)csc2[n-]1 ZINC000614108528 363726485 /nfs/dbraw/zinc/72/64/85/363726485.db2.gz SLUHEJDFOXHOBF-UHFFFAOYSA-N -1 3 237.284 0.994 20 0 BCADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)c1ncon1 ZINC000613144534 360447159 /nfs/dbraw/zinc/44/71/59/360447159.db2.gz AFUPNHLZBURWBC-SSDOTTSWSA-N -1 3 248.242 0.590 20 0 BCADHM O=C(N[C@H]1CCCC12CC2)c1c[n-]nn1 ZINC000633769620 360455033 /nfs/dbraw/zinc/45/50/33/360455033.db2.gz NKNACBWKTNDKPT-QMMMGPOBSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(N[C@H]1CCCC12CC2)c1cnn[n-]1 ZINC000633769620 360455035 /nfs/dbraw/zinc/45/50/35/360455035.db2.gz NKNACBWKTNDKPT-QMMMGPOBSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(N[C@H]1CCCC12CC2)c1cn[n-]n1 ZINC000633769620 360455037 /nfs/dbraw/zinc/45/50/37/360455037.db2.gz NKNACBWKTNDKPT-QMMMGPOBSA-N -1 3 206.249 0.867 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1CC2(C1)CCCO2 ZINC000628789861 360654469 /nfs/dbraw/zinc/65/44/69/360654469.db2.gz GHFIAZLWFXCGRK-UHFFFAOYSA-N -1 3 240.284 0.854 20 0 BCADHM COc1nnc(NC(=O)c2cnc3n2CCC3)[n-]1 ZINC000613195046 360681953 /nfs/dbraw/zinc/68/19/53/360681953.db2.gz BRDQJZIKGNBQTC-UHFFFAOYSA-N -1 3 248.246 0.208 20 0 BCADHM COc1nc(NC(=O)c2cnc3n2CCC3)n[n-]1 ZINC000613195046 360681962 /nfs/dbraw/zinc/68/19/62/360681962.db2.gz BRDQJZIKGNBQTC-UHFFFAOYSA-N -1 3 248.246 0.208 20 0 BCADHM COc1n[n-]c(NC(=O)c2cnc3n2CCC3)n1 ZINC000613195046 360681969 /nfs/dbraw/zinc/68/19/69/360681969.db2.gz BRDQJZIKGNBQTC-UHFFFAOYSA-N -1 3 248.246 0.208 20 0 BCADHM Cn1cc(C(=O)N(C2CC2)C2CC2)c(=O)[n-]c1=O ZINC000628819689 360674184 /nfs/dbraw/zinc/67/41/84/360674184.db2.gz JBICMLYNKSOZKA-UHFFFAOYSA-N -1 3 249.270 0.253 20 0 BCADHM O=C(NC[C@H]1C[C@@H](O)C1)c1ccccc1[O-] ZINC000629068326 360862860 /nfs/dbraw/zinc/86/28/60/360862860.db2.gz BEEPPVUVWLIXOL-DTORHVGOSA-N -1 3 221.256 0.893 20 0 BCADHM CC[C@H](C)CC[N-]S(=O)(=O)c1nncn1C ZINC000632549769 360902158 /nfs/dbraw/zinc/90/21/58/360902158.db2.gz GLOQMJXVPGORJR-QMMMGPOBSA-N -1 3 246.336 0.530 20 0 BCADHM COc1ccc(NC(=O)c2cnn[n-]2)nc1 ZINC000238388527 360990021 /nfs/dbraw/zinc/99/00/21/360990021.db2.gz UYFWLMOEGCHOAE-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1ccc(NC(=O)c2c[n-]nn2)nc1 ZINC000238388527 360990023 /nfs/dbraw/zinc/99/00/23/360990023.db2.gz UYFWLMOEGCHOAE-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1ccc(NC(=O)c2cn[n-]n2)nc1 ZINC000238388527 360990024 /nfs/dbraw/zinc/99/00/24/360990024.db2.gz UYFWLMOEGCHOAE-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM C[C@@H]1C[C@@H]1CN1CCOC[C@H]1CC(=O)[O-] ZINC000629360369 361008325 /nfs/dbraw/zinc/00/83/25/361008325.db2.gz PAABSWCYQNEGLZ-OPRDCNLKSA-N -1 3 213.277 0.818 20 0 BCADHM C[C@H]1C[C@H]1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000629370577 361017990 /nfs/dbraw/zinc/01/79/90/361017990.db2.gz MKHSZEVRNGMTKT-JXUBOQSCSA-N -1 3 213.277 0.816 20 0 BCADHM N[C@H](CC(F)F)C(=O)NCc1ncccc1[O-] ZINC000578986460 366686744 /nfs/dbraw/zinc/68/67/44/366686744.db2.gz ZTYSLPJXZGMVAJ-ZCFIWIBFSA-N -1 3 245.229 0.386 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)NC1COC1 ZINC000634260456 361151089 /nfs/dbraw/zinc/15/10/89/361151089.db2.gz NJYCSHCVZACWND-UHFFFAOYSA-N -1 3 225.219 0.589 20 0 BCADHM CC(C)(F)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000632609184 361166937 /nfs/dbraw/zinc/16/69/37/361166937.db2.gz YEOWZMBWWPXGIZ-UHFFFAOYSA-N -1 3 221.257 0.436 20 0 BCADHM Cn1cc(NC(=O)c2cccc([O-])c2)nn1 ZINC000428534511 201026477 /nfs/dbraw/zinc/02/64/77/201026477.db2.gz IRVNDKZIGRXBDT-UHFFFAOYSA-N -1 3 218.216 0.773 20 0 BCADHM NC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000237962447 181329565 /nfs/dbraw/zinc/32/95/65/181329565.db2.gz JLYXXMHTDHFVDE-UHFFFAOYSA-N -1 3 244.258 0.297 20 0 BCADHM O=C(NCc1cc2n(n1)CCCC2)c1c[n-]nn1 ZINC000640625573 361335987 /nfs/dbraw/zinc/33/59/87/361335987.db2.gz LRSWWRDEOTXVGW-UHFFFAOYSA-N -1 3 246.274 0.268 20 0 BCADHM O=C(NCc1cc2n(n1)CCCC2)c1cnn[n-]1 ZINC000640625573 361335992 /nfs/dbraw/zinc/33/59/92/361335992.db2.gz LRSWWRDEOTXVGW-UHFFFAOYSA-N -1 3 246.274 0.268 20 0 BCADHM O=C(NCc1cc2n(n1)CCCC2)c1cn[n-]n1 ZINC000640625573 361335996 /nfs/dbraw/zinc/33/59/96/361335996.db2.gz LRSWWRDEOTXVGW-UHFFFAOYSA-N -1 3 246.274 0.268 20 0 BCADHM CC(C)[C@@H](CO)CNC(=O)c1cc(=O)[n-]cn1 ZINC000627239215 363785214 /nfs/dbraw/zinc/78/52/14/363785214.db2.gz CKERHTBFPCOVMW-MRVPVSSYSA-N -1 3 239.275 0.177 20 0 BCADHM CC(C)[C@H](CO)CNC(=O)c1cc(=O)[n-]cn1 ZINC000627239216 363785289 /nfs/dbraw/zinc/78/52/89/363785289.db2.gz CKERHTBFPCOVMW-QMMMGPOBSA-N -1 3 239.275 0.177 20 0 BCADHM CCn1c(=O)[n-]nc1SC[C@H]1CNC(=O)C1 ZINC000579253425 366748303 /nfs/dbraw/zinc/74/83/03/366748303.db2.gz STCRGWDZJRASTM-ZCFIWIBFSA-N -1 3 242.304 0.232 20 0 BCADHM O=c1[n-]c(CN[C@@H]2Cc3cccc(O)c3C2)n[nH]1 ZINC000429321730 201101513 /nfs/dbraw/zinc/10/15/13/201101513.db2.gz ZTIWMZWRTYXRHY-MRVPVSSYSA-N -1 3 246.270 0.473 20 0 BCADHM CC(C)CCCN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000429326231 201102490 /nfs/dbraw/zinc/10/24/90/201102490.db2.gz GDGNTVSBCHLLAG-SNVBAGLBSA-N -1 3 239.319 0.659 20 0 BCADHM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C)nc1C ZINC000632630073 361421383 /nfs/dbraw/zinc/42/13/83/361421383.db2.gz FSTJDGHKCRMAOW-VXNVDRBHSA-N -1 3 243.332 0.898 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1CCC(=O)C1 ZINC000579478373 366825815 /nfs/dbraw/zinc/82/58/15/366825815.db2.gz YUZJFPBIEZRHOD-SSDOTTSWSA-N -1 3 220.228 0.517 20 0 BCADHM CNCC[N-]S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000579472206 366819820 /nfs/dbraw/zinc/81/98/20/366819820.db2.gz GZXFXDXUIRLBGF-YFKPBYRVSA-N -1 3 234.243 0.076 20 0 BCADHM CO[C@@H]1COC[C@H]1NCc1ncccc1[O-] ZINC000579475201 366822218 /nfs/dbraw/zinc/82/22/18/366822218.db2.gz UOOPWSKHVITKRB-MWLCHTKSSA-N -1 3 224.260 0.291 20 0 BCADHM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000632630986 361454406 /nfs/dbraw/zinc/45/44/06/361454406.db2.gz SNJBNTODVOBCQS-NKWVEPMBSA-N -1 3 215.278 0.107 20 0 BCADHM COc1nnc(NC(=O)c2[nH]ccc2C)[n-]1 ZINC000436146545 201310083 /nfs/dbraw/zinc/31/00/83/201310083.db2.gz BGKXMCDXWXXTSB-UHFFFAOYSA-N -1 3 221.220 0.702 20 0 BCADHM COc1nc(NC(=O)c2[nH]ccc2C)n[n-]1 ZINC000436146545 201310087 /nfs/dbraw/zinc/31/00/87/201310087.db2.gz BGKXMCDXWXXTSB-UHFFFAOYSA-N -1 3 221.220 0.702 20 0 BCADHM COc1n[n-]c(NC(=O)c2[nH]ccc2C)n1 ZINC000436146545 201310089 /nfs/dbraw/zinc/31/00/89/201310089.db2.gz BGKXMCDXWXXTSB-UHFFFAOYSA-N -1 3 221.220 0.702 20 0 BCADHM COc1cccc(C(=O)Nc2cn(C)nn2)c1[O-] ZINC000436661273 201335107 /nfs/dbraw/zinc/33/51/07/201335107.db2.gz YCWRCSMEELFPBX-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM O=C(NCc1nnc[nH]1)C(=O)c1ccc([O-])cc1 ZINC000436919055 201342301 /nfs/dbraw/zinc/34/23/01/201342301.db2.gz AFMOJRVBYUVWGX-UHFFFAOYSA-N -1 3 246.226 0.009 20 0 BCADHM Cc1cc(CS(=O)(=O)[N-]C2(C)COC2)no1 ZINC000632665671 361729650 /nfs/dbraw/zinc/72/96/50/361729650.db2.gz ZCQGTTMKOYRSIM-UHFFFAOYSA-N -1 3 246.288 0.191 20 0 BCADHM CCC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630221589 364026083 /nfs/dbraw/zinc/02/60/83/364026083.db2.gz CUYSAWQHUHWBOO-UHFFFAOYSA-N -1 3 228.292 0.404 20 0 BCADHM CN(C)CCCS(=O)(=O)[N-]CC(F)F ZINC000632054410 364063278 /nfs/dbraw/zinc/06/32/78/364063278.db2.gz WIKXEHSBEURMGU-UHFFFAOYSA-N -1 3 230.280 0.123 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2cc(F)c[n-]c2=O)CO1 ZINC000622123200 370723722 /nfs/dbraw/zinc/72/37/22/370723722.db2.gz DUPLGXULSYONPI-HTRCEHHLSA-N -1 3 240.234 0.834 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C1)c1cc(F)c[n-]c1=O ZINC000622185917 370752775 /nfs/dbraw/zinc/75/27/75/370752775.db2.gz TZOVHMRMTCBQKQ-LJGSYFOKSA-N -1 3 226.207 0.179 20 0 BCADHM CCN[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000630574004 364270867 /nfs/dbraw/zinc/27/08/67/364270867.db2.gz MKWQXCCSUZBDSV-IVZWLZJFSA-N -1 3 242.319 0.696 20 0 BCADHM CCN[C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000630574005 364270943 /nfs/dbraw/zinc/27/09/43/364270943.db2.gz MKWQXCCSUZBDSV-OPRDCNLKSA-N -1 3 242.319 0.696 20 0 BCADHM CC1(CC(=O)[N-]c2nnc3[nH]cnn23)CC1 ZINC000614994243 364286402 /nfs/dbraw/zinc/28/64/02/364286402.db2.gz PGIIBTHHBIJGIF-UHFFFAOYSA-N -1 3 220.236 0.581 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C12CCC(CC1)C2 ZINC000614994300 364289671 /nfs/dbraw/zinc/28/96/71/364289671.db2.gz PXWRSYKCGOMZEU-UHFFFAOYSA-N -1 3 246.274 0.971 20 0 BCADHM CCC(=O)C1(C(=O)[N-]c2nnc3[nH]cnn23)CC1 ZINC000614996914 364309307 /nfs/dbraw/zinc/30/93/07/364309307.db2.gz QSSZITYLGBNASL-UHFFFAOYSA-N -1 3 248.246 0.150 20 0 BCADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)[N-]c1nnc2[nH]cnn12 ZINC000614997136 364309323 /nfs/dbraw/zinc/30/93/23/364309323.db2.gz SNIJWVJMGDXNQO-CSMHCCOUSA-N -1 3 246.274 0.827 20 0 BCADHM C[C@H](C(=O)[N-]c1nnc2[nH]cnn12)C1CCC1 ZINC000614997476 364313044 /nfs/dbraw/zinc/31/30/44/364313044.db2.gz XBVOAVCDVNFSJP-LURJTMIESA-N -1 3 234.263 0.827 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCNC1=O ZINC000630797146 364562707 /nfs/dbraw/zinc/56/27/07/364562707.db2.gz STCPXLLPTPGZHT-MRVPVSSYSA-N -1 3 234.255 0.857 20 0 BCADHM CCc1nocc1C(=O)[N-]c1nc(C)n(C)n1 ZINC000615184222 364611411 /nfs/dbraw/zinc/61/14/11/364611411.db2.gz GXNWPLNPBBXQFF-UHFFFAOYSA-N -1 3 235.247 0.926 20 0 BCADHM CSc1nnc(NC(=O)C2CSC2)[n-]1 ZINC000630859264 364618479 /nfs/dbraw/zinc/61/84/79/364618479.db2.gz CELSZZCWYUSUMP-UHFFFAOYSA-N -1 3 230.318 0.828 20 0 BCADHM CSc1n[n-]c(NC(=O)C2CSC2)n1 ZINC000630859264 364618486 /nfs/dbraw/zinc/61/84/86/364618486.db2.gz CELSZZCWYUSUMP-UHFFFAOYSA-N -1 3 230.318 0.828 20 0 BCADHM CSc1nc(NC(=O)C2CSC2)n[n-]1 ZINC000630859264 364618493 /nfs/dbraw/zinc/61/84/93/364618493.db2.gz CELSZZCWYUSUMP-UHFFFAOYSA-N -1 3 230.318 0.828 20 0 BCADHM CC(C)CC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000564903970 364699077 /nfs/dbraw/zinc/69/90/77/364699077.db2.gz GAONSSGFNSDSEH-UHFFFAOYSA-N -1 3 231.321 0.745 20 0 BCADHM COC[C@@H]1CN([C@@H](C(=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000573855457 364931614 /nfs/dbraw/zinc/93/16/14/364931614.db2.gz IIEGOLOKBUWENT-DVVUODLYSA-N -1 3 243.303 0.585 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)[O-] ZINC000574259925 365020752 /nfs/dbraw/zinc/02/07/52/365020752.db2.gz FIUYRHJGSAXOOB-AEJSXWLSSA-N -1 3 241.287 0.877 20 0 BCADHM O=S(=O)([N-]Cc1cccnn1)c1ccco1 ZINC000443923586 193032519 /nfs/dbraw/zinc/03/25/19/193032519.db2.gz CZGYBOIMHXNSAE-UHFFFAOYSA-N -1 3 239.256 0.548 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)NCCO ZINC000622273898 370813982 /nfs/dbraw/zinc/81/39/82/370813982.db2.gz KYHMFRLRIOHDIL-UHFFFAOYSA-N -1 3 213.208 0.182 20 0 BCADHM CC[C@H](CN1C[C@H](OC)C[C@@H]1C(=O)[O-])OC ZINC000575412455 365314374 /nfs/dbraw/zinc/31/43/74/365314374.db2.gz AEPJNKHZALMCOP-OPRDCNLKSA-N -1 3 231.292 0.585 20 0 BCADHM CCOC(=O)[C@H]([N-]S(C)(=O)=O)[C@H](C)CC ZINC000173962175 365460003 /nfs/dbraw/zinc/46/00/03/365460003.db2.gz HABFQTUMWMFCHN-HTQZYQBOSA-N -1 3 237.321 0.513 20 0 BCADHM CN(Cc1ncccc1[O-])C(C)(C)C(N)=O ZINC000579849817 367048746 /nfs/dbraw/zinc/04/87/46/367048746.db2.gz CLGIMDXQLLOZBC-UHFFFAOYSA-N -1 3 223.276 0.483 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C1CCOCC1 ZINC000631775035 367374894 /nfs/dbraw/zinc/37/48/94/367374894.db2.gz KIDXJSXTGRUCJK-UHFFFAOYSA-N -1 3 246.288 0.440 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@H]2C(N)=O)n1 ZINC000581557254 367588115 /nfs/dbraw/zinc/58/81/15/367588115.db2.gz FXZXTGJQRGQVMH-SFYZADRCSA-N -1 3 249.270 0.546 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CCOCCN2)c1 ZINC000615486857 368063328 /nfs/dbraw/zinc/06/33/28/368063328.db2.gz AMQFLAVQTAXMEJ-UHFFFAOYSA-N -1 3 236.271 0.678 20 0 BCADHM O=C(Cc1cncc([O-])c1)NCC1=CCCOC1 ZINC000581954224 368019053 /nfs/dbraw/zinc/01/90/53/368019053.db2.gz OPCXKMKNPBGHCV-UHFFFAOYSA-N -1 3 248.282 0.793 20 0 BCADHM O=C([O-])c1cnccc1N[C@H]1CC[S@](=O)C1 ZINC000582005583 368128381 /nfs/dbraw/zinc/12/83/81/368128381.db2.gz APFDDFCDBYUCLB-GYKQLYQFSA-N -1 3 240.284 0.135 20 0 BCADHM Cc1nc(C)c(CC(=O)Nc2cn[nH]c2)c(=O)[n-]1 ZINC000031288286 368249992 /nfs/dbraw/zinc/24/99/92/368249992.db2.gz YFMLJBOMYZIQFE-UHFFFAOYSA-N -1 3 247.258 0.291 20 0 BCADHM COc1ccc([O-])c(C(=O)N2CCOC2)c1 ZINC000615752605 368254420 /nfs/dbraw/zinc/25/44/20/368254420.db2.gz IZNGYJAMBVOSHA-UHFFFAOYSA-N -1 3 223.228 0.831 20 0 BCADHM CC(C)[C@@H]1CN(CCOCC(=O)[O-])CCCO1 ZINC000566510255 326060875 /nfs/dbraw/zinc/06/08/75/326060875.db2.gz MXQSWPOEXKLEHA-NSHDSACASA-N -1 3 245.319 0.835 20 0 BCADHM CC[C@](C)(CO)NC(=O)c1ccc(O)cc1[O-] ZINC000080875605 368553050 /nfs/dbraw/zinc/55/30/50/368553050.db2.gz YVZVCKGZOWJGJJ-GFCCVEGCSA-N -1 3 239.271 0.989 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCC12COC2 ZINC000615923054 368673733 /nfs/dbraw/zinc/67/37/33/368673733.db2.gz BHCZBRWAGFJONO-UHFFFAOYSA-N -1 3 244.254 0.573 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCC12COC2 ZINC000615923054 368673736 /nfs/dbraw/zinc/67/37/36/368673736.db2.gz BHCZBRWAGFJONO-UHFFFAOYSA-N -1 3 244.254 0.573 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCC12COC2 ZINC000615923054 368673741 /nfs/dbraw/zinc/67/37/41/368673741.db2.gz BHCZBRWAGFJONO-UHFFFAOYSA-N -1 3 244.254 0.573 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CC2CCCC2)c1 ZINC000069115486 368746173 /nfs/dbraw/zinc/74/61/73/368746173.db2.gz LRKZRIMMCRPYFI-UHFFFAOYSA-N -1 3 243.332 0.889 20 0 BCADHM CC[C@@H]1CN([C@H](C(=O)[O-])C2CC2)CCO1 ZINC000084093508 368848870 /nfs/dbraw/zinc/84/88/70/368848870.db2.gz IHBGSAISUXDKDV-ZJUUUORDSA-N -1 3 213.277 0.960 20 0 BCADHM CN(Cc1cn(C)nn1)C(=O)c1ccccc1[O-] ZINC000618813879 369220358 /nfs/dbraw/zinc/22/03/58/369220358.db2.gz WXBMMYVLHVFQSN-UHFFFAOYSA-N -1 3 246.270 0.793 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1ccc(F)cn1 ZINC000164589915 203199367 /nfs/dbraw/zinc/19/93/67/203199367.db2.gz PDGRNXFHMRQIQL-UHFFFAOYSA-N -1 3 207.168 0.591 20 0 BCADHM O=C(N[C@@H]1CCc2ccc(O)cc21)c1c[n-]nn1 ZINC000618972290 369250983 /nfs/dbraw/zinc/25/09/83/369250983.db2.gz ORDGDKFBDGWHIT-SNVBAGLBSA-N -1 3 244.254 0.928 20 0 BCADHM O=C(N[C@@H]1CCc2ccc(O)cc21)c1cnn[n-]1 ZINC000618972290 369250984 /nfs/dbraw/zinc/25/09/84/369250984.db2.gz ORDGDKFBDGWHIT-SNVBAGLBSA-N -1 3 244.254 0.928 20 0 BCADHM O=C(N[C@@H]1CCc2ccc(O)cc21)c1cn[n-]n1 ZINC000618972290 369250988 /nfs/dbraw/zinc/25/09/88/369250988.db2.gz ORDGDKFBDGWHIT-SNVBAGLBSA-N -1 3 244.254 0.928 20 0 BCADHM CCNC(=O)C1CN(Cc2nc(C)ccc2[O-])C1 ZINC000459603153 203314475 /nfs/dbraw/zinc/31/44/75/203314475.db2.gz HBQGQERVOICGMX-UHFFFAOYSA-N -1 3 249.314 0.664 20 0 BCADHM Cc1ccc([O-])c(CN2CC(C)(CO)C2)n1 ZINC000459625714 203321697 /nfs/dbraw/zinc/32/16/97/203321697.db2.gz YCLBQWJZYLAFJC-UHFFFAOYSA-N -1 3 222.288 0.910 20 0 BCADHM Cc1nn2cccnc2c1C(=O)[N-]c1nc[nH]n1 ZINC000619561024 369480318 /nfs/dbraw/zinc/48/03/18/369480318.db2.gz RLDCWMZDKJQXHQ-UHFFFAOYSA-N -1 3 243.230 0.408 20 0 BCADHM O=C(C[C@H]1CCC(=O)NC1)Nc1ncccc1[O-] ZINC000622505295 370968425 /nfs/dbraw/zinc/96/84/25/370968425.db2.gz YFVQORACIUWEJX-MRVPVSSYSA-N -1 3 249.270 0.642 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@H]1CCCN1C ZINC000567987393 326291889 /nfs/dbraw/zinc/29/18/89/326291889.db2.gz BHVBPOQNJOSQFB-ZJUUUORDSA-N -1 3 242.319 0.554 20 0 BCADHM CC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H](C)N1 ZINC000620899325 370048355 /nfs/dbraw/zinc/04/83/55/370048355.db2.gz CMHMCNAJXPTMJB-VHSXEESVSA-N -1 3 249.314 1.000 20 0 BCADHM COC[C@H](C)NC(=O)c1cc(F)c[n-]c1=O ZINC000621258162 370190966 /nfs/dbraw/zinc/19/09/66/370190966.db2.gz ZZQZDHKERYCUTO-LURJTMIESA-N -1 3 228.223 0.691 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@H](O)C1 ZINC000621921119 370600489 /nfs/dbraw/zinc/60/04/89/370600489.db2.gz YQABQNRBAAHVFV-ZETCQYMHSA-N -1 3 226.207 0.133 20 0 BCADHM CC(C)[C@H](O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621923686 370602107 /nfs/dbraw/zinc/60/21/07/370602107.db2.gz UINWSHOWRWTITK-SECBINFHSA-N -1 3 242.250 0.673 20 0 BCADHM C[C@@H]1C[C@H](O)CN1C(=O)c1cc(F)c[n-]c1=O ZINC000621969048 370627533 /nfs/dbraw/zinc/62/75/33/370627533.db2.gz FDPSYUGLCFRSOT-SVRRBLITSA-N -1 3 240.234 0.522 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CC[C@@H](CO)C1 ZINC000621933370 370607987 /nfs/dbraw/zinc/60/79/87/370607987.db2.gz FCHNMPRHULONFB-SSDOTTSWSA-N -1 3 240.234 0.381 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(F)c[n-]c2=O)C[C@H]1O ZINC000621940022 370610011 /nfs/dbraw/zinc/61/00/11/370610011.db2.gz YVHHBAUZTCCZKI-HZGVNTEJSA-N -1 3 240.234 0.379 20 0 BCADHM CC1(CO)CN(C(=O)c2cccc([O-])c2)C1 ZINC000622649214 371035073 /nfs/dbraw/zinc/03/50/73/371035073.db2.gz HMRCMBXSZQTFSR-UHFFFAOYSA-N -1 3 221.256 0.847 20 0 BCADHM C[C@@H]1C[C@@H]1CNC(=O)c1cc(=O)[n-]cn1 ZINC000624107987 371309809 /nfs/dbraw/zinc/30/98/09/371309809.db2.gz DOBZIBLBBCMWJW-RNFRBKRXSA-N -1 3 207.233 0.568 20 0 BCADHM C[C@H](Cn1ccnc1)NC(=O)c1cc(=O)[n-]cn1 ZINC000624156232 371350729 /nfs/dbraw/zinc/35/07/29/371350729.db2.gz VPJZHLBPABEWHS-MRVPVSSYSA-N -1 3 247.258 0.197 20 0 BCADHM CC1(C)C[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000624524795 371530096 /nfs/dbraw/zinc/53/00/96/371530096.db2.gz CZGOIAIHKHZFOL-ZETCQYMHSA-N -1 3 207.233 0.711 20 0 BCADHM C[C@@H](CCO)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000627564283 371711872 /nfs/dbraw/zinc/71/18/72/371711872.db2.gz MGVVMFWWGARGTR-MRVPVSSYSA-N -1 3 239.275 0.321 20 0 BCADHM CCN(C(=O)c1cc(=O)[n-]cn1)[C@@H](C)CO ZINC000627541362 371694652 /nfs/dbraw/zinc/69/46/52/371694652.db2.gz YGFBARXPNVKYQO-ZETCQYMHSA-N -1 3 225.248 0.025 20 0 BCADHM CC[C@@H]1C[C@H]1CNC(=O)c1cc(=O)[n-]cn1 ZINC000627623180 371790060 /nfs/dbraw/zinc/79/00/60/371790060.db2.gz SBGCFVBHRQDCKZ-SFYZADRCSA-N -1 3 221.260 0.958 20 0 BCADHM O=C(N[C@@H]1CC12CCOCC2)c1cc(=O)[n-]cn1 ZINC000627637456 371799288 /nfs/dbraw/zinc/79/92/88/371799288.db2.gz GUSLRKXGQDOBFZ-SECBINFHSA-N -1 3 249.270 0.481 20 0 BCADHM O=C(NC[C@H](O)C1CCC1)c1cc(=O)[n-]cn1 ZINC000627687166 371844587 /nfs/dbraw/zinc/84/45/87/371844587.db2.gz WYULYGQINYQWFX-VIFPVBQESA-N -1 3 237.259 0.073 20 0 BCADHM COCC[C@@H](C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000627745337 371936210 /nfs/dbraw/zinc/93/62/10/371936210.db2.gz YUGQDHYHYLIPTP-MRVPVSSYSA-N -1 3 239.275 0.585 20 0 BCADHM COCC[C@H](C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000627745338 371936665 /nfs/dbraw/zinc/93/66/65/371936665.db2.gz YUGQDHYHYLIPTP-QMMMGPOBSA-N -1 3 239.275 0.585 20 0 BCADHM CC[C@@H]1OCC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627725707 371898398 /nfs/dbraw/zinc/89/83/98/371898398.db2.gz XMDQIJYBVZIDSS-APPZFPTMSA-N -1 3 237.259 0.480 20 0 BCADHM O=C(N[C@H]1CC12CC2)c1cc(=O)[n-]cn1 ZINC000627831383 372043418 /nfs/dbraw/zinc/04/34/18/372043418.db2.gz YZOFGCZSJKQWHC-ZETCQYMHSA-N -1 3 205.217 0.465 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)C1CC1 ZINC000631677306 372503602 /nfs/dbraw/zinc/50/36/02/372503602.db2.gz WDVKZOFXLNZZKT-RXMQYKEDSA-N -1 3 248.329 0.926 20 0 BCADHM C[C@@H](C[N-]S(=O)(=O)c1nncn1C)C1CC1 ZINC000631796383 372580417 /nfs/dbraw/zinc/58/04/17/372580417.db2.gz VQFMCEYWOVPUTE-ZETCQYMHSA-N -1 3 244.320 0.140 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]Cc1cocn1 ZINC000631923862 372695025 /nfs/dbraw/zinc/69/50/25/372695025.db2.gz HYJVZOOBFPMBDO-UHFFFAOYSA-N -1 3 243.244 0.450 20 0 BCADHM CC[C@H](CO)[N-]S(=O)(=O)c1conc1C ZINC000631999120 372718110 /nfs/dbraw/zinc/71/81/10/372718110.db2.gz VIRIJKCGCMLHHF-SSDOTTSWSA-N -1 3 234.277 0.032 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]CC1(C)CCC1 ZINC000632077409 372749925 /nfs/dbraw/zinc/74/99/25/372749925.db2.gz XRXZISBFUUTAQK-UHFFFAOYSA-N -1 3 244.320 0.284 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@@H](C)CCO ZINC000632048505 372737610 /nfs/dbraw/zinc/73/76/10/372737610.db2.gz MMDYPFQZIUQATP-ZETCQYMHSA-N -1 3 248.304 0.280 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CC(C)(C)CO ZINC000632125380 372770430 /nfs/dbraw/zinc/77/04/30/372770430.db2.gz ILKVLFCZLQRKRJ-UHFFFAOYSA-N -1 3 248.304 0.280 20 0 BCADHM O=C(C[C@@H]1CCCC(=O)N1)Nc1ncccc1[O-] ZINC000289066641 182016650 /nfs/dbraw/zinc/01/66/50/182016650.db2.gz JLDPCJVFGZJOAA-QMMMGPOBSA-N -1 3 249.270 0.785 20 0 BCADHM CCC1([N-]S(=O)(=O)c2nncn2C)CC1 ZINC000632390555 372913483 /nfs/dbraw/zinc/91/34/83/372913483.db2.gz DKGZCKHJKOXREP-UHFFFAOYSA-N -1 3 230.293 0.036 20 0 BCADHM O=C(C[C@H]1COC(=O)C1)Nc1ncccc1[O-] ZINC000132855640 182030760 /nfs/dbraw/zinc/03/07/60/182030760.db2.gz CTNFYSDDZLMOFZ-SSDOTTSWSA-N -1 3 236.227 0.679 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H]1C[C@@](C)(O)C1 ZINC000632470247 372962271 /nfs/dbraw/zinc/96/22/71/372962271.db2.gz YHKKGBOFGJFQAJ-OTSSQURYSA-N -1 3 246.288 0.175 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1nncn1C)C(C)(C)C ZINC000632513463 372982592 /nfs/dbraw/zinc/98/25/92/372982592.db2.gz CUVICUCPJMKKSS-SSDOTTSWSA-N -1 3 246.336 0.528 20 0 BCADHM CC(C)(F)C[N-]S(=O)(=O)Cc1ccon1 ZINC000632608693 373029486 /nfs/dbraw/zinc/02/94/86/373029486.db2.gz BELVCPIZFLDFFT-UHFFFAOYSA-N -1 3 236.268 0.842 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]CC(C)(C)F)cn1C ZINC000632609052 373031105 /nfs/dbraw/zinc/03/11/05/373031105.db2.gz RJPYMVKKTXDXNH-UHFFFAOYSA-N -1 3 249.311 0.755 20 0 BCADHM O=S(=O)([N-][C@H]1C[C@@H](CO)C1)c1cccs1 ZINC000632621046 373036862 /nfs/dbraw/zinc/03/68/62/373036862.db2.gz JTJYXVJYFUYNFH-OCAPTIKFSA-N -1 3 247.341 0.797 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H]1C[C@@H](CO)C1 ZINC000632620473 373036869 /nfs/dbraw/zinc/03/68/69/373036869.db2.gz NDWOISMAABYFGL-OCAPTIKFSA-N -1 3 246.288 0.032 20 0 BCADHM O=C(Cc1cncnc1)[N-]OCC1CC1 ZINC000293822605 182060148 /nfs/dbraw/zinc/06/01/48/182060148.db2.gz RTTOMUYCNHRWTD-UHFFFAOYSA-N -1 3 207.233 0.477 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1C[C@]12CCOC2 ZINC000329755750 182085908 /nfs/dbraw/zinc/08/59/08/182085908.db2.gz YFSGKNIJVMJLCA-PELKAZGASA-N -1 3 234.255 0.574 20 0 BCADHM O=C([N-]C1=NCCS1)C12CCCN1CCC2 ZINC000364765416 182093042 /nfs/dbraw/zinc/09/30/42/182093042.db2.gz VWOHVOOQDVCVHI-UHFFFAOYSA-N -1 3 239.344 0.834 20 0 BCADHM O=C([N-]C1=NCCS1)C1=COCCC1 ZINC000068512694 182093232 /nfs/dbraw/zinc/09/32/32/182093232.db2.gz YNNSRBSPERWVTA-UHFFFAOYSA-N -1 3 212.274 0.900 20 0 BCADHM CCOC(C)(C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000633132496 373300782 /nfs/dbraw/zinc/30/07/82/373300782.db2.gz BAVKSOHXYVHEEN-UHFFFAOYSA-N -1 3 238.251 0.206 20 0 BCADHM O=C(NCC1(CCO)CCCC1)c1c[n-]nn1 ZINC000268645056 182129882 /nfs/dbraw/zinc/12/98/82/182129882.db2.gz YJVDFDWVWKKOEY-UHFFFAOYSA-N -1 3 238.291 0.477 20 0 BCADHM O=C(NCC1(CCO)CCCC1)c1cnn[n-]1 ZINC000268645056 182129884 /nfs/dbraw/zinc/12/98/84/182129884.db2.gz YJVDFDWVWKKOEY-UHFFFAOYSA-N -1 3 238.291 0.477 20 0 BCADHM O=C(NCC1(CCO)CCCC1)c1cn[n-]n1 ZINC000268645056 182129886 /nfs/dbraw/zinc/12/98/86/182129886.db2.gz YJVDFDWVWKKOEY-UHFFFAOYSA-N -1 3 238.291 0.477 20 0 BCADHM O=C(NCC1CC1)C(=O)Nc1ccccc1[O-] ZINC000276579410 182137695 /nfs/dbraw/zinc/13/76/95/182137695.db2.gz XOXRXTABUXQWLW-UHFFFAOYSA-N -1 3 234.255 0.857 20 0 BCADHM CC1(C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)CCC1 ZINC000633521283 373583926 /nfs/dbraw/zinc/58/39/26/373583926.db2.gz OKJOEAFSTZOHEY-UHFFFAOYSA-N -1 3 237.259 0.694 20 0 BCADHM O=C(NCCCCCO)c1c([O-])cccc1O ZINC000193260964 182160523 /nfs/dbraw/zinc/16/05/23/182160523.db2.gz WPUPWLIBRUZDDQ-UHFFFAOYSA-N -1 3 239.271 0.990 20 0 BCADHM O=C(NCCCO)c1c[n-]nc1-c1ccccn1 ZINC000352616215 182170586 /nfs/dbraw/zinc/17/05/86/182170586.db2.gz NLBVRXZOAFPUMF-UHFFFAOYSA-N -1 3 246.270 0.584 20 0 BCADHM CCC[C@@H](CCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000633833502 373789348 /nfs/dbraw/zinc/78/93/48/373789348.db2.gz JYYQOGZZNGSHEG-QMMMGPOBSA-N -1 3 239.275 0.463 20 0 BCADHM O=C(NCC[C@@H]1CCCCO1)c1c[n-]nn1 ZINC000180410279 182199554 /nfs/dbraw/zinc/19/95/54/182199554.db2.gz ALCVCSRDPWMYEG-QMMMGPOBSA-N -1 3 224.264 0.494 20 0 BCADHM O=C(NCC[C@@H]1CCCCO1)c1cnn[n-]1 ZINC000180410279 182199556 /nfs/dbraw/zinc/19/95/56/182199556.db2.gz ALCVCSRDPWMYEG-QMMMGPOBSA-N -1 3 224.264 0.494 20 0 BCADHM O=C(NCC[C@@H]1CCCCO1)c1cn[n-]n1 ZINC000180410279 182199557 /nfs/dbraw/zinc/19/95/57/182199557.db2.gz ALCVCSRDPWMYEG-QMMMGPOBSA-N -1 3 224.264 0.494 20 0 BCADHM O=C([N-]CCn1ccnc1)C(F)(F)C(F)F ZINC000226605963 182215237 /nfs/dbraw/zinc/21/52/37/182215237.db2.gz GXTDECUGIXHTNK-UHFFFAOYSA-N -1 3 239.172 0.900 20 0 BCADHM O=C(NCCn1ccnc1)c1cncc([O-])c1 ZINC000111739321 182217319 /nfs/dbraw/zinc/21/73/19/182217319.db2.gz SPHDXQCPFHEQOR-UHFFFAOYSA-N -1 3 232.243 0.414 20 0 BCADHM O=C(NC1COC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000634257676 374064882 /nfs/dbraw/zinc/06/48/82/374064882.db2.gz AXMFNNHTTDOGQY-UHFFFAOYSA-N -1 3 235.243 0.188 20 0 BCADHM O=C(NC1COC1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000634258751 374070710 /nfs/dbraw/zinc/07/07/10/374070710.db2.gz LHJTWSSQYIWNPS-UHFFFAOYSA-N -1 3 233.227 0.397 20 0 BCADHM O=C(NC[C@H]1CCOC1)c1ccc2n[n-]nc2c1 ZINC000041374185 182244241 /nfs/dbraw/zinc/24/42/41/182244241.db2.gz DIOHFMDKHBNIDB-MRVPVSSYSA-N -1 3 246.270 0.724 20 0 BCADHM CCNC(=O)CN(C)C(=O)c1ccccc1[O-] ZINC000042355845 374265904 /nfs/dbraw/zinc/26/59/04/374265904.db2.gz MCBPXMKSGPXZOO-UHFFFAOYSA-N -1 3 236.271 0.600 20 0 BCADHM O=C(NCc1noc2c1CCCC2)c1c[n-]nn1 ZINC000288124102 182275665 /nfs/dbraw/zinc/27/56/65/182275665.db2.gz IFRNFNMNSSIQHO-UHFFFAOYSA-N -1 3 247.258 0.602 20 0 BCADHM O=C(NCc1noc2c1CCCC2)c1cnn[n-]1 ZINC000288124102 182275667 /nfs/dbraw/zinc/27/56/67/182275667.db2.gz IFRNFNMNSSIQHO-UHFFFAOYSA-N -1 3 247.258 0.602 20 0 BCADHM O=C(NCc1noc2c1CCCC2)c1cn[n-]n1 ZINC000288124102 182275669 /nfs/dbraw/zinc/27/56/69/182275669.db2.gz IFRNFNMNSSIQHO-UHFFFAOYSA-N -1 3 247.258 0.602 20 0 BCADHM O=C([N-]N1CCCNC1=O)c1cc(C2CC2)[nH]n1 ZINC000273143359 182278104 /nfs/dbraw/zinc/27/81/04/182278104.db2.gz XKKCUMHPEDTETF-UHFFFAOYSA-N -1 3 249.274 0.347 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)c1cccnc1F ZINC000287745191 182282776 /nfs/dbraw/zinc/28/27/76/182282776.db2.gz HXPFPZWTPPXTHI-QMMMGPOBSA-N -1 3 240.234 0.919 20 0 BCADHM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1c[n-]nn1 ZINC000093631649 182321191 /nfs/dbraw/zinc/32/11/91/182321191.db2.gz JSXHUCDVFOXGQP-WDEREUQCSA-N -1 3 244.254 0.193 20 0 BCADHM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cnn[n-]1 ZINC000093631649 182321193 /nfs/dbraw/zinc/32/11/93/182321193.db2.gz JSXHUCDVFOXGQP-WDEREUQCSA-N -1 3 244.254 0.193 20 0 BCADHM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cn[n-]n1 ZINC000093631649 182321195 /nfs/dbraw/zinc/32/11/95/182321195.db2.gz JSXHUCDVFOXGQP-WDEREUQCSA-N -1 3 244.254 0.193 20 0 BCADHM O=C(N[C@H]1CCCOC1)c1ccc2n[n-]nc2c1 ZINC000170936176 182330880 /nfs/dbraw/zinc/33/08/80/182330880.db2.gz RDJUOEJHIHNAPL-VIFPVBQESA-N -1 3 246.270 0.867 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@@H]1CNCCO1 ZINC000070609674 182380333 /nfs/dbraw/zinc/38/03/33/182380333.db2.gz ICUSEFUBBNBMQB-JTQLQIEISA-N -1 3 222.244 0.319 20 0 BCADHM O=C(Nc1nnc(SCCO)[n-]1)C1CCC1 ZINC000120709027 182397535 /nfs/dbraw/zinc/39/75/35/182397535.db2.gz NFIJZTMNPGTECA-UHFFFAOYSA-N -1 3 242.304 0.628 20 0 BCADHM O=C(Nc1nc(SCCO)n[n-]1)C1CCC1 ZINC000120709027 182397537 /nfs/dbraw/zinc/39/75/37/182397537.db2.gz NFIJZTMNPGTECA-UHFFFAOYSA-N -1 3 242.304 0.628 20 0 BCADHM O=C(Nc1n[n-]c(SCCO)n1)C1CCC1 ZINC000120709027 182397539 /nfs/dbraw/zinc/39/75/39/182397539.db2.gz NFIJZTMNPGTECA-UHFFFAOYSA-N -1 3 242.304 0.628 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CCOC1 ZINC000049340943 182399359 /nfs/dbraw/zinc/39/93/59/182399359.db2.gz PZHJRZFQPOXFTJ-SSDOTTSWSA-N -1 3 208.217 0.762 20 0 BCADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1nc[nH]n1 ZINC000273561672 182396561 /nfs/dbraw/zinc/39/65/61/182396561.db2.gz FMWLHHRWBTWTLZ-UHFFFAOYSA-N -1 3 233.235 0.443 20 0 BCADHM O=S(=O)([N-]CCC1(O)CCC1)c1ccco1 ZINC000284101825 182895708 /nfs/dbraw/zinc/89/57/08/182895708.db2.gz WFLQTQLJJAETDV-UHFFFAOYSA-N -1 3 245.300 0.863 20 0 BCADHM O=c1[n-]c(C2CCN(CCCO)CC2)n[nH]1 ZINC000377582675 183053877 /nfs/dbraw/zinc/05/38/77/183053877.db2.gz JVEDHJBZJSYGML-UHFFFAOYSA-N -1 3 226.280 0.072 20 0 BCADHM OCCSc1n[n-]c(-c2ccccn2)n1 ZINC000117113010 183089915 /nfs/dbraw/zinc/08/99/15/183089915.db2.gz DZNFDPGCRWXUAP-UHFFFAOYSA-N -1 3 222.273 0.951 20 0 BCADHM OC[C@H](CN=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000356956483 183137097 /nfs/dbraw/zinc/13/70/97/183137097.db2.gz ZQICZQRBWHBKBD-QMMMGPOBSA-N -1 3 233.275 0.157 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)C1(N)CCCC1 ZINC000044624823 169096509 /nfs/dbraw/zinc/09/65/09/169096509.db2.gz XEUNYZKFONJQAI-UHFFFAOYSA-N -1 3 228.292 0.581 20 0 BCADHM CCCN(Cc1nc(=O)n(C)[n-]1)CC1CC1 ZINC000353483392 169180712 /nfs/dbraw/zinc/18/07/12/169180712.db2.gz WNMAYAHOBALUBI-UHFFFAOYSA-N -1 3 224.308 0.730 20 0 BCADHM CCCOCC(=O)[N-]c1nncn1CC ZINC000285570744 169308574 /nfs/dbraw/zinc/30/85/74/169308574.db2.gz AGWJIJGXODFLPD-UHFFFAOYSA-N -1 3 212.253 0.663 20 0 BCADHM CCCS(=O)(=O)[N-]C1(C(=O)OC)CCC1 ZINC000119277856 169331915 /nfs/dbraw/zinc/33/19/15/169331915.db2.gz CSVJBZISDMLUHU-UHFFFAOYSA-N -1 3 235.305 0.412 20 0 BCADHM Cc1n[nH]cc1CCCNC(=O)c1c[n-]nn1 ZINC000112478863 383928313 /nfs/dbraw/zinc/92/83/13/383928313.db2.gz DHQKWCDVUHIJMW-UHFFFAOYSA-N -1 3 234.263 0.199 20 0 BCADHM Cc1n[nH]cc1CCCNC(=O)c1cnn[n-]1 ZINC000112478863 383928322 /nfs/dbraw/zinc/92/83/22/383928322.db2.gz DHQKWCDVUHIJMW-UHFFFAOYSA-N -1 3 234.263 0.199 20 0 BCADHM Cc1n[nH]cc1CCCNC(=O)c1cn[n-]n1 ZINC000112478863 383928334 /nfs/dbraw/zinc/92/83/34/383928334.db2.gz DHQKWCDVUHIJMW-UHFFFAOYSA-N -1 3 234.263 0.199 20 0 BCADHM CS(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1 ZINC000070245796 383897699 /nfs/dbraw/zinc/89/76/99/383897699.db2.gz VIRSMOYTAOJNDE-UHFFFAOYSA-N -1 3 249.313 0.462 20 0 BCADHM COCCN(CCO)Cc1ncccc1[O-] ZINC000558400748 383984373 /nfs/dbraw/zinc/98/43/73/383984373.db2.gz YWKOFKYZFCOSOB-UHFFFAOYSA-N -1 3 226.276 0.228 20 0 BCADHM CCCN(C)CC(=O)N[C@@H](CC)C(=O)[O-] ZINC000647255158 384018038 /nfs/dbraw/zinc/01/80/38/384018038.db2.gz JFMLBONAKQSKQC-QMMMGPOBSA-N -1 3 216.281 0.308 20 0 BCADHM CC(C)[C@](C)(NCc1ncccc1[O-])C(N)=O ZINC000569469139 384089052 /nfs/dbraw/zinc/08/90/52/384089052.db2.gz NUQLSVVHSRKAEZ-LBPRGKRZSA-N -1 3 237.303 0.777 20 0 BCADHM CN1C(=O)C[C@H]([N-]c2nc3ccccc3o2)C1=O ZINC000115263646 384074833 /nfs/dbraw/zinc/07/48/33/384074833.db2.gz XAHJITZNACRXEC-QMMMGPOBSA-N -1 3 245.238 0.997 20 0 BCADHM Cn1cc(C(=O)Nc2ccc([O-])cc2F)nn1 ZINC000310271628 384111516 /nfs/dbraw/zinc/11/15/16/384111516.db2.gz TUMKVIZDKGGJOF-UHFFFAOYSA-N -1 3 236.206 0.912 20 0 BCADHM COC[C@@H](O)CNC(=O)c1cccc([O-])c1 ZINC000070589621 384121698 /nfs/dbraw/zinc/12/16/98/384121698.db2.gz MITTZOFCZINGGX-JTQLQIEISA-N -1 3 225.244 0.129 20 0 BCADHM CCc1cc(NC(=O)c2cnn[n-]2)n(C)n1 ZINC000116218865 384122051 /nfs/dbraw/zinc/12/20/51/384122051.db2.gz KAIARZPVEHTFPI-UHFFFAOYSA-N -1 3 220.236 0.353 20 0 BCADHM CCc1cc(NC(=O)c2c[n-]nn2)n(C)n1 ZINC000116218865 384122059 /nfs/dbraw/zinc/12/20/59/384122059.db2.gz KAIARZPVEHTFPI-UHFFFAOYSA-N -1 3 220.236 0.353 20 0 BCADHM CCc1cc(NC(=O)c2cn[n-]n2)n(C)n1 ZINC000116218865 384122066 /nfs/dbraw/zinc/12/20/66/384122066.db2.gz KAIARZPVEHTFPI-UHFFFAOYSA-N -1 3 220.236 0.353 20 0 BCADHM C[C@H](CO)CNC(=O)c1c([O-])cccc1O ZINC000092125433 384147740 /nfs/dbraw/zinc/14/77/40/384147740.db2.gz ZOGCBUVUEJWJTJ-ZETCQYMHSA-N -1 3 225.244 0.456 20 0 BCADHM O=C(NCCCO)c1c([O-])cccc1O ZINC000092107823 384143500 /nfs/dbraw/zinc/14/35/00/384143500.db2.gz PHNXWEZPWHIHEN-UHFFFAOYSA-N -1 3 211.217 0.210 20 0 BCADHM C[C@H](CO)NC(=O)c1c([O-])cccc1O ZINC000092107847 384145678 /nfs/dbraw/zinc/14/56/78/384145678.db2.gz CRAKTKUGPAYAGZ-ZCFIWIBFSA-N -1 3 211.217 0.208 20 0 BCADHM CC(C)[C@@H](CO)NC(=O)c1ccc(O)cc1[O-] ZINC000092404233 384178380 /nfs/dbraw/zinc/17/83/80/384178380.db2.gz TUSWUZDETBICPA-SNVBAGLBSA-N -1 3 239.271 0.845 20 0 BCADHM CCCN(Cc1n[nH]c(=O)[n-]1)CC1CC1 ZINC000092616871 384185897 /nfs/dbraw/zinc/18/58/97/384185897.db2.gz NVWJMIZWNMTNNH-UHFFFAOYSA-N -1 3 210.281 0.720 20 0 BCADHM CC(C)(O)CNC(=O)c1ccccc1[O-] ZINC000083466886 384305089 /nfs/dbraw/zinc/30/50/89/384305089.db2.gz LEEHCNLXRCSNQY-UHFFFAOYSA-N -1 3 209.245 0.893 20 0 BCADHM C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)[O-] ZINC000332421052 384311726 /nfs/dbraw/zinc/31/17/26/384311726.db2.gz SFFCUUVVEMUYCR-RKDXNWHRSA-N -1 3 226.276 0.156 20 0 BCADHM C[C@@H](CCO)NC(=O)c1ccc(O)cc1[O-] ZINC000133884766 384317038 /nfs/dbraw/zinc/31/70/38/384317038.db2.gz HVOPKDUNWYMTHN-ZETCQYMHSA-N -1 3 225.244 0.599 20 0 BCADHM CCO[N-]C(=O)[C@H](N)Cc1ccccc1 ZINC000083116654 384282419 /nfs/dbraw/zinc/28/24/19/384282419.db2.gz DJLMUQPWGDQDQA-SNVBAGLBSA-N -1 3 208.261 0.624 20 0 BCADHM C[C@H](CO)CNC(=O)c1ccccc1[O-] ZINC000083216907 384288913 /nfs/dbraw/zinc/28/89/13/384288913.db2.gz PNKSLRIDVWURBA-QMMMGPOBSA-N -1 3 209.245 0.750 20 0 BCADHM C[C@@H](O)CCCNC(=O)c1ccc(O)cc1[O-] ZINC000228649200 384301010 /nfs/dbraw/zinc/30/10/10/384301010.db2.gz MODMLBRFRYHYFC-MRVPVSSYSA-N -1 3 239.271 0.989 20 0 BCADHM Cc1nccc(N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC000095334864 384368177 /nfs/dbraw/zinc/36/81/77/384368177.db2.gz JHAWCVKFNRYPFF-ZETCQYMHSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1nccc(N(C)C[C@H](C)c2nn[n-]n2)n1 ZINC000095334864 384368182 /nfs/dbraw/zinc/36/81/82/384368182.db2.gz JHAWCVKFNRYPFF-ZETCQYMHSA-N -1 3 233.279 0.538 20 0 BCADHM C[C@H](C(=O)Nc1ccccc1[O-])S(C)(=O)=O ZINC000045877230 384411592 /nfs/dbraw/zinc/41/15/92/384411592.db2.gz POXISYHMQRSXTC-SSDOTTSWSA-N -1 3 243.284 0.764 20 0 BCADHM O=S(=O)(Cc1ccon1)[N-]C[C@@H]1CCCO1 ZINC000078050773 384429249 /nfs/dbraw/zinc/42/92/49/384429249.db2.gz JNUBAEDADKTCQA-VIFPVBQESA-N -1 3 246.288 0.273 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCOC1 ZINC000082350716 384488169 /nfs/dbraw/zinc/48/81/69/384488169.db2.gz RPMDLWJSIFDFAG-QMMMGPOBSA-N -1 3 246.288 0.359 20 0 BCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000561092023 384492351 /nfs/dbraw/zinc/49/23/51/384492351.db2.gz PYPNLUFLSPLOCQ-HTQZYQBOSA-N -1 3 234.255 0.842 20 0 BCADHM CC[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(C)C ZINC000049450719 384536047 /nfs/dbraw/zinc/53/60/47/384536047.db2.gz AKZZZKACDOFSLH-SFYZADRCSA-N -1 3 241.291 0.135 20 0 BCADHM CS(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000368265874 384521465 /nfs/dbraw/zinc/52/14/65/384521465.db2.gz VMYZSGKFLAFJSK-SSDOTTSWSA-N -1 3 249.238 0.948 20 0 BCADHM Cc1ccc([O-])c(CN2CCNC(=O)[C@H]2C)n1 ZINC000123417446 384558009 /nfs/dbraw/zinc/55/80/09/384558009.db2.gz YRYXFZZMEXZDJZ-SECBINFHSA-N -1 3 235.287 0.416 20 0 BCADHM Cc1ccc(C(=O)N[C@@H]2CCN(C)C2=O)c([O-])c1 ZINC000172545491 384605796 /nfs/dbraw/zinc/60/57/96/384605796.db2.gz HALOZGUSWHNHSS-SNVBAGLBSA-N -1 3 248.282 0.661 20 0 BCADHM NC(=O)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000162237325 384592992 /nfs/dbraw/zinc/59/29/92/384592992.db2.gz HEYALQFYKFGYIS-UHFFFAOYSA-N -1 3 242.662 0.190 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CCCOCC2)n1 ZINC000363929411 384670247 /nfs/dbraw/zinc/67/02/47/384670247.db2.gz BMPSQNQNIPHBDU-UHFFFAOYSA-N -1 3 237.303 0.967 20 0 BCADHM COC[C@@H](CCO)[N-]c1nnc(C(F)F)o1 ZINC000309841114 384658759 /nfs/dbraw/zinc/65/87/59/384658759.db2.gz PGBCAONCOYXPNR-RXMQYKEDSA-N -1 3 237.206 0.817 20 0 BCADHM O=S(=O)([N-]CCF)c1ccccn1 ZINC000308395188 384659863 /nfs/dbraw/zinc/65/98/63/384659863.db2.gz CXJAQKXCWXIENL-UHFFFAOYSA-N -1 3 204.226 0.329 20 0 BCADHM CC1(C)C(NC(=O)c2c[n-]nn2)C1(C)C ZINC000086560065 384661059 /nfs/dbraw/zinc/66/10/59/384661059.db2.gz MLLVFLHKHBXCHD-UHFFFAOYSA-N -1 3 208.265 0.969 20 0 BCADHM CC1(C)C(NC(=O)c2cnn[n-]2)C1(C)C ZINC000086560065 384661070 /nfs/dbraw/zinc/66/10/70/384661070.db2.gz MLLVFLHKHBXCHD-UHFFFAOYSA-N -1 3 208.265 0.969 20 0 BCADHM CC1(C)C(NC(=O)c2cn[n-]n2)C1(C)C ZINC000086560065 384661076 /nfs/dbraw/zinc/66/10/76/384661076.db2.gz MLLVFLHKHBXCHD-UHFFFAOYSA-N -1 3 208.265 0.969 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC[C@@H](CO)C1 ZINC000051884062 384697457 /nfs/dbraw/zinc/69/74/57/384697457.db2.gz ZVOONPUSOYAMTM-SECBINFHSA-N -1 3 221.256 0.847 20 0 BCADHM CCOCCS(=O)(=O)c1ncc(CC)[n-]1 ZINC000125679260 384742966 /nfs/dbraw/zinc/74/29/66/384742966.db2.gz WNDZJJMPZGWKFH-UHFFFAOYSA-N -1 3 232.305 0.782 20 0 BCADHM CCOCCS(=O)(=O)c1nc(CC)c[n-]1 ZINC000125679260 384742974 /nfs/dbraw/zinc/74/29/74/384742974.db2.gz WNDZJJMPZGWKFH-UHFFFAOYSA-N -1 3 232.305 0.782 20 0 BCADHM CC=CC=CC(=O)Nc1nnc(OC)[n-]1 ZINC000255519472 384753039 /nfs/dbraw/zinc/75/30/39/384753039.db2.gz ITMLHCHUYIXRJC-ICWBMWKASA-N -1 3 208.221 0.884 20 0 BCADHM CC=CC=CC(=O)Nc1n[n-]c(OC)n1 ZINC000255519472 384753044 /nfs/dbraw/zinc/75/30/44/384753044.db2.gz ITMLHCHUYIXRJC-ICWBMWKASA-N -1 3 208.221 0.884 20 0 BCADHM CC=CC=CC(=O)Nc1nc(OC)n[n-]1 ZINC000255519472 384753051 /nfs/dbraw/zinc/75/30/51/384753051.db2.gz ITMLHCHUYIXRJC-ICWBMWKASA-N -1 3 208.221 0.884 20 0 BCADHM C[C@@]1(CNC(=O)c2c[n-]nn2)CCCO1 ZINC000087263259 384755868 /nfs/dbraw/zinc/75/58/68/384755868.db2.gz WHDLHHGMSAJKIX-VIFPVBQESA-N -1 3 210.237 0.104 20 0 BCADHM C[C@@]1(CNC(=O)c2cnn[n-]2)CCCO1 ZINC000087263259 384755873 /nfs/dbraw/zinc/75/58/73/384755873.db2.gz WHDLHHGMSAJKIX-VIFPVBQESA-N -1 3 210.237 0.104 20 0 BCADHM C[C@@]1(CNC(=O)c2cn[n-]n2)CCCO1 ZINC000087263259 384755880 /nfs/dbraw/zinc/75/58/80/384755880.db2.gz WHDLHHGMSAJKIX-VIFPVBQESA-N -1 3 210.237 0.104 20 0 BCADHM CC[C@@H](NC(=O)c1cccc([O-])c1)C(N)=O ZINC000294328375 384759275 /nfs/dbraw/zinc/75/92/75/384759275.db2.gz XMONMCWCUVTEMK-SECBINFHSA-N -1 3 222.244 0.386 20 0 BCADHM COC[C@@H](NC(=O)c1c[n-]nn1)c1ccco1 ZINC000174625717 384820332 /nfs/dbraw/zinc/82/03/32/384820332.db2.gz CAFKSZUOXULVTQ-MRVPVSSYSA-N -1 3 236.231 0.515 20 0 BCADHM COC[C@@H](NC(=O)c1cnn[n-]1)c1ccco1 ZINC000174625717 384820341 /nfs/dbraw/zinc/82/03/41/384820341.db2.gz CAFKSZUOXULVTQ-MRVPVSSYSA-N -1 3 236.231 0.515 20 0 BCADHM COC[C@@H](NC(=O)c1cn[n-]n1)c1ccco1 ZINC000174625717 384820348 /nfs/dbraw/zinc/82/03/48/384820348.db2.gz CAFKSZUOXULVTQ-MRVPVSSYSA-N -1 3 236.231 0.515 20 0 BCADHM C[C@@H](Cn1ccnc1)NC(=O)c1cncc([O-])c1 ZINC000104416631 384828917 /nfs/dbraw/zinc/82/89/17/384828917.db2.gz LKLQOQPJELBGSU-VIFPVBQESA-N -1 3 246.270 0.802 20 0 BCADHM CC(C)N(C)C(=O)c1csc(=O)[n-]1 ZINC000306215481 384807492 /nfs/dbraw/zinc/80/74/92/384807492.db2.gz HXVWIFQQNUYNSJ-UHFFFAOYSA-N -1 3 200.263 0.917 20 0 BCADHM COC[C@H](CCO)[N-]c1nnc(C(F)F)o1 ZINC000309841115 384867480 /nfs/dbraw/zinc/86/74/80/384867480.db2.gz PGBCAONCOYXPNR-YFKPBYRVSA-N -1 3 237.206 0.817 20 0 BCADHM CCOC(=O)N1CCCN([C@H](C)C(=O)[O-])CC1 ZINC000497282307 384938188 /nfs/dbraw/zinc/93/81/88/384938188.db2.gz ZGKNRFHDAJSPJX-SECBINFHSA-N -1 3 244.291 0.624 20 0 BCADHM CCOCCS(=O)(=O)c1nnc(CC)[n-]1 ZINC000086170525 384994174 /nfs/dbraw/zinc/99/41/74/384994174.db2.gz XNEPUAGLSMMNEK-UHFFFAOYSA-N -1 3 233.293 0.177 20 0 BCADHM CCOCCS(=O)(=O)c1nc(CC)n[n-]1 ZINC000086170525 384994177 /nfs/dbraw/zinc/99/41/77/384994177.db2.gz XNEPUAGLSMMNEK-UHFFFAOYSA-N -1 3 233.293 0.177 20 0 BCADHM O=C(N[C@H]1CCOC1)c1ccccc1[O-] ZINC000087787260 385002366 /nfs/dbraw/zinc/00/23/66/385002366.db2.gz UHPYZUTYMQYENW-QMMMGPOBSA-N -1 3 207.229 0.911 20 0 BCADHM CN1CCC([N-]S(=O)(=O)c2ccco2)CC1 ZINC000188571467 385066528 /nfs/dbraw/zinc/06/65/28/385066528.db2.gz YLLGCWPIIGJZOY-UHFFFAOYSA-N -1 3 244.316 0.652 20 0 BCADHM C[C@H](CO)C[N-]S(=O)(=O)c1ccco1 ZINC000188708442 385084617 /nfs/dbraw/zinc/08/46/17/385084617.db2.gz LYZXDWFUVRVPTN-ZETCQYMHSA-N -1 3 219.262 0.186 20 0 BCADHM CN1CCC[C@H](Sc2n[n-]c(CO)n2)C1=O ZINC000557658793 385076935 /nfs/dbraw/zinc/07/69/35/385076935.db2.gz PYSRENXCLOERDJ-LURJTMIESA-N -1 3 242.304 0.010 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)CC1CCC1 ZINC000332079870 385081355 /nfs/dbraw/zinc/08/13/55/385081355.db2.gz ZEOLGNADFHCCED-SSDOTTSWSA-N -1 3 235.305 0.267 20 0 BCADHM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000188712737 385083384 /nfs/dbraw/zinc/08/33/84/385083384.db2.gz ROGRXVFKBONXBM-RKDXNWHRSA-N -1 3 247.316 0.965 20 0 BCADHM Cc1cnc(C(=O)N2CC[C@@H](N(C)C)C2)c([O-])c1 ZINC000408368828 385045642 /nfs/dbraw/zinc/04/56/42/385045642.db2.gz NWAMHBUNNSWNCS-SNVBAGLBSA-N -1 3 249.314 0.872 20 0 BCADHM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccco1 ZINC000188766393 385087068 /nfs/dbraw/zinc/08/70/68/385087068.db2.gz BSJIMDBCHKBKFI-SSDOTTSWSA-N -1 3 247.272 0.367 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)OC ZINC000188753659 385087715 /nfs/dbraw/zinc/08/77/15/385087715.db2.gz PLULCVYNDHHBOB-ZETCQYMHSA-N -1 3 247.272 0.510 20 0 BCADHM CC[C@@H](CCO)C[N-]S(=O)(=O)c1ccco1 ZINC000188755169 385088220 /nfs/dbraw/zinc/08/82/20/385088220.db2.gz ZOYUMEOEBAOUPY-VIFPVBQESA-N -1 3 247.316 0.967 20 0 BCADHM COC(=O)c1coc(CO[N-]C(C)=O)c1 ZINC000176861043 385155152 /nfs/dbraw/zinc/15/51/52/385155152.db2.gz NPYYAYUFWPAXKZ-UHFFFAOYSA-N -1 3 213.189 0.634 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]C1=NCCS1 ZINC000176900911 385156279 /nfs/dbraw/zinc/15/62/79/385156279.db2.gz ZIVZISFEJXPRNV-LURJTMIESA-N -1 3 230.289 0.405 20 0 BCADHM CO[C@H](C)CNC(=O)c1ccc(O)cc1[O-] ZINC000189630596 385174029 /nfs/dbraw/zinc/17/40/29/385174029.db2.gz XAVZBJCHCZINNS-SSDOTTSWSA-N -1 3 225.244 0.863 20 0 BCADHM C[C@@]1(O)CCN(C(=O)c2ccccc2[O-])C1 ZINC000177416166 385236315 /nfs/dbraw/zinc/23/63/15/385236315.db2.gz IZKTVKYVWKXOGX-GFCCVEGCSA-N -1 3 221.256 0.989 20 0 BCADHM C[C@@H](CCO)[N-]S(=O)(=O)c1cccs1 ZINC000120318397 385308680 /nfs/dbraw/zinc/30/86/80/385308680.db2.gz ZMQZFPOHCDUAGT-ZETCQYMHSA-N -1 3 235.330 0.797 20 0 BCADHM CC[C@@H](C)[C@H](C)NCc1nn(C)c(=O)[n-]1 ZINC000308941350 385298513 /nfs/dbraw/zinc/29/85/13/385298513.db2.gz MJHSAZZJCCTILG-SFYZADRCSA-N -1 3 212.297 0.633 20 0 BCADHM CC(=O)[N-]OCC(=O)NCc1ccc(F)cc1 ZINC000178194846 385344184 /nfs/dbraw/zinc/34/41/84/385344184.db2.gz WYVNKYQOEZMZJB-UHFFFAOYSA-N -1 3 240.234 0.510 20 0 BCADHM CN(C)CCNC(=O)c1ccc([O-])cc1F ZINC000154751738 385353870 /nfs/dbraw/zinc/35/38/70/385353870.db2.gz RXFRHJNBJUYKKO-UHFFFAOYSA-N -1 3 226.251 0.823 20 0 BCADHM COC(=O)CN(C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192529171 385361477 /nfs/dbraw/zinc/36/14/77/385361477.db2.gz GRAKHOCOUHAVAY-QMMMGPOBSA-N -1 3 239.275 0.656 20 0 BCADHM O=C(/C=C\c1ccncc1)[N-]O[C@@H]1CCOC1 ZINC000492426452 385376589 /nfs/dbraw/zinc/37/65/89/385376589.db2.gz NFUDNESZQPWNLI-RFMOXSJOSA-N -1 3 234.255 0.932 20 0 BCADHM COCCN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000408007701 385383940 /nfs/dbraw/zinc/38/39/40/385383940.db2.gz FAEHUZKTGXJMCO-MRVPVSSYSA-N -1 3 227.264 0.601 20 0 BCADHM O=C(CNC(=O)c1ccccc1[O-])NCC1CC1 ZINC000180875259 385396605 /nfs/dbraw/zinc/39/66/05/385396605.db2.gz QUIWMCFWPDEMGW-UHFFFAOYSA-N -1 3 248.282 0.648 20 0 BCADHM Cc1cccc(S(=O)(=O)[N-]C[C@@H](C)O)c1F ZINC000181304832 385407109 /nfs/dbraw/zinc/40/71/09/385407109.db2.gz JQFWEGSSCLZUFT-MRVPVSSYSA-N -1 3 247.291 0.793 20 0 BCADHM COC(=O)CCCC(=O)[N-]C1=NCCS1 ZINC000194437660 385435937 /nfs/dbraw/zinc/43/59/37/385435937.db2.gz BPAHYYULPFXJJL-UHFFFAOYSA-N -1 3 230.289 0.549 20 0 BCADHM Cc1cc(C)[n-]c(=NNS(=O)(=O)C2CC2)n1 ZINC000171328699 385477026 /nfs/dbraw/zinc/47/70/26/385477026.db2.gz GDMURRVVNLWJDE-UHFFFAOYSA-N -1 3 242.304 0.502 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1cnn(C)c1C ZINC000492911216 385463359 /nfs/dbraw/zinc/46/33/59/385463359.db2.gz LGJHAGFIYRFEOJ-SNAWJCMRSA-N -1 3 239.275 0.436 20 0 BCADHM C[C@@]1(NC(=O)c2ccc3n[n-]nc3c2)CCOC1 ZINC000157206264 385492799 /nfs/dbraw/zinc/49/27/99/385492799.db2.gz QMQGPOTYCNQLEN-GFCCVEGCSA-N -1 3 246.270 0.867 20 0 BCADHM Cc1cc(C(=O)NC[C@@H](O)C(C)C)[n-]c(=O)n1 ZINC000157294781 385496886 /nfs/dbraw/zinc/49/68/86/385496886.db2.gz SSVCFEYJNQZUBZ-SECBINFHSA-N -1 3 239.275 0.237 20 0 BCADHM CC(=O)[N-]O[C@@H](C)C(=O)NCC(F)(F)F ZINC000180805942 385548279 /nfs/dbraw/zinc/54/82/79/385548279.db2.gz LUDYCWJCCKOHDB-BYPYZUCNSA-N -1 3 228.170 0.121 20 0 BCADHM C[C@]1(O)CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000180858765 385550965 /nfs/dbraw/zinc/55/09/65/385550965.db2.gz UZIBEUDLIBOUNK-LBPRGKRZSA-N -1 3 237.255 0.695 20 0 BCADHM CCON=C([O-])Nc1cc(N(C)C)ncn1 ZINC000281140177 385638082 /nfs/dbraw/zinc/63/80/82/385638082.db2.gz ZEBVGZOUGDPZRW-UHFFFAOYSA-N -1 3 225.252 0.616 20 0 BCADHM CCO[N-]C(=O)Nc1cc(N(C)C)ncn1 ZINC000281140177 385638085 /nfs/dbraw/zinc/63/80/85/385638085.db2.gz ZEBVGZOUGDPZRW-UHFFFAOYSA-N -1 3 225.252 0.616 20 0 BCADHM CO[C@@H](C)c1nc(=NCCN(C)C)s[n-]1 ZINC000336682238 385642490 /nfs/dbraw/zinc/64/24/90/385642490.db2.gz JIDGSEUBXVIKDY-ZETCQYMHSA-N -1 3 230.337 0.641 20 0 BCADHM CO[C@@H](C)c1nsc(=NCCN(C)C)[n-]1 ZINC000336682238 385642496 /nfs/dbraw/zinc/64/24/96/385642496.db2.gz JIDGSEUBXVIKDY-ZETCQYMHSA-N -1 3 230.337 0.641 20 0 BCADHM C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1cncc([O-])c1 ZINC000340005083 385661746 /nfs/dbraw/zinc/66/17/46/385661746.db2.gz JAOQNXZHNRHGKC-VHSXEESVSA-N -1 3 249.314 0.952 20 0 BCADHM C[C@@H]1[C@H](C)N(C(=O)c2cncc([O-])c2)CCN1C ZINC000340005086 385662278 /nfs/dbraw/zinc/66/22/78/385662278.db2.gz JAOQNXZHNRHGKC-ZJUUUORDSA-N -1 3 249.314 0.952 20 0 BCADHM Cn1cc(CNCc2ncccc2[O-])cn1 ZINC000309534248 385672211 /nfs/dbraw/zinc/67/22/11/385672211.db2.gz WQRJQCCRMXMVIB-UHFFFAOYSA-N -1 3 218.260 0.811 20 0 BCADHM CC[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000307287191 385675463 /nfs/dbraw/zinc/67/54/63/385675463.db2.gz TZBPJAWFNQHGEW-RXMQYKEDSA-N -1 3 200.263 0.965 20 0 BCADHM C[C@@]1(O)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000182559203 385682013 /nfs/dbraw/zinc/68/20/13/385682013.db2.gz CMOOHFVRMWFALM-GFCCVEGCSA-N -1 3 221.256 0.989 20 0 BCADHM CCN(CC)CC(=O)Nc1ccncc1[O-] ZINC000337484262 385682228 /nfs/dbraw/zinc/68/22/28/385682228.db2.gz YDYRMJINMXYYEN-UHFFFAOYSA-N -1 3 223.276 0.489 20 0 BCADHM COc1cc(C(=O)N(C)CCCO)ccc1[O-] ZINC000281919575 385713973 /nfs/dbraw/zinc/71/39/73/385713973.db2.gz KOBQCCSYGCJQDT-UHFFFAOYSA-N -1 3 239.271 0.855 20 0 BCADHM CCC[C@@](C)(O)C(=O)Nc1nnc(OC)[n-]1 ZINC000183002431 385728480 /nfs/dbraw/zinc/72/84/80/385728480.db2.gz YKHFIQUPTXDUKX-SECBINFHSA-N -1 3 228.252 0.303 20 0 BCADHM CCC[C@@](C)(O)C(=O)Nc1n[n-]c(OC)n1 ZINC000183002431 385728486 /nfs/dbraw/zinc/72/84/86/385728486.db2.gz YKHFIQUPTXDUKX-SECBINFHSA-N -1 3 228.252 0.303 20 0 BCADHM CCC[C@@](C)(O)C(=O)Nc1nc(OC)n[n-]1 ZINC000183002431 385728493 /nfs/dbraw/zinc/72/84/93/385728493.db2.gz YKHFIQUPTXDUKX-SECBINFHSA-N -1 3 228.252 0.303 20 0 BCADHM Cc1nc(CN=c2ncnc3[nH][n-]cc2-3)no1 ZINC000337624110 385735242 /nfs/dbraw/zinc/73/52/42/385735242.db2.gz TWTKUKBYDGGKNT-UHFFFAOYSA-N -1 3 231.219 0.030 20 0 BCADHM CN(CCOCCO)C(=O)c1ccccc1[O-] ZINC000282263784 385748158 /nfs/dbraw/zinc/74/81/58/385748158.db2.gz WRYFYEZVSNTBDO-UHFFFAOYSA-N -1 3 239.271 0.473 20 0 BCADHM CC(=O)CCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000282586621 385772773 /nfs/dbraw/zinc/77/27/73/385772773.db2.gz VGQZVBKNQKOKND-UHFFFAOYSA-N -1 3 239.231 0.504 20 0 BCADHM CONC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270621250 385724253 /nfs/dbraw/zinc/72/42/53/385724253.db2.gz RUIUURKJTQNCAG-UHFFFAOYSA-N -1 3 227.216 0.701 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1cncs1 ZINC000493861182 533148070 /nfs/dbraw/zinc/14/80/70/533148070.db2.gz XCMCJCAHZQGCJW-NSCUHMNNSA-N -1 3 228.273 0.851 20 0 BCADHM C[C@@H](CC(N)=O)C(=O)Nc1cc(F)ccc1[O-] ZINC000283405172 385819180 /nfs/dbraw/zinc/81/91/80/385819180.db2.gz LGQMQNYCRMIBQY-LURJTMIESA-N -1 3 240.234 0.981 20 0 BCADHM COC(=O)NCC(=O)Nc1c(C)cccc1[O-] ZINC000271373033 385820650 /nfs/dbraw/zinc/82/06/50/385820650.db2.gz RTZRNVFPARGMQI-UHFFFAOYSA-N -1 3 238.243 0.995 20 0 BCADHM C[C@H]([N-]S(C)(=O)=O)c1nc(CC2CC2)no1 ZINC000340185473 385831971 /nfs/dbraw/zinc/83/19/71/385831971.db2.gz MQXZEECTMKIXLP-LURJTMIESA-N -1 3 245.304 0.632 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]c1ccncc1F ZINC000283846707 385837480 /nfs/dbraw/zinc/83/74/80/385837480.db2.gz ASGIGKFNTIGBAF-SSDOTTSWSA-N -1 3 248.279 0.997 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1ncc[nH]1 ZINC000493641738 533147093 /nfs/dbraw/zinc/14/70/93/533147093.db2.gz KHHPWPKIALPWDO-NSCUHMNNSA-N -1 3 211.221 0.117 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]c1cccnc1 ZINC000284175019 385856290 /nfs/dbraw/zinc/85/62/90/385856290.db2.gz TVIDQRUGTMTIDN-MRVPVSSYSA-N -1 3 230.289 0.858 20 0 BCADHM CN(CCc1ccncc1)Cc1nc(=O)[n-][nH]1 ZINC000272322817 385894275 /nfs/dbraw/zinc/89/42/75/385894275.db2.gz BEBVPOLTADMHFE-UHFFFAOYSA-N -1 3 233.275 0.168 20 0 BCADHM C[C@@H]1CCSCCN1Cc1nc(=O)n(C)[n-]1 ZINC000335034097 385923058 /nfs/dbraw/zinc/92/30/58/385923058.db2.gz PNSMEBMQKPNHSL-MRVPVSSYSA-N -1 3 242.348 0.436 20 0 BCADHM Cc1ccc([O-])c(CNC[C@@H]2COCCO2)n1 ZINC000112716711 385863140 /nfs/dbraw/zinc/86/31/40/385863140.db2.gz CRENVVDXTCGRGL-SNVBAGLBSA-N -1 3 238.287 0.601 20 0 BCADHM Cc1[n-][nH]c(=O)c1NC(=O)CN(C)C(C)C ZINC000647816770 385869353 /nfs/dbraw/zinc/86/93/53/385869353.db2.gz VAYSXDKTMUHNSJ-UHFFFAOYSA-N -1 3 226.280 0.702 20 0 BCADHM CCOCC(=O)NCc1cnc(C)[n-]c1=O ZINC000345092669 385994742 /nfs/dbraw/zinc/99/47/42/385994742.db2.gz KFAGSHYBOHYBNU-UHFFFAOYSA-N -1 3 225.248 0.143 20 0 BCADHM CCC[C@](C)(O)C(=O)[N-]c1nncn1CC ZINC000286014994 385985591 /nfs/dbraw/zinc/98/55/91/385985591.db2.gz ZEUOTJLJKYUOAF-JTQLQIEISA-N -1 3 226.280 0.788 20 0 BCADHM CCO[C@H](C)C(=O)[N-]c1nncn1CC ZINC000285570988 385943335 /nfs/dbraw/zinc/94/33/35/385943335.db2.gz AIWUMDVVUGCNFI-SSDOTTSWSA-N -1 3 212.253 0.662 20 0 BCADHM CO[C@H]1CC[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000189155124 385957714 /nfs/dbraw/zinc/95/77/14/385957714.db2.gz OPLQZBDXBHCLDX-BQBZGAKWSA-N -1 3 210.237 0.102 20 0 BCADHM CO[C@H]1CC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000189155124 385957721 /nfs/dbraw/zinc/95/77/21/385957721.db2.gz OPLQZBDXBHCLDX-BQBZGAKWSA-N -1 3 210.237 0.102 20 0 BCADHM CO[C@H]1CC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000189155124 385957724 /nfs/dbraw/zinc/95/77/24/385957724.db2.gz OPLQZBDXBHCLDX-BQBZGAKWSA-N -1 3 210.237 0.102 20 0 BCADHM Cc1ncc(CNC(=O)c2cnccn2)c(=O)[n-]1 ZINC000345102534 385997571 /nfs/dbraw/zinc/99/75/71/385997571.db2.gz REOHAAWYKVTKAC-UHFFFAOYSA-N -1 3 245.242 0.211 20 0 BCADHM CO[C@@H](C)C(=O)NCc1cnc(C)[n-]c1=O ZINC000345104358 385997976 /nfs/dbraw/zinc/99/79/76/385997976.db2.gz IJVQAXUEWKDPMJ-LURJTMIESA-N -1 3 225.248 0.142 20 0 BCADHM Cc1ncc(CNC(=O)C2(C)COC2)c(=O)[n-]1 ZINC000345134188 386003595 /nfs/dbraw/zinc/00/35/95/386003595.db2.gz UDJLGYZFOTZLHS-UHFFFAOYSA-N -1 3 237.259 0.143 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1ccoc1)c1nc[nH]n1 ZINC000286332595 386025447 /nfs/dbraw/zinc/02/54/47/386025447.db2.gz IFVZFGIRNCTWJG-ZCFIWIBFSA-N -1 3 242.260 0.437 20 0 BCADHM CC/C=C/C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000295427649 386029440 /nfs/dbraw/zinc/02/94/40/386029440.db2.gz IYWAMMZNZXUSSH-SNAWJCMRSA-N -1 3 229.305 0.665 20 0 BCADHM COC(=O)N[C@@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000496984066 386047488 /nfs/dbraw/zinc/04/74/88/386047488.db2.gz GUSXFBWLDGFLJD-WDSKDSINSA-N -1 3 245.304 0.338 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C(F)F)c1c[n-]nn1 ZINC000345834728 386120109 /nfs/dbraw/zinc/12/01/09/386120109.db2.gz YBDAJXACIDHZBA-QWWZWVQMSA-N -1 3 202.164 0.188 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C(F)F)c1cnn[n-]1 ZINC000345834728 386120119 /nfs/dbraw/zinc/12/01/19/386120119.db2.gz YBDAJXACIDHZBA-QWWZWVQMSA-N -1 3 202.164 0.188 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C(F)F)c1cn[n-]n1 ZINC000345834728 386120125 /nfs/dbraw/zinc/12/01/25/386120125.db2.gz YBDAJXACIDHZBA-QWWZWVQMSA-N -1 3 202.164 0.188 20 0 BCADHM C[C@@H](O)CCN1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000425446716 386079471 /nfs/dbraw/zinc/07/94/71/386079471.db2.gz QFNKRZWODKBTDT-BDAKNGLRSA-N -1 3 239.323 0.135 20 0 BCADHM Cc1ccc(NC(=O)[C@H](C)NC(N)=O)c([O-])c1 ZINC000274873160 386160467 /nfs/dbraw/zinc/16/04/67/386160467.db2.gz LFGJGVKSCFMWRV-ZETCQYMHSA-N -1 3 237.259 0.696 20 0 BCADHM CC[C@@H](C(=O)Nc1nn[n-]n1)N(CC)CC ZINC000346228785 386176133 /nfs/dbraw/zinc/17/61/33/386176133.db2.gz WCRFWWYUDKKCAO-ZETCQYMHSA-N -1 3 226.284 0.259 20 0 BCADHM CC[C@@H](C(=O)Nc1nnn[n-]1)N(CC)CC ZINC000346228785 386176137 /nfs/dbraw/zinc/17/61/37/386176137.db2.gz WCRFWWYUDKKCAO-ZETCQYMHSA-N -1 3 226.284 0.259 20 0 BCADHM CSc1nnc(NC(=O)c2ccnn2C)[n-]1 ZINC000263849439 386182612 /nfs/dbraw/zinc/18/26/12/386182612.db2.gz BXWWKCALQWEOES-UHFFFAOYSA-N -1 3 238.276 0.512 20 0 BCADHM CSc1n[n-]c(NC(=O)c2ccnn2C)n1 ZINC000263849439 386182618 /nfs/dbraw/zinc/18/26/18/386182618.db2.gz BXWWKCALQWEOES-UHFFFAOYSA-N -1 3 238.276 0.512 20 0 BCADHM CSc1nc(NC(=O)c2ccnn2C)n[n-]1 ZINC000263849439 386182624 /nfs/dbraw/zinc/18/26/24/386182624.db2.gz BXWWKCALQWEOES-UHFFFAOYSA-N -1 3 238.276 0.512 20 0 BCADHM Oc1[n-]c(N[C@H]2CCCC[C@H]2O)nc2nncc1-2 ZINC000274712309 386141575 /nfs/dbraw/zinc/14/15/75/386141575.db2.gz YFLQLPSHLJMQBE-JGVFFNPUSA-N -1 3 249.274 0.774 20 0 BCADHM O=S(=O)([N-]C[C@@H](O)C1CC1)c1ccco1 ZINC000275425128 386211287 /nfs/dbraw/zinc/21/12/87/386211287.db2.gz DCRNTJVWIHMKMG-MRVPVSSYSA-N -1 3 231.273 0.329 20 0 BCADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1nncn1C ZINC000339028394 386214768 /nfs/dbraw/zinc/21/47/68/386214768.db2.gz FABUFFONVAJCMH-ZCFIWIBFSA-N -1 3 244.262 0.028 20 0 BCADHM CC[C@H](C[C@@H](C)CO)NC(=O)c1c[n-]nn1 ZINC000340287828 386215441 /nfs/dbraw/zinc/21/54/41/386215441.db2.gz NTXKNWWRRDNCIG-HTQZYQBOSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@H](C[C@@H](C)CO)NC(=O)c1cnn[n-]1 ZINC000340287828 386215448 /nfs/dbraw/zinc/21/54/48/386215448.db2.gz NTXKNWWRRDNCIG-HTQZYQBOSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@H](C[C@@H](C)CO)NC(=O)c1cn[n-]n1 ZINC000340287828 386215452 /nfs/dbraw/zinc/21/54/52/386215452.db2.gz NTXKNWWRRDNCIG-HTQZYQBOSA-N -1 3 226.280 0.332 20 0 BCADHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccco1 ZINC000275499246 386216101 /nfs/dbraw/zinc/21/61/01/386216101.db2.gz QUALLXZTLBZTHR-MRVPVSSYSA-N -1 3 233.289 0.983 20 0 BCADHM COc1cc(C(=O)N[C@@H](C)CO)ccc1[O-] ZINC000276004969 386260644 /nfs/dbraw/zinc/26/06/44/386260644.db2.gz PIBSSXDGHSUTJZ-ZETCQYMHSA-N -1 3 225.244 0.511 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3CCO[C@H]3C3CC3)c1-2 ZINC000340569248 386257382 /nfs/dbraw/zinc/25/73/82/386257382.db2.gz FCBAHNYAAYYGAK-ZJUUUORDSA-N -1 3 245.286 0.706 20 0 BCADHM CCC(C)=CC(=O)Nc1[n-]nnc1C(N)=O ZINC000297889649 386283923 /nfs/dbraw/zinc/28/39/23/386283923.db2.gz VIQJEDBTKZWOOV-SNAWJCMRSA-N -1 3 223.236 0.198 20 0 BCADHM CC/C(C)=C/C(=O)Nc1nn[n-]c1C(N)=O ZINC000297889649 386283928 /nfs/dbraw/zinc/28/39/28/386283928.db2.gz VIQJEDBTKZWOOV-SNAWJCMRSA-N -1 3 223.236 0.198 20 0 BCADHM CCC(C)=CC(=O)Nc1n[n-]nc1C(N)=O ZINC000297889649 386283935 /nfs/dbraw/zinc/28/39/35/386283935.db2.gz VIQJEDBTKZWOOV-SNAWJCMRSA-N -1 3 223.236 0.198 20 0 BCADHM Cn1[n-]c(CN2CCCC23CCC3)nc1=O ZINC000336183791 386286682 /nfs/dbraw/zinc/28/66/82/386286682.db2.gz VBRAUWVSBPCUMT-UHFFFAOYSA-N -1 3 222.292 0.627 20 0 BCADHM C/C=C(\C)C(=O)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297630059 386268825 /nfs/dbraw/zinc/26/88/25/386268825.db2.gz CEDGBKQIEUSLQK-ZZXKWVIFSA-N -1 3 249.274 0.602 20 0 BCADHM CC=C(C)C(=O)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297630059 386268830 /nfs/dbraw/zinc/26/88/30/386268830.db2.gz CEDGBKQIEUSLQK-ZZXKWVIFSA-N -1 3 249.274 0.602 20 0 BCADHM CC=C(C)C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297630059 386268835 /nfs/dbraw/zinc/26/88/35/386268835.db2.gz CEDGBKQIEUSLQK-ZZXKWVIFSA-N -1 3 249.274 0.602 20 0 BCADHM CN(C)c1nc(C(=O)N(C)C2CC2)cc(=O)[n-]1 ZINC000331929355 386268791 /nfs/dbraw/zinc/26/87/91/386268791.db2.gz GQZYNPTWNSPRLN-UHFFFAOYSA-N -1 3 236.275 0.483 20 0 BCADHM CC(C)(C)CCC(=O)Nc1[n-]nnc1C(N)=O ZINC000297695775 386273665 /nfs/dbraw/zinc/27/36/65/386273665.db2.gz HYDAKKSAIAIJNH-UHFFFAOYSA-N -1 3 239.279 0.668 20 0 BCADHM CC(C)(C)CCC(=O)Nc1nn[n-]c1C(N)=O ZINC000297695775 386273668 /nfs/dbraw/zinc/27/36/68/386273668.db2.gz HYDAKKSAIAIJNH-UHFFFAOYSA-N -1 3 239.279 0.668 20 0 BCADHM CC(C)(C)CCC(=O)Nc1n[n-]nc1C(N)=O ZINC000297695775 386273671 /nfs/dbraw/zinc/27/36/71/386273671.db2.gz HYDAKKSAIAIJNH-UHFFFAOYSA-N -1 3 239.279 0.668 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1cn2ccnc2s1 ZINC000188282663 386342380 /nfs/dbraw/zinc/34/23/80/386342380.db2.gz DECJSZIETHSLCD-UHFFFAOYSA-N -1 3 234.244 0.766 20 0 BCADHM CC[C@@H](COC)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000265657245 386356593 /nfs/dbraw/zinc/35/65/93/386356593.db2.gz QDQAYUWGGRRZNV-QMMMGPOBSA-N -1 3 247.320 0.123 20 0 BCADHM Cc1ccc([O-])c(CN[C@@]2(C)CCOC2=O)n1 ZINC000289801760 386358181 /nfs/dbraw/zinc/35/81/81/386358181.db2.gz MFVMVXQFFYXLBY-LBPRGKRZSA-N -1 3 236.271 0.891 20 0 BCADHM COc1ccc(CNC(=O)c2c[n-]nn2)nc1 ZINC000347317917 386359125 /nfs/dbraw/zinc/35/91/25/386359125.db2.gz SJLRWERIHNSDPI-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1ccc(CNC(=O)c2cnn[n-]2)nc1 ZINC000347317917 386359133 /nfs/dbraw/zinc/35/91/33/386359133.db2.gz SJLRWERIHNSDPI-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1ccc(CNC(=O)c2cn[n-]n2)nc1 ZINC000347317917 386359136 /nfs/dbraw/zinc/35/91/36/386359136.db2.gz SJLRWERIHNSDPI-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM C[C@H](C1CC1)N(Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC000347377597 386373813 /nfs/dbraw/zinc/37/38/13/386373813.db2.gz DDNFGULLVCTZFR-MRVPVSSYSA-N -1 3 236.319 0.871 20 0 BCADHM CC(C)(O)CCNC(=O)c1cccc2nn[n-]c21 ZINC000527364247 386436931 /nfs/dbraw/zinc/43/69/31/386436931.db2.gz YRVXUBYAAOMICQ-UHFFFAOYSA-N -1 3 248.286 0.849 20 0 BCADHM CC(C)(O)CCNC(=O)c1cccc2[n-]nnc21 ZINC000527364247 386436942 /nfs/dbraw/zinc/43/69/42/386436942.db2.gz YRVXUBYAAOMICQ-UHFFFAOYSA-N -1 3 248.286 0.849 20 0 BCADHM CC(C)(O)CCNC(=O)c1cccc2n[n-]nc21 ZINC000527364247 386436950 /nfs/dbraw/zinc/43/69/50/386436950.db2.gz YRVXUBYAAOMICQ-UHFFFAOYSA-N -1 3 248.286 0.849 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCSC1 ZINC000347485056 386439031 /nfs/dbraw/zinc/43/90/31/386439031.db2.gz JRIYCOMEQRHGTB-ZETCQYMHSA-N -1 3 228.321 0.046 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCSC1 ZINC000347485053 386439379 /nfs/dbraw/zinc/43/93/79/386439379.db2.gz JRIYCOMEQRHGTB-SSDOTTSWSA-N -1 3 228.321 0.046 20 0 BCADHM C[C@H](C1CCC1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000347542447 386444652 /nfs/dbraw/zinc/44/46/52/386444652.db2.gz GOXNWKOPSKAIOX-MRVPVSSYSA-N -1 3 224.308 0.729 20 0 BCADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1nc[nH]n1 ZINC000284152025 386444869 /nfs/dbraw/zinc/44/48/69/386444869.db2.gz TXJMPTTUZZTHDN-SCSAIBSYSA-N -1 3 204.180 0.637 20 0 BCADHM Cc1cc(C(=O)NCCOCCO)ccc1[O-] ZINC000227017946 386447872 /nfs/dbraw/zinc/44/78/72/386447872.db2.gz CUIHJGKVVCMPBX-UHFFFAOYSA-N -1 3 239.271 0.439 20 0 BCADHM CCCc1nnc(NC(=O)c2cnn[n-]2)s1 ZINC000298911068 386397881 /nfs/dbraw/zinc/39/78/81/386397881.db2.gz DNJGVQCBGRYYOC-UHFFFAOYSA-N -1 3 238.276 0.861 20 0 BCADHM CCCc1nnc(NC(=O)c2c[n-]nn2)s1 ZINC000298911068 386397887 /nfs/dbraw/zinc/39/78/87/386397887.db2.gz DNJGVQCBGRYYOC-UHFFFAOYSA-N -1 3 238.276 0.861 20 0 BCADHM CCCc1nnc(NC(=O)c2cn[n-]n2)s1 ZINC000298911068 386397895 /nfs/dbraw/zinc/39/78/95/386397895.db2.gz DNJGVQCBGRYYOC-UHFFFAOYSA-N -1 3 238.276 0.861 20 0 BCADHM CO[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]nn1 ZINC000266148206 386402586 /nfs/dbraw/zinc/40/25/86/386402586.db2.gz MVRNMDMMWLXECK-VXNVDRBHSA-N -1 3 224.264 0.492 20 0 BCADHM CO[C@@H]1CCCC[C@H]1NC(=O)c1cnn[n-]1 ZINC000266148206 386402590 /nfs/dbraw/zinc/40/25/90/386402590.db2.gz MVRNMDMMWLXECK-VXNVDRBHSA-N -1 3 224.264 0.492 20 0 BCADHM CO[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC000266148206 386402593 /nfs/dbraw/zinc/40/25/93/386402593.db2.gz MVRNMDMMWLXECK-VXNVDRBHSA-N -1 3 224.264 0.492 20 0 BCADHM COC[C@@](C)(NCc1cn(C)nc1C)C(=O)[O-] ZINC000417578127 386404198 /nfs/dbraw/zinc/40/41/98/386404198.db2.gz KWYVLELAKSCFJN-LLVKDONJSA-N -1 3 241.291 0.308 20 0 BCADHM CC[C@H](C)CN(CC)Cc1nc(=O)n(C)[n-]1 ZINC000347449681 386408989 /nfs/dbraw/zinc/40/89/89/386408989.db2.gz XNIJACQYOVYWDU-VIFPVBQESA-N -1 3 226.324 0.976 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCC1 ZINC000527355689 386414679 /nfs/dbraw/zinc/41/46/79/386414679.db2.gz ITMCTXZXQOEEDB-UHFFFAOYSA-N -1 3 202.217 0.804 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCC1 ZINC000527355689 386414687 /nfs/dbraw/zinc/41/46/87/386414687.db2.gz ITMCTXZXQOEEDB-UHFFFAOYSA-N -1 3 202.217 0.804 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCC1 ZINC000527355689 386414693 /nfs/dbraw/zinc/41/46/93/386414693.db2.gz ITMCTXZXQOEEDB-UHFFFAOYSA-N -1 3 202.217 0.804 20 0 BCADHM CC(C)(O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000277222559 386418009 /nfs/dbraw/zinc/41/80/09/386418009.db2.gz WPTAIHGFIGJVJT-UHFFFAOYSA-N -1 3 247.258 0.576 20 0 BCADHM CC(C)(O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000277222559 386418012 /nfs/dbraw/zinc/41/80/12/386418012.db2.gz WPTAIHGFIGJVJT-UHFFFAOYSA-N -1 3 247.258 0.576 20 0 BCADHM C[C@@H](O)CCCN=c1ncnc2[nH][n-]cc1-2 ZINC000336777341 386419970 /nfs/dbraw/zinc/41/99/70/386419970.db2.gz IELRFWGLELKJBN-SSDOTTSWSA-N -1 3 221.264 0.299 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CC2(C)CCC2)n1 ZINC000335365197 386478250 /nfs/dbraw/zinc/47/82/50/386478250.db2.gz LKFNJGSHSQSCAE-UHFFFAOYSA-N -1 3 243.332 0.889 20 0 BCADHM COC[C@H](CNC(=O)c1ccccc1[O-])OC ZINC000227697901 386503369 /nfs/dbraw/zinc/50/33/69/386503369.db2.gz GDHOPWUVCUFVNI-VIFPVBQESA-N -1 3 239.271 0.783 20 0 BCADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335453721 386528160 /nfs/dbraw/zinc/52/81/60/386528160.db2.gz WAOWHVOVAAPTNU-HTQZYQBOSA-N -1 3 229.305 0.354 20 0 BCADHM COc1cc(C(=O)N2CC(C)(O)C2)ccc1[O-] ZINC000277688760 386459411 /nfs/dbraw/zinc/45/94/11/386459411.db2.gz GPEKECCZYPKYIX-UHFFFAOYSA-N -1 3 237.255 0.608 20 0 BCADHM CC[C@@H](CNc1nc2nncc-2c(O)[n-]1)OC ZINC000290605774 386460027 /nfs/dbraw/zinc/46/00/27/386460027.db2.gz FGGLBUSTRPCNOY-LURJTMIESA-N -1 3 237.263 0.895 20 0 BCADHM CSCCCN(C)Cc1nc(=O)n(C)[n-]1 ZINC000439470996 386581710 /nfs/dbraw/zinc/58/17/10/386581710.db2.gz OVUHCMHUSMYOHK-UHFFFAOYSA-N -1 3 230.337 0.293 20 0 BCADHM Cn1cnnc1[N-]C(=O)COc1ccsc1 ZINC000337021312 386583174 /nfs/dbraw/zinc/58/31/74/386583174.db2.gz WUBPZUXKKGWTIM-UHFFFAOYSA-N -1 3 238.272 0.894 20 0 BCADHM CO[C@H](C)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267844977 386590186 /nfs/dbraw/zinc/59/01/86/386590186.db2.gz CHBWQOCFVDDZAW-RXMQYKEDSA-N -1 3 227.220 0.170 20 0 BCADHM CC(C)CCC(=O)Nc1[n-]nnc1C(N)=O ZINC000291391081 386539581 /nfs/dbraw/zinc/53/95/81/386539581.db2.gz CPMZSIRPYMARBF-UHFFFAOYSA-N -1 3 225.252 0.278 20 0 BCADHM CC(C)CCC(=O)Nc1nn[n-]c1C(N)=O ZINC000291391081 386539586 /nfs/dbraw/zinc/53/95/86/386539586.db2.gz CPMZSIRPYMARBF-UHFFFAOYSA-N -1 3 225.252 0.278 20 0 BCADHM CC(C)CCC(=O)Nc1n[n-]nc1C(N)=O ZINC000291391081 386539589 /nfs/dbraw/zinc/53/95/89/386539589.db2.gz CPMZSIRPYMARBF-UHFFFAOYSA-N -1 3 225.252 0.278 20 0 BCADHM CC(C)(CO)[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC000339727506 386542079 /nfs/dbraw/zinc/54/20/79/386542079.db2.gz FAXLTSXZTWZAFH-SECBINFHSA-N -1 3 240.307 0.397 20 0 BCADHM C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ncccc1[O-] ZINC000519793690 386558036 /nfs/dbraw/zinc/55/80/36/386558036.db2.gz RJAGLKBVDSTKGC-RKDXNWHRSA-N -1 3 208.261 0.742 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1Cc1ncccc1[O-] ZINC000519793690 386558043 /nfs/dbraw/zinc/55/80/43/386558043.db2.gz RJAGLKBVDSTKGC-RKDXNWHRSA-N -1 3 208.261 0.742 20 0 BCADHM CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@H]2O)cc1[O-] ZINC000425319938 386559811 /nfs/dbraw/zinc/55/98/11/386559811.db2.gz DNAALIXGRYCJGD-GHMZBOCLSA-N -1 3 249.266 0.848 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C[C@H]2CC23CC3)n1 ZINC000335408085 386569132 /nfs/dbraw/zinc/56/91/32/386569132.db2.gz MEVRMBIZUAWESW-MRVPVSSYSA-N -1 3 241.316 0.499 20 0 BCADHM COC(=O)c1ccc(C[N-]C(=O)C(F)F)o1 ZINC000279039478 386621793 /nfs/dbraw/zinc/62/17/93/386621793.db2.gz OKGVNBBQWZLNGQ-UHFFFAOYSA-N -1 3 233.170 0.948 20 0 BCADHM CC(C)(C)[C@H]([N-]C(=O)C(F)F)C(N)=O ZINC000279059843 386623801 /nfs/dbraw/zinc/62/38/01/386623801.db2.gz PYAKDLCDTLCJIM-SCSAIBSYSA-N -1 3 208.208 0.268 20 0 BCADHM CC/C=C\C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000451772079 386639566 /nfs/dbraw/zinc/63/95/66/386639566.db2.gz IYWAMMZNZXUSSH-PLNGDYQASA-N -1 3 229.305 0.665 20 0 BCADHM O=C(N[C@H]1CCC[C@@H](F)C1)c1c[n-]nn1 ZINC000335507742 386640592 /nfs/dbraw/zinc/64/05/92/386640592.db2.gz AKYLUSVOWUKFDO-RQJHMYQMSA-N -1 3 212.228 0.815 20 0 BCADHM O=C(N[C@H]1CCC[C@@H](F)C1)c1cnn[n-]1 ZINC000335507742 386640596 /nfs/dbraw/zinc/64/05/96/386640596.db2.gz AKYLUSVOWUKFDO-RQJHMYQMSA-N -1 3 212.228 0.815 20 0 BCADHM O=C(N[C@H]1CCC[C@@H](F)C1)c1cn[n-]n1 ZINC000335507742 386640600 /nfs/dbraw/zinc/64/06/00/386640600.db2.gz AKYLUSVOWUKFDO-RQJHMYQMSA-N -1 3 212.228 0.815 20 0 BCADHM CC(C)(C)n1cnc(C(=O)[N-]c2nc[nH]n2)n1 ZINC000292329153 386650069 /nfs/dbraw/zinc/65/00/69/386650069.db2.gz ASSOYYUZNXYSRZ-UHFFFAOYSA-N -1 3 235.251 0.404 20 0 BCADHM CO[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000336759151 386653505 /nfs/dbraw/zinc/65/35/05/386653505.db2.gz ISZHZEUSNYGRRY-HTQZYQBOSA-N -1 3 226.280 0.558 20 0 BCADHM O=S(=O)([N-][C@H]1CCCOC1)c1ccccn1 ZINC000329339549 386653686 /nfs/dbraw/zinc/65/36/86/386653686.db2.gz RCCGZBZLVUNTSY-VIFPVBQESA-N -1 3 242.300 0.539 20 0 BCADHM O=S(=O)([N-][C@@H]1CCCOC1)c1ccccn1 ZINC000329339548 386653956 /nfs/dbraw/zinc/65/39/56/386653956.db2.gz RCCGZBZLVUNTSY-SECBINFHSA-N -1 3 242.300 0.539 20 0 BCADHM COC(=O)[C@@H]1CC[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000291908903 386600340 /nfs/dbraw/zinc/60/03/40/386600340.db2.gz SPHQWUGHYNKXLZ-NNHTYMAWSA-N -1 3 247.678 0.986 20 0 BCADHM CO[C@](C)(C(=O)[N-]c1nncn1C)C1CC1 ZINC000291956582 386602303 /nfs/dbraw/zinc/60/23/03/386602303.db2.gz QXDZGAZQUMNXMP-JTQLQIEISA-N -1 3 224.264 0.569 20 0 BCADHM CC[C@@H](C)[C@H](NC(=O)c1c[n-]nn1)C(=O)OC ZINC000096475038 386603514 /nfs/dbraw/zinc/60/35/14/386603514.db2.gz WLAVYTIUADVCFC-SVRRBLITSA-N -1 3 240.263 0.122 20 0 BCADHM CC[C@@H](C)[C@H](NC(=O)c1cnn[n-]1)C(=O)OC ZINC000096475038 386603517 /nfs/dbraw/zinc/60/35/17/386603517.db2.gz WLAVYTIUADVCFC-SVRRBLITSA-N -1 3 240.263 0.122 20 0 BCADHM CC[C@@H](C)[C@H](NC(=O)c1cn[n-]n1)C(=O)OC ZINC000096475038 386603520 /nfs/dbraw/zinc/60/35/20/386603520.db2.gz WLAVYTIUADVCFC-SVRRBLITSA-N -1 3 240.263 0.122 20 0 BCADHM OC[C@H](CC1CCC1)N=c1ncnc2[nH][n-]cc1-2 ZINC000520418005 386670005 /nfs/dbraw/zinc/67/00/05/386670005.db2.gz RFTNHMUEMMEIOD-VIFPVBQESA-N -1 3 247.302 0.689 20 0 BCADHM Cc1ccc(C(=O)N[C@@H]2CC[C@H]2O)c([O-])c1 ZINC000335531568 386680479 /nfs/dbraw/zinc/68/04/79/386680479.db2.gz SQKXWHNYILWECM-NXEZZACHSA-N -1 3 221.256 0.954 20 0 BCADHM O=C([O-])C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000062983722 386683778 /nfs/dbraw/zinc/68/37/78/386683778.db2.gz UCNXLRVNGOACAW-VIFPVBQESA-N -1 3 226.276 0.158 20 0 BCADHM O=C([O-])C(=O)NCCN1CCCCCC1 ZINC000049478394 386689879 /nfs/dbraw/zinc/68/98/79/386689879.db2.gz ZSNUKCABRUSKLU-UHFFFAOYSA-N -1 3 214.265 0.063 20 0 BCADHM CC(C)c1noc(=NC[C@@H](C)N(C)C)[n-]1 ZINC000336759905 386695292 /nfs/dbraw/zinc/69/52/92/386695292.db2.gz LSOJAGNJVNBGRQ-MRVPVSSYSA-N -1 3 212.297 0.977 20 0 BCADHM Cc1ccc([O-])c(CNC2(C(=O)N(C)C)CC2)n1 ZINC000414487432 386708269 /nfs/dbraw/zinc/70/82/69/386708269.db2.gz OUHDQRPGGWPGCE-UHFFFAOYSA-N -1 3 249.314 0.806 20 0 BCADHM O=C(NCCCF)NCc1ncccc1[O-] ZINC000526978193 386719200 /nfs/dbraw/zinc/71/92/00/386719200.db2.gz HKTHBVACYWITCB-UHFFFAOYSA-N -1 3 227.239 0.946 20 0 BCADHM CC(C)c1ncc(NC(=O)c2cnn[n-]2)cn1 ZINC000279848795 386745476 /nfs/dbraw/zinc/74/54/76/386745476.db2.gz DXHNJTXSABGSKS-UHFFFAOYSA-N -1 3 232.247 0.970 20 0 BCADHM CC(C)c1ncc(NC(=O)c2c[n-]nn2)cn1 ZINC000279848795 386745478 /nfs/dbraw/zinc/74/54/78/386745478.db2.gz DXHNJTXSABGSKS-UHFFFAOYSA-N -1 3 232.247 0.970 20 0 BCADHM CC(C)c1ncc(NC(=O)c2cn[n-]n2)cn1 ZINC000279848795 386745482 /nfs/dbraw/zinc/74/54/82/386745482.db2.gz DXHNJTXSABGSKS-UHFFFAOYSA-N -1 3 232.247 0.970 20 0 BCADHM CSCCO[N-]C(=O)/C=C/c1ccnn1C ZINC000279836321 386746662 /nfs/dbraw/zinc/74/66/62/386746662.db2.gz BJHNCRXXOMSZOW-ONEGZZNKSA-N -1 3 241.316 0.844 20 0 BCADHM COc1nnc(NC(=O)c2cc(F)c[nH]2)[n-]1 ZINC000344848627 386761243 /nfs/dbraw/zinc/76/12/43/386761243.db2.gz MILCEIXYWDATHN-UHFFFAOYSA-N -1 3 225.183 0.533 20 0 BCADHM COc1nc(NC(=O)c2cc(F)c[nH]2)n[n-]1 ZINC000344848627 386761250 /nfs/dbraw/zinc/76/12/50/386761250.db2.gz MILCEIXYWDATHN-UHFFFAOYSA-N -1 3 225.183 0.533 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(F)c[nH]2)n1 ZINC000344848627 386761254 /nfs/dbraw/zinc/76/12/54/386761254.db2.gz MILCEIXYWDATHN-UHFFFAOYSA-N -1 3 225.183 0.533 20 0 BCADHM COC(=O)CCCNC(=O)c1csc(=O)[n-]1 ZINC000348976192 386767415 /nfs/dbraw/zinc/76/74/15/386767415.db2.gz XRHQUNDVUBQESW-UHFFFAOYSA-N -1 3 244.272 0.532 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC[C@@H](CO)C2)n1 ZINC000269433139 386792301 /nfs/dbraw/zinc/79/23/01/386792301.db2.gz LVARDYQIBGVCEK-SECBINFHSA-N -1 3 237.303 0.559 20 0 BCADHM CO[C@@H](C)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000191217627 386777522 /nfs/dbraw/zinc/77/75/22/386777522.db2.gz PVXYYIKNNYZKGO-ZETCQYMHSA-N -1 3 247.320 0.042 20 0 BCADHM CC(C)N(Cc1n[nH]c(=O)[n-]1)C1CCOCC1 ZINC000340834934 386786879 /nfs/dbraw/zinc/78/68/79/386786879.db2.gz OQTQRNVPHQZKEU-UHFFFAOYSA-N -1 3 240.307 0.900 20 0 BCADHM CC[C@]1(O)CCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000329979627 386819503 /nfs/dbraw/zinc/81/95/03/386819503.db2.gz JYNTUJBYTKBVEY-JTQLQIEISA-N -1 3 242.300 0.836 20 0 BCADHM COc1ncc(/C=C\C(=O)[N-]OC(C)C)cn1 ZINC000493864565 533196177 /nfs/dbraw/zinc/19/61/77/533196177.db2.gz ZCQKEPBMSRZVPB-PLNGDYQASA-N -1 3 237.259 0.955 20 0 BCADHM CO[C@@H]1CN(C(=O)c2cccc([O-])c2)C[C@H]1O ZINC000395262556 386801980 /nfs/dbraw/zinc/80/19/80/386801980.db2.gz DKDSIEABJWBLCZ-GHMZBOCLSA-N -1 3 237.255 0.224 20 0 BCADHM CCOCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330659769 386814756 /nfs/dbraw/zinc/81/47/56/386814756.db2.gz RSIBYQUKYJKBBW-UHFFFAOYSA-N -1 3 233.289 0.903 20 0 BCADHM COCc1nnc(Sc2ncccn2)[n-]1 ZINC000340054422 386838910 /nfs/dbraw/zinc/83/89/10/386838910.db2.gz GZWPVPIIKMOKGA-UHFFFAOYSA-N -1 3 223.261 0.892 20 0 BCADHM COCc1n[n-]c(Sc2ncccn2)n1 ZINC000340054422 386838914 /nfs/dbraw/zinc/83/89/14/386838914.db2.gz GZWPVPIIKMOKGA-UHFFFAOYSA-N -1 3 223.261 0.892 20 0 BCADHM COCc1nc(Sc2ncccn2)n[n-]1 ZINC000340054422 386838922 /nfs/dbraw/zinc/83/89/22/386838922.db2.gz GZWPVPIIKMOKGA-UHFFFAOYSA-N -1 3 223.261 0.892 20 0 BCADHM C[C@@H]1[C@H](C)N(Cc2n[nH]c(=O)[n-]2)CCN1C ZINC000341134796 386845656 /nfs/dbraw/zinc/84/56/56/386845656.db2.gz YETQOLBDGGOQJT-SFYZADRCSA-N -1 3 225.296 0.035 20 0 BCADHM Cn1cnc([N-]C(=O)c2noc3c2CCCC3)n1 ZINC000293593878 386846265 /nfs/dbraw/zinc/84/62/65/386846265.db2.gz GIPPPUKCIYACEU-UHFFFAOYSA-N -1 3 247.258 0.934 20 0 BCADHM CC/C=C\CCN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000341305491 386891317 /nfs/dbraw/zinc/89/13/17/386891317.db2.gz VIWMMQYSEPTDLQ-UMBAGQNISA-N -1 3 237.303 0.579 20 0 BCADHM CC(C)(C)OC(=O)C[N-]S(=O)(=O)CC1CC1 ZINC000331751179 386891640 /nfs/dbraw/zinc/89/16/40/386891640.db2.gz BEGRVRQAXHCFOS-UHFFFAOYSA-N -1 3 249.332 0.658 20 0 BCADHM C[C@H](C(=O)[O-])N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336739443 386882585 /nfs/dbraw/zinc/88/25/85/386882585.db2.gz LGUMANYDVDOGGG-SVRRBLITSA-N -1 3 241.209 0.849 20 0 BCADHM Cc1nscc1C(=O)[N-]c1ncn(C)n1 ZINC000293823441 386884811 /nfs/dbraw/zinc/88/48/11/386884811.db2.gz ZXKSGULEPKZJQF-UHFFFAOYSA-N -1 3 223.261 0.832 20 0 BCADHM CC(C)Cn1cc(NC(=O)c2nc[n-]n2)cn1 ZINC000330797476 386889754 /nfs/dbraw/zinc/88/97/54/386889754.db2.gz XUDSLEAVOFBLCB-UHFFFAOYSA-N -1 3 234.263 0.910 20 0 BCADHM O=S(=O)(CCCF)[N-]Cc1ccno1 ZINC000330838334 386902112 /nfs/dbraw/zinc/90/21/12/386902112.db2.gz JDTSJIBOWDALTM-UHFFFAOYSA-N -1 3 222.241 0.454 20 0 BCADHM C[C@@H]([N-]S(C)(=O)=O)c1nc(C2CC2)no1 ZINC000331794937 386908161 /nfs/dbraw/zinc/90/81/61/386908161.db2.gz QUDBYZLYXGLDQS-RXMQYKEDSA-N -1 3 231.277 0.557 20 0 BCADHM CN(C)C(=O)[C@@H]1CCCN1Cc1ncccc1[O-] ZINC000528683141 386926450 /nfs/dbraw/zinc/92/64/50/386926450.db2.gz SJYWHDFSWFZTOT-NSHDSACASA-N -1 3 249.314 0.840 20 0 BCADHM Cn1ccnc1[C@@H](NC(=O)c1c[n-]nn1)C1CC1 ZINC000341719435 386954934 /nfs/dbraw/zinc/95/49/34/386954934.db2.gz NHLMVCQJORCYJS-VIFPVBQESA-N -1 3 246.274 0.419 20 0 BCADHM Cn1ccnc1[C@@H](NC(=O)c1cn[n-]n1)C1CC1 ZINC000341719435 386954939 /nfs/dbraw/zinc/95/49/39/386954939.db2.gz NHLMVCQJORCYJS-VIFPVBQESA-N -1 3 246.274 0.419 20 0 BCADHM Cn1ccnc1[C@@H](NC(=O)c1cnn[n-]1)C1CC1 ZINC000341719435 386954942 /nfs/dbraw/zinc/95/49/42/386954942.db2.gz NHLMVCQJORCYJS-VIFPVBQESA-N -1 3 246.274 0.419 20 0 BCADHM O=S(=O)([N-][C@@H]1CCCC[C@H]1F)c1c[nH]cn1 ZINC000334897167 386970592 /nfs/dbraw/zinc/97/05/92/386970592.db2.gz JEGNDYYQHBYYLN-HTQZYQBOSA-N -1 3 247.295 0.969 20 0 BCADHM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000334899567 386972901 /nfs/dbraw/zinc/97/29/01/386972901.db2.gz CSZPILSUMHCRAL-OTSSQURYSA-N -1 3 231.273 0.471 20 0 BCADHM Cc1nc(C)c(Cc2nc(N(C)C)no2)c(=O)[n-]1 ZINC000358580937 386982953 /nfs/dbraw/zinc/98/29/53/386982953.db2.gz REWGZTPQWCGDQS-UHFFFAOYSA-N -1 3 249.274 0.839 20 0 BCADHM COCCc1ccnc(NC(=O)c2cnn[n-]2)c1 ZINC000341886888 386984651 /nfs/dbraw/zinc/98/46/51/386984651.db2.gz HFUPJBLTFGPRAG-UHFFFAOYSA-N -1 3 247.258 0.641 20 0 BCADHM COCCc1ccnc(NC(=O)c2c[n-]nn2)c1 ZINC000341886888 386984655 /nfs/dbraw/zinc/98/46/55/386984655.db2.gz HFUPJBLTFGPRAG-UHFFFAOYSA-N -1 3 247.258 0.641 20 0 BCADHM COCCc1ccnc(NC(=O)c2cn[n-]n2)c1 ZINC000341886888 386984659 /nfs/dbraw/zinc/98/46/59/386984659.db2.gz HFUPJBLTFGPRAG-UHFFFAOYSA-N -1 3 247.258 0.641 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CCC(=O)NC1 ZINC000341890400 386985633 /nfs/dbraw/zinc/98/56/33/386985633.db2.gz VAGBYVVJEVJDIH-ZETCQYMHSA-N -1 3 235.243 0.252 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]Cc1ncc(C)o1 ZINC000331186090 386985780 /nfs/dbraw/zinc/98/57/80/386985780.db2.gz NJHQGXQKOXLKFI-MRVPVSSYSA-N -1 3 248.304 0.437 20 0 BCADHM COC(=O)[C@H](C)N(C)C(=O)c1csc(=O)[n-]1 ZINC000331220773 386991679 /nfs/dbraw/zinc/99/16/79/386991679.db2.gz JMZVAVCFQIIHDS-YFKPBYRVSA-N -1 3 244.272 0.482 20 0 BCADHM CN(C)CC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000331275994 386994736 /nfs/dbraw/zinc/99/47/36/386994736.db2.gz QKMHXKRZPXHCAR-UHFFFAOYSA-N -1 3 247.295 0.061 20 0 BCADHM Cc1nc(C[N-]S(=O)(=O)CC(C)(C)C)no1 ZINC000331262829 387000062 /nfs/dbraw/zinc/00/00/62/387000062.db2.gz DVHVOZMJHIYTBX-UHFFFAOYSA-N -1 3 247.320 0.844 20 0 BCADHM CCCCCS(=O)(=O)[N-]Cc1nc(C)no1 ZINC000331318971 387002180 /nfs/dbraw/zinc/00/21/80/387002180.db2.gz KIUKFEUVYGVUPZ-UHFFFAOYSA-N -1 3 247.320 0.988 20 0 BCADHM CC[C@H](O)CC(=O)Nc1ncccc1[O-] ZINC000331331276 387004229 /nfs/dbraw/zinc/00/42/29/387004229.db2.gz OPSCJEIFMJZALH-ZETCQYMHSA-N -1 3 210.233 0.887 20 0 BCADHM CCCS(=O)(=O)[N-][C@@H]1CNCCC1(F)F ZINC000334968055 387051195 /nfs/dbraw/zinc/05/11/95/387051195.db2.gz OPPUHXTURISAFK-SSDOTTSWSA-N -1 3 242.291 0.313 20 0 BCADHM CC[C@@H](C)[C@@H](O)CNC(=O)c1csc(=O)[n-]1 ZINC000334052245 387053132 /nfs/dbraw/zinc/05/31/32/387053132.db2.gz BDCXXJYGCDGHML-SVRRBLITSA-N -1 3 244.316 0.986 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000333972337 387118808 /nfs/dbraw/zinc/11/88/08/387118808.db2.gz XAOUOOKFZPYDQL-DJLDLDEBSA-N -1 3 246.266 0.763 20 0 BCADHM Cc1ccc([O-])c(CN2CC(=O)N(C)C2)n1 ZINC000359692897 387148036 /nfs/dbraw/zinc/14/80/36/387148036.db2.gz GPXMBGUKSVSBDR-UHFFFAOYSA-N -1 3 221.260 0.327 20 0 BCADHM Cc1noc([N-]C(=O)[C@@H]2COCCO2)c1C ZINC000359756671 387159741 /nfs/dbraw/zinc/15/97/41/387159741.db2.gz AWWMGWDQKCKULO-QMMMGPOBSA-N -1 3 226.232 0.645 20 0 BCADHM CCOC(=O)[C@H](CC)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000571806808 387174246 /nfs/dbraw/zinc/17/42/46/387174246.db2.gz QMNZLKHRFYQRJP-BBBLOLIVSA-N -1 3 243.303 0.981 20 0 BCADHM CC[C@@H](C)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000336353920 387182863 /nfs/dbraw/zinc/18/28/63/387182863.db2.gz XIUKZVTYAGLEEF-SFYZADRCSA-N -1 3 211.265 0.021 20 0 BCADHM COC(=O)CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000571688036 387140418 /nfs/dbraw/zinc/14/04/18/387140418.db2.gz LSTRJGMCWPUGLS-UTLUCORTSA-N -1 3 241.287 0.877 20 0 BCADHM COC(=O)CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000571688033 387140548 /nfs/dbraw/zinc/14/05/48/387140548.db2.gz LSTRJGMCWPUGLS-GUBZILKMSA-N -1 3 241.287 0.877 20 0 BCADHM COC(=O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000571688031 387140583 /nfs/dbraw/zinc/14/05/83/387140583.db2.gz LSTRJGMCWPUGLS-BBBLOLIVSA-N -1 3 241.287 0.877 20 0 BCADHM CC(C)=CCN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000336373815 387206212 /nfs/dbraw/zinc/20/62/12/387206212.db2.gz PGCSGZCEWRXGAR-SECBINFHSA-N -1 3 223.276 0.189 20 0 BCADHM COc1ccc([O-])c(C(=O)N(C)[C@H](C)CO)c1 ZINC000093244850 387217638 /nfs/dbraw/zinc/21/76/38/387217638.db2.gz WNUCWMYQPGKMSM-MRVPVSSYSA-N -1 3 239.271 0.854 20 0 BCADHM O=S(=O)(CC1CC1)NCc1ncccc1[O-] ZINC000360041819 387219833 /nfs/dbraw/zinc/21/98/33/387219833.db2.gz ZTNJEGQNSWDCGA-UHFFFAOYSA-N -1 3 242.300 0.617 20 0 BCADHM C[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@H]1C ZINC000336397137 387224233 /nfs/dbraw/zinc/22/42/33/387224233.db2.gz BIMAPCVIISCKNU-BDAKNGLRSA-N -1 3 224.308 0.729 20 0 BCADHM COc1cncc(CN(C)[C@@H](C)C(=O)[O-])c1 ZINC000572168912 387255272 /nfs/dbraw/zinc/25/52/72/387255272.db2.gz QENUIOXTYOONCQ-QMMMGPOBSA-N -1 3 224.260 0.995 20 0 BCADHM Cn1[n-]c(CN[C@H]2CC3CCC2CC3)nc1=O ZINC000514706577 387274585 /nfs/dbraw/zinc/27/45/85/387274585.db2.gz FVEOAPMTABWFGI-RTBKNWGFSA-N -1 3 236.319 0.777 20 0 BCADHM COCc1nc(SCC(=O)NC(C)C)n[n-]1 ZINC000353814602 387279896 /nfs/dbraw/zinc/27/98/96/387279896.db2.gz LFXYSQKKLDFMHT-UHFFFAOYSA-N -1 3 244.320 0.568 20 0 BCADHM CN[C@H](CC(C)(C)C)C(=O)Nc1nnn[n-]1 ZINC000514938574 387318447 /nfs/dbraw/zinc/31/84/47/387318447.db2.gz LWULUAZPWBRGHM-ZCFIWIBFSA-N -1 3 226.284 0.162 20 0 BCADHM C[C@@H]1C[C@@H](C)N1C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000525940512 387298517 /nfs/dbraw/zinc/29/85/17/387298517.db2.gz XBIAKUWWSZTTCS-RNFRBKRXSA-N -1 3 237.259 0.109 20 0 BCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cscn2)CO1 ZINC000515056874 387326578 /nfs/dbraw/zinc/32/65/78/387326578.db2.gz PTLNZUYEBMZWNF-RNFRBKRXSA-N -1 3 248.329 0.599 20 0 BCADHM CC[C@H](Sc1n[n-]c(CO)n1)C(=O)OC ZINC000572353287 387339295 /nfs/dbraw/zinc/33/92/95/387339295.db2.gz HDBLMQAKJBBHRF-YFKPBYRVSA-N -1 3 231.277 0.341 20 0 BCADHM Cc1cc(C(=O)NCCCCF)[n-]c(=O)n1 ZINC000360803125 387352335 /nfs/dbraw/zinc/35/23/35/387352335.db2.gz PGZOUQMDCXHHRG-UHFFFAOYSA-N -1 3 227.239 0.970 20 0 BCADHM C[C@@H]1CCN(c2nc3[nH][n-]cc-3c(=N)n2)[C@H]1C ZINC000354573865 387397403 /nfs/dbraw/zinc/39/74/03/387397403.db2.gz JJXCJVOQYLLHDS-RQJHMYQMSA-N -1 3 232.291 0.952 20 0 BCADHM Cn1cc(NC(=O)c2ccc3n[n-]nc3c2)nn1 ZINC000361151681 387405664 /nfs/dbraw/zinc/40/56/64/387405664.db2.gz VLQOWPOGLSDZRH-UHFFFAOYSA-N -1 3 243.230 0.339 20 0 BCADHM CC[C@H](C)[C@@H](N)C(=O)NCc1ncccc1[O-] ZINC000423762895 387415968 /nfs/dbraw/zinc/41/59/68/387415968.db2.gz VGNGSHRDVXTQTM-GZMMTYOYSA-N -1 3 237.303 0.777 20 0 BCADHM O=S(=O)([N-]C[C@@H]1[C@H]2COC[C@H]21)c1ccco1 ZINC000367133670 387420577 /nfs/dbraw/zinc/42/05/77/387420577.db2.gz OXISARDKDQIHQJ-PSVAKVPMSA-N -1 3 243.284 0.450 20 0 BCADHM C[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000374834746 387493957 /nfs/dbraw/zinc/49/39/57/387493957.db2.gz BGZPTGZBLDSORK-UHFFFAOYSA-N -1 3 215.278 0.128 20 0 BCADHM CN(c1ccncc1C(=O)[O-])C1CC(O)C1 ZINC000516472545 387514704 /nfs/dbraw/zinc/51/47/04/387514704.db2.gz FVUIVBBFPBSIGU-UHFFFAOYSA-N -1 3 222.244 0.739 20 0 BCADHM Cn1cnc(C(=O)[N-]c2ccncc2F)n1 ZINC000355388265 387527177 /nfs/dbraw/zinc/52/71/77/387527177.db2.gz UGLBGQOSYGHQBM-UHFFFAOYSA-N -1 3 221.195 0.023 20 0 BCADHM CCc1cccc(C(=O)NC(CO)CO)c1[O-] ZINC000527195334 387527761 /nfs/dbraw/zinc/52/77/61/387527761.db2.gz CAXXDXYXNNBKQE-UHFFFAOYSA-N -1 3 239.271 0.038 20 0 BCADHM C[C@]1(O)CCCN(Cc2n[n-]c(=O)s2)CC1 ZINC000375359301 387532130 /nfs/dbraw/zinc/53/21/30/387532130.db2.gz CPPKRBXSCAXSRE-JTQLQIEISA-N -1 3 243.332 0.981 20 0 BCADHM CO[C@H]1CCCC[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC000361763289 387532206 /nfs/dbraw/zinc/53/22/06/387532206.db2.gz DNYMKUBHEFDNSQ-BDAKNGLRSA-N -1 3 240.307 0.156 20 0 BCADHM CC(=O)Nc1ncccc1[N-]S(C)(=O)=O ZINC000527503596 387587333 /nfs/dbraw/zinc/58/73/33/387587333.db2.gz IYUXGQDITHSNJW-UHFFFAOYSA-N -1 3 229.261 0.412 20 0 BCADHM Cc1ccc(C(=O)Nc2[n-]nnc2C(N)=O)cc1 ZINC000362411794 387610742 /nfs/dbraw/zinc/61/07/42/387610742.db2.gz QJOAFEPCLFBMFR-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM Cc1ccc(C(=O)Nc2nn[n-]c2C(N)=O)cc1 ZINC000362411794 387610744 /nfs/dbraw/zinc/61/07/44/387610744.db2.gz QJOAFEPCLFBMFR-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM Cc1ccc(C(=O)Nc2n[n-]nc2C(N)=O)cc1 ZINC000362411794 387610745 /nfs/dbraw/zinc/61/07/45/387610745.db2.gz QJOAFEPCLFBMFR-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000305654691 387623339 /nfs/dbraw/zinc/62/33/39/387623339.db2.gz FBLPDPQBVZSYEP-IUCAKERBSA-N -1 3 244.316 0.377 20 0 BCADHM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000305654688 387623505 /nfs/dbraw/zinc/62/35/05/387623505.db2.gz FBLPDPQBVZSYEP-DTWKUNHWSA-N -1 3 244.316 0.377 20 0 BCADHM C[C@@H](O)CCN(C)c1nc2nncc-2c(O)[n-]1 ZINC000356187194 387626000 /nfs/dbraw/zinc/62/60/00/387626000.db2.gz BPFRQPWBGFITQO-ZCFIWIBFSA-N -1 3 237.263 0.266 20 0 BCADHM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000122589962 387552143 /nfs/dbraw/zinc/55/21/43/387552143.db2.gz JUVRSXWOKBGYCF-QMMMGPOBSA-N -1 3 247.320 0.095 20 0 BCADHM C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000355741766 387575424 /nfs/dbraw/zinc/57/54/24/387575424.db2.gz LGAQGYLXXAJHQP-BBBLOLIVSA-N -1 3 238.335 0.975 20 0 BCADHM C[C@@H](CNC(=O)c1c[n-]nn1)C(F)(F)F ZINC000356426847 387657235 /nfs/dbraw/zinc/65/72/35/387657235.db2.gz KADCJWYVYJZVKF-BYPYZUCNSA-N -1 3 222.170 0.733 20 0 BCADHM C[C@@H](CNC(=O)c1cnn[n-]1)C(F)(F)F ZINC000356426847 387657239 /nfs/dbraw/zinc/65/72/39/387657239.db2.gz KADCJWYVYJZVKF-BYPYZUCNSA-N -1 3 222.170 0.733 20 0 BCADHM C[C@@H](CNC(=O)c1cn[n-]n1)C(F)(F)F ZINC000356426847 387657241 /nfs/dbraw/zinc/65/72/41/387657241.db2.gz KADCJWYVYJZVKF-BYPYZUCNSA-N -1 3 222.170 0.733 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@H]1CCOC1 ZINC000126559884 387689796 /nfs/dbraw/zinc/68/97/96/387689796.db2.gz JOAMZSOKLITDAO-YUMQZZPRSA-N -1 3 245.304 0.113 20 0 BCADHM Cc1c(C(=O)[N-]c2nc[nH]n2)nnn1C(C)C ZINC000431335245 387700502 /nfs/dbraw/zinc/70/05/02/387700502.db2.gz XKLQALOQVNNCPR-UHFFFAOYSA-N -1 3 235.251 0.538 20 0 BCADHM CC(C)n1cc(C(=O)[N-]c2nc[nH]n2)nn1 ZINC000431326610 387700541 /nfs/dbraw/zinc/70/05/41/387700541.db2.gz DAHFPQWSTWAMEG-UHFFFAOYSA-N -1 3 221.224 0.229 20 0 BCADHM O=c1[n-]nc(CN2CCC[C@H]3OCC[C@H]32)s1 ZINC000367458924 387711890 /nfs/dbraw/zinc/71/18/90/387711890.db2.gz PMBNFYBNMQTFNY-HTQZYQBOSA-N -1 3 241.316 0.997 20 0 BCADHM COC[C@H](C)CC(=O)Nc1nnc(OC)[n-]1 ZINC000129591697 387774535 /nfs/dbraw/zinc/77/45/35/387774535.db2.gz URHCXLFULZLOBY-ZCFIWIBFSA-N -1 3 228.252 0.424 20 0 BCADHM COC[C@H](C)CC(=O)Nc1n[n-]c(OC)n1 ZINC000129591697 387774541 /nfs/dbraw/zinc/77/45/41/387774541.db2.gz URHCXLFULZLOBY-ZCFIWIBFSA-N -1 3 228.252 0.424 20 0 BCADHM COC[C@H](C)CC(=O)Nc1nc(OC)n[n-]1 ZINC000129591697 387774543 /nfs/dbraw/zinc/77/45/43/387774543.db2.gz URHCXLFULZLOBY-ZCFIWIBFSA-N -1 3 228.252 0.424 20 0 BCADHM O=S(=O)([N-]CCC1CC(O)C1)c1ccco1 ZINC000432306119 387780840 /nfs/dbraw/zinc/78/08/40/387780840.db2.gz GOGRLCJPGUJJNC-UHFFFAOYSA-N -1 3 245.300 0.719 20 0 BCADHM C[C@H](CCO)[N-]S(=O)(=O)c1cscn1 ZINC000645559056 387818122 /nfs/dbraw/zinc/81/81/22/387818122.db2.gz VKEHJSKDOHGBQP-ZCFIWIBFSA-N -1 3 236.318 0.192 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CO)c(F)c1 ZINC000158142373 387930298 /nfs/dbraw/zinc/93/02/98/387930298.db2.gz SQZRMDLQKGBXEO-QMMMGPOBSA-N -1 3 247.291 0.793 20 0 BCADHM Cc1nncn1CCNC(=O)c1ccccc1[O-] ZINC000156212840 387941260 /nfs/dbraw/zinc/94/12/60/387941260.db2.gz DJUIOAJNFWVJSE-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM CCN(C)C(=O)CNC(=O)c1ccccc1[O-] ZINC000184469029 387947228 /nfs/dbraw/zinc/94/72/28/387947228.db2.gz YQQFRFLRJQQPIJ-UHFFFAOYSA-N -1 3 236.271 0.600 20 0 BCADHM COCC(C)(C)N1CCN([C@@H](C)C(=O)[O-])CC1 ZINC000424269162 387947654 /nfs/dbraw/zinc/94/76/54/387947654.db2.gz OUCNPCBDSDNSQQ-JTQLQIEISA-N -1 3 244.335 0.502 20 0 BCADHM O=S(=O)([N-]CC[C@H]1CCOC1)c1ccco1 ZINC000445736152 387962493 /nfs/dbraw/zinc/96/24/93/387962493.db2.gz YHOONMJLEUABGV-VIFPVBQESA-N -1 3 245.300 0.985 20 0 BCADHM CN(CCNC(=O)c1c[n-]nn1)c1ccccc1 ZINC000108286501 388024467 /nfs/dbraw/zinc/02/44/67/388024467.db2.gz IBJADNJJFQVOAR-UHFFFAOYSA-N -1 3 245.286 0.671 20 0 BCADHM CN(CCNC(=O)c1cnn[n-]1)c1ccccc1 ZINC000108286501 388024470 /nfs/dbraw/zinc/02/44/70/388024470.db2.gz IBJADNJJFQVOAR-UHFFFAOYSA-N -1 3 245.286 0.671 20 0 BCADHM CN(CCNC(=O)c1cn[n-]n1)c1ccccc1 ZINC000108286501 388024473 /nfs/dbraw/zinc/02/44/73/388024473.db2.gz IBJADNJJFQVOAR-UHFFFAOYSA-N -1 3 245.286 0.671 20 0 BCADHM CNC(=O)c1cccc(NC(=O)c2cnn[n-]2)c1 ZINC000108453145 388024823 /nfs/dbraw/zinc/02/48/23/388024823.db2.gz XYXBTPXXUATVOT-UHFFFAOYSA-N -1 3 245.242 0.417 20 0 BCADHM CNC(=O)c1cccc(NC(=O)c2c[n-]nn2)c1 ZINC000108453145 388024827 /nfs/dbraw/zinc/02/48/27/388024827.db2.gz XYXBTPXXUATVOT-UHFFFAOYSA-N -1 3 245.242 0.417 20 0 BCADHM CNC(=O)c1cccc(NC(=O)c2cn[n-]n2)c1 ZINC000108453145 388024829 /nfs/dbraw/zinc/02/48/29/388024829.db2.gz XYXBTPXXUATVOT-UHFFFAOYSA-N -1 3 245.242 0.417 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C1CCCC1 ZINC000646267201 388173474 /nfs/dbraw/zinc/17/34/74/388173474.db2.gz HHAXSJHACDJDLE-UHFFFAOYSA-N -1 3 220.236 0.581 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000646266198 388173681 /nfs/dbraw/zinc/17/36/81/388173681.db2.gz KOSSAGJMOOTKOP-ZMONIFLSSA-N -1 3 232.247 0.437 20 0 BCADHM CC(C)[C@@H](C)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000646268406 388173939 /nfs/dbraw/zinc/17/39/39/388173939.db2.gz YVQBOWWBDVHYQC-ZCFIWIBFSA-N -1 3 222.252 0.683 20 0 BCADHM [O-]c1cccnc1CN1CC[C@](O)(C(F)F)C1 ZINC000648720129 388134669 /nfs/dbraw/zinc/13/46/69/388134669.db2.gz NZAXZASSMAITTJ-LLVKDONJSA-N -1 3 244.241 0.989 20 0 BCADHM C[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC000459376174 388242300 /nfs/dbraw/zinc/24/23/00/388242300.db2.gz RBOLTDNCNWJGFZ-KCJUWKMLSA-N -1 3 249.314 0.872 20 0 BCADHM COc1nnc(NC(=O)C=Cc2ccc[nH]2)[n-]1 ZINC000492017032 388331606 /nfs/dbraw/zinc/33/16/06/388331606.db2.gz QKIYGDKOUDNMBN-PLNGDYQASA-N -1 3 233.231 0.793 20 0 BCADHM COc1nc(NC(=O)C=Cc2ccc[nH]2)n[n-]1 ZINC000492017032 388331607 /nfs/dbraw/zinc/33/16/07/388331607.db2.gz QKIYGDKOUDNMBN-PLNGDYQASA-N -1 3 233.231 0.793 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2ccc[nH]2)n1 ZINC000492017032 388331608 /nfs/dbraw/zinc/33/16/08/388331608.db2.gz QKIYGDKOUDNMBN-PLNGDYQASA-N -1 3 233.231 0.793 20 0 BCADHM Cc1ccc(/C=C/C(=O)[N-]OCCO)nc1 ZINC000491972391 388330157 /nfs/dbraw/zinc/33/01/57/388330157.db2.gz LCAFVJGRFYBXRG-SNAWJCMRSA-N -1 3 222.244 0.443 20 0 BCADHM Cc1cccnc1/C=C/C(=O)[N-]OCCO ZINC000491974953 388330234 /nfs/dbraw/zinc/33/02/34/388330234.db2.gz WTMTWLHQTGDCAP-SNAWJCMRSA-N -1 3 222.244 0.443 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CC[C@@H](O)C1 ZINC000492320093 388341378 /nfs/dbraw/zinc/34/13/78/388341378.db2.gz NRHZIHMYWVPNMF-JWXWKVPASA-N -1 3 234.255 0.394 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1nccc(C)n1 ZINC000524236482 388351713 /nfs/dbraw/zinc/35/17/13/388351713.db2.gz OJDBGICFWLNQJJ-VIFPVBQESA-N -1 3 233.275 0.709 20 0 BCADHM CCN(CC)CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000646413020 388352986 /nfs/dbraw/zinc/35/29/86/388352986.db2.gz OCTZWNOBJWBZIS-UHFFFAOYSA-N -1 3 226.280 0.704 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccnc1 ZINC000524396848 388357224 /nfs/dbraw/zinc/35/72/24/388357224.db2.gz GWXNCINVXSVXDT-JTQLQIEISA-N -1 3 246.270 0.323 20 0 BCADHM CS[C@@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000524397159 388358216 /nfs/dbraw/zinc/35/82/16/388358216.db2.gz KLPIOKBBLRCMGH-JGVFFNPUSA-N -1 3 243.332 0.366 20 0 BCADHM CN(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646596444 388392831 /nfs/dbraw/zinc/39/28/31/388392831.db2.gz LCJMANPZUGXKIU-UHFFFAOYSA-N -1 3 205.217 0.970 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCO[C@@H]2C[C@@H]21 ZINC000646734447 388443598 /nfs/dbraw/zinc/44/35/98/388443598.db2.gz HEFAGMOTAUPBDS-VHSXEESVSA-N -1 3 244.254 0.571 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCO[C@@H]2C[C@@H]21 ZINC000646734447 388443600 /nfs/dbraw/zinc/44/36/00/388443600.db2.gz HEFAGMOTAUPBDS-VHSXEESVSA-N -1 3 244.254 0.571 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCO[C@@H]2C[C@@H]21 ZINC000646734447 388443602 /nfs/dbraw/zinc/44/36/02/388443602.db2.gz HEFAGMOTAUPBDS-VHSXEESVSA-N -1 3 244.254 0.571 20 0 BCADHM COc1ccc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c([O-])c1 ZINC000526028903 388455845 /nfs/dbraw/zinc/45/58/45/388455845.db2.gz IWRGOZLRKDBNEC-IAZYJMLFSA-N -1 3 249.266 0.775 20 0 BCADHM CCN(C)CCNc1nc(C(=O)[O-])co1 ZINC000165888896 388412246 /nfs/dbraw/zinc/41/22/46/388412246.db2.gz WFLXRDHMVDDLIJ-UHFFFAOYSA-N -1 3 213.237 0.736 20 0 BCADHM CN(C)C1CN(C(=O)c2ccc(F)cc2[O-])C1 ZINC000134892502 388479930 /nfs/dbraw/zinc/47/99/30/388479930.db2.gz WKQWKBYHCYSWBY-UHFFFAOYSA-N -1 3 238.262 0.917 20 0 BCADHM O=S(=O)([N-]CC1COC1)c1ccccn1 ZINC000528562961 388547218 /nfs/dbraw/zinc/54/72/18/388547218.db2.gz APBIBYMQNWEOCZ-UHFFFAOYSA-N -1 3 228.273 0.006 20 0 BCADHM Cn1cnnc1C[S@@](=O)c1cccc([O-])c1 ZINC000547810301 388485869 /nfs/dbraw/zinc/48/58/69/388485869.db2.gz FMKAATCGLQMMGP-MRXNPFEDSA-N -1 3 237.284 0.829 20 0 BCADHM O=C(c1cncc([O-])c1)N1CCc2n[nH]nc2C1 ZINC000339901942 388487310 /nfs/dbraw/zinc/48/73/10/388487310.db2.gz UTMKGWKJTWCTDZ-UHFFFAOYSA-N -1 3 245.242 0.104 20 0 BCADHM C[C@H](CO)N(C)C(=O)c1cccc([O-])c1 ZINC000136121783 388523152 /nfs/dbraw/zinc/52/31/52/388523152.db2.gz IWLKCSUNLKQVDL-MRVPVSSYSA-N -1 3 209.245 0.845 20 0 BCADHM Cc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)co1 ZINC000548364820 388531610 /nfs/dbraw/zinc/53/16/10/388531610.db2.gz SIYDECQWXSXKCP-SNVBAGLBSA-N -1 3 249.270 0.830 20 0 BCADHM CCO[C@@]1(C)C[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000529857742 388592808 /nfs/dbraw/zinc/59/28/08/388592808.db2.gz MMAWHCIYWHHICE-KCJUWKMLSA-N -1 3 237.259 0.480 20 0 BCADHM O=C(NC[C@@H](O)C(F)F)c1ccccc1[O-] ZINC000220128760 388601395 /nfs/dbraw/zinc/60/13/95/388601395.db2.gz KWPGNAKLERUFAH-MRVPVSSYSA-N -1 3 231.198 0.748 20 0 BCADHM Cc1ccnc(CNC(=O)c2c[n-]nn2)c1 ZINC000328312884 388602296 /nfs/dbraw/zinc/60/22/96/388602296.db2.gz XFVLFSUKTMXDCW-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1ccnc(CNC(=O)c2cnn[n-]2)c1 ZINC000328312884 388602299 /nfs/dbraw/zinc/60/22/99/388602299.db2.gz XFVLFSUKTMXDCW-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1ccnc(CNC(=O)c2cn[n-]n2)c1 ZINC000328312884 388602300 /nfs/dbraw/zinc/60/23/00/388602300.db2.gz XFVLFSUKTMXDCW-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000360007562 388557984 /nfs/dbraw/zinc/55/79/84/388557984.db2.gz QMSNRJGRCBOVHK-ZETCQYMHSA-N -1 3 247.320 0.095 20 0 BCADHM O=C(NCCc1nnc[nH]1)c1ccccc1[O-] ZINC000080583297 388559138 /nfs/dbraw/zinc/55/91/38/388559138.db2.gz YMOMJQMOJSENFG-UHFFFAOYSA-N -1 3 232.243 0.483 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000528764920 388569042 /nfs/dbraw/zinc/56/90/42/388569042.db2.gz PBIHHOPEBCYOPN-XZMZPDFPSA-N -1 3 226.280 0.412 20 0 BCADHM O=C(c1ccc(O)cc1[O-])N1CCC(=O)CC1 ZINC000227553101 388753466 /nfs/dbraw/zinc/75/34/66/388753466.db2.gz KQNDKDWTJRDXOM-UHFFFAOYSA-N -1 3 235.239 0.903 20 0 BCADHM CC[C@@H](C)C[C@H](CO)NC(=O)c1c[n-]nn1 ZINC000649051013 388753665 /nfs/dbraw/zinc/75/36/65/388753665.db2.gz JQJBNPMAZNGCON-HTQZYQBOSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@@H](C)C[C@H](CO)NC(=O)c1cnn[n-]1 ZINC000649051013 388753668 /nfs/dbraw/zinc/75/36/68/388753668.db2.gz JQJBNPMAZNGCON-HTQZYQBOSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@@H](C)C[C@H](CO)NC(=O)c1cn[n-]n1 ZINC000649051013 388753671 /nfs/dbraw/zinc/75/36/71/388753671.db2.gz JQJBNPMAZNGCON-HTQZYQBOSA-N -1 3 226.280 0.332 20 0 BCADHM C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1ccccc1[O-] ZINC000194345488 388729268 /nfs/dbraw/zinc/72/92/68/388729268.db2.gz ALVHRABHMMCXJG-GZMMTYOYSA-N -1 3 248.282 0.647 20 0 BCADHM CC(C)n1cc(C(=O)[N-]c2ncn(C)n2)nn1 ZINC000554226704 388804520 /nfs/dbraw/zinc/80/45/20/388804520.db2.gz FJGPCHBMGBGLRE-UHFFFAOYSA-N -1 3 235.251 0.240 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1cn(C2CCC2)nn1 ZINC000648739920 388769126 /nfs/dbraw/zinc/76/91/26/388769126.db2.gz DEMQRWJVJVZLCV-UHFFFAOYSA-N -1 3 233.235 0.374 20 0 BCADHM C[C@H](Sc1n[n-]c(CO)n1)C(=O)C1CC1 ZINC000539709483 388771624 /nfs/dbraw/zinc/77/16/24/388771624.db2.gz PTLZQNMJFSDKAN-YFKPBYRVSA-N -1 3 227.289 0.757 20 0 BCADHM CCO[C@@H](CC)C(=O)Nc1n[n-]c(OC)n1 ZINC000540914581 388826549 /nfs/dbraw/zinc/82/65/49/388826549.db2.gz KEZDPHYMOZXHEZ-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCO[C@@H](CC)C(=O)Nc1nnc(OC)[n-]1 ZINC000540914581 388826551 /nfs/dbraw/zinc/82/65/51/388826551.db2.gz KEZDPHYMOZXHEZ-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCO[C@@H](CC)C(=O)Nc1nc(OC)n[n-]1 ZINC000540914581 388826554 /nfs/dbraw/zinc/82/65/54/388826554.db2.gz KEZDPHYMOZXHEZ-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CC=CCC1 ZINC000523688363 388853352 /nfs/dbraw/zinc/85/33/52/388853352.db2.gz SMJZJIMPCPHJTB-WDEREUQCSA-N -1 3 249.314 0.971 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)C(C)C ZINC000523694397 388854005 /nfs/dbraw/zinc/85/40/05/388854005.db2.gz OVHLWPVVYGGLEZ-WCBMZHEXSA-N -1 3 239.319 0.907 20 0 BCADHM Cc1cc(C)nc(Sc2nnc(CO)[n-]2)n1 ZINC000555332907 388847147 /nfs/dbraw/zinc/84/71/47/388847147.db2.gz OGGKFRLZKHAVMO-UHFFFAOYSA-N -1 3 237.288 0.855 20 0 BCADHM Cc1cc(C)nc(Sc2nc(CO)n[n-]2)n1 ZINC000555332907 388847151 /nfs/dbraw/zinc/84/71/51/388847151.db2.gz OGGKFRLZKHAVMO-UHFFFAOYSA-N -1 3 237.288 0.855 20 0 BCADHM Cc1cc(C)nc(Sc2n[n-]c(CO)n2)n1 ZINC000555332907 388847154 /nfs/dbraw/zinc/84/71/54/388847154.db2.gz OGGKFRLZKHAVMO-UHFFFAOYSA-N -1 3 237.288 0.855 20 0 BCADHM Cc1ncc(CNC(=O)NC2CC2)c(=O)[n-]1 ZINC000541333006 388850639 /nfs/dbraw/zinc/85/06/39/388850639.db2.gz XVNWRLUSAHKPTJ-UHFFFAOYSA-N -1 3 222.248 0.452 20 0 BCADHM CCC[C@@H](C)[C@@H](CO)NC(=O)c1c[n-]nn1 ZINC000564660928 388882934 /nfs/dbraw/zinc/88/29/34/388882934.db2.gz BLFNMTBBEFMMQK-VXNVDRBHSA-N -1 3 226.280 0.332 20 0 BCADHM CCC[C@@H](C)[C@@H](CO)NC(=O)c1cnn[n-]1 ZINC000564660928 388882936 /nfs/dbraw/zinc/88/29/36/388882936.db2.gz BLFNMTBBEFMMQK-VXNVDRBHSA-N -1 3 226.280 0.332 20 0 BCADHM CCC[C@@H](C)[C@@H](CO)NC(=O)c1cn[n-]n1 ZINC000564660928 388882937 /nfs/dbraw/zinc/88/29/37/388882937.db2.gz BLFNMTBBEFMMQK-VXNVDRBHSA-N -1 3 226.280 0.332 20 0 BCADHM C[C@@H](NCc1nc(=O)[n-][nH]1)c1cccc(O)c1 ZINC000271849485 389025448 /nfs/dbraw/zinc/02/54/48/389025448.db2.gz WBJBDSKQBVKLRU-SSDOTTSWSA-N -1 3 234.259 0.654 20 0 BCADHM CCOCCNc1nc2nncc-2c(O)[n-]1 ZINC000274645272 389047882 /nfs/dbraw/zinc/04/78/82/389047882.db2.gz GBUYVVGOKPPZRL-UHFFFAOYSA-N -1 3 223.236 0.507 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)CC1CCC1 ZINC000332053866 168209196 /nfs/dbraw/zinc/20/91/96/168209196.db2.gz MQRPIZQYYDJMSG-UHFFFAOYSA-N -1 3 219.306 0.685 20 0 BCADHM C[C@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)C[C@H](C)O1 ZINC000341923828 132226772 /nfs/dbraw/zinc/22/67/72/132226772.db2.gz DFODZFMHSNGXMI-BQBZGAKWSA-N -1 3 248.290 0.331 20 0 BCADHM C[C@@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)C[C@@H](C)O1 ZINC000341923845 132226888 /nfs/dbraw/zinc/22/68/88/132226888.db2.gz DFODZFMHSNGXMI-RNFRBKRXSA-N -1 3 248.290 0.331 20 0 BCADHM C[C@H]1OCCN(c2nc3[nH][n-]cc-3c(=N)n2)[C@H]1C ZINC000354571490 132269905 /nfs/dbraw/zinc/26/99/05/132269905.db2.gz PZSQIMDKJLPNOG-NKWVEPMBSA-N -1 3 248.290 0.331 20 0 BCADHM C[C@@]1(O)CCCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354566052 132269908 /nfs/dbraw/zinc/26/99/08/132269908.db2.gz KUKZYWDNLOYTRS-LLVKDONJSA-N -1 3 248.290 0.068 20 0 BCADHM CC(C)CC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947832 133537895 /nfs/dbraw/zinc/53/78/95/133537895.db2.gz ASULQVJDAVJYSK-UHFFFAOYSA-N -1 3 217.294 0.734 20 0 BCADHM CCc1[n-][nH]c(=NC(=O)Nc2ccon2)c1C ZINC000335964389 134027764 /nfs/dbraw/zinc/02/77/64/134027764.db2.gz CXERGZOZIHMWFF-UHFFFAOYSA-N -1 3 235.247 0.756 20 0 BCADHM Cn1[n-]c(CN2CCC[C@H](C3CC3)C2)nc1=O ZINC000335992366 134040640 /nfs/dbraw/zinc/04/06/40/134040640.db2.gz UNVPHPBKPGYCHH-JTQLQIEISA-N -1 3 236.319 0.730 20 0 BCADHM CCN1CCN(C(=O)c2cccc([O-])c2)CC1=O ZINC000336001644 134047265 /nfs/dbraw/zinc/04/72/65/134047265.db2.gz AGDGQTYYUDUDNK-UHFFFAOYSA-N -1 3 248.282 0.697 20 0 BCADHM Cc1nn(C)cc1[C@H](C)NC(=O)c1c[n-]nn1 ZINC000171077615 134256954 /nfs/dbraw/zinc/25/69/54/134256954.db2.gz QGACNWQJPWHRSQ-LURJTMIESA-N -1 3 234.263 0.338 20 0 BCADHM Cc1nn(C)cc1[C@H](C)NC(=O)c1cnn[n-]1 ZINC000171077615 134256955 /nfs/dbraw/zinc/25/69/55/134256955.db2.gz QGACNWQJPWHRSQ-LURJTMIESA-N -1 3 234.263 0.338 20 0 BCADHM Cc1nn(C)cc1[C@H](C)NC(=O)c1cn[n-]n1 ZINC000171077615 134256956 /nfs/dbraw/zinc/25/69/56/134256956.db2.gz QGACNWQJPWHRSQ-LURJTMIESA-N -1 3 234.263 0.338 20 0 BCADHM Cc1nn(C)cc1[C@@H](C)NC(=O)c1c[n-]nn1 ZINC000171077608 134257130 /nfs/dbraw/zinc/25/71/30/134257130.db2.gz QGACNWQJPWHRSQ-ZCFIWIBFSA-N -1 3 234.263 0.338 20 0 BCADHM Cc1nn(C)cc1[C@@H](C)NC(=O)c1cnn[n-]1 ZINC000171077608 134257131 /nfs/dbraw/zinc/25/71/31/134257131.db2.gz QGACNWQJPWHRSQ-ZCFIWIBFSA-N -1 3 234.263 0.338 20 0 BCADHM Cc1nn(C)cc1[C@@H](C)NC(=O)c1cn[n-]n1 ZINC000171077608 134257132 /nfs/dbraw/zinc/25/71/32/134257132.db2.gz QGACNWQJPWHRSQ-ZCFIWIBFSA-N -1 3 234.263 0.338 20 0 BCADHM CCC[C@@H](C)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176757562 134294199 /nfs/dbraw/zinc/29/41/99/134294199.db2.gz WTKMBSHXAFSUOV-MRVPVSSYSA-N -1 3 240.307 0.583 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@@H]1Cc2ccccc2O1 ZINC000185464334 134380519 /nfs/dbraw/zinc/38/05/19/134380519.db2.gz MTRBCLVDAALUJF-JTQLQIEISA-N -1 3 244.254 0.757 20 0 BCADHM O=S(=O)([N-]CCOCC1CC1)c1c[nH]cn1 ZINC000227768259 134392940 /nfs/dbraw/zinc/39/29/40/134392940.db2.gz UZCGFMAFZAKIRH-UHFFFAOYSA-N -1 3 245.304 0.115 20 0 BCADHM C[C@H]1C[C@@H](C(=O)Nc2ncccc2[O-])CC(=O)N1 ZINC000408162574 134416795 /nfs/dbraw/zinc/41/67/95/134416795.db2.gz XOAQVIQIFKGVEI-JGVFFNPUSA-N -1 3 249.270 0.640 20 0 BCADHM Cc1cnc(NC(=O)c2nnc[n-]2)s1 ZINC000087441480 135141212 /nfs/dbraw/zinc/14/12/12/135141212.db2.gz CJLZIAHTUKHACD-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1cnc(NC(=O)c2nc[n-]n2)s1 ZINC000087441480 135141213 /nfs/dbraw/zinc/14/12/13/135141213.db2.gz CJLZIAHTUKHACD-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM CCC[C@@H]1CN(CCC(=O)[O-])CCO1 ZINC000261530402 135157157 /nfs/dbraw/zinc/15/71/57/135157157.db2.gz ZNRYGDKBPOXHAY-SECBINFHSA-N -1 3 201.266 0.962 20 0 BCADHM NCC(F)(F)C[N-]S(=O)(=O)CCC1CC1 ZINC000261538751 135176909 /nfs/dbraw/zinc/17/69/09/135176909.db2.gz ZDKHARYBESSAHR-UHFFFAOYSA-N -1 3 242.291 0.300 20 0 BCADHM CCCN(C)CC(=O)N(CC(=O)[O-])C(C)C ZINC000261588389 135229651 /nfs/dbraw/zinc/22/96/51/135229651.db2.gz SITWNIBPRMUFLV-UHFFFAOYSA-N -1 3 230.308 0.650 20 0 BCADHM CCN(CC)CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000261592382 135232623 /nfs/dbraw/zinc/23/26/23/135232623.db2.gz VUEVGVVYDBBUNB-SECBINFHSA-N -1 3 228.292 0.404 20 0 BCADHM COc1ccc([C@H](CO)N(C)CC(=O)[O-])cc1 ZINC000262220020 135285213 /nfs/dbraw/zinc/28/52/13/135285213.db2.gz KHMWPLGIVJGWQQ-NSHDSACASA-N -1 3 239.271 0.745 20 0 BCADHM CC[C@@H]1CN([C@@H](C)C(=O)[O-])CCN1C[C@H](C)O ZINC000262273517 135289188 /nfs/dbraw/zinc/28/91/88/135289188.db2.gz UESLWGWLQJKFIO-GARJFASQSA-N -1 3 244.335 0.237 20 0 BCADHM C[C@@H]1CCCN(CC(=O)NCC(=O)[O-])[C@H]1C ZINC000262208325 135289556 /nfs/dbraw/zinc/28/95/56/135289556.db2.gz JHMNDULQKDQACE-BDAKNGLRSA-N -1 3 228.292 0.308 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCOC2(CCOCC2)C1 ZINC000262362649 135297127 /nfs/dbraw/zinc/29/71/27/135297127.db2.gz IUYBKLZRRXZWSE-SNVBAGLBSA-N -1 3 243.303 0.731 20 0 BCADHM C[C@H](C(=O)[O-])N(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000262852342 135321927 /nfs/dbraw/zinc/32/19/27/135321927.db2.gz GOFAVOJXZSIDEP-KXUCPTDWSA-N -1 3 242.319 0.791 20 0 BCADHM C[C@H]1CC[C@H](C)N1CC(=O)N(C)CCC(=O)[O-] ZINC000262867040 135321992 /nfs/dbraw/zinc/32/19/92/135321992.db2.gz IHGJTXJKUQTLIG-UWVGGRQHSA-N -1 3 242.319 0.792 20 0 BCADHM Cc1cnc(C(=O)N(C)Cc2nnc[nH]2)c([O-])c1 ZINC000343130468 135359289 /nfs/dbraw/zinc/35/92/89/135359289.db2.gz NSBALIQTXLKNDF-UHFFFAOYSA-N -1 3 247.258 0.486 20 0 BCADHM CCCCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000334386947 135382984 /nfs/dbraw/zinc/38/29/84/135382984.db2.gz OYIZZUSFJMGNAJ-QMMMGPOBSA-N -1 3 211.265 0.023 20 0 BCADHM CC[C@@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000078688802 135394684 /nfs/dbraw/zinc/39/46/84/135394684.db2.gz NHGQBAWMXPZYFF-ZCFIWIBFSA-N -1 3 203.267 0.487 20 0 BCADHM CNC(=O)CC(=O)N1CCCc2cccc([O-])c21 ZINC000334787866 135813107 /nfs/dbraw/zinc/81/31/07/135813107.db2.gz ZZGIKGTVCAGNNU-UHFFFAOYSA-N -1 3 248.282 0.808 20 0 BCADHM C[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC000335328300 136052624 /nfs/dbraw/zinc/05/26/24/136052624.db2.gz JCLUIIXKTZHCES-OCAPTIKFSA-N -1 3 210.281 0.196 20 0 BCADHM C[C@@H]1CN(Cc2nn(C)c(=O)[n-]2)C[C@H]1C ZINC000335328299 136052696 /nfs/dbraw/zinc/05/26/96/136052696.db2.gz JCLUIIXKTZHCES-HTQZYQBOSA-N -1 3 210.281 0.196 20 0 BCADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccn(C)n2)C1 ZINC000335382173 136087734 /nfs/dbraw/zinc/08/77/34/136087734.db2.gz ZIXZWSMPLFXEAV-IUCAKERBSA-N -1 3 243.332 0.887 20 0 BCADHM CN(Cc1cc([O-])cc(F)c1)[C@@H]1COC[C@@H]1O ZINC000348631850 136105472 /nfs/dbraw/zinc/10/54/72/136105472.db2.gz FYZSJNAYTCELBJ-NEPJUHHUSA-N -1 3 241.262 0.723 20 0 BCADHM CN(Cc1cc([O-])cc(F)c1)[C@H]1COC[C@@H]1O ZINC000348631852 136105502 /nfs/dbraw/zinc/10/55/02/136105502.db2.gz FYZSJNAYTCELBJ-RYUDHWBXSA-N -1 3 241.262 0.723 20 0 BCADHM O=S(=O)([N-][C@@H]1CC[C@H]1O)c1ccccc1F ZINC000335565278 136107417 /nfs/dbraw/zinc/10/74/17/136107417.db2.gz RBZSDODNWDLBEF-RKDXNWHRSA-N -1 3 245.275 0.627 20 0 BCADHM Cc1ccc(C(=O)NN2CCCNC2=O)c([O-])c1 ZINC000272622487 397980661 /nfs/dbraw/zinc/98/06/61/397980661.db2.gz UWTZALAVQRZYHW-UHFFFAOYSA-N -1 3 249.270 0.761 20 0 BCADHM CC(C)(C)c1noc([C@H]2CCS(=O)(=O)[N-]2)n1 ZINC000650207110 397985338 /nfs/dbraw/zinc/98/53/38/397985338.db2.gz CNVWDYQGUUYDGE-ZCFIWIBFSA-N -1 3 245.304 0.731 20 0 BCADHM Cc1nnsc1C[N-]S(=O)(=O)CC1CC1 ZINC000292095584 398101170 /nfs/dbraw/zinc/10/11/70/398101170.db2.gz TWCIMNYPGLAARP-UHFFFAOYSA-N -1 3 247.345 0.676 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CCNC(=O)CC2)c1 ZINC000059894557 398106293 /nfs/dbraw/zinc/10/62/93/398106293.db2.gz UVMGYGSYMDEXJZ-UHFFFAOYSA-N -1 3 248.282 0.663 20 0 BCADHM COCCS(=O)(=O)[N-]Cc1ncoc1C ZINC000330535522 174373137 /nfs/dbraw/zinc/37/31/37/174373137.db2.gz OYAWZPXNULCGNI-UHFFFAOYSA-N -1 3 234.277 0.049 20 0 BCADHM Cn1[n-]c(CN2CCC3(CC3)CC2)nc1=O ZINC000680377398 487579246 /nfs/dbraw/zinc/57/92/46/487579246.db2.gz MOGMCTLMPVZERO-UHFFFAOYSA-N -1 3 222.292 0.484 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2c[n-]nn2)C12CCC2 ZINC000655318205 409890673 /nfs/dbraw/zinc/89/06/73/409890673.db2.gz BTEYFWBUGITRHG-IUCAKERBSA-N -1 3 236.275 0.492 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2cnn[n-]2)C12CCC2 ZINC000655318205 409890681 /nfs/dbraw/zinc/89/06/81/409890681.db2.gz BTEYFWBUGITRHG-IUCAKERBSA-N -1 3 236.275 0.492 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2cn[n-]n2)C12CCC2 ZINC000655318205 409890687 /nfs/dbraw/zinc/89/06/87/409890687.db2.gz BTEYFWBUGITRHG-IUCAKERBSA-N -1 3 236.275 0.492 20 0 BCADHM CCN(C(=O)c1nnc[n-]1)c1cnn(C)c1 ZINC000655332366 409900423 /nfs/dbraw/zinc/90/04/23/409900423.db2.gz HDATYPBXONDKNM-UHFFFAOYSA-N -1 3 220.236 0.205 20 0 BCADHM CCN(C(=O)c1nc[n-]n1)c1cnn(C)c1 ZINC000655332366 409900431 /nfs/dbraw/zinc/90/04/31/409900431.db2.gz HDATYPBXONDKNM-UHFFFAOYSA-N -1 3 220.236 0.205 20 0 BCADHM CS(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000070223603 410014820 /nfs/dbraw/zinc/01/48/20/410014820.db2.gz LHOQVQOKQMQZFB-UHFFFAOYSA-N -1 3 211.246 0.934 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000655407398 410210735 /nfs/dbraw/zinc/21/07/35/410210735.db2.gz IJPNKFROTDCCSK-UTUOFQBUSA-N -1 3 248.282 0.766 20 0 BCADHM C[C@H](CCO)N(C)C(=O)Cc1cncc([O-])c1 ZINC000655407200 410211093 /nfs/dbraw/zinc/21/10/93/410211093.db2.gz KOBGPFZVVQJFIB-SECBINFHSA-N -1 3 238.287 0.559 20 0 BCADHM O=C(Cc1cncc([O-])c1)N[C@@H](CO)CCF ZINC000655407641 410211751 /nfs/dbraw/zinc/21/17/51/410211751.db2.gz YVRYUODXUFHPFF-SECBINFHSA-N -1 3 242.250 0.166 20 0 BCADHM CC(C)Oc1cncc(NC(=O)c2nnc[n-]2)n1 ZINC000655409303 410212833 /nfs/dbraw/zinc/21/28/33/410212833.db2.gz PGSXHUAWYHTHAN-UHFFFAOYSA-N -1 3 248.246 0.634 20 0 BCADHM CC(C)Oc1cncc(NC(=O)c2nc[n-]n2)n1 ZINC000655409303 410212837 /nfs/dbraw/zinc/21/28/37/410212837.db2.gz PGSXHUAWYHTHAN-UHFFFAOYSA-N -1 3 248.246 0.634 20 0 BCADHM C[C@@H](O)C[C@@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000655392848 410194796 /nfs/dbraw/zinc/19/47/96/410194796.db2.gz AUBFZRWJXBGPHP-RKDXNWHRSA-N -1 3 238.287 0.605 20 0 BCADHM CC[C@@H](CNC(=O)Cc1cncc([O-])c1)OC ZINC000655400426 410206265 /nfs/dbraw/zinc/20/62/65/410206265.db2.gz YRXOUVSHXNKOKV-NSHDSACASA-N -1 3 238.287 0.871 20 0 BCADHM CC(C)C(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061125821 166706698 /nfs/dbraw/zinc/70/66/98/166706698.db2.gz KRZXIEMWFZDEPK-UHFFFAOYSA-N -1 3 228.292 0.261 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]Cc1conc1C ZINC000632397736 410734025 /nfs/dbraw/zinc/73/40/25/410734025.db2.gz KAKGEWQIUZRGLR-SSDOTTSWSA-N -1 3 248.304 0.437 20 0 BCADHM COC(=O)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000255383110 322927651 /nfs/dbraw/zinc/92/76/51/322927651.db2.gz HGMKYBAZATWQKF-IHWYPQMZSA-N -1 3 236.227 0.090 20 0 BCADHM CCn1c(=O)[n-]nc1SC[C@@H]1CCC(=O)N1 ZINC000651182032 410849646 /nfs/dbraw/zinc/84/96/46/410849646.db2.gz JEDLYQICUPHBAV-LURJTMIESA-N -1 3 242.304 0.374 20 0 BCADHM CC(C)CNC(=O)c1csc(=O)[n-]1 ZINC000306440949 167000896 /nfs/dbraw/zinc/00/08/96/167000896.db2.gz OIOASMQNQNRONN-UHFFFAOYSA-N -1 3 200.263 0.822 20 0 BCADHM C[C@@H](CCO)N(C)c1nc2nncc-2c(O)[n-]1 ZINC000651471304 411051610 /nfs/dbraw/zinc/05/16/10/411051610.db2.gz PIRDCCFORFQENZ-LURJTMIESA-N -1 3 237.263 0.266 20 0 BCADHM CC(C)c1noc(=NC[C@@H]2CNCCO2)[n-]1 ZINC000333729059 167657731 /nfs/dbraw/zinc/65/77/31/167657731.db2.gz VVTAMNOQSFFPHR-QMMMGPOBSA-N -1 3 226.280 0.015 20 0 BCADHM O=S(=O)([N-][C@H](CO)CCF)c1ccoc1 ZINC000651893929 411149345 /nfs/dbraw/zinc/14/93/45/411149345.db2.gz LMOTVBIXCFSMAC-ZETCQYMHSA-N -1 3 237.252 0.278 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C2(C)CC=CC2)c1 ZINC000655628475 411184946 /nfs/dbraw/zinc/18/49/46/411184946.db2.gz ZDUSBZDGJLILMA-UHFFFAOYSA-N -1 3 241.316 0.807 20 0 BCADHM CO[C@@](C)(CO)C[N-]c1nnc(C(F)F)o1 ZINC000656208091 411209768 /nfs/dbraw/zinc/20/97/68/411209768.db2.gz KZUCIQBXUSHAII-MRVPVSSYSA-N -1 3 237.206 0.817 20 0 BCADHM CCN(C(=O)CN(C)C(C)C)[C@@H](C)C(=O)[O-] ZINC000659771608 411223852 /nfs/dbraw/zinc/22/38/52/411223852.db2.gz MRKZIWKYVZPMPN-VIFPVBQESA-N -1 3 230.308 0.648 20 0 BCADHM O=C1[N-]C(=O)N2CCN(CCC3CCC3)C[C@H]12 ZINC000660148249 411264207 /nfs/dbraw/zinc/26/42/07/411264207.db2.gz TXXJUWKIHUPALR-SNVBAGLBSA-N -1 3 237.303 0.413 20 0 BCADHM OC[C@@H](CN=c1ncnc2[nH][n-]cc1-2)CC1CC1 ZINC000656473447 411277280 /nfs/dbraw/zinc/27/72/80/411277280.db2.gz NTZQYWILUSHMDH-SECBINFHSA-N -1 3 247.302 0.547 20 0 BCADHM COC[C@H](CN1CCSC[C@H]1C(=O)[O-])OC ZINC000659789246 411278439 /nfs/dbraw/zinc/27/84/39/411278439.db2.gz ABHUJFGBJFGEQX-IUCAKERBSA-N -1 3 249.332 0.150 20 0 BCADHM O=C(Cn1cncn1)Nc1ncccc1[O-] ZINC000656494981 411283785 /nfs/dbraw/zinc/28/37/85/411283785.db2.gz KWKHJTDCVFJPTD-UHFFFAOYSA-N -1 3 219.204 0.017 20 0 BCADHM CC(C)CCNC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000068324404 411301505 /nfs/dbraw/zinc/30/15/05/411301505.db2.gz MPFRACDPABDHLC-QMMMGPOBSA-N -1 3 241.291 0.137 20 0 BCADHM CN(Cc1nnnn1C)C(=O)c1cccc([O-])c1 ZINC000357404584 411307176 /nfs/dbraw/zinc/30/71/76/411307176.db2.gz AFNCVMXOQLJVJJ-UHFFFAOYSA-N -1 3 247.258 0.188 20 0 BCADHM CC[C@H](NCc1nc(=O)n(C)[n-]1)C1CC1 ZINC000661762934 411308092 /nfs/dbraw/zinc/30/80/92/411308092.db2.gz XQNVPHMWUAIWDV-QMMMGPOBSA-N -1 3 210.281 0.387 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1nnc(C)s1 ZINC000614581226 411249504 /nfs/dbraw/zinc/24/95/04/411249504.db2.gz HSHMJLUTZKHGIG-UHFFFAOYSA-N -1 3 238.276 0.710 20 0 BCADHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c[n-]nn1 ZINC000403327129 411342100 /nfs/dbraw/zinc/34/21/00/411342100.db2.gz OVERGWFHPISQLS-BWZBUEFSSA-N -1 3 206.249 0.723 20 0 BCADHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cnn[n-]1 ZINC000403327129 411342103 /nfs/dbraw/zinc/34/21/03/411342103.db2.gz OVERGWFHPISQLS-BWZBUEFSSA-N -1 3 206.249 0.723 20 0 BCADHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cn[n-]n1 ZINC000403327129 411342107 /nfs/dbraw/zinc/34/21/07/411342107.db2.gz OVERGWFHPISQLS-BWZBUEFSSA-N -1 3 206.249 0.723 20 0 BCADHM CC1(O)CN(C(=O)c2c([O-])cccc2O)C1 ZINC000232436099 168068627 /nfs/dbraw/zinc/06/86/27/168068627.db2.gz RJRRQXYSWYRUEK-UHFFFAOYSA-N -1 3 223.228 0.305 20 0 BCADHM CC1(O)CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000089645155 168070152 /nfs/dbraw/zinc/07/01/52/168070152.db2.gz LHDMGHKRFBYOGG-UHFFFAOYSA-N -1 3 232.243 0.165 20 0 BCADHM O=C([O-])CN1CC[C@H](N2CCCCCC2)C1=O ZINC000662201907 411377099 /nfs/dbraw/zinc/37/70/99/411377099.db2.gz VOMVEZZHGIZITN-JTQLQIEISA-N -1 3 240.303 0.548 20 0 BCADHM C[C@H]1CCCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662200384 411375501 /nfs/dbraw/zinc/37/55/01/411375501.db2.gz HUKWIZNVUXMECG-VHSXEESVSA-N -1 3 240.303 0.546 20 0 BCADHM CC[C@H]1CC[C@H](C(=O)Nc2nnc(OC)[n-]2)O1 ZINC000272457680 411433547 /nfs/dbraw/zinc/43/35/47/411433547.db2.gz KECBFKXVDZMEDD-NKWVEPMBSA-N -1 3 240.263 0.709 20 0 BCADHM CC[C@H]1CC[C@H](C(=O)Nc2n[n-]c(OC)n2)O1 ZINC000272457680 411433548 /nfs/dbraw/zinc/43/35/48/411433548.db2.gz KECBFKXVDZMEDD-NKWVEPMBSA-N -1 3 240.263 0.709 20 0 BCADHM CC[C@H]1CC[C@H](C(=O)Nc2nc(OC)n[n-]2)O1 ZINC000272457680 411433549 /nfs/dbraw/zinc/43/35/49/411433549.db2.gz KECBFKXVDZMEDD-NKWVEPMBSA-N -1 3 240.263 0.709 20 0 BCADHM CCCCS(=O)(=O)[N-]Cc1cc(OC)no1 ZINC000660015058 411528485 /nfs/dbraw/zinc/52/84/85/411528485.db2.gz ZQMGNLBNKGVXMT-UHFFFAOYSA-N -1 3 248.304 0.903 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@]2(C)CC2(C)C)n1 ZINC000660051401 411531941 /nfs/dbraw/zinc/53/19/41/411531941.db2.gz XIKWVACMKCPMAE-SNVBAGLBSA-N -1 3 243.332 0.887 20 0 BCADHM CCN1C[C@@H](C(=O)[N-]C2=NCCS2)CC1=O ZINC000298267384 170026730 /nfs/dbraw/zinc/02/67/30/170026730.db2.gz BLCYWDYZUJAXMT-ZETCQYMHSA-N -1 3 241.316 0.074 20 0 BCADHM CCNC(=O)COc1ccc2c([O-])coc2c1 ZINC000057524307 170068600 /nfs/dbraw/zinc/06/86/00/170068600.db2.gz HGUZLGNAISRJML-UHFFFAOYSA-N -1 3 235.239 0.777 20 0 BCADHM CCNC(=O)CS(=O)(=O)c1cccc([O-])c1 ZINC000183981724 170068620 /nfs/dbraw/zinc/06/86/20/170068620.db2.gz NVRKAVGUWUFYCG-UHFFFAOYSA-N -1 3 243.284 0.302 20 0 BCADHM CC[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000335137486 170136773 /nfs/dbraw/zinc/13/67/73/170136773.db2.gz HFBIFJARDLMYMK-UHFFFAOYSA-N -1 3 231.321 0.842 20 0 BCADHM CC[N-]S(=O)(=O)c1cccc2nonc21 ZINC000000105007 170136857 /nfs/dbraw/zinc/13/68/57/170136857.db2.gz HIWSDSPEDKYBHI-UHFFFAOYSA-N -1 3 227.245 0.521 20 0 BCADHM CC(C)=CCCN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000660146540 411545720 /nfs/dbraw/zinc/54/57/20/411545720.db2.gz HENFZHNQFHIMQX-SNVBAGLBSA-N -1 3 237.303 0.579 20 0 BCADHM CCOC(=O)CC[N-]S(=O)(=O)c1ccco1 ZINC000275447878 170209749 /nfs/dbraw/zinc/20/97/49/170209749.db2.gz IBHJICFWAJXDRW-UHFFFAOYSA-N -1 3 247.272 0.511 20 0 BCADHM CCOCC(=O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000275014573 170338336 /nfs/dbraw/zinc/33/83/36/170338336.db2.gz RKNRLGRJXQAGDS-UHFFFAOYSA-N -1 3 246.650 0.208 20 0 BCADHM CCOCCC(=O)NCc1ncccc1[O-] ZINC000352501617 170361188 /nfs/dbraw/zinc/36/11/88/170361188.db2.gz PBBFLIIAGKMYQW-UHFFFAOYSA-N -1 3 224.260 0.830 20 0 BCADHM CCOCCN(C)C(=O)c1csc(=O)[n-]1 ZINC000330967448 170388101 /nfs/dbraw/zinc/38/81/01/170388101.db2.gz BJLUPTBOHBDPNM-UHFFFAOYSA-N -1 3 230.289 0.957 20 0 BCADHM CCOCCN(C)Cc1nc(CC)cc(=O)[n-]1 ZINC000093312041 170391241 /nfs/dbraw/zinc/39/12/41/170391241.db2.gz SGPMVWWJHSCCRC-UHFFFAOYSA-N -1 3 239.319 0.801 20 0 BCADHM CCN1CCC(Nc2nc(C(=O)[O-])co2)CC1 ZINC000387352760 411627849 /nfs/dbraw/zinc/62/78/49/411627849.db2.gz IVXDHDCRRMEYGA-UHFFFAOYSA-N -1 3 239.275 1.269 20 0 BCADHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@H](C)O)n1 ZINC000660749800 411620860 /nfs/dbraw/zinc/62/08/60/411620860.db2.gz QDPIIEOXDLNADK-QMMMGPOBSA-N -1 3 225.292 0.696 20 0 BCADHM Cc1cc(=O)[n-]c(C(C)(C)NCCCO)n1 ZINC000660745335 411620905 /nfs/dbraw/zinc/62/09/05/411620905.db2.gz LFRIMQNMMUGOJQ-UHFFFAOYSA-N -1 3 225.292 0.698 20 0 BCADHM CCOCc1nnc([N-]CC2(F)CC2)o1 ZINC000379996880 411711035 /nfs/dbraw/zinc/71/10/35/411711035.db2.gz JYVFUJRQEVRDNY-UHFFFAOYSA-N -1 3 215.228 1.520 20 0 BCADHM CCO[C@@H]1COC[C@H]1[N-]c1nnc(C2CC2)o1 ZINC000574031135 411713389 /nfs/dbraw/zinc/71/33/89/411713389.db2.gz LPUKVKUDGPKACR-RKDXNWHRSA-N -1 3 239.275 1.163 20 0 BCADHM O=C([N-]c1nncs1)c1ccnc(C2CC2)n1 ZINC000351505705 411662381 /nfs/dbraw/zinc/66/23/81/411662381.db2.gz BYFHHGDYWURDKN-UHFFFAOYSA-N -1 3 247.283 1.458 20 0 BCADHM CO[C@@H]1COC[C@H]1[N-]c1nnc(C2CC2)o1 ZINC000567768361 411670660 /nfs/dbraw/zinc/67/06/60/411670660.db2.gz LPMPOQQXMDNLOV-HTQZYQBOSA-N -1 3 225.248 0.773 20 0 BCADHM Cc1ncc(CNc2ncc(F)cn2)c(=O)[n-]1 ZINC000343594969 411782596 /nfs/dbraw/zinc/78/25/96/411782596.db2.gz FOCFECOGDHVGQF-UHFFFAOYSA-N -1 3 235.222 1.032 20 0 BCADHM [O-]c1coc2cc(OCCOCCO)ccc12 ZINC000664134234 411866121 /nfs/dbraw/zinc/86/61/21/411866121.db2.gz GGMOSDUQZXTWBY-UHFFFAOYSA-N -1 3 238.239 0.649 20 0 BCADHM COC1(CN=c2nc3[nH][n-]cc-3c(N)n2)CCC1 ZINC000354583422 411861239 /nfs/dbraw/zinc/86/12/39/411861239.db2.gz VSOVQIPSTVCVBL-UHFFFAOYSA-N -1 3 248.290 0.290 20 0 BCADHM CC1(C)CC[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000553705412 411887707 /nfs/dbraw/zinc/88/77/07/411887707.db2.gz DEZKSSRWWWHPLK-ZETCQYMHSA-N -1 3 232.291 0.909 20 0 BCADHM CCNC(=O)C[N-]c1nnc(C(C)C)o1 ZINC000664284456 411911527 /nfs/dbraw/zinc/91/15/27/411911527.db2.gz RABSUIVXFSXPBQ-UHFFFAOYSA-N -1 3 212.253 0.741 20 0 BCADHM Nc1nc(=NCc2ccco2)nc2[nH][n-]cc1-2 ZINC000341925147 411923756 /nfs/dbraw/zinc/92/37/56/411923756.db2.gz GXVMJQJMZFVLRD-UHFFFAOYSA-N -1 3 230.231 0.514 20 0 BCADHM C[C@H]1CCC[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000336942555 411926961 /nfs/dbraw/zinc/92/69/61/411926961.db2.gz IZXXVWYQFQAECZ-POYBYMJQSA-N -1 3 232.291 0.909 20 0 BCADHM C[C@H]1CC[C@@H](N=c2nc3[nH][n-]cc-3c(N)n2)C1 ZINC000443991466 411929342 /nfs/dbraw/zinc/92/93/42/411929342.db2.gz UVBWGSRMKGVOIV-NKWVEPMBSA-N -1 3 232.291 0.909 20 0 BCADHM C[C@]1(CN=c2nc3[nH][n-]cc-3c(N)n2)CCCO1 ZINC000544837245 411932702 /nfs/dbraw/zinc/93/27/02/411932702.db2.gz LHBGIPSKLZWGBJ-LLVKDONJSA-N -1 3 248.290 0.290 20 0 BCADHM CC(C)[C@]1(C)C[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000572491402 411879796 /nfs/dbraw/zinc/87/97/96/411879796.db2.gz VHWRRZWLJRFDIX-PELKAZGASA-N -1 3 246.318 1.155 20 0 BCADHM C[C@H](O)C1(N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000664549429 411982676 /nfs/dbraw/zinc/98/26/76/411982676.db2.gz IHIYGRAQCBIGLY-LURJTMIESA-N -1 3 219.248 0.052 20 0 BCADHM Nc1nnc(CNC(=O)c2ccccc2[O-])o1 ZINC000436984258 411957503 /nfs/dbraw/zinc/95/75/03/411957503.db2.gz MCIICFXQJFKBPT-UHFFFAOYSA-N -1 3 234.215 0.287 20 0 BCADHM C[C@@H](CN1CCC(C)CC1)N=c1nn[n-]n1C ZINC000664454813 411961021 /nfs/dbraw/zinc/96/10/21/411961021.db2.gz PEMWXJDSWBDNMJ-JTQLQIEISA-N -1 3 238.339 0.164 20 0 BCADHM CC[C@@H]1CCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000662207485 412025715 /nfs/dbraw/zinc/02/57/15/412025715.db2.gz YGKFUHAJNNFLJH-ZJUUUORDSA-N -1 3 240.303 0.404 20 0 BCADHM C[C@@H]1CCN([C@H]2CCN(CC(=O)[O-])C2=O)[C@H]1C ZINC000662206213 412025888 /nfs/dbraw/zinc/02/58/88/412025888.db2.gz PHXMMLFOLVNJFW-UTLUCORTSA-N -1 3 240.303 0.402 20 0 BCADHM C[C@@H]1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)[C@@H]1C ZINC000662206212 412026099 /nfs/dbraw/zinc/02/60/99/412026099.db2.gz PHXMMLFOLVNJFW-OPRDCNLKSA-N -1 3 240.303 0.402 20 0 BCADHM CN(CC(=O)NCC(=O)[O-])C[C@@H]1CC1(C)C ZINC000662236896 412035935 /nfs/dbraw/zinc/03/59/35/412035935.db2.gz UXXNUWBYJHCLPU-QMMMGPOBSA-N -1 3 228.292 0.165 20 0 BCADHM CC[C@H](C)[C@@H](C)NCc1nn(C)c(=O)[n-]1 ZINC000308941349 171365759 /nfs/dbraw/zinc/36/57/59/171365759.db2.gz MJHSAZZJCCTILG-JGVFFNPUSA-N -1 3 212.297 0.633 20 0 BCADHM Cc1ccc(NC(=O)C[C@@H]2CC(=O)N2)c([O-])c1 ZINC000665202390 412135095 /nfs/dbraw/zinc/13/50/95/412135095.db2.gz BEXZYMAZLLONFQ-QMMMGPOBSA-N -1 3 234.255 0.918 20 0 BCADHM Cn1nccc1C[N-]c1nnc(C(F)(F)F)o1 ZINC000351494307 412197113 /nfs/dbraw/zinc/19/71/13/412197113.db2.gz QEWXVPSREGAMJA-UHFFFAOYSA-N -1 3 247.180 1.434 20 0 BCADHM FC(F)n1ccc(C[N-]c2nnco2)n1 ZINC000336741451 412212951 /nfs/dbraw/zinc/21/29/51/412212951.db2.gz VTJWOOWAHHOLJG-UHFFFAOYSA-N -1 3 215.163 1.273 20 0 BCADHM Cn1cnc([N-]C(=O)c2cc(Cl)ccn2)n1 ZINC000356438537 412156615 /nfs/dbraw/zinc/15/66/15/412156615.db2.gz KPVXDOIEAKVILD-UHFFFAOYSA-N -1 3 237.650 1.116 20 0 BCADHM CC(C)Cc1cc(NC(=O)c2cnn[n-]2)n[nH]1 ZINC000330513630 412289445 /nfs/dbraw/zinc/28/94/45/412289445.db2.gz GLQQHECZPLIOFQ-UHFFFAOYSA-N -1 3 234.263 0.979 20 0 BCADHM CC(C)Cc1cc(NC(=O)c2c[n-]nn2)n[nH]1 ZINC000330513630 412289448 /nfs/dbraw/zinc/28/94/48/412289448.db2.gz GLQQHECZPLIOFQ-UHFFFAOYSA-N -1 3 234.263 0.979 20 0 BCADHM CC(C)Cc1cc(NC(=O)c2cn[n-]n2)n[nH]1 ZINC000330513630 412289450 /nfs/dbraw/zinc/28/94/50/412289450.db2.gz GLQQHECZPLIOFQ-UHFFFAOYSA-N -1 3 234.263 0.979 20 0 BCADHM CCCc1cc(C(=O)[N-]c2n[nH]c(CC)n2)no1 ZINC000450134385 412366472 /nfs/dbraw/zinc/36/64/72/412366472.db2.gz JJXWMFAQGKAVMS-UHFFFAOYSA-N -1 3 249.274 1.560 20 0 BCADHM CC(C)n1cnc([N-]C(=O)c2cccnn2)n1 ZINC000529515157 412328425 /nfs/dbraw/zinc/32/84/25/412328425.db2.gz SZSHKGOVSZXFGW-UHFFFAOYSA-N -1 3 232.247 0.901 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1nc(C)ncc1C ZINC000580783532 412333189 /nfs/dbraw/zinc/33/31/89/412333189.db2.gz JHIUEHDYJREOKJ-JTQLQIEISA-N -1 3 247.302 1.017 20 0 BCADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccon1 ZINC000647797658 412344234 /nfs/dbraw/zinc/34/42/34/412344234.db2.gz WZDNRGCULHFNNO-UHFFFAOYSA-N -1 3 244.210 1.509 20 0 BCADHM CCC[C@H](O)[C@H](CO)[N-]c1nnc(C2CC2)o1 ZINC000413493267 412365813 /nfs/dbraw/zinc/36/58/13/412365813.db2.gz LJMVGEVAYNDTQN-IUCAKERBSA-N -1 3 241.291 0.881 20 0 BCADHM Cc1nccc(NCc2nc(CN)cc(=O)[n-]2)n1 ZINC000663277373 412406649 /nfs/dbraw/zinc/40/66/49/412406649.db2.gz NBXWXTYXPSFUII-UHFFFAOYSA-N -1 3 246.274 0.351 20 0 BCADHM CCc1ncc([N-]S(=O)(=O)CC)cn1 ZINC000130618309 172023577 /nfs/dbraw/zinc/02/35/77/172023577.db2.gz LOJPUXBMCIQJPH-UHFFFAOYSA-N -1 3 215.278 0.801 20 0 BCADHM CCn1cc(CN2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000062133262 172166196 /nfs/dbraw/zinc/16/61/96/172166196.db2.gz KWROIKYXMALLMR-SNVBAGLBSA-N -1 3 223.276 0.810 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]CCCCF)cn1 ZINC000360264850 172191796 /nfs/dbraw/zinc/19/17/96/172191796.db2.gz DLCPMVQPYZRPJT-UHFFFAOYSA-N -1 3 249.311 0.931 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H](O)c1ccccc1 ZINC000285600174 172238029 /nfs/dbraw/zinc/23/80/29/172238029.db2.gz BPTQQRGMPKCILS-JTQLQIEISA-N -1 3 246.270 0.970 20 0 BCADHM CCn1cnnc1[N-]C(=O)C1(O)CCCCC1 ZINC000285971014 172238065 /nfs/dbraw/zinc/23/80/65/172238065.db2.gz WMSKJSWQPRVCFR-UHFFFAOYSA-N -1 3 238.291 0.932 20 0 BCADHM CCn1cnnc1[N-]C(=O)COC(C)C ZINC000285981196 172238910 /nfs/dbraw/zinc/23/89/10/172238910.db2.gz XFNZWIQVUJCONN-UHFFFAOYSA-N -1 3 212.253 0.662 20 0 BCADHM CCn1nnc(C)c1C(=O)Nc1ncccc1[O-] ZINC000295006958 172286317 /nfs/dbraw/zinc/28/63/17/172286317.db2.gz INZWXVLYJAVZLS-UHFFFAOYSA-N -1 3 247.258 0.959 20 0 BCADHM CN(C(=O)c1cncc([O-])c1)[C@H]1CCCN(C)C1 ZINC000109041341 173045230 /nfs/dbraw/zinc/04/52/30/173045230.db2.gz UAKYTGFVCSCOQM-NSHDSACASA-N -1 3 249.314 0.953 20 0 BCADHM CN1CCO[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000081932552 173108337 /nfs/dbraw/zinc/10/83/37/173108337.db2.gz LVNWMXJPLNPDPQ-NSHDSACASA-N -1 3 236.271 0.661 20 0 BCADHM CN1CC[C@H](C(=O)Nc2ncccc2[O-])CC1=O ZINC000044335121 173143640 /nfs/dbraw/zinc/14/36/40/173143640.db2.gz VZXAZVMWCFYKOO-QMMMGPOBSA-N -1 3 249.270 0.594 20 0 BCADHM CNc1nc(C)cc(C(=O)N=c2[n-]occ2C)n1 ZINC000355045915 173210271 /nfs/dbraw/zinc/21/02/71/173210271.db2.gz CYKOBSGOLGRJRW-UHFFFAOYSA-N -1 3 247.258 0.219 20 0 BCADHM CNC(=O)C1(C(=O)Nc2nc(C)ccc2[O-])CC1 ZINC000273434622 173222406 /nfs/dbraw/zinc/22/24/06/173222406.db2.gz FDISJELDCFWGRY-UHFFFAOYSA-N -1 3 249.270 0.560 20 0 BCADHM CNC(=O)CCNC(=O)c1ccc([O-])c(C)c1 ZINC000227022800 173258674 /nfs/dbraw/zinc/25/86/74/173258674.db2.gz NFYXTFNRVXGXRE-UHFFFAOYSA-N -1 3 236.271 0.567 20 0 BCADHM CNC(=O)CN(C)C(=O)c1ccccc1[O-] ZINC000037250610 173267283 /nfs/dbraw/zinc/26/72/83/173267283.db2.gz IOPQQPPDJZGIPF-UHFFFAOYSA-N -1 3 222.244 0.210 20 0 BCADHM CNC(=O)[C@@H]1CCCCN1CCCCC(=O)[O-] ZINC000042423089 173297930 /nfs/dbraw/zinc/29/79/30/173297930.db2.gz FHPMQERVGJYHOV-JTQLQIEISA-N -1 3 242.319 0.842 20 0 BCADHM CNC(=O)[C@H]1CCCN1Cc1nc(C)ccc1[O-] ZINC000133593278 173307285 /nfs/dbraw/zinc/30/72/85/173307285.db2.gz LVJVDUOFZFHTPU-LLVKDONJSA-N -1 3 249.314 0.806 20 0 BCADHM C[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000174969149 173409667 /nfs/dbraw/zinc/40/96/67/173409667.db2.gz JENWEKQUQKSBCJ-UHFFFAOYSA-N -1 3 217.294 0.447 20 0 BCADHM COCCC[N-]S(=O)(=O)c1ccco1 ZINC000188551490 174248447 /nfs/dbraw/zinc/24/84/47/174248447.db2.gz VHQHQXGELLMZSD-UHFFFAOYSA-N -1 3 219.262 0.594 20 0 BCADHM COCCCO[N-]C(=O)Cc1ccncc1 ZINC000287955297 174254915 /nfs/dbraw/zinc/25/49/15/174254915.db2.gz WVBMNOWCTHNBMH-UHFFFAOYSA-N -1 3 224.260 0.708 20 0 BCADHM COCCCO[N-]C(=O)CCc1cnccn1 ZINC000287723728 174255073 /nfs/dbraw/zinc/25/50/73/174255073.db2.gz GXFFJJOJDDTCIP-UHFFFAOYSA-N -1 3 239.275 0.494 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1C[C@]12CCOC2 ZINC000376380234 174256152 /nfs/dbraw/zinc/25/61/52/174256152.db2.gz FVUYKEZVCCUBSC-ONGXEEELSA-N -1 3 229.276 0.497 20 0 BCADHM COCC[N-]S(=O)(=O)c1ccccn1 ZINC000340081956 174337383 /nfs/dbraw/zinc/33/73/83/174337383.db2.gz XMHCDYIHOJBWBC-UHFFFAOYSA-N -1 3 216.262 0.006 20 0 BCADHM COCCS(=O)(=O)[N-]c1ccc(F)nc1 ZINC000152852902 174372630 /nfs/dbraw/zinc/37/26/30/174372630.db2.gz WVVZYLBUBWEQSL-UHFFFAOYSA-N -1 3 234.252 0.609 20 0 BCADHM COCCS(=O)(=O)[N-]c1ccc(C)nc1 ZINC000121340198 174373115 /nfs/dbraw/zinc/37/31/15/174373115.db2.gz FCGJYHLKRKMOAU-UHFFFAOYSA-N -1 3 230.289 0.778 20 0 BCADHM COCC[C@@H](C)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268624803 174381526 /nfs/dbraw/zinc/38/15/26/174381526.db2.gz DGBCXKXBOWVHAJ-SSDOTTSWSA-N -1 3 239.275 0.645 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccncc1F ZINC000283846713 174708322 /nfs/dbraw/zinc/70/83/22/174708322.db2.gz ASGIGKFNTIGBAF-ZETCQYMHSA-N -1 3 248.279 0.997 20 0 BCADHM COc1ccc(C(=O)NCC[C@H](C)O)c([O-])c1 ZINC000085985817 175060520 /nfs/dbraw/zinc/06/05/20/175060520.db2.gz HXMCFCUTGHKSID-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM COc1ccc(O)c([N-]S(=O)(=O)N(C)C)c1 ZINC000125706986 175159242 /nfs/dbraw/zinc/15/92/42/175159242.db2.gz FTTPYMPKPYSEKP-UHFFFAOYSA-N -1 3 246.288 0.619 20 0 BCADHM COc1cccc(C(=O)N(C)CCO)c1[O-] ZINC000037853971 175242742 /nfs/dbraw/zinc/24/27/42/175242742.db2.gz AQZXBFCNTHNQSW-UHFFFAOYSA-N -1 3 225.244 0.465 20 0 BCADHM COc1cccc(C(=O)N2CC(C)(O)C2)c1[O-] ZINC000089645437 175243640 /nfs/dbraw/zinc/24/36/40/175243640.db2.gz BUCSNHUDKHFPAE-UHFFFAOYSA-N -1 3 237.255 0.608 20 0 BCADHM COc1cccc(C(=O)N2CC[C@@H](O)C2)c1[O-] ZINC000061704581 175243826 /nfs/dbraw/zinc/24/38/26/175243826.db2.gz AZUWWNPIUTURDL-MRVPVSSYSA-N -1 3 237.255 0.608 20 0 BCADHM COc1cncc(C(=O)[N-]c2ccncc2F)n1 ZINC000362030050 175383509 /nfs/dbraw/zinc/38/35/09/175383509.db2.gz VYUULULMOQBPKR-UHFFFAOYSA-N -1 3 248.217 0.694 20 0 BCADHM COc1nnc(NC(=O)C[C@H]2CCCO2)[n-]1 ZINC000129562311 175393270 /nfs/dbraw/zinc/39/32/70/175393270.db2.gz QDWUFVPQJJUVRI-ZCFIWIBFSA-N -1 3 226.236 0.321 20 0 BCADHM COc1nc(NC(=O)C[C@H]2CCCO2)n[n-]1 ZINC000129562311 175393272 /nfs/dbraw/zinc/39/32/72/175393272.db2.gz QDWUFVPQJJUVRI-ZCFIWIBFSA-N -1 3 226.236 0.321 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@H]2CCCO2)n1 ZINC000129562311 175393274 /nfs/dbraw/zinc/39/32/74/175393274.db2.gz QDWUFVPQJJUVRI-ZCFIWIBFSA-N -1 3 226.236 0.321 20 0 BCADHM COc1n[n-]c(NC(=O)C(C)(Cl)Cl)n1 ZINC000183012035 175393748 /nfs/dbraw/zinc/39/37/48/175393748.db2.gz BFCOVSREMZABMJ-UHFFFAOYSA-N -1 3 239.062 0.946 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CC[C@H](C)O2)[n-]1 ZINC000127826587 175393529 /nfs/dbraw/zinc/39/35/29/175393529.db2.gz LDNKTUBWAFUJMT-WDSKDSINSA-N -1 3 226.236 0.319 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CC[C@H](C)O2)n[n-]1 ZINC000127826587 175393531 /nfs/dbraw/zinc/39/35/31/175393531.db2.gz LDNKTUBWAFUJMT-WDSKDSINSA-N -1 3 226.236 0.319 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CC[C@H](C)O2)n1 ZINC000127826587 175393533 /nfs/dbraw/zinc/39/35/33/175393533.db2.gz LDNKTUBWAFUJMT-WDSKDSINSA-N -1 3 226.236 0.319 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCCS2)[n-]1 ZINC000129438416 175393538 /nfs/dbraw/zinc/39/35/38/175393538.db2.gz HLOWGTPUYHBAPF-YFKPBYRVSA-N -1 3 228.277 0.647 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCCS2)n[n-]1 ZINC000129438416 175393540 /nfs/dbraw/zinc/39/35/40/175393540.db2.gz HLOWGTPUYHBAPF-YFKPBYRVSA-N -1 3 228.277 0.647 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCCS2)n1 ZINC000129438416 175393542 /nfs/dbraw/zinc/39/35/42/175393542.db2.gz HLOWGTPUYHBAPF-YFKPBYRVSA-N -1 3 228.277 0.647 20 0 BCADHM COc1nnc(NC(=O)c2cc(C)on2)[n-]1 ZINC000126765773 175393625 /nfs/dbraw/zinc/39/36/25/175393625.db2.gz YADGRDHWDZBTGS-UHFFFAOYSA-N -1 3 223.192 0.362 20 0 BCADHM COc1n[n-]c(NC(=O)c2cc(C)on2)n1 ZINC000126765773 175393626 /nfs/dbraw/zinc/39/36/26/175393626.db2.gz YADGRDHWDZBTGS-UHFFFAOYSA-N -1 3 223.192 0.362 20 0 BCADHM COc1nc(NC(=O)c2cc(C)on2)n[n-]1 ZINC000126765773 175393630 /nfs/dbraw/zinc/39/36/30/175393630.db2.gz YADGRDHWDZBTGS-UHFFFAOYSA-N -1 3 223.192 0.362 20 0 BCADHM COc1nnc(NC(=O)C(C)(Cl)Cl)[n-]1 ZINC000183012035 175393744 /nfs/dbraw/zinc/39/37/44/175393744.db2.gz BFCOVSREMZABMJ-UHFFFAOYSA-N -1 3 239.062 0.946 20 0 BCADHM COc1nc(NC(=O)C(C)(Cl)Cl)n[n-]1 ZINC000183012035 175393746 /nfs/dbraw/zinc/39/37/46/175393746.db2.gz BFCOVSREMZABMJ-UHFFFAOYSA-N -1 3 239.062 0.946 20 0 BCADHM COc1nnc(NC(=O)C(C)(C)OC)[n-]1 ZINC000182988192 175393856 /nfs/dbraw/zinc/39/38/56/175393856.db2.gz PXSUMNPBBHMFHB-UHFFFAOYSA-N -1 3 214.225 0.177 20 0 BCADHM COc1nc(NC(=O)C(C)(C)OC)n[n-]1 ZINC000182988192 175393857 /nfs/dbraw/zinc/39/38/57/175393857.db2.gz PXSUMNPBBHMFHB-UHFFFAOYSA-N -1 3 214.225 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)C(C)(C)OC)n1 ZINC000182988192 175393858 /nfs/dbraw/zinc/39/38/58/175393858.db2.gz PXSUMNPBBHMFHB-UHFFFAOYSA-N -1 3 214.225 0.177 20 0 BCADHM COc1nnc(NC(=O)CCn2cccn2)[n-]1 ZINC000126814119 175393931 /nfs/dbraw/zinc/39/39/31/175393931.db2.gz HRMOCHIQYLHOEX-UHFFFAOYSA-N -1 3 236.235 0.039 20 0 BCADHM COc1nc(NC(=O)CCn2cccn2)n[n-]1 ZINC000126814119 175393932 /nfs/dbraw/zinc/39/39/32/175393932.db2.gz HRMOCHIQYLHOEX-UHFFFAOYSA-N -1 3 236.235 0.039 20 0 BCADHM COc1n[n-]c(NC(=O)CCn2cccn2)n1 ZINC000126814119 175393934 /nfs/dbraw/zinc/39/39/34/175393934.db2.gz HRMOCHIQYLHOEX-UHFFFAOYSA-N -1 3 236.235 0.039 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCSC2)[n-]1 ZINC000129437551 175394206 /nfs/dbraw/zinc/39/42/06/175394206.db2.gz ZETAGOOWRFZHKW-YFKPBYRVSA-N -1 3 228.277 0.505 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCSC2)n[n-]1 ZINC000129437551 175394208 /nfs/dbraw/zinc/39/42/08/175394208.db2.gz ZETAGOOWRFZHKW-YFKPBYRVSA-N -1 3 228.277 0.505 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCSC2)n1 ZINC000129437551 175394210 /nfs/dbraw/zinc/39/42/10/175394210.db2.gz ZETAGOOWRFZHKW-YFKPBYRVSA-N -1 3 228.277 0.505 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCO[C@H](C)C2)[n-]1 ZINC000272399806 175394659 /nfs/dbraw/zinc/39/46/59/175394659.db2.gz DOXWVFWOOHUAIG-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCO[C@H](C)C2)n[n-]1 ZINC000272399806 175394660 /nfs/dbraw/zinc/39/46/60/175394660.db2.gz DOXWVFWOOHUAIG-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCO[C@H](C)C2)n1 ZINC000272399806 175394662 /nfs/dbraw/zinc/39/46/62/175394662.db2.gz DOXWVFWOOHUAIG-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@@H](OC)C2CC2)[n-]1 ZINC000281781687 175394794 /nfs/dbraw/zinc/39/47/94/175394794.db2.gz ZYSMOLVWFIKROY-LURJTMIESA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@@H](OC)C2CC2)n[n-]1 ZINC000281781687 175394795 /nfs/dbraw/zinc/39/47/95/175394795.db2.gz ZYSMOLVWFIKROY-LURJTMIESA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](OC)C2CC2)n1 ZINC000281781687 175394796 /nfs/dbraw/zinc/39/47/96/175394796.db2.gz ZYSMOLVWFIKROY-LURJTMIESA-N -1 3 226.236 0.177 20 0 BCADHM COc1nnc(NC(=O)c2cnc(C)s2)[n-]1 ZINC000182983344 175395961 /nfs/dbraw/zinc/39/59/61/175395961.db2.gz UOAUNRVWJALQDD-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM COc1nc(NC(=O)c2cnc(C)s2)n[n-]1 ZINC000182983344 175395962 /nfs/dbraw/zinc/39/59/62/175395962.db2.gz UOAUNRVWJALQDD-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM COc1n[n-]c(NC(=O)c2cnc(C)s2)n1 ZINC000182983344 175395963 /nfs/dbraw/zinc/39/59/63/175395963.db2.gz UOAUNRVWJALQDD-UHFFFAOYSA-N -1 3 239.260 0.831 20 0 BCADHM COc1nc(NC(=O)c2ocnc2C2CC2)n[n-]1 ZINC000291647861 175396247 /nfs/dbraw/zinc/39/62/47/175396247.db2.gz JKCSURALKVTKCU-UHFFFAOYSA-N -1 3 249.230 0.931 20 0 BCADHM C[C@@H](C(=O)N(C)C)N1CCC(C(=O)[O-])CC1 ZINC000035083901 175599412 /nfs/dbraw/zinc/59/94/12/175599412.db2.gz IJPQJUOJBPQYEP-QMMMGPOBSA-N -1 3 228.292 0.260 20 0 BCADHM C[C@@H](CC(N)=O)C(=O)Nc1ncccc1[O-] ZINC000283217199 175650315 /nfs/dbraw/zinc/65/03/15/175650315.db2.gz AOQSKIYSONCBBV-LURJTMIESA-N -1 3 223.232 0.237 20 0 BCADHM C[C@@H]1C(=O)NCCN1Cc1cc([O-])cc(F)c1 ZINC000186201410 176046779 /nfs/dbraw/zinc/04/67/79/176046779.db2.gz GCIXVTLNZGXKHU-MRVPVSSYSA-N -1 3 238.262 0.852 20 0 BCADHM C[C@@H]1CCC(=CC(=O)Nc2[n-]nnc2C(N)=O)C1 ZINC000297722631 176057141 /nfs/dbraw/zinc/05/71/41/176057141.db2.gz JSJVPPUBBCBKDB-LUFONEFESA-N -1 3 249.274 0.589 20 0 BCADHM C[C@@H]1CC/C(=C\C(=O)Nc2nn[n-]c2C(N)=O)C1 ZINC000297722631 176057144 /nfs/dbraw/zinc/05/71/44/176057144.db2.gz JSJVPPUBBCBKDB-LUFONEFESA-N -1 3 249.274 0.589 20 0 BCADHM C[C@@H]1CCC(=CC(=O)Nc2n[n-]nc2C(N)=O)C1 ZINC000297722631 176057145 /nfs/dbraw/zinc/05/71/45/176057145.db2.gz JSJVPPUBBCBKDB-LUFONEFESA-N -1 3 249.274 0.589 20 0 BCADHM C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)[O-] ZINC000336743145 176099469 /nfs/dbraw/zinc/09/94/69/176099469.db2.gz OSARYLWCLWNQRL-RKDXNWHRSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@@H]1CN(CCC(=O)[O-])CC(C)(C)O1 ZINC000045696740 176286108 /nfs/dbraw/zinc/28/61/08/176286108.db2.gz VDGZZEAJQNOJSW-MRVPVSSYSA-N -1 3 201.266 0.960 20 0 BCADHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000277652831 176344843 /nfs/dbraw/zinc/34/48/43/176344843.db2.gz DTGIIDCGLIAGSZ-RKDXNWHRSA-N -1 3 245.300 0.983 20 0 BCADHM C[C@@H]1CSCCN1Cc1nc(=O)[n-][nH]1 ZINC000271648248 176351642 /nfs/dbraw/zinc/35/16/42/176351642.db2.gz UILXWCDFKVFEBR-ZCFIWIBFSA-N -1 3 214.294 0.035 20 0 BCADHM C[C@@H]1C[C@@H](C)[C@H](C(=O)[N-]c2nncn2C)O1 ZINC000283503457 176366995 /nfs/dbraw/zinc/36/69/95/176366995.db2.gz LVALQKQVTPYFAI-BWZBUEFSSA-N -1 3 224.264 0.567 20 0 BCADHM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccco1 ZINC000188716641 177000205 /nfs/dbraw/zinc/00/02/05/177000205.db2.gz QGOURFRHDYRVIG-IUCAKERBSA-N -1 3 247.316 0.965 20 0 BCADHM C[C@H]1CCC[C@]1(O)CNC(=O)c1c[n-]nn1 ZINC000294487532 177144722 /nfs/dbraw/zinc/14/47/22/177144722.db2.gz XLRUDHPNNIJYSL-XVKPBYJWSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@H]1CCC[C@]1(O)CNC(=O)c1cnn[n-]1 ZINC000294487532 177144723 /nfs/dbraw/zinc/14/47/23/177144723.db2.gz XLRUDHPNNIJYSL-XVKPBYJWSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@H]1CCC[C@]1(O)CNC(=O)c1cn[n-]n1 ZINC000294487532 177144724 /nfs/dbraw/zinc/14/47/24/177144724.db2.gz XLRUDHPNNIJYSL-XVKPBYJWSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@H]1CCN(S(=O)(=O)[N-]c2cnn(C)c2)C1 ZINC000408143091 177170248 /nfs/dbraw/zinc/17/02/48/177170248.db2.gz ZJECAXMWHKTMJZ-QMMMGPOBSA-N -1 3 244.320 0.419 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)CC(=O)N1 ZINC000297139679 177227757 /nfs/dbraw/zinc/22/77/57/177227757.db2.gz URGVGXFAPFFXAB-QMMMGPOBSA-N -1 3 234.255 0.353 20 0 BCADHM C[C@H]1CN(C(=O)c2cncc([O-])c2)[C@@H](C)CN1C ZINC000340007111 177230645 /nfs/dbraw/zinc/23/06/45/177230645.db2.gz VFKGEHUVGQTEAN-UWVGGRQHSA-N -1 3 249.314 0.952 20 0 BCADHM C[C@H]1CN(C(=O)c2csc(=O)[n-]2)CCC1=O ZINC000330017521 177232030 /nfs/dbraw/zinc/23/20/30/177232030.db2.gz RFWLSJYWNVHLGF-LURJTMIESA-N -1 3 240.284 0.900 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C(=O)O1 ZINC000288593508 177329879 /nfs/dbraw/zinc/32/98/79/177329879.db2.gz MBMUOMAKTDGLED-IONNQARKSA-N -1 3 235.239 0.826 20 0 BCADHM O=C(/C=C\c1ccc(Cl)nc1)[N-]OCCO ZINC000491990479 225899848 /nfs/dbraw/zinc/89/98/48/225899848.db2.gz KMKWWGNXAKAOCO-RQOWECAXSA-N -1 3 242.662 0.788 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NC[C@@H](O)C1CC1 ZINC000492520515 226012907 /nfs/dbraw/zinc/01/29/07/226012907.db2.gz NDBQQXOSYFLUCK-VCUZLRKMSA-N -1 3 248.282 0.688 20 0 BCADHM C[C@@H](O)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000492441940 225999128 /nfs/dbraw/zinc/99/91/28/225999128.db2.gz OGZPGDFDOMHPOF-UFUPEUMYSA-N -1 3 222.244 0.297 20 0 BCADHM O=C(/C=C/c1ccc2c(c1)CCO2)[N-]OCCO ZINC000492685994 226037377 /nfs/dbraw/zinc/03/73/77/226037377.db2.gz ZAELEWCEISNZMS-DUXPYHPUSA-N -1 3 249.266 0.675 20 0 BCADHM O=C(/C=C\c1ccc(F)cc1)[N-]OCCO ZINC000492715410 226041224 /nfs/dbraw/zinc/04/12/24/226041224.db2.gz KQIUVQNJFAHWFE-UTCJRWHESA-N -1 3 225.219 0.879 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@H](O)C1 ZINC000493273049 226172773 /nfs/dbraw/zinc/17/27/73/226172773.db2.gz WQQNLPSBKCEHKZ-BYCRGOAPSA-N -1 3 248.282 0.784 20 0 BCADHM Cc1c(/C=C/C(=O)[N-]OCCCO)cnn1C ZINC000493418366 226210692 /nfs/dbraw/zinc/21/06/92/226210692.db2.gz KWCONVDRAHVKTG-SNAWJCMRSA-N -1 3 239.275 0.172 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NOCCCO ZINC000493828453 226256045 /nfs/dbraw/zinc/25/60/45/226256045.db2.gz VKIYKYSVVHPJLO-NSCUHMNNSA-N -1 3 238.243 0.231 20 0 BCADHM O=C(/C=C\c1ccncn1)[N-]OCC1CC1 ZINC000493827832 226256077 /nfs/dbraw/zinc/25/60/77/226256077.db2.gz UHGTVKGZUJGVHY-ARJAWSKDSA-N -1 3 219.244 0.948 20 0 BCADHM CCO[N-]C(=O)Nc1cc(C(=O)OC)n(C)c1 ZINC000273666927 487656204 /nfs/dbraw/zinc/65/62/04/487656204.db2.gz DAZFVBIZKIPJKQ-UHFFFAOYSA-N -1 3 241.247 0.885 20 0 BCADHM O=C([O-])C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000653472051 487677978 /nfs/dbraw/zinc/67/79/78/487677978.db2.gz DWFXPFHAUFNZLY-RKDXNWHRSA-N -1 3 226.276 0.204 20 0 BCADHM COCC1(CN=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000653474178 487681520 /nfs/dbraw/zinc/68/15/20/487681520.db2.gz BJLJXHTVVZIUIA-UHFFFAOYSA-N -1 3 233.275 0.565 20 0 BCADHM COC[C@](C)(CO)NC(=O)c1ccccc1[O-] ZINC000681072512 487712623 /nfs/dbraw/zinc/71/26/23/487712623.db2.gz IAOSUTYJNRTUFM-LBPRGKRZSA-N -1 3 239.271 0.519 20 0 BCADHM O=C(NC1(C(F)F)CC1)c1c[n-]nn1 ZINC000669754286 487731739 /nfs/dbraw/zinc/73/17/39/487731739.db2.gz QRJIQXGIHOIYRT-UHFFFAOYSA-N -1 3 202.164 0.332 20 0 BCADHM O=C(NC1(C(F)F)CC1)c1cnn[n-]1 ZINC000669754286 487731745 /nfs/dbraw/zinc/73/17/45/487731745.db2.gz QRJIQXGIHOIYRT-UHFFFAOYSA-N -1 3 202.164 0.332 20 0 BCADHM O=C(NC1(C(F)F)CC1)c1cn[n-]n1 ZINC000669754286 487731750 /nfs/dbraw/zinc/73/17/50/487731750.db2.gz QRJIQXGIHOIYRT-UHFFFAOYSA-N -1 3 202.164 0.332 20 0 BCADHM CC(=O)C1(C(=O)[N-]C2=NC[C@@H](C)S2)CC1 ZINC000819781455 585007744 /nfs/dbraw/zinc/00/77/44/585007744.db2.gz OLBVYWDKXUJDEM-ZCFIWIBFSA-N -1 3 226.301 0.963 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1CCCCN1C ZINC000748767915 585195313 /nfs/dbraw/zinc/19/53/13/585195313.db2.gz OVUXFYWHZGUVJG-VIFPVBQESA-N -1 3 216.281 0.165 20 0 BCADHM COCCCO[N-]C(=O)C1=COCC1 ZINC000805043481 585260434 /nfs/dbraw/zinc/26/04/34/585260434.db2.gz UUSGEVRZELXJOZ-UHFFFAOYSA-N -1 3 201.222 0.375 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@@H]1CCCSC1 ZINC000839746239 585340107 /nfs/dbraw/zinc/34/01/07/585340107.db2.gz YSBFOKPDEGCBEC-MRVPVSSYSA-N -1 3 233.333 0.948 20 0 BCADHM CN1CCC[C@H](CNC(=O)c2cc(=O)[nH][n-]2)C1 ZINC000668462095 487785156 /nfs/dbraw/zinc/78/51/56/487785156.db2.gz KIXBIIWIZGXDMY-MRVPVSSYSA-N -1 3 238.291 0.187 20 0 BCADHM CN(C)C[C@@H]1CCCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000668012761 487796397 /nfs/dbraw/zinc/79/63/97/487796397.db2.gz KBAXXUGHOVAQKW-QMMMGPOBSA-N -1 3 238.291 0.282 20 0 BCADHM Cc1nn(C)cc1S(=O)(=O)[N-]CCCF ZINC000557842047 322943392 /nfs/dbraw/zinc/94/33/92/322943392.db2.gz QGHVZRSAMXXJTG-UHFFFAOYSA-N -1 3 235.284 0.366 20 0 BCADHM C[C@H]1CCCN(CCO)[C@H]1CNC(=O)[O-] ZINC000825925466 587345615 /nfs/dbraw/zinc/34/56/15/587345615.db2.gz PWXGXHIBWIIPNF-IUCAKERBSA-N -1 3 216.281 0.347 20 0 BCADHM CC[C@@H](C(=O)N(C)C[C@H](C)C(=O)[O-])N(C)C ZINC000828587662 587452030 /nfs/dbraw/zinc/45/20/30/587452030.db2.gz WAMRIISPMIDBDX-IUCAKERBSA-N -1 3 230.308 0.506 20 0 BCADHM COC[C@H](C)N1CC[C@@H](NC(=O)[O-])C1 ZINC000828896029 587469747 /nfs/dbraw/zinc/46/97/47/587469747.db2.gz FYFSPXAKRWSYAW-JGVFFNPUSA-N -1 3 202.254 0.363 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CC1(C)CC1 ZINC000836805440 587838088 /nfs/dbraw/zinc/83/80/88/587838088.db2.gz HHYPEDZSNWUAKP-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM CCO/C=C/C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000493108898 528478550 /nfs/dbraw/zinc/47/85/50/528478550.db2.gz UERUSTUKBPWSMC-IWGCBNPKSA-N -1 3 239.275 0.165 20 0 BCADHM CCC(CC)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845375530 588228329 /nfs/dbraw/zinc/22/83/29/588228329.db2.gz LQQNDSNWOOHHFK-QMMMGPOBSA-N -1 3 235.305 0.410 20 0 BCADHM O=c1[nH]cccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000558345415 322948741 /nfs/dbraw/zinc/94/87/41/322948741.db2.gz WJSNGHJJIUNSLD-UHFFFAOYSA-N -1 3 240.244 0.311 20 0 BCADHM COC[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000625754633 487846911 /nfs/dbraw/zinc/84/69/11/487846911.db2.gz KDTRDFCZLCGUCG-MRVPVSSYSA-N -1 3 237.259 0.291 20 0 BCADHM Cc1cnc(C(=O)N[C@H]2CCCN(C)C2)c([O-])c1 ZINC000681727532 487849384 /nfs/dbraw/zinc/84/93/84/487849384.db2.gz RFGCEMHBKXOECO-JTQLQIEISA-N -1 3 249.314 0.920 20 0 BCADHM CN(C(=O)c1ccccc1[O-])C1(CO)CC1 ZINC000673496197 487887434 /nfs/dbraw/zinc/88/74/34/487887434.db2.gz OTLJYPPZMXDDSR-UHFFFAOYSA-N -1 3 221.256 0.989 20 0 BCADHM O=C(C[C@@H]1CC(=O)N1)Nc1ccccc1[O-] ZINC000666920704 487904470 /nfs/dbraw/zinc/90/44/70/487904470.db2.gz AXUDZCLNPUKXAZ-ZETCQYMHSA-N -1 3 220.228 0.609 20 0 BCADHM C[C@@H](CO)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000676994762 487952301 /nfs/dbraw/zinc/95/23/01/487952301.db2.gz KLGAAUBZBYTVEJ-BDAKNGLRSA-N -1 3 240.307 0.318 20 0 BCADHM CC(C)(C)NC(=O)c1csc(=O)[n-]1 ZINC000306165440 487955469 /nfs/dbraw/zinc/95/54/69/487955469.db2.gz UATLNZQROPQAJF-UHFFFAOYSA-N -1 3 200.263 0.965 20 0 BCADHM Cc1cc([N-]S(=O)(=O)N2CCC2)nn1C ZINC000561309704 322999283 /nfs/dbraw/zinc/99/92/83/322999283.db2.gz XSSXXTMSGBSYAQ-UHFFFAOYSA-N -1 3 230.293 0.091 20 0 BCADHM COc1cccc(C(=O)Nc2ncnn2C)c1[O-] ZINC000151144754 323010989 /nfs/dbraw/zinc/01/09/89/323010989.db2.gz PZBLUDFKWYDMND-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM CC(C)(CN1CCCC1)NCc1n[nH]c(=O)[n-]1 ZINC000569781803 323040560 /nfs/dbraw/zinc/04/05/60/323040560.db2.gz VOAWNFRECLEZRP-UHFFFAOYSA-N -1 3 239.323 0.474 20 0 BCADHM CCN1CCCC[C@H]1C(=O)N(C)CC(=O)[O-] ZINC000569810619 323041589 /nfs/dbraw/zinc/04/15/89/323041589.db2.gz MLAYZONPNUGMNG-VIFPVBQESA-N -1 3 228.292 0.404 20 0 BCADHM CO[C@H](C)[C@@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000569988625 323046634 /nfs/dbraw/zinc/04/66/34/323046634.db2.gz SHAWYCXKRJZHNR-RKDXNWHRSA-N -1 3 238.287 0.869 20 0 BCADHM CCn1c([N-]S(C)(=O)=O)nc2cccnc21 ZINC000570520910 323061924 /nfs/dbraw/zinc/06/19/24/323061924.db2.gz JGEXOSYRZDJFBV-UHFFFAOYSA-N -1 3 240.288 0.823 20 0 BCADHM CC[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000015423702 323082523 /nfs/dbraw/zinc/08/25/23/323082523.db2.gz AQGXKNQWDQRIED-UHFFFAOYSA-N -1 3 249.313 0.833 20 0 BCADHM CCc1nnc(NC(=O)c2cnn[n-]2)s1 ZINC000048942094 323112183 /nfs/dbraw/zinc/11/21/83/323112183.db2.gz YCWOMWUMHMLHKN-UHFFFAOYSA-N -1 3 224.249 0.471 20 0 BCADHM CCc1nnc(NC(=O)c2c[n-]nn2)s1 ZINC000048942094 323112184 /nfs/dbraw/zinc/11/21/84/323112184.db2.gz YCWOMWUMHMLHKN-UHFFFAOYSA-N -1 3 224.249 0.471 20 0 BCADHM CCc1nnc(NC(=O)c2cn[n-]n2)s1 ZINC000048942094 323112185 /nfs/dbraw/zinc/11/21/85/323112185.db2.gz YCWOMWUMHMLHKN-UHFFFAOYSA-N -1 3 224.249 0.471 20 0 BCADHM C[C@@H](O)CN(Cc1ncccc1[O-])[C@@H](C)CO ZINC000563656656 323133825 /nfs/dbraw/zinc/13/38/25/323133825.db2.gz OLLMKGRBZJJXTG-VHSXEESVSA-N -1 3 240.303 0.351 20 0 BCADHM C[C@H](O)[C@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000161033201 323144119 /nfs/dbraw/zinc/14/41/19/323144119.db2.gz KSRFJVHNHJJGET-IUCAKERBSA-N -1 3 236.271 0.987 20 0 BCADHM C[C@@H](O)[C@@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000161033066 323144143 /nfs/dbraw/zinc/14/41/43/323144143.db2.gz KSRFJVHNHJJGET-RKDXNWHRSA-N -1 3 236.271 0.987 20 0 BCADHM O=C(NCc1nc2ccccc2[nH]1)c1c[n-]nn1 ZINC000048889833 323155855 /nfs/dbraw/zinc/15/58/55/323155855.db2.gz BNNQOHSUIDWCSN-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM O=C(NCc1nc2ccccc2[nH]1)c1cnn[n-]1 ZINC000048889833 323155856 /nfs/dbraw/zinc/15/58/56/323155856.db2.gz BNNQOHSUIDWCSN-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM O=C(NCc1nc2ccccc2[nH]1)c1cn[n-]n1 ZINC000048889833 323155857 /nfs/dbraw/zinc/15/58/57/323155857.db2.gz BNNQOHSUIDWCSN-UHFFFAOYSA-N -1 3 242.242 0.611 20 0 BCADHM COC(=O)N(C)CC(=O)Nc1ncccc1[O-] ZINC000049086684 323158290 /nfs/dbraw/zinc/15/82/90/323158290.db2.gz FYZZHNBZOXMTBI-UHFFFAOYSA-N -1 3 239.231 0.424 20 0 BCADHM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1N ZINC000563730656 323176407 /nfs/dbraw/zinc/17/64/07/323176407.db2.gz IRLBIXZIPPIZNW-RNJXMRFFSA-N -1 3 214.265 0.045 20 0 BCADHM CS(=O)(=O)[N-]c1ccccc1-n1ccnn1 ZINC000070256042 323182838 /nfs/dbraw/zinc/18/28/38/323182838.db2.gz LTUUKRXVFWMYOB-UHFFFAOYSA-N -1 3 238.272 0.639 20 0 BCADHM Cc1cccc(C(=O)NCCCC(N)=O)c1[O-] ZINC000037503039 323289951 /nfs/dbraw/zinc/28/99/51/323289951.db2.gz BZYNAMRQIKYTMT-UHFFFAOYSA-N -1 3 236.271 0.696 20 0 BCADHM O=C(NCc1ccc2c(c1)COC2)c1c[n-]nn1 ZINC000532908870 323381464 /nfs/dbraw/zinc/38/14/64/323381464.db2.gz FGTPXTYJCFDGFC-UHFFFAOYSA-N -1 3 244.254 0.765 20 0 BCADHM O=C(NCc1ccc2c(c1)COC2)c1cnn[n-]1 ZINC000532908870 323381468 /nfs/dbraw/zinc/38/14/68/323381468.db2.gz FGTPXTYJCFDGFC-UHFFFAOYSA-N -1 3 244.254 0.765 20 0 BCADHM O=C(NCc1ccc2c(c1)COC2)c1cn[n-]n1 ZINC000532908870 323381470 /nfs/dbraw/zinc/38/14/70/323381470.db2.gz FGTPXTYJCFDGFC-UHFFFAOYSA-N -1 3 244.254 0.765 20 0 BCADHM C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2ccon2)CO1 ZINC000572116984 323541695 /nfs/dbraw/zinc/54/16/95/323541695.db2.gz NMIYPHSMIAVMOO-CBAPKCEASA-N -1 3 246.288 0.271 20 0 BCADHM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C2CC2)C1 ZINC000537048711 324001195 /nfs/dbraw/zinc/00/11/95/324001195.db2.gz YSCYNNUQHHJUFK-VIFPVBQESA-N -1 3 237.307 0.179 20 0 BCADHM CCC[C@@H](OCC)C(=O)[N-]c1nncn1C ZINC000529039779 324236793 /nfs/dbraw/zinc/23/67/93/324236793.db2.gz PHCSOESJYSSWKG-MRVPVSSYSA-N -1 3 226.280 0.959 20 0 BCADHM CCn1ncc(CNC(=O)c2cccc([O-])c2)n1 ZINC000529596102 324358214 /nfs/dbraw/zinc/35/82/14/324358214.db2.gz OYQDITZNGXWSPU-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cn1cccn1 ZINC000131503196 325157333 /nfs/dbraw/zinc/15/73/33/325157333.db2.gz KPADCZXOHUBUHH-UHFFFAOYSA-N -1 3 249.230 0.031 20 0 BCADHM COc1cccc(C(=O)N[C@H]2CCOC2)c1[O-] ZINC000131552352 325163934 /nfs/dbraw/zinc/16/39/34/325163934.db2.gz LYPGIWLQMZXVHX-QMMMGPOBSA-N -1 3 237.255 0.920 20 0 BCADHM C1=C(CNC2(c3nn[n-]n3)CCCC2)COCC1 ZINC000546741958 325307982 /nfs/dbraw/zinc/30/79/82/325307982.db2.gz QMUUBPZUZNVBJK-UHFFFAOYSA-N -1 3 249.318 0.905 20 0 BCADHM C1=C(CNC2(c3nnn[n-]3)CCCC2)COCC1 ZINC000546741958 325307985 /nfs/dbraw/zinc/30/79/85/325307985.db2.gz QMUUBPZUZNVBJK-UHFFFAOYSA-N -1 3 249.318 0.905 20 0 BCADHM CCS(=O)(=O)[N-]Cc1nc([C@H]2C[C@H]2C)no1 ZINC000547188707 325331563 /nfs/dbraw/zinc/33/15/63/325331563.db2.gz ZAXOSDILXXWLIY-RQJHMYQMSA-N -1 3 245.304 0.632 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]CCCF)cn1C ZINC000134516632 325362574 /nfs/dbraw/zinc/36/25/74/325362574.db2.gz FBQKRMCJGWJATF-UHFFFAOYSA-N -1 3 235.284 0.366 20 0 BCADHM CC[C@](C)(O)CNC(=O)Cc1cncc([O-])c1 ZINC000553493309 325694293 /nfs/dbraw/zinc/69/42/93/325694293.db2.gz ZZNICAAFQRPUEI-LBPRGKRZSA-N -1 3 238.287 0.607 20 0 BCADHM CC[C@H](CCO)NC(=O)Cc1cncc([O-])c1 ZINC000566468951 326052078 /nfs/dbraw/zinc/05/20/78/326052078.db2.gz DITGWFGDTFRKTE-SNVBAGLBSA-N -1 3 238.287 0.607 20 0 BCADHM CC(C)(C)N(CC(N)=O)Cc1ncccc1[O-] ZINC000567147691 326124782 /nfs/dbraw/zinc/12/47/82/326124782.db2.gz WWRUCTXULOUWRN-UHFFFAOYSA-N -1 3 237.303 0.873 20 0 BCADHM CCOCCCNC(=O)Cc1cncc([O-])c1 ZINC000567187582 326132039 /nfs/dbraw/zinc/13/20/39/326132039.db2.gz IIIKQKRTJOCPQB-UHFFFAOYSA-N -1 3 238.287 0.873 20 0 BCADHM COc1ccc(O)c(NC(=O)c2cnn[n-]2)c1 ZINC000154474663 326145556 /nfs/dbraw/zinc/14/55/56/326145556.db2.gz FJIZTNXMTQGOHG-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COc1ccc(O)c(NC(=O)c2c[n-]nn2)c1 ZINC000154474663 326145557 /nfs/dbraw/zinc/14/55/57/326145557.db2.gz FJIZTNXMTQGOHG-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COc1ccc(O)c(NC(=O)c2cn[n-]n2)c1 ZINC000154474663 326145561 /nfs/dbraw/zinc/14/55/61/326145561.db2.gz FJIZTNXMTQGOHG-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM Cc1ccc2c(c1)[C@H](NC(=O)c1c[n-]nn1)CO2 ZINC000156229066 326222856 /nfs/dbraw/zinc/22/28/56/326222856.db2.gz IAEVMBJFENYHOP-SNVBAGLBSA-N -1 3 244.254 0.977 20 0 BCADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cnn[n-]1)CO2 ZINC000156229066 326222858 /nfs/dbraw/zinc/22/28/58/326222858.db2.gz IAEVMBJFENYHOP-SNVBAGLBSA-N -1 3 244.254 0.977 20 0 BCADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cn[n-]n1)CO2 ZINC000156229066 326222861 /nfs/dbraw/zinc/22/28/61/326222861.db2.gz IAEVMBJFENYHOP-SNVBAGLBSA-N -1 3 244.254 0.977 20 0 BCADHM Cc1nc([N-]C(=O)c2cn(C(C)C)nn2)nn1C ZINC000568281579 326340760 /nfs/dbraw/zinc/34/07/60/326340760.db2.gz RCWHCQNVZSWILA-UHFFFAOYSA-N -1 3 249.278 0.548 20 0 BCADHM C[C@@H](C1CC1)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000568311397 326343121 /nfs/dbraw/zinc/34/31/21/326343121.db2.gz NEFZRVQLFLRIAB-ZETCQYMHSA-N -1 3 210.281 0.339 20 0 BCADHM CC[C@H](CCO)NC(=O)c1cc(C)nc(=O)[n-]1 ZINC000158938918 326346775 /nfs/dbraw/zinc/34/67/75/326346775.db2.gz LYVNCFZPNKCXCA-MRVPVSSYSA-N -1 3 239.275 0.381 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3CC34CC4)c1-2 ZINC000569110086 326390786 /nfs/dbraw/zinc/39/07/86/326390786.db2.gz DSZIILVULRICCA-SSDOTTSWSA-N -1 3 201.233 0.691 20 0 BCADHM CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1N)C(=O)[O-] ZINC000573138977 326431871 /nfs/dbraw/zinc/43/18/71/326431871.db2.gz XPBASFMOQQGARS-CSMHCCOUSA-N -1 3 214.265 0.093 20 0 BCADHM C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)[C@H]1C(=O)[O-] ZINC000573220598 326436227 /nfs/dbraw/zinc/43/62/27/326436227.db2.gz GTNLYZSNWVBEFS-UYXSQOIJSA-N -1 3 226.276 0.045 20 0 BCADHM CCN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000665669582 487973710 /nfs/dbraw/zinc/97/37/10/487973710.db2.gz TULDRTNGGZOQAR-QMMMGPOBSA-N -1 3 238.291 0.248 20 0 BCADHM CC(=O)N1CCN([C@@H](C(=O)[O-])C2CC2)CC1 ZINC000084092794 488002485 /nfs/dbraw/zinc/00/24/85/488002485.db2.gz BYLRSDQIFWBNEC-SNVBAGLBSA-N -1 3 226.276 0.014 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000655392487 488004088 /nfs/dbraw/zinc/00/40/88/488004088.db2.gz WPDZOJLIKFEHSE-TXEJJXNPSA-N -1 3 248.282 0.720 20 0 BCADHM CN(Cc1cn(C)nn1)C1(C(=O)[O-])CCCC1 ZINC000310123300 488017995 /nfs/dbraw/zinc/01/79/95/488017995.db2.gz VRFXWQVNFSXQHA-UHFFFAOYSA-N -1 3 238.291 0.644 20 0 BCADHM O=C(Nc1ccncc1[O-])c1cnco1 ZINC000677644755 488085782 /nfs/dbraw/zinc/08/57/82/488085782.db2.gz GSSJTOVXHDUSIK-UHFFFAOYSA-N -1 3 205.173 0.449 20 0 BCADHM O=C(NC[C@H]1CCCNC1=O)c1ccccc1[O-] ZINC000670375322 488119488 /nfs/dbraw/zinc/11/94/88/488119488.db2.gz CWMNDWHDRPQOQJ-SECBINFHSA-N -1 3 248.282 0.648 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC2COC2)c1 ZINC000094710814 487555205 /nfs/dbraw/zinc/55/52/05/487555205.db2.gz RTPPMMXHWOMXPF-UHFFFAOYSA-N -1 3 207.229 0.829 20 0 BCADHM NC(=O)C1CCN(Cc2ncccc2[O-])CC1 ZINC000685407251 487515962 /nfs/dbraw/zinc/51/59/62/487515962.db2.gz UMHALBSTLNUWGF-UHFFFAOYSA-N -1 3 235.287 0.485 20 0 BCADHM CCNC(=O)CCC(=O)Nc1ncccc1[O-] ZINC000680007391 487516866 /nfs/dbraw/zinc/51/68/66/487516866.db2.gz AMUAZRQZMHCKDE-UHFFFAOYSA-N -1 3 237.259 0.642 20 0 BCADHM CO[C@]1(CNCc2ncccc2[O-])CCOC1 ZINC000685427501 487520943 /nfs/dbraw/zinc/52/09/43/487520943.db2.gz NWMSINPXTOHJTG-LBPRGKRZSA-N -1 3 238.287 0.682 20 0 BCADHM C[C@H]1CCNC(=O)[C@H]1NCc1ncccc1[O-] ZINC000685431167 487521857 /nfs/dbraw/zinc/52/18/57/487521857.db2.gz QDHSWRSVIZFLQO-KWQFWETISA-N -1 3 235.287 0.401 20 0 BCADHM C[C@@H](CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)N(C)C ZINC000163999437 487787533 /nfs/dbraw/zinc/78/75/33/487787533.db2.gz VFUJACDZGFSCQO-IUCAKERBSA-N -1 3 244.335 0.800 20 0 BCADHM CCCn1cc(C(=O)[N-]c2cnoc2)nn1 ZINC000678006227 488172247 /nfs/dbraw/zinc/17/22/47/488172247.db2.gz SMDWJFSNIPAOEU-UHFFFAOYSA-N -1 3 221.220 0.928 20 0 BCADHM CC(C)(O)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000667974685 488172678 /nfs/dbraw/zinc/17/26/78/488172678.db2.gz DKLIYTKCHDQVDB-UHFFFAOYSA-N -1 3 246.270 0.977 20 0 BCADHM CCCn1cc(C(=O)[N-]c2nc[nH]n2)nn1 ZINC000678035277 488176865 /nfs/dbraw/zinc/17/68/65/488176865.db2.gz FJICBWCLNNHPEU-UHFFFAOYSA-N -1 3 221.224 0.059 20 0 BCADHM CN(C)c1n[nH]c([N-]C(=O)c2cnco2)n1 ZINC000672117959 488237300 /nfs/dbraw/zinc/23/73/00/488237300.db2.gz HUTHHGVQOWIPCM-UHFFFAOYSA-N -1 3 222.208 0.111 20 0 BCADHM Cc1ccc([O-])c(CN2C[C@H](O)C[C@H](O)C2)n1 ZINC000678296864 488237972 /nfs/dbraw/zinc/23/79/72/488237972.db2.gz CRKXKELHXGHXOG-AOOOYVTPSA-N -1 3 238.287 0.023 20 0 BCADHM Cc1ccc([O-])c(CNC[C@@H]2CCCC(=O)N2)n1 ZINC000683932526 488247307 /nfs/dbraw/zinc/24/73/07/488247307.db2.gz MILYJRBOYBCARG-JTQLQIEISA-N -1 3 249.314 0.854 20 0 BCADHM O=S(=O)([N-][C@H]1CCCC1(F)F)N1CCC1 ZINC000672429184 488254580 /nfs/dbraw/zinc/25/45/80/488254580.db2.gz KRILIAODEQXXFD-ZETCQYMHSA-N -1 3 240.275 0.714 20 0 BCADHM CC(C)(CO)CNC(=O)c1csc(=O)[n-]1 ZINC000684291967 488287052 /nfs/dbraw/zinc/28/70/52/488287052.db2.gz REGVOZVJDKMVBY-UHFFFAOYSA-N -1 3 230.289 0.597 20 0 BCADHM CC1(C)C[C@@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673544591 488295326 /nfs/dbraw/zinc/29/53/26/488295326.db2.gz LDEYUOOBNCRESX-SECBINFHSA-N -1 3 237.303 0.805 20 0 BCADHM Cn1ccc(C(=O)NCc2ncccc2[O-])n1 ZINC000684351214 488298565 /nfs/dbraw/zinc/29/85/65/488298565.db2.gz WXJCZOSOXPKYJF-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM COC[C@H](C)S(=O)(=O)[N-]C(C)(C)C(F)F ZINC000684597015 488330511 /nfs/dbraw/zinc/33/05/11/488330511.db2.gz BEIYEOXITFBWIY-LURJTMIESA-N -1 3 245.291 0.984 20 0 BCADHM COCCCS(=O)(=O)[N-]C(C)(C)C(F)F ZINC000684598178 488330605 /nfs/dbraw/zinc/33/06/05/488330605.db2.gz UQBBYQLXJOHJHL-UHFFFAOYSA-N -1 3 245.291 0.986 20 0 BCADHM Cc1nnc(CNC(=O)c2ccc(O)cc2[O-])o1 ZINC000679633531 488360918 /nfs/dbraw/zinc/36/09/18/488360918.db2.gz ORQKKHCGZIDOJI-UHFFFAOYSA-N -1 3 249.226 0.719 20 0 BCADHM CO[C@@H](C)CNC(=O)NCc1ncccc1[O-] ZINC000661685350 490157462 /nfs/dbraw/zinc/15/74/62/490157462.db2.gz OVASYXDXLWLQKI-QMMMGPOBSA-N -1 3 239.275 0.621 20 0 BCADHM O=C(NC[C@@H]1COCCN1)c1ccccc1[O-] ZINC000236554443 490200572 /nfs/dbraw/zinc/20/05/72/490200572.db2.gz OLNWETOTRVUGIV-SECBINFHSA-N -1 3 236.271 0.110 20 0 BCADHM C[C@H](O)CN(C(=O)c1csc(=O)[n-]1)C1CC1 ZINC000655373014 490331673 /nfs/dbraw/zinc/33/16/73/490331673.db2.gz CENJVIWEAFVVOO-LURJTMIESA-N -1 3 242.300 0.834 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000652797385 490363249 /nfs/dbraw/zinc/36/32/49/490363249.db2.gz JITHMSUJOFGYLU-DTORHVGOSA-N -1 3 248.282 0.694 20 0 BCADHM O=S(=O)([N-]C1CCOCC1)c1ccccn1 ZINC000130908931 490533359 /nfs/dbraw/zinc/53/33/59/490533359.db2.gz SDAJPENFNUGWGM-UHFFFAOYSA-N -1 3 242.300 0.539 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCCn2ccnn2)c1 ZINC000136335781 491055945 /nfs/dbraw/zinc/05/59/45/491055945.db2.gz ZKVVYCXVGJZMET-UHFFFAOYSA-N -1 3 246.270 0.722 20 0 BCADHM Cc1nccc(NCCCc2c[n-][nH]c2=O)n1 ZINC000631362285 491108609 /nfs/dbraw/zinc/10/86/09/491108609.db2.gz SSFGVXFCVDIUAZ-VIFPVBQESA-N -1 3 233.275 0.709 20 0 BCADHM Cc1nn(C)cc1CNC1(C(=O)[O-])CCC1 ZINC000417561928 491120564 /nfs/dbraw/zinc/12/05/64/491120564.db2.gz DZPDZNBNAQGNJK-UHFFFAOYSA-N -1 3 223.276 0.825 20 0 BCADHM O=C(NCC[C@@H](O)C1CC1)c1csc(=O)[n-]1 ZINC000890719311 582515412 /nfs/dbraw/zinc/51/54/12/582515412.db2.gz DPPQGVGRTQYAPH-MRVPVSSYSA-N -1 3 242.300 0.740 20 0 BCADHM CCC[C@@]1(C)C(=O)NCCN1CCCC(=O)[O-] ZINC000262829943 535551078 /nfs/dbraw/zinc/55/10/78/535551078.db2.gz ZNQRMQHUPDRZFZ-LBPRGKRZSA-N -1 3 242.319 0.842 20 0 BCADHM NC(=O)[N-]C(=O)OCCCN1CCSCC1 ZINC000494002553 534387462 /nfs/dbraw/zinc/38/74/62/534387462.db2.gz RWVMVMHXQQMEMI-UHFFFAOYSA-N -1 3 247.320 0.230 20 0 BCADHM CCO/C=C\C(=O)NCc1cnc(C)[n-]c1=O ZINC000493270348 528529389 /nfs/dbraw/zinc/52/93/89/528529389.db2.gz LCKNUTLDDBWBPK-PLNGDYQASA-N -1 3 237.259 0.657 20 0 BCADHM CCO/C=C\C(=O)NCc1ncccc1[O-] ZINC000493073212 528530330 /nfs/dbraw/zinc/53/03/30/528530330.db2.gz RULFLTSTNBLWMK-ALCCZGGFSA-N -1 3 222.244 0.954 20 0 BCADHM CCCO[N-]C(=O)/C=C/c1cnccn1 ZINC000493645183 528599315 /nfs/dbraw/zinc/59/93/15/528599315.db2.gz OPOWKOOIKORAKR-ONEGZZNKSA-N -1 3 207.233 0.948 20 0 BCADHM CCOC([O-])=NOCCOCC(F)F ZINC000496159733 529082365 /nfs/dbraw/zinc/08/23/65/529082365.db2.gz JQILFLRKHHWJTE-UHFFFAOYSA-N -1 3 213.180 0.946 20 0 BCADHM CCOC(=O)[N-]OCCOCC(F)F ZINC000496159733 529082372 /nfs/dbraw/zinc/08/23/72/529082372.db2.gz JQILFLRKHHWJTE-UHFFFAOYSA-N -1 3 213.180 0.946 20 0 BCADHM CCO[N-]C(=O)CCCNC(=O)OC ZINC000491274201 529083481 /nfs/dbraw/zinc/08/34/81/529083481.db2.gz STJRWUFZYZCWSE-UHFFFAOYSA-N -1 3 204.226 0.190 20 0 BCADHM CCO[N-]C(=O)/C=C\c1cnc(OC)nc1 ZINC000492700016 529083755 /nfs/dbraw/zinc/08/37/55/529083755.db2.gz BGHFSYSFWMLMAU-PLNGDYQASA-N -1 3 223.232 0.566 20 0 BCADHM CC(C)N(C)CC(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000261538517 534993869 /nfs/dbraw/zinc/99/38/69/534993869.db2.gz YJVAXCHRAKZQPT-QMMMGPOBSA-N -1 3 216.281 0.258 20 0 BCADHM CCC[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000081685046 535184559 /nfs/dbraw/zinc/18/45/59/535184559.db2.gz SSDDVOCGUNRYFA-UHFFFAOYSA-N -1 3 217.294 0.591 20 0 BCADHM CCOCCNC(=O)c1csc(=O)[n-]1 ZINC000348914550 535624608 /nfs/dbraw/zinc/62/46/08/535624608.db2.gz UUKSXJZUFRGFPT-UHFFFAOYSA-N -1 3 216.262 0.615 20 0 BCADHM CC[C@H](NC(=O)[C@H]1C[C@H](C)CCN1)C(=O)[O-] ZINC000160638378 538885011 /nfs/dbraw/zinc/88/50/11/538885011.db2.gz FVRHUQWFVKPWFL-HRDYMLBCSA-N -1 3 228.292 0.354 20 0 BCADHM O=S1(=O)CC[C@@H](c2nc(C3CCC3)no2)[N-]1 ZINC000650536058 566300618 /nfs/dbraw/zinc/30/06/18/566300618.db2.gz HPJRSDYGBMJNNT-ZETCQYMHSA-N -1 3 243.288 0.701 20 0 BCADHM O=c1cc(N2CC(F)(F)C[C@H]2CO)nc[n-]1 ZINC000893363377 583125274 /nfs/dbraw/zinc/12/52/74/583125274.db2.gz JXZMQALZFVRVCT-LURJTMIESA-N -1 3 231.202 0.389 20 0 BCADHM CO[C@H](CO[N-]C(C)=O)[C@H]1CCOC1 ZINC000853660805 588753571 /nfs/dbraw/zinc/75/35/71/588753571.db2.gz FXSUDSCZCJJVEJ-DTWKUNHWSA-N -1 3 203.238 0.106 20 0 BCADHM CC(C)(C)CC(=O)[N-]OC[C@H]1COCCO1 ZINC000853706699 588758347 /nfs/dbraw/zinc/75/83/47/588758347.db2.gz PFNLCVIBTDWTER-SECBINFHSA-N -1 3 231.292 0.886 20 0 BCADHM CC[C@](C)(CO)C(=O)[N-]OC1CCN(C)CC1 ZINC000854357552 588784907 /nfs/dbraw/zinc/78/49/07/588784907.db2.gz BLSFHMNXOWZFAH-GFCCVEGCSA-N -1 3 244.335 0.537 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1cnn(C)n1 ZINC000854452251 588787463 /nfs/dbraw/zinc/78/74/63/588787463.db2.gz RWGBPXVJQSAELF-UHFFFAOYSA-N -1 3 218.207 0.477 20 0 BCADHM COCCN(C)CC[N-]C(=O)C(F)(F)F ZINC000112260150 588788763 /nfs/dbraw/zinc/78/87/63/588788763.db2.gz BBTRAKJMHQVEDL-UHFFFAOYSA-N -1 3 228.214 0.243 20 0 BCADHM CC(F)(F)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854483830 588789198 /nfs/dbraw/zinc/78/91/98/588789198.db2.gz JELXYIXPBBVUPM-UHFFFAOYSA-N -1 3 233.218 0.414 20 0 BCADHM CCn1ncn([N-]C(=O)[C@@]2(C)CC2(F)F)c1=O ZINC000854627266 588797667 /nfs/dbraw/zinc/79/76/67/588797667.db2.gz QJISJXMOETYGPH-MRVPVSSYSA-N -1 3 246.217 0.180 20 0 BCADHM CCn1ncn([N-]C(=O)C(C)(C)C(F)F)c1=O ZINC000854627654 588797730 /nfs/dbraw/zinc/79/77/30/588797730.db2.gz CDGRZLXLTYURSG-UHFFFAOYSA-N -1 3 248.233 0.426 20 0 BCADHM COCCCOCCC(=O)[N-]OCC1CC1 ZINC000854638557 588798562 /nfs/dbraw/zinc/79/85/62/588798562.db2.gz GIXLDMYIVMAXGT-UHFFFAOYSA-N -1 3 231.292 0.887 20 0 BCADHM C[C@@H](CC(=O)[N-]OCCN(C)C)[C@H]1CCCO1 ZINC000854690617 588801654 /nfs/dbraw/zinc/80/16/54/588801654.db2.gz DIWHIPGMAMJATN-WDEREUQCSA-N -1 3 244.335 0.801 20 0 BCADHM CC(C)O[N-]C(=O)[C@H]1CCc2nccn2C1 ZINC000854753958 588805753 /nfs/dbraw/zinc/80/57/53/588805753.db2.gz IFCKCVKLZJWRRF-VIFPVBQESA-N -1 3 223.276 0.902 20 0 BCADHM CC1=NO[C@@H](CNC(=O)Cc2cncc([O-])c2)C1 ZINC000854802140 588810787 /nfs/dbraw/zinc/81/07/87/588810787.db2.gz HBCAYXAUOFXMAV-LLVKDONJSA-N -1 3 249.270 0.611 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCOC1 ZINC000854806957 588811530 /nfs/dbraw/zinc/81/15/30/588811530.db2.gz HIFCXWYXFKBCJT-UPHRSURJSA-N -1 3 220.228 0.617 20 0 BCADHM Cc1cc(CC(=O)[N-]OCCN(C)C)no1 ZINC000854945283 588818088 /nfs/dbraw/zinc/81/80/88/588818088.db2.gz FCWGJPLPIXGBCG-UHFFFAOYSA-N -1 3 227.264 0.135 20 0 BCADHM CN(C)CCO[N-]C(=O)CCc1cscn1 ZINC000854945312 588818091 /nfs/dbraw/zinc/81/80/91/588818091.db2.gz GASVOXNJRGWSJY-UHFFFAOYSA-N -1 3 243.332 0.685 20 0 BCADHM CCC(F)(F)C(=O)[N-]CC(=O)N(C)OC ZINC000854965554 588819279 /nfs/dbraw/zinc/81/92/79/588819279.db2.gz JCFIITOKWSLZEX-UHFFFAOYSA-N -1 3 224.207 0.168 20 0 BCADHM COC[C@@H](OC)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000854991589 588820107 /nfs/dbraw/zinc/82/01/07/588820107.db2.gz FYDANPWOVKIRPC-RNFRBKRXSA-N -1 3 232.305 0.255 20 0 BCADHM CCO/C=C\C(=O)[N-]OC(C)(C)C(=O)OCC ZINC000855132988 588822581 /nfs/dbraw/zinc/82/25/81/588822581.db2.gz MACHVDLVSBWWAJ-FPLPWBNLSA-N -1 3 245.275 0.926 20 0 BCADHM CCOC(=O)C(C)(C)O[N-]C(=O)/C=C\COC ZINC000855133232 588822693 /nfs/dbraw/zinc/82/26/93/588822693.db2.gz VDAODDXMIIYTPP-SREVYHEPSA-N -1 3 245.275 0.579 20 0 BCADHM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H](C)N(C)C ZINC000855133683 588822954 /nfs/dbraw/zinc/82/29/54/588822954.db2.gz NKCUMCYYFNIKKK-QMMMGPOBSA-N -1 3 246.307 0.326 20 0 BCADHM C/C=C\C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000890530636 582468530 /nfs/dbraw/zinc/46/85/30/582468530.db2.gz QBVRBUSHMMHDHC-XADBCAIWSA-N -1 3 248.286 0.453 20 0 BCADHM O=C(c1ccccc1[O-])N1CC[C@H](O)[C@H](F)C1 ZINC000890704734 582510009 /nfs/dbraw/zinc/51/00/09/582510009.db2.gz JGZDNEYIQHFURH-KOLCDFICSA-N -1 3 239.246 0.937 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC[C@@H](O)[C@@H](F)C1 ZINC000890711784 582511370 /nfs/dbraw/zinc/51/13/70/582511370.db2.gz QSPKVVHQLMHFSV-WDEREUQCSA-N -1 3 239.246 0.937 20 0 BCADHM Cc1n[n-]nc1C(=O)Nc1cc2n(n1)CCCC2 ZINC000804755191 582551499 /nfs/dbraw/zinc/55/14/99/582551499.db2.gz KWHBBDJFRRYTII-UHFFFAOYSA-N -1 3 246.274 0.898 20 0 BCADHM O=C(N[C@H]1COC[C@@H]1C1CC1)c1cc(=O)[n-]cn1 ZINC000891034588 582597591 /nfs/dbraw/zinc/59/75/91/582597591.db2.gz OGAWSLGRSOAWAM-SCZZXKLOSA-N -1 3 249.270 0.337 20 0 BCADHM [O-]c1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1F ZINC000813336939 582607492 /nfs/dbraw/zinc/60/74/92/582607492.db2.gz LEPLYCBXLHPLMZ-UWVGGRQHSA-N -1 3 241.262 0.459 20 0 BCADHM COC(=O)c1cc([N-]C(=O)C2(C)COC2)on1 ZINC000891281920 582653405 /nfs/dbraw/zinc/65/34/05/582653405.db2.gz ZVWVXSHXIPCRPA-UHFFFAOYSA-N -1 3 240.215 0.436 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H](C)[C@H](C)COC ZINC000891340313 582666695 /nfs/dbraw/zinc/66/66/95/582666695.db2.gz PUDRSOJYDIXUKV-HTQZYQBOSA-N -1 3 241.295 0.550 20 0 BCADHM CCn1nnnc1[N-]C(=O)C[C@H](C)SC ZINC000891339985 582666988 /nfs/dbraw/zinc/66/69/88/582666988.db2.gz MOXPKNGXNNVHKS-LURJTMIESA-N -1 3 229.309 0.773 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@H]1CC1(C)C ZINC000891339970 582666990 /nfs/dbraw/zinc/66/69/90/582666990.db2.gz MHXRNVXMMXQZJI-LURJTMIESA-N -1 3 209.253 0.678 20 0 BCADHM CCn1nnnc1[N-]C(=O)COC1(C)CCC1 ZINC000891338881 582667177 /nfs/dbraw/zinc/66/71/77/582667177.db2.gz CRNBTBKEOCCHPE-UHFFFAOYSA-N -1 3 239.279 0.591 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC000891340257 582667221 /nfs/dbraw/zinc/66/72/21/582667221.db2.gz NEJIOTZPGQKCAY-WHFBIAKZSA-N -1 3 231.206 0.533 20 0 BCADHM CCn1nnnc1[N-]C(=O)/C=C\[C@@H]1CCOC1 ZINC000891339507 582667281 /nfs/dbraw/zinc/66/72/81/582667281.db2.gz DUVZVQCQPTWGIF-TUUFMJSCSA-N -1 3 237.263 0.224 20 0 BCADHM CCn1nnnc1[N-]C(=O)C[C@@H]1CCCCO1 ZINC000891340032 582667287 /nfs/dbraw/zinc/66/72/87/582667287.db2.gz NEXHMWCTIDMEIN-QMMMGPOBSA-N -1 3 239.279 0.591 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@H]1CCCCO1 ZINC000891341356 582667647 /nfs/dbraw/zinc/66/76/47/582667647.db2.gz YQDUTGVGLBJBII-ZETCQYMHSA-N -1 3 225.252 0.201 20 0 BCADHM O=C(NC1CC1)[C@@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000891760016 582717412 /nfs/dbraw/zinc/71/74/12/582717412.db2.gz JJVXPMPVCRMTMJ-VIFPVBQESA-N -1 3 248.286 0.430 20 0 BCADHM O=C([O-])NC1CCN(CCCO)CC1 ZINC000146399740 582730111 /nfs/dbraw/zinc/73/01/11/582730111.db2.gz OOGVAYXJOSCVLH-UHFFFAOYSA-N -1 3 202.254 0.101 20 0 BCADHM O=c1cc(NC[C@@H](O)C2CCOCC2)nc[n-]1 ZINC000892607341 582928601 /nfs/dbraw/zinc/92/86/01/582928601.db2.gz RSABWYMDMAGCEP-SECBINFHSA-N -1 3 239.275 0.382 20 0 BCADHM COCCOC[C@@H](C)Nc1cc(=O)[n-]cn1 ZINC000892677798 582950848 /nfs/dbraw/zinc/95/08/48/582950848.db2.gz NTMOEWQEINPIJX-MRVPVSSYSA-N -1 3 227.264 0.646 20 0 BCADHM CC(=O)N1CCN(c2cc(=O)[n-]cn2)[C@H](C)C1 ZINC000892936046 583012396 /nfs/dbraw/zinc/01/23/96/583012396.db2.gz NGINBHMMTPAKGZ-MRVPVSSYSA-N -1 3 236.275 0.239 20 0 BCADHM O=c1cc(N[C@@H](CO)CC2CC2)nc[n-]1 ZINC000892976744 583023981 /nfs/dbraw/zinc/02/39/81/583023981.db2.gz HZXMQUBHJFCYSK-MRVPVSSYSA-N -1 3 209.249 0.755 20 0 BCADHM O=C([N-]OCC1CCC1)[C@H]1CCNC(=O)C1 ZINC000856348098 588869139 /nfs/dbraw/zinc/86/91/39/588869139.db2.gz PJKKRQMPTXISEC-VIFPVBQESA-N -1 3 226.276 0.361 20 0 BCADHM C[C@H](C(=O)NC1CC1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000223836370 583181939 /nfs/dbraw/zinc/18/19/39/583181939.db2.gz PNOKEOXKILIJHQ-MRTMQBJTSA-N -1 3 240.303 0.306 20 0 BCADHM O=c1cc(N2CC[C@@H](n3cccn3)C2)nc[n-]1 ZINC000893932076 583251766 /nfs/dbraw/zinc/25/17/66/583251766.db2.gz MOLQGARGOIIDSY-SECBINFHSA-N -1 3 231.259 0.830 20 0 BCADHM COCc1nc(N2C[C@@H](F)[C@@H](F)C2)cc(=O)[n-]1 ZINC000894047248 583287344 /nfs/dbraw/zinc/28/73/44/583287344.db2.gz LCHAMNSQXBYACN-KNVOCYPGSA-N -1 3 245.229 0.825 20 0 BCADHM O=C([N-]N1CCCC1=O)c1cnc2ccc[nH]c1-2 ZINC000857168539 588891416 /nfs/dbraw/zinc/89/14/16/588891416.db2.gz HGWBFSSLHKVETK-UHFFFAOYSA-N -1 3 244.254 0.830 20 0 BCADHM CC1(C(=O)[N-]OC[C@@H]2CCOC2)CCOCC1 ZINC000788274766 583307205 /nfs/dbraw/zinc/30/72/05/583307205.db2.gz SIILVHIJUWPVNW-SNVBAGLBSA-N -1 3 243.303 0.887 20 0 BCADHM Cc1nc(N2CCO[C@@H](CF)C2)cc(=O)[n-]1 ZINC000894181740 583330664 /nfs/dbraw/zinc/33/06/64/583330664.db2.gz QAAQTNKCZDVECG-QMMMGPOBSA-N -1 3 227.239 0.665 20 0 BCADHM CCC[C@@H](O)[C@@H](CO)Nc1cc(=O)[n-]c(C)n1 ZINC000894191014 583334456 /nfs/dbraw/zinc/33/44/56/583334456.db2.gz VATNQWYHIBZXIH-RKDXNWHRSA-N -1 3 241.291 0.424 20 0 BCADHM CO[N-]C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878113701 583362240 /nfs/dbraw/zinc/36/22/40/583362240.db2.gz LJTLZWCTUMBFHG-RCOVLWMOSA-N -1 3 209.249 0.753 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc(OC)cc1 ZINC000857259646 588901880 /nfs/dbraw/zinc/90/18/80/588901880.db2.gz CPAHMNFLNAGSGK-UHFFFAOYSA-N -1 3 238.287 0.853 20 0 BCADHM CC(C)(CO)O[N-]C(=O)c1ccc[nH]c1=S ZINC000857284673 588902903 /nfs/dbraw/zinc/90/29/03/588902903.db2.gz DZDIUHYMBJBTDH-UHFFFAOYSA-N -1 3 242.300 0.803 20 0 BCADHM C[C@@H]1COCC[C@@H]1C(=O)[N-]OC(C)(C)CO ZINC000857284285 588903119 /nfs/dbraw/zinc/90/31/19/588903119.db2.gz FNQOIBJKEIQNLY-BDAKNGLRSA-N -1 3 231.292 0.478 20 0 BCADHM O=c1cc(N2CCC[C@H](n3ccnn3)C2)nc[n-]1 ZINC000894272644 583403497 /nfs/dbraw/zinc/40/34/97/583403497.db2.gz ZNLKWOWIHAZOMF-VIFPVBQESA-N -1 3 246.274 0.615 20 0 BCADHM Cc1nc(NCCCc2ncn(C)n2)cc(=O)[n-]1 ZINC000894348804 583431963 /nfs/dbraw/zinc/43/19/63/583431963.db2.gz LFEISVXULLNRKC-UHFFFAOYSA-N -1 3 248.290 0.664 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1CC12CCOCC2 ZINC000857284342 588903221 /nfs/dbraw/zinc/90/32/21/588903221.db2.gz HRJVPBXXKVNYTQ-SECBINFHSA-N -1 3 243.303 0.622 20 0 BCADHM COC[C@@H]1C[C@@H](O)CN1c1cc(=O)[n-]c(C)n1 ZINC000894389743 583446119 /nfs/dbraw/zinc/44/61/19/583446119.db2.gz WRZFVAQUSLNFPM-DTWKUNHWSA-N -1 3 239.275 0.077 20 0 BCADHM CCON(C)C(=O)CNc1cc(=O)[n-]cn1 ZINC000894397542 583448386 /nfs/dbraw/zinc/44/83/86/583448386.db2.gz FZHARCLYFRCZOL-UHFFFAOYSA-N -1 3 226.236 0.004 20 0 BCADHM Cn1nccc1CCC(=O)[N-]OC(C)(C)CO ZINC000857284677 588903516 /nfs/dbraw/zinc/90/35/16/588903516.db2.gz QOFOOWPDJBZAQC-UHFFFAOYSA-N -1 3 241.291 0.171 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC000857285427 588903611 /nfs/dbraw/zinc/90/36/11/588903611.db2.gz BOQGBOCRQFRQLU-JFGNBEQYSA-N -1 3 243.303 0.478 20 0 BCADHM CC(C)(CO)O[N-]C(=O)c1cccnc1F ZINC000857284796 588903651 /nfs/dbraw/zinc/90/36/51/588903651.db2.gz RSWCAOOCEHQBFZ-UHFFFAOYSA-N -1 3 228.223 0.653 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C[C@@H]1CCOC1 ZINC000857285209 588903770 /nfs/dbraw/zinc/90/37/70/588903770.db2.gz UBQSPXXRKPYQAL-QMMMGPOBSA-N -1 3 217.265 0.232 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C[C@@H]1CCCOC1 ZINC000857285806 588903846 /nfs/dbraw/zinc/90/38/46/588903846.db2.gz LHYRIXFRUNIXGN-WDEREUQCSA-N -1 3 245.319 0.868 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000857286308 588904143 /nfs/dbraw/zinc/90/41/43/588904143.db2.gz XPWRWCLSRQFYCG-GMTAPVOTSA-N -1 3 245.319 0.866 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC000857285628 588904185 /nfs/dbraw/zinc/90/41/85/588904185.db2.gz HITNODAZDVLVJA-FXQIFTODSA-N -1 3 237.246 0.952 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C[C@H]1CCCOC1 ZINC000857285803 588904228 /nfs/dbraw/zinc/90/42/28/588904228.db2.gz LHYRIXFRUNIXGN-GHMZBOCLSA-N -1 3 245.319 0.868 20 0 BCADHM O=C(N[C@@H]1CC[C@H]1O)c1cc(F)c[n-]c1=O ZINC000857293824 588904790 /nfs/dbraw/zinc/90/47/90/588904790.db2.gz YLWJKYGPNGUFNF-HTQZYQBOSA-N -1 3 226.207 0.179 20 0 BCADHM Cc1nc(N2CC[C@@]3(O)C[C@H]3C2)cc(=O)[n-]1 ZINC000894565436 583484335 /nfs/dbraw/zinc/48/43/35/583484335.db2.gz IOUCKGFYCMZNAN-GZMMTYOYSA-N -1 3 221.260 0.452 20 0 BCADHM Cc1nc(N(C)Cc2cn(C)nn2)cc(=O)[n-]1 ZINC000894570381 583485991 /nfs/dbraw/zinc/48/59/91/583485991.db2.gz YRAGEUMDGNLITQ-UHFFFAOYSA-N -1 3 234.263 0.256 20 0 BCADHM C[C@@H](O)[C@H]1CCCN1c1cc(=O)[n-]cn1 ZINC000894572786 583486107 /nfs/dbraw/zinc/48/61/07/583486107.db2.gz NUWKQJKAWDVZFF-HTQZYQBOSA-N -1 3 209.249 0.532 20 0 BCADHM CCn1ncc(CNc2cc(=O)[n-]c(C)n2)n1 ZINC000894697374 583508400 /nfs/dbraw/zinc/50/84/00/583508400.db2.gz MGOCUAJYNIXUSN-UHFFFAOYSA-N -1 3 234.263 0.714 20 0 BCADHM COC[C@@]1(C)CN(c2cc(=O)[n-]cn2)CCO1 ZINC000894837010 583529557 /nfs/dbraw/zinc/52/95/57/583529557.db2.gz RTNPTWNPICDLOR-LLVKDONJSA-N -1 3 239.275 0.424 20 0 BCADHM Cc1nonc1CNc1cc(=O)[n-]c(C)n1 ZINC000895092863 583587181 /nfs/dbraw/zinc/58/71/81/583587181.db2.gz YWDGEJQCPQIUST-UHFFFAOYSA-N -1 3 221.220 0.794 20 0 BCADHM COC[C@H]1CCCN1CCNC(=O)[O-] ZINC000142437305 583612046 /nfs/dbraw/zinc/61/20/46/583612046.db2.gz LTUDNQWRGGVHIC-MRVPVSSYSA-N -1 3 202.254 0.365 20 0 BCADHM COC(=O)CC1CC(Nc2cc(=O)[n-]cn2)C1 ZINC000895497975 583681404 /nfs/dbraw/zinc/68/14/04/583681404.db2.gz IGBZJRBYIZLOEG-UHFFFAOYSA-N -1 3 237.259 0.936 20 0 BCADHM C[C@H]1CCN(c2nc3nncc-3c(O)[n-]2)CCO1 ZINC000895758184 583721317 /nfs/dbraw/zinc/72/13/17/583721317.db2.gz NKNDLEMNJXLSDU-ZETCQYMHSA-N -1 3 249.274 0.674 20 0 BCADHM C[C@@H]1CCN(c2nc3nncc-3c(O)[n-]2)CCO1 ZINC000895758183 583721531 /nfs/dbraw/zinc/72/15/31/583721531.db2.gz NKNDLEMNJXLSDU-SSDOTTSWSA-N -1 3 249.274 0.674 20 0 BCADHM CN1CC[C@@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000895767600 583723028 /nfs/dbraw/zinc/72/30/28/583723028.db2.gz OKHOBFKNGASVOU-ZCFIWIBFSA-N -1 3 228.683 0.952 20 0 BCADHM Cc1nc(NCCO[C@@H]2CCOC2)cc(=O)[n-]1 ZINC000896472179 583803139 /nfs/dbraw/zinc/80/31/39/583803139.db2.gz KAMVMNIFLFKMLI-SECBINFHSA-N -1 3 239.275 0.708 20 0 BCADHM CO[N-]C(=O)CNCc1cnc2ccccc2n1 ZINC000896924458 583857833 /nfs/dbraw/zinc/85/78/33/583857833.db2.gz MSJGGDYFAKBHED-UHFFFAOYSA-N -1 3 246.270 0.397 20 0 BCADHM CO[N-]C(=O)CN[C@@H](C)c1cnc(C)nc1C ZINC000896923745 583858829 /nfs/dbraw/zinc/85/88/29/583858829.db2.gz HQRBFBZQIMSSMI-ZETCQYMHSA-N -1 3 238.291 0.422 20 0 BCADHM CO[N-]C(=O)CN[C@H](C)Cc1ccsc1 ZINC000896927369 583859535 /nfs/dbraw/zinc/85/95/35/583859535.db2.gz QZTSUEISKYLZSR-MRVPVSSYSA-N -1 3 228.317 0.946 20 0 BCADHM COCCOC[C@@H](C)NCc1cncc([O-])c1 ZINC000897304900 583912934 /nfs/dbraw/zinc/91/29/34/583912934.db2.gz KWBHTNBDVDKKGZ-SNVBAGLBSA-N -1 3 240.303 0.928 20 0 BCADHM CO[N-]C(=O)CCCCCC(=O)NOC ZINC000729833344 584027072 /nfs/dbraw/zinc/02/70/72/584027072.db2.gz AJTXRTPAGZGZNO-UHFFFAOYSA-N -1 3 218.253 0.292 20 0 BCADHM C[C@H]1CO[C@H](C(=O)[N-]c2nncn2C2CC2)C1 ZINC000897695160 584041113 /nfs/dbraw/zinc/04/11/13/584041113.db2.gz XRSLRGYWGPZMDW-APPZFPTMSA-N -1 3 236.275 0.977 20 0 BCADHM CC(C)([N-]C(=O)C(F)F)c1cn[nH]n1 ZINC000898148912 584087806 /nfs/dbraw/zinc/08/78/06/584087806.db2.gz SUKFMSKFMSWIIU-UHFFFAOYSA-N -1 3 204.180 0.421 20 0 BCADHM COc1cc(C)cc(C(=O)NOCCO)c1[O-] ZINC000787293166 584118111 /nfs/dbraw/zinc/11/81/11/584118111.db2.gz KUNYTFCRAQCXQD-UHFFFAOYSA-N -1 3 241.243 0.363 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898728670 584155601 /nfs/dbraw/zinc/15/56/01/584155601.db2.gz NBWGNZZKJRXEFG-VGMNWLOBSA-N -1 3 223.276 0.271 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)C1CCCC1 ZINC000898730194 584155689 /nfs/dbraw/zinc/15/56/89/584155689.db2.gz XLBMORVGNQKZQD-JTQLQIEISA-N -1 3 237.303 0.805 20 0 BCADHM C/C(=C/C(=O)NCCCc1c[n-][nH]c1=O)C1CC1 ZINC000898731232 584155896 /nfs/dbraw/zinc/15/58/96/584155896.db2.gz DUICLKAWSWJCIY-GXMKHXEJSA-N -1 3 249.314 0.971 20 0 BCADHM Cc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)o1 ZINC000898726444 584156097 /nfs/dbraw/zinc/15/60/97/584156097.db2.gz ZCZHQPVYNBMOLZ-SECBINFHSA-N -1 3 249.270 0.830 20 0 BCADHM CSCCC(=O)NCCCc1c[n-][nH]c1=O ZINC000898732190 584156118 /nfs/dbraw/zinc/15/61/18/584156118.db2.gz QHRWSUUBMPQOEE-QMMMGPOBSA-N -1 3 243.332 0.368 20 0 BCADHM CS[C@@H](C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898729136 584156122 /nfs/dbraw/zinc/15/61/22/584156122.db2.gz DLMDYZMTMWDGTI-JGVFFNPUSA-N -1 3 243.332 0.366 20 0 BCADHM O=C(CCC1CC1)NCCCc1c[n-][nH]c1=O ZINC000898732708 584156195 /nfs/dbraw/zinc/15/61/95/584156195.db2.gz NGAKVUVMBFUBNP-JTQLQIEISA-N -1 3 237.303 0.805 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000898744309 584156235 /nfs/dbraw/zinc/15/62/35/584156235.db2.gz ZAOOOJOTNGXBCX-UKKRHICBSA-N -1 3 249.314 0.661 20 0 BCADHM CC(C)[C@@H](F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739414 584157068 /nfs/dbraw/zinc/15/70/68/584157068.db2.gz JBHCMUTXEUCAJU-DTWKUNHWSA-N -1 3 243.282 0.609 20 0 BCADHM CC[C@@H]1C[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898740718 584157220 /nfs/dbraw/zinc/15/72/20/584157220.db2.gz TXOJDSQDICGSOB-KXUCPTDWSA-N -1 3 237.303 0.661 20 0 BCADHM Cc1cocc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898742863 584157315 /nfs/dbraw/zinc/15/73/15/584157315.db2.gz KNHIWWMVIPEKFC-SECBINFHSA-N -1 3 249.270 0.830 20 0 BCADHM C/C=C(\CC)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739033 584157553 /nfs/dbraw/zinc/15/75/53/584157553.db2.gz GKFJHZCVIKSPOC-OTVCUZDGSA-N -1 3 237.303 0.971 20 0 BCADHM O=C(C[C@@H]1CCC2(CCC2)O1)[N-]OCCO ZINC000898939877 584167338 /nfs/dbraw/zinc/16/73/38/584167338.db2.gz YCYTYLXAZBDYEZ-VIFPVBQESA-N -1 3 229.276 0.518 20 0 BCADHM C[C@@H]1C(=O)N([N-]C(=O)c2ccncc2)C(=O)N1C ZINC000899025377 584169160 /nfs/dbraw/zinc/16/91/60/584169160.db2.gz KGVQBJVLIWNJPP-SSDOTTSWSA-N -1 3 248.242 0.009 20 0 BCADHM CC(C)[C@H](F)C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O ZINC000899036926 584172539 /nfs/dbraw/zinc/17/25/39/584172539.db2.gz YLCMQQRGKBYHDH-RQJHMYQMSA-N -1 3 245.254 0.294 20 0 BCADHM Cc1[n-]n(-c2cnnn2C)c(=O)c1C(C)C ZINC000899356602 584202384 /nfs/dbraw/zinc/20/23/84/584202384.db2.gz NMMRJVSDWXTPHO-VIFPVBQESA-N -1 3 221.264 0.810 20 0 BCADHM CC[C@@H](O)[C@@H](C)C(=O)[N-]C1=NCCS1 ZINC000900005829 584264335 /nfs/dbraw/zinc/26/43/35/584264335.db2.gz KLICURAFLLLCNF-RNFRBKRXSA-N -1 3 216.306 0.612 20 0 BCADHM CCC/C=C\[C@@H](O)C(=O)[N-]C1=NCCS1 ZINC000900005691 584264405 /nfs/dbraw/zinc/26/44/05/584264405.db2.gz GNRVMJSMJIQXOX-PULIVWKDSA-N -1 3 228.317 0.923 20 0 BCADHM CC[C@H](O)[C@@H](C)C(=O)Nc1nnc(SC)[n-]1 ZINC000900442730 584308445 /nfs/dbraw/zinc/30/84/45/584308445.db2.gz PCQMKLCPPJQGPW-RITPCOANSA-N -1 3 244.320 0.872 20 0 BCADHM CC[C@H](O)[C@@H](C)C(=O)Nc1nc(SC)n[n-]1 ZINC000900442730 584308446 /nfs/dbraw/zinc/30/84/46/584308446.db2.gz PCQMKLCPPJQGPW-RITPCOANSA-N -1 3 244.320 0.872 20 0 BCADHM CC[C@H](O)[C@@H](C)C(=O)Nc1n[n-]c(SC)n1 ZINC000900442730 584308448 /nfs/dbraw/zinc/30/84/48/584308448.db2.gz PCQMKLCPPJQGPW-RITPCOANSA-N -1 3 244.320 0.872 20 0 BCADHM CSc1nnc(NC(=O)CC2COC2)[n-]1 ZINC000900439966 584310926 /nfs/dbraw/zinc/31/09/26/584310926.db2.gz DBCJIMFVXVLLKE-UHFFFAOYSA-N -1 3 228.277 0.502 20 0 BCADHM CSc1n[n-]c(NC(=O)CC2COC2)n1 ZINC000900439966 584310927 /nfs/dbraw/zinc/31/09/27/584310927.db2.gz DBCJIMFVXVLLKE-UHFFFAOYSA-N -1 3 228.277 0.502 20 0 BCADHM CSc1nc(NC(=O)CC2COC2)n[n-]1 ZINC000900439966 584310928 /nfs/dbraw/zinc/31/09/28/584310928.db2.gz DBCJIMFVXVLLKE-UHFFFAOYSA-N -1 3 228.277 0.502 20 0 BCADHM O=C(Nc1nnn[n-]1)[C@@H]1CC[C@H]2CCCCN21 ZINC000900746975 584348990 /nfs/dbraw/zinc/34/89/90/584348990.db2.gz SSYUPHWEGQTIRR-SFYZADRCSA-N -1 3 236.279 0.155 20 0 BCADHM CCN[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccoc1 ZINC000901033434 584375752 /nfs/dbraw/zinc/37/57/52/584375752.db2.gz KWEJSDFFDVTGNZ-ZETCQYMHSA-N -1 3 246.288 0.083 20 0 BCADHM CNCC(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000901020391 584377646 /nfs/dbraw/zinc/37/76/46/584377646.db2.gz USFMYMGOZQROQV-UHFFFAOYSA-N -1 3 248.348 0.232 20 0 BCADHM Cc1ccsc1C(=O)[N-]S(=O)(=O)CCN ZINC000901093391 584384096 /nfs/dbraw/zinc/38/40/96/584384096.db2.gz FCJWORNAXMKIAJ-UHFFFAOYSA-N -1 3 248.329 0.075 20 0 BCADHM NCCS(=O)(=O)[N-]C(=O)C1CCCCCC1 ZINC000901097374 584385425 /nfs/dbraw/zinc/38/54/25/584385425.db2.gz YLCRMRKGRPSAQV-UHFFFAOYSA-N -1 3 248.348 0.362 20 0 BCADHM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)CCN ZINC000901101779 584388077 /nfs/dbraw/zinc/38/80/77/584388077.db2.gz NQLQFMXDINFHOV-BQYQJAHWSA-N -1 3 234.321 0.138 20 0 BCADHM CC1=NO[C@@](C)(C(=O)[N-]C2=NCCS2)C1 ZINC000901154176 584391850 /nfs/dbraw/zinc/39/18/50/584391850.db2.gz KPUFFMDXRMZWNO-SECBINFHSA-N -1 3 227.289 0.760 20 0 BCADHM COc1nnc(NC(=O)c2cnc(C)n2C)[n-]1 ZINC000901288038 584422791 /nfs/dbraw/zinc/42/27/91/584422791.db2.gz RTFRNAJXHZUPNF-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1nc(NC(=O)c2cnc(C)n2C)n[n-]1 ZINC000901288038 584422792 /nfs/dbraw/zinc/42/27/92/584422792.db2.gz RTFRNAJXHZUPNF-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM COc1n[n-]c(NC(=O)c2cnc(C)n2C)n1 ZINC000901288038 584422793 /nfs/dbraw/zinc/42/27/93/584422793.db2.gz RTFRNAJXHZUPNF-UHFFFAOYSA-N -1 3 236.235 0.108 20 0 BCADHM CC[C@@H](C(=O)NC1(C(=O)[O-])CCCC1)N(C)C ZINC000901430633 584444878 /nfs/dbraw/zinc/44/48/78/584444878.db2.gz FUMSAASOIYCEIN-VIFPVBQESA-N -1 3 242.319 0.840 20 0 BCADHM CCO[C@@H](C)SCCc1nnn[n-]1 ZINC000901564180 584463552 /nfs/dbraw/zinc/46/35/52/584463552.db2.gz FADYYECMHMVPCE-ZCFIWIBFSA-N -1 3 202.283 0.858 20 0 BCADHM CCO[C@@H](C)SCCc1nn[n-]n1 ZINC000901564180 584463553 /nfs/dbraw/zinc/46/35/53/584463553.db2.gz FADYYECMHMVPCE-ZCFIWIBFSA-N -1 3 202.283 0.858 20 0 BCADHM Cn1cncc1CN[C@@](C)(CCF)C(=O)[O-] ZINC000901915782 584503618 /nfs/dbraw/zinc/50/36/18/584503618.db2.gz PMUHGXPUHJEFII-JTQLQIEISA-N -1 3 229.255 0.713 20 0 BCADHM COCC(C)(C)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000901932102 584505662 /nfs/dbraw/zinc/50/56/62/584505662.db2.gz RLWSHTFVMQPEHO-ZJUUUORDSA-N -1 3 245.319 0.833 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](CC)N(C)C ZINC000902019772 584514264 /nfs/dbraw/zinc/51/42/64/584514264.db2.gz STJBAOULJZWGMW-IUCAKERBSA-N -1 3 230.308 0.648 20 0 BCADHM CC(C)N(C)CC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000902111507 584526950 /nfs/dbraw/zinc/52/69/50/584526950.db2.gz HHZSVPRQWQUNEV-LBPRGKRZSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@H](C(=O)N1CCC[C@@]1(C)C(=O)[O-])N(C)C ZINC000902111614 584526968 /nfs/dbraw/zinc/52/69/68/584526968.db2.gz CZTQSDWRXNGJBB-SKDRFNHKSA-N -1 3 242.319 0.792 20 0 BCADHM Cn1c(=O)[n-]nc1SCc1cnsn1 ZINC000902201078 584537606 /nfs/dbraw/zinc/53/76/06/584537606.db2.gz GGLCZRIDWPTFAB-UHFFFAOYSA-N -1 3 229.290 0.665 20 0 BCADHM CC(C)(C)CC(=O)[N-]OC[C@@H]1CNC(=O)C1 ZINC000902418529 584591519 /nfs/dbraw/zinc/59/15/19/584591519.db2.gz IJPSWJDKKCLVFQ-QMMMGPOBSA-N -1 3 228.292 0.607 20 0 BCADHM CNc1ccccc1CNCC(=O)[N-]OC ZINC000902656902 584650409 /nfs/dbraw/zinc/65/04/09/584650409.db2.gz KVKUKLFWCSWCBS-UHFFFAOYSA-N -1 3 223.276 0.496 20 0 BCADHM CCN(CC)CC(=O)NC1CC(C(=O)[O-])C1 ZINC000902652859 584651511 /nfs/dbraw/zinc/65/15/11/584651511.db2.gz JUSOBITVGMVXLB-UHFFFAOYSA-N -1 3 228.292 0.308 20 0 BCADHM Cn1nnnc1[N-]C(=O)CC(F)(F)C(F)F ZINC000904189652 584848691 /nfs/dbraw/zinc/84/86/91/584848691.db2.gz VHBPKYUVVAJUGP-UHFFFAOYSA-N -1 3 241.148 0.439 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000904190315 584848821 /nfs/dbraw/zinc/84/88/21/584848821.db2.gz FTVZMMLTPCFBKC-RNFRBKRXSA-N -1 3 223.280 0.831 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@@H]1CC=CCC1 ZINC000904189713 584848977 /nfs/dbraw/zinc/84/89/77/584848977.db2.gz XPMMVHQFDLKTJM-MRVPVSSYSA-N -1 3 221.264 0.895 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000904191292 584849122 /nfs/dbraw/zinc/84/91/22/584849122.db2.gz JDTRLQATIRQBQO-BIIVOSGPSA-N -1 3 221.264 0.585 20 0 BCADHM C[C@@H](C(=O)[N-]c1nnnn1C)C1CCC1 ZINC000904191968 584849259 /nfs/dbraw/zinc/84/92/59/584849259.db2.gz UXTWTOKMKPWUIL-ZCFIWIBFSA-N -1 3 209.253 0.585 20 0 BCADHM CO[C@@H]1CCCC[C@H]1C(=O)[N-]c1nnnn1C ZINC000904191777 584849381 /nfs/dbraw/zinc/84/93/81/584849381.db2.gz PCIRCBTZNXJYAX-HTQZYQBOSA-N -1 3 239.279 0.354 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@]1(C)CCCCO1 ZINC000904191898 584849400 /nfs/dbraw/zinc/84/94/00/584849400.db2.gz RLHIFDOWLNPSGI-VIFPVBQESA-N -1 3 225.252 0.108 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000904192032 584849425 /nfs/dbraw/zinc/84/94/25/584849425.db2.gz XKDIFIVKVFZKHW-DTWKUNHWSA-N -1 3 235.291 0.975 20 0 BCADHM Cc1ccoc1CC(=O)[N-]c1nnnn1C ZINC000904191305 584849536 /nfs/dbraw/zinc/84/95/36/584849536.db2.gz QPPNGNGRFHHTNO-UHFFFAOYSA-N -1 3 221.220 0.293 20 0 BCADHM Cn1nnnc1[N-]C(=O)C[C@H]1CCC(F)(F)C1 ZINC000904193712 584849691 /nfs/dbraw/zinc/84/96/91/584849691.db2.gz LXAJBKVMFVVLPR-ZCFIWIBFSA-N -1 3 245.233 0.974 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CCC(F)(F)C1 ZINC000904194282 584849853 /nfs/dbraw/zinc/84/98/53/584849853.db2.gz ZXZINMIHBGMRDU-YFKPBYRVSA-N -1 3 231.206 0.584 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1C[C@@H]1C(F)F ZINC000904193748 584849877 /nfs/dbraw/zinc/84/98/77/584849877.db2.gz MZXHRKXEYMBOPY-IMJSIDKUSA-N -1 3 217.179 0.050 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCCCS1 ZINC000904194507 584850058 /nfs/dbraw/zinc/85/00/58/584850058.db2.gz BCSAAMKSQYXCNK-LURJTMIESA-N -1 3 227.293 0.434 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CCCCS1 ZINC000904194508 584850091 /nfs/dbraw/zinc/85/00/91/584850091.db2.gz BCSAAMKSQYXCNK-ZCFIWIBFSA-N -1 3 227.293 0.434 20 0 BCADHM CCOC1CC(CC(=O)[N-]c2nnnn2C)C1 ZINC000904195526 584850093 /nfs/dbraw/zinc/85/00/93/584850093.db2.gz OZIJLGXXZHUHML-UHFFFAOYSA-N -1 3 239.279 0.354 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CCC(C)(C)C1 ZINC000904195726 584850112 /nfs/dbraw/zinc/85/01/12/584850112.db2.gz PIWGDFPIPIFVII-ZETCQYMHSA-N -1 3 223.280 0.975 20 0 BCADHM CCC(=CC(=O)[N-]c1nnnn1C)CC ZINC000904194404 584850124 /nfs/dbraw/zinc/85/01/24/584850124.db2.gz FCOGEBANXIYILL-UHFFFAOYSA-N -1 3 209.253 0.895 20 0 BCADHM COC1(CC(=O)[N-]c2nnnn2C)CCC1 ZINC000904194754 584850127 /nfs/dbraw/zinc/85/01/27/584850127.db2.gz FADUSWKEQVXUAK-UHFFFAOYSA-N -1 3 225.252 0.108 20 0 BCADHM Cn1nnnc1[N-]C(=O)C(F)=C1CCCC1 ZINC000904194424 584850141 /nfs/dbraw/zinc/85/01/41/584850141.db2.gz FVSOOGNVDZYLIG-UHFFFAOYSA-N -1 3 225.227 0.946 20 0 BCADHM CSC1(C(=O)[N-]c2nnnn2C)CC1 ZINC000904195071 584850160 /nfs/dbraw/zinc/85/01/60/584850160.db2.gz IOXUIYITLZGFMB-UHFFFAOYSA-N -1 3 213.266 0.044 20 0 BCADHM C[C@H]1CC[C@H](C(=O)[N-]c2nnnn2C)C1 ZINC000904194936 584850377 /nfs/dbraw/zinc/85/03/77/584850377.db2.gz HIVBSDNLPHZTIZ-BQBZGAKWSA-N -1 3 209.253 0.585 20 0 BCADHM C[C@H](Oc1cccnc1)C(=O)[N-]c1nnnn1C ZINC000904198521 584850516 /nfs/dbraw/zinc/85/05/16/584850516.db2.gz GOSXRFQDWCHRFL-ZETCQYMHSA-N -1 3 248.246 0.011 20 0 BCADHM CCc1cccc(CC(=O)[N-]c2nnnn2C)c1 ZINC000904195904 584850523 /nfs/dbraw/zinc/85/05/23/584850523.db2.gz XMYDZXHJMTUSSV-UHFFFAOYSA-N -1 3 245.286 0.954 20 0 BCADHM C[C@@H]1C[C@H](C(=O)[N-]c2nnnn2C)CCC1=O ZINC000904196107 584850756 /nfs/dbraw/zinc/85/07/56/584850756.db2.gz SQFHINOSCDBZPF-RNFRBKRXSA-N -1 3 237.263 0.154 20 0 BCADHM COCCC[C@@H](C)C(=O)[N-]c1nnnn1C ZINC000904196382 584850822 /nfs/dbraw/zinc/85/08/22/584850822.db2.gz YJZKTBYNWNGMOJ-SSDOTTSWSA-N -1 3 227.268 0.211 20 0 BCADHM C[C@@H](C(=O)[N-]c1nnnn1C)c1ccco1 ZINC000904200652 584851201 /nfs/dbraw/zinc/85/12/01/584851201.db2.gz YGKAHNPIVKPHKK-ZCFIWIBFSA-N -1 3 221.220 0.545 20 0 BCADHM Cc1ccc([C@H](C)C(=O)[N-]c2nnnn2C)o1 ZINC000904199029 584851208 /nfs/dbraw/zinc/85/12/08/584851208.db2.gz MVSYMPHZSPHGOB-ZETCQYMHSA-N -1 3 235.247 0.854 20 0 BCADHM C[C@@H](C(=O)[N-]c1nnnn1C)C(F)(F)F ZINC000904199989 584851352 /nfs/dbraw/zinc/85/13/52/584851352.db2.gz URWQCWVEXVPRCX-VKHMYHEASA-N -1 3 223.158 0.347 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H]2CNOC2)n1 ZINC000904421596 584882366 /nfs/dbraw/zinc/88/23/66/584882366.db2.gz KPSHBEYXRLERPT-MRVPVSSYSA-N -1 3 209.249 0.089 20 0 BCADHM CC(C)[C@@H]1CCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000826735236 584895172 /nfs/dbraw/zinc/89/51/72/584895172.db2.gz BYFFSYAFZBSBQY-VHSXEESVSA-N -1 3 242.319 0.554 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)NCCN(C)C1CC1 ZINC000827291550 584898171 /nfs/dbraw/zinc/89/81/71/584898171.db2.gz LDDVUYWAXYVAFL-MRVPVSSYSA-N -1 3 228.292 0.308 20 0 BCADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1CC(=O)N1 ZINC000831582549 584910305 /nfs/dbraw/zinc/91/03/05/584910305.db2.gz YQNQICROFXMBSR-QMMMGPOBSA-N -1 3 234.255 0.918 20 0 BCADHM C[C@@H]1CN(Cc2ccc(CO)o2)C[C@@H]1C(=O)[O-] ZINC000833630005 584912873 /nfs/dbraw/zinc/91/28/73/584912873.db2.gz OGHNCRSQLARRMN-KCJUWKMLSA-N -1 3 239.271 0.924 20 0 BCADHM C[C@@H]1COCC[C@H]1C(=O)[N-]OCC(C)(C)O ZINC000834621986 584914207 /nfs/dbraw/zinc/91/42/07/584914207.db2.gz NXPPMVQQELBSOP-RKDXNWHRSA-N -1 3 231.292 0.478 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@@H]2CCCOC2)CC1 ZINC000808024612 584914338 /nfs/dbraw/zinc/91/43/38/584914338.db2.gz MNQVKEPPXJIKBA-SNVBAGLBSA-N -1 3 242.319 0.555 20 0 BCADHM COCCN1CCN(CCCC(=O)[O-])C[C@@H]1C ZINC000737814716 584925865 /nfs/dbraw/zinc/92/58/65/584925865.db2.gz YDMAXGYNVDHDDL-NSHDSACASA-N -1 3 244.335 0.504 20 0 BCADHM O=C(OC[C@@H]1CCOC1)c1cncc([O-])c1 ZINC000732392208 584936537 /nfs/dbraw/zinc/93/65/37/584936537.db2.gz DQKREDSYRSTUNR-MRVPVSSYSA-N -1 3 223.228 0.981 20 0 BCADHM Cn1cc(COC(=O)c2cncc([O-])c2)cn1 ZINC000732394745 584936716 /nfs/dbraw/zinc/93/67/16/584936716.db2.gz TWKSDELRRNWUSD-UHFFFAOYSA-N -1 3 233.227 0.878 20 0 BCADHM CCOC[C@@H](O)CN1CCC[C@H](NC(=O)[O-])C1 ZINC000737876122 584937469 /nfs/dbraw/zinc/93/74/69/584937469.db2.gz FDDAPMMRRFFRKK-UWVGGRQHSA-N -1 3 246.307 0.116 20 0 BCADHM CO[C@@H](CNC(=O)c1c[n-]nn1)C(F)(F)F ZINC000733280010 584945673 /nfs/dbraw/zinc/94/56/73/584945673.db2.gz QAVXVHFVBUHTGQ-YFKPBYRVSA-N -1 3 238.169 0.112 20 0 BCADHM CO[C@@H](CNC(=O)c1cnn[n-]1)C(F)(F)F ZINC000733280010 584945674 /nfs/dbraw/zinc/94/56/74/584945674.db2.gz QAVXVHFVBUHTGQ-YFKPBYRVSA-N -1 3 238.169 0.112 20 0 BCADHM CO[C@@H](CNC(=O)c1cn[n-]n1)C(F)(F)F ZINC000733280010 584945675 /nfs/dbraw/zinc/94/56/75/584945675.db2.gz QAVXVHFVBUHTGQ-YFKPBYRVSA-N -1 3 238.169 0.112 20 0 BCADHM CC(C)CCCOC(=O)CN1CC(=O)[N-]C1=O ZINC000735911905 584983705 /nfs/dbraw/zinc/98/37/05/584983705.db2.gz XERURYUSUHQNHC-UHFFFAOYSA-N -1 3 242.275 0.518 20 0 BCADHM NC(=O)COC(=O)c1c[n-]c(-c2ccccc2)n1 ZINC000735958566 584984729 /nfs/dbraw/zinc/98/47/29/584984729.db2.gz MPWLOETWRLVKBU-UHFFFAOYSA-N -1 3 245.238 0.719 20 0 BCADHM C[C@H]1C[C@H]1C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736234203 584992820 /nfs/dbraw/zinc/99/28/20/584992820.db2.gz IOAUYRJJXUSALZ-NKWVEPMBSA-N -1 3 244.258 0.278 20 0 BCADHM C[C@H]1C[C@H]1C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736234203 584992821 /nfs/dbraw/zinc/99/28/21/584992821.db2.gz IOAUYRJJXUSALZ-NKWVEPMBSA-N -1 3 244.258 0.278 20 0 BCADHM CC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736324682 584997498 /nfs/dbraw/zinc/99/74/98/584997498.db2.gz HKHXLZYLSNPUMS-ZETCQYMHSA-N -1 3 246.274 0.790 20 0 BCADHM CC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736324682 584997499 /nfs/dbraw/zinc/99/74/99/584997499.db2.gz HKHXLZYLSNPUMS-ZETCQYMHSA-N -1 3 246.274 0.790 20 0 BCADHM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H](C)N(C)C ZINC000736366422 584999565 /nfs/dbraw/zinc/99/95/65/584999565.db2.gz CBVXXOZRJWQICS-BDAKNGLRSA-N -1 3 245.323 0.345 20 0 BCADHM CC(C)CCN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC000736428299 585001684 /nfs/dbraw/zinc/00/16/84/585001684.db2.gz ZGFFUPLQHSGFEY-SNVBAGLBSA-N -1 3 242.319 0.698 20 0 BCADHM CCC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC000736437162 585002074 /nfs/dbraw/zinc/00/20/74/585002074.db2.gz TVLOLBQEXDFYNI-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CCC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC000736437162 585002075 /nfs/dbraw/zinc/00/20/75/585002075.db2.gz TVLOLBQEXDFYNI-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1CCCN1C ZINC000736462785 585003636 /nfs/dbraw/zinc/00/36/36/585003636.db2.gz CERRVQWIXITJDM-SNVBAGLBSA-N -1 3 242.319 0.792 20 0 BCADHM CCN(CC)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736529718 585005383 /nfs/dbraw/zinc/00/53/83/585005383.db2.gz QDMKFQVCIVAEJR-UHFFFAOYSA-N -1 3 246.274 0.744 20 0 BCADHM CCN(CC)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736529718 585005384 /nfs/dbraw/zinc/00/53/84/585005384.db2.gz QDMKFQVCIVAEJR-UHFFFAOYSA-N -1 3 246.274 0.744 20 0 BCADHM C[C@@H](CN(CC(=O)N1CCC1)C1CC1)C(=O)[O-] ZINC000736577701 585006204 /nfs/dbraw/zinc/00/62/04/585006204.db2.gz FTXPEZMOFUFRPH-VIFPVBQESA-N -1 3 240.303 0.404 20 0 BCADHM C[C@H](CNC(=O)CN(C)C(=O)[O-])N(C)C1CC1 ZINC000736596034 585007104 /nfs/dbraw/zinc/00/71/04/585007104.db2.gz UFLAWLZREGVDBK-MRVPVSSYSA-N -1 3 243.307 0.195 20 0 BCADHM C[C@@H](O)CN1CCN(CCCC(=O)[O-])C[C@H]1C ZINC000736676534 585009247 /nfs/dbraw/zinc/00/92/47/585009247.db2.gz IWZHMPRNRHZHDO-GHMZBOCLSA-N -1 3 244.335 0.238 20 0 BCADHM CC(C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820142534 585010654 /nfs/dbraw/zinc/01/06/54/585010654.db2.gz OXKDVKDJAMVYKE-UHFFFAOYSA-N -1 3 235.247 0.770 20 0 BCADHM CC(C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820142534 585010655 /nfs/dbraw/zinc/01/06/55/585010655.db2.gz OXKDVKDJAMVYKE-UHFFFAOYSA-N -1 3 235.247 0.770 20 0 BCADHM C[C@@H]1C[C@H](C)CN(CC(=O)NCCC(=O)[O-])C1 ZINC000736751895 585011681 /nfs/dbraw/zinc/01/16/81/585011681.db2.gz YPIWSVBLZJFHCA-AOOOYVTPSA-N -1 3 242.319 0.555 20 0 BCADHM CCn1nnnc1[N-]C(=O)N1CCCC[C@@H]1C ZINC000888345162 585012667 /nfs/dbraw/zinc/01/26/67/585012667.db2.gz RCXBAUJGINCEHK-QMMMGPOBSA-N -1 3 238.295 0.521 20 0 BCADHM CN(C)c1ncc(CN(C)CCC(=O)[O-])cn1 ZINC000820586299 585013898 /nfs/dbraw/zinc/01/38/98/585013898.db2.gz SUMUMHFOZIMTJA-UHFFFAOYSA-N -1 3 238.291 0.449 20 0 BCADHM COC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736966726 585020853 /nfs/dbraw/zinc/02/08/53/585020853.db2.gz YVPBRAOFMDEEEE-UHFFFAOYSA-N -1 3 245.286 0.697 20 0 BCADHM COC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736966726 585020854 /nfs/dbraw/zinc/02/08/54/585020854.db2.gz YVPBRAOFMDEEEE-UHFFFAOYSA-N -1 3 245.286 0.697 20 0 BCADHM CCCN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000737007403 585022238 /nfs/dbraw/zinc/02/22/38/585022238.db2.gz HDFZVPPHWRDHCY-UHFFFAOYSA-N -1 3 243.307 0.150 20 0 BCADHM CC[C@H](C)COC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000756356722 585022381 /nfs/dbraw/zinc/02/23/81/585022381.db2.gz UBQWVADVOSNLSL-JGVFFNPUSA-N -1 3 242.275 0.564 20 0 BCADHM CCN(CC(=O)NCCC(=O)[O-])C1CCC1 ZINC000737068456 585024645 /nfs/dbraw/zinc/02/46/45/585024645.db2.gz QUFMZSJIARANNL-UHFFFAOYSA-N -1 3 228.292 0.452 20 0 BCADHM CCN1CCN(C[C@@H](C)CNC(=O)[O-])CC1 ZINC000737115001 585025887 /nfs/dbraw/zinc/02/58/87/585025887.db2.gz DZSMSHZNCDNASW-JTQLQIEISA-N -1 3 229.324 0.528 20 0 BCADHM CCN1CCCC[C@H]1CNC(=O)CNC(=O)[O-] ZINC000737114736 585025964 /nfs/dbraw/zinc/02/59/64/585025964.db2.gz FHKBMYDTHTUMID-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM CCN1CCN(C[C@H](C)CNC(=O)[O-])CC1 ZINC000737115002 585025978 /nfs/dbraw/zinc/02/59/78/585025978.db2.gz DZSMSHZNCDNASW-SNVBAGLBSA-N -1 3 229.324 0.528 20 0 BCADHM CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[O-] ZINC000737348703 585030624 /nfs/dbraw/zinc/03/06/24/585030624.db2.gz UJEYXYDLIQLQON-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM CN(CC(=O)NCCC(=O)[O-])C1CCCCC1 ZINC000737394029 585031307 /nfs/dbraw/zinc/03/13/07/585031307.db2.gz HUGXVGAQOLQFKE-UHFFFAOYSA-N -1 3 242.319 0.842 20 0 BCADHM CN(CC(=O)NC[C@H]1CCCN(C)C1)C(=O)[O-] ZINC000737516020 585034528 /nfs/dbraw/zinc/03/45/28/585034528.db2.gz YRNKRMBVQPGIMJ-SECBINFHSA-N -1 3 243.307 0.054 20 0 BCADHM CNC(=O)c1cccc(CN(C)CC(=O)[O-])c1 ZINC000737550867 585036014 /nfs/dbraw/zinc/03/60/14/585036014.db2.gz QCQXSYWTNSXXKX-UHFFFAOYSA-N -1 3 236.271 0.563 20 0 BCADHM CC=CC(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000737858413 585038905 /nfs/dbraw/zinc/03/89/05/585038905.db2.gz GQHYLVGLJQJDMZ-ONEGZZNKSA-N -1 3 224.220 0.035 20 0 BCADHM CC=CC(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000737858413 585038906 /nfs/dbraw/zinc/03/89/06/585038906.db2.gz GQHYLVGLJQJDMZ-ONEGZZNKSA-N -1 3 224.220 0.035 20 0 BCADHM C/C=C/C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000737858413 585038907 /nfs/dbraw/zinc/03/89/07/585038907.db2.gz GQHYLVGLJQJDMZ-ONEGZZNKSA-N -1 3 224.220 0.035 20 0 BCADHM COC[C@@H](O)CN1CCC(N(C)C(=O)[O-])CC1 ZINC000738059711 585040475 /nfs/dbraw/zinc/04/04/75/585040475.db2.gz IZQSQTGNDPYLEH-JTQLQIEISA-N -1 3 246.307 0.068 20 0 BCADHM O=C(OCCF)c1ccc(-c2nnn[n-]2)cn1 ZINC000738219346 585041847 /nfs/dbraw/zinc/04/18/47/585041847.db2.gz CYULHYACOVEBRL-UHFFFAOYSA-N -1 3 237.194 0.388 20 0 BCADHM O=C(OCCF)c1ccc(-c2nn[n-]n2)cn1 ZINC000738219346 585041848 /nfs/dbraw/zinc/04/18/48/585041848.db2.gz CYULHYACOVEBRL-UHFFFAOYSA-N -1 3 237.194 0.388 20 0 BCADHM CC[C@H](C)OC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000738594667 585048270 /nfs/dbraw/zinc/04/82/70/585048270.db2.gz JEKWYXLLADTJIP-BQBZGAKWSA-N -1 3 228.248 0.316 20 0 BCADHM COC[C@H](C)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000788116655 585069796 /nfs/dbraw/zinc/06/97/96/585069796.db2.gz QVOXSKVDOMQBKA-NXEZZACHSA-N -1 3 231.292 0.743 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1CCSC1 ZINC000788121311 585078233 /nfs/dbraw/zinc/07/82/33/585078233.db2.gz IMGNOYGOQIBRBG-RKDXNWHRSA-N -1 3 231.317 0.824 20 0 BCADHM Cc1cccc(NC(=O)c2nc[n-]n2)c1C(N)=O ZINC000746192116 585164559 /nfs/dbraw/zinc/16/45/59/585164559.db2.gz LWKRYORBTUHDES-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM CCC[C@H](C)OC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000748109404 585187198 /nfs/dbraw/zinc/18/71/98/585187198.db2.gz YXYPNVHVJVYKHJ-YUMQZZPRSA-N -1 3 242.275 0.706 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000748766944 585195426 /nfs/dbraw/zinc/19/54/26/585195426.db2.gz IFOOUVVBETVJCX-MRVPVSSYSA-N -1 3 239.275 0.209 20 0 BCADHM COCCO[N-]C(=O)CCCC(=O)NC(C)C ZINC000748775968 585195826 /nfs/dbraw/zinc/19/58/26/585195826.db2.gz ATVWQEWPFYMFOA-UHFFFAOYSA-N -1 3 246.307 0.376 20 0 BCADHM CCO[N-]C(=O)CNCc1c(C)nn(C)c1C ZINC000750533169 585216932 /nfs/dbraw/zinc/21/69/32/585216932.db2.gz YDGPOINPGDLXOC-UHFFFAOYSA-N -1 3 240.307 0.194 20 0 BCADHM COCCO[N-]C(=O)[C@H]1CCn2cncc2C1 ZINC000750893464 585221306 /nfs/dbraw/zinc/22/13/06/585221306.db2.gz OITFCJXYCSZTGH-VIFPVBQESA-N -1 3 239.275 0.140 20 0 BCADHM COCCO[N-]C(=O)CCCOC(C)C ZINC000752518902 585247563 /nfs/dbraw/zinc/24/75/63/585247563.db2.gz VRLYLIYLIVFGAU-UHFFFAOYSA-N -1 3 219.281 0.886 20 0 BCADHM CCCCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000752877947 585251105 /nfs/dbraw/zinc/25/11/05/585251105.db2.gz GBUVOIKSIAHXRT-SSDOTTSWSA-N -1 3 220.294 0.194 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1CC1(C)C ZINC000753086817 585253362 /nfs/dbraw/zinc/25/33/62/585253362.db2.gz YYIWWNXYQJHCMR-SSDOTTSWSA-N -1 3 201.266 0.851 20 0 BCADHM COCCCO[N-]C(=O)C1(N(C)C)CCC1 ZINC000805038520 585256913 /nfs/dbraw/zinc/25/69/13/585256913.db2.gz JYNFCQOQCJJPSH-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM COCCCO[N-]C(=O)C[C@H]1CCOC1 ZINC000805040886 585257452 /nfs/dbraw/zinc/25/74/52/585257452.db2.gz CWGLEFRJNSHLQY-SECBINFHSA-N -1 3 217.265 0.497 20 0 BCADHM COCCCO[N-]C(=O)CCC(C)(C)O ZINC000805041972 585258214 /nfs/dbraw/zinc/25/82/14/585258214.db2.gz PWOCDDODZZWYTJ-UHFFFAOYSA-N -1 3 219.281 0.622 20 0 BCADHM COCCCO[N-]C(=O)CC(C)(C)OC ZINC000805043217 585259312 /nfs/dbraw/zinc/25/93/12/585259312.db2.gz PGAIWFFUNKJDJI-UHFFFAOYSA-N -1 3 219.281 0.886 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1CCCN1C1CC1 ZINC000805042687 585259647 /nfs/dbraw/zinc/25/96/47/585259647.db2.gz CIGYNUCMZDSOBU-NSHDSACASA-N -1 3 242.319 0.698 20 0 BCADHM COCCCO[N-]C(=O)CCCC(=O)N(C)C ZINC000805043487 585260585 /nfs/dbraw/zinc/26/05/85/585260585.db2.gz VBGXBGCXSKGYSX-UHFFFAOYSA-N -1 3 246.307 0.329 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1CCOC[C@@H]1C ZINC000805044113 585261153 /nfs/dbraw/zinc/26/11/53/585261153.db2.gz GFDPVYMXPHXLHM-VHSXEESVSA-N -1 3 231.292 0.743 20 0 BCADHM COCCCO[N-]C(=O)C[C@@H](C)OC ZINC000805044659 585263351 /nfs/dbraw/zinc/26/33/51/585263351.db2.gz DGAWHGNKKFIRLB-MRVPVSSYSA-N -1 3 205.254 0.496 20 0 BCADHM COCCCO[N-]C(=O)CCc1cnn(C)c1 ZINC000805045253 585265843 /nfs/dbraw/zinc/26/58/43/585265843.db2.gz NUYRYIVPHFIZES-UHFFFAOYSA-N -1 3 241.291 0.437 20 0 BCADHM COCCNC(=O)c1cc2n[n-]nc2cc1F ZINC000753763396 585268448 /nfs/dbraw/zinc/26/84/48/585268448.db2.gz PWYRGRXGZUETQS-UHFFFAOYSA-N -1 3 238.222 0.473 20 0 BCADHM CON(C)C(=O)c1cc2n[n-]nc2cc1F ZINC000753791321 585269073 /nfs/dbraw/zinc/26/90/73/585269073.db2.gz ARVFMNVLBSSKRR-UHFFFAOYSA-N -1 3 224.195 0.730 20 0 BCADHM C[C@]1(C(=O)[N-]C2=NCCS2)CCOC1 ZINC000754057526 585276765 /nfs/dbraw/zinc/27/67/65/585276765.db2.gz JRFCTRXUEBPUJB-VIFPVBQESA-N -1 3 214.290 0.632 20 0 BCADHM CO[N-]C(=O)Cc1ccc2c(c1)COC2 ZINC000754360279 585283010 /nfs/dbraw/zinc/28/30/10/585283010.db2.gz CZZMUVWNMPDUEO-UHFFFAOYSA-N -1 3 207.229 0.937 20 0 BCADHM Cc1cc(=O)[n-]c(CN2CCOC[C@@H](C)C2)n1 ZINC000754381832 585283699 /nfs/dbraw/zinc/28/36/99/585283699.db2.gz VIRKBPRVUPDZOA-VIFPVBQESA-N -1 3 237.303 0.959 20 0 BCADHM CCO[N-]C(=O)CCC(=O)NC1CCCC1 ZINC000755443830 585299823 /nfs/dbraw/zinc/29/98/23/585299823.db2.gz NBSMQLUEGRTOLJ-UHFFFAOYSA-N -1 3 228.292 0.893 20 0 BCADHM COc1cc(C(=O)OCC(N)=O)ccc1[O-] ZINC000757097571 585328176 /nfs/dbraw/zinc/32/81/76/585328176.db2.gz OQSHVGJSYZXAOH-UHFFFAOYSA-N -1 3 225.200 0.043 20 0 BCADHM CCN1CCCC[C@H]1C(=O)[N-]OCC(C)(C)O ZINC000839739385 585339593 /nfs/dbraw/zinc/33/95/93/585339593.db2.gz RCTSRIQNDDQKGD-JTQLQIEISA-N -1 3 244.335 0.680 20 0 BCADHM COC(C)(C)CC(=O)[N-]OCC(C)(C)O ZINC000839746182 585339971 /nfs/dbraw/zinc/33/99/71/585339971.db2.gz XEPSRFFSFUUPER-UHFFFAOYSA-N -1 3 219.281 0.620 20 0 BCADHM COC(=O)C[C@@H](C)CC(=O)[N-]OCC(C)(C)O ZINC000839746084 585340080 /nfs/dbraw/zinc/34/00/80/585340080.db2.gz VZGKWIIASHWIQY-QMMMGPOBSA-N -1 3 247.291 0.394 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1CCCSC1 ZINC000839746240 585340179 /nfs/dbraw/zinc/34/01/79/585340179.db2.gz YSBFOKPDEGCBEC-QMMMGPOBSA-N -1 3 233.333 0.948 20 0 BCADHM COCC(C)(C)CC(=O)[N-]OCCN(C)C ZINC000839780476 585341624 /nfs/dbraw/zinc/34/16/24/585341624.db2.gz ALKQTRSYTJKDEL-UHFFFAOYSA-N -1 3 232.324 0.659 20 0 BCADHM O=S(=O)([N-][C@H](CO)C1CC1)c1ccccn1 ZINC000758323341 585353620 /nfs/dbraw/zinc/35/36/20/585353620.db2.gz JXZXYCOOEHTGRT-SECBINFHSA-N -1 3 242.300 0.131 20 0 BCADHM NC(=O)CON=C([O-])Nc1ccc(Cl)cn1 ZINC000758385715 585355656 /nfs/dbraw/zinc/35/56/56/585355656.db2.gz XDHVXZBGUNKKFU-UHFFFAOYSA-N -1 3 244.638 0.273 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1ccc(Cl)cn1 ZINC000758385715 585355657 /nfs/dbraw/zinc/35/56/57/585355657.db2.gz XDHVXZBGUNKKFU-UHFFFAOYSA-N -1 3 244.638 0.273 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000758467150 585356203 /nfs/dbraw/zinc/35/62/03/585356203.db2.gz QFMAFWCFYFLGGN-PSASIEDQSA-N -1 3 245.275 0.760 20 0 BCADHM Cc1cc([O-])ccc1C(=O)O[C@H](C)C(N)=O ZINC000758518588 585356689 /nfs/dbraw/zinc/35/66/89/585356689.db2.gz VAMATSLTDOGETF-SSDOTTSWSA-N -1 3 223.228 0.731 20 0 BCADHM Cc1cc([O-])ccc1C(=O)OCCOCCO ZINC000758530949 585357126 /nfs/dbraw/zinc/35/71/26/585357126.db2.gz OMRHDQRRUXOCLG-UHFFFAOYSA-N -1 3 240.255 0.866 20 0 BCADHM Cn1cc(/C=C\C(=O)[N-]OCC(F)F)cn1 ZINC000759330983 585367042 /nfs/dbraw/zinc/36/70/42/585367042.db2.gz LCAZBXOYSJVBSF-IHWYPQMZSA-N -1 3 231.202 0.746 20 0 BCADHM O=C([N-]OCC(F)F)C1=COCCC1 ZINC000759339140 585368620 /nfs/dbraw/zinc/36/86/20/585368620.db2.gz OQTWGMHWQHXJRD-UHFFFAOYSA-N -1 3 207.176 0.994 20 0 BCADHM Cc1cc(=O)[n-]c(CN(C)CC2(O)CCC2)n1 ZINC000759878328 585382057 /nfs/dbraw/zinc/38/20/57/585382057.db2.gz WIGVEVDNPNVAHI-UHFFFAOYSA-N -1 3 237.303 0.837 20 0 BCADHM CCON=C([O-])Nc1nnc2ccccn21 ZINC000759978701 585383688 /nfs/dbraw/zinc/38/36/88/585383688.db2.gz OGAHPOHEFUUBIB-UHFFFAOYSA-N -1 3 221.220 0.802 20 0 BCADHM CCO[N-]C(=O)Nc1nnc2ccccn21 ZINC000759978701 585383689 /nfs/dbraw/zinc/38/36/89/585383689.db2.gz OGAHPOHEFUUBIB-UHFFFAOYSA-N -1 3 221.220 0.802 20 0 BCADHM CO[N-]C(=O)c1cn(C)c(=O)c2ccccc12 ZINC000760105849 585385745 /nfs/dbraw/zinc/38/57/45/585385745.db2.gz CKKGLGLTVVMRTL-UHFFFAOYSA-N -1 3 232.239 0.830 20 0 BCADHM CCCCS(=O)(=O)[N-]CC(=O)OCCF ZINC000760692133 585395714 /nfs/dbraw/zinc/39/57/14/585395714.db2.gz FFJDSIXUYPHMTR-UHFFFAOYSA-N -1 3 241.284 0.219 20 0 BCADHM CCCCCCN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000762343924 585431147 /nfs/dbraw/zinc/43/11/47/585431147.db2.gz JEQSMZSQAVRIKR-SNVBAGLBSA-N -1 3 239.319 0.803 20 0 BCADHM CCCCCCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000762343921 585431197 /nfs/dbraw/zinc/43/11/97/585431197.db2.gz JEQSMZSQAVRIKR-JTQLQIEISA-N -1 3 239.319 0.803 20 0 BCADHM O=C([N-]c1nc2ccccn2n1)c1ncccn1 ZINC000762414741 585431757 /nfs/dbraw/zinc/43/17/57/585431757.db2.gz XQSHKEKMTYKHFA-UHFFFAOYSA-N -1 3 240.226 0.772 20 0 BCADHM O=C(NN1CCCC1=O)c1ccc(O)cc1[O-] ZINC000762640359 585434945 /nfs/dbraw/zinc/43/49/45/585434945.db2.gz LKRIOZBXVTZNHO-UHFFFAOYSA-N -1 3 236.227 0.365 20 0 BCADHM COc1ccc(NC(=O)c2nc[n-]n2)cc1CO ZINC000763043284 585442106 /nfs/dbraw/zinc/44/21/06/585442106.db2.gz ZYSWLZGYYLBFAN-UHFFFAOYSA-N -1 3 248.242 0.558 20 0 BCADHM O=C(Nc1c[nH]nn1)c1ccc([O-])cc1F ZINC000763195771 585444427 /nfs/dbraw/zinc/44/44/27/585444427.db2.gz KNDOBPYVQPNTOL-UHFFFAOYSA-N -1 3 222.179 0.902 20 0 BCADHM CC[C@H](O[N-]C(=O)C(C)(C)C)C(N)=O ZINC000763425852 585448409 /nfs/dbraw/zinc/44/84/09/585448409.db2.gz HVMZLIZLSBAGKK-LURJTMIESA-N -1 3 202.254 0.344 20 0 BCADHM C[C@H](CO)COC(=O)c1ccc([O-])cc1O ZINC000766677608 585505192 /nfs/dbraw/zinc/50/51/92/585505192.db2.gz YIAVPHAUBMTONX-SSDOTTSWSA-N -1 3 226.228 0.883 20 0 BCADHM O=C(O[C@H]1CCCNC1=O)c1ccc([O-])cc1 ZINC000767253504 585515715 /nfs/dbraw/zinc/51/57/15/585515715.db2.gz BQZVMGQZXXAILA-JTQLQIEISA-N -1 3 235.239 0.828 20 0 BCADHM COC(=O)c1cncc(NC(=O)c2nc[n-]n2)c1 ZINC000769005506 585547564 /nfs/dbraw/zinc/54/75/64/585547564.db2.gz CSYPFMNBCFKIJD-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM Cc1ccc([O-])c(CN2CCCNC(=O)C2)n1 ZINC000769109558 585548981 /nfs/dbraw/zinc/54/89/81/585548981.db2.gz RKCIDRHVBPWQJJ-UHFFFAOYSA-N -1 3 235.287 0.418 20 0 BCADHM CC(C)C[C@H](O)CNC(=O)c1csc(=O)[n-]1 ZINC000769709313 585562268 /nfs/dbraw/zinc/56/22/68/585562268.db2.gz GESLLHRDUICILC-ZETCQYMHSA-N -1 3 244.316 0.986 20 0 BCADHM C[C@](CO)(N=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000770462464 585574579 /nfs/dbraw/zinc/57/45/79/585574579.db2.gz OOCUJAFFIQUQEC-LLVKDONJSA-N -1 3 233.275 0.299 20 0 BCADHM CO[N-]C(=O)CC[C@]1(C)CCC(=O)N1 ZINC000770552015 585576498 /nfs/dbraw/zinc/57/64/98/585576498.db2.gz DZHUWTZGIPVFFF-VIFPVBQESA-N -1 3 200.238 0.113 20 0 BCADHM C[C@H](OC(=O)c1cncc([O-])c1)c1nncn1C ZINC000805450900 585600252 /nfs/dbraw/zinc/60/02/52/585600252.db2.gz TWWKTBKPNJPUOK-ZETCQYMHSA-N -1 3 248.242 0.834 20 0 BCADHM CC[C@@H](OC(=O)c1c([O-])cccc1F)C(N)=O ZINC000772577304 585618294 /nfs/dbraw/zinc/61/82/94/585618294.db2.gz JQAUSVUKMCMIGE-MRVPVSSYSA-N -1 3 241.218 0.952 20 0 BCADHM O=C(O[C@H]1CCNC1=O)c1c([O-])cccc1F ZINC000772594425 585618729 /nfs/dbraw/zinc/61/87/29/585618729.db2.gz UBHJRPZLGCDOKZ-QMMMGPOBSA-N -1 3 239.202 0.577 20 0 BCADHM O=C([N-]OC1CCOCC1)[C@H]1C[C@@]12CCOC2 ZINC000772711244 585621853 /nfs/dbraw/zinc/62/18/53/585621853.db2.gz OIONJCZCKIAKHI-ZYHUDNBSSA-N -1 3 241.287 0.640 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OC1CCOCC1 ZINC000772725255 585622240 /nfs/dbraw/zinc/62/22/40/585622240.db2.gz LGCGETGHKQGGAE-DTWKUNHWSA-N -1 3 243.259 0.022 20 0 BCADHM COc1ccc(N(C)C(=O)c2nnc[n-]2)cn1 ZINC000772783345 585623927 /nfs/dbraw/zinc/62/39/27/585623927.db2.gz ASOLJAVUUHZMOQ-UHFFFAOYSA-N -1 3 233.231 0.485 20 0 BCADHM COc1ccc(N(C)C(=O)c2nc[n-]n2)cn1 ZINC000772783345 585623928 /nfs/dbraw/zinc/62/39/28/585623928.db2.gz ASOLJAVUUHZMOQ-UHFFFAOYSA-N -1 3 233.231 0.485 20 0 BCADHM NC(=O)CO[N-]C(=O)c1ccnc(Cl)c1F ZINC000772926254 585627608 /nfs/dbraw/zinc/62/76/08/585627608.db2.gz QIRNNQQHYCSLHW-UHFFFAOYSA-N -1 3 247.613 0.021 20 0 BCADHM CCC/C(C)=C/C(=O)[N-]OCC(N)=O ZINC000772936303 585627839 /nfs/dbraw/zinc/62/78/39/585627839.db2.gz MSQROLALEYXYNH-FNORWQNLSA-N -1 3 200.238 0.266 20 0 BCADHM CC(C)=CC(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000773386114 585635668 /nfs/dbraw/zinc/63/56/68/585635668.db2.gz ZNEHDXDIPQOVMQ-VIFPVBQESA-N -1 3 249.318 0.857 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]OC1CCOCC1 ZINC000775239946 585673503 /nfs/dbraw/zinc/67/35/03/585673503.db2.gz CGSGIWVGWAKUNF-SECBINFHSA-N -1 3 231.292 0.764 20 0 BCADHM CCOCCO[N-]C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000775236862 585673820 /nfs/dbraw/zinc/67/38/20/585673820.db2.gz YXLBZBAGDPFMGI-PHIMTYICSA-N -1 3 244.335 0.944 20 0 BCADHM CN1CCCC[C@H]1C(=O)[N-]OC1CCOCC1 ZINC000775241847 585673937 /nfs/dbraw/zinc/67/39/37/585673937.db2.gz SGBBJMZKLYBIJI-NSHDSACASA-N -1 3 242.319 0.698 20 0 BCADHM CCOCCO[N-]C(=O)C1(N(C)C)CCC1 ZINC000775246224 585674017 /nfs/dbraw/zinc/67/40/17/585674017.db2.gz ZHNHWYSAYMRAAZ-UHFFFAOYSA-N -1 3 230.308 0.555 20 0 BCADHM CC(=O)CCCC(=O)[N-]OC1CCOCC1 ZINC000775248900 585674055 /nfs/dbraw/zinc/67/40/55/585674055.db2.gz VRDFHBFOUVAWIC-UHFFFAOYSA-N -1 3 229.276 0.973 20 0 BCADHM C[C@](O)(CC(=O)[N-]OC1CCOCC1)C1CC1 ZINC000775248641 585674143 /nfs/dbraw/zinc/67/41/43/585674143.db2.gz UGZJGJCUOJPUGP-LBPRGKRZSA-N -1 3 243.303 0.764 20 0 BCADHM COCCCCOC(=O)c1n[n-]nc1C ZINC000805545732 585678567 /nfs/dbraw/zinc/67/85/67/585678567.db2.gz BZKRRPKWDKLZJO-UHFFFAOYSA-N -1 3 213.237 0.697 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCC1OCCO1 ZINC000805546079 585678778 /nfs/dbraw/zinc/67/87/78/585678778.db2.gz DMSFYRNMZUDZQZ-UHFFFAOYSA-N -1 3 227.220 0.033 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCC1OCCCO1 ZINC000805547128 585680140 /nfs/dbraw/zinc/68/01/40/585680140.db2.gz PUCZAPOCBYENRX-UHFFFAOYSA-N -1 3 241.247 0.423 20 0 BCADHM COc1ccncc1COC(=O)c1n[n-]nc1C ZINC000805547208 585680946 /nfs/dbraw/zinc/68/09/46/585680946.db2.gz VZYSRBWPFKMJIL-UHFFFAOYSA-N -1 3 248.242 0.874 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCn1ccnc1C ZINC000805547841 585681117 /nfs/dbraw/zinc/68/11/17/585681117.db2.gz VQHVBLCQHBDQOA-UHFFFAOYSA-N -1 3 235.247 0.475 20 0 BCADHM COCC[C@@H](C)OC(=O)c1n[n-]nc1C ZINC000805547360 585681153 /nfs/dbraw/zinc/68/11/53/585681153.db2.gz YCNGJRARBALTDQ-ZCFIWIBFSA-N -1 3 213.237 0.695 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@@H]1CCCCO1 ZINC000805547975 585681522 /nfs/dbraw/zinc/68/15/22/585681522.db2.gz YOSSIFXYWKJKNB-QMMMGPOBSA-N -1 3 225.248 0.839 20 0 BCADHM CNC(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775932013 585688019 /nfs/dbraw/zinc/68/80/19/585688019.db2.gz ZGYXCKIVXVZKBU-UHFFFAOYSA-N -1 3 243.646 0.948 20 0 BCADHM C[C@@H]1CC[C@@H](CCC(=O)[N-]OCCO)O1 ZINC000776583313 585701223 /nfs/dbraw/zinc/70/12/23/585701223.db2.gz GAFMEFGUILWVSF-BDAKNGLRSA-N -1 3 217.265 0.374 20 0 BCADHM Cc1ccccc1CC(=O)[N-]OCCO ZINC000776585147 585701474 /nfs/dbraw/zinc/70/14/74/585701474.db2.gz SCXBWFFSJLPTDP-UHFFFAOYSA-N -1 3 209.245 0.578 20 0 BCADHM O=C(CCC(=O)c1cccs1)[N-]OCCO ZINC000776584596 585701686 /nfs/dbraw/zinc/70/16/86/585701686.db2.gz VYAKNSLTXNMPMW-UHFFFAOYSA-N -1 3 243.284 0.751 20 0 BCADHM CCOCC(=O)COC(=O)c1cncc([O-])c1 ZINC000777055482 585707715 /nfs/dbraw/zinc/70/77/15/585707715.db2.gz RRMNDTFBBYXWRV-UHFFFAOYSA-N -1 3 239.227 0.550 20 0 BCADHM O=C(Nc1cnc2c(c1)COCC2)c1nc[n-]n1 ZINC000777515270 585714093 /nfs/dbraw/zinc/71/40/93/585714093.db2.gz DYSXBMCGHVIMOB-UHFFFAOYSA-N -1 3 245.242 0.525 20 0 BCADHM C[C@@H](OC(=O)c1cnn[n-]1)c1nnnn1C1CC1 ZINC000805602994 585727598 /nfs/dbraw/zinc/72/75/98/585727598.db2.gz CFVUXZBLROPXKE-RXMQYKEDSA-N -1 3 249.234 0.044 20 0 BCADHM C[C@@H](OC(=O)c1c[n-]nn1)c1nnnn1C1CC1 ZINC000805602994 585727599 /nfs/dbraw/zinc/72/75/99/585727599.db2.gz CFVUXZBLROPXKE-RXMQYKEDSA-N -1 3 249.234 0.044 20 0 BCADHM O=C(OCc1ccccn1)c1cnn[n-]1 ZINC000805603203 585727765 /nfs/dbraw/zinc/72/77/65/585727765.db2.gz IQNAYBWWXHLJAH-UHFFFAOYSA-N -1 3 204.189 0.557 20 0 BCADHM O=C(OCc1ccccn1)c1c[n-]nn1 ZINC000805603203 585727766 /nfs/dbraw/zinc/72/77/66/585727766.db2.gz IQNAYBWWXHLJAH-UHFFFAOYSA-N -1 3 204.189 0.557 20 0 BCADHM O=C(COC(=O)c1cnn[n-]1)CC1CC1 ZINC000805603217 585727922 /nfs/dbraw/zinc/72/79/22/585727922.db2.gz GVEXQJSOKBSOQW-UHFFFAOYSA-N -1 3 209.205 0.331 20 0 BCADHM O=C(COC(=O)c1c[n-]nn1)CC1CC1 ZINC000805603217 585727923 /nfs/dbraw/zinc/72/79/23/585727923.db2.gz GVEXQJSOKBSOQW-UHFFFAOYSA-N -1 3 209.205 0.331 20 0 BCADHM O=C(OCC[C@H]1CCCO1)c1cnn[n-]1 ZINC000805603441 585728177 /nfs/dbraw/zinc/72/81/77/585728177.db2.gz MTTCHYDYUUSZHT-SSDOTTSWSA-N -1 3 211.221 0.531 20 0 BCADHM O=C(OCC[C@H]1CCCO1)c1c[n-]nn1 ZINC000805603441 585728178 /nfs/dbraw/zinc/72/81/78/585728178.db2.gz MTTCHYDYUUSZHT-SSDOTTSWSA-N -1 3 211.221 0.531 20 0 BCADHM Cn1c(Cl)cnc1COC(=O)c1cnn[n-]1 ZINC000805603939 585730135 /nfs/dbraw/zinc/73/01/35/585730135.db2.gz RONPFXNWDWPBOH-UHFFFAOYSA-N -1 3 241.638 0.549 20 0 BCADHM Cn1c(Cl)cnc1COC(=O)c1c[n-]nn1 ZINC000805603939 585730136 /nfs/dbraw/zinc/73/01/36/585730136.db2.gz RONPFXNWDWPBOH-UHFFFAOYSA-N -1 3 241.638 0.549 20 0 BCADHM CC(C)N(C)C(=O)[C@@H](C)OC(=O)c1cnn[n-]1 ZINC000805603763 585730257 /nfs/dbraw/zinc/73/02/57/585730257.db2.gz VCANVVFNGYICDL-SSDOTTSWSA-N -1 3 240.263 0.217 20 0 BCADHM CC(C)N(C)C(=O)[C@@H](C)OC(=O)c1c[n-]nn1 ZINC000805603763 585730258 /nfs/dbraw/zinc/73/02/58/585730258.db2.gz VCANVVFNGYICDL-SSDOTTSWSA-N -1 3 240.263 0.217 20 0 BCADHM CC(=O)CCCCOC(=O)c1cnn[n-]1 ZINC000805604995 585731652 /nfs/dbraw/zinc/73/16/52/585731652.db2.gz ULYXHFVPHHEZEC-UHFFFAOYSA-N -1 3 211.221 0.721 20 0 BCADHM CC(=O)CCCCOC(=O)c1c[n-]nn1 ZINC000805604995 585731653 /nfs/dbraw/zinc/73/16/53/585731653.db2.gz ULYXHFVPHHEZEC-UHFFFAOYSA-N -1 3 211.221 0.721 20 0 BCADHM O=C(OCc1ccncc1)c1cnn[n-]1 ZINC000805605448 585731803 /nfs/dbraw/zinc/73/18/03/585731803.db2.gz ZLUOBUUVZHGQGM-UHFFFAOYSA-N -1 3 204.189 0.557 20 0 BCADHM O=C(OCc1ccncc1)c1c[n-]nn1 ZINC000805605448 585731804 /nfs/dbraw/zinc/73/18/04/585731804.db2.gz ZLUOBUUVZHGQGM-UHFFFAOYSA-N -1 3 204.189 0.557 20 0 BCADHM CC(C)c1noc(COC(=O)c2cnn[n-]2)n1 ZINC000805605262 585732090 /nfs/dbraw/zinc/73/20/90/585732090.db2.gz HIWWBCRXHFEJBI-UHFFFAOYSA-N -1 3 237.219 0.668 20 0 BCADHM CC(C)c1noc(COC(=O)c2c[n-]nn2)n1 ZINC000805605262 585732091 /nfs/dbraw/zinc/73/20/91/585732091.db2.gz HIWWBCRXHFEJBI-UHFFFAOYSA-N -1 3 237.219 0.668 20 0 BCADHM CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cnn[n-]1 ZINC000805607065 585734493 /nfs/dbraw/zinc/73/44/93/585734493.db2.gz GEBMTTUVYZZJPW-BQBZGAKWSA-N -1 3 240.263 0.265 20 0 BCADHM CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1c[n-]nn1 ZINC000805607065 585734494 /nfs/dbraw/zinc/73/44/94/585734494.db2.gz GEBMTTUVYZZJPW-BQBZGAKWSA-N -1 3 240.263 0.265 20 0 BCADHM CC1(C(=O)COC(=O)c2cnn[n-]2)CC1 ZINC000805608073 585735383 /nfs/dbraw/zinc/73/53/83/585735383.db2.gz XKLGDNQNFIJITD-UHFFFAOYSA-N -1 3 209.205 0.331 20 0 BCADHM CC1(C(=O)COC(=O)c2c[n-]nn2)CC1 ZINC000805608073 585735384 /nfs/dbraw/zinc/73/53/84/585735384.db2.gz XKLGDNQNFIJITD-UHFFFAOYSA-N -1 3 209.205 0.331 20 0 BCADHM C[C@H]1CC[C@H](COC(=O)c2cnn[n-]2)O1 ZINC000805608873 585735555 /nfs/dbraw/zinc/73/55/55/585735555.db2.gz JYCAVEQTMNRVTA-NKWVEPMBSA-N -1 3 211.221 0.529 20 0 BCADHM C[C@H]1CC[C@H](COC(=O)c2c[n-]nn2)O1 ZINC000805608873 585735556 /nfs/dbraw/zinc/73/55/56/585735556.db2.gz JYCAVEQTMNRVTA-NKWVEPMBSA-N -1 3 211.221 0.529 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCC=CO2)[n-]1 ZINC000778956862 585742614 /nfs/dbraw/zinc/74/26/14/585742614.db2.gz TXSIJWCAPJKEBE-LURJTMIESA-N -1 3 224.220 0.445 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCC=CO2)n[n-]1 ZINC000778956862 585742615 /nfs/dbraw/zinc/74/26/15/585742615.db2.gz TXSIJWCAPJKEBE-LURJTMIESA-N -1 3 224.220 0.445 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCC=CO2)n1 ZINC000778956862 585742616 /nfs/dbraw/zinc/74/26/16/585742616.db2.gz TXSIJWCAPJKEBE-LURJTMIESA-N -1 3 224.220 0.445 20 0 BCADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)OCc1ccccc1 ZINC000779105584 585745178 /nfs/dbraw/zinc/74/51/78/585745178.db2.gz XJWXOUJYEUVVNV-VIFPVBQESA-N -1 3 248.238 0.328 20 0 BCADHM COc1ccc(CC(=O)[N-]c2nnnn2C)cc1 ZINC000779466863 585755450 /nfs/dbraw/zinc/75/54/50/585755450.db2.gz KWBDCFKHGPUMKQ-UHFFFAOYSA-N -1 3 247.258 0.400 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CC[C@H](CO)C1 ZINC000779677641 585758721 /nfs/dbraw/zinc/75/87/21/585758721.db2.gz SAVQQAZPTZNCAZ-BVBSBALXSA-N -1 3 248.282 0.641 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CC[C@@H](CO)C1 ZINC000779677642 585758767 /nfs/dbraw/zinc/75/87/67/585758767.db2.gz SAVQQAZPTZNCAZ-FMBMQGQPSA-N -1 3 248.282 0.641 20 0 BCADHM Cc1cccnc1C(=O)[N-]N1CCCC1=O ZINC000780701214 585783563 /nfs/dbraw/zinc/78/35/63/585783563.db2.gz COYLJVWYQXBZRY-UHFFFAOYSA-N -1 3 219.244 0.657 20 0 BCADHM CC(C)[C@@H](C(=O)NCC(C)(C)C(=O)[O-])N(C)C ZINC000781134498 585791319 /nfs/dbraw/zinc/79/13/19/585791319.db2.gz JKTBRQKYRIGZNA-VIFPVBQESA-N -1 3 244.335 0.800 20 0 BCADHM CCCNC(=O)[C@H](C)O[N-]C(=O)C(C)(C)C ZINC000781618921 585800763 /nfs/dbraw/zinc/80/07/63/585800763.db2.gz ZDYRUIVQWUGBDK-QMMMGPOBSA-N -1 3 230.308 0.995 20 0 BCADHM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1ccco1 ZINC000782469198 585818776 /nfs/dbraw/zinc/81/87/76/585818776.db2.gz YNUHSPIHFCJVEB-VIFPVBQESA-N -1 3 247.316 0.965 20 0 BCADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OC1CC1 ZINC000783197728 585830197 /nfs/dbraw/zinc/83/01/97/585830197.db2.gz FUCAXMGBECEJBA-QMMMGPOBSA-N -1 3 249.332 0.656 20 0 BCADHM COC(C)(C)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000785285498 585872356 /nfs/dbraw/zinc/87/23/56/585872356.db2.gz WSRMZTFBKWPCQL-SECBINFHSA-N -1 3 231.292 0.886 20 0 BCADHM CNC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786028623 585885717 /nfs/dbraw/zinc/88/57/17/585885717.db2.gz JPHUMZPTADRTAC-UHFFFAOYSA-N -1 3 222.200 0.664 20 0 BCADHM CCc1noc(C)c1[N-]C(=O)c1cnn(C)n1 ZINC000786457586 585891862 /nfs/dbraw/zinc/89/18/62/585891862.db2.gz IDVDOKNWLIVTJN-UHFFFAOYSA-N -1 3 235.247 0.926 20 0 BCADHM O=C([N-]OCCO)C12CC(C(F)(F)F)(C1)C2 ZINC000787286430 585904879 /nfs/dbraw/zinc/90/48/79/585904879.db2.gz GQLUECWKGVYURE-UHFFFAOYSA-N -1 3 239.193 0.759 20 0 BCADHM O=C([N-]OCCO)[C@H]1C[C@]12CCc1ccccc12 ZINC000787286356 585905096 /nfs/dbraw/zinc/90/50/96/585905096.db2.gz WTPHYSFHKJGNGN-OCCSQVGLSA-N -1 3 247.294 0.931 20 0 BCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)[N-]OCCO ZINC000787291752 585905240 /nfs/dbraw/zinc/90/52/40/585905240.db2.gz CQNNKHBWZPVECV-PSASIEDQSA-N -1 3 201.266 0.709 20 0 BCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]OCCO ZINC000787291755 585905286 /nfs/dbraw/zinc/90/52/86/585905286.db2.gz CQNNKHBWZPVECV-SCZZXKLOSA-N -1 3 201.266 0.709 20 0 BCADHM Cc1cccc(CCC(=O)[N-]OCCO)c1 ZINC000787292893 585905672 /nfs/dbraw/zinc/90/56/72/585905672.db2.gz TWUMMDRMEDSTLX-UHFFFAOYSA-N -1 3 223.272 0.968 20 0 BCADHM O=C(Cc1cc(F)c(F)cc1F)[N-]OCCO ZINC000787295523 585905898 /nfs/dbraw/zinc/90/58/98/585905898.db2.gz QGMPMQQGTISSMX-UHFFFAOYSA-N -1 3 249.188 0.687 20 0 BCADHM Cc1ccccc1CCC(=O)[N-]OCCO ZINC000787294761 585905997 /nfs/dbraw/zinc/90/59/97/585905997.db2.gz DAHWIYKWZZZKJW-UHFFFAOYSA-N -1 3 223.272 0.968 20 0 BCADHM O=C(Cc1cccc2cccnc21)[N-]OCCO ZINC000787297614 585906048 /nfs/dbraw/zinc/90/60/48/585906048.db2.gz YCGGPHGEWSBBAA-UHFFFAOYSA-N -1 3 246.266 0.817 20 0 BCADHM CCN(CC)C(=O)CCCC(=O)[N-]OCCO ZINC000787298749 585906213 /nfs/dbraw/zinc/90/62/13/585906213.db2.gz KUVQPLCFAIOYSA-UHFFFAOYSA-N -1 3 246.307 0.065 20 0 BCADHM COC(=O)[C@@H]([N-]C(=O)C(F)F)C(C)(C)C ZINC000787377620 585908326 /nfs/dbraw/zinc/90/83/26/585908326.db2.gz PPTMPERPKMMZBZ-RXMQYKEDSA-N -1 3 223.219 0.955 20 0 BCADHM NC(=O)c1ccc(C[N-]C(=O)C(F)F)cn1 ZINC000787416585 585908898 /nfs/dbraw/zinc/90/88/98/585908898.db2.gz HTRMYFVGMMPAPY-UHFFFAOYSA-N -1 3 229.186 0.062 20 0 BCADHM O=C([N-]OCC(F)F)[C@@H]1CCCN1C1CC1 ZINC000787521135 585910968 /nfs/dbraw/zinc/91/09/68/585910968.db2.gz PDERBCBCHUCHJJ-QMMMGPOBSA-N -1 3 234.246 0.926 20 0 BCADHM C[C@H]([N-]C(=O)C(F)F)c1nnnn1C1CC1 ZINC000787578425 585912079 /nfs/dbraw/zinc/91/20/79/585912079.db2.gz VMZLRBSVBOSPPI-BYPYZUCNSA-N -1 3 231.206 0.450 20 0 BCADHM COCCCC(=O)[N-]OCC(C)(C)O ZINC000788219940 585919645 /nfs/dbraw/zinc/91/96/45/585919645.db2.gz LMGBKOXXLNRCAT-UHFFFAOYSA-N -1 3 205.254 0.232 20 0 BCADHM CS/C=C/C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788269663 585920355 /nfs/dbraw/zinc/92/03/55/585920355.db2.gz CTVKZQRYDWEXRU-RYEJSQLPSA-N -1 3 217.290 0.947 20 0 BCADHM Cn1cc(NC([O-])=NOC[C@H]2CCOC2)cn1 ZINC000788278347 585920945 /nfs/dbraw/zinc/92/09/45/585920945.db2.gz JDMNBWJYMAVJTG-QMMMGPOBSA-N -1 3 240.263 0.510 20 0 BCADHM Cn1cc(NC(=O)[N-]OC[C@H]2CCOC2)cn1 ZINC000788278347 585920946 /nfs/dbraw/zinc/92/09/46/585920946.db2.gz JDMNBWJYMAVJTG-QMMMGPOBSA-N -1 3 240.263 0.510 20 0 BCADHM CC(C)[C@@H](C(=O)[N-]OC[C@H]1CCOC1)N(C)C ZINC000788569333 585926950 /nfs/dbraw/zinc/92/69/50/585926950.db2.gz GDIGOULYQHXOMW-QWRGUYRKSA-N -1 3 244.335 0.657 20 0 BCADHM CC(C)[C@H](C(=O)[N-]OC[C@H]1CCOC1)N(C)C ZINC000788573546 585927153 /nfs/dbraw/zinc/92/71/53/585927153.db2.gz GDIGOULYQHXOMW-WDEREUQCSA-N -1 3 244.335 0.657 20 0 BCADHM C[C@@](O)(CC(=O)[N-]OC[C@@H]1CCOC1)C1CC1 ZINC000788570930 585927221 /nfs/dbraw/zinc/92/72/21/585927221.db2.gz BGMGGKSKQXGXPZ-BXKDBHETSA-N -1 3 243.303 0.622 20 0 BCADHM CCc1cncc(C(=O)[N-]N2CCCC2=O)c1 ZINC000790015994 585956273 /nfs/dbraw/zinc/95/62/73/585956273.db2.gz SFOARKKOWCAXTI-UHFFFAOYSA-N -1 3 233.271 0.911 20 0 BCADHM O=C(OCCO)c1cccc2nn[n-]c21 ZINC000790078086 585957435 /nfs/dbraw/zinc/95/74/35/585957435.db2.gz WMEIVLUIMBMZHW-UHFFFAOYSA-N -1 3 207.189 0.107 20 0 BCADHM O=C(OCCO)c1cccc2[n-]nnc21 ZINC000790078086 585957436 /nfs/dbraw/zinc/95/74/36/585957436.db2.gz WMEIVLUIMBMZHW-UHFFFAOYSA-N -1 3 207.189 0.107 20 0 BCADHM O=C(OCCO)c1cccc2n[n-]nc21 ZINC000790078086 585957437 /nfs/dbraw/zinc/95/74/37/585957437.db2.gz WMEIVLUIMBMZHW-UHFFFAOYSA-N -1 3 207.189 0.107 20 0 BCADHM O=C(CCOCC(F)F)[N-]OCC(F)F ZINC000790889020 585970663 /nfs/dbraw/zinc/97/06/63/585970663.db2.gz NJQFNBVXEQGBNY-UHFFFAOYSA-N -1 3 233.161 0.971 20 0 BCADHM Cc1n[n-]nc1C(=O)OCC(=O)OC(C)(C)C ZINC000791047614 585972621 /nfs/dbraw/zinc/97/26/21/585972621.db2.gz YQZGWVWLOZHJTE-UHFFFAOYSA-N -1 3 241.247 0.612 20 0 BCADHM CC[C@@H](C(=O)[N-]OCC(C)(C)O)N(CC)CC ZINC000791263714 585975630 /nfs/dbraw/zinc/97/56/30/585975630.db2.gz ZEAKAGYQEQNNEN-JTQLQIEISA-N -1 3 246.351 0.926 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Cc1ccncc1 ZINC000791265151 585975777 /nfs/dbraw/zinc/97/57/77/585975777.db2.gz XNCXPLSXCFANRM-UHFFFAOYSA-N -1 3 224.260 0.443 20 0 BCADHM COC/C=C/C(=O)[N-]O[C@@H]1CCCCO1 ZINC000791343863 585978109 /nfs/dbraw/zinc/97/81/09/585978109.db2.gz PPGXXOSMVTZGEG-ORAHPGNNSA-N -1 3 215.249 0.763 20 0 BCADHM C[C@@H]1COCCN(C(=O)c2csc(=O)[n-]2)C1 ZINC000792275999 585998829 /nfs/dbraw/zinc/99/88/29/585998829.db2.gz BAUBSDDSJALEFG-ZETCQYMHSA-N -1 3 242.300 0.957 20 0 BCADHM COCCON=C([O-])Nc1ccn(C)n1 ZINC000792290244 585999241 /nfs/dbraw/zinc/99/92/41/585999241.db2.gz YBJHKSZUXVUWKE-UHFFFAOYSA-N -1 3 214.225 0.120 20 0 BCADHM COCCO[N-]C(=O)Nc1ccn(C)n1 ZINC000792290244 585999242 /nfs/dbraw/zinc/99/92/42/585999242.db2.gz YBJHKSZUXVUWKE-UHFFFAOYSA-N -1 3 214.225 0.120 20 0 BCADHM CC(C)n1cc(NC([O-])=NOCCO)cn1 ZINC000792319324 585999632 /nfs/dbraw/zinc/99/96/32/585999632.db2.gz ZPEXZZCWSDQDIX-UHFFFAOYSA-N -1 3 228.252 0.509 20 0 BCADHM CC(C)n1cc(NC(=O)[N-]OCCO)cn1 ZINC000792319324 585999633 /nfs/dbraw/zinc/99/96/33/585999633.db2.gz ZPEXZZCWSDQDIX-UHFFFAOYSA-N -1 3 228.252 0.509 20 0 BCADHM CC(C)(O)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000792476225 586000991 /nfs/dbraw/zinc/00/09/91/586000991.db2.gz QNKAXGPRLOBPCQ-QMMMGPOBSA-N -1 3 217.265 0.232 20 0 BCADHM O=C(NCc1ncccc1[O-])NOCC(F)F ZINC000793181794 586013163 /nfs/dbraw/zinc/01/31/63/586013163.db2.gz BZPLCWUIHSKNIS-UHFFFAOYSA-N -1 3 247.201 0.783 20 0 BCADHM CC[C@H](C)CC[C@H](O)CC(=O)[N-]OCCO ZINC000793857509 586028026 /nfs/dbraw/zinc/02/80/26/586028026.db2.gz VJRBZTJLZZIWCE-UWVGGRQHSA-N -1 3 233.308 0.604 20 0 BCADHM O=C([N-]Cc1nc2cccnc2[nH]1)C(F)F ZINC000793922047 586028619 /nfs/dbraw/zinc/02/86/19/586028619.db2.gz LGPUYSLLFUNGFQ-UHFFFAOYSA-N -1 3 226.186 0.839 20 0 BCADHM CN(C)C(=O)CO[N-]C(=O)C(C)(C)C ZINC000794181073 586034035 /nfs/dbraw/zinc/03/40/35/586034035.db2.gz MXDWXGAOBULHBT-UHFFFAOYSA-N -1 3 202.254 0.169 20 0 BCADHM CSCCO[N-]C(=O)CCCCC(N)=O ZINC000794191513 586034675 /nfs/dbraw/zinc/03/46/75/586034675.db2.gz VPZJPFCEPVZLBS-UHFFFAOYSA-N -1 3 234.321 0.443 20 0 BCADHM CCn1nccc1NC([O-])=NOCC(C)(C)O ZINC000794260370 586036237 /nfs/dbraw/zinc/03/62/37/586036237.db2.gz XOOQCIYVXKFRSB-UHFFFAOYSA-N -1 3 242.279 0.727 20 0 BCADHM CCn1nccc1NC(=O)[N-]OCC(C)(C)O ZINC000794260370 586036238 /nfs/dbraw/zinc/03/62/38/586036238.db2.gz XOOQCIYVXKFRSB-UHFFFAOYSA-N -1 3 242.279 0.727 20 0 BCADHM Cn1nccc1NC([O-])=NOCC(C)(C)O ZINC000794288090 586037010 /nfs/dbraw/zinc/03/70/10/586037010.db2.gz VTPPUJXLFCCHHE-UHFFFAOYSA-N -1 3 228.252 0.244 20 0 BCADHM Cn1nccc1NC(=O)[N-]OCC(C)(C)O ZINC000794288090 586037011 /nfs/dbraw/zinc/03/70/11/586037011.db2.gz VTPPUJXLFCCHHE-UHFFFAOYSA-N -1 3 228.252 0.244 20 0 BCADHM Cc1cc(COC(=O)c2cnn[n-]2)ncn1 ZINC000795601860 586088293 /nfs/dbraw/zinc/08/82/93/586088293.db2.gz ZIMYVCBDCIGRTF-UHFFFAOYSA-N -1 3 219.204 0.260 20 0 BCADHM Cc1cc(COC(=O)c2c[n-]nn2)ncn1 ZINC000795601860 586088295 /nfs/dbraw/zinc/08/82/95/586088295.db2.gz ZIMYVCBDCIGRTF-UHFFFAOYSA-N -1 3 219.204 0.260 20 0 BCADHM CSCCON=C([O-])Nc1ccnn1C ZINC000797644700 586129798 /nfs/dbraw/zinc/12/97/98/586129798.db2.gz UGSVEGJAALXRAO-UHFFFAOYSA-N -1 3 230.293 0.836 20 0 BCADHM CSCCO[N-]C(=O)Nc1ccnn1C ZINC000797644700 586129799 /nfs/dbraw/zinc/12/97/99/586129799.db2.gz UGSVEGJAALXRAO-UHFFFAOYSA-N -1 3 230.293 0.836 20 0 BCADHM CCc1cc(CNC(=O)c2cc(=O)[n-]cn2)[nH]n1 ZINC000859340882 589032670 /nfs/dbraw/zinc/03/26/70/589032670.db2.gz UZTWCYTWCFPOEL-UHFFFAOYSA-N -1 3 247.258 0.398 20 0 BCADHM CCc1cc(CNC(=O)c2cc(=O)[n-]cn2)n[nH]1 ZINC000859340882 589032672 /nfs/dbraw/zinc/03/26/72/589032672.db2.gz UZTWCYTWCFPOEL-UHFFFAOYSA-N -1 3 247.258 0.398 20 0 BCADHM C[C@H]([N-]S(=O)(=O)C1COC1)c1ccns1 ZINC000859400019 589035475 /nfs/dbraw/zinc/03/54/75/589035475.db2.gz GNXFFVIAKQYHPK-LURJTMIESA-N -1 3 248.329 0.522 20 0 BCADHM CN(C)C(=O)COC(=O)c1ccc([O-])cc1 ZINC000116755915 589036553 /nfs/dbraw/zinc/03/65/53/589036553.db2.gz NANMFTZOPYIWON-UHFFFAOYSA-N -1 3 223.228 0.637 20 0 BCADHM COCCON=C([O-])Nc1ccnc(OC)n1 ZINC000801727234 586269459 /nfs/dbraw/zinc/26/94/59/586269459.db2.gz QAUBKUJSSIDCBL-UHFFFAOYSA-N -1 3 242.235 0.185 20 0 BCADHM COCCO[N-]C(=O)Nc1ccnc(OC)n1 ZINC000801727234 586269461 /nfs/dbraw/zinc/26/94/61/586269461.db2.gz QAUBKUJSSIDCBL-UHFFFAOYSA-N -1 3 242.235 0.185 20 0 BCADHM O=C(CC[C@@H]1NC(=O)[N-]C1=O)OCCCCF ZINC000803259283 586340966 /nfs/dbraw/zinc/34/09/66/586340966.db2.gz ZKYWQJAIEOJXAX-ZETCQYMHSA-N -1 3 246.238 0.268 20 0 BCADHM CCn1nccc1NC([O-])=NOCCCOC ZINC000806391096 586410818 /nfs/dbraw/zinc/41/08/18/586410818.db2.gz SKMANSWSVPHTKB-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM CCn1nccc1NC(=O)[N-]OCCCOC ZINC000806391096 586410821 /nfs/dbraw/zinc/41/08/21/586410821.db2.gz SKMANSWSVPHTKB-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM COCCON=C([O-])Nc1ccnc(OC)c1 ZINC000806664637 586415652 /nfs/dbraw/zinc/41/56/52/586415652.db2.gz VRVACPLPZAJGGX-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM COCCO[N-]C(=O)Nc1ccnc(OC)c1 ZINC000806664637 586415654 /nfs/dbraw/zinc/41/56/54/586415654.db2.gz VRVACPLPZAJGGX-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM Cc1n[n-]nc1C(=O)Nc1nc(C2CC2)c[nH]1 ZINC000807663654 586448121 /nfs/dbraw/zinc/44/81/21/586448121.db2.gz ZKDZAPBRRWAGMN-UHFFFAOYSA-N -1 3 232.247 0.966 20 0 BCADHM CC(C)(O)CO[N-]C(=O)/C=C/c1cnccn1 ZINC000807944783 586452624 /nfs/dbraw/zinc/45/26/24/586452624.db2.gz PJXKQGXMQIMMOA-ONEGZZNKSA-N -1 3 237.259 0.309 20 0 BCADHM OCc1nc(SCOC2CCC2)n[n-]1 ZINC000808033890 586459897 /nfs/dbraw/zinc/45/98/97/586459897.db2.gz QDFLBJPSGIDHPL-UHFFFAOYSA-N -1 3 215.278 0.916 20 0 BCADHM OCc1nc(SCOCC(F)(F)F)n[n-]1 ZINC000808034506 586460210 /nfs/dbraw/zinc/46/02/10/586460210.db2.gz VQFGMVICYDGKNZ-UHFFFAOYSA-N -1 3 243.210 0.926 20 0 BCADHM Cn1ccc(C[N-]C(=O)C(C)(F)F)n1 ZINC000808465216 586474201 /nfs/dbraw/zinc/47/42/01/586474201.db2.gz KYMXXMWJIIANKP-UHFFFAOYSA-N -1 3 203.192 0.692 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1cc(C(N)=O)co1 ZINC000808467276 586475042 /nfs/dbraw/zinc/47/50/42/586475042.db2.gz YHBPTGPGWSKALD-UHFFFAOYSA-N -1 3 232.186 0.650 20 0 BCADHM CCN1CC[C@H]([N-]C(=O)C(C)(F)F)C1=O ZINC000808471120 586475451 /nfs/dbraw/zinc/47/54/51/586475451.db2.gz UWWNWNOJXLPVMG-LURJTMIESA-N -1 3 220.219 0.379 20 0 BCADHM CC(C)=CCOC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000808533679 586478245 /nfs/dbraw/zinc/47/82/45/586478245.db2.gz WFLAXOMRJNFJRL-ZETCQYMHSA-N -1 3 226.232 0.094 20 0 BCADHM CCOCCO[N-]C(=O)C[C@H](C)CC(=O)OC ZINC000809775011 586519204 /nfs/dbraw/zinc/51/92/04/586519204.db2.gz XMQQJTXRWKGJDH-VIFPVBQESA-N -1 3 247.291 0.660 20 0 BCADHM COC(=O)C[C@@H](C)CC(=O)[N-]OCCSC ZINC000809801188 586521086 /nfs/dbraw/zinc/52/10/86/586521086.db2.gz ONCWAVGARNEVQZ-QMMMGPOBSA-N -1 3 249.332 0.987 20 0 BCADHM Cn1nncc1CO[N-]C(=O)C(C)(C)C ZINC000809995175 586529438 /nfs/dbraw/zinc/52/94/38/586529438.db2.gz MNDVWGZVUQWTCL-UHFFFAOYSA-N -1 3 212.253 0.409 20 0 BCADHM CN(C)c1noc(CO[N-]C(=O)C(C)(C)C)n1 ZINC000809995579 586529479 /nfs/dbraw/zinc/52/94/79/586529479.db2.gz SIXCZSPIWWAEMB-UHFFFAOYSA-N -1 3 242.279 0.730 20 0 BCADHM CCCS(=O)(=O)[N-][C@]1(C)CCOC1=O ZINC000810102608 586534348 /nfs/dbraw/zinc/53/43/48/586534348.db2.gz IINRQRPXNOLUQM-MRVPVSSYSA-N -1 3 221.278 0.021 20 0 BCADHM CC[C@@H](C)CS(=O)(=O)[N-][C@@]1(C)CCOC1=O ZINC000810104686 586534403 /nfs/dbraw/zinc/53/44/03/586534403.db2.gz OHRCCQKDLBOGFR-SCZZXKLOSA-N -1 3 249.332 0.658 20 0 BCADHM Cn1ncc(COC(=O)c2cncc([O-])c2)n1 ZINC000811120135 586555288 /nfs/dbraw/zinc/55/52/88/586555288.db2.gz JDEKTSPJKSFTDL-UHFFFAOYSA-N -1 3 234.215 0.273 20 0 BCADHM Cc1ncsc1COC(=O)c1cnn[n-]1 ZINC000811223887 586557365 /nfs/dbraw/zinc/55/73/65/586557365.db2.gz PEUPQNCQZCKHLK-UHFFFAOYSA-N -1 3 224.245 0.927 20 0 BCADHM Cc1ncsc1COC(=O)c1c[n-]nn1 ZINC000811223887 586557366 /nfs/dbraw/zinc/55/73/66/586557366.db2.gz PEUPQNCQZCKHLK-UHFFFAOYSA-N -1 3 224.245 0.927 20 0 BCADHM CC[C@@H](C(=O)[N-]OCCCC(=O)OC)N(C)C ZINC000811559271 586561034 /nfs/dbraw/zinc/56/10/34/586561034.db2.gz YYLSJSIVIWHZRZ-VIFPVBQESA-N -1 3 246.307 0.328 20 0 BCADHM COCCCC(=O)[N-]OCCCC(=O)OC ZINC000811559183 586561081 /nfs/dbraw/zinc/56/10/81/586561081.db2.gz XYXFZBZTLGIGTM-UHFFFAOYSA-N -1 3 233.264 0.414 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C[C@H](C)OC ZINC000811561595 586561203 /nfs/dbraw/zinc/56/12/03/586561203.db2.gz WEDFDPWKRKPGAC-QMMMGPOBSA-N -1 3 233.264 0.412 20 0 BCADHM CCCC(=O)[N-]OCCCC(=O)OC ZINC000811559134 586561235 /nfs/dbraw/zinc/56/12/35/586561235.db2.gz WYUNKHBSONJDDL-UHFFFAOYSA-N -1 3 203.238 0.788 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C1(C)CC1 ZINC000811559926 586561328 /nfs/dbraw/zinc/56/13/28/586561328.db2.gz DNYQADDXEYOTSG-UHFFFAOYSA-N -1 3 215.249 0.788 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CC(C)(C)O ZINC000811562115 586561387 /nfs/dbraw/zinc/56/13/87/586561387.db2.gz JIEKKOLQRBDVIG-UHFFFAOYSA-N -1 3 233.264 0.148 20 0 BCADHM CC[C@@H](C(=O)[N-]OC1CCC1)N(C)C ZINC000812789096 586584637 /nfs/dbraw/zinc/58/46/37/586584637.db2.gz MBBNEBHDNCPYMZ-VIFPVBQESA-N -1 3 200.282 0.927 20 0 BCADHM CNC(=O)CCCCC(=O)[N-]OC1CCC1 ZINC000812789207 586584728 /nfs/dbraw/zinc/58/47/28/586584728.db2.gz PTCAQYRGOJHWLH-UHFFFAOYSA-N -1 3 228.292 0.893 20 0 BCADHM CN1CC[C@H](C(=O)[N-]OC2CCC2)CC1=O ZINC000812790225 586584820 /nfs/dbraw/zinc/58/48/20/586584820.db2.gz WPVLPDWAGSNZOR-QMMMGPOBSA-N -1 3 226.276 0.455 20 0 BCADHM CN1CC[C@@H](C(=O)[N-]OC2CCC2)CC1=O ZINC000812790224 586584901 /nfs/dbraw/zinc/58/49/01/586584901.db2.gz WPVLPDWAGSNZOR-MRVPVSSYSA-N -1 3 226.276 0.455 20 0 BCADHM O=C([N-]OC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000812791341 586585300 /nfs/dbraw/zinc/58/53/00/586585300.db2.gz SIZJZGQISVNLNR-ZETCQYMHSA-N -1 3 233.289 0.021 20 0 BCADHM CC(C)OCCO[N-]C(=O)C[C@H]1CCOC1 ZINC000812804084 586586665 /nfs/dbraw/zinc/58/66/65/586586665.db2.gz AHKHIPHYNQCIOH-SNVBAGLBSA-N -1 3 231.292 0.886 20 0 BCADHM CCOCCC(=O)[N-]OCCOC(C)C ZINC000812806226 586586739 /nfs/dbraw/zinc/58/67/39/586586739.db2.gz TZSYLBUBOSPFGV-UHFFFAOYSA-N -1 3 219.281 0.886 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000812810012 586587392 /nfs/dbraw/zinc/58/73/92/586587392.db2.gz PFRUGRVTJYJWJA-CMPLNLGQSA-N -1 3 243.303 0.886 20 0 BCADHM CC(C)OCCON=C([O-])Nc1cnnn1C ZINC000812977648 586589133 /nfs/dbraw/zinc/58/91/33/586589133.db2.gz MOYUKEULMUGKFX-UHFFFAOYSA-N -1 3 243.267 0.293 20 0 BCADHM CC(C)OCCO[N-]C(=O)Nc1cnnn1C ZINC000812977648 586589134 /nfs/dbraw/zinc/58/91/34/586589134.db2.gz MOYUKEULMUGKFX-UHFFFAOYSA-N -1 3 243.267 0.293 20 0 BCADHM CC(C)OCCON=C([O-])Nc1cn(C)nn1 ZINC000813008549 586589456 /nfs/dbraw/zinc/58/94/56/586589456.db2.gz NBAIFZJDSODFSJ-UHFFFAOYSA-N -1 3 243.267 0.293 20 0 BCADHM CC(C)OCCO[N-]C(=O)Nc1cn(C)nn1 ZINC000813008549 586589457 /nfs/dbraw/zinc/58/94/57/586589457.db2.gz NBAIFZJDSODFSJ-UHFFFAOYSA-N -1 3 243.267 0.293 20 0 BCADHM O=C(C[C@@H](O)Cc1ccccc1)[N-]OCCO ZINC000813524807 586602625 /nfs/dbraw/zinc/60/26/25/586602625.db2.gz HDYPKNCZEWPVGP-NSHDSACASA-N -1 3 239.271 0.020 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@@H]1CCCCCC(=O)C1 ZINC000813509501 586602707 /nfs/dbraw/zinc/60/27/07/586602707.db2.gz WMRWMFMPCMDHNP-MRVPVSSYSA-N -1 3 242.275 0.059 20 0 BCADHM CC1(CC(=O)[N-]OCCO)CCCC1 ZINC000813525362 586603027 /nfs/dbraw/zinc/60/30/27/586603027.db2.gz RDKMFQSTWNBZDP-UHFFFAOYSA-N -1 3 201.266 0.997 20 0 BCADHM Cc1c(N)cccc1NC([O-])=NOCCO ZINC000859725194 589057132 /nfs/dbraw/zinc/05/71/32/589057132.db2.gz AXILALUQSZNCGM-UHFFFAOYSA-N -1 3 225.248 0.623 20 0 BCADHM Cc1c(N)cccc1NC(=O)[N-]OCCO ZINC000859725194 589057133 /nfs/dbraw/zinc/05/71/33/589057133.db2.gz AXILALUQSZNCGM-UHFFFAOYSA-N -1 3 225.248 0.623 20 0 BCADHM COCCO[N-]C(=O)CCc1cncs1 ZINC000814416348 586621791 /nfs/dbraw/zinc/62/17/91/586621791.db2.gz LVDIUMHOOJBLHO-UHFFFAOYSA-N -1 3 230.289 0.770 20 0 BCADHM CCOCCOC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814528730 586623627 /nfs/dbraw/zinc/62/36/27/586623627.db2.gz GQYVDCSKNXPTGF-UHFFFAOYSA-N -1 3 241.243 0.995 20 0 BCADHM COC(=O)COC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814529913 586623631 /nfs/dbraw/zinc/62/36/31/586623631.db2.gz CRFKUXLZYFJNHW-UHFFFAOYSA-N -1 3 241.199 0.131 20 0 BCADHM C[C@H]([N-]C(=O)C(C)(F)F)c1nncn1C ZINC000815030127 586664682 /nfs/dbraw/zinc/66/46/82/586664682.db2.gz WMSIYEZKZMUJMK-YFKPBYRVSA-N -1 3 218.207 0.648 20 0 BCADHM CCn1ncc(C(=O)[N-]c2nocc2C)n1 ZINC000815846366 586694946 /nfs/dbraw/zinc/69/49/46/586694946.db2.gz JYZCRZCHEGCLOW-UHFFFAOYSA-N -1 3 221.220 0.847 20 0 BCADHM COC(=O)C1([N-]C(=O)C(C)(F)F)CCC1 ZINC000815849282 586694970 /nfs/dbraw/zinc/69/49/70/586694970.db2.gz MSJJGWNLFFGFOI-UHFFFAOYSA-N -1 3 221.203 0.854 20 0 BCADHM CC(C)CO[N-]C(=O)[C@H]1CCc2nncn2C1 ZINC000815860120 586695372 /nfs/dbraw/zinc/69/53/72/586695372.db2.gz XFZAYVNOYRJYSO-VIFPVBQESA-N -1 3 238.291 0.544 20 0 BCADHM O=C(NOCCO)c1cc([O-])ccc1Cl ZINC000816175431 586711765 /nfs/dbraw/zinc/71/17/65/586711765.db2.gz WRKADHUWWIBUST-UHFFFAOYSA-N -1 3 231.635 0.699 20 0 BCADHM C[C@H]1OCC[C@H]1C(=O)[N-]OC1CCN(C)CC1 ZINC000816533608 586739038 /nfs/dbraw/zinc/73/90/38/586739038.db2.gz DBGJCYNQNIFAJG-MWLCHTKSSA-N -1 3 242.319 0.553 20 0 BCADHM Cc1ncc(C[N-]C(=O)C(F)F)c(N)n1 ZINC000816576037 586742178 /nfs/dbraw/zinc/74/21/78/586742178.db2.gz HFBITNQKJGYSQC-UHFFFAOYSA-N -1 3 216.191 0.249 20 0 BCADHM CON(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816811309 586765634 /nfs/dbraw/zinc/76/56/34/586765634.db2.gz USKCZYAVANLESA-UHFFFAOYSA-N -1 3 223.232 0.693 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC1=NCCS1 ZINC000816844298 586767762 /nfs/dbraw/zinc/76/77/62/586767762.db2.gz WNGUBOIRYNEBKU-UHFFFAOYSA-N -1 3 237.284 0.549 20 0 BCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000816845668 586768319 /nfs/dbraw/zinc/76/83/19/586768319.db2.gz YNTUKFANRCVOIY-QWRGUYRKSA-N -1 3 248.282 0.746 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)[C@@H]1CCNC(=O)C1 ZINC000816979326 586777294 /nfs/dbraw/zinc/77/72/94/586777294.db2.gz MOTJUQCOSFEYLN-RKDXNWHRSA-N -1 3 228.292 0.607 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)CCCC(N)=O ZINC000816980080 586778209 /nfs/dbraw/zinc/77/82/09/586778209.db2.gz FDTBHYJZOCZQAA-QMMMGPOBSA-N -1 3 216.281 0.736 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]OCC1CC1 ZINC000817368052 586794289 /nfs/dbraw/zinc/79/42/89/586794289.db2.gz PCQFFKYZKPHADV-SECBINFHSA-N -1 3 201.266 0.995 20 0 BCADHM CCCNC(=O)CCC(=O)[N-]OCC1CC1 ZINC000817330295 586795533 /nfs/dbraw/zinc/79/55/33/586795533.db2.gz KUKHUYXSMGCIBA-UHFFFAOYSA-N -1 3 228.292 0.751 20 0 BCADHM Cn1cc(/C=C\C(=O)[N-]OCC2CC2)cn1 ZINC000817330897 586795928 /nfs/dbraw/zinc/79/59/28/586795928.db2.gz SEOQVYIIGHSGHP-PLNGDYQASA-N -1 3 221.260 0.891 20 0 BCADHM CCNC(=O)CCC(=O)[N-]OCC1CC1 ZINC000817362599 586798646 /nfs/dbraw/zinc/79/86/46/586798646.db2.gz NTPCZOQIMBZVNG-UHFFFAOYSA-N -1 3 214.265 0.361 20 0 BCADHM O=C([N-]OCCC1CC1)[C@H]1CCNC(=O)C1 ZINC000817420800 586803742 /nfs/dbraw/zinc/80/37/42/586803742.db2.gz AQCZOPMWONJCNK-VIFPVBQESA-N -1 3 226.276 0.361 20 0 BCADHM CNC(=O)CCCC(=O)[N-]OCCC1CC1 ZINC000817421295 586803794 /nfs/dbraw/zinc/80/37/94/586803794.db2.gz WOVLZTMIVYFAOS-UHFFFAOYSA-N -1 3 228.292 0.751 20 0 BCADHM C[C@H](C(=O)[O-])N(C)C(=O)C1(N(C)C)CCC1 ZINC000817743931 586824616 /nfs/dbraw/zinc/82/46/16/586824616.db2.gz NIEJKKRDUVCBBL-MRVPVSSYSA-N -1 3 228.292 0.402 20 0 BCADHM O=C(c1nnc[n-]1)N1C[C@H](CO)c2ccccc21 ZINC000817790166 586828254 /nfs/dbraw/zinc/82/82/54/586828254.db2.gz NEABFOYJAAZCLB-MRVPVSSYSA-N -1 3 244.254 0.541 20 0 BCADHM O=C(c1nc[n-]n1)N1C[C@H](CO)c2ccccc21 ZINC000817790166 586828255 /nfs/dbraw/zinc/82/82/55/586828255.db2.gz NEABFOYJAAZCLB-MRVPVSSYSA-N -1 3 244.254 0.541 20 0 BCADHM COC[C@@H](C)CNC(=O)c1ccc(N)cc1[O-] ZINC000817928243 586842639 /nfs/dbraw/zinc/84/26/39/586842639.db2.gz ZEBFSQKLACMUFK-QMMMGPOBSA-N -1 3 238.287 0.987 20 0 BCADHM CCc1n[n-]c(Cl)c1C(=O)NOCCOC ZINC000859887407 589068663 /nfs/dbraw/zinc/06/86/63/589068663.db2.gz CRFYJGXABOAJIN-UHFFFAOYSA-N -1 3 247.682 0.933 20 0 BCADHM CCc1[n-]nc(Cl)c1C(=O)NOCCOC ZINC000859887407 589068664 /nfs/dbraw/zinc/06/86/64/589068664.db2.gz CRFYJGXABOAJIN-UHFFFAOYSA-N -1 3 247.682 0.933 20 0 BCADHM CC(=O)[N-]O[C@@H]1CCN(C(C)(C)C)C1=O ZINC000818077578 586870480 /nfs/dbraw/zinc/87/04/80/586870480.db2.gz QIUUJNLDNCYQPV-MRVPVSSYSA-N -1 3 214.265 0.454 20 0 BCADHM CC[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])N(C)C ZINC000818132292 586872242 /nfs/dbraw/zinc/87/22/42/586872242.db2.gz NYWJRBLEHRNKHZ-JGVFFNPUSA-N -1 3 216.281 0.258 20 0 BCADHM COC(=O)/C(C)=C/CN(C)CC(=O)[O-] ZINC000818500475 586895003 /nfs/dbraw/zinc/89/50/03/586895003.db2.gz LQLBWGPFWKEGNS-QPJJXVBHSA-N -1 3 201.222 0.122 20 0 BCADHM COC(=O)/C(C)=C/CN(C)[C@@H](C)C(=O)[O-] ZINC000818500518 586895181 /nfs/dbraw/zinc/89/51/81/586895181.db2.gz NZHYESGPLFPSOQ-IVGLGHLBSA-N -1 3 215.249 0.511 20 0 BCADHM COCCn1cc(CN[C@@H](C)CC(=O)[O-])cn1 ZINC000818547825 586899854 /nfs/dbraw/zinc/89/98/54/586899854.db2.gz WHTUYRDCLUWHIW-VIFPVBQESA-N -1 3 241.291 0.482 20 0 BCADHM Cc1ncc(CN(C)[C@H](C)C(=O)[O-])cn1 ZINC000819012538 586923445 /nfs/dbraw/zinc/92/34/45/586923445.db2.gz VZXALJWIBVLFRT-SSDOTTSWSA-N -1 3 209.249 0.690 20 0 BCADHM O=C([O-])[C@@H]1CCN(CN2C(=O)CC23CCC3)C1 ZINC000819287309 586948391 /nfs/dbraw/zinc/94/83/91/586948391.db2.gz QTARUYZLXPHXIY-SECBINFHSA-N -1 3 238.287 0.505 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCCn1cnnn1 ZINC000860048249 589077106 /nfs/dbraw/zinc/07/71/06/589077106.db2.gz SVXFJGCGNJBRQO-UHFFFAOYSA-N -1 3 247.258 0.117 20 0 BCADHM CC[C@H](CO)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819781206 586991727 /nfs/dbraw/zinc/99/17/27/586991727.db2.gz JTVRFPAGFBLFJW-NKWVEPMBSA-N -1 3 216.306 0.612 20 0 BCADHM CNC(=O)CCCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819778303 586993498 /nfs/dbraw/zinc/99/34/98/586993498.db2.gz ZFLMNSVAKAGBBN-SSDOTTSWSA-N -1 3 243.332 0.510 20 0 BCADHM CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819810184 586997305 /nfs/dbraw/zinc/99/73/05/586997305.db2.gz ASLWIWHRZJZXEO-UHFFFAOYSA-N -1 3 235.222 0.642 20 0 BCADHM CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819810184 586997307 /nfs/dbraw/zinc/99/73/07/586997307.db2.gz ASLWIWHRZJZXEO-UHFFFAOYSA-N -1 3 235.222 0.642 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C1=CCOCC1 ZINC000819932065 587003491 /nfs/dbraw/zinc/00/34/91/587003491.db2.gz AIRFMAOQCRPQCD-UHFFFAOYSA-N -1 3 243.259 0.334 20 0 BCADHM CC(C)=CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000819979741 587009722 /nfs/dbraw/zinc/00/97/22/587009722.db2.gz ARBPPEWHNRBHBI-UHFFFAOYSA-N -1 3 206.209 0.357 20 0 BCADHM CC(C)(CO)NCc1ccc(-c2nnn[n-]2)o1 ZINC000819987781 587011256 /nfs/dbraw/zinc/01/12/56/587011256.db2.gz LPDAHGSSSDNYMS-UHFFFAOYSA-N -1 3 237.263 0.320 20 0 BCADHM CC(C)(CO)NCc1ccc(-c2nn[n-]n2)o1 ZINC000819987781 587011259 /nfs/dbraw/zinc/01/12/59/587011259.db2.gz LPDAHGSSSDNYMS-UHFFFAOYSA-N -1 3 237.263 0.320 20 0 BCADHM CC(C)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820015472 587012574 /nfs/dbraw/zinc/01/25/74/587012574.db2.gz CYXXQJTWQGBJHG-ZETCQYMHSA-N -1 3 248.290 0.969 20 0 BCADHM CC(C)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820015472 587012575 /nfs/dbraw/zinc/01/25/75/587012575.db2.gz CYXXQJTWQGBJHG-ZETCQYMHSA-N -1 3 248.290 0.969 20 0 BCADHM CC(C)OCCO[N-]C(=O)CC1(C)COC1 ZINC000820013803 587012955 /nfs/dbraw/zinc/01/29/55/587012955.db2.gz HUGZTOWLRYJPBJ-UHFFFAOYSA-N -1 3 231.292 0.886 20 0 BCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000820004807 587012999 /nfs/dbraw/zinc/01/29/99/587012999.db2.gz DBESTDFRULCGDN-UHFFFAOYSA-N -1 3 247.258 0.509 20 0 BCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000820004807 587013002 /nfs/dbraw/zinc/01/30/02/587013002.db2.gz DBESTDFRULCGDN-UHFFFAOYSA-N -1 3 247.258 0.509 20 0 BCADHM C[C@H](CC(=O)[O-])N[C@H]1CCCn2ncnc21 ZINC000820079072 587019303 /nfs/dbraw/zinc/01/93/03/587019303.db2.gz RMIUSISGOZUPQO-SFYZADRCSA-N -1 3 224.264 0.566 20 0 BCADHM C[C@@H]1CCN(CC(=O)NCC(=O)[O-])C[C@@H]1C ZINC000820238050 587037745 /nfs/dbraw/zinc/03/77/45/587037745.db2.gz IQVBYFSAZLTYHA-BDAKNGLRSA-N -1 3 228.292 0.165 20 0 BCADHM C[C@@H](CCO)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000820249551 587038012 /nfs/dbraw/zinc/03/80/12/587038012.db2.gz WPUNEKYWFCKMLA-QMMMGPOBSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@@H](CCO)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000820249551 587038014 /nfs/dbraw/zinc/03/80/14/587038014.db2.gz WPUNEKYWFCKMLA-QMMMGPOBSA-N -1 3 248.290 0.692 20 0 BCADHM CC[C@@H]1CC[C@@H](C)N1CC(=O)NCC(=O)[O-] ZINC000820290520 587040103 /nfs/dbraw/zinc/04/01/03/587040103.db2.gz KJMYFTFJCHNOTA-RKDXNWHRSA-N -1 3 228.292 0.450 20 0 BCADHM CC[C@@H](NCc1ccnc(N(C)C)n1)C(=O)[O-] ZINC000820419302 587047461 /nfs/dbraw/zinc/04/74/61/587047461.db2.gz VXDUGNOVPYVVFY-SECBINFHSA-N -1 3 238.291 0.495 20 0 BCADHM CCc1nn(C)c(OC)c1CN[C@@H](C)C(=O)[O-] ZINC000820498594 587051568 /nfs/dbraw/zinc/05/15/68/587051568.db2.gz RIBQZJSTTLBPRQ-ZETCQYMHSA-N -1 3 241.291 0.554 20 0 BCADHM CN1CCC[C@H](N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC000820620156 587059496 /nfs/dbraw/zinc/05/94/96/587059496.db2.gz HUSXITOSDFQTMC-BDAKNGLRSA-N -1 3 226.276 0.014 20 0 BCADHM CN(CCC(=O)[O-])[C@@H]1CCCN(C)C1=O ZINC000820620019 587059623 /nfs/dbraw/zinc/05/96/23/587059623.db2.gz DZJSHTIJMZESOF-MRVPVSSYSA-N -1 3 214.265 0.014 20 0 BCADHM COCCn1cc(CN(C)CCC(=O)[O-])cn1 ZINC000820738582 587069768 /nfs/dbraw/zinc/06/97/68/587069768.db2.gz KPHPDNALBJFGTL-UHFFFAOYSA-N -1 3 241.291 0.436 20 0 BCADHM C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C1CC1 ZINC000820783797 587072513 /nfs/dbraw/zinc/07/25/13/587072513.db2.gz NHYGMSQOCOCLGE-LURJTMIESA-N -1 3 240.350 0.347 20 0 BCADHM CN(C)CCO[N-]C(=O)C1(C)CC=CC1 ZINC000820996213 587087002 /nfs/dbraw/zinc/08/70/02/587087002.db2.gz DUCNCSAWMHTBIA-UHFFFAOYSA-N -1 3 212.293 0.952 20 0 BCADHM O=C(CN1CCCC1)[N-]OCC(F)(F)F ZINC000821032697 587089300 /nfs/dbraw/zinc/08/93/00/587089300.db2.gz VPIIYWZAFMWFTN-UHFFFAOYSA-N -1 3 226.198 0.692 20 0 BCADHM CCCNC(=O)Cn1cc(C)c(-c2nnn[n-]2)c1 ZINC000821113964 587097135 /nfs/dbraw/zinc/09/71/35/587097135.db2.gz ILDQNNDKUNLDEU-UHFFFAOYSA-N -1 3 248.290 0.503 20 0 BCADHM CCCNC(=O)Cn1cc(C)c(-c2nn[n-]n2)c1 ZINC000821113964 587097137 /nfs/dbraw/zinc/09/71/37/587097137.db2.gz ILDQNNDKUNLDEU-UHFFFAOYSA-N -1 3 248.290 0.503 20 0 BCADHM CCCOC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821128018 587097651 /nfs/dbraw/zinc/09/76/51/587097651.db2.gz OTJQMMKTSHGGRN-UHFFFAOYSA-N -1 3 221.220 0.762 20 0 BCADHM CCCOC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821128018 587097655 /nfs/dbraw/zinc/09/76/55/587097655.db2.gz OTJQMMKTSHGGRN-UHFFFAOYSA-N -1 3 221.220 0.762 20 0 BCADHM CCNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821284649 587105220 /nfs/dbraw/zinc/10/52/20/587105220.db2.gz GPWXBQXYNWMGTE-UHFFFAOYSA-N -1 3 231.259 0.545 20 0 BCADHM CCNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821284649 587105223 /nfs/dbraw/zinc/10/52/23/587105223.db2.gz GPWXBQXYNWMGTE-UHFFFAOYSA-N -1 3 231.259 0.545 20 0 BCADHM CC(=O)CCN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000821395269 587116264 /nfs/dbraw/zinc/11/62/64/587116264.db2.gz SXOGVEQMXLEGDM-UHFFFAOYSA-N -1 3 240.234 0.977 20 0 BCADHM O=C([O-])C[C@H]1CCCN(CC2OCCO2)C1 ZINC000821516374 587124725 /nfs/dbraw/zinc/12/47/25/587124725.db2.gz QZCVCJPIESGWHK-SECBINFHSA-N -1 3 229.276 0.546 20 0 BCADHM O=C([O-])CCCN1CCN2C(=O)OCC[C@@H]2C1 ZINC000821524240 587125085 /nfs/dbraw/zinc/12/50/85/587125085.db2.gz VHNZJVXCGXHLCH-SECBINFHSA-N -1 3 242.275 0.378 20 0 BCADHM O=C([O-])CN[C@@H](CO)c1ccc(F)cc1 ZINC000821533297 587126872 /nfs/dbraw/zinc/12/68/72/587126872.db2.gz DKIZJZMWMAOAOD-VIFPVBQESA-N -1 3 213.208 0.533 20 0 BCADHM CC(C)=C(C)CC(=O)[N-]OCC(N)=O ZINC000821558193 587128447 /nfs/dbraw/zinc/12/84/47/587128447.db2.gz XPEDORDMPVLXCT-UHFFFAOYSA-N -1 3 200.238 0.266 20 0 BCADHM CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821634204 587133887 /nfs/dbraw/zinc/13/38/87/587133887.db2.gz WWEZDGRWKDUSFA-UHFFFAOYSA-N -1 3 232.247 0.926 20 0 BCADHM CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821634204 587133889 /nfs/dbraw/zinc/13/38/89/587133889.db2.gz WWEZDGRWKDUSFA-UHFFFAOYSA-N -1 3 232.247 0.926 20 0 BCADHM CCOCCCC(=O)[N-]c1nnnn1C1CC1 ZINC000821668378 587134036 /nfs/dbraw/zinc/13/40/36/587134036.db2.gz IRCOBTSXAYVNLP-UHFFFAOYSA-N -1 3 239.279 0.763 20 0 BCADHM O=C([N-]c1nnnn1C1CC1)[C@@H]1CCCCO1 ZINC000821667672 587134216 /nfs/dbraw/zinc/13/42/16/587134216.db2.gz VPMSQFZHTMNCOJ-QMMMGPOBSA-N -1 3 237.263 0.516 20 0 BCADHM CO[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821697902 587134582 /nfs/dbraw/zinc/13/45/82/587134582.db2.gz WPMJQGHLTOJBCM-SECBINFHSA-N -1 3 246.274 0.487 20 0 BCADHM CO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821697902 587134584 /nfs/dbraw/zinc/13/45/84/587134584.db2.gz WPMJQGHLTOJBCM-SECBINFHSA-N -1 3 246.274 0.487 20 0 BCADHM CON(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821696599 587134658 /nfs/dbraw/zinc/13/46/58/587134658.db2.gz JAWMRIDNUQQVJF-UHFFFAOYSA-N -1 3 247.258 0.429 20 0 BCADHM CON(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821696599 587134660 /nfs/dbraw/zinc/13/46/60/587134660.db2.gz JAWMRIDNUQQVJF-UHFFFAOYSA-N -1 3 247.258 0.429 20 0 BCADHM COC[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000821682613 587134718 /nfs/dbraw/zinc/13/47/18/587134718.db2.gz JVCOANPBRZIVQX-ZETCQYMHSA-N -1 3 234.263 0.709 20 0 BCADHM COC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000821682613 587134719 /nfs/dbraw/zinc/13/47/19/587134719.db2.gz JVCOANPBRZIVQX-ZETCQYMHSA-N -1 3 234.263 0.709 20 0 BCADHM COCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC000821689130 587134977 /nfs/dbraw/zinc/13/49/77/587134977.db2.gz MGXTUZRZTJEGCH-UHFFFAOYSA-N -1 3 234.263 0.344 20 0 BCADHM COCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC000821689130 587134978 /nfs/dbraw/zinc/13/49/78/587134978.db2.gz MGXTUZRZTJEGCH-UHFFFAOYSA-N -1 3 234.263 0.344 20 0 BCADHM O=C(CN1CCCC1)[N-]OCC(F)F ZINC000821938152 587147035 /nfs/dbraw/zinc/14/70/35/587147035.db2.gz PITUNOGEJAUOFO-UHFFFAOYSA-N -1 3 208.208 0.395 20 0 BCADHM CSCCn1cc(-c2nnn[n-]2)cn1 ZINC000821970500 587148322 /nfs/dbraw/zinc/14/83/22/587148322.db2.gz OMEIQFCTDUZJHF-UHFFFAOYSA-N -1 3 210.266 0.426 20 0 BCADHM CSCCn1cc(-c2nn[n-]n2)cn1 ZINC000821970500 587148323 /nfs/dbraw/zinc/14/83/23/587148323.db2.gz OMEIQFCTDUZJHF-UHFFFAOYSA-N -1 3 210.266 0.426 20 0 BCADHM Cc1c(NC(N)=O)cccc1-c1nnn[n-]1 ZINC000822116024 587153989 /nfs/dbraw/zinc/15/39/89/587153989.db2.gz KUKKXEWIQNEJGG-UHFFFAOYSA-N -1 3 218.220 0.666 20 0 BCADHM Cc1c(NC(N)=O)cccc1-c1nn[n-]n1 ZINC000822116024 587153990 /nfs/dbraw/zinc/15/39/90/587153990.db2.gz KUKKXEWIQNEJGG-UHFFFAOYSA-N -1 3 218.220 0.666 20 0 BCADHM CCCC[C@@](C)(F)C(=O)NN1CC(=O)[N-]C1=O ZINC000822325660 587162858 /nfs/dbraw/zinc/16/28/58/587162858.db2.gz DDXJAVNXGCUKGG-SNVBAGLBSA-N -1 3 245.254 0.488 20 0 BCADHM Cc1cn(CC(=O)NC(C)C)cc1-c1nnn[n-]1 ZINC000822384050 587165108 /nfs/dbraw/zinc/16/51/08/587165108.db2.gz FYGSKBDWMXXRNO-UHFFFAOYSA-N -1 3 248.290 0.501 20 0 BCADHM Cc1cn(CC(=O)NC(C)C)cc1-c1nn[n-]n1 ZINC000822384050 587165110 /nfs/dbraw/zinc/16/51/10/587165110.db2.gz FYGSKBDWMXXRNO-UHFFFAOYSA-N -1 3 248.290 0.501 20 0 BCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC1CC1 ZINC000822659242 587179615 /nfs/dbraw/zinc/17/96/15/587179615.db2.gz ICBDWALDTLBWEJ-UHFFFAOYSA-N -1 3 247.258 0.772 20 0 BCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC1CC1 ZINC000822659242 587179617 /nfs/dbraw/zinc/17/96/17/587179617.db2.gz ICBDWALDTLBWEJ-UHFFFAOYSA-N -1 3 247.258 0.772 20 0 BCADHM CCc1n[n-]c(Cl)c1C(=O)OCC(=O)NC ZINC000860222300 589089164 /nfs/dbraw/zinc/08/91/64/589089164.db2.gz RKHMDYKKQVHBEH-UHFFFAOYSA-N -1 3 245.666 0.528 20 0 BCADHM CCc1[n-]nc(Cl)c1C(=O)OCC(=O)NC ZINC000860222300 589089166 /nfs/dbraw/zinc/08/91/66/589089166.db2.gz RKHMDYKKQVHBEH-UHFFFAOYSA-N -1 3 245.666 0.528 20 0 BCADHM NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822868818 587190384 /nfs/dbraw/zinc/19/03/84/587190384.db2.gz IRXKVXVERCRRSN-UHFFFAOYSA-N -1 3 235.272 0.444 20 0 BCADHM NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822868818 587190385 /nfs/dbraw/zinc/19/03/85/587190385.db2.gz IRXKVXVERCRRSN-UHFFFAOYSA-N -1 3 235.272 0.444 20 0 BCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC1 ZINC000823087225 587202053 /nfs/dbraw/zinc/20/20/53/587202053.db2.gz KXWYFMLEHFWEOF-UHFFFAOYSA-N -1 3 243.270 0.642 20 0 BCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC1 ZINC000823087225 587202054 /nfs/dbraw/zinc/20/20/54/587202054.db2.gz KXWYFMLEHFWEOF-UHFFFAOYSA-N -1 3 243.270 0.642 20 0 BCADHM O=C(NCCCF)c1ccc(-c2nnn[n-]2)cc1 ZINC000823188111 587207386 /nfs/dbraw/zinc/20/73/86/587207386.db2.gz VCUNJLQWZPMPMO-UHFFFAOYSA-N -1 3 249.249 0.956 20 0 BCADHM O=C(NCCCF)c1ccc(-c2nn[n-]n2)cc1 ZINC000823188111 587207387 /nfs/dbraw/zinc/20/73/87/587207387.db2.gz VCUNJLQWZPMPMO-UHFFFAOYSA-N -1 3 249.249 0.956 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000823303228 587214995 /nfs/dbraw/zinc/21/49/95/587214995.db2.gz XYBUHSJVVBGFQI-HTQZYQBOSA-N -1 3 239.275 0.332 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@@H]1CCCCN1C ZINC000823381505 587218912 /nfs/dbraw/zinc/21/89/12/587218912.db2.gz UOWONGUSGWOBBZ-QWRGUYRKSA-N -1 3 244.335 0.535 20 0 BCADHM O=C(OCCCF)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823401340 587220375 /nfs/dbraw/zinc/22/03/75/587220375.db2.gz UBPMGGRMTTYGFH-UHFFFAOYSA-N -1 3 239.210 0.711 20 0 BCADHM O=C(OCCCF)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823401340 587220376 /nfs/dbraw/zinc/22/03/76/587220376.db2.gz UBPMGGRMTTYGFH-UHFFFAOYSA-N -1 3 239.210 0.711 20 0 BCADHM CC(=O)NCC1CCN(CCNC(=O)[O-])CC1 ZINC000823579193 587232276 /nfs/dbraw/zinc/23/22/76/587232276.db2.gz GNHFPSWFKZVPPD-UHFFFAOYSA-N -1 3 243.307 0.102 20 0 BCADHM OCC1(NCc2ccc(-c3nnn[n-]3)o2)CCC1 ZINC000823713155 587237604 /nfs/dbraw/zinc/23/76/04/587237604.db2.gz DMJYRCLAOKDLSW-UHFFFAOYSA-N -1 3 249.274 0.464 20 0 BCADHM OCC1(NCc2ccc(-c3nn[n-]n3)o2)CCC1 ZINC000823713155 587237605 /nfs/dbraw/zinc/23/76/05/587237605.db2.gz DMJYRCLAOKDLSW-UHFFFAOYSA-N -1 3 249.274 0.464 20 0 BCADHM OC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC000823715789 587237643 /nfs/dbraw/zinc/23/76/43/587237643.db2.gz WJDGNMOBLMEJSD-SECBINFHSA-N -1 3 246.274 0.223 20 0 BCADHM OC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC000823715789 587237644 /nfs/dbraw/zinc/23/76/44/587237644.db2.gz WJDGNMOBLMEJSD-SECBINFHSA-N -1 3 246.274 0.223 20 0 BCADHM OCC1(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC000823713133 587237757 /nfs/dbraw/zinc/23/77/57/587237757.db2.gz DDTDDCWAURUSCZ-UHFFFAOYSA-N -1 3 246.274 0.446 20 0 BCADHM OCC1(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC000823713133 587237759 /nfs/dbraw/zinc/23/77/59/587237759.db2.gz DDTDDCWAURUSCZ-UHFFFAOYSA-N -1 3 246.274 0.446 20 0 BCADHM OCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000823721679 587238265 /nfs/dbraw/zinc/23/82/65/587238265.db2.gz HFLSPDCJZRIPDV-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM OCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000823721679 587238266 /nfs/dbraw/zinc/23/82/66/587238266.db2.gz HFLSPDCJZRIPDV-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM CCn1cc(C(=O)[N-]c2ncn(C(C)C)n2)nn1 ZINC000823857221 587243672 /nfs/dbraw/zinc/24/36/72/587243672.db2.gz ONVAXQUEWOFCAI-UHFFFAOYSA-N -1 3 249.278 0.723 20 0 BCADHM CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824010008 587248270 /nfs/dbraw/zinc/24/82/70/587248270.db2.gz HDPPGOJKHVPLKF-UHFFFAOYSA-N -1 3 246.226 0.613 20 0 BCADHM CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824010008 587248271 /nfs/dbraw/zinc/24/82/71/587248271.db2.gz HDPPGOJKHVPLKF-UHFFFAOYSA-N -1 3 246.226 0.613 20 0 BCADHM CC(C)(O)CCN1CC[C@@H](NC(=O)[O-])C1 ZINC000824034889 587250011 /nfs/dbraw/zinc/25/00/11/587250011.db2.gz JNIKZKZRNOPRCM-MRVPVSSYSA-N -1 3 216.281 0.489 20 0 BCADHM CC(C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824266887 587264098 /nfs/dbraw/zinc/26/40/98/587264098.db2.gz SEHQCADLRSAVOV-UHFFFAOYSA-N -1 3 234.263 0.581 20 0 BCADHM CC(C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824266887 587264099 /nfs/dbraw/zinc/26/40/99/587264099.db2.gz SEHQCADLRSAVOV-UHFFFAOYSA-N -1 3 234.263 0.581 20 0 BCADHM CC(C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824304806 587265694 /nfs/dbraw/zinc/26/56/94/587265694.db2.gz FGKKWNHCIUWPEX-UHFFFAOYSA-N -1 3 220.236 0.333 20 0 BCADHM CC(C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824304806 587265695 /nfs/dbraw/zinc/26/56/95/587265695.db2.gz FGKKWNHCIUWPEX-UHFFFAOYSA-N -1 3 220.236 0.333 20 0 BCADHM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H]1C[C@@H](O)C1 ZINC000824355360 587267405 /nfs/dbraw/zinc/26/74/05/587267405.db2.gz PIZJVFZSNLTRPQ-OCAPTIKFSA-N -1 3 245.275 0.147 20 0 BCADHM CCO[N-]C(=O)Nc1cc(C)nnc1N(C)C ZINC000824529972 587273905 /nfs/dbraw/zinc/27/39/05/587273905.db2.gz RRWXBNBYIZVTOW-UHFFFAOYSA-N -1 3 239.279 0.924 20 0 BCADHM C[C@@H](O)C[C@H](C)Nc1cnccc1-c1nnn[n-]1 ZINC000824697302 587283661 /nfs/dbraw/zinc/28/36/61/587283661.db2.gz BNEQMIWVHBJGQH-JGVFFNPUSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)C[C@H](C)Nc1cnccc1-c1nn[n-]n1 ZINC000824697302 587283662 /nfs/dbraw/zinc/28/36/62/587283662.db2.gz BNEQMIWVHBJGQH-JGVFFNPUSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](O)CNc1cnccc1-c1nnn[n-]1 ZINC000824706932 587283897 /nfs/dbraw/zinc/28/38/97/587283897.db2.gz MDPHJASMZKXTQC-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM C[C@H](O)CNc1cnccc1-c1nn[n-]n1 ZINC000824706932 587283899 /nfs/dbraw/zinc/28/38/99/587283899.db2.gz MDPHJASMZKXTQC-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM CC1(C)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824808745 587288153 /nfs/dbraw/zinc/28/81/53/587288153.db2.gz YJLVTGBXVGCQGB-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CC1(C)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824808745 587288155 /nfs/dbraw/zinc/28/81/55/587288155.db2.gz YJLVTGBXVGCQGB-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM C[C@@]1(Nc2ccc(-c3nnn[n-]3)cn2)CCOC1 ZINC000824837251 587289990 /nfs/dbraw/zinc/28/99/90/587289990.db2.gz GHBRUAPJGRLNHQ-LLVKDONJSA-N -1 3 246.274 0.853 20 0 BCADHM C[C@@]1(Nc2ccc(-c3nn[n-]n3)cn2)CCOC1 ZINC000824837251 587289991 /nfs/dbraw/zinc/28/99/91/587289991.db2.gz GHBRUAPJGRLNHQ-LLVKDONJSA-N -1 3 246.274 0.853 20 0 BCADHM C[C@@H]1C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824899758 587292476 /nfs/dbraw/zinc/29/24/76/587292476.db2.gz NYGAZKIISCMRRP-XRGYYRRGSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@@H]1C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824899758 587292477 /nfs/dbraw/zinc/29/24/77/587292477.db2.gz NYGAZKIISCMRRP-XRGYYRRGSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@H]1C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824899757 587292769 /nfs/dbraw/zinc/29/27/69/587292769.db2.gz NYGAZKIISCMRRP-XNCJUZBTSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@H]1C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824899757 587292770 /nfs/dbraw/zinc/29/27/70/587292770.db2.gz NYGAZKIISCMRRP-XNCJUZBTSA-N -1 3 232.247 0.333 20 0 BCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000824946998 587293818 /nfs/dbraw/zinc/29/38/18/587293818.db2.gz LWGJNRCFIAHWRK-ZETCQYMHSA-N -1 3 246.274 0.677 20 0 BCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000824946998 587293819 /nfs/dbraw/zinc/29/38/19/587293819.db2.gz LWGJNRCFIAHWRK-ZETCQYMHSA-N -1 3 246.274 0.677 20 0 BCADHM C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824946770 587293969 /nfs/dbraw/zinc/29/39/69/587293969.db2.gz KPLQSTNYKGVZOQ-SSDOTTSWSA-N -1 3 246.274 0.819 20 0 BCADHM C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824946770 587293970 /nfs/dbraw/zinc/29/39/70/587293970.db2.gz KPLQSTNYKGVZOQ-SSDOTTSWSA-N -1 3 246.274 0.819 20 0 BCADHM C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824946771 587294088 /nfs/dbraw/zinc/29/40/88/587294088.db2.gz KPLQSTNYKGVZOQ-ZETCQYMHSA-N -1 3 246.274 0.819 20 0 BCADHM C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824946771 587294091 /nfs/dbraw/zinc/29/40/91/587294091.db2.gz KPLQSTNYKGVZOQ-ZETCQYMHSA-N -1 3 246.274 0.819 20 0 BCADHM CCn1ccc(NC([O-])=NOCCCOC)n1 ZINC000824956194 587294569 /nfs/dbraw/zinc/29/45/69/587294569.db2.gz GBXJULAQZJYELG-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM CCn1ccc(NC(=O)[N-]OCCCOC)n1 ZINC000824956194 587294570 /nfs/dbraw/zinc/29/45/70/587294570.db2.gz GBXJULAQZJYELG-UHFFFAOYSA-N -1 3 242.279 0.993 20 0 BCADHM C[C@@H](CNC(=O)[O-])N(C)CCC(C)(C)O ZINC000824967398 587295935 /nfs/dbraw/zinc/29/59/35/587295935.db2.gz RPHNOSLLOBEGIR-QMMMGPOBSA-N -1 3 218.297 0.735 20 0 BCADHM C[C@@H](CO)NCc1ccc(NC(=O)[O-])nc1 ZINC000824980259 587296222 /nfs/dbraw/zinc/29/62/22/587296222.db2.gz NAPUJNOZDSDOOE-ZETCQYMHSA-N -1 3 225.248 0.642 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C(F)F)C2 ZINC000825028203 587299464 /nfs/dbraw/zinc/29/94/64/587299464.db2.gz JHKSBGRAIYLTRI-UHFFFAOYSA-N -1 3 229.186 0.598 20 0 BCADHM COC/C=C/C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825029321 587299618 /nfs/dbraw/zinc/29/96/18/587299618.db2.gz ZLPVQSZGJHVJOF-ONEGZZNKSA-N -1 3 249.270 0.535 20 0 BCADHM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CCO ZINC000825195260 587309041 /nfs/dbraw/zinc/30/90/41/587309041.db2.gz SVRKWYHHNVFRSK-IUCAKERBSA-N -1 3 216.281 0.489 20 0 BCADHM C[C@@H](O)[C@@H]1CCCCN1CCNC(=O)[O-] ZINC000825516094 587322631 /nfs/dbraw/zinc/32/26/31/587322631.db2.gz SHQJNMKBIVSYBC-BDAKNGLRSA-N -1 3 216.281 0.489 20 0 BCADHM C/C(=C\CN1CCC[C@@H](OCCO)C1)C(=O)[O-] ZINC000825742022 587335553 /nfs/dbraw/zinc/33/55/53/587335553.db2.gz VERCNHXXQQUVEM-LLMHMKPQSA-N -1 3 243.303 0.491 20 0 BCADHM CC1(CN2CC[C@@H](NC(=O)[O-])C2)COC1 ZINC000825744141 587336265 /nfs/dbraw/zinc/33/62/65/587336265.db2.gz LGVJVAZCXIWGFX-MRVPVSSYSA-N -1 3 214.265 0.365 20 0 BCADHM CC(=O)N[C@@H]1CCCN(C/C=C(/C)C(=O)[O-])C1 ZINC000825871658 587343041 /nfs/dbraw/zinc/34/30/41/587343041.db2.gz USMAYEXOJMZRLX-YOOZJCNJSA-N -1 3 240.303 0.618 20 0 BCADHM CN(C)c1noc(-c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC000825887432 587344551 /nfs/dbraw/zinc/34/45/51/587344551.db2.gz GQDXNYCCZMFXJR-UHFFFAOYSA-N -1 3 246.234 0.311 20 0 BCADHM CN(C)c1noc(-c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC000825887432 587344552 /nfs/dbraw/zinc/34/45/52/587344552.db2.gz GQDXNYCCZMFXJR-UHFFFAOYSA-N -1 3 246.234 0.311 20 0 BCADHM CN(CC1CC1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825902349 587344834 /nfs/dbraw/zinc/34/48/34/587344834.db2.gz RPANAAZVNGGUMI-UHFFFAOYSA-N -1 3 246.274 0.677 20 0 BCADHM CN(CC1CC1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825902349 587344835 /nfs/dbraw/zinc/34/48/35/587344835.db2.gz RPANAAZVNGGUMI-UHFFFAOYSA-N -1 3 246.274 0.677 20 0 BCADHM CN(CC(C)(C)O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825897648 587344962 /nfs/dbraw/zinc/34/49/62/587344962.db2.gz JLJFWNYQAPOEON-UHFFFAOYSA-N -1 3 248.290 0.469 20 0 BCADHM CN(CC(C)(C)O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825897648 587344964 /nfs/dbraw/zinc/34/49/64/587344964.db2.gz JLJFWNYQAPOEON-UHFFFAOYSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@@H]1CCCN(CCO)[C@@H]1CNC(=O)[O-] ZINC000825925467 587345586 /nfs/dbraw/zinc/34/55/86/587345586.db2.gz PWXGXHIBWIIPNF-RKDXNWHRSA-N -1 3 216.281 0.347 20 0 BCADHM C[C@@H](NC(=O)[O-])C(=O)NCCN1CCC[C@H]1C ZINC000825932325 587346036 /nfs/dbraw/zinc/34/60/36/587346036.db2.gz RFWZUHMCDZSZPM-RKDXNWHRSA-N -1 3 243.307 0.243 20 0 BCADHM CN(Cc1ccc(-c2nnn[n-]2)o1)[C@H]1CCOC1 ZINC000825962159 587347183 /nfs/dbraw/zinc/34/71/83/587347183.db2.gz SWRIUGAMLNZHPX-QMMMGPOBSA-N -1 3 249.274 0.680 20 0 BCADHM CN(Cc1ccc(-c2nn[n-]n2)o1)[C@H]1CCOC1 ZINC000825962159 587347184 /nfs/dbraw/zinc/34/71/84/587347184.db2.gz SWRIUGAMLNZHPX-QMMMGPOBSA-N -1 3 249.274 0.680 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1CCC2(CCC2)C1 ZINC000826001270 587348150 /nfs/dbraw/zinc/34/81/50/587348150.db2.gz VDSQQZQKTBMLEN-SECBINFHSA-N -1 3 240.303 0.452 20 0 BCADHM C[C@@H]1CN(CC2(O)CCC2)C[C@@H](C)N1C(=O)[O-] ZINC000826048762 587349607 /nfs/dbraw/zinc/34/96/07/587349607.db2.gz JENRNFRUDVIJOP-NXEZZACHSA-N -1 3 242.319 0.974 20 0 BCADHM C[C@@H]1CN(CCNC(=O)[O-])CCCO1 ZINC000826059474 587349884 /nfs/dbraw/zinc/34/98/84/587349884.db2.gz VIUWRJKWCRKMSD-MRVPVSSYSA-N -1 3 202.254 0.365 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(NCC[C@@H](C)O)n1 ZINC000826275534 587351453 /nfs/dbraw/zinc/35/14/53/587351453.db2.gz CGQRDWMRVHAPRQ-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(NCC[C@@H](C)O)n1 ZINC000826275534 587351454 /nfs/dbraw/zinc/35/14/54/587351454.db2.gz CGQRDWMRVHAPRQ-MRVPVSSYSA-N -1 3 248.290 0.753 20 0 BCADHM CON(C)CCOc1cccc(-c2nnn[n-]2)c1 ZINC000826166681 587351485 /nfs/dbraw/zinc/35/14/85/587351485.db2.gz WHUSQBRWKFYFIL-UHFFFAOYSA-N -1 3 249.274 0.739 20 0 BCADHM CON(C)CCOc1cccc(-c2nn[n-]n2)c1 ZINC000826166681 587351486 /nfs/dbraw/zinc/35/14/86/587351486.db2.gz WHUSQBRWKFYFIL-UHFFFAOYSA-N -1 3 249.274 0.739 20 0 BCADHM C[C@@H](CO)Nc1cnccc1-c1nnn[n-]1 ZINC000826231974 587351617 /nfs/dbraw/zinc/35/16/17/587351617.db2.gz YLJXKXYJINFAFG-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM C[C@@H](CO)Nc1cnccc1-c1nn[n-]n1 ZINC000826231974 587351618 /nfs/dbraw/zinc/35/16/18/587351618.db2.gz YLJXKXYJINFAFG-LURJTMIESA-N -1 3 220.236 0.054 20 0 BCADHM Cc1cc(-c2nnn[n-]2)ccc1OCCCO ZINC000826255070 587351851 /nfs/dbraw/zinc/35/18/51/587351851.db2.gz KEIYVSXNVPRRIS-UHFFFAOYSA-N -1 3 234.259 0.936 20 0 BCADHM Cc1cc(-c2nn[n-]n2)ccc1OCCCO ZINC000826255070 587351852 /nfs/dbraw/zinc/35/18/52/587351852.db2.gz KEIYVSXNVPRRIS-UHFFFAOYSA-N -1 3 234.259 0.936 20 0 BCADHM COCCCN(C)c1cnccc1-c1nnn[n-]1 ZINC000826156105 587351877 /nfs/dbraw/zinc/35/18/77/587351877.db2.gz PWNCCPDOWAMGLK-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM COCCCN(C)c1cnccc1-c1nn[n-]n1 ZINC000826156105 587351878 /nfs/dbraw/zinc/35/18/78/587351878.db2.gz PWNCCPDOWAMGLK-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM Cc1noc(-c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC000826338308 587351979 /nfs/dbraw/zinc/35/19/79/587351979.db2.gz RBGKZDXXKRYMKX-UHFFFAOYSA-N -1 3 217.192 0.553 20 0 BCADHM Cc1noc(-c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC000826338308 587351980 /nfs/dbraw/zinc/35/19/80/587351980.db2.gz RBGKZDXXKRYMKX-UHFFFAOYSA-N -1 3 217.192 0.553 20 0 BCADHM Cn1cc(CCn2ccc(-c3nnn[n-]3)c2)cn1 ZINC000826360572 587351990 /nfs/dbraw/zinc/35/19/90/587351990.db2.gz PQMOSMPIPVLPRM-UHFFFAOYSA-N -1 3 243.274 0.644 20 0 BCADHM Cn1cc(CCn2ccc(-c3nn[n-]n3)c2)cn1 ZINC000826360572 587351991 /nfs/dbraw/zinc/35/19/91/587351991.db2.gz PQMOSMPIPVLPRM-UHFFFAOYSA-N -1 3 243.274 0.644 20 0 BCADHM Cc1ccnc(NC[C@@H](C)O)c1-c1nnn[n-]1 ZINC000826312510 587352130 /nfs/dbraw/zinc/35/21/30/587352130.db2.gz GJYRQTNYAFOHAZ-SSDOTTSWSA-N -1 3 234.263 0.363 20 0 BCADHM Cc1ccnc(NC[C@@H](C)O)c1-c1nn[n-]n1 ZINC000826312510 587352131 /nfs/dbraw/zinc/35/21/31/587352131.db2.gz GJYRQTNYAFOHAZ-SSDOTTSWSA-N -1 3 234.263 0.363 20 0 BCADHM FC1CN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826370351 587352637 /nfs/dbraw/zinc/35/26/37/587352637.db2.gz OJYSOHGGUZXLPC-UHFFFAOYSA-N -1 3 220.211 0.420 20 0 BCADHM FC1CN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826370351 587352638 /nfs/dbraw/zinc/35/26/38/587352638.db2.gz OJYSOHGGUZXLPC-UHFFFAOYSA-N -1 3 220.211 0.420 20 0 BCADHM O=C(Nc1cc[nH]n1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826451327 587352765 /nfs/dbraw/zinc/35/27/65/587352765.db2.gz BDVCJHIONWKOHU-UHFFFAOYSA-N -1 3 244.218 0.170 20 0 BCADHM O=C(Nc1cc[nH]n1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826451327 587352766 /nfs/dbraw/zinc/35/27/66/587352766.db2.gz BDVCJHIONWKOHU-UHFFFAOYSA-N -1 3 244.218 0.170 20 0 BCADHM O=C(OCC(F)F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826462870 587352790 /nfs/dbraw/zinc/35/27/90/587352790.db2.gz LKCUICXAPNAGRA-UHFFFAOYSA-N -1 3 243.173 0.617 20 0 BCADHM O=C(OCC1CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826462808 587352829 /nfs/dbraw/zinc/35/28/29/587352829.db2.gz JMJHEWAUZWSPCG-UHFFFAOYSA-N -1 3 233.231 0.762 20 0 BCADHM O=C(NCCCF)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826436902 587353278 /nfs/dbraw/zinc/35/32/78/587353278.db2.gz NVLOEDHZIZTVSB-UHFFFAOYSA-N -1 3 238.226 0.284 20 0 BCADHM O=C(NCCCF)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826436902 587353279 /nfs/dbraw/zinc/35/32/79/587353279.db2.gz NVLOEDHZIZTVSB-UHFFFAOYSA-N -1 3 238.226 0.284 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000826665015 587358378 /nfs/dbraw/zinc/35/83/78/587358378.db2.gz IXGIUTTYKKPVCU-PHDIDXHHSA-N -1 3 227.182 0.879 20 0 BCADHM CCCCN1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000826837409 587363934 /nfs/dbraw/zinc/36/39/34/587363934.db2.gz YNBLTWDZPBJJOL-SNVBAGLBSA-N -1 3 229.324 0.670 20 0 BCADHM CC(C)N(C)CC(=O)NC1(CC(=O)[O-])CCC1 ZINC000826930580 587365773 /nfs/dbraw/zinc/36/57/73/587365773.db2.gz YVMVCNWSBWHWHY-UHFFFAOYSA-N -1 3 242.319 0.840 20 0 BCADHM CC(C)N(C)CC(=O)N(CC(=O)[O-])C1CC1 ZINC000826930596 587365784 /nfs/dbraw/zinc/36/57/84/587365784.db2.gz ZSXHRNHQPNYLBA-UHFFFAOYSA-N -1 3 228.292 0.402 20 0 BCADHM CC(C)N(C)CC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000826930513 587365794 /nfs/dbraw/zinc/36/57/94/587365794.db2.gz TWGLWWUELMNHTI-LLVKDONJSA-N -1 3 246.282 0.352 20 0 BCADHM CCN(CCNC(=O)[O-])C[C@H]1CCCO1 ZINC000827147003 587370948 /nfs/dbraw/zinc/37/09/48/587370948.db2.gz XSCIPJXBJBXPOF-SECBINFHSA-N -1 3 216.281 0.755 20 0 BCADHM CCN(CCNC(=O)[O-])CCC(=O)OC ZINC000827146895 587370961 /nfs/dbraw/zinc/37/09/61/587370961.db2.gz VCGUSIDKOAGWLG-UHFFFAOYSA-N -1 3 218.253 0.139 20 0 BCADHM O=S(=O)([N-][C@@H](CO)C1CC1)c1cscn1 ZINC000827199222 587372608 /nfs/dbraw/zinc/37/26/08/587372608.db2.gz AIXHFDCXWPPNOB-ZETCQYMHSA-N -1 3 248.329 0.192 20 0 BCADHM CCN1C[C@H](NC(=O)[C@@H](C)NC(=O)[O-])[C@@H](C)C1 ZINC000827201710 587372631 /nfs/dbraw/zinc/37/26/31/587372631.db2.gz YFAFOKRQGASSNX-YIZRAAEISA-N -1 3 243.307 0.099 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H]1CN(C)C ZINC000827258046 587374429 /nfs/dbraw/zinc/37/44/29/587374429.db2.gz WCNVDEOHFLPHQQ-ZJUUUORDSA-N -1 3 242.319 0.650 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H]1CN(C)C ZINC000827258044 587374499 /nfs/dbraw/zinc/37/44/99/587374499.db2.gz WCNVDEOHFLPHQQ-UWVGGRQHSA-N -1 3 242.319 0.650 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000827284427 587375210 /nfs/dbraw/zinc/37/52/10/587375210.db2.gz ZCUYTIQLWPIPHO-RKDXNWHRSA-N -1 3 240.303 0.450 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)NCCN1CCC[C@@H]1C ZINC000827289710 587375580 /nfs/dbraw/zinc/37/55/80/587375580.db2.gz ADBHVUHXLTXPJZ-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM CCOC(=O)CCN1CC[C@H](N(C)C(=O)[O-])C1 ZINC000827305854 587376290 /nfs/dbraw/zinc/37/62/90/587376290.db2.gz MSBRVPFLIMLOTP-VIFPVBQESA-N -1 3 244.291 0.624 20 0 BCADHM CCOC[C@@H]1CCN(CCNC(=O)[O-])C1 ZINC000827393965 587379674 /nfs/dbraw/zinc/37/96/74/587379674.db2.gz JKHCZRRKRWXNLC-SECBINFHSA-N -1 3 216.281 0.612 20 0 BCADHM CCOCCN(CC)CCNC(=O)[O-] ZINC000827399917 587379956 /nfs/dbraw/zinc/37/99/56/587379956.db2.gz TVCQOINBGBETCX-UHFFFAOYSA-N -1 3 204.270 0.612 20 0 BCADHM CCOCCN(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000827399903 587379997 /nfs/dbraw/zinc/37/99/97/587379997.db2.gz SKMNVZDRDCFKIK-VIFPVBQESA-N -1 3 216.281 0.707 20 0 BCADHM C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)C(=O)[O-] ZINC000827432207 587380888 /nfs/dbraw/zinc/38/08/88/587380888.db2.gz IIRKPAMMVXYBOE-VIFPVBQESA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@@H](O)CN1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000827508637 587384750 /nfs/dbraw/zinc/38/47/50/587384750.db2.gz PMGRPKIPEYHQDL-OPRDCNLKSA-N -1 3 230.308 0.830 20 0 BCADHM Cc1ccc([O-])c(CN2CCCN(C=O)CC2)n1 ZINC000827872311 587406447 /nfs/dbraw/zinc/40/64/47/587406447.db2.gz UTDGRURNIKRSLL-UHFFFAOYSA-N -1 3 249.314 0.760 20 0 BCADHM CN(C)[C@@]1(CNC(=O)[O-])CCSC1 ZINC000828000270 587415941 /nfs/dbraw/zinc/41/59/41/587415941.db2.gz ITULZQFTFXLBIQ-MRVPVSSYSA-N -1 3 204.295 0.691 20 0 BCADHM CN(C)CCN(C)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828029786 587416920 /nfs/dbraw/zinc/41/69/20/587416920.db2.gz APIXMPGGJFECGV-VIFPVBQESA-N -1 3 243.307 0.006 20 0 BCADHM CN(C)CCNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000828036854 587417443 /nfs/dbraw/zinc/41/74/43/587417443.db2.gz IIUCVIPREGETGL-UHFFFAOYSA-N -1 3 243.307 0.054 20 0 BCADHM NC1(C(=O)[N-]O[C@H]2CCCCO2)CCC1 ZINC000828059347 587418691 /nfs/dbraw/zinc/41/86/91/587418691.db2.gz LFCIANKNPOBHLB-QMMMGPOBSA-N -1 3 214.265 0.442 20 0 BCADHM C[C@H]1CC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1 ZINC000828149272 587421771 /nfs/dbraw/zinc/42/17/71/587421771.db2.gz IVTHLKWQNDECCN-UWVGGRQHSA-N -1 3 240.303 0.751 20 0 BCADHM C[C@H]1CC[C@H](C)N(CC(=O)NCCC(=O)[O-])C1 ZINC000828214354 587424519 /nfs/dbraw/zinc/42/45/19/587424519.db2.gz LIHXAMOBYUYBFI-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM CN(C[C@H]1CCCO1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828236215 587427007 /nfs/dbraw/zinc/42/70/07/587427007.db2.gz ODSAXGZHZAGQHC-NXEZZACHSA-N -1 3 228.292 0.850 20 0 BCADHM CN(CCn1cccn1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828345993 587437764 /nfs/dbraw/zinc/43/77/64/587437764.db2.gz OMRMPAGWMCKFRB-JTQLQIEISA-N -1 3 238.291 0.567 20 0 BCADHM C[C@H]1CN(CC(=O)NCCC(=O)[O-])C(C)(C)C1 ZINC000828439707 587442541 /nfs/dbraw/zinc/44/25/41/587442541.db2.gz JOQBIUPIJSDRSH-SECBINFHSA-N -1 3 242.319 0.698 20 0 BCADHM CC[C@@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)N(C)C ZINC000828586272 587451502 /nfs/dbraw/zinc/45/15/02/587451502.db2.gz CLICNPSRJSASHC-ZJUUUORDSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)N(C)C ZINC000828586359 587451559 /nfs/dbraw/zinc/45/15/59/587451559.db2.gz DUGYRLPRQQBMNV-BXKDBHETSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@H](C(=O)[O-])N(CCO)Cc1cccnc1 ZINC000828594437 587452272 /nfs/dbraw/zinc/45/22/72/587452272.db2.gz BXQDZEIKDRPJMO-LLVKDONJSA-N -1 3 238.287 0.739 20 0 BCADHM CC[C@H](C(=O)OC)N1CC[C@](C)(C(=O)[O-])C1 ZINC000828603185 587452736 /nfs/dbraw/zinc/45/27/36/587452736.db2.gz FJMAHPCKHHNXJK-KCJUWKMLSA-N -1 3 229.276 0.735 20 0 BCADHM CC[C@](C)(CC(=O)[O-])NCc1cn(C)nn1 ZINC000828665077 587456094 /nfs/dbraw/zinc/45/60/94/587456094.db2.gz NZYDQHQIWBYYBD-SNVBAGLBSA-N -1 3 226.280 0.548 20 0 BCADHM CC[C@@](C)(CC(=O)[O-])NCc1ncnn1C ZINC000828671170 587456302 /nfs/dbraw/zinc/45/63/02/587456302.db2.gz BBSIGRXEAKZKHU-JTQLQIEISA-N -1 3 226.280 0.548 20 0 BCADHM COC(=O)CCN(C)[C@H](C)CNC(=O)[O-] ZINC000828670489 587456424 /nfs/dbraw/zinc/45/64/24/587456424.db2.gz GFYFBMARGUMJTR-SSDOTTSWSA-N -1 3 218.253 0.137 20 0 BCADHM CC[C@@H](C)[C@@H](NCC(=O)N(CC)CC)C(=O)[O-] ZINC000828737084 587459258 /nfs/dbraw/zinc/45/92/58/587459258.db2.gz KMLPHBXUGXKHHD-MWLCHTKSSA-N -1 3 244.335 0.944 20 0 BCADHM COCCOC[C@@H]1CCN(CCNC(=O)[O-])C1 ZINC000829002715 587478997 /nfs/dbraw/zinc/47/89/97/587478997.db2.gz XMQIENPQOHQABJ-SNVBAGLBSA-N -1 3 246.307 0.239 20 0 BCADHM CCCCC[C@@H](O)C(=O)[N-]c1nncn1C ZINC000829403494 587496073 /nfs/dbraw/zinc/49/60/73/587496073.db2.gz HZFIWSLMZFEYPF-MRVPVSSYSA-N -1 3 226.280 0.695 20 0 BCADHM CCCN(C)CC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000829458284 587498771 /nfs/dbraw/zinc/49/87/71/587498771.db2.gz MRTVHJFNLIFHGK-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CC1CCCC1 ZINC000829562183 587504051 /nfs/dbraw/zinc/50/40/51/587504051.db2.gz ZPQLNKOJLWRPCR-QMMMGPOBSA-N -1 3 246.332 0.584 20 0 BCADHM CCN(CC)CC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000829672066 587508642 /nfs/dbraw/zinc/50/86/42/587508642.db2.gz XZPFHDBSPRYMPG-JTQLQIEISA-N -1 3 228.292 0.308 20 0 BCADHM CCN(CC)CC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000829671499 587509004 /nfs/dbraw/zinc/50/90/04/587509004.db2.gz CKELBWLCPZYUII-LBPRGKRZSA-N -1 3 242.319 0.651 20 0 BCADHM COCCO[N-]C(=O)Cc1ccncc1Cl ZINC000829682730 587509213 /nfs/dbraw/zinc/50/92/13/587509213.db2.gz LCSFCYFQSTYMOS-UHFFFAOYSA-N -1 3 244.678 0.972 20 0 BCADHM COCCO[N-]C(=O)CCc1ccon1 ZINC000829682940 587509327 /nfs/dbraw/zinc/50/93/27/587509327.db2.gz PITRDKIKAMNKDA-UHFFFAOYSA-N -1 3 214.221 0.301 20 0 BCADHM COCCO[N-]C(=O)C[C@H](C)[C@@H]1CCCO1 ZINC000829683029 587509351 /nfs/dbraw/zinc/50/93/51/587509351.db2.gz QSWPEBALQRTHNB-UWVGGRQHSA-N -1 3 231.292 0.886 20 0 BCADHM CCN1C[C@H](NC(=O)[C@@H](C)CC(=O)[O-])[C@@H](C)C1 ZINC000829743780 587513389 /nfs/dbraw/zinc/51/33/89/587513389.db2.gz BPDAQTREHBPDKO-GUBZILKMSA-N -1 3 242.319 0.554 20 0 BCADHM Cc1cc(F)c(CC(=O)[N-]OCCO)cc1F ZINC000829763610 587514281 /nfs/dbraw/zinc/51/42/81/587514281.db2.gz OSTCUMFHVRIXEF-UHFFFAOYSA-N -1 3 245.225 0.856 20 0 BCADHM CCN1CCC[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])C1 ZINC000829765339 587514756 /nfs/dbraw/zinc/51/47/56/587514756.db2.gz QDZPUFIXGCHLOR-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM CCOC(=O)[C@H](CC)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000829823000 587520381 /nfs/dbraw/zinc/52/03/81/587520381.db2.gz QMNZLKHRFYQRJP-AEJSXWLSSA-N -1 3 243.303 0.981 20 0 BCADHM CCc1cc(C(=O)N2CC=C(N)N2)ccc1[O-] ZINC000829848382 587523727 /nfs/dbraw/zinc/52/37/27/587523727.db2.gz BHTHBQCWQHYNAR-UHFFFAOYSA-N -1 3 233.271 0.715 20 0 BCADHM O=C(N=S1(=O)CCCC1)c1cc(=O)cc[n-]1 ZINC000829870887 587526443 /nfs/dbraw/zinc/52/64/43/587526443.db2.gz JDCCDQHXSFYIQY-UHFFFAOYSA-N -1 3 240.284 0.777 20 0 BCADHM CCOCCN[C@@H](C(=O)[O-])c1cccnc1 ZINC000830012110 587532132 /nfs/dbraw/zinc/53/21/32/587532132.db2.gz UQODXNFHMHHZFN-SNVBAGLBSA-N -1 3 224.260 0.833 20 0 BCADHM CCOc1nc(NC(=O)C2(COC)CC2)n[n-]1 ZINC000830399747 587549434 /nfs/dbraw/zinc/54/94/34/587549434.db2.gz LARPMMNQOPRDNY-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1nnc(NC(=O)C2(COC)CC2)[n-]1 ZINC000830399747 587549436 /nfs/dbraw/zinc/54/94/36/587549436.db2.gz LARPMMNQOPRDNY-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2(COC)CC2)n1 ZINC000830399747 587549437 /nfs/dbraw/zinc/54/94/37/587549437.db2.gz LARPMMNQOPRDNY-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOc1nnc(NC(=O)Cc2ccco2)[n-]1 ZINC000830399243 587549695 /nfs/dbraw/zinc/54/96/95/587549695.db2.gz BQCQEBQTCZGPCF-UHFFFAOYSA-N -1 3 236.231 0.978 20 0 BCADHM CCOc1nc(NC(=O)Cc2ccco2)n[n-]1 ZINC000830399243 587549697 /nfs/dbraw/zinc/54/96/97/587549697.db2.gz BQCQEBQTCZGPCF-UHFFFAOYSA-N -1 3 236.231 0.978 20 0 BCADHM CCOc1n[n-]c(NC(=O)Cc2ccco2)n1 ZINC000830399243 587549698 /nfs/dbraw/zinc/54/96/98/587549698.db2.gz BQCQEBQTCZGPCF-UHFFFAOYSA-N -1 3 236.231 0.978 20 0 BCADHM CCOc1nc(NC(=O)C2(F)CC2)n[n-]1 ZINC000830404044 587549998 /nfs/dbraw/zinc/54/99/98/587549998.db2.gz QKANELGMFUUICV-UHFFFAOYSA-N -1 3 214.200 0.644 20 0 BCADHM CCOc1nnc(NC(=O)C2(F)CC2)[n-]1 ZINC000830404044 587550000 /nfs/dbraw/zinc/55/00/00/587550000.db2.gz QKANELGMFUUICV-UHFFFAOYSA-N -1 3 214.200 0.644 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2(F)CC2)n1 ZINC000830404044 587550001 /nfs/dbraw/zinc/55/00/01/587550001.db2.gz QKANELGMFUUICV-UHFFFAOYSA-N -1 3 214.200 0.644 20 0 BCADHM CCOc1nc(NC(=O)CC2CSC2)n[n-]1 ZINC000830403246 587550125 /nfs/dbraw/zinc/55/01/25/587550125.db2.gz COJPXFVMPVSEBT-UHFFFAOYSA-N -1 3 242.304 0.895 20 0 BCADHM CCOc1nnc(NC(=O)CC2CSC2)[n-]1 ZINC000830403246 587550127 /nfs/dbraw/zinc/55/01/27/587550127.db2.gz COJPXFVMPVSEBT-UHFFFAOYSA-N -1 3 242.304 0.895 20 0 BCADHM CCOc1n[n-]c(NC(=O)CC2CSC2)n1 ZINC000830403246 587550129 /nfs/dbraw/zinc/55/01/29/587550129.db2.gz COJPXFVMPVSEBT-UHFFFAOYSA-N -1 3 242.304 0.895 20 0 BCADHM CC(C)CO[N-]C(=O)CCc1cn(C)nn1 ZINC000830893893 587575990 /nfs/dbraw/zinc/57/59/90/587575990.db2.gz NBOGEXSMNKQYKW-UHFFFAOYSA-N -1 3 226.280 0.452 20 0 BCADHM Cc1noc(CCN[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000830924389 587577655 /nfs/dbraw/zinc/57/76/55/587577655.db2.gz BBDDRYUTMGTCHB-MRVPVSSYSA-N -1 3 240.263 0.262 20 0 BCADHM COC(=O)/C(C)=C\CN(CC(=O)[O-])C1CC1 ZINC000831053073 587584007 /nfs/dbraw/zinc/58/40/07/587584007.db2.gz JXLCVBIIOQBODL-YVMONPNESA-N -1 3 227.260 0.655 20 0 BCADHM COC(=O)/C(C)=C\CN1CCC[C@H](C(=O)[O-])C1 ZINC000831053780 587584058 /nfs/dbraw/zinc/58/40/58/587584058.db2.gz UUSODPHOBPVZOS-BSKOKIOFSA-N -1 3 241.287 0.902 20 0 BCADHM COC(=O)/C(C)=C/CN(C)C[C@H](C)C(=O)[O-] ZINC000831052767 587584083 /nfs/dbraw/zinc/58/40/83/587584083.db2.gz AKRTZAUODYOVSL-QRJSTWQJSA-N -1 3 229.276 0.758 20 0 BCADHM COC(=O)/C(C)=C/CN1CC[C@](C)(C(=O)[O-])C1 ZINC000831052935 587584303 /nfs/dbraw/zinc/58/43/03/587584303.db2.gz FVQSONBAIQIVCT-KFRNIWOLSA-N -1 3 241.287 0.902 20 0 BCADHM Cn1nccc1CN[C@@H](CNC(=O)[O-])C1CC1 ZINC000831059593 587584679 /nfs/dbraw/zinc/58/46/79/587584679.db2.gz WCIGMIUIWUUFKG-JTQLQIEISA-N -1 3 238.291 0.556 20 0 BCADHM CCCO[N-]C(=O)Nc1ccc(C(N)=O)nc1 ZINC000831560356 587619473 /nfs/dbraw/zinc/61/94/73/587619473.db2.gz UWOYJNNLPSLQKP-UHFFFAOYSA-N -1 3 238.247 0.644 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1nccc(N)n1 ZINC000831623972 587624617 /nfs/dbraw/zinc/62/46/17/587624617.db2.gz IQJLNZMYDHCPCB-UHFFFAOYSA-N -1 3 230.218 0.720 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H](COC)C(=O)OC ZINC000831812217 587632779 /nfs/dbraw/zinc/63/27/79/587632779.db2.gz OLAVUZCOVAUCOQ-ZCFIWIBFSA-N -1 3 239.218 0.336 20 0 BCADHM O=C([O-])N1CC(NCC2=CCCOC2)C1 ZINC000831852945 587634705 /nfs/dbraw/zinc/63/47/05/587634705.db2.gz XZPCXWGNGDGVIR-UHFFFAOYSA-N -1 3 212.249 0.285 20 0 BCADHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1CCO ZINC000831996598 587642267 /nfs/dbraw/zinc/64/22/67/587642267.db2.gz HSSYFHIMTDUNPN-GHMZBOCLSA-N -1 3 242.319 0.976 20 0 BCADHM O=C([O-])NC1CCN([C@H]2CCOC2)CC1 ZINC000832382443 587657061 /nfs/dbraw/zinc/65/70/61/587657061.db2.gz XDBQBSZCXOEVIU-VIFPVBQESA-N -1 3 214.265 0.507 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1nc(N(C)C)no1 ZINC000832405171 587658361 /nfs/dbraw/zinc/65/83/61/587658361.db2.gz IITZKIOPTUDAHX-UHFFFAOYSA-N -1 3 248.233 0.797 20 0 BCADHM C[C@@H](CC(=O)[N-]OCCO)[C@@H]1CCCO1 ZINC000832411888 587659212 /nfs/dbraw/zinc/65/92/12/587659212.db2.gz KNBOBAZQFDAFMT-IUCAKERBSA-N -1 3 217.265 0.232 20 0 BCADHM C[C@]1(CNC(=O)c2c[n-]nn2)CCCCO1 ZINC000832501675 587664164 /nfs/dbraw/zinc/66/41/64/587664164.db2.gz LLGDNZZXUNVCDW-SNVBAGLBSA-N -1 3 224.264 0.494 20 0 BCADHM C[C@]1(CNC(=O)c2cnn[n-]2)CCCCO1 ZINC000832501675 587664165 /nfs/dbraw/zinc/66/41/65/587664165.db2.gz LLGDNZZXUNVCDW-SNVBAGLBSA-N -1 3 224.264 0.494 20 0 BCADHM C[C@]1(CNC(=O)c2cn[n-]n2)CCCCO1 ZINC000832501675 587664166 /nfs/dbraw/zinc/66/41/66/587664166.db2.gz LLGDNZZXUNVCDW-SNVBAGLBSA-N -1 3 224.264 0.494 20 0 BCADHM O=C([O-])NCCN(CCCO)C1CC1 ZINC000832635836 587671137 /nfs/dbraw/zinc/67/11/37/587671137.db2.gz FBNKYBIWAPVUNW-UHFFFAOYSA-N -1 3 202.254 0.101 20 0 BCADHM O=C([O-])NCCN1CCC[C@H](C2OCCO2)C1 ZINC000832642360 587671932 /nfs/dbraw/zinc/67/19/32/587671932.db2.gz XREMDSHIOOGRPA-VIFPVBQESA-N -1 3 244.291 0.339 20 0 BCADHM C[S@](=O)CCCNCc1c[nH]c(C(=O)[O-])c1 ZINC000832729502 587680325 /nfs/dbraw/zinc/68/03/25/587680325.db2.gz DUFCFBXAUBKUHU-INIZCTEOSA-N -1 3 244.316 0.571 20 0 BCADHM Cc1cc(N2CCC[C@H]2CC(=O)[O-])nc(N)n1 ZINC000832891761 587694524 /nfs/dbraw/zinc/69/45/24/587694524.db2.gz YTLFUWXKSOYIGE-QMMMGPOBSA-N -1 3 236.275 0.811 20 0 BCADHM O=C([O-])[C@]1(F)CCN(CC2CCOCC2)C1 ZINC000833176383 587701566 /nfs/dbraw/zinc/70/15/66/587701566.db2.gz XZOZWBSFHRMLIC-NSHDSACASA-N -1 3 231.267 0.912 20 0 BCADHM CC(C)(CNCc1ccc(CO)o1)C(=O)[O-] ZINC000833458180 587715451 /nfs/dbraw/zinc/71/54/51/587715451.db2.gz JPTYTHHPRYTHJA-UHFFFAOYSA-N -1 3 227.260 0.972 20 0 BCADHM CC(C)[C@H](C)N(C)CN1C[C@H](C(=O)[O-])CC1=O ZINC000833468175 587716272 /nfs/dbraw/zinc/71/62/72/587716272.db2.gz BWVXHRXFPPVNKV-VHSXEESVSA-N -1 3 242.319 0.853 20 0 BCADHM CC(C)[C@@H](C)N(C)CN1C[C@@H](C(=O)[O-])CC1=O ZINC000833468177 587716410 /nfs/dbraw/zinc/71/64/10/587716410.db2.gz BWVXHRXFPPVNKV-ZJUUUORDSA-N -1 3 242.319 0.853 20 0 BCADHM CC(C)CN(CCC(=O)[O-])Cc1cnnn1C ZINC000833486715 587717296 /nfs/dbraw/zinc/71/72/96/587717296.db2.gz PSEHXBOGFBWSPY-UHFFFAOYSA-N -1 3 240.307 0.748 20 0 BCADHM CC(C)N(CCO)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833497487 587717608 /nfs/dbraw/zinc/71/76/08/587717608.db2.gz BEQBTQDGDLJVNV-UHFFFAOYSA-N -1 3 226.276 0.916 20 0 BCADHM C[C@H](CN(CC1OCCO1)C1CC1)C(=O)[O-] ZINC000833516181 587718071 /nfs/dbraw/zinc/71/80/71/587718071.db2.gz GRGNTUZOBGTQLE-MRVPVSSYSA-N -1 3 229.276 0.544 20 0 BCADHM C[C@]1(C(=O)[O-])CCN(Cn2cnnc2)C1 ZINC000833554617 587719674 /nfs/dbraw/zinc/71/96/74/587719674.db2.gz CIOBYMLXLRWTGP-VIFPVBQESA-N -1 3 210.237 0.032 20 0 BCADHM C[C@]1(C(=O)[O-])CCN(CC2OCCO2)C1 ZINC000833554310 587719916 /nfs/dbraw/zinc/71/99/16/587719916.db2.gz RGEMERRCXXEGSC-JTQLQIEISA-N -1 3 215.249 0.156 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN(C)C[C@H](C)O)O1 ZINC000833576925 587720855 /nfs/dbraw/zinc/72/08/55/587720855.db2.gz LYGZCZXGSMXULB-IONNQARKSA-N -1 3 229.276 0.447 20 0 BCADHM C[C@]1(NCc2c[nH]c(C(=O)[O-])c2)CCOC1 ZINC000833572410 587721259 /nfs/dbraw/zinc/72/12/59/587721259.db2.gz TTWQKPOPWTWSRO-NSHDSACASA-N -1 3 224.260 0.982 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN(C)CCO)O1 ZINC000833575536 587721338 /nfs/dbraw/zinc/72/13/38/587721338.db2.gz ALABLAHBBGUPIX-MRVPVSSYSA-N -1 3 215.249 0.058 20 0 BCADHM C[C@@H]1CN(CCC(=O)[O-])CCN1CCCCO ZINC000833628054 587725284 /nfs/dbraw/zinc/72/52/84/587725284.db2.gz AHZSYSCWNAPYEJ-LLVKDONJSA-N -1 3 244.335 0.240 20 0 BCADHM CCC[C@@H](C(=O)NCC(C)(C)C(=O)[O-])N(C)C ZINC000833647909 587726545 /nfs/dbraw/zinc/72/65/45/587726545.db2.gz LIJRXSSHSUHEAG-VIFPVBQESA-N -1 3 244.335 0.944 20 0 BCADHM CN(C)C(=O)CCNCc1ccc(C(=O)[O-])[nH]1 ZINC000833687456 587727847 /nfs/dbraw/zinc/72/78/47/587727847.db2.gz GVYAIJDVUNTWRM-UHFFFAOYSA-N -1 3 239.275 0.281 20 0 BCADHM CNC(=O)[C@@H](NC/C=C(/C)C(=O)[O-])C(C)C ZINC000833699038 587728899 /nfs/dbraw/zinc/72/88/99/587728899.db2.gz DCBOBPHHRTWRQF-RDOCRHDPSA-N -1 3 228.292 0.378 20 0 BCADHM CC(C)[C@@H](CNC1CSC1)NC(=O)[O-] ZINC000833793435 587732585 /nfs/dbraw/zinc/73/25/85/587732585.db2.gz TXWDELDTBFSZMP-MRVPVSSYSA-N -1 3 218.322 0.984 20 0 BCADHM C[C@@H]1[C@H](C)N(CCCCO)CCN1C(=O)[O-] ZINC000833825887 587734491 /nfs/dbraw/zinc/73/44/91/587734491.db2.gz DKDPRAKPMVLWMY-VHSXEESVSA-N -1 3 230.308 0.832 20 0 BCADHM CN(CCNC(=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000833872902 587737388 /nfs/dbraw/zinc/73/73/88/587737388.db2.gz QYQDKIRTTHGKRL-NXEZZACHSA-N -1 3 230.308 0.737 20 0 BCADHM CN(CCNC(=O)[O-])CCc1ccccn1 ZINC000833872215 587737607 /nfs/dbraw/zinc/73/76/07/587737607.db2.gz HMINCFUJFVYZFG-UHFFFAOYSA-N -1 3 223.276 0.824 20 0 BCADHM COCC1(N[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833881893 587738304 /nfs/dbraw/zinc/73/83/04/587738304.db2.gz JVUNSUGOFVOUDL-MRVPVSSYSA-N -1 3 214.265 0.507 20 0 BCADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000833895781 587738954 /nfs/dbraw/zinc/73/89/54/587738954.db2.gz IAHVILGPKPVSQP-BDAKNGLRSA-N -1 3 243.307 0.195 20 0 BCADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)C(=O)N(C)C ZINC000833895782 587738968 /nfs/dbraw/zinc/73/89/68/587738968.db2.gz IAHVILGPKPVSQP-RKDXNWHRSA-N -1 3 243.307 0.195 20 0 BCADHM Cn1ccnc1CNC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833957637 587740111 /nfs/dbraw/zinc/74/01/11/587740111.db2.gz QZJREFHEEGEGSU-VIFPVBQESA-N -1 3 238.291 0.510 20 0 BCADHM Cn1cncc1CNCC1(NC(=O)[O-])CCC1 ZINC000833959468 587740148 /nfs/dbraw/zinc/74/01/48/587740148.db2.gz VFMVWDPLCVQBIQ-UHFFFAOYSA-N -1 3 238.291 0.700 20 0 BCADHM Cn1nncc1CNCC1(NC(=O)[O-])CCC1 ZINC000833959645 587740350 /nfs/dbraw/zinc/74/03/50/587740350.db2.gz CBADSHUFJCFEAN-UHFFFAOYSA-N -1 3 239.279 0.095 20 0 BCADHM O=C([O-])N1CC(CNCc2cccnc2)C1 ZINC000834068355 587743725 /nfs/dbraw/zinc/74/37/25/587743725.db2.gz CBTVOTXIETVCCL-UHFFFAOYSA-N -1 3 221.260 0.781 20 0 BCADHM O=C([O-])N1CC(N[C@H]2CCCSC2)C1 ZINC000834070354 587743982 /nfs/dbraw/zinc/74/39/82/587743982.db2.gz WFQFZNZTAMXAFQ-ZETCQYMHSA-N -1 3 216.306 0.834 20 0 BCADHM O=C([O-])N1CC[C@H](CNCc2cncnc2)C1 ZINC000834076714 587744476 /nfs/dbraw/zinc/74/44/76/587744476.db2.gz CMQLVWZIQFRBNB-SECBINFHSA-N -1 3 236.275 0.566 20 0 BCADHM O=C([O-])N1CCC[C@H]1CN1CCCOCC1 ZINC000834111467 587746236 /nfs/dbraw/zinc/74/62/36/587746236.db2.gz MVTCOGUGIIXHEK-JTQLQIEISA-N -1 3 228.292 0.851 20 0 BCADHM O=C([O-])NC[C@H]1CCN(Cc2cn[nH]c2)C1 ZINC000834225125 587748787 /nfs/dbraw/zinc/74/87/87/587748787.db2.gz GWMQIZPFAMDICW-MRVPVSSYSA-N -1 3 224.264 0.499 20 0 BCADHM O=C([O-])NC[C@@H](O)CN1CCCCC1 ZINC000834207065 587748973 /nfs/dbraw/zinc/74/89/73/587748973.db2.gz OYECDHGHCGGOBV-MRVPVSSYSA-N -1 3 202.254 0.101 20 0 BCADHM O=C([O-])NC[C@H]1CCN(CCC(=O)C2CC2)C1 ZINC000834226649 587749168 /nfs/dbraw/zinc/74/91/68/587749168.db2.gz ZZRWAUYQKDBESG-SECBINFHSA-N -1 3 240.303 0.945 20 0 BCADHM CC(C)OC1(CNC(=O)c2c[n-]nn2)CCC1 ZINC000834592506 587760233 /nfs/dbraw/zinc/76/02/33/587760233.db2.gz BWZXLPSWSYUGAB-UHFFFAOYSA-N -1 3 238.291 0.882 20 0 BCADHM CC(C)OC1(CNC(=O)c2cnn[n-]2)CCC1 ZINC000834592506 587760234 /nfs/dbraw/zinc/76/02/34/587760234.db2.gz BWZXLPSWSYUGAB-UHFFFAOYSA-N -1 3 238.291 0.882 20 0 BCADHM CC(C)OC1(CNC(=O)c2cn[n-]n2)CCC1 ZINC000834592506 587760235 /nfs/dbraw/zinc/76/02/35/587760235.db2.gz BWZXLPSWSYUGAB-UHFFFAOYSA-N -1 3 238.291 0.882 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1ccon1 ZINC000834618563 587761155 /nfs/dbraw/zinc/76/11/55/587761155.db2.gz UUETVCWRKUFDRD-UHFFFAOYSA-N -1 3 228.248 0.426 20 0 BCADHM Cn1cc(C(=O)[N-]OCC(C)(C)O)c(Cl)n1 ZINC000834618619 587761158 /nfs/dbraw/zinc/76/11/58/587761158.db2.gz XFQWMGZHEMBOGE-UHFFFAOYSA-N -1 3 247.682 0.506 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1cccnc1 ZINC000834628517 587761777 /nfs/dbraw/zinc/76/17/77/587761777.db2.gz PEADNYXMELEHGI-UHFFFAOYSA-N -1 3 238.287 0.833 20 0 BCADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2nncn2C)C1 ZINC000867151833 587821760 /nfs/dbraw/zinc/82/17/60/587821760.db2.gz PDMBZHGSLQNJCO-SFYZADRCSA-N -1 3 244.320 0.282 20 0 BCADHM COC(=O)CSCCC(=O)[N-]OC1CCC1 ZINC000836799380 587837337 /nfs/dbraw/zinc/83/73/37/587837337.db2.gz WPHMLVCOBQVPKD-UHFFFAOYSA-N -1 3 247.316 0.883 20 0 BCADHM CCOC1CC(C(=O)[N-]OC(C)(C)CO)C1 ZINC000836806437 587838209 /nfs/dbraw/zinc/83/82/09/587838209.db2.gz PNDVVJFLQBEOKT-UHFFFAOYSA-N -1 3 231.292 0.620 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CCC(C)(C)O ZINC000836892257 587841674 /nfs/dbraw/zinc/84/16/74/587841674.db2.gz QTBIQSACOQWISA-SECBINFHSA-N -1 3 233.308 0.602 20 0 BCADHM CS/C=C\C(=O)[N-]O[C@@H](CO)C(C)C ZINC000836894018 587841703 /nfs/dbraw/zinc/84/17/03/587841703.db2.gz ZKBVNRUYGWSOAU-LGYSABEFSA-N -1 3 219.306 0.928 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CC1(O)CCCC1 ZINC000836893457 587841951 /nfs/dbraw/zinc/84/19/51/587841951.db2.gz BDYRVTZDJLMNFH-SNVBAGLBSA-N -1 3 245.319 0.746 20 0 BCADHM CCOCCC(=O)[N-]O[C@H](CO)C(C)C ZINC000836899297 587842545 /nfs/dbraw/zinc/84/25/45/587842545.db2.gz ZPBWGECZFUZENN-SECBINFHSA-N -1 3 219.281 0.478 20 0 BCADHM CC[C@H]([N-]C(=O)C(C)(Cl)Cl)C(=O)NC ZINC000837165322 587856469 /nfs/dbraw/zinc/85/64/69/587856469.db2.gz HHNPPECBSPKCDI-YFKPBYRVSA-N -1 3 241.118 0.821 20 0 BCADHM O=C(OC[C@@H]1COCCO1)c1ccc([O-])cc1 ZINC000837338125 587867440 /nfs/dbraw/zinc/86/74/40/587867440.db2.gz XLFKJJHFUBZHHT-NSHDSACASA-N -1 3 238.239 0.964 20 0 BCADHM O=C(OC[C@H]1COCCO1)c1cncc([O-])c1 ZINC000837516349 587879492 /nfs/dbraw/zinc/87/94/92/587879492.db2.gz DVWOBBTVCQHYQG-SNVBAGLBSA-N -1 3 239.227 0.359 20 0 BCADHM O=C(O[C@H]1CCOC1)c1cncc([O-])c1 ZINC000837517374 587879664 /nfs/dbraw/zinc/87/96/64/587879664.db2.gz OEFXJJUZRBKUCE-VIFPVBQESA-N -1 3 209.201 0.733 20 0 BCADHM CCOCCCCCC(=O)[N-]OCCO ZINC000867496261 587891930 /nfs/dbraw/zinc/89/19/30/587891930.db2.gz FWOIKLOPQTYRRJ-UHFFFAOYSA-N -1 3 219.281 0.623 20 0 BCADHM CN(C)C(=O)COC(=O)c1cc([O-])ccc1F ZINC000837864646 587901197 /nfs/dbraw/zinc/90/11/97/587901197.db2.gz GTFITAYFTXLKPK-UHFFFAOYSA-N -1 3 241.218 0.776 20 0 BCADHM CC(C)(C)c1nnc(C[N-]C(=O)C(F)F)[nH]1 ZINC000837924965 587903313 /nfs/dbraw/zinc/90/33/13/587903313.db2.gz ZUWHQUWOECFYRK-UHFFFAOYSA-N -1 3 232.234 0.984 20 0 BCADHM CCO[N-]C(=O)CCCC(=O)NC(C)C ZINC000104138150 587939233 /nfs/dbraw/zinc/93/92/33/587939233.db2.gz ZAHKTOFYDAYZLL-UHFFFAOYSA-N -1 3 216.281 0.749 20 0 BCADHM CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)CC1CC1 ZINC000841533116 587957543 /nfs/dbraw/zinc/95/75/43/587957543.db2.gz BUISCSGRLCIOAQ-QMMMGPOBSA-N -1 3 247.316 0.267 20 0 BCADHM C[C@H]1NCCN(C(=O)c2ccc(N)cc2[O-])[C@H]1C ZINC000841850244 587977790 /nfs/dbraw/zinc/97/77/90/587977790.db2.gz GIYPXUWDCKABBQ-BDAKNGLRSA-N -1 3 249.314 0.797 20 0 BCADHM CCCn1c(SCC[S@@](C)=O)n[n-]c1=O ZINC000842521405 588032722 /nfs/dbraw/zinc/03/27/22/588032722.db2.gz BBEIEOHWORGXDQ-OAHLLOKOSA-N -1 3 249.361 0.864 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CC1=CCCC1 ZINC000842570574 588043415 /nfs/dbraw/zinc/04/34/15/588043415.db2.gz BSENCDDVCDYTFU-MRVPVSSYSA-N -1 3 244.316 0.504 20 0 BCADHM CCO[N-]C(=O)C12CC(C(=O)OC)(C1)C2 ZINC000843761271 588137692 /nfs/dbraw/zinc/13/76/92/588137692.db2.gz IPTMEACBCXNDJB-UHFFFAOYSA-N -1 3 213.233 0.397 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1CCC(=O)C1 ZINC000843863610 588146479 /nfs/dbraw/zinc/14/64/79/588146479.db2.gz QMIALPJNFHSJAL-RKDXNWHRSA-N -1 3 227.260 0.440 20 0 BCADHM CC[C@]1(C(=O)Nc2ncccc2[O-])CCNC1=O ZINC000867341612 588153264 /nfs/dbraw/zinc/15/32/64/588153264.db2.gz JSGYFRBVYXZVNC-LBPRGKRZSA-N -1 3 249.270 0.642 20 0 BCADHM CCCO[N-]C(=O)CCc1cnn(C)c1 ZINC000844082808 588162312 /nfs/dbraw/zinc/16/23/12/588162312.db2.gz HUIAUYZANQVQEP-UHFFFAOYSA-N -1 3 211.265 0.811 20 0 BCADHM CCCO[N-]C(=O)[C@H]1CCN(C(=O)CC)C1 ZINC000844085156 588163165 /nfs/dbraw/zinc/16/31/65/588163165.db2.gz CXUYMOPQBDXUFS-VIFPVBQESA-N -1 3 228.292 0.703 20 0 BCADHM CCCO[N-]C(=O)[C@@H](C)CS(C)(=O)=O ZINC000844084594 588163250 /nfs/dbraw/zinc/16/32/50/588163250.db2.gz BMDRKKUGUFITBT-ZETCQYMHSA-N -1 3 223.294 0.125 20 0 BCADHM CCCO[N-]C(=O)CCCn1cncn1 ZINC000844087132 588164877 /nfs/dbraw/zinc/16/48/77/588164877.db2.gz WBFFDKSJOCMMOG-UHFFFAOYSA-N -1 3 212.253 0.516 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1CCc2cncn2C1 ZINC000844135717 588169556 /nfs/dbraw/zinc/16/95/56/588169556.db2.gz UQBZISBVQUZPSD-SECBINFHSA-N -1 3 239.275 0.140 20 0 BCADHM O=C([N-]N1CN=NC1=O)C1(C(F)F)CC1 ZINC000844136554 588169698 /nfs/dbraw/zinc/16/96/98/588169698.db2.gz FYAMDFLENKROIV-UHFFFAOYSA-N -1 3 218.163 0.099 20 0 BCADHM COCC1(CC(=O)[N-]OCC(C)(C)O)CC1 ZINC000844136839 588169739 /nfs/dbraw/zinc/16/97/39/588169739.db2.gz KXRFRHHOEZYQOZ-UHFFFAOYSA-N -1 3 231.292 0.622 20 0 BCADHM COC(=O)CCCO[N-]C(=O)[C@H]1CCC(=O)C1 ZINC000844143026 588169914 /nfs/dbraw/zinc/16/99/14/588169914.db2.gz JBRABEVBHZBWNB-QMMMGPOBSA-N -1 3 243.259 0.357 20 0 BCADHM CC(=O)NCC(C)(C)C(=O)[N-]C1=NCCS1 ZINC000844315755 588183740 /nfs/dbraw/zinc/18/37/40/588183740.db2.gz IAKKPEKJDQSFQE-UHFFFAOYSA-N -1 3 243.332 0.368 20 0 BCADHM CS(C)(=O)=NS(=O)(=O)[N-]C1CCC1 ZINC000867375494 588219640 /nfs/dbraw/zinc/21/96/40/588219640.db2.gz GTPLJPZNCZCBPJ-UHFFFAOYSA-N -1 3 226.323 0.101 20 0 BCADHM O=C(O[C@@H]1C=CCCC1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845370715 588228346 /nfs/dbraw/zinc/22/83/46/588228346.db2.gz ARQWRAUWISHBQI-BDAKNGLRSA-N -1 3 245.300 0.330 20 0 BCADHM CC[C@H](C)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845373034 588228350 /nfs/dbraw/zinc/22/83/50/588228350.db2.gz MTUJBCCPGVHNFR-BQBZGAKWSA-N -1 3 221.278 0.020 20 0 BCADHM C[C@@H]1CC[C@@H](OC(=O)[C@@H]2CCS(=O)(=O)[N-]2)C1 ZINC000845376532 588228399 /nfs/dbraw/zinc/22/83/99/588228399.db2.gz RKZOFCKYCFYMEE-HLTSFMKQSA-N -1 3 247.316 0.410 20 0 BCADHM CC(C)C[C@H](C)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845376918 588228508 /nfs/dbraw/zinc/22/85/08/588228508.db2.gz VIWSJERBBVGSQK-IUCAKERBSA-N -1 3 249.332 0.656 20 0 BCADHM O=C(OC1CCCCC1)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845438218 588229583 /nfs/dbraw/zinc/22/95/83/588229583.db2.gz LKTGXSPEXXUFKY-VIFPVBQESA-N -1 3 247.316 0.554 20 0 BCADHM CCCC[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845492108 588230738 /nfs/dbraw/zinc/23/07/38/588230738.db2.gz FDUYIXSGGRYGIV-RKDXNWHRSA-N -1 3 249.332 0.800 20 0 BCADHM CC1(COC(=O)[C@@H]2CCS(=O)(=O)[N-]2)CCC1 ZINC000845531292 588232366 /nfs/dbraw/zinc/23/23/66/588232366.db2.gz DHYSOUQNAPAZCY-QMMMGPOBSA-N -1 3 247.316 0.412 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2COCO2)o1 ZINC000867397403 588246517 /nfs/dbraw/zinc/24/65/17/588246517.db2.gz KQXANESBQHLWSC-QMMMGPOBSA-N -1 3 247.272 0.239 20 0 BCADHM C=Cn1cc(CNCC(=O)[N-]OCC)cn1 ZINC000846086230 588255898 /nfs/dbraw/zinc/25/58/98/588255898.db2.gz MSITWOHZHFPLRZ-UHFFFAOYSA-N -1 3 224.264 0.141 20 0 BCADHM CCO[N-]C(=O)CNCc1sccc1OC ZINC000846084399 588255955 /nfs/dbraw/zinc/25/59/55/588255955.db2.gz CXCIEJMSRCASGF-UHFFFAOYSA-N -1 3 244.316 0.914 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc(Cl)nc1 ZINC000846088825 588256271 /nfs/dbraw/zinc/25/62/71/588256271.db2.gz MATKTGKQBPZBKD-UHFFFAOYSA-N -1 3 243.694 0.892 20 0 BCADHM COC/C(C)=C\C(=O)[N-]OC(C)(C)CO ZINC000846238817 588262202 /nfs/dbraw/zinc/26/22/02/588262202.db2.gz ONXVFDBZOCRGQS-YVMONPNESA-N -1 3 217.265 0.398 20 0 BCADHM C[C@@H](CC(=O)[N-]OC(C)(C)CO)n1ccnc1 ZINC000846236803 588262302 /nfs/dbraw/zinc/26/23/02/588262302.db2.gz CDSAKGRYZKFJTI-VIFPVBQESA-N -1 3 241.291 0.653 20 0 BCADHM CC(C)O[N-]C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000846237190 588262307 /nfs/dbraw/zinc/26/23/07/588262307.db2.gz HGLMJSBXXAUTLN-QMMMGPOBSA-N -1 3 235.305 0.267 20 0 BCADHM CCCO[N-]C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC000846278645 588263667 /nfs/dbraw/zinc/26/36/67/588263667.db2.gz TWJVYVHVGOONIJ-QMMMGPOBSA-N -1 3 235.305 0.269 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC000846278644 588263828 /nfs/dbraw/zinc/26/38/28/588263828.db2.gz TWJVYVHVGOONIJ-MRVPVSSYSA-N -1 3 235.305 0.269 20 0 BCADHM CN1CCC(O[N-]C(=O)C(C)(F)F)CC1 ZINC000846649279 588280747 /nfs/dbraw/zinc/28/07/47/588280747.db2.gz FTRXXRFDSZRJKP-UHFFFAOYSA-N -1 3 222.235 0.784 20 0 BCADHM CC[C@H](C(=O)[N-]OC1CCN(C)CC1)[C@H](C)O ZINC000846651119 588280932 /nfs/dbraw/zinc/28/09/32/588280932.db2.gz ZNJGFFZCQBSDDA-ONGXEEELSA-N -1 3 244.335 0.535 20 0 BCADHM C[Si](C)(C)CCCC(=O)[N-]OCC(N)=O ZINC000847656013 588323839 /nfs/dbraw/zinc/32/38/39/588323839.db2.gz XWOUCVFWNSAUCH-UHFFFAOYSA-N -1 3 232.356 0.638 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1cccc(CO)n1 ZINC000848040202 588349560 /nfs/dbraw/zinc/34/95/60/588349560.db2.gz FXRFFOZMPGGZCI-UHFFFAOYSA-N -1 3 230.214 0.845 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cccc([O-])c2)C(=O)O1 ZINC000848078341 588355129 /nfs/dbraw/zinc/35/51/29/588355129.db2.gz SMGLLQBUWSQAKL-XCBNKYQSSA-N -1 3 235.239 0.826 20 0 BCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]OC/C=C/Cl ZINC000848104687 588355565 /nfs/dbraw/zinc/35/55/65/588355565.db2.gz ANQMSVMALORINK-YOLPIDDVSA-N -1 3 232.667 0.298 20 0 BCADHM CC1(C)C[C@@](C)([N-]C(=O)C(F)F)C(=O)O1 ZINC000848153005 588362212 /nfs/dbraw/zinc/36/22/12/588362212.db2.gz IRIWIGWDFFCQLB-SECBINFHSA-N -1 3 221.203 0.852 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Cc1cncc(O)c1 ZINC000848374882 588374649 /nfs/dbraw/zinc/37/46/49/588374649.db2.gz DOLKWGKAAVIPFY-UHFFFAOYSA-N -1 3 240.259 0.148 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@]1(F)CCNC1 ZINC000849366352 588476020 /nfs/dbraw/zinc/47/60/20/588476020.db2.gz SRLIRTYNVKPZBT-OIBJUYFYSA-N -1 3 232.255 0.010 20 0 BCADHM CC(C)[C@@H](C)OC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000849659389 588484609 /nfs/dbraw/zinc/48/46/09/588484609.db2.gz HFJKPTZFLQLLES-HTQZYQBOSA-N -1 3 242.275 0.562 20 0 BCADHM CC(C)[C@H](C)OC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000849659394 588484727 /nfs/dbraw/zinc/48/47/27/588484727.db2.gz HFJKPTZFLQLLES-YUMQZZPRSA-N -1 3 242.275 0.562 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CC1CC=CC1 ZINC000849896467 588508820 /nfs/dbraw/zinc/50/88/20/588508820.db2.gz XPZSZCAUYGXHJR-QMMMGPOBSA-N -1 3 244.316 0.360 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@@H]1COC(=O)N1 ZINC000860544589 589105307 /nfs/dbraw/zinc/10/53/07/589105307.db2.gz QWFCDTJAEAWNMN-ZETCQYMHSA-N -1 3 236.227 0.748 20 0 BCADHM O=C(NCCCCCCO)c1cc(=O)[n-]cn1 ZINC000860609809 589109625 /nfs/dbraw/zinc/10/96/25/589109625.db2.gz NMKVIZPIKTYZAQ-UHFFFAOYSA-N -1 3 239.275 0.465 20 0 BCADHM OCCCSc1ncccc1-c1nnn[n-]1 ZINC000095143451 598860330 /nfs/dbraw/zinc/86/03/30/598860330.db2.gz XMKXJGHGCCZGIX-UHFFFAOYSA-N -1 3 237.288 0.736 20 0 BCADHM OCCCSc1ncccc1-c1nn[n-]n1 ZINC000095143451 598860331 /nfs/dbraw/zinc/86/03/31/598860331.db2.gz XMKXJGHGCCZGIX-UHFFFAOYSA-N -1 3 237.288 0.736 20 0 BCADHM COc1cc(NC([O-])=NOCC(F)F)[nH]n1 ZINC000861381906 589162198 /nfs/dbraw/zinc/16/21/98/589162198.db2.gz CNFAKCMVAKIKQK-UHFFFAOYSA-N -1 3 236.178 0.737 20 0 BCADHM COc1cc(NC(=O)[N-]OCC(F)F)[nH]n1 ZINC000861381906 589162199 /nfs/dbraw/zinc/16/21/99/589162199.db2.gz CNFAKCMVAKIKQK-UHFFFAOYSA-N -1 3 236.178 0.737 20 0 BCADHM CC(C)O[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000861881433 589181713 /nfs/dbraw/zinc/18/17/13/589181713.db2.gz VZRNPQKAIQNPSM-UHFFFAOYSA-N -1 3 237.259 0.179 20 0 BCADHM Cc1cccc(C(=O)NC[C@@H]2COCO2)c1[O-] ZINC000861965145 589185366 /nfs/dbraw/zinc/18/53/66/589185366.db2.gz NNQMDCYFULKKRQ-SECBINFHSA-N -1 3 237.255 0.803 20 0 BCADHM Cc1cc(C(=O)NC[C@H]2COCO2)ccc1[O-] ZINC000861975890 589187785 /nfs/dbraw/zinc/18/77/85/589187785.db2.gz VFWCYRKOLNVUAD-JTQLQIEISA-N -1 3 237.255 0.803 20 0 BCADHM CCON(CC)C(=O)C[N-]C(=O)C(F)F ZINC000862615495 589229204 /nfs/dbraw/zinc/22/92/04/589229204.db2.gz FGRGFDQJRVMNRK-UHFFFAOYSA-N -1 3 224.207 0.168 20 0 BCADHM CCc1n[nH]cc1C(=O)[N-]N1CCOC1=O ZINC000862698200 589232998 /nfs/dbraw/zinc/23/29/98/589232998.db2.gz JHEQFDIDEJATNF-UHFFFAOYSA-N -1 3 224.220 0.069 20 0 BCADHM O=C(CSC(F)(F)F)[N-]N1CCOC1=O ZINC000862698507 589233494 /nfs/dbraw/zinc/23/34/94/589233494.db2.gz UYDXMIUKZHGVJW-UHFFFAOYSA-N -1 3 244.194 0.723 20 0 BCADHM Cc1cc(C(=O)NN2CCOC2=O)ccc1[O-] ZINC000862702745 589234549 /nfs/dbraw/zinc/23/45/49/589234549.db2.gz OJYOJEZLSNPSJD-UHFFFAOYSA-N -1 3 236.227 0.798 20 0 BCADHM Cn1ncc(Cl)c1C(=O)[N-]N1CCOC1=O ZINC000862704191 589235338 /nfs/dbraw/zinc/23/53/38/589235338.db2.gz AJAAKVQCVSFVAM-UHFFFAOYSA-N -1 3 244.638 0.171 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NC[C@H]1C[C@@H](O)C1 ZINC000863183833 589269501 /nfs/dbraw/zinc/26/95/01/589269501.db2.gz NUNWGIUQRIXGFX-GOHLFLMTSA-N -1 3 248.282 0.688 20 0 BCADHM O=C([O-])N1CCN(C2CCOCC2)CC1 ZINC000203805522 589276732 /nfs/dbraw/zinc/27/67/32/589276732.db2.gz JEAKVENLAYGUJX-UHFFFAOYSA-N -1 3 214.265 0.461 20 0 BCADHM CO[N-]C(=O)CC[C@@H](CC(C)C)C(=O)NOC ZINC000119399053 589276786 /nfs/dbraw/zinc/27/67/86/589276786.db2.gz VGTVTNRHPVFDGN-VIFPVBQESA-N -1 3 246.307 0.784 20 0 BCADHM O=C([N-]CC1COC1)C(F)(F)C(F)F ZINC000863353810 589282359 /nfs/dbraw/zinc/28/23/59/589282359.db2.gz MKYREGDDXWNCGO-UHFFFAOYSA-N -1 3 215.146 0.649 20 0 BCADHM CC(F)(F)C(=O)[N-][C@@H]1CCN(C2CCC2)C1=O ZINC000863526381 589296036 /nfs/dbraw/zinc/29/60/36/589296036.db2.gz WGONTJARVKJBKB-MRVPVSSYSA-N -1 3 246.257 0.911 20 0 BCADHM C[C@@]1(C(=O)[O-])CCN(c2ccnc(CO)c2)C1 ZINC000863732495 589313897 /nfs/dbraw/zinc/31/38/97/589313897.db2.gz XCOKCBYNOPVWAO-GFCCVEGCSA-N -1 3 236.271 0.875 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1cn[nH]c1 ZINC000863910194 589325664 /nfs/dbraw/zinc/32/56/64/589325664.db2.gz NPNTWHWHPVLDNU-UHFFFAOYSA-N -1 3 227.264 0.161 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H]1C(=O)NCC1(C)C ZINC000864073740 589339618 /nfs/dbraw/zinc/33/96/18/589339618.db2.gz XLJWTHPIWAVYON-LURJTMIESA-N -1 3 234.246 0.673 20 0 BCADHM Cn1ncc2cc(CNC3(C(=O)[O-])CC3)cnc21 ZINC000864504191 589374985 /nfs/dbraw/zinc/37/49/85/589374985.db2.gz QACHZBBZGUTXFA-UHFFFAOYSA-N -1 3 246.270 0.675 20 0 BCADHM CCO[N-]C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000864689640 589390259 /nfs/dbraw/zinc/39/02/59/589390259.db2.gz OPFBSNFIHZFCPV-QMMMGPOBSA-N -1 3 211.265 0.895 20 0 BCADHM CCO[N-]C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000864689635 589390269 /nfs/dbraw/zinc/39/02/69/589390269.db2.gz OPFBSNFIHZFCPV-MRVPVSSYSA-N -1 3 211.265 0.895 20 0 BCADHM CO[N-]C(=O)Cc1ccc(C(=O)OC)nc1 ZINC000864748472 589392532 /nfs/dbraw/zinc/39/25/32/589392532.db2.gz OCBODYGHDVZPLK-UHFFFAOYSA-N -1 3 224.216 0.088 20 0 BCADHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C(C)C ZINC000866368328 589488440 /nfs/dbraw/zinc/48/84/40/589488440.db2.gz ACZIVXGZQMLJKQ-GFCCVEGCSA-N -1 3 228.339 0.347 20 0 BCADHM COC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866385937 589489227 /nfs/dbraw/zinc/48/92/27/589489227.db2.gz TVUVLEKJKTYRTR-MRVPVSSYSA-N -1 3 245.304 0.098 20 0 BCADHM CS(C)(=O)=NS(=O)(=O)[N-]CC1CCC1 ZINC000866482530 589496114 /nfs/dbraw/zinc/49/61/14/589496114.db2.gz MQAACIUOIHAZCH-UHFFFAOYSA-N -1 3 240.350 0.349 20 0 BCADHM Cc1cccc(NC([O-])=NOCC(N)=O)c1C ZINC000121182551 589512313 /nfs/dbraw/zinc/51/23/13/589512313.db2.gz DQLVAINSGISDKG-UHFFFAOYSA-N -1 3 237.259 0.842 20 0 BCADHM Cc1cccc(NC(=O)[N-]OCC(N)=O)c1C ZINC000121182551 589512314 /nfs/dbraw/zinc/51/23/14/589512314.db2.gz DQLVAINSGISDKG-UHFFFAOYSA-N -1 3 237.259 0.842 20 0 BCADHM O=C(Cc1cccnc1Cl)[N-]OCCO ZINC000867496070 589522366 /nfs/dbraw/zinc/52/23/66/589522366.db2.gz YIQLLQVUIGHGLB-UHFFFAOYSA-N -1 3 230.651 0.318 20 0 BCADHM CSCCO[N-]C(=O)C1CSC1 ZINC000867925295 589540075 /nfs/dbraw/zinc/54/00/75/589540075.db2.gz CMAIQKKCGSKNAX-UHFFFAOYSA-N -1 3 207.320 0.760 20 0 BCADHM CCn1cnnc1[N-]C(=O)C1(F)CCOCC1 ZINC000868140356 589550506 /nfs/dbraw/zinc/55/05/06/589550506.db2.gz OEHLKGKRQDUNBE-UHFFFAOYSA-N -1 3 242.254 0.755 20 0 BCADHM CC(C)OCCO[N-]C(=O)C1C=NC(=O)N1C ZINC000868493860 589561028 /nfs/dbraw/zinc/56/10/28/589561028.db2.gz XRWAJOXKXSONAX-UHFFFAOYSA-N -1 3 243.263 0.212 20 0 BCADHM O=C(CCCCO)[N-]OCCC1CC1 ZINC000868554640 589562449 /nfs/dbraw/zinc/56/24/49/589562449.db2.gz UQEAKMNQCBCIGT-UHFFFAOYSA-N -1 3 201.266 0.997 20 0 BCADHM Cc1cnc(F)c(C(=O)[N-]OC(C)(C)CO)c1 ZINC000868660173 589570845 /nfs/dbraw/zinc/57/08/45/589570845.db2.gz MNVVBAIDEFNRAB-UHFFFAOYSA-N -1 3 242.250 0.961 20 0 BCADHM CSCC[C@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000122261648 589573503 /nfs/dbraw/zinc/57/35/03/589573503.db2.gz ZIQCWZKAKYYHOP-ZETCQYMHSA-N -1 3 249.361 0.830 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CCCCO ZINC000868726713 589574878 /nfs/dbraw/zinc/57/48/78/589574878.db2.gz LLRUZVVKTNIMNM-SECBINFHSA-N -1 3 219.281 0.214 20 0 BCADHM CC[C@H](NC(C)=O)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000868970464 589584293 /nfs/dbraw/zinc/58/42/93/589584293.db2.gz OUPVHEGXNRBUPL-XPUUQOCRSA-N -1 3 243.332 0.509 20 0 BCADHM CCc1cc(C(=O)N[C@H]2CCOC2=O)ccc1[O-] ZINC000869097813 589588830 /nfs/dbraw/zinc/58/88/30/589588830.db2.gz MQOAKLJUTBIIDE-JTQLQIEISA-N -1 3 249.266 1.000 20 0 BCADHM C[C@@H]1OCC[C@@H]1COC(=O)c1cnn[n-]1 ZINC000869517009 589611296 /nfs/dbraw/zinc/61/12/96/589611296.db2.gz DTLHIMDYLVSMOY-NKWVEPMBSA-N -1 3 211.221 0.387 20 0 BCADHM C[C@@H]1OCC[C@@H]1COC(=O)c1c[n-]nn1 ZINC000869517009 589611298 /nfs/dbraw/zinc/61/12/98/589611298.db2.gz DTLHIMDYLVSMOY-NKWVEPMBSA-N -1 3 211.221 0.387 20 0 BCADHM CCCCC(=O)COC(=O)c1cnn[n-]1 ZINC000869518893 589611859 /nfs/dbraw/zinc/61/18/59/589611859.db2.gz ZFETUCIHBYJQPK-UHFFFAOYSA-N -1 3 211.221 0.721 20 0 BCADHM CCCCC(=O)COC(=O)c1c[n-]nn1 ZINC000869518893 589611860 /nfs/dbraw/zinc/61/18/60/589611860.db2.gz ZFETUCIHBYJQPK-UHFFFAOYSA-N -1 3 211.221 0.721 20 0 BCADHM CC1([N-]C(=O)C(F)(F)C2(O)CCC2)COC1 ZINC000870664797 589681007 /nfs/dbraw/zinc/68/10/07/589681007.db2.gz ZCIMZMDQRSPOLN-UHFFFAOYSA-N -1 3 235.230 0.442 20 0 BCADHM CC1(NC(=O)/C=C\c2cncc([O-])c2)COC1 ZINC000870664532 589681012 /nfs/dbraw/zinc/68/10/12/589681012.db2.gz RNRHTLVZRZFVFC-IHWYPQMZSA-N -1 3 234.255 0.706 20 0 BCADHM CC[S@@](=O)CCNCc1nc(C)ccc1[O-] ZINC000123701178 589771694 /nfs/dbraw/zinc/77/16/94/589771694.db2.gz MCGZCOVLTRVKOG-INIZCTEOSA-N -1 3 242.344 0.954 20 0 BCADHM CC1(C)CO[C@@H](CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000871601577 589773550 /nfs/dbraw/zinc/77/35/50/589773550.db2.gz BHTXLLVFFSYYNL-MRVPVSSYSA-N -1 3 247.302 0.953 20 0 BCADHM Cc1oc(=O)n(Cc2nc(N(C)C)no2)c1[O-] ZINC000871782186 589817177 /nfs/dbraw/zinc/81/71/77/589817177.db2.gz XKNRAPQAUCCORC-RXMQYKEDSA-N -1 3 240.219 0.003 20 0 BCADHM Cc1[n-]n(C2=N[C@@H]3CCCC[C@H]3N2)c(=O)c1F ZINC000871964062 589846813 /nfs/dbraw/zinc/84/68/13/589846813.db2.gz VXHVBCOLZZBJCE-HLTSFMKQSA-N -1 3 238.266 0.813 20 0 BCADHM Cc1[n-]n(CCCn2ccnc2)c(=O)c1F ZINC000871963717 589847102 /nfs/dbraw/zinc/84/71/02/589847102.db2.gz PZANUZICYITFIS-VIFPVBQESA-N -1 3 224.239 0.829 20 0 BCADHM CC(=O)c1cc(=O)n(C2=N[C@@H]3CCCC[C@H]3N2)[n-]1 ZINC000871962836 589847277 /nfs/dbraw/zinc/84/72/77/589847277.db2.gz IXNQPLSEBGEYJE-RKDXNWHRSA-N -1 3 248.286 0.434 20 0 BCADHM C[C@H](N[C@@H]1COC[C@@H]1O)c1cccc([O-])c1F ZINC000872092033 589868304 /nfs/dbraw/zinc/86/83/04/589868304.db2.gz MHSYIIMLHCEVQP-NMLBEHRDSA-N -1 3 241.262 0.942 20 0 BCADHM O=c1[n-]nc(Cl)cc1N1CCC[C@H](O)C1 ZINC000872386954 589930075 /nfs/dbraw/zinc/93/00/75/589930075.db2.gz AFJZHGHKJJGCAY-LURJTMIESA-N -1 3 229.667 0.797 20 0 BCADHM O=c1[n-]nc(Cl)cc1NCCCO ZINC000872387550 589930647 /nfs/dbraw/zinc/93/06/47/589930647.db2.gz SHBHHUOKVGXTAM-UHFFFAOYSA-N -1 3 203.629 0.630 20 0 BCADHM CCNC(=O)[C@@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872395667 589932532 /nfs/dbraw/zinc/93/25/32/589932532.db2.gz XVRVTPSYDNDMPO-RXMQYKEDSA-N -1 3 244.682 0.772 20 0 BCADHM CCNC(=O)CN(C)c1cc(Cl)n[n-]c1=O ZINC000872415430 589936849 /nfs/dbraw/zinc/93/68/49/589936849.db2.gz HDZGMEJNTVGCNZ-UHFFFAOYSA-N -1 3 244.682 0.408 20 0 BCADHM CNC(=O)CCCNc1cc(Cl)n[n-]c1=O ZINC000872415923 589937103 /nfs/dbraw/zinc/93/71/03/589937103.db2.gz PWPTWWYDBWKRJM-UHFFFAOYSA-N -1 3 244.682 0.774 20 0 BCADHM C[C@@H]1CN(c2cc(Cl)n[n-]c2=O)C[C@@H]1O ZINC000872499840 589944796 /nfs/dbraw/zinc/94/47/96/589944796.db2.gz DTJWEKZMLFWXSN-VDTYLAMSSA-N -1 3 229.667 0.653 20 0 BCADHM COC[C@@H](CO)[N-]c1nnc(C(C)C)o1 ZINC000872533572 589947734 /nfs/dbraw/zinc/94/77/34/589947734.db2.gz SAWDPJVNUSNTDR-SSDOTTSWSA-N -1 3 215.253 0.612 20 0 BCADHM C[C@@H]1CN(c2cc(Cl)n[n-]c2=O)CC(=O)N1 ZINC000872559696 589951009 /nfs/dbraw/zinc/95/10/09/589951009.db2.gz BJJQNSQVABAAIG-RXMQYKEDSA-N -1 3 242.666 0.160 20 0 BCADHM COC(=O)NCCNc1cc(Cl)n[n-]c1=O ZINC000872565840 589952060 /nfs/dbraw/zinc/95/20/60/589952060.db2.gz WUGHXTLUSRWEGQ-UHFFFAOYSA-N -1 3 246.654 0.604 20 0 BCADHM CON1CCN(c2cc(Cl)n[n-]c2=O)CC1 ZINC000872566690 589952140 /nfs/dbraw/zinc/95/21/40/589952140.db2.gz TUBODATYHPRKKK-UHFFFAOYSA-N -1 3 244.682 0.519 20 0 BCADHM CO[C@@H]1COC[C@@H]1Nc1cc(Cl)n[n-]c1=O ZINC000872569816 589952611 /nfs/dbraw/zinc/95/26/11/589952611.db2.gz BUQZIJSUSYHFCX-NKWVEPMBSA-N -1 3 245.666 0.661 20 0 BCADHM O=c1[n-]nc(Cl)cc1NC[C@H]1COCO1 ZINC000872570335 589952657 /nfs/dbraw/zinc/95/26/57/589952657.db2.gz VWEPJDKXNZDWRU-YFKPBYRVSA-N -1 3 231.639 0.620 20 0 BCADHM O=C(N[C@H]1CCOC1=O)c1cccc([O-])c1 ZINC000019836676 589990341 /nfs/dbraw/zinc/99/03/41/589990341.db2.gz VKUWTWGBWXURHM-VIFPVBQESA-N -1 3 221.212 0.438 20 0 BCADHM C[C@H](C(=O)[N-]C1=NCCS1)N(C)C ZINC000873837630 590073764 /nfs/dbraw/zinc/07/37/64/590073764.db2.gz BCIHSEHGCZGPSH-ZCFIWIBFSA-N -1 3 201.295 0.156 20 0 BCADHM Cn1cc(C(=O)N[C@@H]2CC23CCC3)c(=O)[n-]c1=O ZINC000874789163 590136791 /nfs/dbraw/zinc/13/67/91/590136791.db2.gz YZECLDKHJQRUAA-MRVPVSSYSA-N -1 3 249.270 0.158 20 0 BCADHM CCn1ncc(NC(=O)c2cc(=O)[n-]cn2)c1C ZINC000874813556 590139623 /nfs/dbraw/zinc/13/96/23/590139623.db2.gz RATDIQCTAOTKLY-UHFFFAOYSA-N -1 3 247.258 0.959 20 0 BCADHM [O-]C(=NOC[C@@H]1CCOC1)Nc1ncccn1 ZINC000888695348 590185304 /nfs/dbraw/zinc/18/53/04/590185304.db2.gz XSRPZPNLUCTFCD-MRVPVSSYSA-N -1 3 238.247 0.566 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)Nc1ncccn1 ZINC000888695348 590185306 /nfs/dbraw/zinc/18/53/06/590185306.db2.gz XSRPZPNLUCTFCD-MRVPVSSYSA-N -1 3 238.247 0.566 20 0 BCADHM CN(CCC(=O)[O-])CCn1ccccc1=O ZINC000126360343 590287678 /nfs/dbraw/zinc/28/76/78/590287678.db2.gz GLMPUICJANEVEM-UHFFFAOYSA-N -1 3 224.260 0.255 20 0 BCADHM O=C(Nc1ncccc1[O-])c1ccc[n+]([O-])c1 ZINC000022024061 590298481 /nfs/dbraw/zinc/29/84/81/590298481.db2.gz VSLCNSXQRGWHHL-UHFFFAOYSA-N -1 3 231.211 0.673 20 0 BCADHM CCO[N-]C(=O)CN[C@H](C)Cc1cnccn1 ZINC000877613873 590373595 /nfs/dbraw/zinc/37/35/95/590373595.db2.gz RTPWYTKOPCFFPH-SECBINFHSA-N -1 3 238.291 0.065 20 0 BCADHM O=C(C[C@H]1CCNC1=O)Nc1ncccc1[O-] ZINC000877980053 590465085 /nfs/dbraw/zinc/46/50/85/590465085.db2.gz GUKGTAGVNSCNRL-SSDOTTSWSA-N -1 3 235.243 0.252 20 0 BCADHM CC[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCC(N)=O ZINC000879380848 590758299 /nfs/dbraw/zinc/75/82/99/590758299.db2.gz ZJDNWYNPVYTKBS-LDYMZIIASA-N -1 3 228.292 0.736 20 0 BCADHM NC(=O)[N-]C(=O)OCCCN1CCCCCO1 ZINC000879509636 590784800 /nfs/dbraw/zinc/78/48/00/590784800.db2.gz BBMDLXFZCWTQMB-UHFFFAOYSA-N -1 3 245.279 0.599 20 0 BCADHM CCn1cc(CN(CC(=O)[O-])C2CC2)cn1 ZINC000050541170 604755886 /nfs/dbraw/zinc/75/58/86/604755886.db2.gz FKPJACJCBCRQHC-UHFFFAOYSA-N -1 3 223.276 0.952 20 0 BCADHM CCCN(CCO)c1ccc(-c2nnn[n-]2)cn1 ZINC000095289704 598933247 /nfs/dbraw/zinc/93/32/47/598933247.db2.gz RXSNUFRKVUILFN-UHFFFAOYSA-N -1 3 248.290 0.470 20 0 BCADHM CCCN(CCO)c1ccc(-c2nn[n-]n2)cn1 ZINC000095289704 598933248 /nfs/dbraw/zinc/93/32/48/598933248.db2.gz RXSNUFRKVUILFN-UHFFFAOYSA-N -1 3 248.290 0.470 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000880163903 590947616 /nfs/dbraw/zinc/94/76/16/590947616.db2.gz SBMMGUZKGUTWAJ-GARJFASQSA-N -1 3 242.319 0.411 20 0 BCADHM Cc1ncc(CC(=O)[N-]OCCN(C)C)o1 ZINC000880163618 590947866 /nfs/dbraw/zinc/94/78/66/590947866.db2.gz NAFGPIIOHGOUQB-UHFFFAOYSA-N -1 3 227.264 0.135 20 0 BCADHM COC(=O)CCCO[N-]C(=O)/C=C/SC ZINC000888816427 591049123 /nfs/dbraw/zinc/04/91/23/591049123.db2.gz KSXYRMUPQAVRKA-FNORWQNLSA-N -1 3 233.289 0.864 20 0 BCADHM CN1CCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000211441040 591172847 /nfs/dbraw/zinc/17/28/47/591172847.db2.gz CMENFYXTRLSIQI-UHFFFAOYSA-N -1 3 235.287 0.362 20 0 BCADHM C/C(=C\CN1CCC(OCCO)CC1)C(=O)[O-] ZINC000129071080 591228923 /nfs/dbraw/zinc/22/89/23/591228923.db2.gz LJXKISVFESZVHL-WTDSWWLTSA-N -1 3 243.303 0.491 20 0 BCADHM C=C/C=C/CCNC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000881563948 591239095 /nfs/dbraw/zinc/23/90/95/591239095.db2.gz QMORDWXQCVSIBQ-SNAWJCMRSA-N -1 3 249.270 0.348 20 0 BCADHM COC(=O)[C@@H]([N-]S(=O)(=O)C1CCC1)C1CC1 ZINC000881958150 591284152 /nfs/dbraw/zinc/28/41/52/591284152.db2.gz CMFBGKBWSDHOOO-VIFPVBQESA-N -1 3 247.316 0.410 20 0 BCADHM CCc1nn(C)cc1S(=O)(=O)[N-]CCCF ZINC000881998049 591287016 /nfs/dbraw/zinc/28/70/16/591287016.db2.gz AKVCTYDTDPXULJ-UHFFFAOYSA-N -1 3 249.311 0.620 20 0 BCADHM Cc1ncnc(N(C)C[C@H](C)c2nnn[n-]2)c1C ZINC000882181800 591312148 /nfs/dbraw/zinc/31/21/48/591312148.db2.gz KSUIYDJBGLAFRG-ZETCQYMHSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1ncnc(N(C)C[C@H](C)c2nn[n-]n2)c1C ZINC000882181800 591312150 /nfs/dbraw/zinc/31/21/50/591312150.db2.gz KSUIYDJBGLAFRG-ZETCQYMHSA-N -1 3 247.306 0.846 20 0 BCADHM CC(C)[C@H](O)CCSCCc1nnn[n-]1 ZINC000882190666 591313203 /nfs/dbraw/zinc/31/32/03/591313203.db2.gz LOPFZRXKEJYUQY-MRVPVSSYSA-N -1 3 230.337 0.882 20 0 BCADHM CC(C)[C@H](O)CCSCCc1nn[n-]n1 ZINC000882190666 591313205 /nfs/dbraw/zinc/31/32/05/591313205.db2.gz LOPFZRXKEJYUQY-MRVPVSSYSA-N -1 3 230.337 0.882 20 0 BCADHM CC(=O)OCCCCSCCc1nnn[n-]1 ZINC000882186731 591313320 /nfs/dbraw/zinc/31/33/20/591313320.db2.gz GQXLUUMNPDKCRD-UHFFFAOYSA-N -1 3 244.320 0.819 20 0 BCADHM CC(=O)OCCCCSCCc1nn[n-]n1 ZINC000882186731 591313323 /nfs/dbraw/zinc/31/33/23/591313323.db2.gz GQXLUUMNPDKCRD-UHFFFAOYSA-N -1 3 244.320 0.819 20 0 BCADHM O=C1CC[C@H](CSCCc2nnn[n-]2)O1 ZINC000882191023 591314507 /nfs/dbraw/zinc/31/45/07/591314507.db2.gz URCSRULMTAQELH-ZCFIWIBFSA-N -1 3 228.277 0.181 20 0 BCADHM O=C1CC[C@H](CSCCc2nn[n-]n2)O1 ZINC000882191023 591314510 /nfs/dbraw/zinc/31/45/10/591314510.db2.gz URCSRULMTAQELH-ZCFIWIBFSA-N -1 3 228.277 0.181 20 0 BCADHM C(Cc1nnn[n-]1)S[C@H]1CCSC1 ZINC000882190966 591314635 /nfs/dbraw/zinc/31/46/35/591314635.db2.gz SGMOGNNNCUPRRV-LURJTMIESA-N -1 3 216.335 0.981 20 0 BCADHM C(Cc1nn[n-]n1)S[C@H]1CCSC1 ZINC000882190966 591314636 /nfs/dbraw/zinc/31/46/36/591314636.db2.gz SGMOGNNNCUPRRV-LURJTMIESA-N -1 3 216.335 0.981 20 0 BCADHM Cc1cccc(NC(=O)Cn2c([O-])coc2=O)c1 ZINC000882272514 591323875 /nfs/dbraw/zinc/32/38/75/591323875.db2.gz QXUZFSDGAHCHFG-UHFFFAOYSA-N -1 3 248.238 0.912 20 0 BCADHM Cc1cc(C(=O)Cn2c([O-])coc2=O)c(C)[nH]1 ZINC000882273623 591324044 /nfs/dbraw/zinc/32/40/44/591324044.db2.gz RNLNSMRUBRGWQT-UHFFFAOYSA-N -1 3 236.227 0.793 20 0 BCADHM CNC(=O)c1cccc(Cn2c([O-])coc2=O)c1 ZINC000882275588 591324465 /nfs/dbraw/zinc/32/44/65/591324465.db2.gz LTWIYXKLHZFBAN-UHFFFAOYSA-N -1 3 248.238 0.525 20 0 BCADHM CC(C)COC(=O)N(C)Cn1c([O-])coc1=O ZINC000882276589 591324576 /nfs/dbraw/zinc/32/45/76/591324576.db2.gz MEZQNXOWDIUNPD-UHFFFAOYSA-N -1 3 244.247 0.647 20 0 BCADHM O=C(Cn1c([O-])coc1=O)OCc1ccccc1 ZINC000882275753 591324712 /nfs/dbraw/zinc/32/47/12/591324712.db2.gz RSHCCMCWIZQIIA-UHFFFAOYSA-N -1 3 249.222 0.709 20 0 BCADHM C=C/C=C/CC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000882586803 591395648 /nfs/dbraw/zinc/39/56/48/591395648.db2.gz RTIHAJZLNUGXLD-SNAWJCMRSA-N -1 3 241.316 0.831 20 0 BCADHM Cn1cc(Cl)c([N-]S(=O)(=O)C2CC2)n1 ZINC000882797236 591441666 /nfs/dbraw/zinc/44/16/66/591441666.db2.gz DBDLFSKKIVOWLQ-UHFFFAOYSA-N -1 3 235.696 0.978 20 0 BCADHM CO[C@H]1C[C@H](CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000882798581 591442238 /nfs/dbraw/zinc/44/22/38/591442238.db2.gz UFTDQVIYDRHEHV-ZKCHVHJHSA-N -1 3 233.275 0.563 20 0 BCADHM CC[C@@H](N)C(=O)[N-]O[C@H]1CCCCO1 ZINC000130249166 591451147 /nfs/dbraw/zinc/45/11/47/591451147.db2.gz SSJPMNPEBSBDJW-SFYZADRCSA-N -1 3 202.254 0.298 20 0 BCADHM CC[C@@H](CCO)Nc1ncccc1-c1nnn[n-]1 ZINC000095162730 598973665 /nfs/dbraw/zinc/97/36/65/598973665.db2.gz LKRUCGJMASCHLW-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@@H](CCO)Nc1ncccc1-c1nn[n-]n1 ZINC000095162730 598973666 /nfs/dbraw/zinc/97/36/66/598973666.db2.gz LKRUCGJMASCHLW-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CCCCCS(=O)(=O)[N-][C@H]1CCOC1=O ZINC000028388063 591705651 /nfs/dbraw/zinc/70/56/51/591705651.db2.gz NLUZYZHJZKPTKC-QMMMGPOBSA-N -1 3 235.305 0.412 20 0 BCADHM COCCCO[N-]C(=O)c1cn(C)nc1OC ZINC000883970058 591785833 /nfs/dbraw/zinc/78/58/33/591785833.db2.gz DYZPXLRLASBNAL-UHFFFAOYSA-N -1 3 243.263 0.127 20 0 BCADHM COc1nn(C)cc1C(=O)[N-]c1conc1C ZINC000883972466 591786392 /nfs/dbraw/zinc/78/63/92/591786392.db2.gz KTEFQESMEJUOGS-UHFFFAOYSA-N -1 3 236.231 0.977 20 0 BCADHM CC[C@@H](OC(=O)c1cccc2nn[n-]c21)C(N)=O ZINC000800208527 591839690 /nfs/dbraw/zinc/83/96/90/591839690.db2.gz KAQQCPMCGNBLAF-MRVPVSSYSA-N -1 3 248.242 0.379 20 0 BCADHM CC[C@@H](OC(=O)c1cccc2[n-]nnc21)C(N)=O ZINC000800208527 591839692 /nfs/dbraw/zinc/83/96/92/591839692.db2.gz KAQQCPMCGNBLAF-MRVPVSSYSA-N -1 3 248.242 0.379 20 0 BCADHM CC[C@@H](OC(=O)c1cccc2n[n-]nc21)C(N)=O ZINC000800208527 591839694 /nfs/dbraw/zinc/83/96/94/591839694.db2.gz KAQQCPMCGNBLAF-MRVPVSSYSA-N -1 3 248.242 0.379 20 0 BCADHM COCCO[N-]C(=O)Cc1ccsc1 ZINC000133741915 591852694 /nfs/dbraw/zinc/85/26/94/591852694.db2.gz TWRRBNFQLRCYSC-UHFFFAOYSA-N -1 3 215.274 0.985 20 0 BCADHM CC[C@H](N)C(=O)[N-]OCC(F)(F)F ZINC000133822674 591861902 /nfs/dbraw/zinc/86/19/02/591861902.db2.gz LTPXUNZFPPHESL-BYPYZUCNSA-N -1 3 200.160 0.334 20 0 BCADHM N[C@@H](CC1CC1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000884175327 591866587 /nfs/dbraw/zinc/86/65/87/591866587.db2.gz PRCWHIBSNXTUPW-UWVGGRQHSA-N -1 3 228.292 0.688 20 0 BCADHM O=C(OC[C@@H]1C[C@]12CCOC2)c1cnn[n-]1 ZINC000884507658 591960039 /nfs/dbraw/zinc/96/00/39/591960039.db2.gz JJGDGQYWGPQLSJ-XVKPBYJWSA-N -1 3 223.232 0.388 20 0 BCADHM O=C(OC[C@@H]1C[C@]12CCOC2)c1c[n-]nn1 ZINC000884507658 591960041 /nfs/dbraw/zinc/96/00/41/591960041.db2.gz JJGDGQYWGPQLSJ-XVKPBYJWSA-N -1 3 223.232 0.388 20 0 BCADHM O=C(OC[C@@H]1CC[C@@H](C2CC2)O1)c1cnn[n-]1 ZINC000884507392 591960059 /nfs/dbraw/zinc/96/00/59/591960059.db2.gz BPRHADPIQIQEAZ-WPRPVWTQSA-N -1 3 237.259 0.919 20 0 BCADHM O=C(OC[C@@H]1CC[C@@H](C2CC2)O1)c1c[n-]nn1 ZINC000884507392 591960061 /nfs/dbraw/zinc/96/00/61/591960061.db2.gz BPRHADPIQIQEAZ-WPRPVWTQSA-N -1 3 237.259 0.919 20 0 BCADHM COCCO[N-]C(=O)CC[C@@H]1CCCO1 ZINC000135134283 591991789 /nfs/dbraw/zinc/99/17/89/591991789.db2.gz ZBMSXPOIVJDXMW-VIFPVBQESA-N -1 3 217.265 0.640 20 0 BCADHM COCCONC(=O)c1cc(OC)ccc1[O-] ZINC000135146352 591992302 /nfs/dbraw/zinc/99/23/02/591992302.db2.gz GDOCKOYELCZDNU-UHFFFAOYSA-N -1 3 241.243 0.709 20 0 BCADHM O=C([N-]OC1CCCC1)[C@H]1CCC(=O)NC1 ZINC000135352860 592008533 /nfs/dbraw/zinc/00/85/33/592008533.db2.gz VSTZEWVISZDYNZ-QMMMGPOBSA-N -1 3 226.276 0.503 20 0 BCADHM C[C@@H]1C(=O)CCCN1C(=O)Cc1cncc([O-])c1 ZINC000885056816 592041806 /nfs/dbraw/zinc/04/18/06/592041806.db2.gz ULEODHMOVBJXIB-SECBINFHSA-N -1 3 248.282 0.910 20 0 BCADHM C[C@@H]1C(=O)CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000885061158 592042920 /nfs/dbraw/zinc/04/29/20/592042920.db2.gz BHCWMHYGMLFTBS-SSDOTTSWSA-N -1 3 235.243 0.376 20 0 BCADHM COc1cccc(NC([O-])=NOCC(N)=O)c1 ZINC000135738993 592043568 /nfs/dbraw/zinc/04/35/68/592043568.db2.gz XWTGIVPZYZZDPU-UHFFFAOYSA-N -1 3 239.231 0.234 20 0 BCADHM COc1cccc(NC(=O)[N-]OCC(N)=O)c1 ZINC000135738993 592043569 /nfs/dbraw/zinc/04/35/69/592043569.db2.gz XWTGIVPZYZZDPU-UHFFFAOYSA-N -1 3 239.231 0.234 20 0 BCADHM O=S(=O)([N-]C(CF)CF)c1ccoc1 ZINC000885413303 592076372 /nfs/dbraw/zinc/07/63/72/592076372.db2.gz HJPAPLDZWMTLKY-UHFFFAOYSA-N -1 3 225.216 0.866 20 0 BCADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)CF)cn1C ZINC000885413705 592076852 /nfs/dbraw/zinc/07/68/52/592076852.db2.gz GTAQUFJRWQUCRB-LURJTMIESA-N -1 3 235.284 0.365 20 0 BCADHM COCC[C@H](C)S(=O)(=O)[N-]C(CF)CF ZINC000885416291 592077322 /nfs/dbraw/zinc/07/73/22/592077322.db2.gz CHSKOOXWKFIFEM-ZETCQYMHSA-N -1 3 245.291 0.638 20 0 BCADHM COCC[C@@H](C)S(=O)(=O)[N-]C(CF)CF ZINC000885416290 592077346 /nfs/dbraw/zinc/07/73/46/592077346.db2.gz CHSKOOXWKFIFEM-SSDOTTSWSA-N -1 3 245.291 0.638 20 0 BCADHM COC[C@H](C)CS(=O)(=O)[N-]C(CF)CF ZINC000885416314 592077460 /nfs/dbraw/zinc/07/74/60/592077460.db2.gz DJGGFWVVSLEYPW-ZETCQYMHSA-N -1 3 245.291 0.496 20 0 BCADHM CCO[N-]C(=O)CNCc1[nH]nc(C)c1C ZINC000886154073 592164704 /nfs/dbraw/zinc/16/47/04/592164704.db2.gz YJDONPKJUKWNFW-UHFFFAOYSA-N -1 3 226.280 0.184 20 0 BCADHM CCO[N-]C(=O)CNCc1n[nH]c(C)c1C ZINC000886154073 592164707 /nfs/dbraw/zinc/16/47/07/592164707.db2.gz YJDONPKJUKWNFW-UHFFFAOYSA-N -1 3 226.280 0.184 20 0 BCADHM CCn1cc(C(=O)NCc2cncc([O-])c2)nn1 ZINC000886271721 592192682 /nfs/dbraw/zinc/19/26/82/592192682.db2.gz TUGLJTLHHTZYBO-UHFFFAOYSA-N -1 3 247.258 0.329 20 0 BCADHM Cc1ncc(CC(=O)NCc2cncc([O-])c2)o1 ZINC000886272752 592192749 /nfs/dbraw/zinc/19/27/49/592192749.db2.gz BAUXUHSLPZXPNC-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM CO[C@@H]1C[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886271773 592192946 /nfs/dbraw/zinc/19/29/46/592192946.db2.gz VLPWNQHJTXAGFF-NXEZZACHSA-N -1 3 222.244 0.438 20 0 BCADHM CC[C@@H](C(=O)NCc1cncc([O-])c1)N(C)C ZINC000886273139 592193274 /nfs/dbraw/zinc/19/32/74/592193274.db2.gz NFJLFAYIZREEKZ-NSHDSACASA-N -1 3 237.303 0.744 20 0 BCADHM Cc1cncn1CC(=O)NCc1cncc([O-])c1 ZINC000886272945 592193523 /nfs/dbraw/zinc/19/35/23/592193523.db2.gz HWOSHGCCCFCLIU-UHFFFAOYSA-N -1 3 246.270 0.609 20 0 BCADHM CC(C)(C)[C@@H](O)C(=O)NCc1cncc([O-])c1 ZINC000886277876 592196322 /nfs/dbraw/zinc/19/63/22/592196322.db2.gz FUXSGYQPXXLGEO-JTQLQIEISA-N -1 3 238.287 0.810 20 0 BCADHM O=C(NCc1cncc([O-])c1)C1=CCOCC1 ZINC000886276257 592196672 /nfs/dbraw/zinc/19/66/72/592196672.db2.gz BKTPFWVEFCSALB-UHFFFAOYSA-N -1 3 234.255 0.750 20 0 BCADHM CCn1ccnc1C(=O)NCc1cncc([O-])c1 ZINC000886276440 592196682 /nfs/dbraw/zinc/19/66/82/592196682.db2.gz JFGPKIFNDCYQNB-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM C[C@]1(C(=O)NCc2cncc([O-])c2)CCOC1 ZINC000886276353 592196724 /nfs/dbraw/zinc/19/67/24/592196724.db2.gz GBZXJXAESFKBSI-LBPRGKRZSA-N -1 3 236.271 0.830 20 0 BCADHM C[C@@]1(C(=O)NCc2cncc([O-])c2)CCCO1 ZINC000886278368 592197351 /nfs/dbraw/zinc/19/73/51/592197351.db2.gz XGDYCNIMFZWESP-LBPRGKRZSA-N -1 3 236.271 0.973 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@@H]1CCCO1 ZINC000886278234 592197645 /nfs/dbraw/zinc/19/76/45/592197645.db2.gz RXONZZNFIUWZNL-JTQLQIEISA-N -1 3 222.244 0.582 20 0 BCADHM C[C@@H](C(=O)NCc1cncc([O-])c1)n1cccn1 ZINC000886279712 592198389 /nfs/dbraw/zinc/19/83/89/592198389.db2.gz IEAYKCAFTFJZCB-VIFPVBQESA-N -1 3 246.270 0.861 20 0 BCADHM O=C(NCc1cncc([O-])c1)C1CCOCC1 ZINC000886283112 592199103 /nfs/dbraw/zinc/19/91/03/592199103.db2.gz IIVAULNGYNQXHH-UHFFFAOYSA-N -1 3 236.271 0.830 20 0 BCADHM O=C(COCC1CC1)NCc1cncc([O-])c1 ZINC000886281865 592199512 /nfs/dbraw/zinc/19/95/12/592199512.db2.gz NMCVHFWWZCUEFP-UHFFFAOYSA-N -1 3 236.271 0.830 20 0 BCADHM CCO[C@@H](C)C(=O)NCc1cncc([O-])c1 ZINC000886281863 592199473 /nfs/dbraw/zinc/19/94/73/592199473.db2.gz NIHPUDUJNMQNME-QMMMGPOBSA-N -1 3 224.260 0.828 20 0 BCADHM O=c1cc(CN2C[C@@H]3C[C@@H]3C2)nc2cc[n-]n21 ZINC000886345388 592212858 /nfs/dbraw/zinc/21/28/58/592212858.db2.gz YUFALBXLDJSEJU-DTORHVGOSA-N -1 3 230.271 0.474 20 0 BCADHM Cn1ncc2c1nc(CN1C[C@@H]3C[C@@H]3C1)[n-]c2=O ZINC000886345104 592212970 /nfs/dbraw/zinc/21/29/70/592212970.db2.gz RVVSMSBVWNJGEB-OCAPTIKFSA-N -1 3 245.286 0.521 20 0 BCADHM C[C@H](C(=O)NC1CC1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000219519580 592225589 /nfs/dbraw/zinc/22/55/89/592225589.db2.gz VDOGWBBZXSGVOS-RKDXNWHRSA-N -1 3 240.303 0.450 20 0 BCADHM CCC1(CC)CNC(=O)[C@@H]1[N-]C(=O)C(F)F ZINC000886717246 592310521 /nfs/dbraw/zinc/31/05/21/592310521.db2.gz VMNURMRROJDZMI-LURJTMIESA-N -1 3 234.246 0.673 20 0 BCADHM O=C(NCC1(C2(O)CCC2)CC1)c1c[n-]nn1 ZINC000887526700 592517904 /nfs/dbraw/zinc/51/79/04/592517904.db2.gz MZLCCEXQQFSTRS-UHFFFAOYSA-N -1 3 236.275 0.230 20 0 BCADHM O=C(NCC1(C2(O)CCC2)CC1)c1cnn[n-]1 ZINC000887526700 592517906 /nfs/dbraw/zinc/51/79/06/592517906.db2.gz MZLCCEXQQFSTRS-UHFFFAOYSA-N -1 3 236.275 0.230 20 0 BCADHM O=C(NCC1(C2(O)CCC2)CC1)c1cn[n-]n1 ZINC000887526700 592517908 /nfs/dbraw/zinc/51/79/08/592517908.db2.gz MZLCCEXQQFSTRS-UHFFFAOYSA-N -1 3 236.275 0.230 20 0 BCADHM CO[C@]1(C(=O)[N-]c2nncn2C)CCSC1 ZINC000889964827 592664846 /nfs/dbraw/zinc/66/48/46/592664846.db2.gz JHJBKEYKHPNELW-SECBINFHSA-N -1 3 242.304 0.276 20 0 BCADHM CC(C)N(C)CC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000738834123 602525548 /nfs/dbraw/zinc/52/55/48/602525548.db2.gz ITJSFVKPFYAZJI-VIFPVBQESA-N -1 3 245.323 0.441 20 0 BCADHM CS/C=C\C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000390369927 596923895 /nfs/dbraw/zinc/92/38/95/596923895.db2.gz VIPVGNIIAQZRIU-DAXSKMNVSA-N -1 3 246.332 0.338 20 0 BCADHM CN1CCC[C@@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000082246899 596929056 /nfs/dbraw/zinc/92/90/56/596929056.db2.gz SKJZSMYQNWANAO-SNVBAGLBSA-N -1 3 240.303 0.404 20 0 BCADHM CCN(CC)C(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000037933175 597001437 /nfs/dbraw/zinc/00/14/37/597001437.db2.gz GNVRCDQNEFYOGJ-SECBINFHSA-N -1 3 230.308 0.650 20 0 BCADHM Cn1ccnc1CNC1(C(=O)[O-])CCCC1 ZINC000685982272 597079872 /nfs/dbraw/zinc/07/98/72/597079872.db2.gz PURSMAUOFYUOMS-UHFFFAOYSA-N -1 3 223.276 0.907 20 0 BCADHM O=C([O-])C[C@H]1CCCN([C@@H]2CCNC2=O)C1 ZINC000691598672 597274955 /nfs/dbraw/zinc/27/49/55/597274955.db2.gz BPFRFDYHSCMAAT-RKDXNWHRSA-N -1 3 226.276 0.062 20 0 BCADHM O=C([O-])C[C@@H]1CCCN([C@H]2CCNC2=O)C1 ZINC000691598671 597275055 /nfs/dbraw/zinc/27/50/55/597275055.db2.gz BPFRFDYHSCMAAT-IUCAKERBSA-N -1 3 226.276 0.062 20 0 BCADHM C[C@H]1OCCN(CCCC(=O)[O-])[C@@H]1C ZINC000308539966 597789402 /nfs/dbraw/zinc/78/94/02/597789402.db2.gz UJNXLYHSLLGQNR-RKDXNWHRSA-N -1 3 201.266 0.960 20 0 BCADHM CN(CCCCC(=O)[O-])[C@H]1CCNC1=O ZINC000719389271 597801376 /nfs/dbraw/zinc/80/13/76/597801376.db2.gz OHQRSZLLKUNYNP-QMMMGPOBSA-N -1 3 214.265 0.062 20 0 BCADHM CCC[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])N(C)C ZINC000820304455 598146213 /nfs/dbraw/zinc/14/62/13/598146213.db2.gz TZOASPSSMBRXNQ-DTWKUNHWSA-N -1 3 230.308 0.648 20 0 BCADHM CC(C)[C@@H](NCc1nncn1C)C(=O)[O-] ZINC000150224885 598188099 /nfs/dbraw/zinc/18/80/99/598188099.db2.gz ZSWPFJUEXQANFP-MRVPVSSYSA-N -1 3 212.253 0.014 20 0 BCADHM O=C([O-])c1cccc(CN[C@H]2CCCNC2=O)c1 ZINC000236486966 598192564 /nfs/dbraw/zinc/19/25/64/598192564.db2.gz PRSCFGZYGOTFAP-NSHDSACASA-N -1 3 248.282 0.753 20 0 BCADHM O=C([O-])C1CCN(CC2OCCO2)CC1 ZINC000738545262 598198101 /nfs/dbraw/zinc/19/81/01/598198101.db2.gz ZBRJPTXSPWMJJM-UHFFFAOYSA-N -1 3 215.249 0.156 20 0 BCADHM CC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000095131200 598548470 /nfs/dbraw/zinc/54/84/70/598548470.db2.gz YGEVXUMPYBJQTE-UHFFFAOYSA-N -1 3 236.206 0.974 20 0 BCADHM CC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000095131200 598548472 /nfs/dbraw/zinc/54/84/72/598548472.db2.gz YGEVXUMPYBJQTE-UHFFFAOYSA-N -1 3 236.206 0.974 20 0 BCADHM CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000231468511 598659824 /nfs/dbraw/zinc/65/98/24/598659824.db2.gz QMGOUJVDLHOWIG-UHFFFAOYSA-N -1 3 204.193 0.220 20 0 BCADHM CC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000231468511 598659826 /nfs/dbraw/zinc/65/98/26/598659826.db2.gz QMGOUJVDLHOWIG-UHFFFAOYSA-N -1 3 204.193 0.220 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCN(c2cccnn2)CC1 ZINC000052815596 599753430 /nfs/dbraw/zinc/75/34/30/599753430.db2.gz IWWZCIHRDSYUHD-VIFPVBQESA-N -1 3 236.275 0.072 20 0 BCADHM CC(C)N(CCCS(C)(=O)=O)CC(=O)[O-] ZINC000063016082 599962089 /nfs/dbraw/zinc/96/20/89/599962089.db2.gz QZBYWGAULOSSOL-UHFFFAOYSA-N -1 3 237.321 0.216 20 0 BCADHM CCCN(C)CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000393740608 600101557 /nfs/dbraw/zinc/10/15/57/600101557.db2.gz GOOIYGDWICDFKN-VIFPVBQESA-N -1 3 228.292 0.261 20 0 BCADHM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCC2)C1 ZINC000035297121 600131074 /nfs/dbraw/zinc/13/10/74/600131074.db2.gz BTYWWHUJFDNPMZ-SECBINFHSA-N -1 3 226.276 0.015 20 0 BCADHM O=C([O-])c1cccc(CN2CC[C@H](O)C2)c1 ZINC000061710730 600218707 /nfs/dbraw/zinc/21/87/07/600218707.db2.gz FKSWURYWOHATEO-NSHDSACASA-N -1 3 221.256 0.951 20 0 BCADHM CN(C)C(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000041794472 600318742 /nfs/dbraw/zinc/31/87/42/600318742.db2.gz LFZRZAHIPGCRLJ-UHFFFAOYSA-N -1 3 228.292 0.452 20 0 BCADHM C[C@H](CN(C)[C@H](C)C(=O)NC(C)(C)C)C(=O)[O-] ZINC000251100277 600367889 /nfs/dbraw/zinc/36/78/89/600367889.db2.gz MSWMBBUBJRYENC-RKDXNWHRSA-N -1 3 244.335 0.942 20 0 BCADHM O=C([O-])[C@@H]1CN(CC2CCOCC2)CCO1 ZINC000052174536 600540017 /nfs/dbraw/zinc/54/00/17/600540017.db2.gz HRKCHDTZSAPWDC-JTQLQIEISA-N -1 3 229.276 0.198 20 0 BCADHM CN(Cc1ccco1)C[C@](C)(O)C(=O)[O-] ZINC000070714217 600760311 /nfs/dbraw/zinc/76/03/11/600760311.db2.gz KQIRNLPULZHQJZ-JTQLQIEISA-N -1 3 213.233 0.547 20 0 BCADHM C/C(=C\CN(C)CCn1cccn1)C(=O)[O-] ZINC000707476186 601166504 /nfs/dbraw/zinc/16/65/04/601166504.db2.gz YYRLMACNXHJKIF-ONNFQVAWSA-N -1 3 223.276 0.846 20 0 BCADHM O=C([O-])C[C@@H]1CN(CC2CCOCC2)CCO1 ZINC000091295871 601452957 /nfs/dbraw/zinc/45/29/57/601452957.db2.gz FTOIGFXQCAYNET-LLVKDONJSA-N -1 3 243.303 0.589 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H]1C ZINC000381204683 601538087 /nfs/dbraw/zinc/53/80/87/601538087.db2.gz FXCOHHYZWFWDPO-JGVFFNPUSA-N -1 3 214.265 0.060 20 0 BCADHM CCN(CCO)Cc1ccc(C(=O)[O-])o1 ZINC000011798042 601581441 /nfs/dbraw/zinc/58/14/41/601581441.db2.gz MUNHDLSHJMFKKV-UHFFFAOYSA-N -1 3 213.233 0.792 20 0 BCADHM COc1ccc(CN2CC[C@H](C(=O)[O-])C2)cn1 ZINC000158633407 601593104 /nfs/dbraw/zinc/59/31/04/601593104.db2.gz SZBQINYVUHFYRN-JTQLQIEISA-N -1 3 236.271 0.997 20 0 BCADHM COc1ccc(CN(C)CCC(=O)[O-])cn1 ZINC000166895261 601598203 /nfs/dbraw/zinc/59/82/03/601598203.db2.gz DHNSIUOJAVOFTM-UHFFFAOYSA-N -1 3 224.260 0.997 20 0 BCADHM COC(=O)c1ccc(CN[C@@H](C)C(=O)[O-])o1 ZINC000049358027 601799936 /nfs/dbraw/zinc/79/99/36/601799936.db2.gz OEAMBFLGUGVQOB-LURJTMIESA-N -1 3 227.216 0.629 20 0 BCADHM COCC[C@@H](C)N1CCO[C@H](C(=O)[O-])C1 ZINC000083415295 601822460 /nfs/dbraw/zinc/82/24/60/601822460.db2.gz QSXLUDHNNYTTLU-BDAKNGLRSA-N -1 3 217.265 0.197 20 0 BCADHM CN(C)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000050926126 601842994 /nfs/dbraw/zinc/84/29/94/601842994.db2.gz AWOMVXOJWVYNIP-UHFFFAOYSA-N -1 3 242.319 0.651 20 0 BCADHM COCC[C@H](C)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000227572609 601841520 /nfs/dbraw/zinc/84/15/20/601841520.db2.gz KYUUJUBDNLORPR-UWVGGRQHSA-N -1 3 231.292 0.587 20 0 BCADHM CCCCNC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000062935172 601914723 /nfs/dbraw/zinc/91/47/23/601914723.db2.gz AVTLANZUYSUVFE-LBPRGKRZSA-N -1 3 242.319 0.699 20 0 BCADHM CC[C@@H](C)NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000062936190 601930731 /nfs/dbraw/zinc/93/07/31/601930731.db2.gz KFQKJVOBYLFWBZ-BXKDBHETSA-N -1 3 242.319 0.698 20 0 BCADHM O=C([O-])NCC[NH2+]Cc1ccccc1[O-] ZINC000142604110 602055145 /nfs/dbraw/zinc/05/51/45/602055145.db2.gz SMGQKNAYACVIER-UHFFFAOYSA-N -1 3 210.233 0.749 20 0 BCADHM O=C([O-])N1CCC[C@@H](CNCc2cc[nH]n2)C1 ZINC000740511051 602055658 /nfs/dbraw/zinc/05/56/58/602055658.db2.gz CREXYEAKPVSETC-VIFPVBQESA-N -1 3 238.291 0.889 20 0 BCADHM Cc1n[nH]c(C)c1CNCCNC(=O)[O-] ZINC000740202192 602056204 /nfs/dbraw/zinc/05/62/04/602056204.db2.gz CWCMFRLUSJLXLA-UHFFFAOYSA-N -1 3 212.253 0.384 20 0 BCADHM CCN1CCC[C@H](NC(=O)CN(C)C(=O)[O-])C1 ZINC000739453603 602193537 /nfs/dbraw/zinc/19/35/37/602193537.db2.gz GSXURSCNPPDPRX-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CC[C@@H](C(=O)NCCCCC(=O)[O-])N(C)C ZINC000820261150 602147179 /nfs/dbraw/zinc/14/71/79/602147179.db2.gz DYMACGDIPVMKDR-VIFPVBQESA-N -1 3 230.308 0.698 20 0 BCADHM C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)[O-] ZINC000032025498 602248944 /nfs/dbraw/zinc/24/89/44/602248944.db2.gz ZLDDRZYQBHVEMH-ZJUUUORDSA-N -1 3 242.319 0.840 20 0 BCADHM O=C([O-])N1CCCN(CCCCO)CC1 ZINC000738643584 602281901 /nfs/dbraw/zinc/28/19/01/602281901.db2.gz BRYNVAJUIHDEMB-UHFFFAOYSA-N -1 3 216.281 0.445 20 0 BCADHM Cc1cc(N[C@H]2CCN(C(=O)[O-])C2)nc(N)n1 ZINC000740091042 602491209 /nfs/dbraw/zinc/49/12/09/602491209.db2.gz JVRBTMIHLZSVGE-ZETCQYMHSA-N -1 3 237.263 0.531 20 0 BCADHM CCN1CCCN(C(=O)[C@H](C)NC(=O)[O-])CC1 ZINC000739456682 602501605 /nfs/dbraw/zinc/50/16/05/602501605.db2.gz XXSPIDAEBQOKCC-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000739406854 602537292 /nfs/dbraw/zinc/53/72/92/602537292.db2.gz HUTIYXOADZTCAS-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM C[C@@H](CNC(=O)[O-])N(C)CCN1CCCC1=O ZINC000738940512 602559984 /nfs/dbraw/zinc/55/99/84/602559984.db2.gz JYFAPXYYTANJIB-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM Cn1cncc1CNC[C@H]1CCCN1C(=O)[O-] ZINC000740296478 602593927 /nfs/dbraw/zinc/59/39/27/602593927.db2.gz WLUMZWDOTFUUDN-SECBINFHSA-N -1 3 238.291 0.652 20 0 BCADHM O=C([O-])N1CCC[C@@H]1CNCc1cn[nH]c1 ZINC000740520603 602594619 /nfs/dbraw/zinc/59/46/19/602594619.db2.gz LMTAKGLSMMYEBK-SECBINFHSA-N -1 3 224.264 0.642 20 0 BCADHM O=C([O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000739935837 602669945 /nfs/dbraw/zinc/66/99/45/602669945.db2.gz CCXDJQXGKOKGGB-HTQZYQBOSA-N -1 3 200.238 0.117 20 0 BCADHM C[C@H](CCNCc1ncc[nH]1)NC(=O)[O-] ZINC000738902094 602680534 /nfs/dbraw/zinc/68/05/34/602680534.db2.gz ACDDNRCDSBXBST-SSDOTTSWSA-N -1 3 212.253 0.546 20 0 BCADHM CN1CCN(C[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000739737659 602701644 /nfs/dbraw/zinc/70/16/44/602701644.db2.gz OUODBDOLPBXIRI-LLVKDONJSA-N -1 3 241.335 0.624 20 0 BCADHM CNC(=O)CCN1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739740348 602826492 /nfs/dbraw/zinc/82/64/92/602826492.db2.gz KVASLRWLUBOARS-DTORHVGOSA-N -1 3 243.307 0.195 20 0 BCADHM C[C@@](CO)(NCCNC(=O)[O-])c1ccccc1 ZINC000738940845 602929228 /nfs/dbraw/zinc/92/92/28/602929228.db2.gz REZBUVKKAHYBOO-LBPRGKRZSA-N -1 3 238.287 0.751 20 0 BCADHM Cn1cc(CN[C@@H]2CCN(C(=O)[O-])C2)cn1 ZINC000740288097 602876349 /nfs/dbraw/zinc/87/63/49/602876349.db2.gz BMDGPLZOCOOACX-SECBINFHSA-N -1 3 224.264 0.262 20 0 BCADHM CCn1ccnc1CNCCCN(C)C(=O)[O-] ZINC000739569638 602881008 /nfs/dbraw/zinc/88/10/08/602881008.db2.gz DKJHGOPPJIHMCI-UHFFFAOYSA-N -1 3 240.307 0.993 20 0 BCADHM Cc1cc(N(C)CCCNC(=O)[O-])nc(N)n1 ZINC000740076861 603245560 /nfs/dbraw/zinc/24/55/60/603245560.db2.gz FXMVVWBFEDFGDD-UHFFFAOYSA-N -1 3 239.279 0.461 20 0 BCADHM CCN(CC(=O)N1CCCN(C)CC1)C(=O)[O-] ZINC000739390342 603421421 /nfs/dbraw/zinc/42/14/21/603421421.db2.gz NTJFDRHCOWXTNI-UHFFFAOYSA-N -1 3 243.307 0.150 20 0 BCADHM C[C@@]1(C(=O)[O-])CCN(Cc2cncnc2)C1 ZINC000394100987 604673664 /nfs/dbraw/zinc/67/36/64/604673664.db2.gz CCCGYUVPTOVBMB-LLVKDONJSA-N -1 3 221.260 0.773 20 0 BCADHM C[C@@H]1C[C@H](O)CN1Cc1occc1C(=O)[O-] ZINC000385017627 604936177 /nfs/dbraw/zinc/93/61/77/604936177.db2.gz UDTOELMIBRFAQT-SFYZADRCSA-N -1 3 225.244 0.933 20 0 BCADHM CC(C)[C@@H](C(=O)NC1CN(C(=O)[O-])C1)N(C)C ZINC000738768732 605614686 /nfs/dbraw/zinc/61/46/86/605614686.db2.gz YAYGPJZEZURFJE-VIFPVBQESA-N -1 3 243.307 0.051 20 0 BCADHM Cc1nn(C)cc1CNCC(C)(C)NC(=O)[O-] ZINC000833920306 606074926 /nfs/dbraw/zinc/07/49/26/606074926.db2.gz XDBQBGPSVAQVOE-UHFFFAOYSA-N -1 3 240.307 0.864 20 0 BCADHM C[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820628979 606243627 /nfs/dbraw/zinc/24/36/27/606243627.db2.gz ROTAQFTUOZPUAH-NSHDSACASA-N -1 3 246.274 0.223 20 0 BCADHM C[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820628979 606243628 /nfs/dbraw/zinc/24/36/28/606243628.db2.gz ROTAQFTUOZPUAH-NSHDSACASA-N -1 3 246.274 0.223 20 0 BCADHM C[C@H]1C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000095159946 606285151 /nfs/dbraw/zinc/28/51/51/606285151.db2.gz CPGFHPTVUYRJAU-XPUUQOCRSA-N -1 3 246.274 0.343 20 0 BCADHM C[C@H]1C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000095159946 606285152 /nfs/dbraw/zinc/28/51/52/606285152.db2.gz CPGFHPTVUYRJAU-XPUUQOCRSA-N -1 3 246.274 0.343 20 0 BCADHM CNC(=O)CNc1cccc(-c2nnn[n-]2)c1 ZINC000095315444 606321041 /nfs/dbraw/zinc/32/10/41/606321041.db2.gz WJLQGFOZXUNVBW-UHFFFAOYSA-N -1 3 232.247 0.025 20 0 BCADHM CNC(=O)CNc1cccc(-c2nn[n-]n2)c1 ZINC000095315444 606321043 /nfs/dbraw/zinc/32/10/43/606321043.db2.gz WJLQGFOZXUNVBW-UHFFFAOYSA-N -1 3 232.247 0.025 20 0 BCADHM O=C(NCC(F)F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823166191 606477568 /nfs/dbraw/zinc/47/75/68/606477568.db2.gz GYJAUSVJXDADLU-UHFFFAOYSA-N -1 3 242.189 0.190 20 0 BCADHM O=C(NCC(F)F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823166191 606477569 /nfs/dbraw/zinc/47/75/69/606477569.db2.gz GYJAUSVJXDADLU-UHFFFAOYSA-N -1 3 242.189 0.190 20 0 BCADHM C[C@@H](CO)COc1cccc(-c2nnn[n-]2)c1 ZINC000824440635 608260066 /nfs/dbraw/zinc/26/00/66/608260066.db2.gz HPAGHGSAAHYBLJ-QMMMGPOBSA-N -1 3 234.259 0.874 20 0 BCADHM C[C@@H](CO)COc1cccc(-c2nn[n-]n2)c1 ZINC000824440635 608260068 /nfs/dbraw/zinc/26/00/68/608260068.db2.gz HPAGHGSAAHYBLJ-QMMMGPOBSA-N -1 3 234.259 0.874 20 0 BCADHM C[C@H](O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000095244951 608551851 /nfs/dbraw/zinc/55/18/51/608551851.db2.gz ILRYKNSCXNYTCI-ZETCQYMHSA-N -1 3 219.248 0.659 20 0 BCADHM Cn1cnc(CCNc2cc(=O)[n-]cn2)c1 ZINC000313465867 634463197 /nfs/dbraw/zinc/46/31/97/634463197.db2.gz DUMKFGGSVYSLPC-UHFFFAOYSA-N -1 3 219.248 0.570 20 0 BCADHM C[C@H](Nc1cc(=O)[n-]cn1)c1ncnn1C ZINC000893433878 634467860 /nfs/dbraw/zinc/46/78/60/634467860.db2.gz NQGPESIYLHDGQT-LURJTMIESA-N -1 3 220.236 0.484 20 0 BCADHM COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000095189985 635432832 /nfs/dbraw/zinc/43/28/32/635432832.db2.gz DVVZJZMHTYOKCS-QMMMGPOBSA-N -1 3 234.215 0.073 20 0 BCADHM COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000095189985 635432840 /nfs/dbraw/zinc/43/28/40/635432840.db2.gz DVVZJZMHTYOKCS-QMMMGPOBSA-N -1 3 234.215 0.073 20 0 BCADHM CC(=O)NCCN(C)c1cc(=O)[n-]c(C)n1 ZINC000308297999 631271341 /nfs/dbraw/zinc/27/13/41/631271341.db2.gz KSCVCCCWYOBCIP-UHFFFAOYSA-N -1 3 224.264 0.063 20 0 BCADHM Cc1nnsc1CNC(C)(C)C(=O)[O-] ZINC000308574426 631339510 /nfs/dbraw/zinc/33/95/10/631339510.db2.gz LXLXCHQTXYYKPX-UHFFFAOYSA-N -1 3 215.278 0.799 20 0 BCADHM O=C([N-]CCCc1nc[nH]n1)C(F)(F)F ZINC000080571890 631382256 /nfs/dbraw/zinc/38/22/56/631382256.db2.gz RMLPZPXZSSSGBT-UHFFFAOYSA-N -1 3 222.170 0.416 20 0 BCADHM CNC(=O)[C@H](C)CN(C)c1cc(=O)[n-]c(C)n1 ZINC000234389855 631502686 /nfs/dbraw/zinc/50/26/86/631502686.db2.gz DHWMSAKSCASDMF-SSDOTTSWSA-N -1 3 238.291 0.309 20 0 BCADHM COCCCCCNc1cc(=O)[n-]cn1 ZINC000234636112 631654635 /nfs/dbraw/zinc/65/46/35/631654635.db2.gz SQVVXMXXPOGBJM-UHFFFAOYSA-N -1 3 211.265 0.999 20 0 BCADHM O=c1cc(N[C@@H](CO)[C@H]2CCCOC2)nc[n-]1 ZINC000894203173 635746775 /nfs/dbraw/zinc/74/67/75/635746775.db2.gz DEIMYSNDBCIVDH-IUCAKERBSA-N -1 3 239.275 0.382 20 0 BCADHM C[C@@H](O)C1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000235333325 632674092 /nfs/dbraw/zinc/67/40/92/632674092.db2.gz XNQPJSRGAXIIHA-MRVPVSSYSA-N -1 3 223.276 0.367 20 0 BCADHM COCCOCCN(C)c1cc(=O)[n-]c(C)n1 ZINC000310347270 632725848 /nfs/dbraw/zinc/72/58/48/632725848.db2.gz OIRFIPWTGBZKMI-UHFFFAOYSA-N -1 3 241.291 0.590 20 0 BCADHM CCOCCO[N-]C(=O)CC1(C)COC1 ZINC000935454902 632780663 /nfs/dbraw/zinc/78/06/63/632780663.db2.gz QQZHRWKTXLAPCR-UHFFFAOYSA-N -1 3 217.265 0.497 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2C[C@H]2C)[n-]1 ZINC000162052373 632865854 /nfs/dbraw/zinc/86/58/54/632865854.db2.gz BSNZSCZBKSTDGP-RITPCOANSA-N -1 3 210.237 0.798 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2C[C@H]2C)n[n-]1 ZINC000162052373 632865858 /nfs/dbraw/zinc/86/58/58/632865858.db2.gz BSNZSCZBKSTDGP-RITPCOANSA-N -1 3 210.237 0.798 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2C[C@H]2C)n1 ZINC000162052373 632865862 /nfs/dbraw/zinc/86/58/62/632865862.db2.gz BSNZSCZBKSTDGP-RITPCOANSA-N -1 3 210.237 0.798 20 0 BCADHM CCCCCNC(=O)CO[N-]C(C)=O ZINC000178195258 632986373 /nfs/dbraw/zinc/98/63/73/632986373.db2.gz IUAZZUKOIVMIFK-UHFFFAOYSA-N -1 3 202.254 0.361 20 0 BCADHM C/C(=C\C(=O)[N-]OCC(N)=O)c1ccccc1 ZINC000180374572 633018668 /nfs/dbraw/zinc/01/86/68/633018668.db2.gz WSVMCAIDVSHZAZ-VQHVLOKHSA-N -1 3 234.255 0.623 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CCCO2)[n-]1 ZINC000162062478 633020329 /nfs/dbraw/zinc/02/03/29/633020329.db2.gz BXYIMWUFAAFDAB-LURJTMIESA-N -1 3 226.236 0.321 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CCCO2)n[n-]1 ZINC000162062478 633020336 /nfs/dbraw/zinc/02/03/36/633020336.db2.gz BXYIMWUFAAFDAB-LURJTMIESA-N -1 3 226.236 0.321 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CCCO2)n1 ZINC000162062478 633020341 /nfs/dbraw/zinc/02/03/41/633020341.db2.gz BXYIMWUFAAFDAB-LURJTMIESA-N -1 3 226.236 0.321 20 0 BCADHM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1[O-] ZINC000928431621 635916870 /nfs/dbraw/zinc/91/68/70/635916870.db2.gz ADTSGWOGRNVIKO-JGVFFNPUSA-N -1 3 238.291 0.246 20 0 BCADHM Cc1cnc(C(=O)N[C@H]2CCN(C)[C@H]2C)c([O-])c1 ZINC000928434935 635929228 /nfs/dbraw/zinc/92/92/28/635929228.db2.gz FNGINMXMWHSHEJ-UWVGGRQHSA-N -1 3 249.314 0.918 20 0 BCADHM O=C(CCc1c[nH]cn1)[N-]OCC1CC1 ZINC000293808020 633236973 /nfs/dbraw/zinc/23/69/73/633236973.db2.gz QIQMGJVEYAMFTD-UHFFFAOYSA-N -1 3 209.249 0.800 20 0 BCADHM COCCO[N-]C(=O)CCCn1ccnc1C ZINC000748769292 635998728 /nfs/dbraw/zinc/99/87/28/635998728.db2.gz AFOAQOXQMIQTSF-UHFFFAOYSA-N -1 3 241.291 0.666 20 0 BCADHM CC[C@H](C(=O)N[C@H](CC1CC1)C(=O)[O-])N(C)C ZINC000909472935 636087499 /nfs/dbraw/zinc/08/74/99/636087499.db2.gz WCSXRECXHOWPGD-NXEZZACHSA-N -1 3 242.319 0.696 20 0 BCADHM CN1CC[C@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000928560703 636104906 /nfs/dbraw/zinc/10/49/06/636104906.db2.gz SQCKZBPNRISGOZ-VIFPVBQESA-N -1 3 238.262 0.965 20 0 BCADHM CN(C)CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000340217804 636116509 /nfs/dbraw/zinc/11/65/09/636116509.db2.gz HMHGYZDKMUQDDV-UHFFFAOYSA-N -1 3 244.298 0.999 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CCC2CC2)nn1 ZINC000866884698 633843789 /nfs/dbraw/zinc/84/37/89/633843789.db2.gz STXUBKKESAUEQI-UHFFFAOYSA-N -1 3 241.316 0.863 20 0 BCADHM COC(=O)/C(C)=C\CNc1cc(=O)[n-]cn1 ZINC000895514173 636154235 /nfs/dbraw/zinc/15/42/35/636154235.db2.gz SWNNCCVEWGPDGL-CLTKARDFSA-N -1 3 223.232 0.713 20 0 BCADHM CC[C@@]1(O)CCN(c2cc(=O)[n-]cn2)C1 ZINC000893278386 634046911 /nfs/dbraw/zinc/04/69/11/634046911.db2.gz DSBBXVHKJIJMAE-SNVBAGLBSA-N -1 3 209.249 0.533 20 0 BCADHM CC(C)(C)NC(=O)CCNc1cc(=O)[n-]cn1 ZINC000162779151 634355481 /nfs/dbraw/zinc/35/54/81/634355481.db2.gz DDYJSPZQGRMSQS-UHFFFAOYSA-N -1 3 238.291 0.487 20 0 BCADHM Cn1nnc(NC(=O)[N-]OCCC2CC2)n1 ZINC000932258026 635625018 /nfs/dbraw/zinc/62/50/18/635625018.db2.gz GGWHQNAHVINGBV-UHFFFAOYSA-N -1 3 226.240 0.063 20 0 BCADHM O=c1cc(NC[C@@H]2CCCNC2=O)nc[n-]1 ZINC000894171706 635737520 /nfs/dbraw/zinc/73/75/20/635737520.db2.gz KWACSDCHGVVCHN-ZETCQYMHSA-N -1 3 222.248 0.120 20 0 BCADHM Cc1nc(NC[C@@H](O)c2ccnn2C)cc(=O)[n-]1 ZINC000896626915 636207373 /nfs/dbraw/zinc/20/73/73/636207373.db2.gz CUBDGBYTXWRAIE-SECBINFHSA-N -1 3 249.274 0.370 20 0 BCADHM Cn1nccc1[C@H](O)CNc1cc(=O)[n-]cn1 ZINC000896627240 636207484 /nfs/dbraw/zinc/20/74/84/636207484.db2.gz HEVFRTBZASHJPY-MRVPVSSYSA-N -1 3 235.247 0.061 20 0 BCADHM COc1cccc([O-])c1C(=O)N1CC[C@@H]1CO ZINC000889156728 636691612 /nfs/dbraw/zinc/69/16/12/636691612.db2.gz DLKMSKIDGFXPPB-MRVPVSSYSA-N -1 3 237.255 0.608 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)CSCCc1nnn[n-]1 ZINC000901566336 637260763 /nfs/dbraw/zinc/26/07/63/637260763.db2.gz QCAPJWROZXVBNZ-RNFRBKRXSA-N -1 3 226.305 0.701 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)CSCCc1nn[n-]n1 ZINC000901566336 637260768 /nfs/dbraw/zinc/26/07/68/637260768.db2.gz QCAPJWROZXVBNZ-RNFRBKRXSA-N -1 3 226.305 0.701 20 0 BCADHM CCOC([O-])=NOCCO[C@H]1CCOC1 ZINC000902754543 637331257 /nfs/dbraw/zinc/33/12/57/637331257.db2.gz ABZRGRVZRKONPW-QMMMGPOBSA-N -1 3 219.237 0.470 20 0 BCADHM CCOC(=O)[N-]OCCO[C@H]1CCOC1 ZINC000902754543 637331258 /nfs/dbraw/zinc/33/12/58/637331258.db2.gz ABZRGRVZRKONPW-QMMMGPOBSA-N -1 3 219.237 0.470 20 0 BCADHM CCc1nnc(S(=O)(=O)CC=CCl)[n-]1 ZINC000905250802 637710151 /nfs/dbraw/zinc/71/01/51/637710151.db2.gz VFVWTPJBJKFKBK-ONEGZZNKSA-N -1 3 235.696 0.893 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CC=CCl)n1 ZINC000905250802 637710150 /nfs/dbraw/zinc/71/01/50/637710150.db2.gz VFVWTPJBJKFKBK-ONEGZZNKSA-N -1 3 235.696 0.893 20 0 BCADHM C[C@@H](O)CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000905373626 637790658 /nfs/dbraw/zinc/79/06/58/637790658.db2.gz ANGWGOJFJACATO-GMSGAONNSA-N -1 3 227.235 0.922 20 0 BCADHM O=C(CC1(O)CCOCC1)[N-]OC1CCCC1 ZINC000907220058 638325050 /nfs/dbraw/zinc/32/50/50/638325050.db2.gz DRWYUDDVPCNCNI-UHFFFAOYSA-N -1 3 243.303 0.908 20 0 BCADHM CCNC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000907370169 638365611 /nfs/dbraw/zinc/36/56/11/638365611.db2.gz CVAADMQKUCLFEW-UHFFFAOYSA-N -1 3 222.248 0.536 20 0 BCADHM COc1ncccc1S(=O)(=O)[N-][C@@H](C)CF ZINC000907397242 638373796 /nfs/dbraw/zinc/37/37/96/638373796.db2.gz QOZWKFXIOHLCSU-ZETCQYMHSA-N -1 3 248.279 0.727 20 0 BCADHM O=C([N-]OC1CCOCC1)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907477716 638386270 /nfs/dbraw/zinc/38/62/70/638386270.db2.gz RLWPZFPWSRMXRI-FBIMIBRVSA-N -1 3 239.271 0.438 20 0 BCADHM O=C(NCCF)c1cnc(C2CC2)[n-]c1=O ZINC000907950208 638519775 /nfs/dbraw/zinc/51/97/75/638519775.db2.gz PUWFMXPGMDLKJH-UHFFFAOYSA-N -1 3 225.223 0.759 20 0 BCADHM CCC[C@@H](NC(=O)C1(N(C)C)CCC1)C(=O)[O-] ZINC000908012020 638547660 /nfs/dbraw/zinc/54/76/60/638547660.db2.gz MOXACRRSYUOLTL-SECBINFHSA-N -1 3 242.319 0.840 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1(C2CC2)CC1 ZINC000908232647 638622094 /nfs/dbraw/zinc/62/20/94/638622094.db2.gz QIXBHQWXWXQODS-UHFFFAOYSA-N -1 3 249.314 0.949 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000908328447 638664995 /nfs/dbraw/zinc/66/49/95/638664995.db2.gz IOZJJXCGQPEVTR-FBIMIBRVSA-N -1 3 241.287 0.684 20 0 BCADHM Cc1[n-][nH]c(=O)c1NC(=O)CN(C)C1CCC1 ZINC000908371740 638671164 /nfs/dbraw/zinc/67/11/64/638671164.db2.gz OAQPJVVCWSTUMP-UHFFFAOYSA-N -1 3 238.291 0.847 20 0 BCADHM CS(C)(=O)=NS(=O)(=O)[N-]C/C=C\Cl ZINC000908452771 638741382 /nfs/dbraw/zinc/74/13/82/638741382.db2.gz NNCKQQVMTXGJSR-ARJAWSKDSA-N -1 3 246.741 0.301 20 0 BCADHM CCN(CC)CC(=O)N(CC)CCC(=O)[O-] ZINC000908857527 639086386 /nfs/dbraw/zinc/08/63/86/639086386.db2.gz BKEZEZVILURRMS-UHFFFAOYSA-N -1 3 230.308 0.651 20 0 BCADHM O=C([O-])CCN(C(=O)CN1CCCC1)C1CC1 ZINC000908873305 639089474 /nfs/dbraw/zinc/08/94/74/639089474.db2.gz LMONIXBLKYJYCV-UHFFFAOYSA-N -1 3 240.303 0.548 20 0 BCADHM CCN(CC(=O)[O-])C(=O)[C@H](C(C)C)N(C)C ZINC000908949643 639100166 /nfs/dbraw/zinc/10/01/66/639100166.db2.gz AIUKTGUHCYYRNB-JTQLQIEISA-N -1 3 230.308 0.506 20 0 BCADHM CC[C@H](C(=O)N[C@@](C)(CC)C(=O)[O-])N(C)C ZINC000908926447 639102842 /nfs/dbraw/zinc/10/28/42/639102842.db2.gz QDVPMBCSIUGCPA-KCJUWKMLSA-N -1 3 230.308 0.696 20 0 BCADHM CCN(CC)CC(=O)N[C@@](C)(CC)C(=O)[O-] ZINC000908927306 639102986 /nfs/dbraw/zinc/10/29/86/639102986.db2.gz HIRTWGSDBIKQHM-NSHDSACASA-N -1 3 230.308 0.698 20 0 BCADHM C[C@H](C(=O)[O-])N(C)C(=O)CN(C)C1CCC1 ZINC000908989477 639116051 /nfs/dbraw/zinc/11/60/51/639116051.db2.gz ZSQFNHQWWXMXIO-MRVPVSSYSA-N -1 3 228.292 0.402 20 0 BCADHM COCC(COC)OC(=O)c1cncc([O-])c1 ZINC000909001954 639119573 /nfs/dbraw/zinc/11/95/73/639119573.db2.gz AOAFCBFCLZBRTF-UHFFFAOYSA-N -1 3 241.243 0.605 20 0 BCADHM CC[C@@H](C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)N(C)C ZINC000909990644 639303127 /nfs/dbraw/zinc/30/31/27/639303127.db2.gz LPKBNMZIWPJNJT-AEJSXWLSSA-N -1 3 242.319 0.648 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000910223836 639388541 /nfs/dbraw/zinc/38/85/41/639388541.db2.gz GOFAVOJXZSIDEP-GUBZILKMSA-N -1 3 242.319 0.791 20 0 BCADHM C[C@@H](CN(C)c1ccncc1CO)C(=O)[O-] ZINC000910309221 639407601 /nfs/dbraw/zinc/40/76/01/639407601.db2.gz NSVTXNZRTNEUPE-QMMMGPOBSA-N -1 3 224.260 0.731 20 0 BCADHM C[C@H](CNc1ccncc1CO)CC(=O)[O-] ZINC000910316553 639412166 /nfs/dbraw/zinc/41/21/66/639412166.db2.gz SVASGXMDQZABOV-QMMMGPOBSA-N -1 3 224.260 0.519 20 0 BCADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ccncc1CO ZINC000910317997 639412273 /nfs/dbraw/zinc/41/22/73/639412273.db2.gz ZAWNFPFWHMBJQU-SCZZXKLOSA-N -1 3 236.271 0.873 20 0 BCADHM O=C([O-])[C@@H]1[C@@H]2CN(c3ccncc3CO)CC[C@@H]21 ZINC000910333190 639417152 /nfs/dbraw/zinc/41/71/52/639417152.db2.gz MPOQLFYIXKKNHM-UMNHJUIQSA-N -1 3 248.282 0.731 20 0 BCADHM COCCN(CC(=O)[O-])c1ccnc(CO)c1 ZINC000910401666 639430756 /nfs/dbraw/zinc/43/07/56/639430756.db2.gz HKNMEZQQVJZZGQ-UHFFFAOYSA-N -1 3 240.259 0.111 20 0 BCADHM Cc1[nH]ncc1CN(C)c1ncncc1C(=O)[O-] ZINC000910378297 639432323 /nfs/dbraw/zinc/43/23/23/639432323.db2.gz MSKUVMZHMIOQJW-UHFFFAOYSA-N -1 3 247.258 0.843 20 0 BCADHM O=C([O-])c1ccc(N2CCCCN2)nc1 ZINC000910385529 639434665 /nfs/dbraw/zinc/43/46/65/639434665.db2.gz FRSQFPRKDGPSFL-UHFFFAOYSA-N -1 3 207.233 0.885 20 0 BCADHM O=C([O-])C1(CNc2ccncc2CO)CCC1 ZINC000910428272 639445369 /nfs/dbraw/zinc/44/53/69/639445369.db2.gz RRIPHCHSVYAOPT-UHFFFAOYSA-N -1 3 236.271 0.663 20 0 BCADHM C[C@H](CCC(=O)[O-])Nc1ccncc1CO ZINC000910434256 639449343 /nfs/dbraw/zinc/44/93/43/639449343.db2.gz IZOGGGMLLIOCGO-MRVPVSSYSA-N -1 3 224.260 0.661 20 0 BCADHM O=C([O-])C1CC(Nc2ccncc2CO)C1 ZINC000910447606 639454190 /nfs/dbraw/zinc/45/41/90/639454190.db2.gz CVGWGFIVNXCIKX-UHFFFAOYSA-N -1 3 222.244 0.271 20 0 BCADHM CCC[C@@H](CNc1ccncc1CO)C(=O)[O-] ZINC000910466293 639460266 /nfs/dbraw/zinc/46/02/66/639460266.db2.gz SBKNBRFKCNLSEF-VIFPVBQESA-N -1 3 238.287 0.909 20 0 BCADHM CN(C)CCN(C)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000911152102 639586576 /nfs/dbraw/zinc/58/65/76/639586576.db2.gz WONXXAYWJAVDQZ-UHFFFAOYSA-N -1 3 240.303 0.261 20 0 BCADHM CCC[C@H](O)C(=O)Nc1n[n-]c(SC)n1 ZINC000931203036 640103707 /nfs/dbraw/zinc/10/37/07/640103707.db2.gz MSAIDJBHANOZSR-YFKPBYRVSA-N -1 3 230.293 0.626 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccn(C)n1)C2 ZINC000931312802 640148079 /nfs/dbraw/zinc/14/80/79/640148079.db2.gz ZFPVNTVACXCIKG-UHFFFAOYSA-N -1 3 245.286 0.740 20 0 BCADHM CO[C@H](C)CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931313431 640149489 /nfs/dbraw/zinc/14/94/89/640149489.db2.gz IPSUNVABXQADHR-SSDOTTSWSA-N -1 3 223.276 0.841 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CC(=O)N1CCC1)C2 ZINC000931322311 640155319 /nfs/dbraw/zinc/15/53/19/640155319.db2.gz ZRYZGWVTPGHGBN-UHFFFAOYSA-N -1 3 248.286 0.039 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CC(=O)NC1CC1)C2 ZINC000931319998 640156303 /nfs/dbraw/zinc/15/63/03/640156303.db2.gz IZYQGXGADOGTNE-UHFFFAOYSA-N -1 3 248.286 0.085 20 0 BCADHM NC(=O)CCC(=O)[N-]OCC1CCC1 ZINC000912724756 640181654 /nfs/dbraw/zinc/18/16/54/640181654.db2.gz QWVHVEIRULXVJF-UHFFFAOYSA-N -1 3 200.238 0.100 20 0 BCADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(N)=O ZINC000913298438 640347961 /nfs/dbraw/zinc/34/79/61/640347961.db2.gz LKRQFCXYJLSUTP-LURJTMIESA-N -1 3 249.226 0.700 20 0 BCADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(N)=O ZINC000913298438 640347964 /nfs/dbraw/zinc/34/79/64/640347964.db2.gz LKRQFCXYJLSUTP-LURJTMIESA-N -1 3 249.226 0.700 20 0 BCADHM Cc1nocc1C(=O)[N-]c1nnn(C(C)C)n1 ZINC000913483519 640374513 /nfs/dbraw/zinc/37/45/13/640374513.db2.gz BTXBLFOEGKVIQJ-UHFFFAOYSA-N -1 3 236.235 0.803 20 0 BCADHM O=C([N-]C1CN(Cc2cnsn2)C1)C(F)F ZINC001030038770 640527096 /nfs/dbraw/zinc/52/70/96/640527096.db2.gz VQWZJYZSUVEPGG-UHFFFAOYSA-N -1 3 248.258 0.104 20 0 BCADHM O=c1cc(NC[C@@H]2CCC[C@H]2O)nc[n-]1 ZINC000165293804 640555565 /nfs/dbraw/zinc/55/55/65/640555565.db2.gz YPHROESUAOXZFZ-JGVFFNPUSA-N -1 3 209.249 0.343 20 0 BCADHM CCCN(CCO)c1cc(=O)[n-]c(C)n1 ZINC000165397526 640570073 /nfs/dbraw/zinc/57/00/73/640570073.db2.gz HYTGLNQUDXUWQF-UHFFFAOYSA-N -1 3 211.265 0.699 20 0 BCADHM Cc1nc(N2CCO[C@H](C)C2)cc(=O)[n-]1 ZINC000165375659 640564611 /nfs/dbraw/zinc/56/46/11/640564611.db2.gz IWKXOPBNDRIMEW-SSDOTTSWSA-N -1 3 209.249 0.716 20 0 BCADHM CC(C)N1CCC[C@@H]1C(=O)Nc1nnn[n-]1 ZINC000933074681 640664782 /nfs/dbraw/zinc/66/47/82/640664782.db2.gz OOYHDKIGCJQARD-SSDOTTSWSA-N -1 3 224.268 0.011 20 0 BCADHM CC(C)N1CCC[C@@H]1C(=O)Nc1nn[n-]n1 ZINC000933074681 640664785 /nfs/dbraw/zinc/66/47/85/640664785.db2.gz OOYHDKIGCJQARD-SSDOTTSWSA-N -1 3 224.268 0.011 20 0 BCADHM COc1cc[n-]c(=NNC(=O)[C@H]2C[C@@H]2C)n1 ZINC000046363323 640739274 /nfs/dbraw/zinc/73/92/74/640739274.db2.gz PEGAAQPNYSVVEN-BQBZGAKWSA-N -1 3 222.248 0.584 20 0 BCADHM CCCOC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000046412363 640756136 /nfs/dbraw/zinc/75/61/36/640756136.db2.gz UPNVELGAEQYELQ-UHFFFAOYSA-N -1 3 224.260 0.882 20 0 BCADHM CC[S@](=O)CC[N-]C(=O)C(F)(F)C(F)F ZINC000226642810 640786639 /nfs/dbraw/zinc/78/66/39/640786639.db2.gz TYKIBGXLRZMDEQ-HNNXBMFYSA-N -1 3 249.229 0.772 20 0 BCADHM Cc1nc(N(CCO)C2CCC2)cc(=O)[n-]1 ZINC000228503861 640877576 /nfs/dbraw/zinc/87/75/76/640877576.db2.gz PCTBZDGURYKJMD-UHFFFAOYSA-N -1 3 223.276 0.842 20 0 BCADHM CN(CC(N)=O)Cc1ccc([O-])c(F)c1 ZINC000232449642 641274088 /nfs/dbraw/zinc/27/40/88/641274088.db2.gz KZEPZZNEYJSRBT-UHFFFAOYSA-N -1 3 212.224 0.448 20 0 BCADHM CCC1(CC(=O)Nc2nnc(OC)[n-]2)COC1 ZINC000935192620 641359610 /nfs/dbraw/zinc/35/96/10/641359610.db2.gz DSBBNVUBYULIFR-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCC1(CC(=O)Nc2n[n-]c(OC)n2)COC1 ZINC000935192620 641359616 /nfs/dbraw/zinc/35/96/16/641359616.db2.gz DSBBNVUBYULIFR-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCC1(CC(=O)Nc2nc(OC)n[n-]2)COC1 ZINC000935192620 641359622 /nfs/dbraw/zinc/35/96/22/641359622.db2.gz DSBBNVUBYULIFR-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CC[C@@](C)(O)C(=O)Nc1ncccc1[O-] ZINC000935337102 641389616 /nfs/dbraw/zinc/38/96/16/641389616.db2.gz STFIHHYHWLGMNQ-SNVBAGLBSA-N -1 3 210.233 0.887 20 0 BCADHM O=C(C[C@H]1CC[C@@H](C2CC2)O1)[N-]OCCO ZINC000935457486 641412617 /nfs/dbraw/zinc/41/26/17/641412617.db2.gz XNWBGHWQKDPASE-ZJUUUORDSA-N -1 3 229.276 0.374 20 0 BCADHM CCC1(CC(=O)[N-]OC[C@H]2CCOC2)COC1 ZINC000935593483 641428946 /nfs/dbraw/zinc/42/89/46/641428946.db2.gz JOYGRCAFXMLPFL-JTQLQIEISA-N -1 3 243.303 0.887 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1C(=O)[N-]OCCSC ZINC000935755554 641476374 /nfs/dbraw/zinc/47/63/74/641476374.db2.gz JSRQNFGKSCGFEQ-HTQZYQBOSA-N -1 3 247.316 0.596 20 0 BCADHM O=S(=O)(CC1(F)CC1)[N-]Cc1ccno1 ZINC000914334226 641642055 /nfs/dbraw/zinc/64/20/55/641642055.db2.gz NFFXZLWGGUXCCN-UHFFFAOYSA-N -1 3 234.252 0.596 20 0 BCADHM Cc1cc(C(N)=O)ccc1NC(=O)c1cnn[n-]1 ZINC000049345833 641715009 /nfs/dbraw/zinc/71/50/09/641715009.db2.gz GUOODEFNCYJPFT-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM Cc1cc(C(N)=O)ccc1NC(=O)c1c[n-]nn1 ZINC000049345833 641715012 /nfs/dbraw/zinc/71/50/12/641715012.db2.gz GUOODEFNCYJPFT-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM Cc1cc(C(N)=O)ccc1NC(=O)c1cn[n-]n1 ZINC000049345833 641715017 /nfs/dbraw/zinc/71/50/17/641715017.db2.gz GUOODEFNCYJPFT-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM CC(=O)CCCC(=O)[N-]OC[C@H]1CCOC1 ZINC000188330000 641754536 /nfs/dbraw/zinc/75/45/36/641754536.db2.gz HYZXMQDJOQBACR-JTQLQIEISA-N -1 3 229.276 0.830 20 0 BCADHM CC[C@@H](C(=O)[N-]OC[C@@H]1CCOC1)N(C)C ZINC000188337778 641754906 /nfs/dbraw/zinc/75/49/06/641754906.db2.gz ANVBYLSOSUCALV-ZJUUUORDSA-N -1 3 230.308 0.411 20 0 BCADHM COCCCCC(=O)[N-]OC[C@H]1CCOC1 ZINC000189239443 641795196 /nfs/dbraw/zinc/79/51/96/641795196.db2.gz VDQKKCZHFDIQLH-JTQLQIEISA-N -1 3 231.292 0.887 20 0 BCADHM CCOCCCC(=O)[N-]OC[C@H]1CCOC1 ZINC000189259667 641796589 /nfs/dbraw/zinc/79/65/89/641796589.db2.gz HETCZRQIAFDVQP-JTQLQIEISA-N -1 3 231.292 0.887 20 0 BCADHM CCOCCCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000189259642 641797368 /nfs/dbraw/zinc/79/73/68/641797368.db2.gz HETCZRQIAFDVQP-SNVBAGLBSA-N -1 3 231.292 0.887 20 0 BCADHM Cc1noc(COC(=O)c2cncc([O-])c2)n1 ZINC000731915338 641819165 /nfs/dbraw/zinc/81/91/65/641819165.db2.gz HHJSUHSMVPTGFL-UHFFFAOYSA-N -1 3 235.199 0.836 20 0 BCADHM CCCNC(=O)COC(=O)c1cncc([O-])c1 ZINC000731914859 641820419 /nfs/dbraw/zinc/82/04/19/641820419.db2.gz ARBIGVATNYSBOW-UHFFFAOYSA-N -1 3 238.243 0.470 20 0 BCADHM Cc1nc(C)c(CC(=O)OCCCO)c(=O)[n-]1 ZINC000915464893 641827110 /nfs/dbraw/zinc/82/71/10/641827110.db2.gz RETVKPUHAZAELB-UHFFFAOYSA-N -1 3 240.259 0.267 20 0 BCADHM Cc1nnc(Sc2c(C)[nH][n-]c2=O)s1 ZINC000915920993 641886529 /nfs/dbraw/zinc/88/65/29/641886529.db2.gz HCECVVOJEVCDGC-YFKPBYRVSA-N -1 3 228.302 0.813 20 0 BCADHM CCC(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000916477891 641939658 /nfs/dbraw/zinc/93/96/58/641939658.db2.gz KUAPQRUNCNPOHU-UHFFFAOYSA-N -1 3 241.268 0.958 20 0 BCADHM c1nnc(CSCCc2nnn[n-]2)s1 ZINC000917858355 642135678 /nfs/dbraw/zinc/13/56/78/642135678.db2.gz DPUSKRSGQUJJMB-UHFFFAOYSA-N -1 3 228.306 0.527 20 0 BCADHM c1nnc(CSCCc2nn[n-]n2)s1 ZINC000917858355 642135679 /nfs/dbraw/zinc/13/56/79/642135679.db2.gz DPUSKRSGQUJJMB-UHFFFAOYSA-N -1 3 228.306 0.527 20 0 BCADHM C[C@H](O)[C@H](C)SCCc1nnn[n-]1 ZINC000917858304 642135879 /nfs/dbraw/zinc/13/58/79/642135879.db2.gz BNJUFJDDUBEUOJ-WDSKDSINSA-N -1 3 202.283 0.245 20 0 BCADHM C[C@H](O)[C@H](C)SCCc1nn[n-]n1 ZINC000917858304 642135882 /nfs/dbraw/zinc/13/58/82/642135882.db2.gz BNJUFJDDUBEUOJ-WDSKDSINSA-N -1 3 202.283 0.245 20 0 BCADHM C(Cc1nnn[n-]1)SC[C@H]1C[C@]12CCOC2 ZINC000917859092 642136273 /nfs/dbraw/zinc/13/62/73/642136273.db2.gz NSMRBBKRDBNMDP-SCZZXKLOSA-N -1 3 240.332 0.902 20 0 BCADHM C(Cc1nn[n-]n1)SC[C@H]1C[C@]12CCOC2 ZINC000917859092 642136274 /nfs/dbraw/zinc/13/62/74/642136274.db2.gz NSMRBBKRDBNMDP-SCZZXKLOSA-N -1 3 240.332 0.902 20 0 BCADHM C(Cc1nnn[n-]1)SC[C@@H]1C[C@@]12CCOC2 ZINC000917859093 642137398 /nfs/dbraw/zinc/13/73/98/642137398.db2.gz NSMRBBKRDBNMDP-WCBMZHEXSA-N -1 3 240.332 0.902 20 0 BCADHM C(Cc1nn[n-]n1)SC[C@@H]1C[C@@]12CCOC2 ZINC000917859093 642137406 /nfs/dbraw/zinc/13/74/06/642137406.db2.gz NSMRBBKRDBNMDP-WCBMZHEXSA-N -1 3 240.332 0.902 20 0 BCADHM Cc1nc(C)c(CC(=O)N2CC[C@H]2C)c(=O)[n-]1 ZINC000920465777 642504905 /nfs/dbraw/zinc/50/49/05/642504905.db2.gz YSXIDECJURZZQE-SSDOTTSWSA-N -1 3 235.287 0.962 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C)o1 ZINC000921413879 642617882 /nfs/dbraw/zinc/61/78/82/642617882.db2.gz WSMCRPSAKNZRJM-VIFPVBQESA-N -1 3 244.316 0.570 20 0 BCADHM CCCCCNC(=O)[C@@H](C)O[N-]C(C)=O ZINC000180808190 642817205 /nfs/dbraw/zinc/81/72/05/642817205.db2.gz SYYGURKPKNHGJD-MRVPVSSYSA-N -1 3 216.281 0.749 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1COC[C@H]1C ZINC000921498534 642924765 /nfs/dbraw/zinc/92/47/65/642924765.db2.gz ILIQRMLPJQRGIN-HTRCEHHLSA-N -1 3 246.288 0.296 20 0 BCADHM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cscn1 ZINC000921498949 642959472 /nfs/dbraw/zinc/95/94/72/642959472.db2.gz PDIFHRTUQIPHQQ-RNFRBKRXSA-N -1 3 248.329 0.456 20 0 BCADHM COc1nnc(NC(=O)C[C@@H](C)OC)[n-]1 ZINC000182992121 643077005 /nfs/dbraw/zinc/07/70/05/643077005.db2.gz ZIAFPDIJWGOACM-RXMQYKEDSA-N -1 3 214.225 0.177 20 0 BCADHM COc1nc(NC(=O)C[C@@H](C)OC)n[n-]1 ZINC000182992121 643077016 /nfs/dbraw/zinc/07/70/16/643077016.db2.gz ZIAFPDIJWGOACM-RXMQYKEDSA-N -1 3 214.225 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@@H](C)OC)n1 ZINC000182992121 643077021 /nfs/dbraw/zinc/07/70/21/643077021.db2.gz ZIAFPDIJWGOACM-RXMQYKEDSA-N -1 3 214.225 0.177 20 0 BCADHM CCOCCO[N-]C(=O)CCc1nc(C)no1 ZINC000184795132 643237964 /nfs/dbraw/zinc/23/79/64/643237964.db2.gz WSXMIVOKDFDMTN-UHFFFAOYSA-N -1 3 243.263 0.395 20 0 BCADHM C[C@@H]1CN(c2cc(=O)[n-]cn2)CC[C@H]1O ZINC000253629425 643251102 /nfs/dbraw/zinc/25/11/02/643251102.db2.gz PMLSIKUEZSEOGA-HTQZYQBOSA-N -1 3 209.249 0.389 20 0 BCADHM Cn1nccc1CCC(=O)[N-]OC1CCC1 ZINC000812788848 643377394 /nfs/dbraw/zinc/37/73/94/643377394.db2.gz CJHAEEUXPZLOOF-UHFFFAOYSA-N -1 3 223.276 0.953 20 0 BCADHM COCCOC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000046415395 643572282 /nfs/dbraw/zinc/57/22/82/643572282.db2.gz WDLGCQTXYPDBEQ-UHFFFAOYSA-N -1 3 240.259 0.119 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C2CSC2)o1 ZINC000921869144 643812740 /nfs/dbraw/zinc/81/27/40/643812740.db2.gz YHTDFQIHJUAHHV-UHFFFAOYSA-N -1 3 233.314 0.982 20 0 BCADHM COc1cccc([O-])c1C(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000921906854 643823152 /nfs/dbraw/zinc/82/31/52/643823152.db2.gz XWHYCVADSQZKQG-AMIZOPFISA-N -1 3 249.266 0.608 20 0 BCADHM O=C(OCCc1ccns1)c1cnn[n-]1 ZINC000922732300 644082230 /nfs/dbraw/zinc/08/22/30/644082230.db2.gz WMGFSRBIQFZCIZ-UHFFFAOYSA-N -1 3 224.245 0.661 20 0 BCADHM O=C(OCCc1ccns1)c1c[n-]nn1 ZINC000922732300 644082235 /nfs/dbraw/zinc/08/22/35/644082235.db2.gz WMGFSRBIQFZCIZ-UHFFFAOYSA-N -1 3 224.245 0.661 20 0 BCADHM CO[N-]C(=O)CNCc1c(C2CC2)cnn1C ZINC000922827149 644102771 /nfs/dbraw/zinc/10/27/71/644102771.db2.gz GPJLDWGSWHVJOZ-UHFFFAOYSA-N -1 3 238.291 0.065 20 0 BCADHM CO[N-]C(=O)CNCc1ccnn1CC1CC1 ZINC000922828595 644104153 /nfs/dbraw/zinc/10/41/53/644104153.db2.gz XVUXXSVSQOHTGY-UHFFFAOYSA-N -1 3 238.291 0.060 20 0 BCADHM CCCn1nccc1CNCC(=O)[N-]OC ZINC000922827559 644104255 /nfs/dbraw/zinc/10/42/55/644104255.db2.gz GEHGIHREBPAUSV-UHFFFAOYSA-N -1 3 226.280 0.060 20 0 BCADHM CO[N-]C(=O)CNCc1cccc2c1OCC2 ZINC000922827856 644104742 /nfs/dbraw/zinc/10/47/42/644104742.db2.gz JBEODUDPVLAQQV-UHFFFAOYSA-N -1 3 236.271 0.389 20 0 BCADHM CO[N-]C(=O)CNCc1cccc(Cl)c1N ZINC000922828513 644104899 /nfs/dbraw/zinc/10/48/99/644104899.db2.gz SLBXIBOIYSTLOX-UHFFFAOYSA-N -1 3 243.694 0.689 20 0 BCADHM CO[N-]C(=O)CNCc1ccc(F)nc1C ZINC000922828994 644105450 /nfs/dbraw/zinc/10/54/50/644105450.db2.gz DOUWQPHQDKBTON-UHFFFAOYSA-N -1 3 227.239 0.296 20 0 BCADHM CO[N-]C(=O)CNCc1cnc(C2CC2)s1 ZINC000922828902 644105928 /nfs/dbraw/zinc/10/59/28/644105928.db2.gz ACTXGLONPPQAKH-UHFFFAOYSA-N -1 3 241.316 0.788 20 0 BCADHM CO[N-]C(=O)CNCc1cnn(C(C)(C)C)c1 ZINC000922830310 644114917 /nfs/dbraw/zinc/11/49/17/644114917.db2.gz NBVASWDOHUFNMS-UHFFFAOYSA-N -1 3 240.307 0.405 20 0 BCADHM CO[N-]C(=O)CNCc1cccc2c1OCO2 ZINC000922829893 644115062 /nfs/dbraw/zinc/11/50/62/644115062.db2.gz HOJHUKGIKMOOBN-UHFFFAOYSA-N -1 3 238.243 0.183 20 0 BCADHM O=C(C[C@H]1COC(=O)C1)[N-]OC1CCCC1 ZINC000774868061 644698926 /nfs/dbraw/zinc/69/89/26/644698926.db2.gz UPMPOAFGJKWXAT-MRVPVSSYSA-N -1 3 227.260 0.930 20 0 BCADHM CC[C@H](CO)C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000779804277 644716524 /nfs/dbraw/zinc/71/65/24/644716524.db2.gz ULWGNYCEVZUPFS-ZCFIWIBFSA-N -1 3 241.247 0.153 20 0 BCADHM O=C([N-]N1Cc2ccccc2C1=O)c1cn[nH]c1 ZINC000782076109 644739950 /nfs/dbraw/zinc/73/99/50/644739950.db2.gz PYHLWWACMHLAGD-UHFFFAOYSA-N -1 3 242.238 0.711 20 0 BCADHM NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000095237031 644744464 /nfs/dbraw/zinc/74/44/64/644744464.db2.gz TWXUTIHMZSWJSK-UHFFFAOYSA-N -1 3 235.272 0.444 20 0 BCADHM NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000095237031 644744472 /nfs/dbraw/zinc/74/44/72/644744472.db2.gz TWXUTIHMZSWJSK-UHFFFAOYSA-N -1 3 235.272 0.444 20 0 BCADHM COc1cccc([O-])c1C(=O)NC[C@@H](C)O ZINC000096785580 644836409 /nfs/dbraw/zinc/83/64/09/644836409.db2.gz DHMJOHLRXUVYMZ-SSDOTTSWSA-N -1 3 225.244 0.511 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](N)CC1CC1 ZINC000304390474 644900732 /nfs/dbraw/zinc/90/07/32/644900732.db2.gz SWTREDMTQJVJLH-BDAKNGLRSA-N -1 3 228.292 0.435 20 0 BCADHM CCSCCN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000253101945 644936876 /nfs/dbraw/zinc/93/68/76/644936876.db2.gz XSIQNYPWRQHPEA-SFYZADRCSA-N -1 3 219.306 0.259 20 0 BCADHM CCC(=O)N1CC[C@@H](C(=O)[N-]OCC2CC2)C1 ZINC000817339362 644972231 /nfs/dbraw/zinc/97/22/31/644972231.db2.gz FZPDVWLISSSYAE-SNVBAGLBSA-N -1 3 240.303 0.703 20 0 BCADHM CN(CC(C)(C)CNC(=O)[O-])[C@@H]1CCNC1=O ZINC000828154136 645098227 /nfs/dbraw/zinc/09/82/27/645098227.db2.gz GJITUECKYXEPIM-MRVPVSSYSA-N -1 3 243.307 0.101 20 0 BCADHM COC/C(C)=C/C(=O)NCc1ncccc1[O-] ZINC000846053986 645393888 /nfs/dbraw/zinc/39/38/88/645393888.db2.gz ZURXBBIGMSXJOC-RMKNXTFCSA-N -1 3 236.271 0.996 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C1(C)CCOCC1 ZINC000857287319 645545622 /nfs/dbraw/zinc/54/56/22/645545622.db2.gz OCPUGSNPAISQKP-SNVBAGLBSA-N -1 3 245.319 0.868 20 0 BCADHM CO[N-]C(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000857435981 645557435 /nfs/dbraw/zinc/55/74/35/645557435.db2.gz PZGPTAPICJLYJZ-UHFFFAOYSA-N -1 3 232.243 0.487 20 0 BCADHM COCCO[N-]C(=O)CCCc1ncc(C)o1 ZINC000857461182 645567759 /nfs/dbraw/zinc/56/77/59/645567759.db2.gz CKHAZXKSAKMJHN-UHFFFAOYSA-N -1 3 242.275 1.000 20 0 BCADHM CC[C@H](O)CC(=O)[N-]OCc1cccnc1 ZINC000857473807 645571875 /nfs/dbraw/zinc/57/18/75/645571875.db2.gz FFXLJOZMTHLPBT-JTQLQIEISA-N -1 3 224.260 0.790 20 0 BCADHM O=C(CC1(O)CCC1)[N-]OC[C@@H]1CCOC1 ZINC000857493500 645575935 /nfs/dbraw/zinc/57/59/35/645575935.db2.gz CBEBYWIOGVUZNO-SECBINFHSA-N -1 3 229.276 0.376 20 0 BCADHM CC[C@@H](O)CC(=O)[N-]OC1CCOCC1 ZINC000857488428 645577857 /nfs/dbraw/zinc/57/78/57/645577857.db2.gz GWHOCVCSLWAQKQ-MRVPVSSYSA-N -1 3 217.265 0.374 20 0 BCADHM CC(C)O[N-]C(=O)CCc1ccn(C)n1 ZINC000857522336 645588849 /nfs/dbraw/zinc/58/88/49/645588849.db2.gz GMKQJOQHQICIMA-UHFFFAOYSA-N -1 3 211.265 0.809 20 0 BCADHM Cn1ncc(CCC(=O)[N-]OC2CCC2)n1 ZINC000857522036 645589300 /nfs/dbraw/zinc/58/93/00/645589300.db2.gz AFKZLIYZNKABLG-UHFFFAOYSA-N -1 3 224.264 0.348 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)C12CC(C1)C2 ZINC000861249220 645690762 /nfs/dbraw/zinc/69/07/62/645690762.db2.gz XHUUZIDMEOFXKQ-FKTRJACZSA-N -1 3 211.261 0.871 20 0 BCADHM CCCO[N-]C(=O)Cc1ccc(C(N)=O)nc1 ZINC000862102175 645694489 /nfs/dbraw/zinc/69/44/89/645694489.db2.gz FGJOITZEEIZPTF-UHFFFAOYSA-N -1 3 237.259 0.181 20 0 BCADHM O=C(CCc1cn[nH]c1)[N-]OCC1CC1 ZINC000863919363 645708945 /nfs/dbraw/zinc/70/89/45/645708945.db2.gz VTDVHSHJFQOENH-UHFFFAOYSA-N -1 3 209.249 0.800 20 0 BCADHM COCCO[N-]C(=O)Cc1c(C)nn(C)c1C ZINC000135132852 645877336 /nfs/dbraw/zinc/87/73/36/645877336.db2.gz HIYUMAKPHCDICO-UHFFFAOYSA-N -1 3 241.291 0.274 20 0 BCADHM O=C(NC1CSC1)c1c([O-])cccc1O ZINC000702364414 712048617 /nfs/dbraw/zinc/04/86/17/712048617.db2.gz IVWFYHFVRODCSO-UHFFFAOYSA-N -1 3 225.269 0.943 20 0 BCADHM CC[C@H](C)C[C@@H](N)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000703174212 712067527 /nfs/dbraw/zinc/06/75/27/712067527.db2.gz OXRHBASDHOKKRK-AATLWQCWSA-N -1 3 242.319 0.729 20 0 BCADHM CC(C)(C)C(C)(C)C(=O)[N-]OCC(N)=O ZINC000379956828 712636408 /nfs/dbraw/zinc/63/64/08/712636408.db2.gz VOORTSVQISGIJO-UHFFFAOYSA-N -1 3 216.281 0.592 20 0 BCADHM Cc1nc(N[C@@H](CO)CC(F)F)cc(=O)[n-]1 ZINC000717843584 712692815 /nfs/dbraw/zinc/69/28/15/712692815.db2.gz FXJXUHSUZXTCCY-ZCFIWIBFSA-N -1 3 233.218 0.919 20 0 BCADHM C[C@@H]1[C@@H](Nc2nc(C(=O)[O-])co2)CCN1C ZINC000719475564 712808353 /nfs/dbraw/zinc/80/83/53/712808353.db2.gz RGYKTCPLBYUBJS-RQJHMYQMSA-N -1 3 225.248 0.877 20 0 BCADHM COc1nc(NC(=O)[C@@H](C)[C@H]2CCCO2)n[n-]1 ZINC000720591077 712855749 /nfs/dbraw/zinc/85/57/49/712855749.db2.gz MDWXKOJYDJGESR-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](C)[C@H]2CCCO2)n1 ZINC000720591077 712855751 /nfs/dbraw/zinc/85/57/51/712855751.db2.gz MDWXKOJYDJGESR-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM COC[C@@H](C)NC(=O)c1ccc(N)cc1[O-] ZINC000381328350 710622286 /nfs/dbraw/zinc/62/22/86/710622286.db2.gz RZBDEDZGRPREEB-SSDOTTSWSA-N -1 3 224.260 0.739 20 0 BCADHM Cc1nc(N2C[C@H](O)C(C)(C)C2)cc(=O)[n-]1 ZINC000387945109 711049645 /nfs/dbraw/zinc/04/96/45/711049645.db2.gz USVIVMGCXPPHJT-QMMMGPOBSA-N -1 3 223.276 0.698 20 0 BCADHM Cc1nc(NCc2cnn(C)n2)cc(=O)[n-]1 ZINC000389960040 711100592 /nfs/dbraw/zinc/10/05/92/711100592.db2.gz GWZGNBDEWRHCIW-UHFFFAOYSA-N -1 3 220.236 0.231 20 0 BCADHM CCc1nnc(C[N-]C(=O)C(F)F)s1 ZINC000391709209 711140074 /nfs/dbraw/zinc/14/00/74/711140074.db2.gz JRELJHJELNIPTQ-UHFFFAOYSA-N -1 3 221.232 0.982 20 0 BCADHM CCN=c1[n-]cc(C(=O)OC[C@H](C)O)s1 ZINC000393620184 711166298 /nfs/dbraw/zinc/16/62/98/711166298.db2.gz PKXMQTNPODFDEX-LURJTMIESA-N -1 3 230.289 0.534 20 0 BCADHM C[C@@](O)(CNc1cc(=O)[n-]cn1)C1CC1 ZINC000393765143 711174078 /nfs/dbraw/zinc/17/40/78/711174078.db2.gz QNVYOIJBKYJKFJ-SNVBAGLBSA-N -1 3 209.249 0.755 20 0 BCADHM CCN=c1[n-]cc(C(=O)OC[C@@H](C)CO)s1 ZINC000381443965 710637304 /nfs/dbraw/zinc/63/73/04/710637304.db2.gz FFWODPGMTDTBCU-ZETCQYMHSA-N -1 3 244.316 0.782 20 0 BCADHM CC[C@H](NC(=O)c1cn[n-]n1)[C@@H]1CCCOC1 ZINC000723872612 711540855 /nfs/dbraw/zinc/54/08/55/711540855.db2.gz ZJLVJSLRIFHOGD-BDAKNGLRSA-N -1 3 238.291 0.740 20 0 BCADHM C[C@H](O)[C@@H](O)CNCc1cccc([O-])c1Cl ZINC000717357374 711596341 /nfs/dbraw/zinc/59/63/41/711596341.db2.gz CBOYNCGIFRNNJA-XVKPBYJWSA-N -1 3 245.706 0.877 20 0 BCADHM Cc1nc(N2C[C@H](O)CC(F)(F)C2)cc(=O)[n-]1 ZINC000893420442 711722218 /nfs/dbraw/zinc/72/22/18/711722218.db2.gz IPARVYKSACZZBD-SSDOTTSWSA-N -1 3 245.229 0.697 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000590118172 711826629 /nfs/dbraw/zinc/82/66/29/711826629.db2.gz MPCMDZIGPVETAD-LDYMZIIASA-N -1 3 248.282 0.647 20 0 BCADHM CC[C@@H](C)NC(=O)[C@@H](C)O[N-]C(C)=O ZINC000180806854 711890205 /nfs/dbraw/zinc/89/02/05/711890205.db2.gz CWRAGRMXRZXXPD-RNFRBKRXSA-N -1 3 202.254 0.357 20 0 BCADHM CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001032369144 711914926 /nfs/dbraw/zinc/91/49/26/711914926.db2.gz UJBZNECSDMLXPF-UWVGGRQHSA-N -1 3 247.298 0.706 20 0 BCADHM O=C(c1cncc([O-])c1)N1CC[C@H](N2CCC2)C1 ZINC000702296368 712042969 /nfs/dbraw/zinc/04/29/69/712042969.db2.gz KFKIGVHSDVGEPV-NSHDSACASA-N -1 3 247.298 0.707 20 0 BCADHM O=C(c1ncccc1[O-])N1CC[C@H](N2CCC2)C1 ZINC000702302911 712043707 /nfs/dbraw/zinc/04/37/07/712043707.db2.gz VTJGULOCMKPKKL-JTQLQIEISA-N -1 3 247.298 0.707 20 0 BCADHM CC[C@H](C)C[C@H](N)C(=O)NC1CC(C(=O)[O-])C1 ZINC000703478212 712075871 /nfs/dbraw/zinc/07/58/71/712075871.db2.gz OXRHBASDHOKKRK-NFTFJBJSSA-N -1 3 242.319 0.729 20 0 BCADHM CC1(O)CCC(NC(=O)c2cn[n-]n2)CC1 ZINC000703577268 712079238 /nfs/dbraw/zinc/07/92/38/712079238.db2.gz SSVODPJWFULPQB-UHFFFAOYSA-N -1 3 224.264 0.228 20 0 BCADHM CN1CC[C@H]1CNC(=O)c1ccc(O)cc1[O-] ZINC000712284360 712394081 /nfs/dbraw/zinc/39/40/81/712394081.db2.gz NKNMQZLXZDPLSU-QMMMGPOBSA-N -1 3 236.271 0.532 20 0 BCADHM O=C(NC1CC(=O)C1)c1ccccc1[O-] ZINC000717009850 712604388 /nfs/dbraw/zinc/60/43/88/712604388.db2.gz LYSYQNUYQLTOLL-UHFFFAOYSA-N -1 3 205.213 0.854 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@@H]1COCCC1=O ZINC000717162944 712638415 /nfs/dbraw/zinc/63/84/15/712638415.db2.gz NMUYEXJCGLVHQE-SECBINFHSA-N -1 3 249.266 0.788 20 0 BCADHM Cc1ccc(C(=O)NC[C@H](O)[C@H](C)O)c([O-])c1 ZINC000717336665 712649699 /nfs/dbraw/zinc/64/96/99/712649699.db2.gz RBLHYYJLEYUMCH-KWQFWETISA-N -1 3 239.271 0.172 20 0 BCADHM Cc1cccc([O-])c1C(=O)NC[C@@H](O)[C@H](C)O ZINC000717412760 712656349 /nfs/dbraw/zinc/65/63/49/712656349.db2.gz NMKCQLPCZDWOKY-WCBMZHEXSA-N -1 3 239.271 0.172 20 0 BCADHM COc1nnc(NC(=O)[C@@H](C)[C@H]2CCCO2)[n-]1 ZINC000720591077 712855746 /nfs/dbraw/zinc/85/57/46/712855746.db2.gz MDWXKOJYDJGESR-NKWVEPMBSA-N -1 3 240.263 0.567 20 0 BCADHM CC[C@@H](C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335432301 398140217 /nfs/dbraw/zinc/14/02/17/398140217.db2.gz CVDQDFANWMIDOS-SSDOTTSWSA-N -1 3 217.294 0.497 20 0 BCADHM C[C@@H]1C[C@H](CN2CCOC[C@H]2C(=O)[O-])CCO1 ZINC000257684404 349471677 /nfs/dbraw/zinc/47/16/77/349471677.db2.gz RAIMLBQKTYBEOU-MXWKQRLJSA-N -1 3 243.303 0.587 20 0 BCADHM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000389881438 398146375 /nfs/dbraw/zinc/14/63/75/398146375.db2.gz OLRKSPRSOXSZIU-RQJHMYQMSA-N -1 3 247.345 0.582 20 0 BCADHM Cc1cc(C[N-]S(=O)(=O)[C@@H]2CCOC2)on1 ZINC000357759401 178028589 /nfs/dbraw/zinc/02/85/89/178028589.db2.gz UVMALSXJKXGOFL-SECBINFHSA-N -1 3 246.288 0.191 20 0 BCADHM O=S(=O)([N-]C1(CO)CC1)c1ccccc1F ZINC000163183245 538927156 /nfs/dbraw/zinc/92/71/56/538927156.db2.gz HVRVZHBTQHHKJM-UHFFFAOYSA-N -1 3 245.275 0.629 20 0 BCADHM C[C@@H]1CN(CC2(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000576405102 365588102 /nfs/dbraw/zinc/58/81/02/365588102.db2.gz DTFMHILUGPWLCA-DTORHVGOSA-N -1 3 213.277 0.960 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1cnn2c1OCCC2 ZINC000576416617 365592241 /nfs/dbraw/zinc/59/22/41/365592241.db2.gz MORIHYNGFXWGBA-UHFFFAOYSA-N -1 3 234.219 0.036 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](CO)C2)n1 ZINC000192600045 178203470 /nfs/dbraw/zinc/20/34/70/178203470.db2.gz SQAOVUJQLWDXQU-UWVGGRQHSA-N -1 3 237.303 0.866 20 0 BCADHM CCc1nn(C)cc1CNC1(C(=O)[O-])CC1 ZINC000381181281 398232900 /nfs/dbraw/zinc/23/29/00/398232900.db2.gz WNQXQJADUMWSCJ-UHFFFAOYSA-N -1 3 223.276 0.689 20 0 BCADHM O=C(NCCn1cnnc1)c1ccccc1[O-] ZINC000381175107 398230138 /nfs/dbraw/zinc/23/01/38/398230138.db2.gz CYEMZYANGAXCAY-UHFFFAOYSA-N -1 3 232.243 0.414 20 0 BCADHM C/C=C/C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000625556588 343989836 /nfs/dbraw/zinc/98/98/36/343989836.db2.gz ANDARQIFBPKXRY-SNAWJCMRSA-N -1 3 229.305 0.583 20 0 BCADHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000334977592 398237675 /nfs/dbraw/zinc/23/76/75/398237675.db2.gz WUENUZQXBXCRAG-RNFRBKRXSA-N -1 3 247.345 0.440 20 0 BCADHM CN(C)C(=O)C(C)(C)NCc1ncccc1[O-] ZINC000576503626 365612192 /nfs/dbraw/zinc/61/21/92/365612192.db2.gz IRRLLFIODXIJDP-UHFFFAOYSA-N -1 3 237.303 0.744 20 0 BCADHM CN1C[C@H](C(=O)Nc2ncccc2[O-])CC1=O ZINC000192765311 398250051 /nfs/dbraw/zinc/25/00/51/398250051.db2.gz SEKRTFKUQGVFDL-SSDOTTSWSA-N -1 3 235.243 0.204 20 0 BCADHM Cc1nn(C)c(C)c1N=c1ncnc2[nH][n-]cc1-2 ZINC000344363887 136231616 /nfs/dbraw/zinc/23/16/16/136231616.db2.gz WSVBSOLUCLDSQA-UHFFFAOYSA-N -1 3 243.274 0.820 20 0 BCADHM Cc1ccc(C(=O)N2CCC[C@@H]2C(N)=O)c([O-])c1 ZINC000020295309 178388991 /nfs/dbraw/zinc/38/89/91/178388991.db2.gz SVJHVRKSVDXEMN-SNVBAGLBSA-N -1 3 248.282 0.791 20 0 BCADHM FC(F)c1n[n-]c(=NCCN2CCCC2)o1 ZINC000381818995 398274797 /nfs/dbraw/zinc/27/47/97/398274797.db2.gz KCKVFOABQLIFBU-UHFFFAOYSA-N -1 3 232.234 0.937 20 0 BCADHM CN(C[C@H]1CCCN1C)C(=O)c1cc(=O)[nH][n-]1 ZINC000616385808 342750247 /nfs/dbraw/zinc/75/02/47/342750247.db2.gz IGGBUQJBLNYTSX-MRVPVSSYSA-N -1 3 238.291 0.282 20 0 BCADHM C[C@H](CO)CNC(=O)c1cccc2nn[n-]c21 ZINC000182804257 538964557 /nfs/dbraw/zinc/96/45/57/538964557.db2.gz SWBDVOGUXXYBNT-ZETCQYMHSA-N -1 3 234.259 0.316 20 0 BCADHM C[C@H](CO)CNC(=O)c1cccc2[n-]nnc21 ZINC000182804257 538964558 /nfs/dbraw/zinc/96/45/58/538964558.db2.gz SWBDVOGUXXYBNT-ZETCQYMHSA-N -1 3 234.259 0.316 20 0 BCADHM C[C@H](CO)CNC(=O)c1cccc2n[n-]nc21 ZINC000182804257 538964559 /nfs/dbraw/zinc/96/45/59/538964559.db2.gz SWBDVOGUXXYBNT-ZETCQYMHSA-N -1 3 234.259 0.316 20 0 BCADHM CCC=CCNC(=O)c1cc(=O)[n-]cn1 ZINC000627604200 342757423 /nfs/dbraw/zinc/75/74/23/342757423.db2.gz REBFSVGJFVVRAP-ONEGZZNKSA-N -1 3 207.233 0.878 20 0 BCADHM CCC=CCNC(=O)c1cc(=O)[n-]cn1 ZINC000627604199 342757439 /nfs/dbraw/zinc/75/74/39/342757439.db2.gz REBFSVGJFVVRAP-ARJAWSKDSA-N -1 3 207.233 0.878 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC(CO)C2)c1 ZINC000084986399 398286897 /nfs/dbraw/zinc/28/68/97/398286897.db2.gz ROZGWVJHYNKEAH-UHFFFAOYSA-N -1 3 221.256 0.765 20 0 BCADHM CC(C)CN1CCO[C@H](CC(=O)[O-])C1 ZINC000082382163 361988056 /nfs/dbraw/zinc/98/80/56/361988056.db2.gz TXDQGABVALFIPW-SECBINFHSA-N -1 3 201.266 0.818 20 0 BCADHM COCC[C@@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000625042759 342844382 /nfs/dbraw/zinc/84/43/82/342844382.db2.gz PEGCWBKVFBHZCZ-SSDOTTSWSA-N -1 3 225.248 0.337 20 0 BCADHM C[C@H]1COCCN(Cc2n[n-]c(=O)s2)C1 ZINC000367062210 136242679 /nfs/dbraw/zinc/24/26/79/136242679.db2.gz KWXRGDSYHHGUEA-SSDOTTSWSA-N -1 3 229.305 0.712 20 0 BCADHM C[C@H](O)C[N-]S(=O)(=O)c1ccccc1F ZINC000035119339 342883967 /nfs/dbraw/zinc/88/39/67/342883967.db2.gz JJNGAXHTUNIACI-ZETCQYMHSA-N -1 3 233.264 0.485 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)CO)c1 ZINC000035204791 342885423 /nfs/dbraw/zinc/88/54/23/342885423.db2.gz VUENNRKRRDPZEQ-QMMMGPOBSA-N -1 3 209.245 0.811 20 0 BCADHM [O-]c1ccc(Cl)c(CN(CCO)CCO)c1 ZINC000625134870 342885909 /nfs/dbraw/zinc/88/59/09/342885909.db2.gz HBWJCOZXAMDKHI-UHFFFAOYSA-N -1 3 245.706 0.832 20 0 BCADHM Cc1ccc(F)c(S(=O)(=O)[N-]CCO)c1 ZINC000035610799 342890639 /nfs/dbraw/zinc/89/06/39/342890639.db2.gz VDLWQPCTAQGGIU-UHFFFAOYSA-N -1 3 233.264 0.405 20 0 BCADHM CC[C@H](O)CNc1ccncc1C(=O)[O-] ZINC000234037142 342916796 /nfs/dbraw/zinc/91/67/96/342916796.db2.gz DTIPNSLGPYCYCU-ZETCQYMHSA-N -1 3 210.233 0.963 20 0 BCADHM CC[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000234036891 342916946 /nfs/dbraw/zinc/91/69/46/342916946.db2.gz VXYJXKTVXMJXQQ-VGMNWLOBSA-N -1 3 228.292 0.435 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CCNC(=O)[C@H]2C)c1 ZINC000106359687 398327405 /nfs/dbraw/zinc/32/74/05/398327405.db2.gz RGAWZRKQOWFZNT-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM CN(C)CCn1[n-]c(C[C@@H]2CCCO2)cc1=O ZINC000634589907 342937089 /nfs/dbraw/zinc/93/70/89/342937089.db2.gz LFNHPZBFWRWKOB-NSHDSACASA-N -1 3 239.319 0.705 20 0 BCADHM O=C(c1cncc([O-])c1)N1CCN(C2CC2)CC1 ZINC000111739284 398332208 /nfs/dbraw/zinc/33/22/08/398332208.db2.gz SGHUMTZAEIQDHS-UHFFFAOYSA-N -1 3 247.298 0.707 20 0 BCADHM CN(C)CCn1[n-]c2c(c1=O)Cc1ccccc1-2 ZINC000634589865 342937164 /nfs/dbraw/zinc/93/71/64/342937164.db2.gz KFKVBZJXMRKIIC-GFCCVEGCSA-N -1 3 243.310 0.967 20 0 BCADHM C[C@@]1(CNC(=O)c2cc(=O)[n-]cn2)CCOC1 ZINC000625582842 344016059 /nfs/dbraw/zinc/01/60/59/344016059.db2.gz OCEOWPCNHUQLOH-NSHDSACASA-N -1 3 237.259 0.339 20 0 BCADHM CCn1ccnc1C(=O)NCc1ncccc1[O-] ZINC000487554783 529564972 /nfs/dbraw/zinc/56/49/72/529564972.db2.gz FCBOFEJXPAFJJE-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccn2)C1 ZINC000625642569 344023697 /nfs/dbraw/zinc/02/36/97/344023697.db2.gz QTWOWXBYWXZHJX-KYZUINATSA-N -1 3 242.300 0.537 20 0 BCADHM CC[C@H]1COCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000625668031 344027915 /nfs/dbraw/zinc/02/79/15/344027915.db2.gz UMZYONAQMZOIHS-QMMMGPOBSA-N -1 3 237.259 0.433 20 0 BCADHM O=C([O-])c1cnccc1NC[C@@H](O)C(F)F ZINC000236556102 343102374 /nfs/dbraw/zinc/10/23/74/343102374.db2.gz SONCUOIDWHFJDP-SSDOTTSWSA-N -1 3 232.186 0.818 20 0 BCADHM C[C@@H](C(=O)[O-])N(C)C[C@H](O)C(F)(F)F ZINC000082681340 362100072 /nfs/dbraw/zinc/10/00/72/362100072.db2.gz RTZOSKQMUWDTLQ-WHFBIAKZSA-N -1 3 215.171 0.315 20 0 BCADHM O=C(Nc1ncccc1[O-])c1c[nH]cn1 ZINC000169932161 136269961 /nfs/dbraw/zinc/26/99/61/136269961.db2.gz UICVAISXTFODIZ-UHFFFAOYSA-N -1 3 204.189 0.763 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)CCS1 ZINC000625259897 343133406 /nfs/dbraw/zinc/13/34/06/343133406.db2.gz OUKXKFWXNQJFEJ-SSDOTTSWSA-N -1 3 239.300 0.760 20 0 BCADHM O=C([O-])c1cnccc1N1CC[C@@H](CCO)C1 ZINC000123496420 343162112 /nfs/dbraw/zinc/16/21/12/343162112.db2.gz OMHZYRGMFXTMMY-VIFPVBQESA-N -1 3 236.271 0.989 20 0 BCADHM O=C(NCc1ccncc1)c1c[n-]nn1 ZINC000088330180 259355180 /nfs/dbraw/zinc/35/51/80/259355180.db2.gz ZYEYFKOCGRLVDM-UHFFFAOYSA-N -1 3 203.205 0.130 20 0 BCADHM O=C(NCc1ccncc1)c1cnn[n-]1 ZINC000088330180 259355181 /nfs/dbraw/zinc/35/51/81/259355181.db2.gz ZYEYFKOCGRLVDM-UHFFFAOYSA-N -1 3 203.205 0.130 20 0 BCADHM O=C(NCc1ccncc1)c1cn[n-]n1 ZINC000088330180 259355182 /nfs/dbraw/zinc/35/51/82/259355182.db2.gz ZYEYFKOCGRLVDM-UHFFFAOYSA-N -1 3 203.205 0.130 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)C(N)=O)c1 ZINC000035149307 343286902 /nfs/dbraw/zinc/28/69/02/343286902.db2.gz MOHLTTZAZMZZFT-ZETCQYMHSA-N -1 3 222.244 0.304 20 0 BCADHM C[C@@H]1OCC[C@H]1CN1CCOC[C@@H]1C(=O)[O-] ZINC000634690438 343276697 /nfs/dbraw/zinc/27/66/97/343276697.db2.gz LLLOMSCVLSFQHA-LPEHRKFASA-N -1 3 229.276 0.197 20 0 BCADHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069949019 343295008 /nfs/dbraw/zinc/29/50/08/343295008.db2.gz BULLKCQAOPGSRT-JGVFFNPUSA-N -1 3 229.305 0.877 20 0 BCADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)OC ZINC000070224061 343314758 /nfs/dbraw/zinc/31/47/58/343314758.db2.gz XYNIFMQTZUKDPD-RNFRBKRXSA-N -1 3 223.294 0.123 20 0 BCADHM CCc1cc(NC(=O)c2cc(=O)[n-]cn2)n(C)n1 ZINC000625676987 344030735 /nfs/dbraw/zinc/03/07/35/344030735.db2.gz RMXJJDXKFWWFFC-UHFFFAOYSA-N -1 3 247.258 0.730 20 0 BCADHM O=C(c1ccccc1[O-])N1C[C@H](O)C2(CC2)C1 ZINC000335733480 136349607 /nfs/dbraw/zinc/34/96/07/136349607.db2.gz JIFMQQRHPQVUEC-NSHDSACASA-N -1 3 233.267 0.989 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000042208587 343431603 /nfs/dbraw/zinc/43/16/03/343431603.db2.gz YPCJTUACXYBJHA-QMMMGPOBSA-N -1 3 237.255 0.992 20 0 BCADHM CO[N-]C(=O)C1(N)Cc2ccccc2C1 ZINC000378209268 136357019 /nfs/dbraw/zinc/35/70/19/136357019.db2.gz KHJJEVYFODLRHX-UHFFFAOYSA-N -1 3 206.245 0.160 20 0 BCADHM CN(CC1=CCCOC1)C(=O)c1cc(=O)[n-]cn1 ZINC000628083554 343466844 /nfs/dbraw/zinc/46/68/44/343466844.db2.gz HBBRJVCZKPPPBR-UHFFFAOYSA-N -1 3 249.270 0.601 20 0 BCADHM O=C([O-])[C@@H]1COCCN1CC1CCOCC1 ZINC000083876222 343505947 /nfs/dbraw/zinc/50/59/47/343505947.db2.gz SQYLESJXRWFPPJ-JTQLQIEISA-N -1 3 229.276 0.198 20 0 BCADHM O=C(CC[C@H]1NC(=O)[N-]C1=O)Nc1ccccc1 ZINC000046468980 343545679 /nfs/dbraw/zinc/54/56/79/343545679.db2.gz AOODRYXTJBPWQH-SECBINFHSA-N -1 3 247.254 0.613 20 0 BCADHM CC[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000086254062 343615588 /nfs/dbraw/zinc/61/55/88/343615588.db2.gz DYZWCNZSDBBVMB-UHFFFAOYSA-N -1 3 203.267 0.201 20 0 BCADHM COCC1(CN2CCOC[C@H]2C(=O)[O-])CCC1 ZINC000379984054 365780536 /nfs/dbraw/zinc/78/05/36/365780536.db2.gz QGDXZJZRJWQINC-JTQLQIEISA-N -1 3 243.303 0.589 20 0 BCADHM CN(C)C(=O)CN1C2CCC1(C(=O)[O-])CC2 ZINC000634696466 343629632 /nfs/dbraw/zinc/62/96/32/343629632.db2.gz YTXPPVPPQNXXEI-UHFFFAOYSA-N -1 3 226.276 0.156 20 0 BCADHM CN1CN(C(=O)/C=C/c2cncc([O-])c2)CC1=O ZINC000493451084 529815438 /nfs/dbraw/zinc/81/54/38/529815438.db2.gz MGQNPRNNOOBAQF-NSCUHMNNSA-N -1 3 247.254 0.059 20 0 BCADHM COCCN(C)c1ccncc1C(=O)[O-] ZINC000088109801 343706298 /nfs/dbraw/zinc/70/62/98/343706298.db2.gz USJXLGLOHWNYEE-UHFFFAOYSA-N -1 3 210.233 0.862 20 0 BCADHM CC(=O)NCC(=O)Nc1ccccc1[O-] ZINC000165542100 343688015 /nfs/dbraw/zinc/68/80/15/343688015.db2.gz GQDKHTGDBVTTLR-UHFFFAOYSA-N -1 3 208.217 0.467 20 0 BCADHM O=C([O-])[C@@H]1CN(CC2CCCC2)CCO1 ZINC000043704845 343708671 /nfs/dbraw/zinc/70/86/71/343708671.db2.gz QYLQEYHYXKNBNQ-JTQLQIEISA-N -1 3 213.277 0.962 20 0 BCADHM COC(=O)[C@H](NC(=O)c1c[n-]nn1)C(C)(C)C ZINC000135072880 343714747 /nfs/dbraw/zinc/71/47/47/343714747.db2.gz BFXLRDXEJBSCBS-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM COC(=O)[C@H](NC(=O)c1cnn[n-]1)C(C)(C)C ZINC000135072880 343714748 /nfs/dbraw/zinc/71/47/48/343714748.db2.gz BFXLRDXEJBSCBS-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM COC(=O)[C@H](NC(=O)c1cn[n-]n1)C(C)(C)C ZINC000135072880 343714749 /nfs/dbraw/zinc/71/47/49/343714749.db2.gz BFXLRDXEJBSCBS-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM CN1C(=O)CC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000336455476 537811977 /nfs/dbraw/zinc/81/19/77/537811977.db2.gz SNAATDLYYOFZNI-VIFPVBQESA-N -1 3 234.255 0.952 20 0 BCADHM CNC(=O)[C@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000492473988 529914056 /nfs/dbraw/zinc/91/40/56/529914056.db2.gz NOMHJRXIAVDWNF-RTMURIBGSA-N -1 3 249.270 0.051 20 0 BCADHM CNC(=O)[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000624476854 343900488 /nfs/dbraw/zinc/90/04/88/343900488.db2.gz MQTQQOURPMFDIR-QMMMGPOBSA-N -1 3 236.271 0.565 20 0 BCADHM C[C@]1(CNC(=O)c2cc(=O)[n-]cn2)CC1(F)F ZINC000628090833 343934500 /nfs/dbraw/zinc/93/45/00/343934500.db2.gz VJKACKCQLMTXRQ-SECBINFHSA-N -1 3 243.213 0.957 20 0 BCADHM O=c1[n-]c(=O)n(Cc2ccccn2)cc1Cl ZINC000091329720 343948796 /nfs/dbraw/zinc/94/87/96/343948796.db2.gz XHWYBGRYAMGQKX-UHFFFAOYSA-N -1 3 237.646 0.633 20 0 BCADHM C[C@@H]1CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000641244040 362320039 /nfs/dbraw/zinc/32/00/39/362320039.db2.gz RULAYDYCSPKTIE-SECBINFHSA-N -1 3 248.282 0.743 20 0 BCADHM C[C@H]1CCN1C(=O)CNC(=O)c1cccc([O-])c1 ZINC000641241479 362301753 /nfs/dbraw/zinc/30/17/53/362301753.db2.gz DSBDIACXZXSKDW-VIFPVBQESA-N -1 3 248.282 0.743 20 0 BCADHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)[C@@H]1CCOC1 ZINC000625813718 344081608 /nfs/dbraw/zinc/08/16/08/344081608.db2.gz BJEHGMWSKZJKQE-HTQZYQBOSA-N -1 3 237.259 0.337 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)CC1(C)CCC1 ZINC000603274194 349905839 /nfs/dbraw/zinc/90/58/39/349905839.db2.gz OVAZVAWPFXKVEZ-QMMMGPOBSA-N -1 3 249.332 0.658 20 0 BCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)[C@H](C)O1 ZINC000384933372 344269796 /nfs/dbraw/zinc/26/97/96/344269796.db2.gz STUKMAKEAWIBJQ-CSMHCCOUSA-N -1 3 245.304 0.254 20 0 BCADHM CC1(CO)CN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000622090458 344297608 /nfs/dbraw/zinc/29/76/08/344297608.db2.gz MIEZBOBKRRFCQM-UHFFFAOYSA-N -1 3 240.234 0.381 20 0 BCADHM C[C@H]1C[C@@H](O)CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000385112385 344330836 /nfs/dbraw/zinc/33/08/36/344330836.db2.gz WACXUNRDJZCEEY-IONNQARKSA-N -1 3 246.270 0.553 20 0 BCADHM COC(=O)c1ccc(Cc2nnn[n-]2)cc1 ZINC000095190355 344334129 /nfs/dbraw/zinc/33/41/29/344334129.db2.gz SMSSDQQRPPBIBU-UHFFFAOYSA-N -1 3 218.216 0.577 20 0 BCADHM COC(=O)c1ccc(Cc2nn[n-]n2)cc1 ZINC000095190355 344334130 /nfs/dbraw/zinc/33/41/30/344334130.db2.gz SMSSDQQRPPBIBU-UHFFFAOYSA-N -1 3 218.216 0.577 20 0 BCADHM CCCSCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000590378932 347050801 /nfs/dbraw/zinc/05/08/01/347050801.db2.gz GVONRHMMQPDEEE-UHFFFAOYSA-N -1 3 240.292 0.534 20 0 BCADHM CC1(C)CC[C@@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000622868609 344436298 /nfs/dbraw/zinc/43/62/98/344436298.db2.gz UBUAQZRUWPXAJL-RXMQYKEDSA-N -1 3 237.263 0.278 20 0 BCADHM CC1(C)CC[C@@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000622868609 344436301 /nfs/dbraw/zinc/43/63/01/344436301.db2.gz UBUAQZRUWPXAJL-RXMQYKEDSA-N -1 3 237.263 0.278 20 0 BCADHM CC1(C)CC[C@@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000622868609 344436302 /nfs/dbraw/zinc/43/63/02/344436302.db2.gz UBUAQZRUWPXAJL-RXMQYKEDSA-N -1 3 237.263 0.278 20 0 BCADHM COC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000042205099 344445523 /nfs/dbraw/zinc/44/55/23/344445523.db2.gz UEXDXKLIFHURMR-LURJTMIESA-N -1 3 249.313 0.588 20 0 BCADHM C[C@@H]1COCCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000626218729 347053998 /nfs/dbraw/zinc/05/39/98/347053998.db2.gz ASBXBSXTMCCBND-MRVPVSSYSA-N -1 3 237.259 0.433 20 0 BCADHM C[C@H]1COCCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000626218730 347054087 /nfs/dbraw/zinc/05/40/87/347054087.db2.gz ASBXBSXTMCCBND-QMMMGPOBSA-N -1 3 237.259 0.433 20 0 BCADHM C[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@@H]1C ZINC000625913029 344560666 /nfs/dbraw/zinc/56/06/66/344560666.db2.gz QCPLOFZVDMDCOH-YUMQZZPRSA-N -1 3 221.260 0.910 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC000641427098 362411530 /nfs/dbraw/zinc/41/15/30/362411530.db2.gz XGDRPCRPUCAEGQ-IVZWLZJFSA-N -1 3 247.316 0.205 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](O)C1 ZINC000625967010 344618221 /nfs/dbraw/zinc/61/82/21/344618221.db2.gz UUZZGLDUYVGAFW-SECBINFHSA-N -1 3 221.256 0.907 20 0 BCADHM O=C(N[C@H]1CCCSC1)c1cc(=O)[n-]cn1 ZINC000625991277 344658079 /nfs/dbraw/zinc/65/80/79/344658079.db2.gz OYZVKKJSRSQXED-ZETCQYMHSA-N -1 3 239.300 0.808 20 0 BCADHM C[C@@H]1C[C@@H]1CN1CCO[C@@H](CC(=O)[O-])C1 ZINC000625969579 344628965 /nfs/dbraw/zinc/62/89/65/344628965.db2.gz KRUFDMASMDDEEP-BBBLOLIVSA-N -1 3 213.277 0.818 20 0 BCADHM C[C@H](CN1CCCCC1)NC(=O)C(=O)[O-] ZINC000049503171 344642640 /nfs/dbraw/zinc/64/26/40/344642640.db2.gz BETYJVVGORVGDD-MRVPVSSYSA-N -1 3 214.265 0.062 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)C1CCCCC1 ZINC000049498869 344642656 /nfs/dbraw/zinc/64/26/56/344642656.db2.gz IPTGTPWLNGSZBL-MRVPVSSYSA-N -1 3 249.332 0.800 20 0 BCADHM O=C(NC[C@@H]1CCCS1)c1cc(=O)[n-]cn1 ZINC000626063408 344708829 /nfs/dbraw/zinc/70/88/29/344708829.db2.gz CHHJKBJCHDXFMQ-ZETCQYMHSA-N -1 3 239.300 0.808 20 0 BCADHM COC(=O)[C@H](SCCc1nnn[n-]1)C1CC1 ZINC000603341074 349917339 /nfs/dbraw/zinc/91/73/39/349917339.db2.gz XHOWWCNVDSOAIF-MRVPVSSYSA-N -1 3 242.304 0.427 20 0 BCADHM COC(=O)[C@H](SCCc1nn[n-]n1)C1CC1 ZINC000603341074 349917343 /nfs/dbraw/zinc/91/73/43/349917343.db2.gz XHOWWCNVDSOAIF-MRVPVSSYSA-N -1 3 242.304 0.427 20 0 BCADHM Cc1cc(CSCCc2nnn[n-]2)on1 ZINC000603340698 349917414 /nfs/dbraw/zinc/91/74/14/349917414.db2.gz YOPPDBJMFRQYSW-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM Cc1cc(CSCCc2nn[n-]n2)on1 ZINC000603340698 349917418 /nfs/dbraw/zinc/91/74/18/349917418.db2.gz YOPPDBJMFRQYSW-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM Cc1nc(CSCCc2nnn[n-]2)no1 ZINC000603340659 349917586 /nfs/dbraw/zinc/91/75/86/349917586.db2.gz XIHYMCFJMDWWOG-UHFFFAOYSA-N -1 3 226.265 0.367 20 0 BCADHM Cc1nc(CSCCc2nn[n-]n2)no1 ZINC000603340659 349917589 /nfs/dbraw/zinc/91/75/89/349917589.db2.gz XIHYMCFJMDWWOG-UHFFFAOYSA-N -1 3 226.265 0.367 20 0 BCADHM COC(=O)[C@@H](SCCc1nnn[n-]1)C1CC1 ZINC000603341075 349917616 /nfs/dbraw/zinc/91/76/16/349917616.db2.gz XHOWWCNVDSOAIF-QMMMGPOBSA-N -1 3 242.304 0.427 20 0 BCADHM COC(=O)[C@@H](SCCc1nn[n-]n1)C1CC1 ZINC000603341075 349917618 /nfs/dbraw/zinc/91/76/18/349917618.db2.gz XHOWWCNVDSOAIF-QMMMGPOBSA-N -1 3 242.304 0.427 20 0 BCADHM Nc1ncccc1CSCCc1nnn[n-]1 ZINC000603341812 349919410 /nfs/dbraw/zinc/91/94/10/349919410.db2.gz RNPSHBFZWDOYRB-UHFFFAOYSA-N -1 3 236.304 0.653 20 0 BCADHM Nc1ncccc1CSCCc1nn[n-]n1 ZINC000603341812 349919411 /nfs/dbraw/zinc/91/94/11/349919411.db2.gz RNPSHBFZWDOYRB-UHFFFAOYSA-N -1 3 236.304 0.653 20 0 BCADHM Cc1nc([C@H](C)SCCc2nnn[n-]2)no1 ZINC000603341940 349918652 /nfs/dbraw/zinc/91/86/52/349918652.db2.gz UITWPVRPUFTKGI-YFKPBYRVSA-N -1 3 240.292 0.928 20 0 BCADHM Cc1nc([C@H](C)SCCc2nn[n-]n2)no1 ZINC000603341940 349918658 /nfs/dbraw/zinc/91/86/58/349918658.db2.gz UITWPVRPUFTKGI-YFKPBYRVSA-N -1 3 240.292 0.928 20 0 BCADHM CCn1nncc1CSCCc1nnn[n-]1 ZINC000603341344 349919182 /nfs/dbraw/zinc/91/91/82/349919182.db2.gz OFKIATNFVANQGP-UHFFFAOYSA-N -1 3 239.308 0.287 20 0 BCADHM CCn1nncc1CSCCc1nn[n-]n1 ZINC000603341344 349919186 /nfs/dbraw/zinc/91/91/86/349919186.db2.gz OFKIATNFVANQGP-UHFFFAOYSA-N -1 3 239.308 0.287 20 0 BCADHM C[C@H](O)CCCSCCc1nnn[n-]1 ZINC000603341914 349919204 /nfs/dbraw/zinc/91/92/04/349919204.db2.gz SZRAMXALPKPWSK-ZETCQYMHSA-N -1 3 216.310 0.636 20 0 BCADHM C[C@H](O)CCCSCCc1nn[n-]n1 ZINC000603341914 349919206 /nfs/dbraw/zinc/91/92/06/349919206.db2.gz SZRAMXALPKPWSK-ZETCQYMHSA-N -1 3 216.310 0.636 20 0 BCADHM CSC[C@@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000076301090 344801040 /nfs/dbraw/zinc/80/10/40/344801040.db2.gz OIZPQZRGROJBIH-SSDOTTSWSA-N -1 3 249.361 0.450 20 0 BCADHM CCCC[C@@H](COC)NC(=O)c1c[n-]nn1 ZINC000119665392 344858260 /nfs/dbraw/zinc/85/82/60/344858260.db2.gz SVEGGBQJMBETKF-QMMMGPOBSA-N -1 3 226.280 0.740 20 0 BCADHM CCCC[C@@H](COC)NC(=O)c1cnn[n-]1 ZINC000119665392 344858261 /nfs/dbraw/zinc/85/82/61/344858261.db2.gz SVEGGBQJMBETKF-QMMMGPOBSA-N -1 3 226.280 0.740 20 0 BCADHM CCCC[C@@H](COC)NC(=O)c1cn[n-]n1 ZINC000119665392 344858262 /nfs/dbraw/zinc/85/82/62/344858262.db2.gz SVEGGBQJMBETKF-QMMMGPOBSA-N -1 3 226.280 0.740 20 0 BCADHM O=C(CSCCc1nnn[n-]1)c1ccoc1 ZINC000603342622 349920195 /nfs/dbraw/zinc/92/01/95/349920195.db2.gz KHSGVTHCEYHTSR-UHFFFAOYSA-N -1 3 238.272 0.951 20 0 BCADHM O=C(CSCCc1nn[n-]n1)c1ccoc1 ZINC000603342622 349920196 /nfs/dbraw/zinc/92/01/96/349920196.db2.gz KHSGVTHCEYHTSR-UHFFFAOYSA-N -1 3 238.272 0.951 20 0 BCADHM Cn1nnnc1SCc1cc(=O)c([O-])co1 ZINC000078927218 344923079 /nfs/dbraw/zinc/92/30/79/344923079.db2.gz DNNRCOSXEYBCKM-UHFFFAOYSA-N -1 3 240.244 0.161 20 0 BCADHM COC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000061412546 344932612 /nfs/dbraw/zinc/93/26/12/344932612.db2.gz YNEKEMRIWGXPHN-UHFFFAOYSA-N -1 3 214.246 0.587 20 0 BCADHM C[C@@H]1C[C@H](O)CN1C(=O)Cc1cncc([O-])c1 ZINC000574823548 345038159 /nfs/dbraw/zinc/03/81/59/345038159.db2.gz UNYFFEMMEVMSQZ-KCJUWKMLSA-N -1 3 236.271 0.311 20 0 BCADHM COc1ccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c([O-])c1 ZINC000641569073 362507921 /nfs/dbraw/zinc/50/79/21/362507921.db2.gz RAVLUGBMUHRIHL-SDBXPKJASA-N -1 3 249.266 0.608 20 0 BCADHM CCCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069947826 133537623 /nfs/dbraw/zinc/53/76/23/133537623.db2.gz AUDWZZOLPBUWPE-UHFFFAOYSA-N -1 3 203.267 0.488 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)CCO)o1 ZINC000330667482 178825651 /nfs/dbraw/zinc/82/56/51/178825651.db2.gz YNUGYMGBEBWFEE-QMMMGPOBSA-N -1 3 247.316 0.885 20 0 BCADHM Clc1cnc(SCCc2nnn[n-]2)nc1 ZINC000641638520 362566596 /nfs/dbraw/zinc/56/65/96/362566596.db2.gz XRCZNVOSVGMUPP-UHFFFAOYSA-N -1 3 242.695 0.978 20 0 BCADHM Clc1cnc(SCCc2nn[n-]n2)nc1 ZINC000641638520 362566598 /nfs/dbraw/zinc/56/65/98/362566598.db2.gz XRCZNVOSVGMUPP-UHFFFAOYSA-N -1 3 242.695 0.978 20 0 BCADHM COCCN1CCN([C@H](C(=O)[O-])C2CC2)CC1 ZINC000635015775 345219720 /nfs/dbraw/zinc/21/97/20/345219720.db2.gz IMPPRYXRMHHADE-NSHDSACASA-N -1 3 242.319 0.114 20 0 BCADHM COc1ccc(NC(=O)c2cnn[n-]2)cc1O ZINC000159122732 345410832 /nfs/dbraw/zinc/41/08/32/345410832.db2.gz WMHQJXYFEKQLPZ-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COc1ccc(NC(=O)c2c[n-]nn2)cc1O ZINC000159122732 345410835 /nfs/dbraw/zinc/41/08/35/345410835.db2.gz WMHQJXYFEKQLPZ-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM COc1ccc(NC(=O)c2cn[n-]n2)cc1O ZINC000159122732 345410837 /nfs/dbraw/zinc/41/08/37/345410837.db2.gz WMHQJXYFEKQLPZ-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM c1cnn(CCSCCc2nnn[n-]2)c1 ZINC000603338059 349928465 /nfs/dbraw/zinc/92/84/65/349928465.db2.gz FODAJXYPTUJYGX-UHFFFAOYSA-N -1 3 224.293 0.372 20 0 BCADHM c1cnn(CCSCCc2nn[n-]n2)c1 ZINC000603338059 349928468 /nfs/dbraw/zinc/92/84/68/349928468.db2.gz FODAJXYPTUJYGX-UHFFFAOYSA-N -1 3 224.293 0.372 20 0 BCADHM CCC(=O)CSCCc1nnn[n-]1 ZINC000603337671 349928486 /nfs/dbraw/zinc/92/84/86/349928486.db2.gz BTCHXCHGVUWQLZ-UHFFFAOYSA-N -1 3 200.267 0.455 20 0 BCADHM CCC(=O)CSCCc1nn[n-]n1 ZINC000603337671 349928488 /nfs/dbraw/zinc/92/84/88/349928488.db2.gz BTCHXCHGVUWQLZ-UHFFFAOYSA-N -1 3 200.267 0.455 20 0 BCADHM COC[C@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000641674934 362593457 /nfs/dbraw/zinc/59/34/57/362593457.db2.gz QPMXFUUHONDVSE-QMMMGPOBSA-N -1 3 224.260 0.481 20 0 BCADHM Nc1noc(CCNC(=O)c2ccccc2[O-])n1 ZINC000081764562 345491197 /nfs/dbraw/zinc/49/11/97/345491197.db2.gz BYXVEXQDHGQCDG-UHFFFAOYSA-N -1 3 248.242 0.330 20 0 BCADHM C[C@@H](SCCc1nnn[n-]1)C(=O)NC1CC1 ZINC000603338656 349928657 /nfs/dbraw/zinc/92/86/57/349928657.db2.gz TZZXLLVWOYMOFP-ZCFIWIBFSA-N -1 3 241.320 0.143 20 0 BCADHM C[C@@H](SCCc1nn[n-]n1)C(=O)NC1CC1 ZINC000603338656 349928660 /nfs/dbraw/zinc/92/86/60/349928660.db2.gz TZZXLLVWOYMOFP-ZCFIWIBFSA-N -1 3 241.320 0.143 20 0 BCADHM C[C@H](CO)CSCCc1nnn[n-]1 ZINC000603338465 349928740 /nfs/dbraw/zinc/92/87/40/349928740.db2.gz LCDGTPQMCZUQOP-ZCFIWIBFSA-N -1 3 202.283 0.104 20 0 BCADHM C[C@H](CO)CSCCc1nn[n-]n1 ZINC000603338465 349928742 /nfs/dbraw/zinc/92/87/42/349928742.db2.gz LCDGTPQMCZUQOP-ZCFIWIBFSA-N -1 3 202.283 0.104 20 0 BCADHM COCC[C@@H](C)SCCc1nnn[n-]1 ZINC000603338611 349928804 /nfs/dbraw/zinc/92/88/04/349928804.db2.gz MNWADXMOWUJOKF-SSDOTTSWSA-N -1 3 216.310 0.900 20 0 BCADHM COCC[C@@H](C)SCCc1nn[n-]n1 ZINC000603338611 349928807 /nfs/dbraw/zinc/92/88/07/349928807.db2.gz MNWADXMOWUJOKF-SSDOTTSWSA-N -1 3 216.310 0.900 20 0 BCADHM CO[N-]C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000091033556 345581138 /nfs/dbraw/zinc/58/11/38/345581138.db2.gz ONLOCWRTNLAUGI-SECBINFHSA-N -1 3 213.208 0.927 20 0 BCADHM NC(=O)CO[N-]C(=O)/C=C/c1ccsc1 ZINC000089463841 345551448 /nfs/dbraw/zinc/55/14/48/345551448.db2.gz BALCILZLZMNHRO-OWOJBTEDSA-N -1 3 226.257 0.294 20 0 BCADHM C[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H](C)C1 ZINC000089263106 345552077 /nfs/dbraw/zinc/55/20/77/345552077.db2.gz ZLGQRPGZTMPVFL-DTWKUNHWSA-N -1 3 224.308 0.966 20 0 BCADHM C[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000091581439 345599156 /nfs/dbraw/zinc/59/91/56/345599156.db2.gz APVVOUCXBDNMGM-HTQZYQBOSA-N -1 3 210.281 0.718 20 0 BCADHM COCCCCS(=O)(=O)[N-][C@@H](C)C(F)F ZINC000641701095 362611591 /nfs/dbraw/zinc/61/15/91/362611591.db2.gz CTVPRXDVPOWJDY-ZETCQYMHSA-N -1 3 245.291 0.986 20 0 BCADHM COC[C@H](C)CS(=O)(=O)[N-][C@H](C)C(F)F ZINC000641701737 362614360 /nfs/dbraw/zinc/61/43/60/362614360.db2.gz JQFVHRWYFGVTAH-NKWVEPMBSA-N -1 3 245.291 0.842 20 0 BCADHM Cc1nc(C[N-]S(=O)(=O)CC2CCC2)no1 ZINC000093002296 345647691 /nfs/dbraw/zinc/64/76/91/345647691.db2.gz PHFWJGKWXCNKEK-UHFFFAOYSA-N -1 3 245.304 0.598 20 0 BCADHM CC[C@@H](O)CCNC(=O)c1cc(=O)[n-]cn1 ZINC000626141519 345698363 /nfs/dbraw/zinc/69/83/63/345698363.db2.gz UULOTYCTSPTVQZ-SSDOTTSWSA-N -1 3 225.248 0.073 20 0 BCADHM C[C@H](O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095202992 345683127 /nfs/dbraw/zinc/68/31/27/345683127.db2.gz UFVJESRWGNOMBF-LURJTMIESA-N -1 3 233.231 0.186 20 0 BCADHM C[C@H](O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095202992 345683130 /nfs/dbraw/zinc/68/31/30/345683130.db2.gz UFVJESRWGNOMBF-LURJTMIESA-N -1 3 233.231 0.186 20 0 BCADHM Cc1cc(-c2nnn[n-]2)ccc1-n1cncn1 ZINC000095211066 345683183 /nfs/dbraw/zinc/68/31/83/345683183.db2.gz QLQNBPZYIYQSDA-UHFFFAOYSA-N -1 3 227.231 0.756 20 0 BCADHM Cc1cc(-c2nn[n-]n2)ccc1-n1cncn1 ZINC000095211066 345683186 /nfs/dbraw/zinc/68/31/86/345683186.db2.gz QLQNBPZYIYQSDA-UHFFFAOYSA-N -1 3 227.231 0.756 20 0 BCADHM NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095233176 345684205 /nfs/dbraw/zinc/68/42/05/345684205.db2.gz OCIOOMRARQKRMA-UHFFFAOYSA-N -1 3 204.193 0.357 20 0 BCADHM NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095233176 345684206 /nfs/dbraw/zinc/68/42/06/345684206.db2.gz OCIOOMRARQKRMA-UHFFFAOYSA-N -1 3 204.193 0.357 20 0 BCADHM C[C@@H](NC(=O)c1cc(F)c[n-]c1=O)C(C)(C)O ZINC000635635141 345908985 /nfs/dbraw/zinc/90/89/85/345908985.db2.gz IBSVKRSYLXSPDX-ZCFIWIBFSA-N -1 3 242.250 0.816 20 0 BCADHM C[C@H](NC(=O)c1cc(F)c[n-]c1=O)C(C)(C)O ZINC000635635136 345909011 /nfs/dbraw/zinc/90/90/11/345909011.db2.gz IBSVKRSYLXSPDX-LURJTMIESA-N -1 3 242.250 0.816 20 0 BCADHM CCC[C@H](NC(=O)[C@@H](C)N(C)C)c1nnn[n-]1 ZINC000635659390 345938298 /nfs/dbraw/zinc/93/82/98/345938298.db2.gz NVBXJGCEYUHURV-SFYZADRCSA-N -1 3 240.311 0.107 20 0 BCADHM CCC[C@H](NC(=O)[C@@H](C)N(C)C)c1nn[n-]n1 ZINC000635659390 345938299 /nfs/dbraw/zinc/93/82/99/345938299.db2.gz NVBXJGCEYUHURV-SFYZADRCSA-N -1 3 240.311 0.107 20 0 BCADHM O=C(CNC(=O)c1cc(F)c[n-]c1=O)C1CC1 ZINC000635759785 346052859 /nfs/dbraw/zinc/05/28/59/346052859.db2.gz HTBFVLOYUCKFRV-UHFFFAOYSA-N -1 3 238.218 0.635 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CC(CCO)C1 ZINC000635768711 346058748 /nfs/dbraw/zinc/05/87/48/346058748.db2.gz SDMISAMHDNWJTQ-UHFFFAOYSA-N -1 3 240.234 0.381 20 0 BCADHM Cc1cc(C)nc(N(C)C[C@@H](C)c2nnn[n-]2)n1 ZINC000095331644 346037755 /nfs/dbraw/zinc/03/77/55/346037755.db2.gz NSAZPHCVODXRAL-SSDOTTSWSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1cc(C)nc(N(C)C[C@@H](C)c2nn[n-]n2)n1 ZINC000095331644 346037758 /nfs/dbraw/zinc/03/77/58/346037758.db2.gz NSAZPHCVODXRAL-SSDOTTSWSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1nc[nH]c1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000635935397 346113982 /nfs/dbraw/zinc/11/39/82/346113982.db2.gz MEWCGPUXFIXOQY-UHFFFAOYSA-N -1 3 249.274 0.104 20 0 BCADHM CN(C(=O)c1cc(F)c[n-]c1=O)C1(CO)CC1 ZINC000635921695 346114506 /nfs/dbraw/zinc/11/45/06/346114506.db2.gz MXYKZKLAOIEMOK-UHFFFAOYSA-N -1 3 240.234 0.523 20 0 BCADHM CCN(C(=O)c1cc(F)c[n-]c1=O)[C@@H](C)CO ZINC000635967953 346126988 /nfs/dbraw/zinc/12/69/88/346126988.db2.gz NVGYDPRWPNBAGL-ZETCQYMHSA-N -1 3 242.250 0.769 20 0 BCADHM Cc1cccc(C(=O)N2CC(=O)N(C)C2)c1[O-] ZINC000336539353 179006919 /nfs/dbraw/zinc/00/69/19/179006919.db2.gz SWKREVKDGBBVQB-UHFFFAOYSA-N -1 3 234.255 0.572 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3[C@@H]4CCC[C@@H]43)c1-2 ZINC000381525349 346249521 /nfs/dbraw/zinc/24/95/21/346249521.db2.gz WHXUGAPRBKLEQD-SRSLHRDFSA-N -1 3 215.260 0.937 20 0 BCADHM Cc1cccc(C(=O)NCc2ncn(C)n2)c1[O-] ZINC000091869132 179019135 /nfs/dbraw/zinc/01/91/35/179019135.db2.gz YQOKBGWGBHTZGY-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CC[C@H](CSC)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000162152795 346373126 /nfs/dbraw/zinc/37/31/26/346373126.db2.gz ZFPTWDPIGCGWMD-SSDOTTSWSA-N -1 3 249.361 0.830 20 0 BCADHM CC(=O)CCC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636282940 346376619 /nfs/dbraw/zinc/37/66/19/346376619.db2.gz XZVHRYMEJYVNBO-UHFFFAOYSA-N -1 3 249.270 0.702 20 0 BCADHM O=C(C[N-]c1nnc(C2CC2)o1)NCC1CC1 ZINC000333024854 537975144 /nfs/dbraw/zinc/97/51/44/537975144.db2.gz GDAFGGDXXNPGBL-UHFFFAOYSA-N -1 3 236.275 0.885 20 0 BCADHM CCOC(=O)c1ncc(NC(=O)COC)[n-]1 ZINC000617872723 346391018 /nfs/dbraw/zinc/39/10/18/346391018.db2.gz YDIXVBGSVOMGPF-UHFFFAOYSA-N -1 3 227.220 0.171 20 0 BCADHM CCOC(=O)c1nc(NC(=O)COC)c[n-]1 ZINC000617872723 346391020 /nfs/dbraw/zinc/39/10/20/346391020.db2.gz YDIXVBGSVOMGPF-UHFFFAOYSA-N -1 3 227.220 0.171 20 0 BCADHM CCCCO[C@@H](C)C(=O)[N-]c1nncn1C ZINC000162995527 346544465 /nfs/dbraw/zinc/54/44/65/346544465.db2.gz ANOYCLJBMRXKJZ-QMMMGPOBSA-N -1 3 226.280 0.959 20 0 BCADHM COCC1(CC(=O)Nc2n[n-]c(OC)n2)CC1 ZINC000401280948 346553894 /nfs/dbraw/zinc/55/38/94/346553894.db2.gz RRBIUEWYVMPSDY-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COCC1(CC(=O)Nc2nnc(OC)[n-]2)CC1 ZINC000401280948 346553896 /nfs/dbraw/zinc/55/38/96/346553896.db2.gz RRBIUEWYVMPSDY-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM COCC1(CC(=O)Nc2nc(OC)n[n-]2)CC1 ZINC000401280948 346553899 /nfs/dbraw/zinc/55/38/99/346553899.db2.gz RRBIUEWYVMPSDY-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CS(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000589149499 346667348 /nfs/dbraw/zinc/66/73/48/346667348.db2.gz KERFXKGCQPYOIO-UHFFFAOYSA-N -1 3 238.272 0.639 20 0 BCADHM CCn1nc(C)c(CNC(=O)c2c[n-]nn2)c1C ZINC000589553850 346712613 /nfs/dbraw/zinc/71/26/13/346712613.db2.gz GFMQLTLNWDVUBO-UHFFFAOYSA-N -1 3 248.290 0.568 20 0 BCADHM CCn1nc(C)c(CNC(=O)c2cnn[n-]2)c1C ZINC000589553850 346712614 /nfs/dbraw/zinc/71/26/14/346712614.db2.gz GFMQLTLNWDVUBO-UHFFFAOYSA-N -1 3 248.290 0.568 20 0 BCADHM CCn1nc(C)c(CNC(=O)c2cn[n-]n2)c1C ZINC000589553850 346712616 /nfs/dbraw/zinc/71/26/16/346712616.db2.gz GFMQLTLNWDVUBO-UHFFFAOYSA-N -1 3 248.290 0.568 20 0 BCADHM Cn1ccc(C(=O)Nc2ncccc2[O-])n1 ZINC000589683041 346725876 /nfs/dbraw/zinc/72/58/76/346725876.db2.gz LPBRFOQMKJFIIR-UHFFFAOYSA-N -1 3 218.216 0.773 20 0 BCADHM Cc1cccc(NCCCc2nc(=O)[n-][nH]2)n1 ZINC000128027104 179145461 /nfs/dbraw/zinc/14/54/61/179145461.db2.gz KKKKKBYUVRRSOS-UHFFFAOYSA-N -1 3 233.275 0.846 20 0 BCADHM C[C@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@@H]1O ZINC000387841716 347110765 /nfs/dbraw/zinc/11/07/65/347110765.db2.gz GFSHUWMABMKAMU-CPCISQLKSA-N -1 3 237.255 0.551 20 0 BCADHM CC(C)(O)CNC(=O)c1cccc2nn[n-]c21 ZINC000188231293 346795636 /nfs/dbraw/zinc/79/56/36/346795636.db2.gz ZCYWRNZWXUGTIL-UHFFFAOYSA-N -1 3 234.259 0.459 20 0 BCADHM CC(C)(O)CNC(=O)c1cccc2[n-]nnc21 ZINC000188231293 346795639 /nfs/dbraw/zinc/79/56/39/346795639.db2.gz ZCYWRNZWXUGTIL-UHFFFAOYSA-N -1 3 234.259 0.459 20 0 BCADHM CC(C)(O)CNC(=O)c1cccc2n[n-]nc21 ZINC000188231293 346795643 /nfs/dbraw/zinc/79/56/43/346795643.db2.gz ZCYWRNZWXUGTIL-UHFFFAOYSA-N -1 3 234.259 0.459 20 0 BCADHM CC[C@@H](SC)C(=O)Nc1nnc(OC)[n-]1 ZINC000182987754 347114595 /nfs/dbraw/zinc/11/45/95/347114595.db2.gz ZLKVQXPYDONGBT-RXMQYKEDSA-N -1 3 230.293 0.893 20 0 BCADHM CC[C@@H](SC)C(=O)Nc1n[n-]c(OC)n1 ZINC000182987754 347114599 /nfs/dbraw/zinc/11/45/99/347114599.db2.gz ZLKVQXPYDONGBT-RXMQYKEDSA-N -1 3 230.293 0.893 20 0 BCADHM CC[C@@H](SC)C(=O)Nc1nc(OC)n[n-]1 ZINC000182987754 347114602 /nfs/dbraw/zinc/11/46/02/347114602.db2.gz ZLKVQXPYDONGBT-RXMQYKEDSA-N -1 3 230.293 0.893 20 0 BCADHM CSCC[N-]S(=O)(=O)c1conc1C ZINC000601289043 347156615 /nfs/dbraw/zinc/15/66/15/347156615.db2.gz GPIRRGJDLYFJHA-UHFFFAOYSA-N -1 3 236.318 0.624 20 0 BCADHM CC(C)N1CC(NC(=O)Cc2cncc([O-])c2)C1 ZINC000582073013 347173211 /nfs/dbraw/zinc/17/32/11/347173211.db2.gz PPLLPIQFWRYVAC-UHFFFAOYSA-N -1 3 249.314 0.539 20 0 BCADHM Cc1cccc([C@@H](O)CNC(=O)c2c[n-]nn2)c1 ZINC000153717020 179188657 /nfs/dbraw/zinc/18/86/57/179188657.db2.gz MTGUTIXVFXRAOE-NSHDSACASA-N -1 3 246.270 0.577 20 0 BCADHM Cc1cccc([C@@H](O)CNC(=O)c2cnn[n-]2)c1 ZINC000153717020 179188659 /nfs/dbraw/zinc/18/86/59/179188659.db2.gz MTGUTIXVFXRAOE-NSHDSACASA-N -1 3 246.270 0.577 20 0 BCADHM Cc1cccc([C@@H](O)CNC(=O)c2cn[n-]n2)c1 ZINC000153717020 179188660 /nfs/dbraw/zinc/18/86/60/179188660.db2.gz MTGUTIXVFXRAOE-NSHDSACASA-N -1 3 246.270 0.577 20 0 BCADHM CC(C)(C)OC[C@@H](O)CN1CCC[C@H]1C(=O)[O-] ZINC000571337729 323141851 /nfs/dbraw/zinc/14/18/51/323141851.db2.gz RUPMETFLAXBYSQ-UWVGGRQHSA-N -1 3 245.319 0.711 20 0 BCADHM COCC(COC)NC(=O)c1ccccc1[O-] ZINC000388461595 347417230 /nfs/dbraw/zinc/41/72/30/347417230.db2.gz ZHZAIXDWALBVCF-UHFFFAOYSA-N -1 3 239.271 0.783 20 0 BCADHM COc1nnc(NC(=O)C2=CCOCC2)[n-]1 ZINC000356589114 187377584 /nfs/dbraw/zinc/37/75/84/187377584.db2.gz BRYQYHNRIGWRSA-UHFFFAOYSA-N -1 3 224.220 0.099 20 0 BCADHM COc1nc(NC(=O)C2=CCOCC2)n[n-]1 ZINC000356589114 187377586 /nfs/dbraw/zinc/37/75/86/187377586.db2.gz BRYQYHNRIGWRSA-UHFFFAOYSA-N -1 3 224.220 0.099 20 0 BCADHM COc1n[n-]c(NC(=O)C2=CCOCC2)n1 ZINC000356589114 187377588 /nfs/dbraw/zinc/37/75/88/187377588.db2.gz BRYQYHNRIGWRSA-UHFFFAOYSA-N -1 3 224.220 0.099 20 0 BCADHM CC(C)[C@@H](N=c1ncnc2[nH][n-]cc1-2)C(C)(C)O ZINC000357744593 187377735 /nfs/dbraw/zinc/37/77/35/187377735.db2.gz IJBVANVPISZAPV-SECBINFHSA-N -1 3 249.318 0.934 20 0 BCADHM O=C(NCc1cocn1)c1ccc2n[n-]nc2c1 ZINC000593985090 347978801 /nfs/dbraw/zinc/97/88/01/347978801.db2.gz ORYYEZUGQZVSHU-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM CN(CCCO)C(=O)c1cccc2[n-]nnc21 ZINC000577455524 365956125 /nfs/dbraw/zinc/95/61/25/365956125.db2.gz RNYGWZDRCBDTGV-UHFFFAOYSA-N -1 3 234.259 0.412 20 0 BCADHM CN(CCCO)C(=O)c1cccc2nn[n-]c21 ZINC000577455524 365956132 /nfs/dbraw/zinc/95/61/32/365956132.db2.gz RNYGWZDRCBDTGV-UHFFFAOYSA-N -1 3 234.259 0.412 20 0 BCADHM CN(CCCO)C(=O)c1cccc2n[n-]nc21 ZINC000577455524 365956137 /nfs/dbraw/zinc/95/61/37/365956137.db2.gz RNYGWZDRCBDTGV-UHFFFAOYSA-N -1 3 234.259 0.412 20 0 BCADHM CC[C@@H](CO)NC(=O)/C=C/c1cncc([O-])c1 ZINC000188269444 259403856 /nfs/dbraw/zinc/40/38/56/259403856.db2.gz KTRCQLJKQHDPHN-FSIBCCDJSA-N -1 3 236.271 0.688 20 0 BCADHM CC(=O)C[C@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000626233854 348714813 /nfs/dbraw/zinc/71/48/13/348714813.db2.gz HEPGZVJIKJOKNW-LURJTMIESA-N -1 3 223.232 0.280 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C2(C3CC3)CC2)c1 ZINC000532113203 323206289 /nfs/dbraw/zinc/20/62/89/323206289.db2.gz ANNUKFPDODUGAY-UHFFFAOYSA-N -1 3 241.316 0.641 20 0 BCADHM CN1CCN(CC(=O)Nc2ccccc2[O-])CC1 ZINC000599296635 349150514 /nfs/dbraw/zinc/15/05/14/349150514.db2.gz BTXAUZIFMIMLTB-UHFFFAOYSA-N -1 3 249.314 0.578 20 0 BCADHM CCc1nnc(CNC(=O)c2cc(=O)[n-]cn2)o1 ZINC000626265867 350101986 /nfs/dbraw/zinc/10/19/86/350101986.db2.gz HPCKGAPZDIQTRM-UHFFFAOYSA-N -1 3 249.230 0.058 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]CC2CC2)cn1C ZINC000170731681 180028504 /nfs/dbraw/zinc/02/85/04/180028504.db2.gz SAYWVUZJNCEKHW-UHFFFAOYSA-N -1 3 229.305 0.417 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)cn1C ZINC000264163870 180028985 /nfs/dbraw/zinc/02/89/85/180028985.db2.gz YLMWHYFOFCOJKM-VXNVDRBHSA-N -1 3 243.332 0.663 20 0 BCADHM Cc1nc(S(=O)(=O)[N-]CC[C@H](C)F)cn1C ZINC000339035333 180029067 /nfs/dbraw/zinc/02/90/67/180029067.db2.gz WDKUADHMDHBVHZ-ZETCQYMHSA-N -1 3 249.311 0.755 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C1CC1 ZINC000176052702 180027169 /nfs/dbraw/zinc/02/71/69/180027169.db2.gz YOTMBJUDSQDUKI-UHFFFAOYSA-N -1 3 209.205 0.545 20 0 BCADHM C[C@@H]1CCN(C)CCN1C(=O)c1ncccc1[O-] ZINC000426825246 191047688 /nfs/dbraw/zinc/04/76/88/191047688.db2.gz ACMJKPAKKSNECM-SNVBAGLBSA-N -1 3 249.314 0.953 20 0 BCADHM Cc1cnc(C(=O)NC[C@H]2CCCN2C)c([O-])c1 ZINC000426852282 191046924 /nfs/dbraw/zinc/04/69/24/191046924.db2.gz YLCBEBBCQSVJCU-SNVBAGLBSA-N -1 3 249.314 0.920 20 0 BCADHM Cc1ncc(C(=O)[N-]c2ncn(C)n2)s1 ZINC000293790841 180135713 /nfs/dbraw/zinc/13/57/13/180135713.db2.gz XISADRICECNXBC-UHFFFAOYSA-N -1 3 223.261 0.832 20 0 BCADHM COc1ccc([O-])c(C(=O)N2CC(O)C2)c1 ZINC000062809085 187440585 /nfs/dbraw/zinc/44/05/85/187440585.db2.gz IBSXAVLNTKZNFW-UHFFFAOYSA-N -1 3 223.228 0.218 20 0 BCADHM Cc1ncc(CNCc2cc[nH]n2)c(=O)[n-]1 ZINC000309725843 180152914 /nfs/dbraw/zinc/15/29/14/180152914.db2.gz XXACWSUYTWVASG-UHFFFAOYSA-N -1 3 219.248 0.504 20 0 BCADHM COc1nc(NC(=O)C(C)(C)OC(C)C)n[n-]1 ZINC000384119601 350212551 /nfs/dbraw/zinc/21/25/51/350212551.db2.gz MKNBKJDCWJPWNU-UHFFFAOYSA-N -1 3 242.279 0.955 20 0 BCADHM COc1nnc(NC(=O)C(C)(C)OC(C)C)[n-]1 ZINC000384119601 350212554 /nfs/dbraw/zinc/21/25/54/350212554.db2.gz MKNBKJDCWJPWNU-UHFFFAOYSA-N -1 3 242.279 0.955 20 0 BCADHM COc1n[n-]c(NC(=O)C(C)(C)OC(C)C)n1 ZINC000384119601 350212557 /nfs/dbraw/zinc/21/25/57/350212557.db2.gz MKNBKJDCWJPWNU-UHFFFAOYSA-N -1 3 242.279 0.955 20 0 BCADHM Cc1nccn1CCCCNC(=O)c1c[n-]nn1 ZINC000129839071 180235171 /nfs/dbraw/zinc/23/51/71/180235171.db2.gz OZKKKUNVHMZKFE-UHFFFAOYSA-N -1 3 248.290 0.520 20 0 BCADHM Cc1nccn1CCCCNC(=O)c1cnn[n-]1 ZINC000129839071 180235173 /nfs/dbraw/zinc/23/51/73/180235173.db2.gz OZKKKUNVHMZKFE-UHFFFAOYSA-N -1 3 248.290 0.520 20 0 BCADHM Cc1nccn1CCCCNC(=O)c1cn[n-]n1 ZINC000129839071 180235175 /nfs/dbraw/zinc/23/51/75/180235175.db2.gz OZKKKUNVHMZKFE-UHFFFAOYSA-N -1 3 248.290 0.520 20 0 BCADHM C[C@H](Cc1cccc(O)c1)NC(=O)c1c[n-]nn1 ZINC000427639213 191085758 /nfs/dbraw/zinc/08/57/58/191085758.db2.gz YIQLMODHIUKGMO-MRVPVSSYSA-N -1 3 246.270 0.871 20 0 BCADHM C[C@H](Cc1cccc(O)c1)NC(=O)c1cnn[n-]1 ZINC000427639213 191085760 /nfs/dbraw/zinc/08/57/60/191085760.db2.gz YIQLMODHIUKGMO-MRVPVSSYSA-N -1 3 246.270 0.871 20 0 BCADHM C[C@H](Cc1cccc(O)c1)NC(=O)c1cn[n-]n1 ZINC000427639213 191085761 /nfs/dbraw/zinc/08/57/61/191085761.db2.gz YIQLMODHIUKGMO-MRVPVSSYSA-N -1 3 246.270 0.871 20 0 BCADHM C[C@@H](CC(=O)[O-])NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000427718361 191089699 /nfs/dbraw/zinc/08/96/99/191089699.db2.gz MBWUPXFDOLSTHL-LPEHRKFASA-N -1 3 242.319 0.839 20 0 BCADHM CCCC(C)(C)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000050808475 350391509 /nfs/dbraw/zinc/39/15/09/350391509.db2.gz LFYXUTRZLFHOOS-ZETCQYMHSA-N -1 3 241.291 0.279 20 0 BCADHM Cn1c([N-]C(=O)c2cnco2)nnc1C1CC1 ZINC000617286351 350677942 /nfs/dbraw/zinc/67/79/42/350677942.db2.gz LMHPHJLQTIHROA-UHFFFAOYSA-N -1 3 233.231 0.933 20 0 BCADHM CC(C)CN1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000035305549 358457847 /nfs/dbraw/zinc/45/78/47/358457847.db2.gz FEFIISUKRAVQCB-LLVKDONJSA-N -1 3 244.335 0.360 20 0 BCADHM O=C(N[C@@H](CO)C1CCC1)c1csc(=O)[n-]1 ZINC000617310101 350719573 /nfs/dbraw/zinc/71/95/73/350719573.db2.gz PGCDCGJMZDAUAG-ZETCQYMHSA-N -1 3 242.300 0.740 20 0 BCADHM Cc1c(CNC(=O)c2cc(=O)[n-]cn2)cnn1C ZINC000626282658 350841336 /nfs/dbraw/zinc/84/13/36/350841336.db2.gz JENRIKITCBIREM-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM CC(C)(CCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626297781 350908374 /nfs/dbraw/zinc/90/83/74/350908374.db2.gz SMYCXBDDSWGXRG-UHFFFAOYSA-N -1 3 225.248 0.073 20 0 BCADHM O=C(N[C@H]1CCCOCC1)c1cc(=O)[n-]cn1 ZINC000626372846 351007829 /nfs/dbraw/zinc/00/78/29/351007829.db2.gz VNVIVRBUOSVYHV-QMMMGPOBSA-N -1 3 237.259 0.481 20 0 BCADHM CCO[C@@H](C(=O)Nc1n[n-]c(OC)n1)C(C)C ZINC000626333205 350983249 /nfs/dbraw/zinc/98/32/49/350983249.db2.gz DHRMHEWESRZPRA-SSDOTTSWSA-N -1 3 242.279 0.813 20 0 BCADHM CCO[C@@H](C(=O)Nc1nnc(OC)[n-]1)C(C)C ZINC000626333205 350983251 /nfs/dbraw/zinc/98/32/51/350983251.db2.gz DHRMHEWESRZPRA-SSDOTTSWSA-N -1 3 242.279 0.813 20 0 BCADHM CCO[C@@H](C(=O)Nc1nc(OC)n[n-]1)C(C)C ZINC000626333205 350983254 /nfs/dbraw/zinc/98/32/54/350983254.db2.gz DHRMHEWESRZPRA-SSDOTTSWSA-N -1 3 242.279 0.813 20 0 BCADHM CCC[C@](C)(CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626387601 351023419 /nfs/dbraw/zinc/02/34/19/351023419.db2.gz DIGUIMAARQTZOL-LLVKDONJSA-N -1 3 239.275 0.463 20 0 BCADHM Cc1cccc(C(=O)NC[C@H]2CNC(=O)C2)c1[O-] ZINC000398327639 351034521 /nfs/dbraw/zinc/03/45/21/351034521.db2.gz GIBOOKJFKFAESZ-SECBINFHSA-N -1 3 248.282 0.567 20 0 BCADHM CCN(C)S(=O)(=O)[N-]c1cnn(CC)c1 ZINC000072758718 351478992 /nfs/dbraw/zinc/47/89/92/351478992.db2.gz DCFUECCHHDENCK-UHFFFAOYSA-N -1 3 232.309 0.511 20 0 BCADHM CC1(C)SC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000626973005 363072753 /nfs/dbraw/zinc/07/27/53/363072753.db2.gz PEOQOAYSGQOGAD-ZETCQYMHSA-N -1 3 239.300 0.806 20 0 BCADHM Cn1cc(CNC2(C(=O)[O-])CCC2)cn1 ZINC000088049683 351531103 /nfs/dbraw/zinc/53/11/03/351531103.db2.gz OHIFRQLUROICNF-UHFFFAOYSA-N -1 3 209.249 0.517 20 0 BCADHM c1[n-][nH]c2ncnc(=NC[C@@H]3CC34CC4)c1-2 ZINC000577711332 366041116 /nfs/dbraw/zinc/04/11/16/366041116.db2.gz VYWGYMJEWMEWMB-ZETCQYMHSA-N -1 3 215.260 0.938 20 0 BCADHM O=C(NCCOCC(F)(F)F)c1c[n-]nn1 ZINC000088342116 351767484 /nfs/dbraw/zinc/76/74/84/351767484.db2.gz OBIVSMXFXREIGI-UHFFFAOYSA-N -1 3 238.169 0.113 20 0 BCADHM O=C(NCCOCC(F)(F)F)c1cnn[n-]1 ZINC000088342116 351767486 /nfs/dbraw/zinc/76/74/86/351767486.db2.gz OBIVSMXFXREIGI-UHFFFAOYSA-N -1 3 238.169 0.113 20 0 BCADHM O=C(NCCOCC(F)(F)F)c1cn[n-]n1 ZINC000088342116 351767489 /nfs/dbraw/zinc/76/74/89/351767489.db2.gz OBIVSMXFXREIGI-UHFFFAOYSA-N -1 3 238.169 0.113 20 0 BCADHM COCC[C@@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000340079786 351882209 /nfs/dbraw/zinc/88/22/09/351882209.db2.gz GCXFCTOFKNNDAD-SECBINFHSA-N -1 3 244.316 0.785 20 0 BCADHM O=C(C[C@H]1CC(=O)N1)Nc1ccc([O-])cc1F ZINC000613329886 363111084 /nfs/dbraw/zinc/11/10/84/363111084.db2.gz BTFKTUAYSBCMSJ-ZCFIWIBFSA-N -1 3 238.218 0.748 20 0 BCADHM C[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC000307447596 352602910 /nfs/dbraw/zinc/60/29/10/352602910.db2.gz JYCGNHVPKYGOEB-UHFFFAOYSA-N -1 3 220.681 0.952 20 0 BCADHM O=C(Nc1nnn[n-]1)c1cc(F)cc2nc[nH]c21 ZINC000342856818 352877220 /nfs/dbraw/zinc/87/72/20/352877220.db2.gz HZQARYVMZMTWFC-UHFFFAOYSA-N -1 3 247.193 0.467 20 0 BCADHM COc1nc(NC(=O)[C@@]2(C)C[C@H]2F)n[n-]1 ZINC000331579767 188097673 /nfs/dbraw/zinc/09/76/73/188097673.db2.gz ZUJLZJMNWMEJAT-VHWMUFPASA-N -1 3 214.200 0.500 20 0 BCADHM COc1nnc(NC(=O)[C@@]2(C)C[C@H]2F)[n-]1 ZINC000331579767 188097675 /nfs/dbraw/zinc/09/76/75/188097675.db2.gz ZUJLZJMNWMEJAT-VHWMUFPASA-N -1 3 214.200 0.500 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@]2(C)C[C@H]2F)n1 ZINC000331579767 188097676 /nfs/dbraw/zinc/09/76/76/188097676.db2.gz ZUJLZJMNWMEJAT-VHWMUFPASA-N -1 3 214.200 0.500 20 0 BCADHM CC(C)(CO)NC(=O)c1ccc(O)cc1[O-] ZINC000035608737 188111591 /nfs/dbraw/zinc/11/15/91/188111591.db2.gz KMUPGNGWUMXTLG-UHFFFAOYSA-N -1 3 225.244 0.599 20 0 BCADHM CC(=O)[N-]OCc1noc(C(C)(C)C)n1 ZINC000178195655 188166417 /nfs/dbraw/zinc/16/64/17/188166417.db2.gz MLCYBSNEXNTFGE-UHFFFAOYSA-N -1 3 213.237 0.935 20 0 BCADHM Cc1cccc(S(=O)(=O)[N-]CCO)c1F ZINC000181304388 188168446 /nfs/dbraw/zinc/16/84/46/188168446.db2.gz BELXZJXTCVAVRR-UHFFFAOYSA-N -1 3 233.264 0.405 20 0 BCADHM CC(C)CS(=O)(=O)[N-]C[C@@H](O)C(F)(F)F ZINC000228542566 188183793 /nfs/dbraw/zinc/18/37/93/188183793.db2.gz YIOOKMFVFHBYBH-ZCFIWIBFSA-N -1 3 249.254 0.485 20 0 BCADHM CC(C)(CO)[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC000339727507 188192693 /nfs/dbraw/zinc/19/26/93/188192693.db2.gz FAXLTSXZTWZAFH-VIFPVBQESA-N -1 3 240.307 0.397 20 0 BCADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000297834383 188215364 /nfs/dbraw/zinc/21/53/64/188215364.db2.gz QVVGRGDQXIQHIQ-NTSWFWBYSA-N -1 3 237.263 0.134 20 0 BCADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000297834383 188215365 /nfs/dbraw/zinc/21/53/65/188215365.db2.gz QVVGRGDQXIQHIQ-NTSWFWBYSA-N -1 3 237.263 0.134 20 0 BCADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000297834383 188215367 /nfs/dbraw/zinc/21/53/67/188215367.db2.gz QVVGRGDQXIQHIQ-NTSWFWBYSA-N -1 3 237.263 0.134 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C(=O)NC2CC2)n1 ZINC000280171533 188204857 /nfs/dbraw/zinc/20/48/57/188204857.db2.gz SFIRFQYQDYTCOX-UHFFFAOYSA-N -1 3 235.243 0.313 20 0 BCADHM CC(C)(O)C(=O)[N-]c1nncn1C1CC1 ZINC000285936829 188208172 /nfs/dbraw/zinc/20/81/72/188208172.db2.gz UOYAYVOMUIWXEN-UHFFFAOYSA-N -1 3 210.237 0.322 20 0 BCADHM CC(C)=CCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000336373816 188229322 /nfs/dbraw/zinc/22/93/22/188229322.db2.gz PGCSGZCEWRXGAR-VIFPVBQESA-N -1 3 223.276 0.189 20 0 BCADHM Cc1cnc(C(=O)N(C)CCN(C)C)c([O-])c1 ZINC000331216373 188231150 /nfs/dbraw/zinc/23/11/50/188231150.db2.gz VUIVOJCWIUYMEH-UHFFFAOYSA-N -1 3 237.303 0.729 20 0 BCADHM CC(C)C[C@@H](NC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000185320028 188224563 /nfs/dbraw/zinc/22/45/63/188224563.db2.gz CXXLYJGIIJJTBV-SNVBAGLBSA-N -1 3 244.335 0.942 20 0 BCADHM C[C@@H]1C[C@H]1C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225903574 538114596 /nfs/dbraw/zinc/11/45/96/538114596.db2.gz RQZYPKWYLTYTHP-RKDXNWHRSA-N -1 3 228.292 0.117 20 0 BCADHM CC1=C(C)CN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000334534811 353914724 /nfs/dbraw/zinc/91/47/24/353914724.db2.gz HFFJASAPPDWYCW-UHFFFAOYSA-N -1 3 222.292 0.651 20 0 BCADHM CCc1nocc1C(=O)[N-]c1nnc(C)n1C ZINC000613454007 363281297 /nfs/dbraw/zinc/28/12/97/363281297.db2.gz SGZILOGSHCJSBM-UHFFFAOYSA-N -1 3 235.247 0.926 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CC[C@@H](O)C1 ZINC000343858871 354024107 /nfs/dbraw/zinc/02/41/07/354024107.db2.gz YDAHLSXZMRCMSS-JGVFFNPUSA-N -1 3 222.244 0.887 20 0 BCADHM CO[C@H](C)CN(C)C(=O)c1csc(=O)[n-]1 ZINC000343865487 354026276 /nfs/dbraw/zinc/02/62/76/354026276.db2.gz LVOPGYWKNVIRMB-ZCFIWIBFSA-N -1 3 230.289 0.956 20 0 BCADHM O=C(CCc1cncnc1)Nc1ccncc1[O-] ZINC000344201510 354162635 /nfs/dbraw/zinc/16/26/35/354162635.db2.gz YBRYCDPAFWQGGO-UHFFFAOYSA-N -1 3 244.254 0.570 20 0 BCADHM Cn1cccc1CNC(=O)c1c[n-]nn1 ZINC000231690382 363349971 /nfs/dbraw/zinc/34/99/71/363349971.db2.gz OAWZBCDFRVYVLL-UHFFFAOYSA-N -1 3 205.221 0.073 20 0 BCADHM Cn1cccc1CNC(=O)c1cnn[n-]1 ZINC000231690382 363349976 /nfs/dbraw/zinc/34/99/76/363349976.db2.gz OAWZBCDFRVYVLL-UHFFFAOYSA-N -1 3 205.221 0.073 20 0 BCADHM Cn1cccc1CNC(=O)c1cn[n-]n1 ZINC000231690382 363349978 /nfs/dbraw/zinc/34/99/78/363349978.db2.gz OAWZBCDFRVYVLL-UHFFFAOYSA-N -1 3 205.221 0.073 20 0 BCADHM CN(C(=O)c1cc(=O)[n-]cn1)[C@@H]1CCCOC1 ZINC000627137706 363357796 /nfs/dbraw/zinc/35/77/96/363357796.db2.gz IZLGTEQRVBDOSO-MRVPVSSYSA-N -1 3 237.259 0.433 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)CCOC(C)C ZINC000344539611 354286173 /nfs/dbraw/zinc/28/61/73/354286173.db2.gz PCGOYUIPGABXEY-UHFFFAOYSA-N -1 3 237.321 0.310 20 0 BCADHM Cn1cc(C(=O)NCC(C)(C)C)c(=O)[n-]c1=O ZINC000334674220 354416874 /nfs/dbraw/zinc/41/68/74/354416874.db2.gz GZCRYZSROGBZEG-UHFFFAOYSA-N -1 3 239.275 0.262 20 0 BCADHM O=S(=O)([N-][C@@H]1CCOC1)c1cncc(F)c1 ZINC000345361279 354632346 /nfs/dbraw/zinc/63/23/46/354632346.db2.gz YGLFAAKUGJDZRS-MRVPVSSYSA-N -1 3 246.263 0.288 20 0 BCADHM COCc1cc(C(=O)Nc2ccncc2[O-])no1 ZINC000345376094 354657319 /nfs/dbraw/zinc/65/73/19/354657319.db2.gz DRWCWGWBODXTBX-UHFFFAOYSA-N -1 3 249.226 0.596 20 0 BCADHM CC[C@@H](NC(=O)c1c[n-]nn1)[C@H](O)C(C)C ZINC000412760401 191311511 /nfs/dbraw/zinc/31/15/11/191311511.db2.gz WSXQHFOTJYQJHH-VXNVDRBHSA-N -1 3 226.280 0.330 20 0 BCADHM CC[C@@H](NC(=O)c1cnn[n-]1)[C@H](O)C(C)C ZINC000412760401 191311514 /nfs/dbraw/zinc/31/15/14/191311514.db2.gz WSXQHFOTJYQJHH-VXNVDRBHSA-N -1 3 226.280 0.330 20 0 BCADHM CC[C@@H](NC(=O)c1cn[n-]n1)[C@H](O)C(C)C ZINC000412760401 191311515 /nfs/dbraw/zinc/31/15/15/191311515.db2.gz WSXQHFOTJYQJHH-VXNVDRBHSA-N -1 3 226.280 0.330 20 0 BCADHM Cn1[n-]c(CN2CC[C@@H](C3CC3)C2)nc1=O ZINC000335136320 354786016 /nfs/dbraw/zinc/78/60/16/354786016.db2.gz URDHSNSOBXEPSB-SECBINFHSA-N -1 3 222.292 0.340 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CNC(=O)C2)n1 ZINC000345943969 354815946 /nfs/dbraw/zinc/81/59/46/354815946.db2.gz RSKXSINIPHKMPO-ZETCQYMHSA-N -1 3 235.243 0.170 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)c2ccc[nH]2)n1 ZINC000346251797 354879780 /nfs/dbraw/zinc/87/97/80/354879780.db2.gz KYMKEWHXRFGJDC-UHFFFAOYSA-N -1 3 249.230 0.101 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)c2ccc[nH]2)[n-]1 ZINC000346251797 354879781 /nfs/dbraw/zinc/87/97/81/354879781.db2.gz KYMKEWHXRFGJDC-UHFFFAOYSA-N -1 3 249.230 0.101 20 0 BCADHM COC(=O)Cc1nc(NC(=O)c2ccc[nH]2)n[n-]1 ZINC000346251797 354879783 /nfs/dbraw/zinc/87/97/83/354879783.db2.gz KYMKEWHXRFGJDC-UHFFFAOYSA-N -1 3 249.230 0.101 20 0 BCADHM COC(=O)c1ccc(C(=O)Nc2cncnc2)[n-]1 ZINC000346896397 355147320 /nfs/dbraw/zinc/14/73/20/355147320.db2.gz RGVULOXVYKKKSK-UHFFFAOYSA-N -1 3 246.226 0.844 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccn(C)n1 ZINC000413465455 191382807 /nfs/dbraw/zinc/38/28/07/191382807.db2.gz VGYLXHFDZVOTAE-ZETCQYMHSA-N -1 3 243.274 0.633 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2CNC(=O)C2)c([O-])c1C ZINC000335871843 355638806 /nfs/dbraw/zinc/63/88/06/355638806.db2.gz IPCRZJLAMOGNIV-SECBINFHSA-N -1 3 248.282 0.627 20 0 BCADHM C[C@@H]1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1 ZINC000335890273 355682632 /nfs/dbraw/zinc/68/26/32/355682632.db2.gz WDCJETMOAPBEGF-BDAKNGLRSA-N -1 3 224.308 0.729 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](O)C1 ZINC000035187180 355877287 /nfs/dbraw/zinc/87/72/87/355877287.db2.gz SVRBXQPGYNXXBE-VIFPVBQESA-N -1 3 246.270 0.555 20 0 BCADHM NC(=O)CO[N-]C(=O)Cc1ccc2c(c1)CCC2 ZINC000124270016 181238524 /nfs/dbraw/zinc/23/85/24/181238524.db2.gz MTYKHCULOGPCAG-UHFFFAOYSA-N -1 3 248.282 0.251 20 0 BCADHM COCCC(C)(C)N=c1ncnc2[nH][n-]cc1-2 ZINC000353260404 356050313 /nfs/dbraw/zinc/05/03/13/356050313.db2.gz BNWTYWZTTYUCNR-UHFFFAOYSA-N -1 3 235.291 0.953 20 0 BCADHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000351584099 356022178 /nfs/dbraw/zinc/02/21/78/356022178.db2.gz VXYSKZBAHMIPQW-UFUPEUMYSA-N -1 3 245.304 0.015 20 0 BCADHM CCN(C(=O)c1cncc([O-])c1)[C@@H]1CCN(C)C1 ZINC000617551496 356107296 /nfs/dbraw/zinc/10/72/96/356107296.db2.gz SJRQLEXXWMKOIF-LLVKDONJSA-N -1 3 249.314 0.953 20 0 BCADHM O=C(NCCO)c1c[n-]nc1-c1ccccn1 ZINC000351799374 356083086 /nfs/dbraw/zinc/08/30/86/356083086.db2.gz RLOVHGIYNNHKFQ-UHFFFAOYSA-N -1 3 232.243 0.194 20 0 BCADHM C[C@@H]1CCN(C(=O)c2csc(=O)[n-]2)[C@H]1CO ZINC000329920339 356144936 /nfs/dbraw/zinc/14/49/36/356144936.db2.gz GYJQTIOUWMQWLU-SVRRBLITSA-N -1 3 242.300 0.692 20 0 BCADHM NC(=O)N1CC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000357350480 181251624 /nfs/dbraw/zinc/25/16/24/181251624.db2.gz GIFXHIGIJHJTPQ-SECBINFHSA-N -1 3 249.270 0.275 20 0 BCADHM NC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000270789027 181260533 /nfs/dbraw/zinc/26/05/33/181260533.db2.gz URETXZKFVYJWQC-MRVPVSSYSA-N -1 3 249.270 0.275 20 0 BCADHM COc1cccc(C(=O)NC/C=C/CO)c1[O-] ZINC000617690540 356281717 /nfs/dbraw/zinc/28/17/17/356281717.db2.gz BHFLLMINHLLJKX-NSCUHMNNSA-N -1 3 237.255 0.679 20 0 BCADHM Cc1cc(C(=O)NC/C=C/CO)ccc1[O-] ZINC000617685564 356284078 /nfs/dbraw/zinc/28/40/78/356284078.db2.gz SCWSVCNDHUSDAC-NSCUHMNNSA-N -1 3 221.256 0.979 20 0 BCADHM CC[C@@H](OC)C(=O)NCc1ncccc1[O-] ZINC000352501114 356370268 /nfs/dbraw/zinc/37/02/68/356370268.db2.gz MNGWAQJJDKASCQ-SNVBAGLBSA-N -1 3 224.260 0.828 20 0 BCADHM CCN(CC(N)=O)Cc1ncccc1[O-] ZINC000580363815 356433940 /nfs/dbraw/zinc/43/39/40/356433940.db2.gz PCOIIYXXWIUJIW-UHFFFAOYSA-N -1 3 209.249 0.094 20 0 BCADHM NC(=O)[C@H](Cc1ccccc1)[N-]C(=O)C(F)F ZINC000278423143 181276737 /nfs/dbraw/zinc/27/67/37/181276737.db2.gz IXWDARPBOZCGPS-QMMMGPOBSA-N -1 3 242.225 0.464 20 0 BCADHM COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2C)n1 ZINC000609835534 356480776 /nfs/dbraw/zinc/48/07/76/356480776.db2.gz GIOMHMWZVSREMK-NTSWFWBYSA-N -1 3 238.247 0.115 20 0 BCADHM COC(=O)Cc1nnc(NC(=O)[C@@H]2C[C@@H]2C)[n-]1 ZINC000609835534 356480781 /nfs/dbraw/zinc/48/07/81/356480781.db2.gz GIOMHMWZVSREMK-NTSWFWBYSA-N -1 3 238.247 0.115 20 0 BCADHM COC(=O)Cc1nc(NC(=O)[C@@H]2C[C@@H]2C)n[n-]1 ZINC000609835534 356480783 /nfs/dbraw/zinc/48/07/83/356480783.db2.gz GIOMHMWZVSREMK-NTSWFWBYSA-N -1 3 238.247 0.115 20 0 BCADHM CC[C@@H](C)CNc1nc2nncc-2c(O)[n-]1 ZINC000420652511 192255064 /nfs/dbraw/zinc/25/50/64/192255064.db2.gz MILDWJMVVDWMJF-ZCFIWIBFSA-N -1 3 221.264 0.890 20 0 BCADHM NC(=O)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000019839205 181281242 /nfs/dbraw/zinc/28/12/42/181281242.db2.gz XIPPTGSWVUWEDW-VIFPVBQESA-N -1 3 248.282 0.730 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)CCC1CC1 ZINC000297635837 181286063 /nfs/dbraw/zinc/28/60/63/181286063.db2.gz CZAURSQSLLADTK-UHFFFAOYSA-N -1 3 223.236 0.032 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)CCC1CC1 ZINC000297635837 181286064 /nfs/dbraw/zinc/28/60/64/181286064.db2.gz CZAURSQSLLADTK-UHFFFAOYSA-N -1 3 223.236 0.032 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)CCC1CC1 ZINC000297635837 181286065 /nfs/dbraw/zinc/28/60/65/181286065.db2.gz CZAURSQSLLADTK-UHFFFAOYSA-N -1 3 223.236 0.032 20 0 BCADHM CC[C@@H](NCc1nc(C)ccc1[O-])C(=O)NC ZINC000449778593 202031333 /nfs/dbraw/zinc/03/13/33/202031333.db2.gz RSXIVEILSBZPCN-SECBINFHSA-N -1 3 237.303 0.710 20 0 BCADHM C[C@@H]1OCC[C@@H]1CN(C)Cc1n[n-]c(=O)o1 ZINC000639674786 356592107 /nfs/dbraw/zinc/59/21/07/356592107.db2.gz AFSGHJOAOLWXAU-JGVFFNPUSA-N -1 3 227.264 0.632 20 0 BCADHM C[C@@H](CC(C)(C)O)NC(=O)c1c[n-]nn1 ZINC000385162496 356912840 /nfs/dbraw/zinc/91/28/40/356912840.db2.gz LJKBKUGAPLRDKN-LURJTMIESA-N -1 3 212.253 0.084 20 0 BCADHM C[C@@H](CC(C)(C)O)NC(=O)c1cnn[n-]1 ZINC000385162496 356912841 /nfs/dbraw/zinc/91/28/41/356912841.db2.gz LJKBKUGAPLRDKN-LURJTMIESA-N -1 3 212.253 0.084 20 0 BCADHM C[C@@H](CC(C)(C)O)NC(=O)c1cn[n-]n1 ZINC000385162496 356912845 /nfs/dbraw/zinc/91/28/45/356912845.db2.gz LJKBKUGAPLRDKN-LURJTMIESA-N -1 3 212.253 0.084 20 0 BCADHM Cn1cnnc1[N-]C(=O)COCC(F)F ZINC000626466208 356999555 /nfs/dbraw/zinc/99/95/55/356999555.db2.gz OANNTYUCCMTQKL-UHFFFAOYSA-N -1 3 220.179 0.035 20 0 BCADHM N=c1nc(N2CC[C@H](F)C2)nc2[nH][n-]cc1-2 ZINC000450604268 202209851 /nfs/dbraw/zinc/20/98/51/202209851.db2.gz KCLRULBBNLXMMZ-YFKPBYRVSA-N -1 3 222.227 0.265 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)CCSC ZINC000582428309 357146988 /nfs/dbraw/zinc/14/69/88/357146988.db2.gz ILPWKPXDCOXWFW-UHFFFAOYSA-N -1 3 243.288 0.888 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)CCSC ZINC000582428309 357146991 /nfs/dbraw/zinc/14/69/91/357146991.db2.gz ILPWKPXDCOXWFW-UHFFFAOYSA-N -1 3 243.288 0.888 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000626516913 357165836 /nfs/dbraw/zinc/16/58/36/357165836.db2.gz LMKQBMMBFIHXTM-OCAPTIKFSA-N -1 3 247.254 0.518 20 0 BCADHM CN(Cc1ncccc1[O-])[C@@H]1CCNC1=O ZINC000582387362 357120841 /nfs/dbraw/zinc/12/08/41/357120841.db2.gz ULOLLRQOSMENSL-SECBINFHSA-N -1 3 221.260 0.108 20 0 BCADHM CC[C@@H](O)CC[N-]S(=O)(=O)c1ccccn1 ZINC000305683228 357201444 /nfs/dbraw/zinc/20/14/44/357201444.db2.gz LKGDJNYCBNBSBT-SECBINFHSA-N -1 3 244.316 0.521 20 0 BCADHM CCc1nc([N-]C(=O)c2cc(C)on2)n[nH]1 ZINC000123301388 357222979 /nfs/dbraw/zinc/22/29/79/357222979.db2.gz MXUXKHJWDWKMJG-UHFFFAOYSA-N -1 3 221.220 0.916 20 0 BCADHM CC1(C)[C@H](NC(=O)c2cc(=O)[n-]cn2)C[C@@H]1O ZINC000626523397 357175467 /nfs/dbraw/zinc/17/54/67/357175467.db2.gz XFZRHQRTHRTYMW-SFYZADRCSA-N -1 3 237.259 0.071 20 0 BCADHM CC(C)[N@@H+](CCO)Cc1ncccc1[O-] ZINC000582573768 357342127 /nfs/dbraw/zinc/34/21/27/357342127.db2.gz UZJYRZHGEBGTIW-UHFFFAOYSA-N -1 3 210.277 0.990 20 0 BCADHM CC(C)N(CCO)Cc1ncccc1[O-] ZINC000582573768 357342132 /nfs/dbraw/zinc/34/21/32/357342132.db2.gz UZJYRZHGEBGTIW-UHFFFAOYSA-N -1 3 210.277 0.990 20 0 BCADHM CN(Cc1cnnn1C)C1(C(=O)[O-])CCCC1 ZINC000395080185 357410533 /nfs/dbraw/zinc/41/05/33/357410533.db2.gz QBYBQHIBEVSLOB-UHFFFAOYSA-N -1 3 238.291 0.644 20 0 BCADHM O=S(=O)([N-][C@H]1CCSC1)c1c[nH]cn1 ZINC000230627591 357542468 /nfs/dbraw/zinc/54/24/68/357542468.db2.gz BCWHNQWKXXUKSM-LURJTMIESA-N -1 3 233.318 0.194 20 0 BCADHM CC[C@H](NC(=O)[C@H]1C[C@@H](C)CCN1)C(=O)[O-] ZINC000160638809 538885290 /nfs/dbraw/zinc/88/52/90/538885290.db2.gz FVRHUQWFVKPWFL-XHNCKOQMSA-N -1 3 228.292 0.354 20 0 BCADHM CCc1nnc(S(=O)(=O)CCOC(C)C)[n-]1 ZINC000086170437 357864182 /nfs/dbraw/zinc/86/41/82/357864182.db2.gz PULBDPUORGFGOF-UHFFFAOYSA-N -1 3 247.320 0.566 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CCOC(C)C)n1 ZINC000086170437 357864185 /nfs/dbraw/zinc/86/41/85/357864185.db2.gz PULBDPUORGFGOF-UHFFFAOYSA-N -1 3 247.320 0.566 20 0 BCADHM COCCNCC(=O)Nc1ccccc1[O-] ZINC000086158346 357862724 /nfs/dbraw/zinc/86/27/24/357862724.db2.gz VWTVPZJWHSYQMD-UHFFFAOYSA-N -1 3 224.260 0.567 20 0 BCADHM CCC[C@@H](C(=O)N(C)CCC(=O)[O-])N(C)C ZINC000583811848 357957674 /nfs/dbraw/zinc/95/76/74/357957674.db2.gz CIYVCTIRYITNKV-VIFPVBQESA-N -1 3 230.308 0.650 20 0 BCADHM CC[C@@H](C(=O)NCC(=O)[O-])N(CC)CC ZINC000261534935 535404592 /nfs/dbraw/zinc/40/45/92/535404592.db2.gz NLMGVTIMXPGWTI-QMMMGPOBSA-N -1 3 216.281 0.308 20 0 BCADHM Cc1ccccc1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000039793434 358228149 /nfs/dbraw/zinc/22/81/49/358228149.db2.gz HNOROOIJBGODHC-VIFPVBQESA-N -1 3 247.254 0.532 20 0 BCADHM CCCC[C@H](NC(=O)[C@H](N)CCC)C(=O)[O-] ZINC000040482450 358236975 /nfs/dbraw/zinc/23/69/75/358236975.db2.gz SAZZLRKKUXDYBK-BDAKNGLRSA-N -1 3 230.308 0.873 20 0 BCADHM CC[C@@H](C)N(CC(=O)[O-])C(=O)CNC1CC1 ZINC000040486140 358237170 /nfs/dbraw/zinc/23/71/70/358237170.db2.gz NGXYSTKTKWMRIY-MRVPVSSYSA-N -1 3 228.292 0.450 20 0 BCADHM CN(C[C@H]1CCCN1C)c1nc(C(=O)[O-])co1 ZINC000228317522 358373627 /nfs/dbraw/zinc/37/36/27/358373627.db2.gz ARTNKXWTQGBSLD-MRVPVSSYSA-N -1 3 239.275 0.903 20 0 BCADHM O=C([O-])c1cnccc1NCCCOCCO ZINC000230766058 358410533 /nfs/dbraw/zinc/41/05/33/358410533.db2.gz RABORSBTZJLMSE-UHFFFAOYSA-N -1 3 240.259 0.591 20 0 BCADHM O=C(CCn1cncn1)Nc1ncccc1[O-] ZINC000048411854 358634218 /nfs/dbraw/zinc/63/42/18/358634218.db2.gz KZFQKOSERQRDKP-UHFFFAOYSA-N -1 3 233.231 0.408 20 0 BCADHM Cc1ccc(CNC(=O)c2c[n-]nn2)cn1 ZINC000048937057 358662352 /nfs/dbraw/zinc/66/23/52/358662352.db2.gz RHEGKQDPGDGMFN-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1ccc(CNC(=O)c2cnn[n-]2)cn1 ZINC000048937057 358662355 /nfs/dbraw/zinc/66/23/55/358662355.db2.gz RHEGKQDPGDGMFN-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1ccc(CNC(=O)c2cn[n-]n2)cn1 ZINC000048937057 358662358 /nfs/dbraw/zinc/66/23/58/358662358.db2.gz RHEGKQDPGDGMFN-UHFFFAOYSA-N -1 3 217.232 0.438 20 0 BCADHM Cc1nc(C)c(CC(=O)N(C)CC2CC2)c(=O)[n-]1 ZINC000049251727 358678517 /nfs/dbraw/zinc/67/85/17/358678517.db2.gz KQXSVICKIFFVOU-UHFFFAOYSA-N -1 3 249.314 0.798 20 0 BCADHM CO[C@@H](C)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000049424462 358689252 /nfs/dbraw/zinc/68/92/52/358689252.db2.gz DSVIMHMUAPUABR-ZETCQYMHSA-N -1 3 247.258 0.840 20 0 BCADHM CO[C@@H](C)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000049424462 358689254 /nfs/dbraw/zinc/68/92/54/358689254.db2.gz DSVIMHMUAPUABR-ZETCQYMHSA-N -1 3 247.258 0.840 20 0 BCADHM CO[C@@H](C)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000049424462 358689256 /nfs/dbraw/zinc/68/92/56/358689256.db2.gz DSVIMHMUAPUABR-ZETCQYMHSA-N -1 3 247.258 0.840 20 0 BCADHM CCCN(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000049479127 358690223 /nfs/dbraw/zinc/69/02/23/358690223.db2.gz OORYQISWXIXIBL-UHFFFAOYSA-N -1 3 237.303 0.798 20 0 BCADHM O=C(c1ccccc1[O-])N1CCS(=O)CC1 ZINC000049692902 358698875 /nfs/dbraw/zinc/69/88/75/358698875.db2.gz VHTVMJLFNSPVCD-UHFFFAOYSA-N -1 3 239.296 0.597 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@@H]1C(F)(F)F ZINC000627387632 358759492 /nfs/dbraw/zinc/75/94/92/358759492.db2.gz VYOVDVUBBDQMKN-ZCFIWIBFSA-N -1 3 247.176 0.959 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)Nc1ccccc1 ZINC000070079130 359039758 /nfs/dbraw/zinc/03/97/58/359039758.db2.gz VDCJNHQLNWPPOZ-UHFFFAOYSA-N -1 3 233.227 0.177 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N(CCO)C1CCC1 ZINC000626604738 358980559 /nfs/dbraw/zinc/98/05/59/358980559.db2.gz NTOJPVGGBSZXNK-UHFFFAOYSA-N -1 3 237.259 0.169 20 0 BCADHM C[C@H]1CCN(C(=O)c2cc(=O)[n-]cn2)[C@@H]1CO ZINC000626609951 358983171 /nfs/dbraw/zinc/98/31/71/358983171.db2.gz PJKXNRPDOQPQMG-IONNQARKSA-N -1 3 237.259 0.025 20 0 BCADHM O=C(NC[C@@H]1CC[C@@H](O)C1)c1cc(=O)[n-]cn1 ZINC000626631389 358996194 /nfs/dbraw/zinc/99/61/94/358996194.db2.gz WZZLSAPZHNDZDN-HTQZYQBOSA-N -1 3 237.259 0.073 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1c[n-]nn1 ZINC000247398212 359218194 /nfs/dbraw/zinc/21/81/94/359218194.db2.gz LYPJQVIUNBSBQY-XKSSXDPKSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cnn[n-]1 ZINC000247398212 359218199 /nfs/dbraw/zinc/21/81/99/359218199.db2.gz LYPJQVIUNBSBQY-XKSSXDPKSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cn[n-]n1 ZINC000247398212 359218205 /nfs/dbraw/zinc/21/82/05/359218205.db2.gz LYPJQVIUNBSBQY-XKSSXDPKSA-N -1 3 236.275 0.492 20 0 BCADHM CC(C)(C)[C@H](CO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626677361 359306322 /nfs/dbraw/zinc/30/63/22/359306322.db2.gz COXGZLXAVNQGCN-QMMMGPOBSA-N -1 3 239.275 0.319 20 0 BCADHM Cc1ccc(NC(=O)[C@H]2CNCCO2)c([O-])c1 ZINC000423702653 192824195 /nfs/dbraw/zinc/82/41/95/192824195.db2.gz ACVFVTFYOMYWTM-LLVKDONJSA-N -1 3 236.271 0.628 20 0 BCADHM c1[n-][nH]c2ncnc(=NCCC[C@@H]3CCOC3)c1-2 ZINC000450887980 202296831 /nfs/dbraw/zinc/29/68/31/202296831.db2.gz JVVJBQILVAEBFV-SECBINFHSA-N -1 3 247.302 0.955 20 0 BCADHM CCOC(=O)c1cc(NC(=O)c2cc[nH]n2)n[n-]1 ZINC000180932699 366559107 /nfs/dbraw/zinc/55/91/07/366559107.db2.gz LIHOJHUSRAQUDD-UHFFFAOYSA-N -1 3 249.230 0.562 20 0 BCADHM CCOC(=O)c1cc(NC(=O)c2cc[nH]n2)[n-]n1 ZINC000180932699 366559108 /nfs/dbraw/zinc/55/91/08/366559108.db2.gz LIHOJHUSRAQUDD-UHFFFAOYSA-N -1 3 249.230 0.562 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CC23CC3)c1 ZINC000578503911 366581222 /nfs/dbraw/zinc/58/12/22/366581222.db2.gz CDNGLRCFLVTBPJ-MRVPVSSYSA-N -1 3 241.316 0.499 20 0 BCADHM C[C@@H](CCO)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000612458682 359850665 /nfs/dbraw/zinc/85/06/65/359850665.db2.gz MIRRGODEIKOPMX-ZETCQYMHSA-N -1 3 249.270 0.769 20 0 BCADHM C[C@@]1(C[N-]S(=O)(=O)c2c[nH]cn2)CCCO1 ZINC000087257408 359904154 /nfs/dbraw/zinc/90/41/54/359904154.db2.gz ITSPAJXRESQZTL-VIFPVBQESA-N -1 3 245.304 0.257 20 0 BCADHM Cc1csc(S(=O)(=O)[N-]C[C@H](C)CO)c1 ZINC000451222237 202381469 /nfs/dbraw/zinc/38/14/69/202381469.db2.gz LIGQFIIXSFEYOW-QMMMGPOBSA-N -1 3 249.357 0.963 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cccc3nn[n-]c32)CO1 ZINC000578655195 366621895 /nfs/dbraw/zinc/62/18/95/366621895.db2.gz WCCOQKFTVMNVRV-JGVFFNPUSA-N -1 3 246.270 0.865 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cccc3[n-]nnc32)CO1 ZINC000578655195 366621900 /nfs/dbraw/zinc/62/19/00/366621900.db2.gz WCCOQKFTVMNVRV-JGVFFNPUSA-N -1 3 246.270 0.865 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc32)CO1 ZINC000578655195 366621904 /nfs/dbraw/zinc/62/19/04/366621904.db2.gz WCCOQKFTVMNVRV-JGVFFNPUSA-N -1 3 246.270 0.865 20 0 BCADHM Cc1ccc([O-])c(NC(=O)c2cn(C)nn2)n1 ZINC000578699359 366628058 /nfs/dbraw/zinc/62/80/58/366628058.db2.gz HTFUXMKUXCZKPQ-UHFFFAOYSA-N -1 3 233.231 0.476 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC[C@@](C)(O)CO)c1 ZINC000090284709 360068113 /nfs/dbraw/zinc/06/81/13/360068113.db2.gz HCKJFCYZWATEOI-GFCCVEGCSA-N -1 3 239.271 0.174 20 0 BCADHM O=C(Nc1ccc2c(c1)CCO2)c1nc[n-]n1 ZINC000095041406 360333496 /nfs/dbraw/zinc/33/34/96/360333496.db2.gz GSHVJOHDXJNXDE-UHFFFAOYSA-N -1 3 230.227 0.992 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000628772466 360639211 /nfs/dbraw/zinc/63/92/11/360639211.db2.gz QBDDHCKNWLWNEO-KYZUINATSA-N -1 3 248.282 0.694 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000628823681 360682490 /nfs/dbraw/zinc/68/24/90/360682490.db2.gz CWTYNZYWPVOMEY-VHSXEESVSA-N -1 3 249.270 0.576 20 0 BCADHM CCn1cnc(C(=O)Nc2nnc(OC)[n-]2)c1 ZINC000613195378 360687400 /nfs/dbraw/zinc/68/74/00/360687400.db2.gz GOUNWNGFPMORLT-UHFFFAOYSA-N -1 3 236.235 0.282 20 0 BCADHM CCn1cnc(C(=O)Nc2n[n-]c(OC)n2)c1 ZINC000613195378 360687402 /nfs/dbraw/zinc/68/74/02/360687402.db2.gz GOUNWNGFPMORLT-UHFFFAOYSA-N -1 3 236.235 0.282 20 0 BCADHM CCn1cnc(C(=O)Nc2nc(OC)n[n-]2)c1 ZINC000613195378 360687408 /nfs/dbraw/zinc/68/74/08/360687408.db2.gz GOUNWNGFPMORLT-UHFFFAOYSA-N -1 3 236.235 0.282 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1C(N)=O ZINC000628836375 360690727 /nfs/dbraw/zinc/69/07/27/360690727.db2.gz RYYMLADOAYNTDY-VIFPVBQESA-N -1 3 248.282 0.791 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CC2(C1)CCCO2 ZINC000628790974 360656388 /nfs/dbraw/zinc/65/63/88/360656388.db2.gz ADTLBFQSPDWTOM-UHFFFAOYSA-N -1 3 248.282 0.721 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2COCCC2=O)c([O-])c1 ZINC000628883824 360721840 /nfs/dbraw/zinc/72/18/40/360721840.db2.gz BOAPEZOMWCMPJL-JTQLQIEISA-N -1 3 249.266 0.788 20 0 BCADHM COc1nc(NC(=O)[C@H](OC)C2CCC2)n[n-]1 ZINC000613195927 360708877 /nfs/dbraw/zinc/70/88/77/360708877.db2.gz KYILBTWLLLPCNB-SSDOTTSWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@H](OC)C2CCC2)[n-]1 ZINC000613195927 360708878 /nfs/dbraw/zinc/70/88/78/360708878.db2.gz KYILBTWLLLPCNB-SSDOTTSWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](OC)C2CCC2)n1 ZINC000613195927 360708879 /nfs/dbraw/zinc/70/88/79/360708879.db2.gz KYILBTWLLLPCNB-SSDOTTSWSA-N -1 3 240.263 0.567 20 0 BCADHM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1c[n-]nn1 ZINC000629131426 360895469 /nfs/dbraw/zinc/89/54/69/360895469.db2.gz LGBBNJAXGRIDEB-APPZFPTMSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cnn[n-]1 ZINC000629131426 360895473 /nfs/dbraw/zinc/89/54/73/360895473.db2.gz LGBBNJAXGRIDEB-APPZFPTMSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cn[n-]n1 ZINC000629131426 360895478 /nfs/dbraw/zinc/89/54/78/360895478.db2.gz LGBBNJAXGRIDEB-APPZFPTMSA-N -1 3 222.248 0.102 20 0 BCADHM CN(C(=O)c1cccc([O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629217281 360955031 /nfs/dbraw/zinc/95/50/31/360955031.db2.gz BCMPRCWFXCIVGG-AOOOYVTPSA-N -1 3 248.282 0.728 20 0 BCADHM O=S(=O)([N-]c1cnn(CCF)c1)N1CCC1 ZINC000629319840 360994399 /nfs/dbraw/zinc/99/43/99/360994399.db2.gz QIKPUCLTGSPQQO-UHFFFAOYSA-N -1 3 248.283 0.215 20 0 BCADHM C[C@@H]1C[C@@H]1CN1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000629364523 361009901 /nfs/dbraw/zinc/00/99/01/361009901.db2.gz MKHSZEVRNGMTKT-ZYUZMQFOSA-N -1 3 213.277 0.816 20 0 BCADHM C[C@H](CO)CN1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629361730 361010962 /nfs/dbraw/zinc/01/09/62/361010962.db2.gz LLYIWXVASKNGFC-JTQLQIEISA-N -1 3 244.335 0.096 20 0 BCADHM CCOCCN1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629363520 361012881 /nfs/dbraw/zinc/01/28/81/361012881.db2.gz LUZVXOLHTXIKNW-UHFFFAOYSA-N -1 3 244.335 0.504 20 0 BCADHM COC[C@]1(C)CN([C@@H](C(=O)[O-])C2CC2)CCO1 ZINC000629379394 361028046 /nfs/dbraw/zinc/02/80/46/361028046.db2.gz OPDSLYHINONPGV-PWSUYJOCSA-N -1 3 243.303 0.587 20 0 BCADHM COCCC(=O)Nc1cccc2n[n-]nc21 ZINC000640380652 361189457 /nfs/dbraw/zinc/18/94/57/361189457.db2.gz WGSHVUIGZKKJBJ-UHFFFAOYSA-N -1 3 220.232 0.933 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H]3C[C@@]3(O)C2)n1 ZINC000640487492 361279946 /nfs/dbraw/zinc/27/99/46/361279946.db2.gz RFUHUSQFHSRXNN-YGOYTEALSA-N -1 3 235.287 0.618 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3C[C@]3(O)C2)n1 ZINC000640487488 361279986 /nfs/dbraw/zinc/27/99/86/361279986.db2.gz RFUHUSQFHSRXNN-AUTRQRHGSA-N -1 3 235.287 0.618 20 0 BCADHM CC[C@H](O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000622063294 370686484 /nfs/dbraw/zinc/68/64/84/370686484.db2.gz CAGSUEPWDCLMSE-ZETCQYMHSA-N -1 3 228.223 0.427 20 0 BCADHM Cc1nnc(CC(=O)NCc2ncccc2[O-])[nH]1 ZINC000614254445 363772301 /nfs/dbraw/zinc/77/23/01/363772301.db2.gz HVJRVSINJXPEIX-UHFFFAOYSA-N -1 3 247.258 0.073 20 0 BCADHM Cc1nc(CC(=O)NCc2ncccc2[O-])n[nH]1 ZINC000614254445 363772304 /nfs/dbraw/zinc/77/23/04/363772304.db2.gz HVJRVSINJXPEIX-UHFFFAOYSA-N -1 3 247.258 0.073 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@@H](O)C1CC1 ZINC000614256377 363772493 /nfs/dbraw/zinc/77/24/93/363772493.db2.gz ZFFHVXCVGJCDMI-JTQLQIEISA-N -1 3 222.244 0.174 20 0 BCADHM CCCN(CC)C(=O)C(=O)[N-]c1cnns1 ZINC000429670358 201124394 /nfs/dbraw/zinc/12/43/94/201124394.db2.gz KCUYXNUIQXNAMI-UHFFFAOYSA-N -1 3 242.304 0.735 20 0 BCADHM CCC(C)(C)NC(=O)C(=O)[N-]c1cnns1 ZINC000434433385 201219206 /nfs/dbraw/zinc/21/92/06/201219206.db2.gz RMIYCKBGUBELPZ-UHFFFAOYSA-N -1 3 242.304 0.781 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2cccc3nn[n-]c32)C1 ZINC000629688996 361622553 /nfs/dbraw/zinc/62/25/53/361622553.db2.gz XGPWZEVBMDECJN-ZKCHVHJHSA-N -1 3 246.270 0.865 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2cccc3[n-]nnc32)C1 ZINC000629688996 361622558 /nfs/dbraw/zinc/62/25/58/361622558.db2.gz XGPWZEVBMDECJN-ZKCHVHJHSA-N -1 3 246.270 0.865 20 0 BCADHM CO[C@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC000629688996 361622562 /nfs/dbraw/zinc/62/25/62/361622562.db2.gz XGPWZEVBMDECJN-ZKCHVHJHSA-N -1 3 246.270 0.865 20 0 BCADHM COCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000448557315 201263318 /nfs/dbraw/zinc/26/33/18/201263318.db2.gz QTHUQHCFCGJZRX-UHFFFAOYSA-N -1 3 227.235 0.836 20 0 BCADHM O=C(Nc1cccc2[nH]cnc21)c1nc[n-]n1 ZINC000435932292 201300061 /nfs/dbraw/zinc/30/00/61/201300061.db2.gz AZONKVBJXBJWMG-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C2(C)COC2)o1 ZINC000632664416 361721474 /nfs/dbraw/zinc/72/14/74/361721474.db2.gz CRTZAHNJWAWACC-UHFFFAOYSA-N -1 3 231.273 0.655 20 0 BCADHM CN(C)CC1(NC(=O)c2cc(=O)[nH][n-]2)CCC1 ZINC000614399841 363804971 /nfs/dbraw/zinc/80/49/71/363804971.db2.gz QNLFWTGNPFTTNQ-UHFFFAOYSA-N -1 3 238.291 0.329 20 0 BCADHM CC1(C)COCN1C(=O)Cc1cncc([O-])c1 ZINC000614431492 363816146 /nfs/dbraw/zinc/81/61/46/363816146.db2.gz DKUISUXLOBHDAL-UHFFFAOYSA-N -1 3 236.271 0.925 20 0 BCADHM CC[C@@H]1C[C@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614914369 364069883 /nfs/dbraw/zinc/06/98/83/364069883.db2.gz HINBMNAJADYVSM-PSASIEDQSA-N -1 3 237.303 0.805 20 0 BCADHM CC(C)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630221699 364026452 /nfs/dbraw/zinc/02/64/52/364026452.db2.gz DUFCSSZWZHJRAW-UHFFFAOYSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@@H](NC(=O)c1cc(F)c[n-]c1=O)[C@H](C)O ZINC000622090652 370703350 /nfs/dbraw/zinc/70/33/50/370703350.db2.gz RSWHCFFGTPEOSR-IMTBSYHQSA-N -1 3 242.250 0.816 20 0 BCADHM CC(C)c1cnc(S(=O)(=O)C[C@@H](C)O)[n-]1 ZINC000630429727 364157406 /nfs/dbraw/zinc/15/74/06/364157406.db2.gz ALQYVOFMDSZEOU-SSDOTTSWSA-N -1 3 232.305 0.688 20 0 BCADHM CC(C)c1c[n-]c(S(=O)(=O)C[C@@H](C)O)n1 ZINC000630429727 364157409 /nfs/dbraw/zinc/15/74/09/364157409.db2.gz ALQYVOFMDSZEOU-SSDOTTSWSA-N -1 3 232.305 0.688 20 0 BCADHM CC(C)n1[nH]cnc1=NC(=O)c1ncc[n-]1 ZINC000622108961 370715466 /nfs/dbraw/zinc/71/54/66/370715466.db2.gz ADALXAUGTNXVFK-UHFFFAOYSA-N -1 3 220.236 0.256 20 0 BCADHM CC[C@H](C(=O)N(C)Cc1n[n-]c(=O)o1)N(C)C ZINC000622117067 370721688 /nfs/dbraw/zinc/72/16/88/370721688.db2.gz PXTDMQFFNGSWHL-SSDOTTSWSA-N -1 3 242.279 0.074 20 0 BCADHM C[C@@H](CCO)N(C)C(=O)c1cc(F)c[n-]c1=O ZINC000622127709 370725744 /nfs/dbraw/zinc/72/57/44/370725744.db2.gz BGFTVUYSOWVUET-ZETCQYMHSA-N -1 3 242.250 0.769 20 0 BCADHM CCN[C@H](C)C(=O)N(CC(=O)[O-])CC1CC1 ZINC000630573153 364271211 /nfs/dbraw/zinc/27/12/11/364271211.db2.gz DVKOUOMTDMZQRT-MRVPVSSYSA-N -1 3 228.292 0.308 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1C[C@@H]1C1CC1 ZINC000614993076 364285031 /nfs/dbraw/zinc/28/50/31/364285031.db2.gz ASUURLYFGYWQIX-RQJHMYQMSA-N -1 3 232.247 0.437 20 0 BCADHM C[C@H]1CC[C@@H](C(=O)[N-]c2nnc3[nH]cnn23)C1 ZINC000614993557 364287728 /nfs/dbraw/zinc/28/77/28/364287728.db2.gz IZIVDCGSCKFKKN-NKWVEPMBSA-N -1 3 234.263 0.827 20 0 BCADHM CCC[C@H](OC)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614994877 364288532 /nfs/dbraw/zinc/28/85/32/364288532.db2.gz VIXTUSFFNXXOPI-LURJTMIESA-N -1 3 238.251 0.206 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000614996215 364307224 /nfs/dbraw/zinc/30/72/24/364307224.db2.gz JDWSBHNFZAQSAD-XLPZGREQSA-N -1 3 246.274 0.827 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1C[C@H]1C1CCC1 ZINC000614997361 364310455 /nfs/dbraw/zinc/31/04/55/364310455.db2.gz VFBPTWGSORXYGF-JGVFFNPUSA-N -1 3 246.274 0.827 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@]12C[C@@H]1CCC2 ZINC000614997672 364313178 /nfs/dbraw/zinc/31/31/78/364313178.db2.gz ZQHVAOUSHQXSTM-WKEGUHRASA-N -1 3 232.247 0.581 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@H]1CCCNC1=O ZINC000630797148 364562732 /nfs/dbraw/zinc/56/27/32/364562732.db2.gz STCPXLLPTPGZHT-QMMMGPOBSA-N -1 3 234.255 0.857 20 0 BCADHM CN(CCOCC(=O)[O-])[C@@H]1CC1(C)C ZINC000573330861 364802034 /nfs/dbraw/zinc/80/20/34/364802034.db2.gz CCMLAZRCOZWDDE-MRVPVSSYSA-N -1 3 201.266 0.818 20 0 BCADHM O=C([O-])[C@@H]1COCCN1C[C@H]1CCCC[C@@H]1O ZINC000328318120 364826888 /nfs/dbraw/zinc/82/68/88/364826888.db2.gz CZFGOOJBDLWHNX-VWYCJHECSA-N -1 3 243.303 0.323 20 0 BCADHM COCC(C)(C)[N-]S(=O)(=O)c1ccn(C)n1 ZINC000573601087 364870764 /nfs/dbraw/zinc/87/07/64/364870764.db2.gz FSPPZSDBPDLYRZ-UHFFFAOYSA-N -1 3 247.320 0.123 20 0 BCADHM O=C(NC(CF)CF)c1cccc2nn[n-]c21 ZINC000574401369 365053263 /nfs/dbraw/zinc/05/32/63/365053263.db2.gz FDRVPQZBUSICOW-UHFFFAOYSA-N -1 3 240.213 0.995 20 0 BCADHM O=C(NC(CF)CF)c1cccc2[n-]nnc21 ZINC000574401369 365053271 /nfs/dbraw/zinc/05/32/71/365053271.db2.gz FDRVPQZBUSICOW-UHFFFAOYSA-N -1 3 240.213 0.995 20 0 BCADHM O=C(NC(CF)CF)c1cccc2n[n-]nc21 ZINC000574401369 365053275 /nfs/dbraw/zinc/05/32/75/365053275.db2.gz FDRVPQZBUSICOW-UHFFFAOYSA-N -1 3 240.213 0.995 20 0 BCADHM COc1ccc([O-])c(C(=O)Nc2ncn(C)n2)c1 ZINC000575206117 365241912 /nfs/dbraw/zinc/24/19/12/365241912.db2.gz KZQPHCACRGHZFD-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM CCO[C@@H]1C[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000575202163 365242272 /nfs/dbraw/zinc/24/22/72/365242272.db2.gz HYXYIKDQXYEKOB-GHMZBOCLSA-N -1 3 246.270 0.865 20 0 BCADHM Cn1nccc1CC(=O)Nc1ncccc1[O-] ZINC000444365438 193045401 /nfs/dbraw/zinc/04/54/01/193045401.db2.gz BTEFBGWKSPUTFJ-UHFFFAOYSA-N -1 3 232.243 0.702 20 0 BCADHM COC(=O)c1ccccc1CN(C)CC(=O)[O-] ZINC000575320147 365288248 /nfs/dbraw/zinc/28/82/48/365288248.db2.gz MNKPBNLJIRJOIA-UHFFFAOYSA-N -1 3 237.255 0.990 20 0 BCADHM O=S(=O)([N-]CCN1CCC1)c1cscn1 ZINC000579588014 366893040 /nfs/dbraw/zinc/89/30/40/366893040.db2.gz RMLRLMBCEXTLLC-UHFFFAOYSA-N -1 3 247.345 0.127 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1C[C@H]1C ZINC000176052832 541501254 /nfs/dbraw/zinc/50/12/54/541501254.db2.gz HHZOEPIRTGHLMR-XINAWCOVSA-N -1 3 223.232 0.791 20 0 BCADHM COC(=O)[C@@H](CF)NCc1nc(C)ccc1[O-] ZINC000579893204 367062967 /nfs/dbraw/zinc/06/29/67/367062967.db2.gz WMPCVCPNKWIOOR-MRVPVSSYSA-N -1 3 242.250 0.696 20 0 BCADHM CCO[C@H]1C[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000579904776 367068803 /nfs/dbraw/zinc/06/88/03/367068803.db2.gz SPZLCMDUZKQJRV-FSPLSTOPSA-N -1 3 228.273 0.756 20 0 BCADHM CCO[C@H]1C[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000579904778 367068932 /nfs/dbraw/zinc/06/89/32/367068932.db2.gz SPZLCMDUZKQJRV-VDTYLAMSSA-N -1 3 228.273 0.756 20 0 BCADHM CC(C)C(=O)C[N-]S(=O)(=O)CC1(C)COC1 ZINC000580024135 367132890 /nfs/dbraw/zinc/13/28/90/367132890.db2.gz JXLFXDPEEPZSBO-UHFFFAOYSA-N -1 3 249.332 0.167 20 0 BCADHM c1cc(CN=c2ncnc3[nH][n-]cc2-3)n[nH]1 ZINC000381181258 367360320 /nfs/dbraw/zinc/36/03/20/367360320.db2.gz WNJHXIWUNWTEEO-UHFFFAOYSA-N -1 3 215.220 0.062 20 0 BCADHM O=C(NCCn1cncn1)c1ccc(O)cc1[O-] ZINC000381288987 367374703 /nfs/dbraw/zinc/37/47/03/367374703.db2.gz NDAXZRGVTGVHKT-UHFFFAOYSA-N -1 3 248.242 0.119 20 0 BCADHM COC[C@](C)(O)CNc1ccncc1C(=O)[O-] ZINC000382557037 367538260 /nfs/dbraw/zinc/53/82/60/367538260.db2.gz ABGYRBOQRKYMIQ-LLVKDONJSA-N -1 3 240.259 0.011 20 0 BCADHM COC[C@@](C)(O)CNC(=O)c1cccc([O-])c1 ZINC000382573555 367541655 /nfs/dbraw/zinc/54/16/55/367541655.db2.gz RWFPRZYBDKROJT-LBPRGKRZSA-N -1 3 239.271 0.519 20 0 BCADHM CCC(=O)[C@H](C)Sc1n[n-]c(CO)n1 ZINC000581586168 367610629 /nfs/dbraw/zinc/61/06/29/367610629.db2.gz QEHFSJJAJWUTHB-YFKPBYRVSA-N -1 3 215.278 0.757 20 0 BCADHM COC(C)(C)CNC(=O)Cc1cncc([O-])c1 ZINC000581676996 367706590 /nfs/dbraw/zinc/70/65/90/367706590.db2.gz NGOFOMDRSHJMEM-UHFFFAOYSA-N -1 3 238.287 0.871 20 0 BCADHM CCC[C@H](C(=O)N(C)CC(=O)[O-])N(C)C ZINC000566225072 326017589 /nfs/dbraw/zinc/01/75/89/326017589.db2.gz RPCMRMQIYHMHOG-MRVPVSSYSA-N -1 3 216.281 0.260 20 0 BCADHM CC[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@@H](C)O ZINC000387223456 368116329 /nfs/dbraw/zinc/11/63/29/368116329.db2.gz ZVPATSRCZYTWPV-GMSGAONNSA-N -1 3 239.271 0.987 20 0 BCADHM O=S(=O)([N-]CCF)c1cccc2nonc21 ZINC000035785359 368265283 /nfs/dbraw/zinc/26/52/83/368265283.db2.gz RKSWKPKJSFJOHK-UHFFFAOYSA-N -1 3 245.235 0.471 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCOC1 ZINC000615764169 368287325 /nfs/dbraw/zinc/28/73/25/368287325.db2.gz NRZYDHGSMYMPQW-UHFFFAOYSA-N -1 3 218.216 0.388 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCOC1 ZINC000615764169 368287333 /nfs/dbraw/zinc/28/73/33/368287333.db2.gz NRZYDHGSMYMPQW-UHFFFAOYSA-N -1 3 218.216 0.388 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCOC1 ZINC000615764169 368287338 /nfs/dbraw/zinc/28/73/38/368287338.db2.gz NRZYDHGSMYMPQW-UHFFFAOYSA-N -1 3 218.216 0.388 20 0 BCADHM CCCC(=O)NCc1nnc(C(=O)OCC)[n-]1 ZINC000615919173 368661656 /nfs/dbraw/zinc/66/16/56/368661656.db2.gz CGYCASFXOONJAO-UHFFFAOYSA-N -1 3 240.263 0.398 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)C[C@H](OC)C1CC1 ZINC000567585066 326222928 /nfs/dbraw/zinc/22/29/28/326222928.db2.gz MIKYVCOBXOCZJN-JTQLQIEISA-N -1 3 249.332 0.310 20 0 BCADHM CCCNC(=O)CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000567858093 326272177 /nfs/dbraw/zinc/27/21/77/326272177.db2.gz VCMAQDHILLDMKD-UWVGGRQHSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)C(F)(F)F ZINC000627305018 369850826 /nfs/dbraw/zinc/85/08/26/369850826.db2.gz LMCPGWCEAPTSFP-SCSAIBSYSA-N -1 3 235.165 0.863 20 0 BCADHM CC1(C)OCC[C@H]1CNC(=O)c1c[n-]nn1 ZINC000620511229 369902307 /nfs/dbraw/zinc/90/23/07/369902307.db2.gz YGYYWHPVZHLFRT-ZETCQYMHSA-N -1 3 224.264 0.350 20 0 BCADHM CC1(C)OCC[C@H]1CNC(=O)c1cnn[n-]1 ZINC000620511229 369902309 /nfs/dbraw/zinc/90/23/09/369902309.db2.gz YGYYWHPVZHLFRT-ZETCQYMHSA-N -1 3 224.264 0.350 20 0 BCADHM CC1(C)OCC[C@H]1CNC(=O)c1cn[n-]n1 ZINC000620511229 369902311 /nfs/dbraw/zinc/90/23/11/369902311.db2.gz YGYYWHPVZHLFRT-ZETCQYMHSA-N -1 3 224.264 0.350 20 0 BCADHM Cc1cc(C(=O)N[C@H]2C[C@H](O)C2)ccc1[O-] ZINC000620875585 370028025 /nfs/dbraw/zinc/02/80/25/370028025.db2.gz BYNPCDNRJKRVJJ-MGCOHNPYSA-N -1 3 221.256 0.954 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C1)c1cccc2nn[n-]c21 ZINC000620876064 370028954 /nfs/dbraw/zinc/02/89/54/370028954.db2.gz RMEJZLCCYCAFNC-LJGSYFOKSA-N -1 3 232.243 0.211 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C1)c1cccc2[n-]nnc21 ZINC000620876064 370028956 /nfs/dbraw/zinc/02/89/56/370028956.db2.gz RMEJZLCCYCAFNC-LJGSYFOKSA-N -1 3 232.243 0.211 20 0 BCADHM O=C(N[C@H]1C[C@H](O)C1)c1cccc2n[n-]nc21 ZINC000620876064 370028960 /nfs/dbraw/zinc/02/89/60/370028960.db2.gz RMEJZLCCYCAFNC-LJGSYFOKSA-N -1 3 232.243 0.211 20 0 BCADHM C[C@H](O)[C@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000620986645 370068345 /nfs/dbraw/zinc/06/83/45/370068345.db2.gz QQIWUWNJGJUBTB-KWQFWETISA-N -1 3 246.270 0.657 20 0 BCADHM C[C@H](O)[C@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000620986645 370068348 /nfs/dbraw/zinc/06/83/48/370068348.db2.gz QQIWUWNJGJUBTB-KWQFWETISA-N -1 3 246.270 0.657 20 0 BCADHM C[C@H](O)[C@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000620986645 370068354 /nfs/dbraw/zinc/06/83/54/370068354.db2.gz QQIWUWNJGJUBTB-KWQFWETISA-N -1 3 246.270 0.657 20 0 BCADHM CCOCCNC(=O)c1cc(F)c[n-]c1=O ZINC000621626134 370408654 /nfs/dbraw/zinc/40/86/54/370408654.db2.gz AZBVPYRMCXVFOY-UHFFFAOYSA-N -1 3 228.223 0.693 20 0 BCADHM C[C@@H](O)CCN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621910634 370594612 /nfs/dbraw/zinc/59/46/12/370594612.db2.gz GEGFHNIGLQZCKL-SSDOTTSWSA-N -1 3 242.250 0.769 20 0 BCADHM CN(C(=O)c1cc(F)c[n-]c1=O)[C@H]1CCOC1 ZINC000621915122 370597832 /nfs/dbraw/zinc/59/78/32/370597832.db2.gz RREPTXJVAVRKKT-QMMMGPOBSA-N -1 3 240.234 0.787 20 0 BCADHM CO[C@H]1CCN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000621901558 370591506 /nfs/dbraw/zinc/59/15/06/370591506.db2.gz BFGVVLSSIYDYAR-QMMMGPOBSA-N -1 3 240.234 0.787 20 0 BCADHM C[C@H]1C[C@H](O)CN1C(=O)c1cc(F)c[n-]c1=O ZINC000621969049 370627654 /nfs/dbraw/zinc/62/76/54/370627654.db2.gz FDPSYUGLCFRSOT-XPUUQOCRSA-N -1 3 240.234 0.522 20 0 BCADHM C[C@H]1CN(C(=O)c2cc(F)c[n-]c2=O)C[C@H]1O ZINC000621940023 370611352 /nfs/dbraw/zinc/61/13/52/370611352.db2.gz YVHHBAUZTCCZKI-IMTBSYHQSA-N -1 3 240.234 0.379 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCCSCC1 ZINC000624220441 371410349 /nfs/dbraw/zinc/41/03/49/371410349.db2.gz VGCNPAVXXBKPGV-UHFFFAOYSA-N -1 3 239.300 0.761 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCSCC1 ZINC000624244546 371430997 /nfs/dbraw/zinc/43/09/97/371430997.db2.gz AMCOIAMLBYHQLJ-UHFFFAOYSA-N -1 3 225.273 0.371 20 0 BCADHM CCOCCCCNC(=O)c1cc(=O)[n-]cn1 ZINC000624392982 371498141 /nfs/dbraw/zinc/49/81/41/371498141.db2.gz GBKGIRHJBBDRQO-UHFFFAOYSA-N -1 3 239.275 0.729 20 0 BCADHM C[C@@H]1[C@@H](C)CN1C(=O)c1cc(=O)[n-]cn1 ZINC000627537284 371689809 /nfs/dbraw/zinc/68/98/09/371689809.db2.gz BXSUQWDAMUNREZ-NKWVEPMBSA-N -1 3 207.233 0.663 20 0 BCADHM C[C@H](CCCO)CNC(=O)c1cc(=O)[n-]cn1 ZINC000627578941 371748215 /nfs/dbraw/zinc/74/82/15/371748215.db2.gz QZFQPKNHWCTZMX-MRVPVSSYSA-N -1 3 239.275 0.321 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC[C@H](F)C1 ZINC000627607742 371775052 /nfs/dbraw/zinc/77/50/52/371775052.db2.gz GMYFXYIMGZZBEE-LURJTMIESA-N -1 3 211.196 0.366 20 0 BCADHM C[C@H]1CC[C@@H](CNC(=O)c2cc(=O)[n-]cn2)O1 ZINC000627713386 371877000 /nfs/dbraw/zinc/87/70/00/371877000.db2.gz QCCOWWRNSSGWGL-YUMQZZPRSA-N -1 3 237.259 0.480 20 0 BCADHM C[C@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)CO1 ZINC000627968569 372167306 /nfs/dbraw/zinc/16/73/06/372167306.db2.gz DNZIRORYIQLSGU-NKWVEPMBSA-N -1 3 223.232 0.089 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CN(C)C(=O)[C@H]1C ZINC000627971872 372168750 /nfs/dbraw/zinc/16/87/50/372168750.db2.gz GHUIMKJDFIDJEC-SECBINFHSA-N -1 3 248.282 0.961 20 0 BCADHM CC(C)n1cnc(NC(=O)c2cc(=O)[n-]cn2)n1 ZINC000627983485 372177819 /nfs/dbraw/zinc/17/78/19/372177819.db2.gz YAHAJZDTVKRSTI-UHFFFAOYSA-N -1 3 248.246 0.607 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C(C)C ZINC000631631198 372469252 /nfs/dbraw/zinc/46/92/52/372469252.db2.gz GGBNWKSVCMXXDA-UHFFFAOYSA-N -1 3 204.251 0.670 20 0 BCADHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1conc1C ZINC000632006354 372721970 /nfs/dbraw/zinc/72/19/70/372721970.db2.gz WWSWTOAEAKWFLU-SECBINFHSA-N -1 3 248.304 0.422 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO ZINC000632018151 372726439 /nfs/dbraw/zinc/72/64/39/372726439.db2.gz SVUOYDNSDAEHFF-BQBZGAKWSA-N -1 3 248.304 0.278 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H](C)[C@H](C)CO ZINC000632018153 372726466 /nfs/dbraw/zinc/72/64/66/372726466.db2.gz SVUOYDNSDAEHFF-RNFRBKRXSA-N -1 3 248.304 0.278 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]C1(C)CCC1 ZINC000632143191 372779202 /nfs/dbraw/zinc/77/92/02/372779202.db2.gz PWRZOFQLGRZZLR-UHFFFAOYSA-N -1 3 230.293 0.036 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1nncn1C)C1CCC1 ZINC000632145152 372780861 /nfs/dbraw/zinc/78/08/61/372780861.db2.gz WYQDDWRJVWUYDH-SSDOTTSWSA-N -1 3 244.320 0.282 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H](C)C[C@@H](C)O ZINC000632200653 372804364 /nfs/dbraw/zinc/80/43/64/372804364.db2.gz KBAJGJDYRXUUSD-RNFRBKRXSA-N -1 3 248.304 0.421 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CCC(C)(C)O ZINC000632234742 372817153 /nfs/dbraw/zinc/81/71/53/372817153.db2.gz GINWUTFANOTDET-UHFFFAOYSA-N -1 3 248.304 0.422 20 0 BCADHM COc1nc(NC(=O)C2CSC2)n[n-]1 ZINC000632257433 372842555 /nfs/dbraw/zinc/84/25/55/372842555.db2.gz GUVMDOIPYTVWQC-UHFFFAOYSA-N -1 3 214.250 0.115 20 0 BCADHM COc1nnc(NC(=O)C2CSC2)[n-]1 ZINC000632257433 372842556 /nfs/dbraw/zinc/84/25/56/372842556.db2.gz GUVMDOIPYTVWQC-UHFFFAOYSA-N -1 3 214.250 0.115 20 0 BCADHM COc1n[n-]c(NC(=O)C2CSC2)n1 ZINC000632257433 372842557 /nfs/dbraw/zinc/84/25/57/372842557.db2.gz GUVMDOIPYTVWQC-UHFFFAOYSA-N -1 3 214.250 0.115 20 0 BCADHM CCC(C)(C)C[N-]S(=O)(=O)c1nncn1C ZINC000632276323 372852872 /nfs/dbraw/zinc/85/28/72/372852872.db2.gz FUAXGBPTVLMHKT-UHFFFAOYSA-N -1 3 246.336 0.530 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]CCCCO ZINC000632285109 372863643 /nfs/dbraw/zinc/86/36/43/372863643.db2.gz DPVGLSLOZKQVNA-UHFFFAOYSA-N -1 3 234.277 0.034 20 0 BCADHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1nncn1C ZINC000632409719 372924685 /nfs/dbraw/zinc/92/46/85/372924685.db2.gz HUDPDLNFBGIVEZ-SFYZADRCSA-N -1 3 244.320 0.140 20 0 BCADHM O=C(C[C@@H]1COCCN1)Nc1ncccc1[O-] ZINC000134758867 182021442 /nfs/dbraw/zinc/02/14/42/182021442.db2.gz PUJHPHQXXZSOJU-MRVPVSSYSA-N -1 3 237.259 0.104 20 0 BCADHM O=C(C[C@@H]1COC(=O)C1)Nc1ncccc1[O-] ZINC000132855873 182022077 /nfs/dbraw/zinc/02/20/77/182022077.db2.gz CTNFYSDDZLMOFZ-ZETCQYMHSA-N -1 3 236.227 0.679 20 0 BCADHM O=C(CCCCO)Nc1ncccc1[O-] ZINC000632400309 372920226 /nfs/dbraw/zinc/92/02/26/372920226.db2.gz NXSXLUJWCQZTFU-UHFFFAOYSA-N -1 3 210.233 0.888 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)C[C@H]2CCCO2)CC1 ZINC000632448733 372951741 /nfs/dbraw/zinc/95/17/41/372951741.db2.gz VQSBWSUFHMVJJF-SECBINFHSA-N -1 3 247.316 0.206 20 0 BCADHM O=S(=O)([N-][C@H]1C[C@@H](O)C1)c1cncc(F)c1 ZINC000632430238 372938290 /nfs/dbraw/zinc/93/82/90/372938290.db2.gz JKDSJLZCYTYOHR-OCAPTIKFSA-N -1 3 246.263 0.022 20 0 BCADHM CC[C@@H](CS(=O)(=O)[N-]C1(C(C)=O)CC1)OC ZINC000632446368 372950330 /nfs/dbraw/zinc/95/03/30/372950330.db2.gz FDAYXHONDSLYKG-VIFPVBQESA-N -1 3 249.332 0.452 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C1([C@H](C)O)CC1 ZINC000632569237 373010080 /nfs/dbraw/zinc/01/00/80/373010080.db2.gz DLKVIJBVDSHBIB-ZETCQYMHSA-N -1 3 246.288 0.175 20 0 BCADHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000632627117 373039179 /nfs/dbraw/zinc/03/91/79/373039179.db2.gz BCRRYTVIKYUDEF-HZGVNTEJSA-N -1 3 230.264 0.907 20 0 BCADHM O=C(Cn1cc(Cl)c(=O)[n-]c1=O)C1CC1 ZINC000085632924 182066158 /nfs/dbraw/zinc/06/61/58/182066158.db2.gz FFEIAPRPFAFAAJ-UHFFFAOYSA-N -1 3 228.635 0.169 20 0 BCADHM O=C([N-]C1=NCCS1)[C@H](O)c1ccccc1 ZINC000072658564 182092945 /nfs/dbraw/zinc/09/29/45/182092945.db2.gz XGPDVFOPCHFQQP-SECBINFHSA-N -1 3 236.296 0.939 20 0 BCADHM CC(C)(C)CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521030 373583005 /nfs/dbraw/zinc/58/30/05/373583005.db2.gz HDUBPBZEEOQKJR-UHFFFAOYSA-N -1 3 239.275 0.940 20 0 BCADHM CC(C)[C@@H](C)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633521370 373583429 /nfs/dbraw/zinc/58/34/29/373583429.db2.gz JPDMJHOHZUPIIK-SSDOTTSWSA-N -1 3 239.275 0.796 20 0 BCADHM CCC[C@H](CCO)NC(=O)c1c[n-]nn1 ZINC000633825619 373776909 /nfs/dbraw/zinc/77/69/09/373776909.db2.gz SJLAVZCWYCTURK-SSDOTTSWSA-N -1 3 212.253 0.086 20 0 BCADHM CCC[C@H](CCO)NC(=O)c1cnn[n-]1 ZINC000633825619 373776916 /nfs/dbraw/zinc/77/69/16/373776916.db2.gz SJLAVZCWYCTURK-SSDOTTSWSA-N -1 3 212.253 0.086 20 0 BCADHM CCC[C@H](CCO)NC(=O)c1cn[n-]n1 ZINC000633825619 373776922 /nfs/dbraw/zinc/77/69/22/373776922.db2.gz SJLAVZCWYCTURK-SSDOTTSWSA-N -1 3 212.253 0.086 20 0 BCADHM O=C(NCCN1CCCC1)c1cncc([O-])c1 ZINC000111740033 182184219 /nfs/dbraw/zinc/18/42/19/182184219.db2.gz JRDPFUYSJXLHOR-UHFFFAOYSA-N -1 3 235.287 0.613 20 0 BCADHM O=C(NCCNC(=O)C1CC1)c1cccc([O-])c1 ZINC000166955378 182186418 /nfs/dbraw/zinc/18/64/18/182186418.db2.gz VSPBBCAWQAJBBO-UHFFFAOYSA-N -1 3 248.282 0.648 20 0 BCADHM O=C(NCCO)NCc1ccc([O-])c(F)c1 ZINC000152754839 182190492 /nfs/dbraw/zinc/19/04/92/182190492.db2.gz CJSMAAGDXKDABA-UHFFFAOYSA-N -1 3 228.223 0.323 20 0 BCADHM O=C(NCCO)c1cc2c(cc1[O-])CCCC2 ZINC000299273236 182191291 /nfs/dbraw/zinc/19/12/91/182191291.db2.gz ZEFHUUBDEJPEPT-UHFFFAOYSA-N -1 3 235.283 0.993 20 0 BCADHM O=C(NC[C@@H]1CC=CCC1)c1c[n-]nn1 ZINC000049277952 182223142 /nfs/dbraw/zinc/22/31/42/182223142.db2.gz OPUATPSBWOHCRN-MRVPVSSYSA-N -1 3 206.249 0.891 20 0 BCADHM O=C(NC[C@@H]1CC=CCC1)c1cnn[n-]1 ZINC000049277952 182223144 /nfs/dbraw/zinc/22/31/44/182223144.db2.gz OPUATPSBWOHCRN-MRVPVSSYSA-N -1 3 206.249 0.891 20 0 BCADHM O=C(NC[C@@H]1CC=CCC1)c1cn[n-]n1 ZINC000049277952 182223146 /nfs/dbraw/zinc/22/31/46/182223146.db2.gz OPUATPSBWOHCRN-MRVPVSSYSA-N -1 3 206.249 0.891 20 0 BCADHM O=C(NCCn1cncn1)c1cccc([O-])c1 ZINC000357383539 182217044 /nfs/dbraw/zinc/21/70/44/182217044.db2.gz YGPFSBANPHEQSI-UHFFFAOYSA-N -1 3 232.243 0.414 20 0 BCADHM O=C(NC[C@H](O)C1CC1)c1ccc2n[n-]nc2c1 ZINC000071303493 182232585 /nfs/dbraw/zinc/23/25/85/182232585.db2.gz AHTBPXNAIASPDF-NSHDSACASA-N -1 3 246.270 0.459 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@@H]1CCOC1 ZINC000331020924 182273345 /nfs/dbraw/zinc/27/33/45/182273345.db2.gz PAVWQOJPHIPXGA-MRVPVSSYSA-N -1 3 222.244 0.440 20 0 BCADHM O=C(NCc1ncccc1[O-])c1cc[nH]c(=O)c1 ZINC000352516249 182273842 /nfs/dbraw/zinc/27/38/42/182273842.db2.gz KLPIFEVTRRZTRJ-UHFFFAOYSA-N -1 3 245.238 0.818 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@H]1CCOC1 ZINC000331020925 182273861 /nfs/dbraw/zinc/27/38/61/182273861.db2.gz PAVWQOJPHIPXGA-QMMMGPOBSA-N -1 3 222.244 0.440 20 0 BCADHM O=C(NCc1nnc(C(F)(F)F)[n-]1)C1CC1 ZINC000331918128 182271719 /nfs/dbraw/zinc/27/17/19/182271719.db2.gz LJCLCGIWJXDJAJ-UHFFFAOYSA-N -1 3 234.181 0.850 20 0 BCADHM O=C(NCc1n[n-]c(C(F)(F)F)n1)C1CC1 ZINC000331918128 182271721 /nfs/dbraw/zinc/27/17/21/182271721.db2.gz LJCLCGIWJXDJAJ-UHFFFAOYSA-N -1 3 234.181 0.850 20 0 BCADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)C1CC1 ZINC000331918128 182271722 /nfs/dbraw/zinc/27/17/22/182271722.db2.gz LJCLCGIWJXDJAJ-UHFFFAOYSA-N -1 3 234.181 0.850 20 0 BCADHM O=C(NN1CCOCC1)c1ccccc1[O-] ZINC000012031291 182278203 /nfs/dbraw/zinc/27/82/03/182278203.db2.gz UPRXYDCPFSFBRB-UHFFFAOYSA-N -1 3 222.244 0.369 20 0 BCADHM O=C(N[C@@H]1C=C[C@H](CO)C1)c1c([O-])cccc1O ZINC000180857242 182288322 /nfs/dbraw/zinc/28/83/22/182288322.db2.gz SOBASUCAHWTJCG-DTWKUNHWSA-N -1 3 249.266 0.765 20 0 BCADHM O=C(N[C@@H]1CCN(C2CC2)C1)c1ncccc1[O-] ZINC000044679276 182302258 /nfs/dbraw/zinc/30/22/58/182302258.db2.gz CYWNVINPBQKFSQ-SECBINFHSA-N -1 3 247.298 0.754 20 0 BCADHM O=C(N[C@H](C1CC1)C(F)(F)F)c1c[n-]nn1 ZINC000288700988 182322085 /nfs/dbraw/zinc/32/20/85/182322085.db2.gz WVHQUHRGZWYTOM-ZCFIWIBFSA-N -1 3 234.181 0.875 20 0 BCADHM O=C(N[C@H](C1CC1)C(F)(F)F)c1cnn[n-]1 ZINC000288700988 182322086 /nfs/dbraw/zinc/32/20/86/182322086.db2.gz WVHQUHRGZWYTOM-ZCFIWIBFSA-N -1 3 234.181 0.875 20 0 BCADHM O=C(N[C@H](C1CC1)C(F)(F)F)c1cn[n-]n1 ZINC000288700988 182322090 /nfs/dbraw/zinc/32/20/90/182322090.db2.gz WVHQUHRGZWYTOM-ZCFIWIBFSA-N -1 3 234.181 0.875 20 0 BCADHM O=C([N-][C@H]1COc2ccccc2[C@H]1O)C(F)F ZINC000290631956 182343999 /nfs/dbraw/zinc/34/39/99/182343999.db2.gz MHESQUUGKWKWMW-IONNQARKSA-N -1 3 243.209 0.862 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1OC(F)F)c1c[n-]nn1 ZINC000337586470 182333213 /nfs/dbraw/zinc/33/32/13/182333213.db2.gz FOFBOOMKYKICQF-FSPLSTOPSA-N -1 3 246.217 0.695 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1OC(F)F)c1cnn[n-]1 ZINC000337586470 182333214 /nfs/dbraw/zinc/33/32/14/182333214.db2.gz FOFBOOMKYKICQF-FSPLSTOPSA-N -1 3 246.217 0.695 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1OC(F)F)c1cn[n-]n1 ZINC000337586470 182333215 /nfs/dbraw/zinc/33/32/15/182333215.db2.gz FOFBOOMKYKICQF-FSPLSTOPSA-N -1 3 246.217 0.695 20 0 BCADHM O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1c[n-]nn1 ZINC000185056992 182337441 /nfs/dbraw/zinc/33/74/41/182337441.db2.gz UEYLVHHVLNNTHV-WPRPVWTQSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cnn[n-]1 ZINC000185056992 182337444 /nfs/dbraw/zinc/33/74/44/182337444.db2.gz UEYLVHHVLNNTHV-WPRPVWTQSA-N -1 3 236.275 0.492 20 0 BCADHM O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cn[n-]n1 ZINC000185056992 182337446 /nfs/dbraw/zinc/33/74/46/182337446.db2.gz UEYLVHHVLNNTHV-WPRPVWTQSA-N -1 3 236.275 0.492 20 0 BCADHM C[C@@H](O)CN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459497540 206131736 /nfs/dbraw/zinc/13/17/36/206131736.db2.gz JVXIVEFJXSKRKD-MRVPVSSYSA-N -1 3 237.303 0.872 20 0 BCADHM O=C(Nc1cccc2c1CCO2)c1cnn[n-]1 ZINC000357698054 182373872 /nfs/dbraw/zinc/37/38/72/182373872.db2.gz OTOBVIJDVOOCBR-UHFFFAOYSA-N -1 3 230.227 0.992 20 0 BCADHM O=C(Nc1cccc2c1CCO2)c1c[n-]nn1 ZINC000357698054 182373875 /nfs/dbraw/zinc/37/38/75/182373875.db2.gz OTOBVIJDVOOCBR-UHFFFAOYSA-N -1 3 230.227 0.992 20 0 BCADHM O=C(Nc1cccc2c1CCO2)c1cn[n-]n1 ZINC000357698054 182373878 /nfs/dbraw/zinc/37/38/78/182373878.db2.gz OTOBVIJDVOOCBR-UHFFFAOYSA-N -1 3 230.227 0.992 20 0 BCADHM O=C(Nc1cccc2c[nH]nc21)c1cnn[n-]1 ZINC000108453499 182373946 /nfs/dbraw/zinc/37/39/46/182373946.db2.gz HNTKMASSLYHDHF-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1cccc2c[nH]nc21)c1c[n-]nn1 ZINC000108453499 182373950 /nfs/dbraw/zinc/37/39/50/182373950.db2.gz HNTKMASSLYHDHF-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1cccc2c[nH]nc21)c1cn[n-]n1 ZINC000108453499 182373953 /nfs/dbraw/zinc/37/39/53/182373953.db2.gz HNTKMASSLYHDHF-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1cn[nH]c1)c1ccc2[n-]c(=O)nc-2[nH]1 ZINC000339432604 182391966 /nfs/dbraw/zinc/39/19/66/182391966.db2.gz COIRWKJVOXTDDN-UHFFFAOYSA-N -1 3 244.214 0.639 20 0 BCADHM O=C(Nc1ccccc1[O-])C(=O)NC1CC1 ZINC000170360811 182380505 /nfs/dbraw/zinc/38/05/05/182380505.db2.gz KEVIZAAMEFAIMX-UHFFFAOYSA-N -1 3 220.228 0.609 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@H]1CNCCO1 ZINC000070609675 182380606 /nfs/dbraw/zinc/38/06/06/182380606.db2.gz ICUSEFUBBNBMQB-SNVBAGLBSA-N -1 3 222.244 0.319 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1ccc2[nH]c(=O)[nH]c2n1 ZINC000339434294 182397903 /nfs/dbraw/zinc/39/79/03/182397903.db2.gz YBWATPDYVNUUCH-UHFFFAOYSA-N -1 3 245.202 0.034 20 0 BCADHM O=C(Nc1ncccc1[O-])C1(O)CCC1 ZINC000121939210 182399262 /nfs/dbraw/zinc/39/92/62/182399262.db2.gz CGDIUTSJFVPZIV-UHFFFAOYSA-N -1 3 208.217 0.641 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1cnc2nccnc2c1 ZINC000353752623 182399453 /nfs/dbraw/zinc/39/94/53/182399453.db2.gz IHBDAXFAJOJEPW-UHFFFAOYSA-N -1 3 241.214 0.395 20 0 BCADHM O=c1[n-]c(=O)n(C[C@H]2CCOC2)cc1Cl ZINC000306235564 183009846 /nfs/dbraw/zinc/00/98/46/183009846.db2.gz NWWZVDLXGKVBHZ-ZCFIWIBFSA-N -1 3 230.651 0.639 20 0 BCADHM O=c1nc(CCCNc2ccccn2)[nH][n-]1 ZINC000301557811 183010251 /nfs/dbraw/zinc/01/02/51/183010251.db2.gz SWKOEYIKYYXNKJ-UHFFFAOYSA-N -1 3 219.248 0.538 20 0 BCADHM OCCC1(N=c2ncnc3[nH][n-]cc2-3)CC1 ZINC000336674031 183042581 /nfs/dbraw/zinc/04/25/81/183042581.db2.gz JYRQIWSUXHSDGY-UHFFFAOYSA-N -1 3 219.248 0.053 20 0 BCADHM CCCCn1cc(Cl)c(=O)[n-]c1=O ZINC000085632961 169037297 /nfs/dbraw/zinc/03/72/97/169037297.db2.gz HNELUQOSVGMQSF-UHFFFAOYSA-N -1 3 202.641 0.990 20 0 BCADHM [O-]c1cc(F)cc(CN2CCO[C@@H](CO)C2)c1 ZINC000274611796 183155181 /nfs/dbraw/zinc/15/51/81/183155181.db2.gz UOHSZQJQTZFZDM-GFCCVEGCSA-N -1 3 241.262 0.724 20 0 BCADHM CCCN(C)S(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000337059830 169082955 /nfs/dbraw/zinc/08/29/55/169082955.db2.gz RLTNFCAZMCWZQQ-UHFFFAOYSA-N -1 3 242.291 0.960 20 0 BCADHM [O-]c1cc(F)cc(CN2C[C@@H](O)[C@H](O)C2)c1 ZINC000278410750 183258250 /nfs/dbraw/zinc/25/82/50/183258250.db2.gz PZRZEJMOJOFKQC-GHMZBOCLSA-N -1 3 227.235 0.069 20 0 BCADHM O=c1[n-]c(CN2CC[C@@H]([C@H]3CCOC3)C2)n[nH]1 ZINC000340911520 183306109 /nfs/dbraw/zinc/30/61/09/183306109.db2.gz IHWNHVCWDCLRRR-BDAKNGLRSA-N -1 3 238.291 0.369 20 0 BCADHM O=c1[n-]c(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)n[nH]1 ZINC000331403932 183306732 /nfs/dbraw/zinc/30/67/32/183306732.db2.gz BFHOPARPCKEUNB-YIZRAAEISA-N -1 3 238.291 0.103 20 0 BCADHM CCC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000052096206 169273367 /nfs/dbraw/zinc/27/33/67/169273367.db2.gz HQASZVUZVXVHKF-UHFFFAOYSA-N -1 3 203.267 0.108 20 0 BCADHM CCC[C@@H](CCO)CNC(=O)c1c[n-]nn1 ZINC000176187723 169381887 /nfs/dbraw/zinc/38/18/87/169381887.db2.gz AYAPCNZCNCMSFD-QMMMGPOBSA-N -1 3 226.280 0.333 20 0 BCADHM CCC[C@@H](CCO)CNC(=O)c1cnn[n-]1 ZINC000176187723 169381888 /nfs/dbraw/zinc/38/18/88/169381888.db2.gz AYAPCNZCNCMSFD-QMMMGPOBSA-N -1 3 226.280 0.333 20 0 BCADHM CCC[C@@H](CCO)CNC(=O)c1cn[n-]n1 ZINC000176187723 169381889 /nfs/dbraw/zinc/38/18/89/169381889.db2.gz AYAPCNZCNCMSFD-QMMMGPOBSA-N -1 3 226.280 0.333 20 0 BCADHM CCC[C@@H](N)C(=O)Nc1ncccc1[O-] ZINC000125058014 169393076 /nfs/dbraw/zinc/39/30/76/169393076.db2.gz YSDAFRPMDNBFKQ-SSDOTTSWSA-N -1 3 209.249 0.853 20 0 BCADHM C[C@@H](CC(N)=O)NC(=O)c1ccc(O)cc1[O-] ZINC000226301676 259609483 /nfs/dbraw/zinc/60/94/83/259609483.db2.gz YVXPKVAGVHPOMB-LURJTMIESA-N -1 3 238.243 0.092 20 0 BCADHM CC[C@@H]1CC[C@H](C(=O)[N-]c2nncn2C)O1 ZINC000275209177 171050189 /nfs/dbraw/zinc/05/01/89/171050189.db2.gz OOVVLQFRKKDJKP-HTQZYQBOSA-N -1 3 224.264 0.711 20 0 BCADHM COC(C)(C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522262285 259625407 /nfs/dbraw/zinc/62/54/07/259625407.db2.gz NYLPRIWVXCHCJG-QMMMGPOBSA-N -1 3 241.291 0.040 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC(=O)N[C@H](C)C2)c1 ZINC000295906051 383886375 /nfs/dbraw/zinc/88/63/75/383886375.db2.gz GUQTWXHSMKBBFV-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM O=C1N=NC2CN(Cc3ncccc3[O-])CCN12 ZINC000558407012 383987304 /nfs/dbraw/zinc/98/73/04/383987304.db2.gz ZOUXNCXKWAJVOF-UHFFFAOYSA-N -1 3 247.258 0.100 20 0 BCADHM O=c1[nH]nc2n1CCN(Cc1ncccc1[O-])C2 ZINC000558407012 383987308 /nfs/dbraw/zinc/98/73/08/383987308.db2.gz ZOUXNCXKWAJVOF-UHFFFAOYSA-N -1 3 247.258 0.100 20 0 BCADHM CCN(CCOCCO)Cc1ncccc1[O-] ZINC000558409650 383990224 /nfs/dbraw/zinc/99/02/24/383990224.db2.gz XLTZJUBHNAUSAT-UHFFFAOYSA-N -1 3 240.303 0.618 20 0 BCADHM C[C@@H](O)CN(C)C(=O)c1cccc2[n-]nnc21 ZINC000569418753 383999285 /nfs/dbraw/zinc/99/92/85/383999285.db2.gz ROZWERXBXQFTDV-SSDOTTSWSA-N -1 3 234.259 0.411 20 0 BCADHM C[C@@H](O)CN(C)C(=O)c1cccc2nn[n-]c21 ZINC000569418753 383999289 /nfs/dbraw/zinc/99/92/89/383999289.db2.gz ROZWERXBXQFTDV-SSDOTTSWSA-N -1 3 234.259 0.411 20 0 BCADHM C[C@@H](O)CN(C)C(=O)c1cccc2n[n-]nc21 ZINC000569418753 383999293 /nfs/dbraw/zinc/99/92/93/383999293.db2.gz ROZWERXBXQFTDV-SSDOTTSWSA-N -1 3 234.259 0.411 20 0 BCADHM Cc1ccc(/C=C/C(=O)[N-]OCC(N)=O)o1 ZINC000089508893 383973453 /nfs/dbraw/zinc/97/34/53/383973453.db2.gz JZYALUUVTRKRKS-SNAWJCMRSA-N -1 3 224.216 0.134 20 0 BCADHM CC[C@@H](CN1CCCC1)NC(=O)[C@H](C)C(=O)[O-] ZINC000647157625 384050753 /nfs/dbraw/zinc/05/07/53/384050753.db2.gz MCSURWXOBSAMCN-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCOCC1 ZINC000070248376 384092865 /nfs/dbraw/zinc/09/28/65/384092865.db2.gz GISRALSWDKNDED-UHFFFAOYSA-N -1 3 232.243 0.430 20 0 BCADHM O=C(N[C@H]1CCOC1)c1c([O-])cccc1O ZINC000092126012 384147344 /nfs/dbraw/zinc/14/73/44/384147344.db2.gz WHQCPQSXJVQEKR-ZETCQYMHSA-N -1 3 223.228 0.617 20 0 BCADHM COC[C@@H](O)CNC(=O)c1cc(C)ccc1[O-] ZINC000071263791 384155973 /nfs/dbraw/zinc/15/59/73/384155973.db2.gz ZHJKGVDXYPSBPI-VIFPVBQESA-N -1 3 239.271 0.438 20 0 BCADHM COC[C@@H](O)CNC(=O)c1cccc(C)c1[O-] ZINC000071267906 384158247 /nfs/dbraw/zinc/15/82/47/384158247.db2.gz XPSHONXLJCZJLC-VIFPVBQESA-N -1 3 239.271 0.438 20 0 BCADHM O=S(=O)([N-][C@@H]1CC=CCC1)c1c[nH]cn1 ZINC000080706501 384172825 /nfs/dbraw/zinc/17/28/25/384172825.db2.gz VFXQBROVNDGPQM-MRVPVSSYSA-N -1 3 227.289 0.797 20 0 BCADHM CC(C)[C@@H](CO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000092404034 384178025 /nfs/dbraw/zinc/17/80/25/384178025.db2.gz WXYUIVIKZSBDON-LLVKDONJSA-N -1 3 248.286 0.705 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C(C)C)c1 ZINC000081685063 384196640 /nfs/dbraw/zinc/19/66/40/384196640.db2.gz VOBFGKHFLRAAHV-UHFFFAOYSA-N -1 3 217.294 0.590 20 0 BCADHM COc1cc(C(=O)NC[C@H](C)O)ccc1[O-] ZINC000082265670 384220135 /nfs/dbraw/zinc/22/01/35/384220135.db2.gz QRZHMKDUNNGRJN-ZETCQYMHSA-N -1 3 225.244 0.511 20 0 BCADHM Cc1ccc([O-])c(CN(CCO)CCCO)n1 ZINC000093323848 384228445 /nfs/dbraw/zinc/22/84/45/384228445.db2.gz UVWLVNMIZDVCGL-UHFFFAOYSA-N -1 3 240.303 0.272 20 0 BCADHM Cc1cc(C(=O)N2CC(=O)N[C@@H](C)C2)ccc1[O-] ZINC000297150074 384264483 /nfs/dbraw/zinc/26/44/83/384264483.db2.gz VJBUIRKPOYJLIE-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM C[C@H](O)CC[N-]S(=O)(=O)c1cccs1 ZINC000082996843 384274159 /nfs/dbraw/zinc/27/41/59/384274159.db2.gz LFRATHXYAUYSKT-ZETCQYMHSA-N -1 3 235.330 0.797 20 0 BCADHM C[C@H](CCCO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000094945318 384321873 /nfs/dbraw/zinc/32/18/73/384321873.db2.gz LNGCSUJZGQIBPI-MRVPVSSYSA-N -1 3 248.286 0.849 20 0 BCADHM CC(C)[C@@H](O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000134232090 384339568 /nfs/dbraw/zinc/33/95/68/384339568.db2.gz GJKIEFSVDNOVKH-NSHDSACASA-N -1 3 248.286 0.705 20 0 BCADHM CC(C)[C@H](O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000134232068 384340825 /nfs/dbraw/zinc/34/08/25/384340825.db2.gz GJKIEFSVDNOVKH-LLVKDONJSA-N -1 3 248.286 0.705 20 0 BCADHM O=C([O-])C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000083884179 384341535 /nfs/dbraw/zinc/34/15/35/384341535.db2.gz RHAZVYLGFIARIB-SECBINFHSA-N -1 3 226.276 0.158 20 0 BCADHM Cc1ccoc1CNC(=O)c1c[n-]nn1 ZINC000335570455 384334624 /nfs/dbraw/zinc/33/46/24/384334624.db2.gz UBLNQMLCINBXRZ-UHFFFAOYSA-N -1 3 206.205 0.636 20 0 BCADHM Cc1ccoc1CNC(=O)c1cnn[n-]1 ZINC000335570455 384334626 /nfs/dbraw/zinc/33/46/26/384334626.db2.gz UBLNQMLCINBXRZ-UHFFFAOYSA-N -1 3 206.205 0.636 20 0 BCADHM Cc1ccoc1CNC(=O)c1cn[n-]n1 ZINC000335570455 384334632 /nfs/dbraw/zinc/33/46/32/384334632.db2.gz UBLNQMLCINBXRZ-UHFFFAOYSA-N -1 3 206.205 0.636 20 0 BCADHM O=C(Nc1ccccc1[O-])[C@H]1CCCC(=O)N1 ZINC000270251144 384506677 /nfs/dbraw/zinc/50/66/77/384506677.db2.gz FXRPCOBNXRMEPF-SECBINFHSA-N -1 3 234.255 0.999 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCOC1 ZINC000082350714 384487988 /nfs/dbraw/zinc/48/79/88/384487988.db2.gz RPMDLWJSIFDFAG-MRVPVSSYSA-N -1 3 246.288 0.359 20 0 BCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000561092026 384490985 /nfs/dbraw/zinc/49/09/85/384490985.db2.gz PYPNLUFLSPLOCQ-YUMQZZPRSA-N -1 3 234.255 0.842 20 0 BCADHM C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000048456143 384492832 /nfs/dbraw/zinc/49/28/32/384492832.db2.gz QASLTVJCNYCTKM-UHFFFAOYSA-N -1 3 248.329 0.292 20 0 BCADHM Cc1cc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)[nH]n1 ZINC000176056107 384534702 /nfs/dbraw/zinc/53/47/02/384534702.db2.gz LCSMBQMAFXIENO-UHFFFAOYSA-N -1 3 249.230 0.480 20 0 BCADHM CS(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000368265875 384521546 /nfs/dbraw/zinc/52/15/46/384521546.db2.gz VMYZSGKFLAFJSK-ZETCQYMHSA-N -1 3 249.238 0.948 20 0 BCADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)NC1CC1 ZINC000049203495 384524819 /nfs/dbraw/zinc/52/48/19/384524819.db2.gz FKKVNRTXFSYPHW-UHFFFAOYSA-N -1 3 245.238 0.854 20 0 BCADHM CC(C)(C)C[C@@H](O)CNC(=O)c1c[n-]nn1 ZINC000172305166 384561874 /nfs/dbraw/zinc/56/18/74/384561874.db2.gz ZXWJDZQIRISSHY-SSDOTTSWSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)(C)C[C@@H](O)CNC(=O)c1cnn[n-]1 ZINC000172305166 384561880 /nfs/dbraw/zinc/56/18/80/384561880.db2.gz ZXWJDZQIRISSHY-SSDOTTSWSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)(C)C[C@@H](O)CNC(=O)c1cn[n-]n1 ZINC000172305166 384561887 /nfs/dbraw/zinc/56/18/87/384561887.db2.gz ZXWJDZQIRISSHY-SSDOTTSWSA-N -1 3 226.280 0.332 20 0 BCADHM COC[C@H]([N-]S(C)(=O)=O)c1ccc(C)o1 ZINC000080788976 384580872 /nfs/dbraw/zinc/58/08/72/384580872.db2.gz BYMBFPLXTUCNNK-QMMMGPOBSA-N -1 3 233.289 0.825 20 0 BCADHM CCON=C([O-])Nc1cncnc1OC ZINC000184088518 384567394 /nfs/dbraw/zinc/56/73/94/384567394.db2.gz RXYFXTGACPJQEX-UHFFFAOYSA-N -1 3 212.209 0.558 20 0 BCADHM CCO[N-]C(=O)Nc1cncnc1OC ZINC000184088518 384567405 /nfs/dbraw/zinc/56/74/05/384567405.db2.gz RXYFXTGACPJQEX-UHFFFAOYSA-N -1 3 212.209 0.558 20 0 BCADHM CCn1cc(S(=O)(=O)[N-]C)nc1C ZINC000050265588 384611951 /nfs/dbraw/zinc/61/19/51/384611951.db2.gz LGAWHIBFEUMLCP-UHFFFAOYSA-N -1 3 203.267 0.120 20 0 BCADHM CN(CCN(C)C1CC1)C(=O)c1cncc([O-])c1 ZINC000184502211 384612766 /nfs/dbraw/zinc/61/27/66/384612766.db2.gz IAWFJLGTDOVYFU-UHFFFAOYSA-N -1 3 249.314 0.953 20 0 BCADHM C[C@H](CO)[C@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000561286661 384621442 /nfs/dbraw/zinc/62/14/42/384621442.db2.gz LTXHWJOLNKRBBM-BDAKNGLRSA-N -1 3 238.287 0.463 20 0 BCADHM C[C@H](NCc1nc(=O)[n-][nH]1)c1ccccc1 ZINC000271599048 384622433 /nfs/dbraw/zinc/62/24/33/384622433.db2.gz AKSCHLCQJJJRMG-QMMMGPOBSA-N -1 3 218.260 0.949 20 0 BCADHM COc1cc(O)cc([N-]S(C)(=O)=O)c1 ZINC000238394500 384635339 /nfs/dbraw/zinc/63/53/39/384635339.db2.gz QMFYXTSIUMTFIH-UHFFFAOYSA-N -1 3 217.246 0.772 20 0 BCADHM CC[C@@H](NC(=O)c1cccc(C)c1[O-])C(N)=O ZINC000294225567 384680378 /nfs/dbraw/zinc/68/03/78/384680378.db2.gz NWCOXJYPDBHCSR-SECBINFHSA-N -1 3 236.271 0.694 20 0 BCADHM C[C@H](O)CN(C)C(=O)c1ccc(O)cc1[O-] ZINC000051817701 384687795 /nfs/dbraw/zinc/68/77/95/384687795.db2.gz SQFQWOGHJHMIKK-ZETCQYMHSA-N -1 3 225.244 0.551 20 0 BCADHM CN(C)c1ccc(NC(=O)c2cnn[n-]2)cn1 ZINC000108453150 384694835 /nfs/dbraw/zinc/69/48/35/384694835.db2.gz HGERBRHLQBVOHB-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CN(C)c1ccc(NC(=O)c2c[n-]nn2)cn1 ZINC000108453150 384694838 /nfs/dbraw/zinc/69/48/38/384694838.db2.gz HGERBRHLQBVOHB-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CN(C)c1ccc(NC(=O)c2cn[n-]n2)cn1 ZINC000108453150 384694842 /nfs/dbraw/zinc/69/48/42/384694842.db2.gz HGERBRHLQBVOHB-UHFFFAOYSA-N -1 3 232.247 0.518 20 0 BCADHM CC1(C)[C@H](NC(=O)c2c[n-]nn2)[C@H]2CCO[C@H]21 ZINC000247014539 384712847 /nfs/dbraw/zinc/71/28/47/384712847.db2.gz IXDLRFJBPLUHNC-FTLITQJKSA-N -1 3 236.275 0.348 20 0 BCADHM CC1(C)[C@H](NC(=O)c2cnn[n-]2)[C@H]2CCO[C@H]21 ZINC000247014539 384712851 /nfs/dbraw/zinc/71/28/51/384712851.db2.gz IXDLRFJBPLUHNC-FTLITQJKSA-N -1 3 236.275 0.348 20 0 BCADHM CC1(C)[C@H](NC(=O)c2cn[n-]n2)[C@H]2CCO[C@H]21 ZINC000247014539 384712859 /nfs/dbraw/zinc/71/28/59/384712859.db2.gz IXDLRFJBPLUHNC-FTLITQJKSA-N -1 3 236.275 0.348 20 0 BCADHM CCO[N-]C(=O)CCc1nc(CSC)no1 ZINC000125378274 384716016 /nfs/dbraw/zinc/71/60/16/384716016.db2.gz NWUSTKGMTJDXIB-UHFFFAOYSA-N -1 3 245.304 0.933 20 0 BCADHM CO[N-]C(=O)[C@H]1Cc2ccccc2N(C)C1 ZINC000363721754 384735808 /nfs/dbraw/zinc/73/58/08/384735808.db2.gz JINILHOCAJSBOV-JTQLQIEISA-N -1 3 220.272 0.973 20 0 BCADHM C[C@@H](CO)C[N-]S(=O)(=O)c1ccccc1F ZINC000083220332 384754551 /nfs/dbraw/zinc/75/45/51/384754551.db2.gz PSPOYPYJAROGTR-MRVPVSSYSA-N -1 3 247.291 0.732 20 0 BCADHM CN(C)CCNC(=O)c1c([O-])cccc1F ZINC000163533356 384820860 /nfs/dbraw/zinc/82/08/60/384820860.db2.gz RSCYUEMJPYMCRY-UHFFFAOYSA-N -1 3 226.251 0.823 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C(N)=O)C2)c1 ZINC000053891467 384809499 /nfs/dbraw/zinc/80/94/99/384809499.db2.gz VGFSIAHTYPTRSP-VIFPVBQESA-N -1 3 248.282 0.648 20 0 BCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)CS1 ZINC000335250447 384870738 /nfs/dbraw/zinc/87/07/38/384870738.db2.gz OZVZFSGDNCMVAM-RNFRBKRXSA-N -1 3 247.345 0.582 20 0 BCADHM CC(=O)[N-]OCC(=O)N[C@H](C)c1cccs1 ZINC000084489730 384874376 /nfs/dbraw/zinc/87/43/76/384874376.db2.gz BJISKYACYJYAEI-SSDOTTSWSA-N -1 3 242.300 0.993 20 0 BCADHM O=S(=O)([N-][C@@H]1CC[C@H]1O)c1ccco1 ZINC000335549222 384887538 /nfs/dbraw/zinc/88/75/38/384887538.db2.gz HXDVIGCZHFVBIB-RNFRBKRXSA-N -1 3 217.246 0.081 20 0 BCADHM CCN(C)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104843595 384847268 /nfs/dbraw/zinc/84/72/68/384847268.db2.gz GKKKBMZMNCWOGL-UHFFFAOYSA-N -1 3 232.239 0.662 20 0 BCADHM C[C@@]1(C(=O)Nc2ncccc2[O-])CNC(=O)C1 ZINC000364044071 384897138 /nfs/dbraw/zinc/89/71/38/384897138.db2.gz SLIFKSRSOWSTST-NSHDSACASA-N -1 3 235.243 0.252 20 0 BCADHM C[C@@H]1CCCN(c2nc3nncc-3c(O)[n-]2)C1 ZINC000106461852 384917732 /nfs/dbraw/zinc/91/77/32/384917732.db2.gz FILVSMXLPXGPMQ-SSDOTTSWSA-N -1 3 233.275 0.883 20 0 BCADHM C[C@@H](F)CCN=c1ncnc2[nH][n-]cc1-2 ZINC000338759528 384947148 /nfs/dbraw/zinc/94/71/48/384947148.db2.gz ZEZIRLWUJBOJRL-ZCFIWIBFSA-N -1 3 209.228 0.886 20 0 BCADHM C[C@@H](C[S@@](C)=O)NC(=O)c1cccc([O-])c1 ZINC000164357332 384968907 /nfs/dbraw/zinc/96/89/07/384968907.db2.gz OEPQUXWMTPKWAX-PWJLMRLQSA-N -1 3 241.312 0.889 20 0 BCADHM Cc1nc(C)c(CNC(=O)c2c[n-]nn2)o1 ZINC000311762801 385013743 /nfs/dbraw/zinc/01/37/43/385013743.db2.gz GDDCTHPDCJPRHF-UHFFFAOYSA-N -1 3 221.220 0.340 20 0 BCADHM Cc1nc(C)c(CNC(=O)c2cnn[n-]2)o1 ZINC000311762801 385013748 /nfs/dbraw/zinc/01/37/48/385013748.db2.gz GDDCTHPDCJPRHF-UHFFFAOYSA-N -1 3 221.220 0.340 20 0 BCADHM Cc1nc(C)c(CNC(=O)c2cn[n-]n2)o1 ZINC000311762801 385013753 /nfs/dbraw/zinc/01/37/53/385013753.db2.gz GDDCTHPDCJPRHF-UHFFFAOYSA-N -1 3 221.220 0.340 20 0 BCADHM CCN(CC(N)=O)C(=O)c1cc(C)ccc1[O-] ZINC000188463601 385055363 /nfs/dbraw/zinc/05/53/63/385055363.db2.gz OMGWJCGQQURQSI-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM CCc1ccc(C(=O)N2CCNC(=O)C2)c([O-])c1 ZINC000188538088 385062489 /nfs/dbraw/zinc/06/24/89/385062489.db2.gz DPDGESJFFCOCDH-UHFFFAOYSA-N -1 3 248.282 0.527 20 0 BCADHM CC(C)C[C@@H](CCO)CNC(=O)c1c[n-]nn1 ZINC000176319806 385062491 /nfs/dbraw/zinc/06/24/91/385062491.db2.gz DXORYWZHCONPFT-SECBINFHSA-N -1 3 240.307 0.579 20 0 BCADHM CC(C)C[C@@H](CCO)CNC(=O)c1cnn[n-]1 ZINC000176319806 385062498 /nfs/dbraw/zinc/06/24/98/385062498.db2.gz DXORYWZHCONPFT-SECBINFHSA-N -1 3 240.307 0.579 20 0 BCADHM CC(C)C[C@@H](CCO)CNC(=O)c1cn[n-]n1 ZINC000176319806 385062502 /nfs/dbraw/zinc/06/25/02/385062502.db2.gz DXORYWZHCONPFT-SECBINFHSA-N -1 3 240.307 0.579 20 0 BCADHM CC[C@](C)(O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000087038030 385071987 /nfs/dbraw/zinc/07/19/87/385071987.db2.gz NJRLQMQCWXNYAW-LBPRGKRZSA-N -1 3 248.286 0.849 20 0 BCADHM C[C@H](O)CN(C)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646952389 385082214 /nfs/dbraw/zinc/08/22/14/385082214.db2.gz RJPLUERNAWEZPY-ZETCQYMHSA-N -1 3 249.270 0.721 20 0 BCADHM CO[C@@H](C)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000189064265 385120091 /nfs/dbraw/zinc/12/00/91/385120091.db2.gz CHIGJAYFLAQHGR-ZETCQYMHSA-N -1 3 234.259 0.723 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCC[C@@H]1CO ZINC000557669800 385086343 /nfs/dbraw/zinc/08/63/43/385086343.db2.gz MROSSXQNNQYCTC-SNVBAGLBSA-N -1 3 236.271 0.313 20 0 BCADHM CC(C)(CCO)C[N-]S(=O)(=O)c1ccco1 ZINC000188736768 385087601 /nfs/dbraw/zinc/08/76/01/385087601.db2.gz NEIYPOBEXJYHGK-UHFFFAOYSA-N -1 3 247.316 0.967 20 0 BCADHM COC[C@@H]([N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000188782260 385090047 /nfs/dbraw/zinc/09/00/47/385090047.db2.gz BXRUIDDPDDQDHG-SECBINFHSA-N -1 3 245.300 0.983 20 0 BCADHM O=C(NCCCCO)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646965853 385091541 /nfs/dbraw/zinc/09/15/41/385091541.db2.gz VUCNNQOVRQJCTM-UHFFFAOYSA-N -1 3 249.270 0.771 20 0 BCADHM O=S(=O)([N-]C1(CO)CCC1)c1ccco1 ZINC000188807642 385092698 /nfs/dbraw/zinc/09/26/98/385092698.db2.gz ZIWRKBXLVNTOFO-UHFFFAOYSA-N -1 3 231.273 0.473 20 0 BCADHM Cc1cc(C(=O)N[C@H]2CCO[C@@H]2C)[n-]c(=O)n1 ZINC000129826966 385190173 /nfs/dbraw/zinc/19/01/73/385190173.db2.gz QFNJSBZORBLBLP-SFYZADRCSA-N -1 3 237.259 0.398 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CC[C@@](C)(O)C2)n1 ZINC000176908609 385157001 /nfs/dbraw/zinc/15/70/01/385157001.db2.gz QNNFNIHYAJDCAT-GFCCVEGCSA-N -1 3 237.303 0.701 20 0 BCADHM C[C@]1(O)CCN(C(=O)c2ccccc2[O-])C1 ZINC000177416147 385235382 /nfs/dbraw/zinc/23/53/82/385235382.db2.gz IZKTVKYVWKXOGX-LBPRGKRZSA-N -1 3 221.256 0.989 20 0 BCADHM CC[C@H](O)CCNC(=O)c1ccc(O)cc1[O-] ZINC000166985006 385290776 /nfs/dbraw/zinc/29/07/76/385290776.db2.gz FRAHXJICYNJVRI-QMMMGPOBSA-N -1 3 239.271 0.989 20 0 BCADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@H](C)CO ZINC000166985349 385291111 /nfs/dbraw/zinc/29/11/11/385291111.db2.gz YTNYVPZQOAMXRH-HTQZYQBOSA-N -1 3 239.271 0.845 20 0 BCADHM CCC[C@H](O)CNC(=O)c1ccc(O)cc1[O-] ZINC000166981920 385291328 /nfs/dbraw/zinc/29/13/28/385291328.db2.gz GIHCEFBIPIZBMR-VIFPVBQESA-N -1 3 239.271 0.989 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC(CC(N)=O)C2)c1 ZINC000280333412 385297335 /nfs/dbraw/zinc/29/73/35/385297335.db2.gz VSNZDHBXVBQPQY-UHFFFAOYSA-N -1 3 248.282 0.648 20 0 BCADHM C[C@H](O)C(C)(C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000167093504 385299245 /nfs/dbraw/zinc/29/92/45/385299245.db2.gz SGIYTUXXNLSVKN-ZETCQYMHSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1C ZINC000427902694 385349811 /nfs/dbraw/zinc/34/98/11/385349811.db2.gz OQJRZTZNAQZBIW-UWVGGRQHSA-N -1 3 249.314 1.000 20 0 BCADHM O=C(Nc1ncccc1[O-])C1CC(=O)C1 ZINC000154792144 385356016 /nfs/dbraw/zinc/35/60/16/385356016.db2.gz HCUJCUDGEGWRQH-UHFFFAOYSA-N -1 3 206.201 0.705 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NCCN1CCC1 ZINC000492521267 385391791 /nfs/dbraw/zinc/39/17/91/385391791.db2.gz PIIBJRSFMKZREH-NSCUHMNNSA-N -1 3 247.298 0.622 20 0 BCADHM C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)Cc1ccon1 ZINC000408028953 385438331 /nfs/dbraw/zinc/43/83/31/385438331.db2.gz RLQCTAXSQYCGRK-CBAPKCEASA-N -1 3 246.288 0.271 20 0 BCADHM Cc1ccc(CC(=O)[N-]O[C@H]2CCNC2=O)cc1 ZINC000179119155 385443078 /nfs/dbraw/zinc/44/30/78/385443078.db2.gz PWLHDGGLNFRAOD-NSHDSACASA-N -1 3 248.282 0.474 20 0 BCADHM CC1=CCN(CCNC(=O)c2c[n-]nn2)CC1 ZINC000570613191 385428505 /nfs/dbraw/zinc/42/85/05/385428505.db2.gz IJUPRMIQQQOCTP-UHFFFAOYSA-N -1 3 235.291 0.187 20 0 BCADHM CC1=CCN(CCNC(=O)c2cn[n-]n2)CC1 ZINC000570613191 385428506 /nfs/dbraw/zinc/42/85/06/385428506.db2.gz IJUPRMIQQQOCTP-UHFFFAOYSA-N -1 3 235.291 0.187 20 0 BCADHM CC1=CCN(CCNC(=O)c2cnn[n-]2)CC1 ZINC000570613191 385428507 /nfs/dbraw/zinc/42/85/07/385428507.db2.gz IJUPRMIQQQOCTP-UHFFFAOYSA-N -1 3 235.291 0.187 20 0 BCADHM C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)Cc1ccon1 ZINC000408028952 385437947 /nfs/dbraw/zinc/43/79/47/385437947.db2.gz RLQCTAXSQYCGRK-APPZFPTMSA-N -1 3 246.288 0.271 20 0 BCADHM COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000171179620 385471887 /nfs/dbraw/zinc/47/18/87/385471887.db2.gz VPCZDDQUFPMZSZ-BQBZGAKWSA-N -1 3 236.227 0.535 20 0 BCADHM CN1CCOC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000408031259 385488375 /nfs/dbraw/zinc/48/83/75/385488375.db2.gz SDBIOEJWMARQRW-SNVBAGLBSA-N -1 3 236.271 0.661 20 0 BCADHM CO[C@H](C)CS(=O)(=O)[N-]Cc1cc(C)no1 ZINC000195140715 385460551 /nfs/dbraw/zinc/46/05/51/385460551.db2.gz IJHJLHPJHORYIL-MRVPVSSYSA-N -1 3 248.304 0.437 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)c1 ZINC000334244634 385525554 /nfs/dbraw/zinc/52/55/54/385525554.db2.gz RXJHUWSYHZAMHG-QMMMGPOBSA-N -1 3 243.332 0.745 20 0 BCADHM C[C@@H]1C[C@H](C(=O)Nc2ccncc2[O-])CC(=O)N1 ZINC000408161525 385580900 /nfs/dbraw/zinc/58/09/00/385580900.db2.gz NCEMGDPFYIHPPR-SFYZADRCSA-N -1 3 249.270 0.062 20 0 BCADHM O=c1ccc([N-]S(=O)(=O)c2cn[nH]c2)c[nH]1 ZINC000336648710 385588937 /nfs/dbraw/zinc/58/89/37/385588937.db2.gz GJCFAGFKCNVHOA-UHFFFAOYSA-N -1 3 240.244 0.311 20 0 BCADHM CS[C@H](C)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000269770752 385634273 /nfs/dbraw/zinc/63/42/73/385634273.db2.gz PHWVXIFSYGIXOJ-SSDOTTSWSA-N -1 3 249.361 0.450 20 0 BCADHM Cn1ncc(CNCc2ccc([O-])c(F)c2)n1 ZINC000293449952 385608445 /nfs/dbraw/zinc/60/84/45/385608445.db2.gz CLQKSONISBRXCM-UHFFFAOYSA-N -1 3 236.250 0.950 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1ccccn1 ZINC000280860491 385611760 /nfs/dbraw/zinc/61/17/60/385611760.db2.gz XMQNITQGPHQRMI-UHFFFAOYSA-N -1 3 238.287 0.833 20 0 BCADHM CC[C@@H]1CN(CC(=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000355727546 385641105 /nfs/dbraw/zinc/64/11/05/385641105.db2.gz BSUKTALPAOWBST-WDEREUQCSA-N -1 3 242.319 0.792 20 0 BCADHM COCC[C@H](CO)NC(=O)c1cccc([O-])c1 ZINC000281182224 385642843 /nfs/dbraw/zinc/64/28/43/385642843.db2.gz CGJMDUKHUPNUNH-SNVBAGLBSA-N -1 3 239.271 0.519 20 0 BCADHM O=S(=O)([N-]C[C@@H](O)C1CC1)c1ccccn1 ZINC000340077987 385644466 /nfs/dbraw/zinc/64/44/66/385644466.db2.gz NSXCHYCWQSBPEH-SECBINFHSA-N -1 3 242.300 0.131 20 0 BCADHM O=S(=O)([N-]C[C@H](O)C1CC1)c1ccccn1 ZINC000340077988 385645524 /nfs/dbraw/zinc/64/55/24/385645524.db2.gz NSXCHYCWQSBPEH-VIFPVBQESA-N -1 3 242.300 0.131 20 0 BCADHM CS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1 ZINC000408208561 385665590 /nfs/dbraw/zinc/66/55/90/385665590.db2.gz XDLYWGYPFAUHML-UHFFFAOYSA-N -1 3 245.182 0.138 20 0 BCADHM CSCCCN(C)Cc1nc(=O)[n-][nH]1 ZINC000281396266 385665669 /nfs/dbraw/zinc/66/56/69/385665669.db2.gz NFZSBNLCPNNTPZ-UHFFFAOYSA-N -1 3 216.310 0.283 20 0 BCADHM CSc1nnc(NC(=O)c2cn(C)cn2)[n-]1 ZINC000270367096 385701697 /nfs/dbraw/zinc/70/16/97/385701697.db2.gz UBWGTFLAHMKRLX-UHFFFAOYSA-N -1 3 238.276 0.512 20 0 BCADHM CSc1n[n-]c(NC(=O)c2cn(C)cn2)n1 ZINC000270367096 385701701 /nfs/dbraw/zinc/70/17/01/385701701.db2.gz UBWGTFLAHMKRLX-UHFFFAOYSA-N -1 3 238.276 0.512 20 0 BCADHM CSc1nc(NC(=O)c2cn(C)cn2)n[n-]1 ZINC000270367096 385701704 /nfs/dbraw/zinc/70/17/04/385701704.db2.gz UBWGTFLAHMKRLX-UHFFFAOYSA-N -1 3 238.276 0.512 20 0 BCADHM CC(C)[C@H](NC(=O)c1cccc([O-])c1)C(N)=O ZINC000182401372 385666939 /nfs/dbraw/zinc/66/69/39/385666939.db2.gz GWARMKDLCGYRCN-JTQLQIEISA-N -1 3 236.271 0.632 20 0 BCADHM CN(CCCO)C(=O)c1ccc(O)cc1[O-] ZINC000282075351 385729112 /nfs/dbraw/zinc/72/91/12/385729112.db2.gz YTHUNLUEOXCVAT-UHFFFAOYSA-N -1 3 225.244 0.552 20 0 BCADHM O=C([O-])[C@@H]1Cc2ccccc2CN1CCO ZINC000061449289 385738228 /nfs/dbraw/zinc/73/82/28/385738228.db2.gz OSSFKZRKYHNPTE-NSHDSACASA-N -1 3 221.256 0.490 20 0 BCADHM CC[C@@H](CO)Nc1nc2nncc-2c(O)[n-]1 ZINC000309671815 385786194 /nfs/dbraw/zinc/78/61/94/385786194.db2.gz WIOQQLBKFZWLKS-YFKPBYRVSA-N -1 3 223.236 0.241 20 0 BCADHM CC1(C)CCCN(CCNC(=O)C(=O)[O-])C1 ZINC000309614182 385742734 /nfs/dbraw/zinc/74/27/34/385742734.db2.gz NKDKZOYGPBYMOY-UHFFFAOYSA-N -1 3 228.292 0.309 20 0 BCADHM CN(C)Cc1cccc(C(=O)Nc2nnn[n-]2)c1 ZINC000355823703 385743093 /nfs/dbraw/zinc/74/30/93/385743093.db2.gz ZBJSSDMWSHRDKP-UHFFFAOYSA-N -1 3 246.274 0.514 20 0 BCADHM CN(C)Cc1cccc(C(=O)Nc2nn[n-]n2)c1 ZINC000355823703 385743099 /nfs/dbraw/zinc/74/30/99/385743099.db2.gz ZBJSSDMWSHRDKP-UHFFFAOYSA-N -1 3 246.274 0.514 20 0 BCADHM C[C@]1(C(=O)Nc2ncccc2[O-])CCC(=O)NC1 ZINC000282381998 385756989 /nfs/dbraw/zinc/75/69/89/385756989.db2.gz PJUUDDGETZQKEM-LBPRGKRZSA-N -1 3 249.270 0.642 20 0 BCADHM CC[C@H](O)CNc1nc2nncc-2c(O)[n-]1 ZINC000309644260 385767799 /nfs/dbraw/zinc/76/77/99/385767799.db2.gz LSZCLTDVJNZHQT-YFKPBYRVSA-N -1 3 223.236 0.241 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CCCC(=O)N1 ZINC000270634555 385724910 /nfs/dbraw/zinc/72/49/10/385724910.db2.gz WIQAWWCFSGWBMT-ZETCQYMHSA-N -1 3 235.243 0.394 20 0 BCADHM COC(=O)C1(NC(=O)c2cccc([O-])c2)CC1 ZINC000182958380 385725948 /nfs/dbraw/zinc/72/59/48/385725948.db2.gz WSGMGGOOBFKGQW-UHFFFAOYSA-N -1 3 235.239 0.828 20 0 BCADHM C[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc([O-])c1 ZINC000186842352 385804203 /nfs/dbraw/zinc/80/42/03/385804203.db2.gz SKUZJNVVLAGZFK-SECBINFHSA-N -1 3 248.282 0.695 20 0 BCADHM Cc1ccc([O-])c(CN(C)[C@@H]2CCN(C)C2=O)n1 ZINC000271213278 385805632 /nfs/dbraw/zinc/80/56/32/385805632.db2.gz VRBTVTLAFCLTEC-LLVKDONJSA-N -1 3 249.314 0.758 20 0 BCADHM Cn1cc2c(n1)CCC[C@H]2NC(=O)c1c[n-]nn1 ZINC000283161538 385812029 /nfs/dbraw/zinc/81/20/29/385812029.db2.gz KARGLQICLNSWJO-MRVPVSSYSA-N -1 3 246.274 0.346 20 0 BCADHM Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cnn[n-]1 ZINC000283161538 385812032 /nfs/dbraw/zinc/81/20/32/385812032.db2.gz KARGLQICLNSWJO-MRVPVSSYSA-N -1 3 246.274 0.346 20 0 BCADHM Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cn[n-]n1 ZINC000283161538 385812037 /nfs/dbraw/zinc/81/20/37/385812037.db2.gz KARGLQICLNSWJO-MRVPVSSYSA-N -1 3 246.274 0.346 20 0 BCADHM CO[N-]C(=O)C[C@H]1COc2ccccc2O1 ZINC000294388999 385844634 /nfs/dbraw/zinc/84/46/34/385844634.db2.gz JYYMRIQHKOBDOD-QMMMGPOBSA-N -1 3 223.228 0.894 20 0 BCADHM CN(Cc1nc(=O)[n-][nH]1)[C@H]1CCSC1 ZINC000271741436 385848528 /nfs/dbraw/zinc/84/85/28/385848528.db2.gz WMIOLAZWJUJVDX-LURJTMIESA-N -1 3 214.294 0.035 20 0 BCADHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2c[n-]nn2)C1(C)C ZINC000271814777 385852845 /nfs/dbraw/zinc/85/28/45/385852845.db2.gz FQTNVZHHHUXOEE-CNUIFLNQSA-N -1 3 238.291 0.594 20 0 BCADHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cnn[n-]2)C1(C)C ZINC000271814777 385852846 /nfs/dbraw/zinc/85/28/46/385852846.db2.gz FQTNVZHHHUXOEE-CNUIFLNQSA-N -1 3 238.291 0.594 20 0 BCADHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cn[n-]n2)C1(C)C ZINC000271814777 385852849 /nfs/dbraw/zinc/85/28/49/385852849.db2.gz FQTNVZHHHUXOEE-CNUIFLNQSA-N -1 3 238.291 0.594 20 0 BCADHM CCCC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282859020 385792668 /nfs/dbraw/zinc/79/26/68/385792668.db2.gz HGXRIPVIQCTOFQ-MRVPVSSYSA-N -1 3 238.291 0.604 20 0 BCADHM Cc1ccc(NC(=O)[C@H]2COC(=O)N2)c([O-])c1 ZINC000282902853 385795554 /nfs/dbraw/zinc/79/55/54/385795554.db2.gz HCGSYKQHJDJEQW-MRVPVSSYSA-N -1 3 236.227 0.748 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1ccncn1 ZINC000493094520 533147217 /nfs/dbraw/zinc/14/72/17/533147217.db2.gz RCVBNJYJYLGEPY-NSCUHMNNSA-N -1 3 223.232 0.184 20 0 BCADHM Cc1ccc([O-])c(CN[C@H]2C[C@@H](O)C2)n1 ZINC000294718803 385888174 /nfs/dbraw/zinc/88/81/74/385888174.db2.gz AVLFJXQMGZQWCQ-DTORHVGOSA-N -1 3 208.261 0.709 20 0 BCADHM O=C(Cc1cccs1)[N-]c1nnc2[nH]cnn12 ZINC000647737642 385893052 /nfs/dbraw/zinc/89/30/52/385893052.db2.gz RRCOZJYJIZAXAA-UHFFFAOYSA-N -1 3 248.271 0.695 20 0 BCADHM Cc1ccc([O-])c(CN2CCOC[C@@H](O)C2)n1 ZINC000294808917 385897755 /nfs/dbraw/zinc/89/77/55/385897755.db2.gz NPMYZTUXCLIIGO-JTQLQIEISA-N -1 3 238.287 0.289 20 0 BCADHM CN1CC(=O)N(Cc2ccc([O-])c(F)c2)C1=O ZINC000272050474 385871307 /nfs/dbraw/zinc/87/13/07/385871307.db2.gz BIJJKPJSGJXNOG-UHFFFAOYSA-N -1 3 238.218 0.925 20 0 BCADHM CC[C@H](OC)C(=O)[N-]c1nncn1C1CC1 ZINC000285953122 385981288 /nfs/dbraw/zinc/98/12/88/385981288.db2.gz VOSFMIAWNQVZJU-QMMMGPOBSA-N -1 3 224.264 0.977 20 0 BCADHM C[C@@H]1Cc2ncn(Cc3nc(=O)[n-][nH]3)c2C[C@H]1C ZINC000295185816 385988388 /nfs/dbraw/zinc/98/83/88/385988388.db2.gz QJJXWYHWZJPODA-HTQZYQBOSA-N -1 3 247.302 0.714 20 0 BCADHM Cc1ncc(CNC(=O)c2cccnc2)c(=O)[n-]1 ZINC000345087158 385991871 /nfs/dbraw/zinc/99/18/71/385991871.db2.gz AEYZAHIEZYDTHP-UHFFFAOYSA-N -1 3 244.254 0.816 20 0 BCADHM CCc1nc([N-]C(=O)c2ccon2)n[nH]1 ZINC000182293526 385941639 /nfs/dbraw/zinc/94/16/39/385941639.db2.gz ONBMTYJSBQKJGA-UHFFFAOYSA-N -1 3 207.193 0.607 20 0 BCADHM C[C@@H](CCO)NC(=O)c1c([O-])cccc1O ZINC000220254976 385959622 /nfs/dbraw/zinc/95/96/22/385959622.db2.gz XSWTTYCPMLBJKY-ZETCQYMHSA-N -1 3 225.244 0.599 20 0 BCADHM Cc1ncc(CNC(=O)c2cccn2C)c(=O)[n-]1 ZINC000345115430 385999010 /nfs/dbraw/zinc/99/90/10/385999010.db2.gz VCVVHTQGHHKNIA-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CCOCCC(=O)NCc1cnc(C)[n-]c1=O ZINC000345134380 386004932 /nfs/dbraw/zinc/00/49/32/386004932.db2.gz UJIZAPQHRIKMJA-UHFFFAOYSA-N -1 3 239.275 0.533 20 0 BCADHM O=S(=O)([N-]CC(F)(F)CO)c1ccoc1 ZINC000286231734 386012518 /nfs/dbraw/zinc/01/25/18/386012518.db2.gz BWYAXJARWVHGBS-UHFFFAOYSA-N -1 3 241.215 0.186 20 0 BCADHM CC(C)(CCCO)CNC(=O)c1c[n-]nn1 ZINC000221755059 386018791 /nfs/dbraw/zinc/01/87/91/386018791.db2.gz KAUAJKMPXHOABI-UHFFFAOYSA-N -1 3 226.280 0.333 20 0 BCADHM CC(C)(CCCO)CNC(=O)c1cnn[n-]1 ZINC000221755059 386018797 /nfs/dbraw/zinc/01/87/97/386018797.db2.gz KAUAJKMPXHOABI-UHFFFAOYSA-N -1 3 226.280 0.333 20 0 BCADHM CC(C)(CCCO)CNC(=O)c1cn[n-]n1 ZINC000221755059 386018799 /nfs/dbraw/zinc/01/87/99/386018799.db2.gz KAUAJKMPXHOABI-UHFFFAOYSA-N -1 3 226.280 0.333 20 0 BCADHM CCCN1CC(=O)N[C@@H]1c1nc(C)ccc1[O-] ZINC000414191761 386029891 /nfs/dbraw/zinc/02/98/91/386029891.db2.gz VAUIAXGGWNIJRX-LBPRGKRZSA-N -1 3 235.287 0.936 20 0 BCADHM Cn1[n-]c(CN2CCC(C)(C)CC2)nc1=O ZINC000334432617 386052462 /nfs/dbraw/zinc/05/24/62/386052462.db2.gz WZLIMPMTQMQUGK-UHFFFAOYSA-N -1 3 224.308 0.730 20 0 BCADHM Cc1cc(CS(=O)(=O)[N-][C@@H]2CCOC2)on1 ZINC000345315821 386103775 /nfs/dbraw/zinc/10/37/75/386103775.db2.gz XBQXIDLIVUHJEC-MRVPVSSYSA-N -1 3 246.288 0.191 20 0 BCADHM C[C@@H]1C[C@@H](C)N(Cc2nc(=O)n(C)[n-]2)C1 ZINC000334435374 386058712 /nfs/dbraw/zinc/05/87/12/386058712.db2.gz ZFXHBCFKWZTQRB-HTQZYQBOSA-N -1 3 210.281 0.339 20 0 BCADHM CCS(=O)(=O)[N-]c1nc2cccnc2n1C ZINC000274784946 386150575 /nfs/dbraw/zinc/15/05/75/386150575.db2.gz ZAQNIHXWDGWKEC-UHFFFAOYSA-N -1 3 240.288 0.730 20 0 BCADHM CCO[C@H]1C[C@@H]1C(=O)Nc1nnc(SC)[n-]1 ZINC000263890819 386188074 /nfs/dbraw/zinc/18/80/74/386188074.db2.gz ZPZUFDWTQJYSEO-WDSKDSINSA-N -1 3 242.304 0.890 20 0 BCADHM CCO[C@H]1C[C@@H]1C(=O)Nc1nc(SC)n[n-]1 ZINC000263890819 386188078 /nfs/dbraw/zinc/18/80/78/386188078.db2.gz ZPZUFDWTQJYSEO-WDSKDSINSA-N -1 3 242.304 0.890 20 0 BCADHM CCO[C@H]1C[C@@H]1C(=O)Nc1n[n-]c(SC)n1 ZINC000263890819 386188083 /nfs/dbraw/zinc/18/80/83/386188083.db2.gz ZPZUFDWTQJYSEO-WDSKDSINSA-N -1 3 242.304 0.890 20 0 BCADHM COC(=O)c1ccc(CN(C)CC(=O)[O-])cc1 ZINC000076561738 386126425 /nfs/dbraw/zinc/12/64/25/386126425.db2.gz ZCZWKJDRFJIUIQ-UHFFFAOYSA-N -1 3 237.255 0.990 20 0 BCADHM Cc1ccc([O-])c([C@H]2NC(=O)CN2C)n1 ZINC000264117330 386209376 /nfs/dbraw/zinc/20/93/76/386209376.db2.gz LKGACGYHRKRQAM-JTQLQIEISA-N -1 3 207.233 0.156 20 0 BCADHM COC[C@@H](C[N-]S(=O)(=O)c1ccco1)OC ZINC000275465969 386213167 /nfs/dbraw/zinc/21/31/67/386213167.db2.gz KXZAIJRPYBZJFX-MRVPVSSYSA-N -1 3 249.288 0.219 20 0 BCADHM COC[C@H](C[N-]S(=O)(=O)c1ccco1)OC ZINC000275465971 386214086 /nfs/dbraw/zinc/21/40/86/386214086.db2.gz KXZAIJRPYBZJFX-QMMMGPOBSA-N -1 3 249.288 0.219 20 0 BCADHM C[C@H](CO)CCC[N-]S(=O)(=O)c1ccco1 ZINC000275533805 386219033 /nfs/dbraw/zinc/21/90/33/386219033.db2.gz XVABPWZGRHKLGA-VIFPVBQESA-N -1 3 247.316 0.967 20 0 BCADHM COC[C@@H](CCO)NC(=O)c1ccccc1[O-] ZINC000225916542 386228561 /nfs/dbraw/zinc/22/85/61/386228561.db2.gz WODHFTGERPDIRD-SECBINFHSA-N -1 3 239.271 0.519 20 0 BCADHM Cc1noc(-c2cc(=O)[n-]c(N(C)C)n2)n1 ZINC000339092745 386244621 /nfs/dbraw/zinc/24/46/21/386244621.db2.gz BUDDOWXCWSAPQF-UHFFFAOYSA-N -1 3 221.220 0.607 20 0 BCADHM COC(=O)COCC(=O)Nc1ccccc1[O-] ZINC000289016599 386251770 /nfs/dbraw/zinc/25/17/70/386251770.db2.gz HUPGJYBJNCKUTJ-UHFFFAOYSA-N -1 3 239.227 0.520 20 0 BCADHM C[C@H]([N-]C(=O)C(C)(F)F)C(=O)NCCF ZINC000289051427 386253670 /nfs/dbraw/zinc/25/36/70/386253670.db2.gz AIIYBFBUWMHFJA-YFKPBYRVSA-N -1 3 226.198 0.232 20 0 BCADHM CCC[C@H](C)N(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000264612833 386255352 /nfs/dbraw/zinc/25/53/52/386255352.db2.gz AADMQHFQMHIYFC-QMMMGPOBSA-N -1 3 241.291 0.185 20 0 BCADHM Cn1cnnc1[N-]C(=O)COC1CCCC1 ZINC000275230855 386194580 /nfs/dbraw/zinc/19/45/80/386194580.db2.gz TZTLFUHDEPUUJE-UHFFFAOYSA-N -1 3 224.264 0.713 20 0 BCADHM C=Cn1cc(CNC2(C(=O)[O-])CC2)cn1 ZINC000417526304 386282057 /nfs/dbraw/zinc/28/20/57/386282057.db2.gz BVRAPPQSUZLUJZ-UHFFFAOYSA-N -1 3 207.233 0.690 20 0 BCADHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000416524969 386324553 /nfs/dbraw/zinc/32/45/53/386324553.db2.gz HLFUAQDDPPXDRJ-OCAPTIKFSA-N -1 3 245.304 0.256 20 0 BCADHM O=S(=O)([N-]Cc1ccco1)C1COC1 ZINC000276402807 386316945 /nfs/dbraw/zinc/31/69/45/386316945.db2.gz ZNMSWEHGQNSVOZ-UHFFFAOYSA-N -1 3 217.246 0.098 20 0 BCADHM C[C@@]1([N-]S(=O)(=O)c2ccoc2)CCOC1=O ZINC000289503777 386319441 /nfs/dbraw/zinc/31/94/41/386319441.db2.gz KEACKBWBFZKRBQ-SECBINFHSA-N -1 3 245.256 0.264 20 0 BCADHM Cn1cc(C(=O)N[C@H]2CC=CCC2)c(=O)[n-]c1=O ZINC000265469488 386341940 /nfs/dbraw/zinc/34/19/40/386341940.db2.gz WXECSVYZLRUFPX-QMMMGPOBSA-N -1 3 249.270 0.324 20 0 BCADHM COCC[C@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000416591164 386342422 /nfs/dbraw/zinc/34/24/22/386342422.db2.gz TXFOMLRVTOTYIX-QMMMGPOBSA-N -1 3 247.320 0.361 20 0 BCADHM CCC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000347387360 386376190 /nfs/dbraw/zinc/37/61/90/386376190.db2.gz BNKWTXLXJBUMFU-QMMMGPOBSA-N -1 3 212.297 0.729 20 0 BCADHM Cn1nnnc1C[N-]C(=O)C(C)(Cl)Cl ZINC000276488137 386333341 /nfs/dbraw/zinc/33/33/41/386333341.db2.gz GBHOSYXTPBCVGY-UHFFFAOYSA-N -1 3 238.078 0.020 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3ccco3)C[C@@H]12 ZINC000334490179 386335371 /nfs/dbraw/zinc/33/53/71/386335371.db2.gz FNDCOANJQVIKLW-VIFPVBQESA-N -1 3 235.243 0.016 20 0 BCADHM C[C@@H](NCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000347530231 386440601 /nfs/dbraw/zinc/44/06/01/386440601.db2.gz HKWVURUMZQLWEJ-SECBINFHSA-N -1 3 232.287 0.959 20 0 BCADHM Cc1ccc(C(=O)NCCC(N)=O)c([O-])c1C ZINC000266550296 386449490 /nfs/dbraw/zinc/44/94/90/386449490.db2.gz MIYXSMMWSXAOJW-UHFFFAOYSA-N -1 3 236.271 0.614 20 0 BCADHM Cc1cc(C(=O)N[C@H]2CCN(C)C2=O)ccc1[O-] ZINC000227032528 386450744 /nfs/dbraw/zinc/45/07/44/386450744.db2.gz PRGKFYCWPJCXCQ-JTQLQIEISA-N -1 3 248.282 0.661 20 0 BCADHM Cn1cc(CNC2(C(=O)[O-])CCCC2)nn1 ZINC000417568383 386394454 /nfs/dbraw/zinc/39/44/54/386394454.db2.gz BJSNZHMBASDPJP-UHFFFAOYSA-N -1 3 224.264 0.302 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1CC12CC2 ZINC000643337626 386395736 /nfs/dbraw/zinc/39/57/36/386395736.db2.gz HCXNRCBAMPLCFR-ZCFIWIBFSA-N -1 3 235.243 0.935 20 0 BCADHM Cc1cnn(C)c1CNC1(C(=O)[O-])CCC1 ZINC000417569115 386397648 /nfs/dbraw/zinc/39/76/48/386397648.db2.gz PUBBXPJYKDKJQD-UHFFFAOYSA-N -1 3 223.276 0.825 20 0 BCADHM O=C([O-])[C@@]1(NCc2cncnc2)CCSC1 ZINC000417581661 386410827 /nfs/dbraw/zinc/41/08/27/386410827.db2.gz UCWXUALGSLHEDR-SNVBAGLBSA-N -1 3 239.300 0.527 20 0 BCADHM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](N)C1CCC1 ZINC000399137449 386423419 /nfs/dbraw/zinc/42/34/19/386423419.db2.gz RTKJITPXKYNDLT-LDYMZIIASA-N -1 3 242.319 0.826 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CCCC(C)=O ZINC000290781732 386474681 /nfs/dbraw/zinc/47/46/81/386474681.db2.gz WTOIZVRKBQAEHO-UHFFFAOYSA-N -1 3 245.275 0.747 20 0 BCADHM CC1(C)CN(C(=O)c2ncccc2[O-])CCN1 ZINC000129671972 386481007 /nfs/dbraw/zinc/48/10/07/386481007.db2.gz DXVGEERKRGPSEN-UHFFFAOYSA-N -1 3 235.287 0.611 20 0 BCADHM C[C@@H]1CN(c2nc3nncc-3c(O)[n-]2)C[C@H]1CO ZINC000519576176 386497317 /nfs/dbraw/zinc/49/73/17/386497317.db2.gz PCIAPGXEDIGSJU-RQJHMYQMSA-N -1 3 249.274 0.123 20 0 BCADHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@H](C)O)c1 ZINC000123094845 386529527 /nfs/dbraw/zinc/52/95/27/386529527.db2.gz RATCPBDSVCBGFG-QMMMGPOBSA-N -1 3 247.320 0.123 20 0 BCADHM CC1(C)CC[C@@H](CNC(=O)c2c[n-]nn2)O1 ZINC000187345446 386524338 /nfs/dbraw/zinc/52/43/38/386524338.db2.gz NAVBUFZUDDIOEQ-ZETCQYMHSA-N -1 3 224.264 0.492 20 0 BCADHM CC1(C)CC[C@@H](CNC(=O)c2cnn[n-]2)O1 ZINC000187345446 386524341 /nfs/dbraw/zinc/52/43/41/386524341.db2.gz NAVBUFZUDDIOEQ-ZETCQYMHSA-N -1 3 224.264 0.492 20 0 BCADHM CC1(C)CC[C@@H](CNC(=O)c2cn[n-]n2)O1 ZINC000187345446 386524346 /nfs/dbraw/zinc/52/43/46/386524346.db2.gz NAVBUFZUDDIOEQ-ZETCQYMHSA-N -1 3 224.264 0.492 20 0 BCADHM Cc1cc(C(=O)NCc2ncn(C)n2)ccc1[O-] ZINC000227052340 386454847 /nfs/dbraw/zinc/45/48/47/386454847.db2.gz ZDCCKXGMZOAFSJ-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CSc1nnc(NC(=O)c2cnn(C)c2)[n-]1 ZINC000299474840 386455743 /nfs/dbraw/zinc/45/57/43/386455743.db2.gz BDMJQLOOTARCRH-UHFFFAOYSA-N -1 3 238.276 0.512 20 0 BCADHM CSc1n[n-]c(NC(=O)c2cnn(C)c2)n1 ZINC000299474840 386455749 /nfs/dbraw/zinc/45/57/49/386455749.db2.gz BDMJQLOOTARCRH-UHFFFAOYSA-N -1 3 238.276 0.512 20 0 BCADHM CSc1nc(NC(=O)c2cnn(C)c2)n[n-]1 ZINC000299474840 386455760 /nfs/dbraw/zinc/45/57/60/386455760.db2.gz BDMJQLOOTARCRH-UHFFFAOYSA-N -1 3 238.276 0.512 20 0 BCADHM O=C(CO)[N-]c1nncn1-c1ccccc1 ZINC000339516356 386460332 /nfs/dbraw/zinc/46/03/32/386460332.db2.gz UJNUHJNLEPFBMP-UHFFFAOYSA-N -1 3 218.216 0.198 20 0 BCADHM CC[S@@](=O)CC(=O)Nc1ncccc1[O-] ZINC000278729209 386574706 /nfs/dbraw/zinc/57/47/06/386574706.db2.gz UBYDCWIGHQNQLP-OAHLLOKOSA-N -1 3 228.273 0.494 20 0 BCADHM C[C@@H](O)C(C)(C)NC(=O)c1cccc2nn[n-]c21 ZINC000525870537 386598664 /nfs/dbraw/zinc/59/86/64/386598664.db2.gz FFODNJCCYKECPN-SSDOTTSWSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@@H](O)C(C)(C)NC(=O)c1cccc2[n-]nnc21 ZINC000525870537 386598669 /nfs/dbraw/zinc/59/86/69/386598669.db2.gz FFODNJCCYKECPN-SSDOTTSWSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@@H](O)C(C)(C)NC(=O)c1cccc2n[n-]nc21 ZINC000525870537 386598673 /nfs/dbraw/zinc/59/86/73/386598673.db2.gz FFODNJCCYKECPN-SSDOTTSWSA-N -1 3 248.286 0.847 20 0 BCADHM Cc1cnc(C[N-]S(=O)(=O)CC2CC2)o1 ZINC000267358688 386532506 /nfs/dbraw/zinc/53/25/06/386532506.db2.gz BWZKBVWLOVQOMA-UHFFFAOYSA-N -1 3 230.289 0.812 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000519717430 386536303 /nfs/dbraw/zinc/53/63/03/386536303.db2.gz UWHQWOSMHCWHMW-DIYOJNKTSA-N -1 3 241.316 0.497 20 0 BCADHM C[C@@H](O)CCC[N-]S(=O)(=O)c1ccco1 ZINC000278867744 386596795 /nfs/dbraw/zinc/59/67/95/386596795.db2.gz YIIMCRWAPUVDEZ-MRVPVSSYSA-N -1 3 233.289 0.719 20 0 BCADHM CN(CCN1CCCC1)C(=O)c1ncccc1[O-] ZINC000063053966 386543841 /nfs/dbraw/zinc/54/38/41/386543841.db2.gz JPEBFVHFKOETBC-UHFFFAOYSA-N -1 3 249.314 0.955 20 0 BCADHM CCc1cc(=O)[n-]c(CN(CC)CCO)n1 ZINC000268255967 386632125 /nfs/dbraw/zinc/63/21/25/386632125.db2.gz VWYSGHZFRUNRDB-UHFFFAOYSA-N -1 3 225.292 0.559 20 0 BCADHM O=C1[N-]C(=O)N2CCN(Cc3cccnc3)C[C@H]12 ZINC000328903019 386638422 /nfs/dbraw/zinc/63/84/22/386638422.db2.gz HIKBQYUNDWZXQS-SNVBAGLBSA-N -1 3 246.270 0.658 20 0 BCADHM COC(=O)[C@H]([N-]C(=O)C(F)F)C1CC1 ZINC000279184579 386646593 /nfs/dbraw/zinc/64/65/93/386646593.db2.gz MFNLIHLFEQWNOM-RXMQYKEDSA-N -1 3 207.176 0.319 20 0 BCADHM COC(=O)[C@@H]([N-]C(=O)C(F)F)C1CC1 ZINC000279184581 386647496 /nfs/dbraw/zinc/64/74/96/386647496.db2.gz MFNLIHLFEQWNOM-YFKPBYRVSA-N -1 3 207.176 0.319 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]2O)c1 ZINC000335519625 386656282 /nfs/dbraw/zinc/65/62/82/386656282.db2.gz MFZMYYVOIBNTKS-MWLCHTKSSA-N -1 3 221.256 0.954 20 0 BCADHM CN(c1nc2[nH][n-]cc-2c(=N)n1)[C@H]1CCC[C@@H]1O ZINC000343246259 386600154 /nfs/dbraw/zinc/60/01/54/386600154.db2.gz DQRJNFYAKHDXPB-YUMQZZPRSA-N -1 3 248.290 0.067 20 0 BCADHM CN(c1nc2[nH][n-]cc-2c(=N)n1)[C@@H]1CCC[C@H]1O ZINC000343246255 386600550 /nfs/dbraw/zinc/60/05/50/386600550.db2.gz DQRJNFYAKHDXPB-HTQZYQBOSA-N -1 3 248.290 0.067 20 0 BCADHM C[C@H]1C(=O)N(C)CCN1C(=O)c1ccccc1[O-] ZINC000188469239 386668203 /nfs/dbraw/zinc/66/82/03/386668203.db2.gz KLQHHWJWPYGIRD-VIFPVBQESA-N -1 3 248.282 0.695 20 0 BCADHM CCC[C@H](O)CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268624265 386670025 /nfs/dbraw/zinc/67/00/25/386670025.db2.gz VUZSBHXJRFRWFP-QMMMGPOBSA-N -1 3 239.275 0.381 20 0 BCADHM Cc1cc(C(=O)NCC(F)(F)F)[n-]c(=O)n1 ZINC000268668833 386678838 /nfs/dbraw/zinc/67/88/38/386678838.db2.gz RQFIALJNELPDPW-UHFFFAOYSA-N -1 3 235.165 0.783 20 0 BCADHM CNC(=O)[C@@H]1CCCCN1Cc1ncccc1[O-] ZINC000520459102 386681209 /nfs/dbraw/zinc/68/12/09/386681209.db2.gz PCGSSZFLFXRYIR-NSHDSACASA-N -1 3 249.314 0.888 20 0 BCADHM CC(C)(O)CON=C([O-])Nc1ccccn1 ZINC000279484942 386688476 /nfs/dbraw/zinc/68/84/76/386688476.db2.gz XNSRWGUUOZOXFU-UHFFFAOYSA-N -1 3 225.248 0.906 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Nc1ccccn1 ZINC000279484942 386688488 /nfs/dbraw/zinc/68/84/88/386688488.db2.gz XNSRWGUUOZOXFU-UHFFFAOYSA-N -1 3 225.248 0.906 20 0 BCADHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335469595 386689746 /nfs/dbraw/zinc/68/97/46/386689746.db2.gz IWEGMPCLPGOYJN-BDAKNGLRSA-N -1 3 243.332 0.887 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]C2(CF)CCC2)c1 ZINC000335484217 386712418 /nfs/dbraw/zinc/71/24/18/386712418.db2.gz FMPRLTVVOUZFDR-UHFFFAOYSA-N -1 3 247.295 0.591 20 0 BCADHM Cc1ccoc1C[N-]S(=O)(=O)C1COC1 ZINC000292727208 386713258 /nfs/dbraw/zinc/71/32/58/386713258.db2.gz SGBIKQKHEZUCDE-UHFFFAOYSA-N -1 3 231.273 0.406 20 0 BCADHM CSCSc1nnc2[n-]c(=O)c(C)nn21 ZINC000292758278 386720543 /nfs/dbraw/zinc/72/05/43/386720543.db2.gz WIPNFGSAPIBZPZ-UHFFFAOYSA-N -1 3 243.317 0.946 20 0 BCADHM COC(=O)[C@@H](CF)NC(=O)c1cccc([O-])c1 ZINC000292774228 386723077 /nfs/dbraw/zinc/72/30/77/386723077.db2.gz XQQYBBFUALAWCP-SECBINFHSA-N -1 3 241.218 0.633 20 0 BCADHM Cn1nncc1C[S@@](=O)c1cccc([O-])c1 ZINC000357143833 386726712 /nfs/dbraw/zinc/72/67/12/386726712.db2.gz DUHXAXUHCVSJNB-MRXNPFEDSA-N -1 3 237.284 0.829 20 0 BCADHM CC(C)c1ncc(NC(=O)c2nc[n-]n2)cn1 ZINC000280028444 386769444 /nfs/dbraw/zinc/76/94/44/386769444.db2.gz VJUKGQNTVIQMJL-UHFFFAOYSA-N -1 3 232.247 0.970 20 0 BCADHM COC(=O)[C@]1([N-]C(=O)C(F)F)CCSC1 ZINC000279963101 386758821 /nfs/dbraw/zinc/75/88/21/386758821.db2.gz SZDIBIQYBLHNKW-QMMMGPOBSA-N -1 3 239.243 0.416 20 0 BCADHM CCCNC(=O)[C@@H](C)Sc1n[n-]c(CO)n1 ZINC000527059272 386765719 /nfs/dbraw/zinc/76/57/19/386765719.db2.gz FEIZDOCLIDXMSA-ZCFIWIBFSA-N -1 3 244.320 0.304 20 0 BCADHM CSCCO[N-]C(=O)/C=C/c1cnccn1 ZINC000279999018 386766011 /nfs/dbraw/zinc/76/60/11/386766011.db2.gz MGRWTFUQNGAETO-NSCUHMNNSA-N -1 3 239.300 0.901 20 0 BCADHM CCCNC(=O)[C@H](C)Sc1n[n-]c(CO)n1 ZINC000527059271 386766750 /nfs/dbraw/zinc/76/67/50/386766750.db2.gz FEIZDOCLIDXMSA-LURJTMIESA-N -1 3 244.320 0.304 20 0 BCADHM c1[n-][nH]c2ncnc(=NCCc3cnccn3)c1-2 ZINC000340757942 386767044 /nfs/dbraw/zinc/76/70/44/386767044.db2.gz GAULLVGRIVXOQR-UHFFFAOYSA-N -1 3 241.258 0.171 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)c1ccon1 ZINC000340846714 386774851 /nfs/dbraw/zinc/77/48/51/386774851.db2.gz KQGRFBGFJHVTSO-ZCFIWIBFSA-N -1 3 242.260 0.437 20 0 BCADHM C[C@H](O)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000192498729 386778835 /nfs/dbraw/zinc/77/88/35/386778835.db2.gz QKDZKAGLFWZTLZ-ZETCQYMHSA-N -1 3 242.250 0.711 20 0 BCADHM CC[C@@H](N=c1ncnc2[nH][n-]cc1-2)[C@@H](O)CC ZINC000450866749 386786248 /nfs/dbraw/zinc/78/62/48/386786248.db2.gz XRZCZRMKCRVYSO-BDAKNGLRSA-N -1 3 235.291 0.688 20 0 BCADHM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000340859001 386788493 /nfs/dbraw/zinc/78/84/93/386788493.db2.gz ZYMIJHMTXNWQRD-RKDXNWHRSA-N -1 3 244.316 0.519 20 0 BCADHM Cc1cc(C(=O)[N-]c2nc(N(C)C)n[nH]2)on1 ZINC000340961904 386818479 /nfs/dbraw/zinc/81/84/79/386818479.db2.gz LJCIYJZIXKSCRY-UHFFFAOYSA-N -1 3 236.235 0.419 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)N1CCC12CCC2 ZINC000329816423 386804794 /nfs/dbraw/zinc/80/47/94/386804794.db2.gz VXKPPHCUHXGYML-UHFFFAOYSA-N -1 3 237.259 0.534 20 0 BCADHM O=c1[n-]c(CN[C@H]2CCC[C@@H]2CCO)n[nH]1 ZINC000336672857 386824427 /nfs/dbraw/zinc/82/44/27/386824427.db2.gz JHQVGXFHNAUBLK-SFYZADRCSA-N -1 3 226.280 0.151 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)N1CCCCCO1 ZINC000329954928 386816016 /nfs/dbraw/zinc/81/60/16/386816016.db2.gz KJCWHYXKXIEFPU-UHFFFAOYSA-N -1 3 241.247 0.323 20 0 BCADHM C[C@H]([N-]S(=O)(=O)C1COC1)c1ccon1 ZINC000330204264 386836364 /nfs/dbraw/zinc/83/63/64/386836364.db2.gz COKTXVFGAMUVFC-LURJTMIESA-N -1 3 232.261 0.054 20 0 BCADHM O=S(=O)([N-]Cc1nccs1)[C@H]1CCOC1 ZINC000357731752 386836757 /nfs/dbraw/zinc/83/67/57/386836757.db2.gz BIZMODHDVBAZET-ZETCQYMHSA-N -1 3 248.329 0.351 20 0 BCADHM CC/C=C\CCN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000341305494 386891732 /nfs/dbraw/zinc/89/17/32/386891732.db2.gz VIWMMQYSEPTDLQ-XOULXFPDSA-N -1 3 237.303 0.579 20 0 BCADHM CC[C@H](O)CNC(=O)c1ccc([O-])c(OC)c1 ZINC000293674310 386858208 /nfs/dbraw/zinc/85/82/08/386858208.db2.gz KRMVPVVJJHJITI-VIFPVBQESA-N -1 3 239.271 0.902 20 0 BCADHM O=S(=O)(CC1CC1)[N-]Cc1ccno1 ZINC000331584783 386871890 /nfs/dbraw/zinc/87/18/90/386871890.db2.gz AOPFMAXRDPTWAR-UHFFFAOYSA-N -1 3 216.262 0.504 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCC[C@](O)(C(F)(F)F)C1 ZINC000336739442 386881715 /nfs/dbraw/zinc/88/17/15/386881715.db2.gz LGUMANYDVDOGGG-POYBYMJQSA-N -1 3 241.209 0.849 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CC2)o1 ZINC000331700247 386884531 /nfs/dbraw/zinc/88/45/31/386884531.db2.gz VYUCSWBZALLZOF-SECBINFHSA-N -1 3 245.300 0.637 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)CC(C)(C)OC ZINC000349555708 386886138 /nfs/dbraw/zinc/88/61/38/386886138.db2.gz NNFYQEHIGXNXLU-UHFFFAOYSA-N -1 3 237.321 0.310 20 0 BCADHM CCOCCS(=O)(=O)[N-]Cc1ccno1 ZINC000330734846 386886877 /nfs/dbraw/zinc/88/68/77/386886877.db2.gz MMMHEOSCGRRTPU-UHFFFAOYSA-N -1 3 234.277 0.131 20 0 BCADHM O=S(=O)([N-]CCCCO)c1ccccn1 ZINC000341515137 386914842 /nfs/dbraw/zinc/91/48/42/386914842.db2.gz TZEKKUJVJZBFCL-UHFFFAOYSA-N -1 3 230.289 0.132 20 0 BCADHM CO[C@@]1(C)C[C@H](NCc2n[nH]c(=O)[n-]2)C1(C)C ZINC000331778656 386901241 /nfs/dbraw/zinc/90/12/41/386901241.db2.gz NGMBYEGDNQKARD-CPCISQLKSA-N -1 3 240.307 0.804 20 0 BCADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1c[n-]nn1 ZINC000341601359 386931889 /nfs/dbraw/zinc/93/18/89/386931889.db2.gz MDFNFXHARSSCJH-APPZFPTMSA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC000341601359 386931893 /nfs/dbraw/zinc/93/18/93/386931893.db2.gz MDFNFXHARSSCJH-APPZFPTMSA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@H]1CCC[C@@H]1CNC(=O)c1cn[n-]n1 ZINC000341601359 386931897 /nfs/dbraw/zinc/93/18/97/386931897.db2.gz MDFNFXHARSSCJH-APPZFPTMSA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@@H]1CCC[C@@H]1CNC(=O)c1c[n-]nn1 ZINC000341601366 386932134 /nfs/dbraw/zinc/93/21/34/386932134.db2.gz MDFNFXHARSSCJH-VXNVDRBHSA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@@H]1CCC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC000341601366 386932139 /nfs/dbraw/zinc/93/21/39/386932139.db2.gz MDFNFXHARSSCJH-VXNVDRBHSA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@@H]1CCC[C@@H]1CNC(=O)c1cn[n-]n1 ZINC000341601366 386932141 /nfs/dbraw/zinc/93/21/41/386932141.db2.gz MDFNFXHARSSCJH-VXNVDRBHSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@@H]1C[C@H]1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000331970621 386932731 /nfs/dbraw/zinc/93/27/31/386932731.db2.gz NEBNRNQTBIUFBC-RNFRBKRXSA-N -1 3 236.275 0.386 20 0 BCADHM Cn1ncc2c1ncc(C(=O)NC1CCC1)c2[O-] ZINC000358331884 386935200 /nfs/dbraw/zinc/93/52/00/386935200.db2.gz MSXGJKVYSBWGSQ-UHFFFAOYSA-N -1 3 246.270 0.956 20 0 BCADHM CCOCC[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000331011074 386944479 /nfs/dbraw/zinc/94/44/79/386944479.db2.gz DWLQQWZCAMWHEU-UHFFFAOYSA-N -1 3 247.320 0.218 20 0 BCADHM NC(=O)C1(NCc2cc([O-])cc(F)c2)CC1 ZINC000191480824 386953369 /nfs/dbraw/zinc/95/33/69/386953369.db2.gz YEIRMMJMLKBPNO-UHFFFAOYSA-N -1 3 224.235 0.639 20 0 BCADHM COC(=O)CC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358474225 386960091 /nfs/dbraw/zinc/96/00/91/386960091.db2.gz XNRDMTUOKGGQLE-UHFFFAOYSA-N -1 3 247.272 0.429 20 0 BCADHM Cc1ccc([O-])c(CN2CCCNC(=O)[C@@H]2C)n1 ZINC000332240877 386968641 /nfs/dbraw/zinc/96/86/41/386968641.db2.gz AFTHCSXZYANMPK-JTQLQIEISA-N -1 3 249.314 0.806 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@](C)(O)C2)o1 ZINC000334901314 386975072 /nfs/dbraw/zinc/97/50/72/386975072.db2.gz HAHYPYYYXZCCIY-WAAGHKOSSA-N -1 3 245.300 0.780 20 0 BCADHM CC[C@]1(CO)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000332737978 387006327 /nfs/dbraw/zinc/00/63/27/387006327.db2.gz XIQMYHUZIOTGBN-SNVBAGLBSA-N -1 3 226.280 0.247 20 0 BCADHM Cn1cc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c(=O)[n-]c1=O ZINC000333496216 387039394 /nfs/dbraw/zinc/03/93/94/387039394.db2.gz RODRASGOWFLPKP-RNLVFQAGSA-N -1 3 249.270 0.014 20 0 BCADHM Cc1noc([N-]C(=O)C(=O)c2cnn(C)c2)c1C ZINC000359379697 387094135 /nfs/dbraw/zinc/09/41/35/387094135.db2.gz PHQWSQSYSDMMMT-UHFFFAOYSA-N -1 3 248.242 0.846 20 0 BCADHM Cc1ccc([O-])c(CN2C[C@H](O)C[C@@H]2CO)n1 ZINC000370398717 387113591 /nfs/dbraw/zinc/11/35/91/387113591.db2.gz IMPZMIQXXPRMDX-NXEZZACHSA-N -1 3 238.287 0.023 20 0 BCADHM Cc1ccc([O-])c(CN2C[C@@H](O)C[C@@H]2CO)n1 ZINC000370398718 387114592 /nfs/dbraw/zinc/11/45/92/387114592.db2.gz IMPZMIQXXPRMDX-ZJUUUORDSA-N -1 3 238.287 0.023 20 0 BCADHM Cc1nnc(N(C)C[C@H](C)c2nnn[n-]2)nc1C ZINC000359739163 387156064 /nfs/dbraw/zinc/15/60/64/387156064.db2.gz KJZVBBGTIBONEC-LURJTMIESA-N -1 3 248.294 0.241 20 0 BCADHM Cc1nnc(N(C)C[C@H](C)c2nn[n-]n2)nc1C ZINC000359739163 387156072 /nfs/dbraw/zinc/15/60/72/387156072.db2.gz KJZVBBGTIBONEC-LURJTMIESA-N -1 3 248.294 0.241 20 0 BCADHM Cn1[n-]c(CN2CC[C@H]3CCC[C@H]32)nc1=O ZINC000336353031 387182504 /nfs/dbraw/zinc/18/25/04/387182504.db2.gz FVRWPWPSCIBRQI-RKDXNWHRSA-N -1 3 222.292 0.483 20 0 BCADHM CC[C@@H](C(=O)Nc1ncccc1[O-])C(=O)OC ZINC000359899847 387186724 /nfs/dbraw/zinc/18/67/24/387186724.db2.gz MLWAZQIPBVELPH-ZETCQYMHSA-N -1 3 238.243 0.925 20 0 BCADHM CC(C)N(CC(=O)NCC(=O)[O-])CC1CC1 ZINC000543753509 387138538 /nfs/dbraw/zinc/13/85/38/387138538.db2.gz AJSUJKKNVZQFHS-UHFFFAOYSA-N -1 3 228.292 0.308 20 0 BCADHM CSCC[C@H](C)N(C)Cc1nc(=O)n(C)[n-]1 ZINC000353477641 387209937 /nfs/dbraw/zinc/20/99/37/387209937.db2.gz KGVBNJUIXCTVON-QMMMGPOBSA-N -1 3 244.364 0.682 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ncnn1C ZINC000352458066 387222532 /nfs/dbraw/zinc/22/25/32/387222532.db2.gz ZMHDBPRMPZFMCP-LURJTMIESA-N -1 3 244.262 0.028 20 0 BCADHM C[C@@H]1OCC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000129922694 387228276 /nfs/dbraw/zinc/22/82/76/387228276.db2.gz KUXUZPXSWATAJH-IONNQARKSA-N -1 3 246.270 0.865 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCc2nccn2C1 ZINC000372607995 387314106 /nfs/dbraw/zinc/31/41/06/387314106.db2.gz QJFBQAIBALMPML-MRVPVSSYSA-N -1 3 209.249 0.513 20 0 BCADHM Cc1cc(C(=O)N(C)CCC(N)=O)ccc1[O-] ZINC000286239106 387319263 /nfs/dbraw/zinc/31/92/63/387319263.db2.gz OUUUJMAQYDTJHE-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM C[C@]1(C[N-]S(=O)(=O)c2ccco2)CCOC1 ZINC000336428834 387257236 /nfs/dbraw/zinc/25/72/36/387257236.db2.gz DCMNIBLXEWGRSI-SNVBAGLBSA-N -1 3 245.300 0.985 20 0 BCADHM CO[C@@H](C)CCC(=O)Nc1ccncc1[O-] ZINC000360594702 387317263 /nfs/dbraw/zinc/31/72/63/387317263.db2.gz JAFPLYDCTPIRIB-QMMMGPOBSA-N -1 3 224.260 0.963 20 0 BCADHM Cc1cnc(C(=O)NCc2ncccc2[O-])cn1 ZINC000352498566 387265777 /nfs/dbraw/zinc/26/57/77/387265777.db2.gz BPSKOJCVAMFKMZ-UHFFFAOYSA-N -1 3 244.254 0.816 20 0 BCADHM C[C@H](C(=O)NCc1ncccc1[O-])n1cccn1 ZINC000352510302 387268516 /nfs/dbraw/zinc/26/85/16/387268516.db2.gz SJRGITUUAVQVCR-SECBINFHSA-N -1 3 246.270 0.861 20 0 BCADHM Cc1cc(C(=O)NCc2ncccc2[O-])n(C)n1 ZINC000352507582 387268694 /nfs/dbraw/zinc/26/86/94/387268694.db2.gz KOPDUUJHBUWRIT-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM O=C(NCc1ncccc1[O-])C1CC(=O)C1 ZINC000352506024 387268876 /nfs/dbraw/zinc/26/88/76/387268876.db2.gz CNQRDSMUDCLVBD-UHFFFAOYSA-N -1 3 220.228 0.383 20 0 BCADHM Nc1nccnc1C(=O)NCc1ncccc1[O-] ZINC000352506560 387269086 /nfs/dbraw/zinc/26/90/86/387269086.db2.gz GZBOINNXMUALEU-UHFFFAOYSA-N -1 3 245.242 0.089 20 0 BCADHM COCc1nc(S[C@@H](C(N)=O)C(C)C)n[n-]1 ZINC000353815674 387278153 /nfs/dbraw/zinc/27/81/53/387278153.db2.gz NPTAQEBZIGPNKL-SSDOTTSWSA-N -1 3 244.320 0.553 20 0 BCADHM CCN(C)C(=O)CSc1n[n-]c(COC)n1 ZINC000353821115 387279794 /nfs/dbraw/zinc/27/97/94/387279794.db2.gz BEHWNFOFVATHJH-UHFFFAOYSA-N -1 3 244.320 0.522 20 0 BCADHM CO[C@H](C(=O)NCc1ncccc1[O-])C1CC1 ZINC000352514591 387284666 /nfs/dbraw/zinc/28/46/66/387284666.db2.gz BLQQUBIGUVCXII-NSHDSACASA-N -1 3 236.271 0.828 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1CC12CCOCC2 ZINC000372234658 387285446 /nfs/dbraw/zinc/28/54/46/387285446.db2.gz ZPEFYZGHAIHYQA-JTQLQIEISA-N -1 3 243.303 0.887 20 0 BCADHM CCC[C@](C)(O)C(=O)NCc1ncccc1[O-] ZINC000352518142 387285395 /nfs/dbraw/zinc/28/53/95/387285395.db2.gz VGNSYNNQBPLBOA-LBPRGKRZSA-N -1 3 238.287 0.955 20 0 BCADHM O=C(COCC1CC1)NCc1ncccc1[O-] ZINC000352516269 387285854 /nfs/dbraw/zinc/28/58/54/387285854.db2.gz KQRWLLSNBNZOIK-UHFFFAOYSA-N -1 3 236.271 0.830 20 0 BCADHM Cn1nccc1CC(=O)NCc1ncccc1[O-] ZINC000352517761 387286858 /nfs/dbraw/zinc/28/68/58/387286858.db2.gz RTNZFNBTGGISJK-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM CN(C(=O)c1cn(C)c(=O)[n-]c1=O)C(C)(C)C ZINC000648592193 387361074 /nfs/dbraw/zinc/36/10/74/387361074.db2.gz UPIFCGQXCYTQNH-UHFFFAOYSA-N -1 3 239.275 0.356 20 0 BCADHM CC[C@@H](Sc1n[n-]c(CO)n1)C(=O)OC ZINC000572353286 387340475 /nfs/dbraw/zinc/34/04/75/387340475.db2.gz HDBLMQAKJBBHRF-RXMQYKEDSA-N -1 3 231.277 0.341 20 0 BCADHM CSCCO[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC000373628578 387386255 /nfs/dbraw/zinc/38/62/55/387386255.db2.gz BIRCRWBRBIBTOD-SCZZXKLOSA-N -1 3 231.317 0.824 20 0 BCADHM CO[C@H](CN)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000423710530 387401048 /nfs/dbraw/zinc/40/10/48/387401048.db2.gz LDRPMFYYLKYYOF-SECBINFHSA-N -1 3 244.678 0.958 20 0 BCADHM CO[C@H](CN)C(=O)Nc1cccc(Cl)c1[O-] ZINC000423754810 387411653 /nfs/dbraw/zinc/41/16/53/387411653.db2.gz IMEYWOROJXVPHT-MRVPVSSYSA-N -1 3 244.678 0.958 20 0 BCADHM CC[C@@H](C)[C@H](N)C(=O)NCc1ncccc1[O-] ZINC000423762897 387415855 /nfs/dbraw/zinc/41/58/55/387415855.db2.gz VGNGSHRDVXTQTM-KCJUWKMLSA-N -1 3 237.303 0.777 20 0 BCADHM CC[C@@H](C)[C@@H](N)C(=O)NCc1ncccc1[O-] ZINC000423762900 387415919 /nfs/dbraw/zinc/41/59/19/387415919.db2.gz VGNGSHRDVXTQTM-LDYMZIIASA-N -1 3 237.303 0.777 20 0 BCADHM CO[C@@H]1CCCC[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC000361763292 387530712 /nfs/dbraw/zinc/53/07/12/387530712.db2.gz DNYMKUBHEFDNSQ-RKDXNWHRSA-N -1 3 240.307 0.156 20 0 BCADHM O=S(=O)(CCF)c1nc(C2CC2)n[n-]1 ZINC000361497867 387471516 /nfs/dbraw/zinc/47/15/16/387471516.db2.gz FWVREZAVQMMEMR-UHFFFAOYSA-N -1 3 219.241 0.425 20 0 BCADHM O=S(=O)(CCF)c1nnc(C2CC2)[n-]1 ZINC000361497867 387471519 /nfs/dbraw/zinc/47/15/19/387471519.db2.gz FWVREZAVQMMEMR-UHFFFAOYSA-N -1 3 219.241 0.425 20 0 BCADHM CC(F)(F)CCNC(=O)c1c[n-]nn1 ZINC000294293123 387591996 /nfs/dbraw/zinc/59/19/96/387591996.db2.gz UKWHFIFRZGNJSC-UHFFFAOYSA-N -1 3 204.180 0.580 20 0 BCADHM CC(F)(F)CCNC(=O)c1cnn[n-]1 ZINC000294293123 387591998 /nfs/dbraw/zinc/59/19/98/387591998.db2.gz UKWHFIFRZGNJSC-UHFFFAOYSA-N -1 3 204.180 0.580 20 0 BCADHM CC(F)(F)CCNC(=O)c1cn[n-]n1 ZINC000294293123 387592001 /nfs/dbraw/zinc/59/20/01/387592001.db2.gz UKWHFIFRZGNJSC-UHFFFAOYSA-N -1 3 204.180 0.580 20 0 BCADHM Cc1c(N=c2ncnc3[nH][n-]cc2-3)cnn1C ZINC000362560552 387629829 /nfs/dbraw/zinc/62/98/29/387629829.db2.gz MWHLBCLFGPLESF-UHFFFAOYSA-N -1 3 229.247 0.512 20 0 BCADHM CCOCCOCC(=O)[N-]c1nncn1CC ZINC000356079136 387614298 /nfs/dbraw/zinc/61/42/98/387614298.db2.gz MOWGKLQWSDNQGS-UHFFFAOYSA-N -1 3 242.279 0.290 20 0 BCADHM CSc1nnc(NC(=O)[C@H]2CCO[C@H]2C)[n-]1 ZINC000356073649 387614811 /nfs/dbraw/zinc/61/48/11/387614811.db2.gz XXQBWVXLBLPIGM-WDSKDSINSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H]2CCO[C@H]2C)n1 ZINC000356073649 387614814 /nfs/dbraw/zinc/61/48/14/387614814.db2.gz XXQBWVXLBLPIGM-WDSKDSINSA-N -1 3 242.304 0.890 20 0 BCADHM CSc1nc(NC(=O)[C@H]2CCO[C@H]2C)n[n-]1 ZINC000356073649 387614817 /nfs/dbraw/zinc/61/48/17/387614817.db2.gz XXQBWVXLBLPIGM-WDSKDSINSA-N -1 3 242.304 0.890 20 0 BCADHM CN(CC(C)(C)O)c1nc2nncc-2c(O)[n-]1 ZINC000356160244 387622213 /nfs/dbraw/zinc/62/22/13/387622213.db2.gz ASQQTRSHPICTKM-UHFFFAOYSA-N -1 3 237.263 0.266 20 0 BCADHM Cc1nc([N-]C(=O)[C@H](C)O)n(-c2ccccc2)n1 ZINC000612090381 387545522 /nfs/dbraw/zinc/54/55/22/387545522.db2.gz XNTBWIUVXTYPQP-QMMMGPOBSA-N -1 3 246.270 0.317 20 0 BCADHM O=S(=O)([N-]CCF)c1cccs1 ZINC000280827497 387573128 /nfs/dbraw/zinc/57/31/28/387573128.db2.gz VWJUGQRZDYYCCS-UHFFFAOYSA-N -1 3 209.267 0.996 20 0 BCADHM C[C@H](CO)C[N-]S(=O)(=O)c1cscn1 ZINC000645555979 387654528 /nfs/dbraw/zinc/65/45/28/387654528.db2.gz ZIUAVRZTBUAPQS-LURJTMIESA-N -1 3 236.318 0.050 20 0 BCADHM O=C(Nc1ccc2c(c1)CC(=O)N2)c1cnn[n-]1 ZINC000356423846 387658203 /nfs/dbraw/zinc/65/82/03/387658203.db2.gz SFEOIOXOYASVBM-UHFFFAOYSA-N -1 3 243.226 0.552 20 0 BCADHM O=C(Nc1ccc2c(c1)CC(=O)N2)c1c[n-]nn1 ZINC000356423846 387658205 /nfs/dbraw/zinc/65/82/05/387658205.db2.gz SFEOIOXOYASVBM-UHFFFAOYSA-N -1 3 243.226 0.552 20 0 BCADHM O=C(Nc1ccc2c(c1)CC(=O)N2)c1cn[n-]n1 ZINC000356423846 387658209 /nfs/dbraw/zinc/65/82/09/387658209.db2.gz SFEOIOXOYASVBM-UHFFFAOYSA-N -1 3 243.226 0.552 20 0 BCADHM Cc1nsc(NC(=O)c2cnn[n-]2)n1 ZINC000127633591 387723119 /nfs/dbraw/zinc/72/31/19/387723119.db2.gz WHROQFBMAWGZPY-UHFFFAOYSA-N -1 3 210.222 0.217 20 0 BCADHM Cc1nsc(NC(=O)c2c[n-]nn2)n1 ZINC000127633591 387723124 /nfs/dbraw/zinc/72/31/24/387723124.db2.gz WHROQFBMAWGZPY-UHFFFAOYSA-N -1 3 210.222 0.217 20 0 BCADHM COC(=O)c1cc(C(=O)Nc2ccncc2)c[n-]1 ZINC000431675420 387728338 /nfs/dbraw/zinc/72/83/38/387728338.db2.gz XQUKPIPZWXXFBO-UHFFFAOYSA-N -1 3 245.238 0.871 20 0 BCADHM O=C(c1cncc([O-])c1)N1CCN2CCC1CC2 ZINC000367676265 387742000 /nfs/dbraw/zinc/74/20/00/387742000.db2.gz UTMRBWHOENUPDJ-UHFFFAOYSA-N -1 3 247.298 0.707 20 0 BCADHM CC1(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)CC1 ZINC000564027158 387804342 /nfs/dbraw/zinc/80/43/42/387804342.db2.gz MCKNYTIIUPPOBO-MRVPVSSYSA-N -1 3 223.276 0.023 20 0 BCADHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000528209414 387871133 /nfs/dbraw/zinc/87/11/33/387871133.db2.gz VKLVSSAMHIWWPN-QHOPCYEYSA-N -1 3 247.302 0.950 20 0 BCADHM Cc1ccc([O-])c(CN2CCOCC2)n1 ZINC000154516168 387899263 /nfs/dbraw/zinc/89/92/63/387899263.db2.gz GTOGLDSTIVEQJJ-UHFFFAOYSA-N -1 3 208.261 0.928 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3C[C@H]4OCCC[C@H]34)c1-2 ZINC000438900703 387962529 /nfs/dbraw/zinc/96/25/29/387962529.db2.gz NKBSUXIKGJLTBD-SZEHBUNVSA-N -1 3 245.286 0.706 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@@H]3C[C@H]4OCCC[C@@H]34)c1-2 ZINC000438900697 387962944 /nfs/dbraw/zinc/96/29/44/387962944.db2.gz NKBSUXIKGJLTBD-FXBDTBDDSA-N -1 3 245.286 0.706 20 0 BCADHM COc1nnc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[n-]1 ZINC000245641420 387969886 /nfs/dbraw/zinc/96/98/86/387969886.db2.gz YPTABNXDXGAIQG-ZMONIFLSSA-N -1 3 222.248 0.798 20 0 BCADHM COc1nc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n[n-]1 ZINC000245641420 387969889 /nfs/dbraw/zinc/96/98/89/387969889.db2.gz YPTABNXDXGAIQG-ZMONIFLSSA-N -1 3 222.248 0.798 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 ZINC000245641420 387969892 /nfs/dbraw/zinc/96/98/92/387969892.db2.gz YPTABNXDXGAIQG-ZMONIFLSSA-N -1 3 222.248 0.798 20 0 BCADHM COc1ncccc1CNC(=O)c1c[n-]nn1 ZINC000108453655 388024386 /nfs/dbraw/zinc/02/43/86/388024386.db2.gz ARCCLELDCKBJKD-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1ncccc1CNC(=O)c1cnn[n-]1 ZINC000108453655 388024389 /nfs/dbraw/zinc/02/43/89/388024389.db2.gz ARCCLELDCKBJKD-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1ncccc1CNC(=O)c1cn[n-]n1 ZINC000108453655 388024391 /nfs/dbraw/zinc/02/43/91/388024391.db2.gz ARCCLELDCKBJKD-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1cccc(CNC(=O)c2c[n-]nn2)c1 ZINC000108285364 388024563 /nfs/dbraw/zinc/02/45/63/388024563.db2.gz MHJNVRCXHPIASA-UHFFFAOYSA-N -1 3 232.243 0.743 20 0 BCADHM COc1cccc(CNC(=O)c2cnn[n-]2)c1 ZINC000108285364 388024565 /nfs/dbraw/zinc/02/45/65/388024565.db2.gz MHJNVRCXHPIASA-UHFFFAOYSA-N -1 3 232.243 0.743 20 0 BCADHM COc1cccc(CNC(=O)c2cn[n-]n2)c1 ZINC000108285364 388024567 /nfs/dbraw/zinc/02/45/67/388024567.db2.gz MHJNVRCXHPIASA-UHFFFAOYSA-N -1 3 232.243 0.743 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCC[C@@H](O)C2)n[n-]1 ZINC000439745906 388017789 /nfs/dbraw/zinc/01/77/89/388017789.db2.gz PBCMOAATANSFMG-RNFRBKRXSA-N -1 3 240.263 0.303 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCC[C@@H](O)C2)[n-]1 ZINC000439745906 388017791 /nfs/dbraw/zinc/01/77/91/388017791.db2.gz PBCMOAATANSFMG-RNFRBKRXSA-N -1 3 240.263 0.303 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCC[C@@H](O)C2)n1 ZINC000439745906 388017794 /nfs/dbraw/zinc/01/77/94/388017794.db2.gz PBCMOAATANSFMG-RNFRBKRXSA-N -1 3 240.263 0.303 20 0 BCADHM CO[C@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)C1(C)C ZINC000440192695 388035027 /nfs/dbraw/zinc/03/50/27/388035027.db2.gz LMJTUWAGHHKHQU-BDAKNGLRSA-N -1 3 247.302 0.952 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@H]1CC=CCC1 ZINC000646265468 388173338 /nfs/dbraw/zinc/17/33/38/388173338.db2.gz UIFURTRPKZGEES-ZETCQYMHSA-N -1 3 232.247 0.747 20 0 BCADHM CC[C@@H](C)OCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646267598 388173488 /nfs/dbraw/zinc/17/34/88/388173488.db2.gz BUVZUHLCICIDDJ-ZCFIWIBFSA-N -1 3 238.251 0.206 20 0 BCADHM CCCCCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000646266523 388173899 /nfs/dbraw/zinc/17/38/99/388173899.db2.gz AWUFWLHHEDRNPO-UHFFFAOYSA-N -1 3 222.252 0.971 20 0 BCADHM O=C(Cc1ccsc1)[N-]c1nnc2[nH]cnn12 ZINC000646268321 388174021 /nfs/dbraw/zinc/17/40/21/388174021.db2.gz VDWDVOYQJLLEIH-UHFFFAOYSA-N -1 3 248.271 0.695 20 0 BCADHM O=C(NCCO[C@H]1CCCCO1)c1c[n-]nn1 ZINC000646304137 388185208 /nfs/dbraw/zinc/18/52/08/388185208.db2.gz LLWYLNSNBCYLED-VIFPVBQESA-N -1 3 240.263 0.078 20 0 BCADHM O=C(NCCO[C@H]1CCCCO1)c1cnn[n-]1 ZINC000646304137 388185209 /nfs/dbraw/zinc/18/52/09/388185209.db2.gz LLWYLNSNBCYLED-VIFPVBQESA-N -1 3 240.263 0.078 20 0 BCADHM O=C(NCCO[C@H]1CCCCO1)c1cn[n-]n1 ZINC000646304137 388185211 /nfs/dbraw/zinc/18/52/11/388185211.db2.gz LLWYLNSNBCYLED-VIFPVBQESA-N -1 3 240.263 0.078 20 0 BCADHM O=C([N-]c1nc2ccccn2n1)c1ccncn1 ZINC000489608059 388221950 /nfs/dbraw/zinc/22/19/50/388221950.db2.gz HDAWYVPESBEQOA-UHFFFAOYSA-N -1 3 240.226 0.772 20 0 BCADHM CO[C@@H]1CN(Cc2cc([O-])cc(F)c2)C[C@H]1O ZINC000449573192 388236366 /nfs/dbraw/zinc/23/63/66/388236366.db2.gz RDDIOVAPLBWWGL-VXGBXAGGSA-N -1 3 241.262 0.723 20 0 BCADHM CCN(CC(N)=O)C(=O)/C=C\c1cncc([O-])c1 ZINC000492030951 388332041 /nfs/dbraw/zinc/33/20/41/388332041.db2.gz JZEXKWQWHSYXQY-ARJAWSKDSA-N -1 3 249.270 0.134 20 0 BCADHM C[C@@H]1C[C@H](O)CN1C(=O)/C=C\c1cncc([O-])c1 ZINC000492050623 388332782 /nfs/dbraw/zinc/33/27/82/388332782.db2.gz VFJJLFJMGJCGFF-QBQLBGLSSA-N -1 3 248.282 0.782 20 0 BCADHM CC[C@@H](CO)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492397918 388343506 /nfs/dbraw/zinc/34/35/06/388343506.db2.gz KTRCQLJKQHDPHN-XOULXFPDSA-N -1 3 236.271 0.688 20 0 BCADHM CN(C)C1CN(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000492396841 388343611 /nfs/dbraw/zinc/34/36/11/388343611.db2.gz JDCKTCLPSNKCCM-ARJAWSKDSA-N -1 3 247.298 0.573 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1nccc(C)n1 ZINC000524236480 388351429 /nfs/dbraw/zinc/35/14/29/388351429.db2.gz OJDBGICFWLNQJJ-SECBINFHSA-N -1 3 233.275 0.709 20 0 BCADHM CC[C@H](C)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000524395561 388357066 /nfs/dbraw/zinc/35/70/66/388357066.db2.gz BGSSHGYAAYHNHC-CBAPKCEASA-N -1 3 225.292 0.661 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccncc1 ZINC000524387844 388357317 /nfs/dbraw/zinc/35/73/17/388357317.db2.gz DBLYMJMKWYLNNV-SNVBAGLBSA-N -1 3 246.270 0.323 20 0 BCADHM CN1CC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]21 ZINC000572694411 388366764 /nfs/dbraw/zinc/36/67/64/388366764.db2.gz KULOHZYFIBPYQH-ZJUUUORDSA-N -1 3 247.298 0.563 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1C[C@@H](F)[C@@H](F)C1 ZINC000519715145 256656325 /nfs/dbraw/zinc/65/63/25/256656325.db2.gz VBRFCSWOJSYWOJ-AOOOYVTPSA-N -1 3 242.225 0.848 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1CCO[C@@H]2C[C@@H]21 ZINC000646741575 388451139 /nfs/dbraw/zinc/45/11/39/388451139.db2.gz DXNBYRAJSKPONO-NKWVEPMBSA-N -1 3 226.257 0.462 20 0 BCADHM C[C@@H](CNC(=O)C(=O)[O-])N1CCCC[C@H]1C ZINC000336722341 388469163 /nfs/dbraw/zinc/46/91/63/388469163.db2.gz ASEPCBUYSGXVJQ-BDAKNGLRSA-N -1 3 228.292 0.450 20 0 BCADHM CC(C)CO[N-]C(=O)c1ccc(=O)[nH]c1 ZINC000134128249 388474459 /nfs/dbraw/zinc/47/44/59/388474459.db2.gz AXXLBNSALCNKDM-UHFFFAOYSA-N -1 3 210.233 0.692 20 0 BCADHM CO[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000339057128 388478056 /nfs/dbraw/zinc/47/80/56/388478056.db2.gz VDWUYHPJHUWJIQ-MRVPVSSYSA-N -1 3 245.304 0.113 20 0 BCADHM Cc1ncn(CCCOC([O-])=NC(N)=O)c1C ZINC000177278717 388479453 /nfs/dbraw/zinc/47/94/53/388479453.db2.gz ZSIZYPJBKKDDQV-UHFFFAOYSA-N -1 3 240.263 0.695 20 0 BCADHM Cc1ncn(CCCOC(=O)N=C(N)[O-])c1C ZINC000177278717 388479457 /nfs/dbraw/zinc/47/94/57/388479457.db2.gz ZSIZYPJBKKDDQV-UHFFFAOYSA-N -1 3 240.263 0.695 20 0 BCADHM Cc1ncn(CCCOC(=O)[N-]C(N)=O)c1C ZINC000177278717 388479458 /nfs/dbraw/zinc/47/94/58/388479458.db2.gz ZSIZYPJBKKDDQV-UHFFFAOYSA-N -1 3 240.263 0.695 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC1CCOCC1 ZINC000646719692 388429687 /nfs/dbraw/zinc/42/96/87/388429687.db2.gz UTRMVVLMGWDJSI-UHFFFAOYSA-N -1 3 236.271 0.625 20 0 BCADHM C[C@@H](C(=O)Nc1nnn[n-]1)N1CCCCCC1 ZINC000175487895 388433015 /nfs/dbraw/zinc/43/30/15/388433015.db2.gz CFHUOFXIIYBZCU-QMMMGPOBSA-N -1 3 238.295 0.403 20 0 BCADHM C[C@@H](C(=O)Nc1nn[n-]n1)N1CCCCCC1 ZINC000175487895 388433018 /nfs/dbraw/zinc/43/30/18/388433018.db2.gz CFHUOFXIIYBZCU-QMMMGPOBSA-N -1 3 238.295 0.403 20 0 BCADHM O=C(Nc1nnn[n-]1)[C@@H]1CNCc2ccccc21 ZINC000517236651 388544475 /nfs/dbraw/zinc/54/44/75/388544475.db2.gz DDJSSRCVGHWLEA-SECBINFHSA-N -1 3 244.258 0.025 20 0 BCADHM O=C(Nc1nn[n-]n1)[C@@H]1CNCc2ccccc21 ZINC000517236651 388544477 /nfs/dbraw/zinc/54/44/77/388544477.db2.gz DDJSSRCVGHWLEA-SECBINFHSA-N -1 3 244.258 0.025 20 0 BCADHM CS(=O)(=O)[N-][C@@H]1Cc2ccccc2NC1=O ZINC000528542998 388544715 /nfs/dbraw/zinc/54/47/15/388544715.db2.gz SHRVSAAJDXRHHP-SECBINFHSA-N -1 3 240.284 0.099 20 0 BCADHM CO[C@@H](C[N-]S(=O)(=O)c1c[nH]cn1)C(C)C ZINC000342308234 388497438 /nfs/dbraw/zinc/49/74/38/388497438.db2.gz LRZISDGUEAKYJV-QMMMGPOBSA-N -1 3 247.320 0.359 20 0 BCADHM CN(C)C1(CNC(=O)c2ncccc2[O-])CC1 ZINC000397800486 388500628 /nfs/dbraw/zinc/50/06/28/388500628.db2.gz VIWPJESHTYVTFD-UHFFFAOYSA-N -1 3 235.287 0.611 20 0 BCADHM Oc1[n-]c(N2C[C@H](O)C3(CC3)C2)nc2nncc1-2 ZINC000548286096 388526109 /nfs/dbraw/zinc/52/61/09/388526109.db2.gz LBJWAEOBMLRHKR-ZETCQYMHSA-N -1 3 247.258 0.020 20 0 BCADHM Cn1cc(C(=O)N[C@@H]2C[C@H]2C2CC2)c(=O)[n-]c1=O ZINC000517007051 388531146 /nfs/dbraw/zinc/53/11/46/388531146.db2.gz ASFUKPAQLVAUHP-IONNQARKSA-N -1 3 249.270 0.014 20 0 BCADHM COc1nc(NC(=O)C[C@@H]2CCOC2)n[n-]1 ZINC000352639256 388536956 /nfs/dbraw/zinc/53/69/56/388536956.db2.gz YNXJZVVBUKKQKR-LURJTMIESA-N -1 3 226.236 0.178 20 0 BCADHM COc1nnc(NC(=O)C[C@@H]2CCOC2)[n-]1 ZINC000352639256 388536959 /nfs/dbraw/zinc/53/69/59/388536959.db2.gz YNXJZVVBUKKQKR-LURJTMIESA-N -1 3 226.236 0.178 20 0 BCADHM COc1n[n-]c(NC(=O)C[C@@H]2CCOC2)n1 ZINC000352639256 388536962 /nfs/dbraw/zinc/53/69/62/388536962.db2.gz YNXJZVVBUKKQKR-LURJTMIESA-N -1 3 226.236 0.178 20 0 BCADHM CC(=O)[N-]OCc1cc(CO)ccc1F ZINC000530159205 388616974 /nfs/dbraw/zinc/61/69/74/388616974.db2.gz FAAURRUCFFXLFJ-UHFFFAOYSA-N -1 3 213.208 0.886 20 0 BCADHM C[C@@H](O)CCN(C)c1ccncc1C(=O)[O-] ZINC000219784189 388597986 /nfs/dbraw/zinc/59/79/86/388597986.db2.gz OFSFYDBBRLGUPH-MRVPVSSYSA-N -1 3 224.260 0.987 20 0 BCADHM CCC[C@H](O)CNC(=O)c1c([O-])cccc1O ZINC000220256888 388602509 /nfs/dbraw/zinc/60/25/09/388602509.db2.gz HIVFFHFFZVQNCS-QMMMGPOBSA-N -1 3 239.271 0.989 20 0 BCADHM O=C(NCC1COC1)c1cccc([O-])c1 ZINC000530112339 388609787 /nfs/dbraw/zinc/60/97/87/388609787.db2.gz MCFXTXZZPLAHLE-UHFFFAOYSA-N -1 3 207.229 0.768 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC000528761942 388569277 /nfs/dbraw/zinc/56/92/77/388569277.db2.gz KHZJJFOLQGCRQL-JIOCBJNQSA-N -1 3 240.307 0.010 20 0 BCADHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC000528761938 388569365 /nfs/dbraw/zinc/56/93/65/388569365.db2.gz KHZJJFOLQGCRQL-IBCQBUCCSA-N -1 3 240.307 0.010 20 0 BCADHM O=C(NCC1COC1)c1c([O-])cccc1O ZINC000530277415 388642043 /nfs/dbraw/zinc/64/20/43/388642043.db2.gz RCZSITYYUSZMOI-UHFFFAOYSA-N -1 3 223.228 0.474 20 0 BCADHM Cc1cc(C(=O)N[C@@H](C)CO)ccc1[O-] ZINC000227018080 388736873 /nfs/dbraw/zinc/73/68/73/388736873.db2.gz CSGXCEWXNLNRKF-QMMMGPOBSA-N -1 3 209.245 0.811 20 0 BCADHM CC[C@@H](OC)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522262971 388740188 /nfs/dbraw/zinc/74/01/88/388740188.db2.gz KYMTWPOYTFPEAF-DTWKUNHWSA-N -1 3 241.291 0.040 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC[C@@H]1CCCO1 ZINC000553158568 388750433 /nfs/dbraw/zinc/75/04/33/388750433.db2.gz DKLYHTHILOTBRL-NSHDSACASA-N -1 3 236.271 0.625 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CC(F)C1 ZINC000621951017 388688727 /nfs/dbraw/zinc/68/87/27/388688727.db2.gz KMPWZUCOLSUJTP-UHFFFAOYSA-N -1 3 214.171 0.720 20 0 BCADHM C/C=C/C=C\C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225912343 388692635 /nfs/dbraw/zinc/69/26/35/388692635.db2.gz KKCJPZIPCWQUCT-DEQVHDEQSA-N -1 3 240.303 0.594 20 0 BCADHM CCc1cnc(S(=O)(=O)C[C@@H](C)O)[n-]1 ZINC000193172773 388695484 /nfs/dbraw/zinc/69/54/84/388695484.db2.gz WGTMJVULWVSBLL-ZCFIWIBFSA-N -1 3 218.278 0.127 20 0 BCADHM CCc1c[n-]c(S(=O)(=O)C[C@@H](C)O)n1 ZINC000193172773 388695485 /nfs/dbraw/zinc/69/54/85/388695485.db2.gz WGTMJVULWVSBLL-ZCFIWIBFSA-N -1 3 218.278 0.127 20 0 BCADHM COc1nnc(NC(=O)Cc2ccc(O)cc2)[n-]1 ZINC000126798736 388702492 /nfs/dbraw/zinc/70/24/92/388702492.db2.gz PKUWALXFFGFWQB-UHFFFAOYSA-N -1 3 248.242 0.700 20 0 BCADHM COc1nc(NC(=O)Cc2ccc(O)cc2)n[n-]1 ZINC000126798736 388702496 /nfs/dbraw/zinc/70/24/96/388702496.db2.gz PKUWALXFFGFWQB-UHFFFAOYSA-N -1 3 248.242 0.700 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2ccc(O)cc2)n1 ZINC000126798736 388702498 /nfs/dbraw/zinc/70/24/98/388702498.db2.gz PKUWALXFFGFWQB-UHFFFAOYSA-N -1 3 248.242 0.700 20 0 BCADHM O=S(=O)([N-]C[C@H]1CCCS1)c1c[nH]cn1 ZINC000087475832 388706724 /nfs/dbraw/zinc/70/67/24/388706724.db2.gz HQLKGSVNXXMVEY-SSDOTTSWSA-N -1 3 247.345 0.584 20 0 BCADHM C[C@H](CC(N)=O)NC(=O)c1ccc(O)cc1[O-] ZINC000226301683 388714935 /nfs/dbraw/zinc/71/49/35/388714935.db2.gz YVXPKVAGVHPOMB-ZCFIWIBFSA-N -1 3 238.243 0.092 20 0 BCADHM CCCn1nccc1NC(=O)c1cnn[n-]1 ZINC000194175894 388725293 /nfs/dbraw/zinc/72/52/93/388725293.db2.gz CQORKUOHQCLSGI-UHFFFAOYSA-N -1 3 220.236 0.664 20 0 BCADHM CCCn1nccc1NC(=O)c1c[n-]nn1 ZINC000194175894 388725295 /nfs/dbraw/zinc/72/52/95/388725295.db2.gz CQORKUOHQCLSGI-UHFFFAOYSA-N -1 3 220.236 0.664 20 0 BCADHM CCCn1nccc1NC(=O)c1cn[n-]n1 ZINC000194175894 388725299 /nfs/dbraw/zinc/72/52/99/388725299.db2.gz CQORKUOHQCLSGI-UHFFFAOYSA-N -1 3 220.236 0.664 20 0 BCADHM Cc1nc(NC(=O)c2ccc(O)cc2[O-])n[nH]1 ZINC000127832882 388731674 /nfs/dbraw/zinc/73/16/74/388731674.db2.gz VVACPVQARPDLPN-UHFFFAOYSA-N -1 3 234.215 0.777 20 0 BCADHM CN(CCN1CCCC1)Cc1n[nH]c(=O)[n-]1 ZINC000540350452 388804803 /nfs/dbraw/zinc/80/48/03/388804803.db2.gz PACCQKUQEDDKFP-UHFFFAOYSA-N -1 3 225.296 0.038 20 0 BCADHM CC[C@H](O)C[N-]S(=O)(=O)c1cccs1 ZINC000230023911 388811928 /nfs/dbraw/zinc/81/19/28/388811928.db2.gz BBFKYLARWMWCGC-ZETCQYMHSA-N -1 3 235.330 0.797 20 0 BCADHM O=c1[n-]c(=O)n(C[C@@H]2CCCCO2)cc1Cl ZINC000091329553 388761396 /nfs/dbraw/zinc/76/13/96/388761396.db2.gz LRWJCVPVAPSSPS-ZETCQYMHSA-N -1 3 244.678 0.759 20 0 BCADHM COC[C@@H]1CCN1C(=O)c1csc(=O)[n-]1 ZINC000554577493 388821916 /nfs/dbraw/zinc/82/19/16/388821916.db2.gz IFHLKUQMPRSENO-LURJTMIESA-N -1 3 228.273 0.710 20 0 BCADHM CC(=O)N1CCN(Cc2ncccc2[O-])[C@H](C)C1 ZINC000554855348 388832995 /nfs/dbraw/zinc/83/29/95/388832995.db2.gz QEJAIRJBGYESFN-SNVBAGLBSA-N -1 3 249.314 0.840 20 0 BCADHM CN1CCCN(Cc2ncccc2[O-])CC1 ZINC000554854379 388833535 /nfs/dbraw/zinc/83/35/35/388833535.db2.gz OJAFIDMMVQZHKJ-UHFFFAOYSA-N -1 3 221.304 0.925 20 0 BCADHM COCCN(CCOC)Cc1ncccc1[O-] ZINC000554854421 388833544 /nfs/dbraw/zinc/83/35/44/388833544.db2.gz PBLHAOFTMZMJCI-UHFFFAOYSA-N -1 3 240.303 0.882 20 0 BCADHM COCCS(=O)(=O)[N-]Cc1cc(C)on1 ZINC000523767427 388859513 /nfs/dbraw/zinc/85/95/13/388859513.db2.gz BGZZFJKZJHSXMI-UHFFFAOYSA-N -1 3 234.277 0.049 20 0 BCADHM CCN(CC)S(=O)(=O)[N-]CC(C)(F)F ZINC000555406778 388849385 /nfs/dbraw/zinc/84/93/85/388849385.db2.gz AYDCBSUTMJLBOS-UHFFFAOYSA-N -1 3 230.280 0.818 20 0 BCADHM Cc1cc(C(=O)N2CN(C)C(=O)[C@@H]2C)ccc1[O-] ZINC000649159296 388882572 /nfs/dbraw/zinc/88/25/72/388882572.db2.gz LMNCLXOIZXGMKL-VIFPVBQESA-N -1 3 248.282 0.961 20 0 BCADHM C[C@H](O)CCCNC(=O)c1cccc2[n-]nnc21 ZINC000565872860 388975185 /nfs/dbraw/zinc/97/51/85/388975185.db2.gz LIELCURXBSHLSD-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM C[C@H](O)CCCNC(=O)c1cccc2nn[n-]c21 ZINC000565872860 388975182 /nfs/dbraw/zinc/97/51/82/388975182.db2.gz LIELCURXBSHLSD-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM C[C@H](O)CCCNC(=O)c1cccc2n[n-]nc21 ZINC000565872860 388975187 /nfs/dbraw/zinc/97/51/87/388975187.db2.gz LIELCURXBSHLSD-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM Cc1nnc(CCNC(=O)c2cncc([O-])c2)[nH]1 ZINC000267212591 388999462 /nfs/dbraw/zinc/99/94/62/388999462.db2.gz SGRZGUDMHCEKRZ-UHFFFAOYSA-N -1 3 247.258 0.186 20 0 BCADHM Cc1cc(C(=O)N[C@@H]2CC(=O)N(C)C2)ccc1[O-] ZINC000272371808 389031378 /nfs/dbraw/zinc/03/13/78/389031378.db2.gz DMRSWFXWRFSCJY-SNVBAGLBSA-N -1 3 248.282 0.661 20 0 BCADHM CN(C)C1CN(C(=O)c2cncc([O-])c2)C1 ZINC000270721182 389012812 /nfs/dbraw/zinc/01/28/12/389012812.db2.gz BUSYNMYTCCWZOA-UHFFFAOYSA-N -1 3 221.260 0.173 20 0 BCADHM C[C@@H](O)CCNC(=O)/C=C\c1cncc([O-])c1 ZINC000493647415 533616073 /nfs/dbraw/zinc/61/60/73/533616073.db2.gz BSMNVUGBBPYLON-PKRMOACSSA-N -1 3 236.271 0.688 20 0 BCADHM CCC(=O)Nc1n[n-]c(SCCO)n1 ZINC000120689130 168248145 /nfs/dbraw/zinc/24/81/45/168248145.db2.gz XXFWCISKWHJLPU-UHFFFAOYSA-N -1 3 216.266 0.238 20 0 BCADHM O=C(c1cn[n-]n1)N1C[C@@H](O)Cc2ccccc21 ZINC000279556454 132209426 /nfs/dbraw/zinc/20/94/26/132209426.db2.gz PPVYJJDPOJOYBR-VIFPVBQESA-N -1 3 244.254 0.369 20 0 BCADHM O=C(c1cnn[n-]1)N1C[C@@H](O)Cc2ccccc21 ZINC000279556454 132209422 /nfs/dbraw/zinc/20/94/22/132209422.db2.gz PPVYJJDPOJOYBR-VIFPVBQESA-N -1 3 244.254 0.369 20 0 BCADHM O=C(c1c[n-]nn1)N1C[C@@H](O)Cc2ccccc21 ZINC000279556454 132209424 /nfs/dbraw/zinc/20/94/24/132209424.db2.gz PPVYJJDPOJOYBR-VIFPVBQESA-N -1 3 244.254 0.369 20 0 BCADHM O=C(c1cnn[n-]1)N1C[C@H](O)Cc2ccccc21 ZINC000279556450 132209643 /nfs/dbraw/zinc/20/96/43/132209643.db2.gz PPVYJJDPOJOYBR-SECBINFHSA-N -1 3 244.254 0.369 20 0 BCADHM O=C(c1c[n-]nn1)N1C[C@H](O)Cc2ccccc21 ZINC000279556450 132209644 /nfs/dbraw/zinc/20/96/44/132209644.db2.gz PPVYJJDPOJOYBR-SECBINFHSA-N -1 3 244.254 0.369 20 0 BCADHM O=C(c1cn[n-]n1)N1C[C@H](O)Cc2ccccc21 ZINC000279556450 132209645 /nfs/dbraw/zinc/20/96/45/132209645.db2.gz PPVYJJDPOJOYBR-SECBINFHSA-N -1 3 244.254 0.369 20 0 BCADHM C[C@H]1CN(c2nc3nncc-3c(O)[n-]2)CCO1 ZINC000329175598 132244011 /nfs/dbraw/zinc/24/40/11/132244011.db2.gz MLVJCVAVVNLZLY-LURJTMIESA-N -1 3 235.247 0.284 20 0 BCADHM O=C(NCc1ccno1)c1ccc2n[n-]nc2c1 ZINC000351923784 134006458 /nfs/dbraw/zinc/00/64/58/134006458.db2.gz ALSBXZZAQZUOKP-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM C[C@@H]1NC(=O)N(Cc2ccc([O-])c(F)c2)C1=O ZINC000335963613 134027391 /nfs/dbraw/zinc/02/73/91/134027391.db2.gz GYYLWTDIJKYKSG-LURJTMIESA-N -1 3 238.218 0.972 20 0 BCADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CNC(=O)C2)c1 ZINC000335997308 134042441 /nfs/dbraw/zinc/04/24/41/134042441.db2.gz AZLMCCXSNMICMC-VIFPVBQESA-N -1 3 248.282 0.573 20 0 BCADHM O=C(N[C@@H](CO)c1ccsc1)c1c[n-]nn1 ZINC000352044254 134045937 /nfs/dbraw/zinc/04/59/37/134045937.db2.gz GTHWMIYDHZYAQY-QMMMGPOBSA-N -1 3 238.272 0.330 20 0 BCADHM O=C(N[C@@H](CO)c1ccsc1)c1cnn[n-]1 ZINC000352044254 134045938 /nfs/dbraw/zinc/04/59/38/134045938.db2.gz GTHWMIYDHZYAQY-QMMMGPOBSA-N -1 3 238.272 0.330 20 0 BCADHM O=C(N[C@@H](CO)c1ccsc1)c1cn[n-]n1 ZINC000352044254 134045939 /nfs/dbraw/zinc/04/59/39/134045939.db2.gz GTHWMIYDHZYAQY-QMMMGPOBSA-N -1 3 238.272 0.330 20 0 BCADHM NC(=O)CCCCC(=O)Nc1ncccc1[O-] ZINC000352140384 134082145 /nfs/dbraw/zinc/08/21/45/134082145.db2.gz LFUAUUXQNALLRY-UHFFFAOYSA-N -1 3 237.259 0.771 20 0 BCADHM CC1CCN(Cc2nn(C)c(=O)[n-]2)CC1 ZINC000336147381 134102608 /nfs/dbraw/zinc/10/26/08/134102608.db2.gz KPXFDTSJDCTAGV-UHFFFAOYSA-N -1 3 210.281 0.340 20 0 BCADHM O=C1[N-]C(=O)N2CCN(CC3=CCCCC3)C[C@H]12 ZINC000336196993 134127001 /nfs/dbraw/zinc/12/70/01/134127001.db2.gz RPTWGCKLVFLFSC-LLVKDONJSA-N -1 3 249.314 0.723 20 0 BCADHM O=S(=O)(Nc1cc([O-])cc(F)c1)N1CCC1 ZINC000408067051 134385229 /nfs/dbraw/zinc/38/52/29/134385229.db2.gz IPKDEJIMXKHLQA-UHFFFAOYSA-N -1 3 246.263 0.894 20 0 BCADHM O=S(=O)([N-]CCCCO)c1cncc(F)c1 ZINC000236503086 134829613 /nfs/dbraw/zinc/82/96/13/134829613.db2.gz BTIAXOPTCNYHSJ-UHFFFAOYSA-N -1 3 248.279 0.272 20 0 BCADHM CC[C@@H](COC)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000070659707 135006340 /nfs/dbraw/zinc/00/63/40/135006340.db2.gz FCIDXJWGMJCGTC-ZETCQYMHSA-N -1 3 233.293 0.113 20 0 BCADHM C[S@@](=O)CCCNC(=O)c1cccc([O-])c1 ZINC000163672050 135043577 /nfs/dbraw/zinc/04/35/77/135043577.db2.gz FEVYSALFOBRQDR-INIZCTEOSA-N -1 3 241.312 0.891 20 0 BCADHM CCC[C@@H](NC(=O)CN(C)C(C)C)C(=O)[O-] ZINC000261575830 135216390 /nfs/dbraw/zinc/21/63/90/135216390.db2.gz JXIMDPFGAGYFHN-SECBINFHSA-N -1 3 230.308 0.696 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000261576049 135217297 /nfs/dbraw/zinc/21/72/97/135217297.db2.gz KBILUZHDXQUFJS-RKDXNWHRSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@@H](NC(=O)CN1[C@H](C)CC[C@H]1C)C(=O)[O-] ZINC000261587944 135228777 /nfs/dbraw/zinc/22/87/77/135228777.db2.gz RZKYSMUZHJKDOT-IWSPIJDZSA-N -1 3 228.292 0.449 20 0 BCADHM C[C@H](C(=O)[O-])N1CCCN(CC(F)F)CC1 ZINC000261588236 135229518 /nfs/dbraw/zinc/22/95/18/135229518.db2.gz SFCJTZSEFILFHH-MRVPVSSYSA-N -1 3 236.262 0.732 20 0 BCADHM CCCCS(=O)(=O)[N-][C@H](C(=O)OC)C1CC1 ZINC000342259246 135258837 /nfs/dbraw/zinc/25/88/37/135258837.db2.gz HXBIXXQBXWHQQS-VIFPVBQESA-N -1 3 249.332 0.658 20 0 BCADHM O=C(NCc1ncccc1[O-])c1cnns1 ZINC000342364050 135263169 /nfs/dbraw/zinc/26/31/69/135263169.db2.gz VUXLENODBQTRNZ-UHFFFAOYSA-N -1 3 236.256 0.569 20 0 BCADHM C[C@H](C(=O)NCCC(=O)[O-])N1CCCCCC1 ZINC000262236802 135286074 /nfs/dbraw/zinc/28/60/74/135286074.db2.gz NXXGHRSKVNIPGB-SNVBAGLBSA-N -1 3 242.319 0.842 20 0 BCADHM CC[C@H]1C[C@H](C)CN1CC(=O)NCC(=O)[O-] ZINC000262239873 135287207 /nfs/dbraw/zinc/28/72/07/135287207.db2.gz OMMOHOQSBNDUGW-IUCAKERBSA-N -1 3 228.292 0.308 20 0 BCADHM CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)[O-] ZINC000262245044 135287466 /nfs/dbraw/zinc/28/74/66/135287466.db2.gz CFZLESMPEXUPCT-VHSXEESVSA-N -1 3 244.335 0.942 20 0 BCADHM O=C([O-])CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000262247842 135287544 /nfs/dbraw/zinc/28/75/44/135287544.db2.gz OYUJEDBCOSRYOH-LLVKDONJSA-N -1 3 248.282 0.634 20 0 BCADHM C[C@@H](N(C)CC(=O)NCC(=O)[O-])C1(C)CC1 ZINC000262273479 135289134 /nfs/dbraw/zinc/28/91/34/135289134.db2.gz VGYCGPSQBOVRQO-MRVPVSSYSA-N -1 3 228.292 0.308 20 0 BCADHM Cc1cc(CNC(=O)c2c[n-]nn2)nc(C)n1 ZINC000342679193 135305074 /nfs/dbraw/zinc/30/50/74/135305074.db2.gz NUGPUZOSWIDFGZ-UHFFFAOYSA-N -1 3 232.247 0.142 20 0 BCADHM Cc1cc(CNC(=O)c2cnn[n-]2)nc(C)n1 ZINC000342679193 135305075 /nfs/dbraw/zinc/30/50/75/135305075.db2.gz NUGPUZOSWIDFGZ-UHFFFAOYSA-N -1 3 232.247 0.142 20 0 BCADHM Cc1cc(CNC(=O)c2cn[n-]n2)nc(C)n1 ZINC000342679193 135305076 /nfs/dbraw/zinc/30/50/76/135305076.db2.gz NUGPUZOSWIDFGZ-UHFFFAOYSA-N -1 3 232.247 0.142 20 0 BCADHM CCCN(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262624705 135309832 /nfs/dbraw/zinc/30/98/32/135309832.db2.gz DESRAGNVKQKSBD-SNVBAGLBSA-N -1 3 242.319 0.651 20 0 BCADHM C[C@H]1CC[C@@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000334405706 135394230 /nfs/dbraw/zinc/39/42/30/135394230.db2.gz QDLDSNNUBXQLOA-XPUUQOCRSA-N -1 3 237.259 0.014 20 0 BCADHM Cn1cc(C(=O)Nc2ncccc2[O-])nn1 ZINC000082261164 135431951 /nfs/dbraw/zinc/43/19/51/135431951.db2.gz PIPCHDCECOXTRN-UHFFFAOYSA-N -1 3 219.204 0.168 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC(=O)N(C)C2)c1 ZINC000335312896 136030401 /nfs/dbraw/zinc/03/04/01/136030401.db2.gz HWHVBUDZADNTBM-UHFFFAOYSA-N -1 3 234.255 0.572 20 0 BCADHM NCC(=O)N1CCCc2cccc([O-])c21 ZINC000335346771 136066853 /nfs/dbraw/zinc/06/68/53/136066853.db2.gz VZIUYMQMTNSDDP-UHFFFAOYSA-N -1 3 206.245 0.630 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2CCC2(C)C)n1 ZINC000335387568 136089162 /nfs/dbraw/zinc/08/91/62/136089162.db2.gz HAPUOTPLMXWOIG-MRVPVSSYSA-N -1 3 243.332 0.887 20 0 BCADHM O=c1[n-]nc(CN2CCO[C@@H](C3CC3)C2)s1 ZINC000367047936 136113116 /nfs/dbraw/zinc/11/31/16/136113116.db2.gz OPQVZXFYDJYVER-MRVPVSSYSA-N -1 3 241.316 0.855 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCc2nncn2C)c1 ZINC000044913213 322843745 /nfs/dbraw/zinc/84/37/45/322843745.db2.gz RCOLNURBCXKAJE-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM O=S(=O)([N-]CCF)c1cccnc1 ZINC000280764081 397745777 /nfs/dbraw/zinc/74/57/77/397745777.db2.gz NRZXVRHBQYSJEE-UHFFFAOYSA-N -1 3 204.226 0.329 20 0 BCADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ncon1 ZINC000182957161 397829057 /nfs/dbraw/zinc/82/90/57/397829057.db2.gz SWRZXRVIHASZEE-ZCFIWIBFSA-N -1 3 249.226 0.972 20 0 BCADHM Cc1noc([C@@H](C)[N-]S(=O)(=O)NC(C)C)n1 ZINC000408138396 397933122 /nfs/dbraw/zinc/93/31/22/397933122.db2.gz BYMDQVDKBIQHNI-ZCFIWIBFSA-N -1 3 248.308 0.271 20 0 BCADHM CC(C)C1(CNC(=O)c2c[n-]nn2)CC1 ZINC000175489948 398045234 /nfs/dbraw/zinc/04/52/34/398045234.db2.gz DBXJJTJJCPGRSH-UHFFFAOYSA-N -1 3 208.265 0.971 20 0 BCADHM CC(C)C1(CNC(=O)c2cnn[n-]2)CC1 ZINC000175489948 398045236 /nfs/dbraw/zinc/04/52/36/398045236.db2.gz DBXJJTJJCPGRSH-UHFFFAOYSA-N -1 3 208.265 0.971 20 0 BCADHM CC(C)C1(CNC(=O)c2cn[n-]n2)CC1 ZINC000175489948 398045238 /nfs/dbraw/zinc/04/52/38/398045238.db2.gz DBXJJTJJCPGRSH-UHFFFAOYSA-N -1 3 208.265 0.971 20 0 BCADHM COC(=O)c1cnc(SCC2OCCO2)[n-]1 ZINC000278579979 398038682 /nfs/dbraw/zinc/03/86/82/398038682.db2.gz FRDAOLWSWSDUSG-UHFFFAOYSA-N -1 3 244.272 0.661 20 0 BCADHM COc1ccc(NC(=O)c2cn(C)nn2)c([O-])c1 ZINC000554887397 397974553 /nfs/dbraw/zinc/97/45/53/397974553.db2.gz LITYRJGKRKXJQX-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM COc1cc(C(=O)N[C@@H](C)CCO)ccc1[O-] ZINC000272672092 397982881 /nfs/dbraw/zinc/98/28/81/397982881.db2.gz WEKXFPGQULYSHF-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM Cc1ccc([O-])c(CNC2COCCOC2)n1 ZINC000384181540 398072576 /nfs/dbraw/zinc/07/25/76/398072576.db2.gz ZJRXEZYSFOIUSM-UHFFFAOYSA-N -1 3 238.287 0.601 20 0 BCADHM O=C(NCCc1ccccc1)c1c[n-]nn1 ZINC000048888819 398120045 /nfs/dbraw/zinc/12/00/45/398120045.db2.gz RRLHSONRVBQZRS-UHFFFAOYSA-N -1 3 216.244 0.777 20 0 BCADHM O=C(NCCc1ccccc1)c1cnn[n-]1 ZINC000048888819 398120047 /nfs/dbraw/zinc/12/00/47/398120047.db2.gz RRLHSONRVBQZRS-UHFFFAOYSA-N -1 3 216.244 0.777 20 0 BCADHM O=C(NCCc1ccccc1)c1cn[n-]n1 ZINC000048888819 398120049 /nfs/dbraw/zinc/12/00/49/398120049.db2.gz RRLHSONRVBQZRS-UHFFFAOYSA-N -1 3 216.244 0.777 20 0 BCADHM Cc1ccc(C(=O)N[C@@H](C)C(N)=O)c([O-])c1C ZINC000048401062 398110261 /nfs/dbraw/zinc/11/02/61/398110261.db2.gz UBILHSILOCTHEM-QMMMGPOBSA-N -1 3 236.271 0.613 20 0 BCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000068962134 398127726 /nfs/dbraw/zinc/12/77/26/398127726.db2.gz OGGKNJNCCZUCDD-UHFFFAOYSA-N -1 3 243.270 0.893 20 0 BCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000068962134 398127729 /nfs/dbraw/zinc/12/77/29/398127729.db2.gz OGGKNJNCCZUCDD-UHFFFAOYSA-N -1 3 243.270 0.893 20 0 BCADHM CN(C)C(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000042163613 172366679 /nfs/dbraw/zinc/36/66/79/172366679.db2.gz HMFZCHXSGHPXOG-QMMMGPOBSA-N -1 3 214.265 0.014 20 0 BCADHM CCc1cc([N-]C(=O)c2ncn(C)n2)no1 ZINC000685752721 487576205 /nfs/dbraw/zinc/57/62/05/487576205.db2.gz JHXSMFMEEABRKV-UHFFFAOYSA-N -1 3 221.220 0.618 20 0 BCADHM Cn1[n-]c(CN2CCC[C@@H]2C2CC2)nc1=O ZINC000680372727 487577666 /nfs/dbraw/zinc/57/76/66/487577666.db2.gz LSTJDEKNGOWRIE-SECBINFHSA-N -1 3 222.292 0.483 20 0 BCADHM CC(C)OCCN1CCN(CC(=O)[O-])CC1 ZINC000049260735 167231445 /nfs/dbraw/zinc/23/14/45/167231445.db2.gz WEANJGSSNFSABP-UHFFFAOYSA-N -1 3 230.308 0.114 20 0 BCADHM CC(C)SCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000336700563 167332315 /nfs/dbraw/zinc/33/23/15/167332315.db2.gz PNQWWYQSDRYLBP-UHFFFAOYSA-N -1 3 249.361 0.830 20 0 BCADHM C[C@@H]1C[C@H](N(C)Cc2n[n-]c(=O)o2)CCO1 ZINC000660844689 409844678 /nfs/dbraw/zinc/84/46/78/409844678.db2.gz STBCXIPEVXZCOW-HTQZYQBOSA-N -1 3 227.264 0.775 20 0 BCADHM C[C@H]1CN(C(=O)Cc2cncc([O-])c2)C[C@H]1O ZINC000655393793 410198332 /nfs/dbraw/zinc/19/83/32/410198332.db2.gz WPXILKMKIJYURZ-GZMMTYOYSA-N -1 3 236.271 0.169 20 0 BCADHM CC1(F)CN(C(=O)Cc2cncc([O-])c2)C1 ZINC000655394598 410198362 /nfs/dbraw/zinc/19/83/62/410198362.db2.gz BZMXDCOPQOIDPY-UHFFFAOYSA-N -1 3 224.235 0.900 20 0 BCADHM C[C@@H](CCO)N(C)C(=O)Cc1cncc([O-])c1 ZINC000655407201 410210184 /nfs/dbraw/zinc/21/01/84/410210184.db2.gz KOBGPFZVVQJFIB-VIFPVBQESA-N -1 3 238.287 0.559 20 0 BCADHM Cn1c(=O)[n-]nc1SC[C@@H]1COCCO1 ZINC000663949520 410399789 /nfs/dbraw/zinc/39/97/89/410399789.db2.gz RWQPDJBMGRSSFF-LURJTMIESA-N -1 3 231.277 0.028 20 0 BCADHM CNCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000650787523 410433459 /nfs/dbraw/zinc/43/34/59/410433459.db2.gz VXQLULOTZBQRTD-QMMMGPOBSA-N -1 3 230.308 0.602 20 0 BCADHM CC(C)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000035148954 167055838 /nfs/dbraw/zinc/05/58/38/167055838.db2.gz RQUICUPACCTDRG-UHFFFAOYSA-N -1 3 236.271 0.647 20 0 BCADHM CC(C)OCCn1cc(Cl)c(=O)[n-]c1=O ZINC000091329800 167253948 /nfs/dbraw/zinc/25/39/48/167253948.db2.gz MNRRLOPJORCJHN-UHFFFAOYSA-N -1 3 232.667 0.615 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)C1=CCC1 ZINC000594018933 411144490 /nfs/dbraw/zinc/14/44/90/411144490.db2.gz YRAKBDKAEYPLEF-UHFFFAOYSA-N -1 3 221.216 0.855 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)C1=CCC1 ZINC000594018933 411144491 /nfs/dbraw/zinc/14/44/91/411144491.db2.gz YRAKBDKAEYPLEF-UHFFFAOYSA-N -1 3 221.216 0.855 20 0 BCADHM O=C(CNC(=O)C1CC1)Nc1ncccc1[O-] ZINC000047470489 411122230 /nfs/dbraw/zinc/12/22/30/411122230.db2.gz WIRFOIIUSZXKNL-UHFFFAOYSA-N -1 3 235.243 0.252 20 0 BCADHM Cc1cc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)ccc1[O-] ZINC000652792833 411180876 /nfs/dbraw/zinc/18/08/76/411180876.db2.gz NLUMTGXQIWVEGD-AOOOYVTPSA-N -1 3 248.282 0.694 20 0 BCADHM CC1(C)C[C@@H]1CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000546182985 411248224 /nfs/dbraw/zinc/24/82/24/411248224.db2.gz WQZZZEHXJDUJED-ZCFIWIBFSA-N -1 3 232.291 0.767 20 0 BCADHM C[C@@H](O)C1([N-]S(=O)(=O)c2ccccn2)CC1 ZINC000660046863 411191555 /nfs/dbraw/zinc/19/15/55/411191555.db2.gz NIJVVYIHLVRPPM-MRVPVSSYSA-N -1 3 242.300 0.273 20 0 BCADHM CO[C@](C)(CO)C[N-]c1nnc(C(F)F)o1 ZINC000656208092 411209350 /nfs/dbraw/zinc/20/93/50/411209350.db2.gz KZUCIQBXUSHAII-QMMMGPOBSA-N -1 3 237.206 0.817 20 0 BCADHM Cn1ncc2c1nc(CN1CCCC1)[n-]c2=O ZINC000048871315 411219175 /nfs/dbraw/zinc/21/91/75/411219175.db2.gz BSNOZAWFTWAGKW-UHFFFAOYSA-N -1 3 233.275 0.665 20 0 BCADHM CCc1cc(NC(=O)c2cnn[n-]2)n[nH]1 ZINC000049139487 411226596 /nfs/dbraw/zinc/22/65/96/411226596.db2.gz WCSKLAFHMASKOL-UHFFFAOYSA-N -1 3 206.209 0.343 20 0 BCADHM CCc1cc(NC(=O)c2c[n-]nn2)n[nH]1 ZINC000049139487 411226600 /nfs/dbraw/zinc/22/66/00/411226600.db2.gz WCSKLAFHMASKOL-UHFFFAOYSA-N -1 3 206.209 0.343 20 0 BCADHM CCc1cc(NC(=O)c2cn[n-]n2)n[nH]1 ZINC000049139487 411226605 /nfs/dbraw/zinc/22/66/05/411226605.db2.gz WCSKLAFHMASKOL-UHFFFAOYSA-N -1 3 206.209 0.343 20 0 BCADHM CC(C)(NC(=O)c1c[n-]nn1)c1ncc[nH]1 ZINC000652410652 411232329 /nfs/dbraw/zinc/23/23/29/411232329.db2.gz MCXRJUQYFDIROT-UHFFFAOYSA-N -1 3 220.236 0.193 20 0 BCADHM CC(C)(NC(=O)c1cn[n-]n1)c1ncc[nH]1 ZINC000652410652 411232332 /nfs/dbraw/zinc/23/23/32/411232332.db2.gz MCXRJUQYFDIROT-UHFFFAOYSA-N -1 3 220.236 0.193 20 0 BCADHM CC(C)(NC(=O)c1cnn[n-]1)c1ncc[nH]1 ZINC000652410652 411232335 /nfs/dbraw/zinc/23/23/35/411232335.db2.gz MCXRJUQYFDIROT-UHFFFAOYSA-N -1 3 220.236 0.193 20 0 BCADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CC(=O)N1 ZINC000612629920 411263428 /nfs/dbraw/zinc/26/34/28/411263428.db2.gz BRHIPBLPAXLWAN-MRVPVSSYSA-N -1 3 238.218 0.036 20 0 BCADHM O=C(Nc1nnc2ccccn21)c1nc[n-]n1 ZINC000358454776 411310885 /nfs/dbraw/zinc/31/08/85/411310885.db2.gz OPGOINFYBSRSHD-UHFFFAOYSA-N -1 3 229.203 0.100 20 0 BCADHM Cc1c(=O)[n-]cnc1NC[C@]1(O)CCCOC1 ZINC000656700511 411325336 /nfs/dbraw/zinc/32/53/36/411325336.db2.gz PMTWEJVSMOWLPD-LLVKDONJSA-N -1 3 239.275 0.444 20 0 BCADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1c[n-]nn1 ZINC000403327126 411341785 /nfs/dbraw/zinc/34/17/85/411341785.db2.gz OVERGWFHPISQLS-BIIVOSGPSA-N -1 3 206.249 0.723 20 0 BCADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cnn[n-]1 ZINC000403327126 411341786 /nfs/dbraw/zinc/34/17/86/411341786.db2.gz OVERGWFHPISQLS-BIIVOSGPSA-N -1 3 206.249 0.723 20 0 BCADHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cn[n-]n1 ZINC000403327126 411341787 /nfs/dbraw/zinc/34/17/87/411341787.db2.gz OVERGWFHPISQLS-BIIVOSGPSA-N -1 3 206.249 0.723 20 0 BCADHM CC1(C)[C@@H](O)CCN1C(=O)c1csc(=O)[n-]1 ZINC000330316459 167998990 /nfs/dbraw/zinc/99/89/90/167998990.db2.gz PYKBRZGLUTUZPK-ZETCQYMHSA-N -1 3 242.300 0.834 20 0 BCADHM CC1(C)[C@@H](O)C[C@@H]1Nc1nc2nncc-2c(O)[n-]1 ZINC000275055158 168002269 /nfs/dbraw/zinc/00/22/69/168002269.db2.gz UPEKIQULSJPHJY-BQBZGAKWSA-N -1 3 249.274 0.630 20 0 BCADHM O=C([O-])CN1CC[C@@H](N2CCCCCC2)C1=O ZINC000662201908 411377018 /nfs/dbraw/zinc/37/70/18/411377018.db2.gz VOMVEZZHGIZITN-SNVBAGLBSA-N -1 3 240.303 0.548 20 0 BCADHM C[C@@H](CCO)N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000652966640 411376431 /nfs/dbraw/zinc/37/64/31/411376431.db2.gz YVCRMBBPUCVAPX-QMMMGPOBSA-N -1 3 248.286 0.801 20 0 BCADHM CCC(=O)CNC(=O)c1ccc2n[n-]nc2c1 ZINC000274490395 168207048 /nfs/dbraw/zinc/20/70/48/168207048.db2.gz JZOLKCQCWGGPBK-UHFFFAOYSA-N -1 3 232.243 0.667 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)c1ccc(C)o1 ZINC000331187596 168208284 /nfs/dbraw/zinc/20/82/84/168208284.db2.gz UJBOMCHQZSVCGE-UHFFFAOYSA-N -1 3 231.273 0.845 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000330943481 168209039 /nfs/dbraw/zinc/20/90/39/168209039.db2.gz DMGBNIRTPLAGOB-JTQLQIEISA-N -1 3 249.332 0.454 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000331168005 168209229 /nfs/dbraw/zinc/20/92/29/168209229.db2.gz NBNYWFZGDWMTNS-UHFFFAOYSA-N -1 3 245.304 0.160 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1c[n-]nn1 ZINC000654404619 411390210 /nfs/dbraw/zinc/39/02/10/411390210.db2.gz PHAKAMZOJLLPHU-YUMQZZPRSA-N -1 3 206.249 0.581 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cnn[n-]1 ZINC000654404619 411390211 /nfs/dbraw/zinc/39/02/11/411390211.db2.gz PHAKAMZOJLLPHU-YUMQZZPRSA-N -1 3 206.249 0.581 20 0 BCADHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cn[n-]n1 ZINC000654404619 411390213 /nfs/dbraw/zinc/39/02/13/411390213.db2.gz PHAKAMZOJLLPHU-YUMQZZPRSA-N -1 3 206.249 0.581 20 0 BCADHM CCC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)[O-])C1 ZINC000309694888 168236993 /nfs/dbraw/zinc/23/69/93/168236993.db2.gz QXUUGAUKODTSFB-DTWKUNHWSA-N -1 3 228.292 0.450 20 0 BCADHM CCC(=O)N[C@@H]1CCCN([C@H](C)C(=O)[O-])C1 ZINC000309694891 168237828 /nfs/dbraw/zinc/23/78/28/168237828.db2.gz QXUUGAUKODTSFB-RKDXNWHRSA-N -1 3 228.292 0.450 20 0 BCADHM CCC(=O)N[C@H]1CCCN([C@@H](C)C(=O)[O-])C1 ZINC000309694890 168239867 /nfs/dbraw/zinc/23/98/67/168239867.db2.gz QXUUGAUKODTSFB-IUCAKERBSA-N -1 3 228.292 0.450 20 0 BCADHM CCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000291491664 168242272 /nfs/dbraw/zinc/24/22/72/168242272.db2.gz GWVAPZYFEKYOHV-UHFFFAOYSA-N -1 3 249.270 0.931 20 0 BCADHM CCC(=O)Nc1nnc(SCCO)[n-]1 ZINC000120689130 168248140 /nfs/dbraw/zinc/24/81/40/168248140.db2.gz XXFWCISKWHJLPU-UHFFFAOYSA-N -1 3 216.266 0.238 20 0 BCADHM CCC(=O)Nc1nc(SCCO)n[n-]1 ZINC000120689130 168248143 /nfs/dbraw/zinc/24/81/43/168248143.db2.gz XXFWCISKWHJLPU-UHFFFAOYSA-N -1 3 216.266 0.238 20 0 BCADHM COC[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000125557474 411384579 /nfs/dbraw/zinc/38/45/79/411384579.db2.gz CHXUXVUCJNEYDS-ZETCQYMHSA-N -1 3 225.244 0.863 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)n1 ZINC000657052000 411397205 /nfs/dbraw/zinc/39/72/05/411397205.db2.gz YOZAIFCOQATRET-PSASIEDQSA-N -1 3 241.316 0.641 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C/C=C\CO)o1 ZINC000657086116 411404355 /nfs/dbraw/zinc/40/43/55/411404355.db2.gz YNMNTQMMRBMYST-IHWYPQMZSA-N -1 3 231.273 0.415 20 0 BCADHM C[C@@]1(C(=O)[O-])CCCN1C[C@H](O)C(F)(F)F ZINC000070618055 411431478 /nfs/dbraw/zinc/43/14/78/411431478.db2.gz QIWZOCYRQKQCCF-XPUUQOCRSA-N -1 3 241.209 0.849 20 0 BCADHM CCN(CC)CC(=O)NCC1(C(=O)[O-])CCC1 ZINC000659785470 411453913 /nfs/dbraw/zinc/45/39/13/411453913.db2.gz SFDJWQYELBOSHL-UHFFFAOYSA-N -1 3 242.319 0.699 20 0 BCADHM C[C@H](CC(=O)Nc1ncccc1[O-])NC(N)=O ZINC000654995575 411472860 /nfs/dbraw/zinc/47/28/60/411472860.db2.gz XUTVVDJHJNUWNT-ZCFIWIBFSA-N -1 3 238.247 0.173 20 0 BCADHM C[C@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000655561299 411511352 /nfs/dbraw/zinc/51/13/52/411511352.db2.gz YXWSVXUAIIATJX-UTLUCORTSA-N -1 3 242.319 0.696 20 0 BCADHM C[C@H](O)C1([N-]S(=O)(=O)c2ccco2)CC1 ZINC000660045922 411530733 /nfs/dbraw/zinc/53/07/33/411530733.db2.gz CDYIPBFQGDASDY-ZETCQYMHSA-N -1 3 231.273 0.471 20 0 BCADHM CCN1C[C@H](NC(=O)c2ccccc2[O-])CC1=O ZINC000336234782 170040506 /nfs/dbraw/zinc/04/05/06/170040506.db2.gz HDHMZVZAPOTYFH-SECBINFHSA-N -1 3 248.282 0.743 20 0 BCADHM CCN1C[C@H](NC(=O)c2cccc([O-])c2)CC1=O ZINC000336234975 170040912 /nfs/dbraw/zinc/04/09/12/170040912.db2.gz UAZZEPKCXAUEAC-SNVBAGLBSA-N -1 3 248.282 0.743 20 0 BCADHM CCNC(=O)[C@H](C)NCc1nc(C)ccc1[O-] ZINC000112716380 170094798 /nfs/dbraw/zinc/09/47/98/170094798.db2.gz MVIRUZXLANXLMQ-VIFPVBQESA-N -1 3 237.303 0.710 20 0 BCADHM CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000175786763 170136102 /nfs/dbraw/zinc/13/61/02/170136102.db2.gz RBGPPLKAMAVWPB-UHFFFAOYSA-N -1 3 247.272 0.673 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)C[C@@H](C)CC ZINC000117921169 170226441 /nfs/dbraw/zinc/22/64/41/170226441.db2.gz VZPMNRBNUIHSMH-QMMMGPOBSA-N -1 3 237.321 0.515 20 0 BCADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000095883489 170298010 /nfs/dbraw/zinc/29/80/10/170298010.db2.gz ZOOPYGJOZHPDPD-UHFFFAOYSA-N -1 3 244.272 0.166 20 0 BCADHM CCOCC(=O)[N-]c1nncn1C1CC1 ZINC000331785488 170349935 /nfs/dbraw/zinc/34/99/35/170349935.db2.gz QVHFVFKQMZKZKF-UHFFFAOYSA-N -1 3 210.237 0.588 20 0 BCADHM CCO[C@@H](C)C(=O)[N-]c1nncn1CC ZINC000285570992 170475469 /nfs/dbraw/zinc/47/54/69/170475469.db2.gz AIWUMDVVUGCNFI-ZETCQYMHSA-N -1 3 212.253 0.662 20 0 BCADHM Cc1cc(NCCCc2c[n-][nH]c2=O)ncn1 ZINC000631361449 411648295 /nfs/dbraw/zinc/64/82/95/411648295.db2.gz MFLYHEUDHAFUGW-SECBINFHSA-N -1 3 233.275 0.709 20 0 BCADHM Cc1cc(NCc2cnc(C)[n-]c2=O)ncn1 ZINC000343610499 411654338 /nfs/dbraw/zinc/65/43/38/411654338.db2.gz XSXRKRLXRONXDU-UHFFFAOYSA-N -1 3 231.259 1.201 20 0 BCADHM Cc1cc(NCc2ncccc2[O-])ncn1 ZINC000336730047 411655055 /nfs/dbraw/zinc/65/50/55/411655055.db2.gz IBURUQBCSPKZPL-UHFFFAOYSA-N -1 3 216.244 1.498 20 0 BCADHM CO[C@@H]1COC[C@@H]1[N-]c1nnc(C(C)C)o1 ZINC000578725283 411671849 /nfs/dbraw/zinc/67/18/49/411671849.db2.gz OUBYMGIPBFKMQZ-JGVFFNPUSA-N -1 3 227.264 1.019 20 0 BCADHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC23CC3)n[n-]1 ZINC000591531130 411684243 /nfs/dbraw/zinc/68/42/43/411684243.db2.gz DEGUQVQKELJTIF-ZETCQYMHSA-N -1 3 249.270 1.325 20 0 BCADHM CCOC(=O)c1cc(NC(=O)[C@@H]2CC23CC3)[n-]n1 ZINC000591531130 411684248 /nfs/dbraw/zinc/68/42/48/411684248.db2.gz DEGUQVQKELJTIF-ZETCQYMHSA-N -1 3 249.270 1.325 20 0 BCADHM CCOC(=O)c1cc(NC(=O)[C@H]2CC23CC3)n[n-]1 ZINC000591531129 411686130 /nfs/dbraw/zinc/68/61/30/411686130.db2.gz DEGUQVQKELJTIF-SSDOTTSWSA-N -1 3 249.270 1.325 20 0 BCADHM CCOC(=O)c1cc(NC(=O)[C@H]2CC23CC3)[n-]n1 ZINC000591531129 411686133 /nfs/dbraw/zinc/68/61/33/411686133.db2.gz DEGUQVQKELJTIF-SSDOTTSWSA-N -1 3 249.270 1.325 20 0 BCADHM Cc1cnc(NCCCc2c[n-][nH]c2=O)nc1 ZINC000631362216 411738753 /nfs/dbraw/zinc/73/87/53/411738753.db2.gz QLWPIHYBTOPHDP-VIFPVBQESA-N -1 3 233.275 0.709 20 0 BCADHM Cc1nc(C(=O)[N-]c2ncn(C)n2)sc1C ZINC000647080306 411757966 /nfs/dbraw/zinc/75/79/66/411757966.db2.gz QDQNPURPDVHELE-UHFFFAOYSA-N -1 3 237.288 1.141 20 0 BCADHM O=c1[n-]nc(C2CCN(c3cnccn3)CC2)o1 ZINC000663876590 411766493 /nfs/dbraw/zinc/76/64/93/411766493.db2.gz IAQNIRVLIPWZPN-UHFFFAOYSA-N -1 3 247.258 0.949 20 0 BCADHM COc1nn(C)cc1[N-]c1nccn2nnnc12 ZINC000530437171 411780276 /nfs/dbraw/zinc/78/02/76/411780276.db2.gz XLCVYLKUHNVAPO-UHFFFAOYSA-N -1 3 246.234 0.005 20 0 BCADHM Cc1nnc(NCCCc2c[n-][nH]c2=O)nc1C ZINC000631361947 411802092 /nfs/dbraw/zinc/80/20/92/411802092.db2.gz ONUVARVJUUCRKU-VIFPVBQESA-N -1 3 248.290 0.412 20 0 BCADHM Cc1nnc(NCc2ncccc2[O-])nc1C ZINC000359871449 411803379 /nfs/dbraw/zinc/80/33/79/411803379.db2.gz GZXITEFVNBLPFO-UHFFFAOYSA-N -1 3 231.259 1.201 20 0 BCADHM Cn1[n-]c(CN2CCC[C@@H](CCF)C2)nc1=O ZINC000661690258 411839941 /nfs/dbraw/zinc/83/99/41/411839941.db2.gz KUEVTMPQKRVTNJ-VIFPVBQESA-N -1 3 242.298 0.680 20 0 BCADHM Cn1ccc(NC(=O)NCc2ncccc2[O-])n1 ZINC000348788085 411843501 /nfs/dbraw/zinc/84/35/01/411843501.db2.gz VSZLAZLSHJXYBC-UHFFFAOYSA-N -1 3 247.258 0.842 20 0 BCADHM CC(C)(C)CCN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354499498 411859956 /nfs/dbraw/zinc/85/99/56/411859956.db2.gz CFTSOXZGXVYVAI-UHFFFAOYSA-N -1 3 234.307 1.157 20 0 BCADHM CC1(CN=c2nc3[nH][n-]cc-3c(N)n2)CCC1 ZINC000565392317 411890602 /nfs/dbraw/zinc/89/06/02/411890602.db2.gz FJCUXOOURIFPAC-UHFFFAOYSA-N -1 3 232.291 0.911 20 0 BCADHM CCC(CC)N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000336655511 411896305 /nfs/dbraw/zinc/89/63/05/411896305.db2.gz HMUGBALPABGXAJ-UHFFFAOYSA-N -1 3 220.280 0.909 20 0 BCADHM C[C@@H]1CC[C@H](CN=c2nc3[nH][n-]cc-3c(N)n2)O1 ZINC000583130805 411906398 /nfs/dbraw/zinc/90/63/98/411906398.db2.gz DONRKZSHQAWCSA-RNFRBKRXSA-N -1 3 248.290 0.288 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCc2nnc(N)o2)c1 ZINC000352126368 411915466 /nfs/dbraw/zinc/91/54/66/411915466.db2.gz SELBCWVUWCCQAN-UHFFFAOYSA-N -1 3 248.242 0.596 20 0 BCADHM C[C@H](F)CCN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000338747522 411919265 /nfs/dbraw/zinc/91/92/65/411919265.db2.gz CYBBYCCLBSNKKC-YFKPBYRVSA-N -1 3 224.243 0.469 20 0 BCADHM Nc1nc(=NC[C@@H]2CCCCO2)nc2[nH][n-]cc1-2 ZINC000546898988 411924038 /nfs/dbraw/zinc/92/40/38/411924038.db2.gz HBQMYVFHMQBERR-ZETCQYMHSA-N -1 3 248.290 0.290 20 0 BCADHM Nc1nc(=NCC[C@H]2CCOC2)nc2[nH][n-]cc1-2 ZINC000544847598 411925298 /nfs/dbraw/zinc/92/52/98/411925298.db2.gz LXEFXFAADKMEPP-ZETCQYMHSA-N -1 3 248.290 0.147 20 0 BCADHM CC[C@@H](CO)NC(=O)c1cccc(OC)c1[O-] ZINC000035102802 170839348 /nfs/dbraw/zinc/83/93/48/170839348.db2.gz XUVXQGUKBRUGID-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM CC1(C)C[C@@H](N=c2ncnc3[nH][n-]cc2-3)CO1 ZINC000664146194 411870792 /nfs/dbraw/zinc/87/07/92/411870792.db2.gz ZEYWZAOSXNDIDM-SSDOTTSWSA-N -1 3 233.275 0.706 20 0 BCADHM CC[C@@H](C)[C@@H](C)N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354596455 411877946 /nfs/dbraw/zinc/87/79/46/411877946.db2.gz OJGCQOYZRYDYFY-RNFRBKRXSA-N -1 3 234.307 1.155 20 0 BCADHM CC(C)[C@@H]1C[C@H]1CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000582527683 411878420 /nfs/dbraw/zinc/87/84/20/411878420.db2.gz FXNHIMXVFSAYND-YUMQZZPRSA-N -1 3 246.318 1.013 20 0 BCADHM CCc1cc(=O)[n-]c(CN2CCC3(COC3)C2)n1 ZINC000662074235 411977819 /nfs/dbraw/zinc/97/78/19/411977819.db2.gz UCPLRHHWTWOOIJ-UHFFFAOYSA-N -1 3 249.314 0.967 20 0 BCADHM C[C@@H](O)[C@H]1CCCN1c1nc2nncc-2c(O)[n-]1 ZINC000664440388 411959623 /nfs/dbraw/zinc/95/96/23/411959623.db2.gz VIXBMHBUZQCSRD-HTRCEHHLSA-N -1 3 249.274 0.408 20 0 BCADHM C[C@@H]1CC[C@H](C)N1[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662203431 412024215 /nfs/dbraw/zinc/02/42/15/412024215.db2.gz DQRNZIFQPMNLBS-AEJSXWLSSA-N -1 3 240.303 0.545 20 0 BCADHM CC(C)CCN(C)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662201627 412024322 /nfs/dbraw/zinc/02/43/22/412024322.db2.gz JNGGDHRJNPDVSY-SNVBAGLBSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@@H](C)CN(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662206459 412026414 /nfs/dbraw/zinc/02/64/14/412026414.db2.gz PWLWDRCDGHMDCP-ZJUUUORDSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@@H]1CN(C(=O)c2csc(=O)[n-]2)C[C@@H]1O ZINC000329981315 171074072 /nfs/dbraw/zinc/07/40/72/171074072.db2.gz NACFHUPVRVRKES-SVRRBLITSA-N -1 3 242.300 0.692 20 0 BCADHM CC[C@H](C(=O)NCc1ncccc1[O-])N(C)C ZINC000352518561 171230737 /nfs/dbraw/zinc/23/07/37/171230737.db2.gz YGEROIGNYGDZMN-SNVBAGLBSA-N -1 3 237.303 0.744 20 0 BCADHM CC[C@H](C)NC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000042706252 171331440 /nfs/dbraw/zinc/33/14/40/171331440.db2.gz LPXCJUSUABADNL-KXUCPTDWSA-N -1 3 244.335 0.942 20 0 BCADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1n[n-]c(OC)n1 ZINC000356592738 171381292 /nfs/dbraw/zinc/38/12/92/171381292.db2.gz HGUXBERVTVKVSH-NKWVEPMBSA-N -1 3 242.279 0.813 20 0 BCADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1nnc(OC)[n-]1 ZINC000356592738 171381293 /nfs/dbraw/zinc/38/12/93/171381293.db2.gz HGUXBERVTVKVSH-NKWVEPMBSA-N -1 3 242.279 0.813 20 0 BCADHM CC[C@H](C)[C@@H](OC)C(=O)Nc1nc(OC)n[n-]1 ZINC000356592738 171381294 /nfs/dbraw/zinc/38/12/94/171381294.db2.gz HGUXBERVTVKVSH-NKWVEPMBSA-N -1 3 242.279 0.813 20 0 BCADHM Cc1ccc(NC(=O)[C@H]2CC(=O)N2)c([O-])c1 ZINC000665202769 412136282 /nfs/dbraw/zinc/13/62/82/412136282.db2.gz OBTYGEJDLZSIQL-MRVPVSSYSA-N -1 3 220.228 0.528 20 0 BCADHM CC(C)(C)n1nnc(C(=O)[N-]c2cnccn2)n1 ZINC000622774689 412254314 /nfs/dbraw/zinc/25/43/14/412254314.db2.gz QQZPHHQJTQRVPJ-UHFFFAOYSA-N -1 3 247.262 0.470 20 0 BCADHM C[C@H]([N-]c1nnc(C2CC2)o1)c1ncnn1C ZINC000343227092 412249946 /nfs/dbraw/zinc/24/99/46/412249946.db2.gz NDGLLFLZNRPVPR-LURJTMIESA-N -1 3 234.263 1.249 20 0 BCADHM CC(C)c1n[n-]c(CNc2nccn(C)c2=O)n1 ZINC000621322474 412322289 /nfs/dbraw/zinc/32/22/89/412322289.db2.gz XBFHGJTWUQCRMK-UHFFFAOYSA-N -1 3 248.290 0.634 20 0 BCADHM CC(C)c1nnc([N-][C@@H]2COC[C@@H]2O)o1 ZINC000631430257 412323885 /nfs/dbraw/zinc/32/38/85/412323885.db2.gz CCQZNGQQZJNBAY-RQJHMYQMSA-N -1 3 213.237 0.365 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1ncc(F)cn1 ZINC000532619360 412334144 /nfs/dbraw/zinc/33/41/44/412334144.db2.gz CSCOYEOACQVWMW-MRVPVSSYSA-N -1 3 237.238 0.540 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1ccnc(C)n1 ZINC000525705644 412334187 /nfs/dbraw/zinc/33/41/87/412334187.db2.gz FBWPZLYVCZXYJA-VIFPVBQESA-N -1 3 233.275 0.709 20 0 BCADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@H](O)C1CC1 ZINC000615133712 412343704 /nfs/dbraw/zinc/34/37/04/412343704.db2.gz MXRDMZPYRIOJOD-SNVBAGLBSA-N -1 3 247.254 0.978 20 0 BCADHM C[C@H](CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)N(C)C ZINC000663102862 412384060 /nfs/dbraw/zinc/38/40/60/412384060.db2.gz SZACDQAPNXCJCK-PRHODGIISA-N -1 3 242.319 0.554 20 0 BCADHM C[C@@H](CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)N(C)C ZINC000663102864 412384347 /nfs/dbraw/zinc/38/43/47/412384347.db2.gz SZACDQAPNXCJCK-QPUJVOFHSA-N -1 3 242.319 0.554 20 0 BCADHM CCc1n[n-]c(S(=O)(=O)CCCOC)n1 ZINC000267904827 172061602 /nfs/dbraw/zinc/06/16/02/172061602.db2.gz IEZPKJXDTIHMJM-UHFFFAOYSA-N -1 3 233.293 0.177 20 0 BCADHM CCc1nnc(S(=O)(=O)CCCOC)[n-]1 ZINC000267904827 172061604 /nfs/dbraw/zinc/06/16/04/172061604.db2.gz IEZPKJXDTIHMJM-UHFFFAOYSA-N -1 3 233.293 0.177 20 0 BCADHM CCc1noc(CC)c1CNC(=O)c1c[n-]nn1 ZINC000128683832 172083245 /nfs/dbraw/zinc/08/32/45/172083245.db2.gz KBANBVFLKZRJJM-UHFFFAOYSA-N -1 3 249.274 0.848 20 0 BCADHM CCc1noc(CC)c1CNC(=O)c1cnn[n-]1 ZINC000128683832 172083247 /nfs/dbraw/zinc/08/32/47/172083247.db2.gz KBANBVFLKZRJJM-UHFFFAOYSA-N -1 3 249.274 0.848 20 0 BCADHM CCc1noc(CC)c1CNC(=O)c1cn[n-]n1 ZINC000128683832 172083249 /nfs/dbraw/zinc/08/32/49/172083249.db2.gz KBANBVFLKZRJJM-UHFFFAOYSA-N -1 3 249.274 0.848 20 0 BCADHM CCc1noc([N-]Cc2cnnn2C)n1 ZINC000292802502 172089254 /nfs/dbraw/zinc/08/92/54/172089254.db2.gz RHHMMZIWCGGQDH-UHFFFAOYSA-N -1 3 208.225 0.373 20 0 BCADHM CCn1c(=O)[n-]nc1SCc1nnc(C)o1 ZINC000330451126 172145789 /nfs/dbraw/zinc/14/57/89/172145789.db2.gz JOGBYJPBHPLIJO-UHFFFAOYSA-N -1 3 241.276 0.987 20 0 BCADHM CCn1cnnc1[N-]C(=O)COC(F)F ZINC000356187056 172238273 /nfs/dbraw/zinc/23/82/73/172238273.db2.gz RRYGPJVOZQREDF-UHFFFAOYSA-N -1 3 220.179 0.476 20 0 BCADHM CCn1cnnc1[N-]C(=O)C(C)(C)OC ZINC000285605711 172238678 /nfs/dbraw/zinc/23/86/78/172238678.db2.gz BVPVSORURNSVCV-UHFFFAOYSA-N -1 3 212.253 0.662 20 0 BCADHM CCn1ncc(C(=O)[N-]c2nnc(C)s2)n1 ZINC000293942264 172253688 /nfs/dbraw/zinc/25/36/88/172253688.db2.gz ZWMGWOQMUJJIDH-UHFFFAOYSA-N -1 3 238.276 0.710 20 0 BCADHM CN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000042854322 172314321 /nfs/dbraw/zinc/31/43/21/172314321.db2.gz GCLWUAJSEUZSBE-VIFPVBQESA-N -1 3 247.254 0.248 20 0 BCADHM CN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000171450714 172341184 /nfs/dbraw/zinc/34/11/84/172341184.db2.gz RZMJIEXNNQNOMZ-UHFFFAOYSA-N -1 3 244.250 0.805 20 0 BCADHM CN(C)C(=O)C1(C(=O)Nc2ncccc2[O-])CC1 ZINC000331917682 172354685 /nfs/dbraw/zinc/35/46/85/172354685.db2.gz FCXDQDVFHGRYMK-UHFFFAOYSA-N -1 3 249.270 0.594 20 0 BCADHM CN1CCN(C(=O)c2ccccc2[O-])CC1=O ZINC000084204545 173074344 /nfs/dbraw/zinc/07/43/44/173074344.db2.gz DQQSPAVZBLPYIX-UHFFFAOYSA-N -1 3 234.255 0.306 20 0 BCADHM CN1CCN(CCCCC(=O)[O-])CC1 ZINC000020059325 173078850 /nfs/dbraw/zinc/07/88/50/173078850.db2.gz AROMGYXEPCNUQL-UHFFFAOYSA-N -1 3 200.282 0.489 20 0 BCADHM CN1CCN(Cc2n[nH]c(=O)[n-]2)C(C)(C)C1 ZINC000341130311 173091482 /nfs/dbraw/zinc/09/14/82/173091482.db2.gz RUFOZFNHCWUCNP-UHFFFAOYSA-N -1 3 225.296 0.036 20 0 BCADHM CN1CC[C@H](C(=O)Nc2ccncc2[O-])CC1=O ZINC000358357194 173142193 /nfs/dbraw/zinc/14/21/93/173142193.db2.gz QOMXOSONDWMYSD-QMMMGPOBSA-N -1 3 249.270 0.016 20 0 BCADHM CNC(=O)C1CN(C(=O)c2ccccc2[O-])C1 ZINC000186199313 173225594 /nfs/dbraw/zinc/22/55/94/173225594.db2.gz RUCTTZBKKHQJBX-UHFFFAOYSA-N -1 3 234.255 0.210 20 0 BCADHM CNC(=O)CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000185023426 173233434 /nfs/dbraw/zinc/23/34/34/173233434.db2.gz BXWNNIRSGZRTRQ-UHFFFAOYSA-N -1 3 249.230 0.139 20 0 BCADHM CNC(=O)CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000185023426 173233438 /nfs/dbraw/zinc/23/34/38/173233438.db2.gz BXWNNIRSGZRTRQ-UHFFFAOYSA-N -1 3 249.230 0.139 20 0 BCADHM CNC(=O)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000185023426 173233439 /nfs/dbraw/zinc/23/34/39/173233439.db2.gz BXWNNIRSGZRTRQ-UHFFFAOYSA-N -1 3 249.230 0.139 20 0 BCADHM CNC(=O)CN(C)C(=O)c1cccc([O-])c1 ZINC000037248122 173267871 /nfs/dbraw/zinc/26/78/71/173267871.db2.gz OPFRCHIWDCYKHX-UHFFFAOYSA-N -1 3 222.244 0.210 20 0 BCADHM CNC(=O)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000042350842 173302443 /nfs/dbraw/zinc/30/24/43/173302443.db2.gz UAZCRSOKVBEQTR-ZETCQYMHSA-N -1 3 222.244 0.257 20 0 BCADHM COC(=O)[C@@H]([N-]S(=O)(=O)C1CC1)C(C)C ZINC000080936149 173713522 /nfs/dbraw/zinc/71/35/22/173713522.db2.gz IXMNOMBGPIBILV-QMMMGPOBSA-N -1 3 235.305 0.266 20 0 BCADHM COC(=O)[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000232433117 173784402 /nfs/dbraw/zinc/78/44/02/173784402.db2.gz OCHXAESRVYFWHS-LURJTMIESA-N -1 3 239.227 0.389 20 0 BCADHM COC(C)(C)CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000361834724 173942601 /nfs/dbraw/zinc/94/26/01/173942601.db2.gz PUANPJMACIRUNY-UHFFFAOYSA-N -1 3 239.275 0.645 20 0 BCADHM COC1([C@H](C)NC(=O)c2c[n-]nn2)CCC1 ZINC000332022714 174010701 /nfs/dbraw/zinc/01/07/01/174010701.db2.gz TWOOFEJIPOZEFD-ZETCQYMHSA-N -1 3 224.264 0.492 20 0 BCADHM COC1([C@H](C)NC(=O)c2cnn[n-]2)CCC1 ZINC000332022714 174010703 /nfs/dbraw/zinc/01/07/03/174010703.db2.gz TWOOFEJIPOZEFD-ZETCQYMHSA-N -1 3 224.264 0.492 20 0 BCADHM COC1([C@H](C)NC(=O)c2cn[n-]n2)CCC1 ZINC000332022714 174010704 /nfs/dbraw/zinc/01/07/04/174010704.db2.gz TWOOFEJIPOZEFD-ZETCQYMHSA-N -1 3 224.264 0.492 20 0 BCADHM COCC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331109474 174052856 /nfs/dbraw/zinc/05/28/56/174052856.db2.gz IFTZBAIOEBKRFD-UHFFFAOYSA-N -1 3 238.169 0.086 20 0 BCADHM COCC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331109474 174052858 /nfs/dbraw/zinc/05/28/58/174052858.db2.gz IFTZBAIOEBKRFD-UHFFFAOYSA-N -1 3 238.169 0.086 20 0 BCADHM COCC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331109474 174052859 /nfs/dbraw/zinc/05/28/59/174052859.db2.gz IFTZBAIOEBKRFD-UHFFFAOYSA-N -1 3 238.169 0.086 20 0 BCADHM COCCC(C)(C)C(=O)Nc1nnc(OC)[n-]1 ZINC000184288434 174142442 /nfs/dbraw/zinc/14/24/42/174142442.db2.gz SLVOSXBTTHNLPQ-UHFFFAOYSA-N -1 3 242.279 0.815 20 0 BCADHM COCCC(C)(C)C(=O)Nc1n[n-]c(OC)n1 ZINC000184288434 174142444 /nfs/dbraw/zinc/14/24/44/174142444.db2.gz SLVOSXBTTHNLPQ-UHFFFAOYSA-N -1 3 242.279 0.815 20 0 BCADHM COCCC(C)(C)C(=O)Nc1nc(OC)n[n-]1 ZINC000184288434 174142445 /nfs/dbraw/zinc/14/24/45/174142445.db2.gz SLVOSXBTTHNLPQ-UHFFFAOYSA-N -1 3 242.279 0.815 20 0 BCADHM COCCCO[N-]C(=O)/C=C/c1ccnn1C ZINC000288152791 174254693 /nfs/dbraw/zinc/25/46/93/174254693.db2.gz NUFAMCHXFSTNEW-SNAWJCMRSA-N -1 3 239.275 0.518 20 0 BCADHM COCCCO[N-]C(=O)CCc1cncnc1 ZINC000294152701 174254831 /nfs/dbraw/zinc/25/48/31/174254831.db2.gz VMGNZEGVTKZAAS-UHFFFAOYSA-N -1 3 239.275 0.494 20 0 BCADHM COCCCO[N-]C(=O)Cc1c(C)noc1C ZINC000287935571 174255009 /nfs/dbraw/zinc/25/50/09/174255009.db2.gz VLYVELYUHUHBAM-UHFFFAOYSA-N -1 3 242.275 0.918 20 0 BCADHM COCCN(C)C(=O)c1c([O-])cccc1O ZINC000092119630 174273605 /nfs/dbraw/zinc/27/36/05/174273605.db2.gz ZUSMHNVWLMQSEU-UHFFFAOYSA-N -1 3 225.244 0.816 20 0 BCADHM COCCN(C)C(=O)c1ccc(O)cc1[O-] ZINC000226366749 174274309 /nfs/dbraw/zinc/27/43/09/174274309.db2.gz XYGOADIKGDQKBR-UHFFFAOYSA-N -1 3 225.244 0.816 20 0 BCADHM COCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000330651977 174336591 /nfs/dbraw/zinc/33/65/91/174336591.db2.gz KWCSCEVZEJOFGU-UHFFFAOYSA-N -1 3 219.262 0.513 20 0 BCADHM COCCOCCC(=O)Nc1ncccc1[O-] ZINC000049057337 174349091 /nfs/dbraw/zinc/34/90/91/174349091.db2.gz CGMNBTMGEJEHND-UHFFFAOYSA-N -1 3 240.259 0.779 20 0 BCADHM COCCOCC[N-]S(=O)(=O)c1ccco1 ZINC000188633684 174358370 /nfs/dbraw/zinc/35/83/70/174358370.db2.gz WIOPCKMHDAUBRP-UHFFFAOYSA-N -1 3 249.288 0.221 20 0 BCADHM COCCS(=O)(=O)[N-][C@@H](C)c1nc(C)no1 ZINC000330417385 174372921 /nfs/dbraw/zinc/37/29/21/174372921.db2.gz DUMTZMRSUNVWKB-LURJTMIESA-N -1 3 249.292 0.005 20 0 BCADHM COCCSc1nnc2[n-]c(=O)c(C)nn21 ZINC000114860789 174377688 /nfs/dbraw/zinc/37/76/88/174377688.db2.gz UISYOBLGBJVANM-UHFFFAOYSA-N -1 3 241.276 0.272 20 0 BCADHM COc1cc([C@H](C)NC(=O)c2c[n-]nn2)ccn1 ZINC000359917363 175015954 /nfs/dbraw/zinc/01/59/54/175015954.db2.gz SCSSSLIYRBFZSN-ZETCQYMHSA-N -1 3 247.258 0.699 20 0 BCADHM COc1cc([C@H](C)NC(=O)c2cnn[n-]2)ccn1 ZINC000359917363 175015956 /nfs/dbraw/zinc/01/59/56/175015956.db2.gz SCSSSLIYRBFZSN-ZETCQYMHSA-N -1 3 247.258 0.699 20 0 BCADHM COc1cc([C@H](C)NC(=O)c2cn[n-]n2)ccn1 ZINC000359917363 175015957 /nfs/dbraw/zinc/01/59/57/175015957.db2.gz SCSSSLIYRBFZSN-ZETCQYMHSA-N -1 3 247.258 0.699 20 0 BCADHM COc1ccc(C(=O)N(C)[C@@H](C)CO)c([O-])c1 ZINC000093244857 175055222 /nfs/dbraw/zinc/05/52/22/175055222.db2.gz CPLSCGALUYNTBN-QMMMGPOBSA-N -1 3 239.271 0.854 20 0 BCADHM COc1ccc(C(=O)NCCCCO)c([O-])c1 ZINC000193292917 175059067 /nfs/dbraw/zinc/05/90/67/175059067.db2.gz YQOUDQQJPGYYID-UHFFFAOYSA-N -1 3 239.271 0.903 20 0 BCADHM COc1ccc([O-])c(C(=O)N[C@H]2C[C@@H](O)C2)c1 ZINC000298098453 175157526 /nfs/dbraw/zinc/15/75/26/175157526.db2.gz BPAKMKVGSZPKPA-OCAPTIKFSA-N -1 3 237.255 0.654 20 0 BCADHM COc1ccc([O-])c(C(=O)N[C@@H](C)C(N)=O)c1 ZINC000052076811 175157566 /nfs/dbraw/zinc/15/75/66/175157566.db2.gz MWNQOVDAUFWCTO-LURJTMIESA-N -1 3 238.243 0.004 20 0 BCADHM COc1cccc(C(=O)N(C)[C@H](C)CO)c1[O-] ZINC000122506263 175242594 /nfs/dbraw/zinc/24/25/94/175242594.db2.gz BJUVTOBEODIWAW-MRVPVSSYSA-N -1 3 239.271 0.854 20 0 BCADHM COc1cccc(C(=O)N2CC(O)C2)c1[O-] ZINC000062808699 175243154 /nfs/dbraw/zinc/24/31/54/175243154.db2.gz GQWQOVAUKASLLG-UHFFFAOYSA-N -1 3 223.228 0.218 20 0 BCADHM COc1cccc(C(=O)NC[C@@H](C)CO)c1[O-] ZINC000086627285 175245486 /nfs/dbraw/zinc/24/54/86/175245486.db2.gz JCMDCSYLVWBWAE-MRVPVSSYSA-N -1 3 239.271 0.759 20 0 BCADHM COc1cccc(C(=O)N[C@H](C)C(N)=O)c1[O-] ZINC000035149296 175246536 /nfs/dbraw/zinc/24/65/36/175246536.db2.gz MACCMZAKTALAQU-ZCFIWIBFSA-N -1 3 238.243 0.004 20 0 BCADHM COc1cccc([C@H](C)NCc2nc(=O)[n-][nH]2)c1 ZINC000271606414 175293615 /nfs/dbraw/zinc/29/36/15/175293615.db2.gz AOOVMAOFYWSWLT-QMMMGPOBSA-N -1 3 248.286 0.957 20 0 BCADHM COc1nnc(NC(=O)c2c[nH]c(=O)cc2C)[n-]1 ZINC000352635852 175388482 /nfs/dbraw/zinc/38/84/82/175388482.db2.gz FCGIAZKCJQAMSO-UHFFFAOYSA-N -1 3 249.230 0.475 20 0 BCADHM COc1nc(NC(=O)c2c[nH]c(=O)cc2C)n[n-]1 ZINC000352635852 175388484 /nfs/dbraw/zinc/38/84/84/175388484.db2.gz FCGIAZKCJQAMSO-UHFFFAOYSA-N -1 3 249.230 0.475 20 0 BCADHM COc1n[n-]c(NC(=O)c2c[nH]c(=O)cc2C)n1 ZINC000352635852 175388486 /nfs/dbraw/zinc/38/84/86/175388486.db2.gz FCGIAZKCJQAMSO-UHFFFAOYSA-N -1 3 249.230 0.475 20 0 BCADHM COc1nnc(NC(=O)COC(C)C)[n-]1 ZINC000158194344 175393225 /nfs/dbraw/zinc/39/32/25/175393225.db2.gz OBNDTKJDNDTBQW-UHFFFAOYSA-N -1 3 214.225 0.177 20 0 BCADHM COc1nc(NC(=O)COC(C)C)n[n-]1 ZINC000158194344 175393227 /nfs/dbraw/zinc/39/32/27/175393227.db2.gz OBNDTKJDNDTBQW-UHFFFAOYSA-N -1 3 214.225 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)COC(C)C)n1 ZINC000158194344 175393229 /nfs/dbraw/zinc/39/32/29/175393229.db2.gz OBNDTKJDNDTBQW-UHFFFAOYSA-N -1 3 214.225 0.177 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCC(C)(C)O2)[n-]1 ZINC000279652807 175393674 /nfs/dbraw/zinc/39/36/74/175393674.db2.gz BPOFHPUAVJDKOB-LURJTMIESA-N -1 3 240.263 0.709 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCC(C)(C)O2)n[n-]1 ZINC000279652807 175393676 /nfs/dbraw/zinc/39/36/76/175393676.db2.gz BPOFHPUAVJDKOB-LURJTMIESA-N -1 3 240.263 0.709 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCC(C)(C)O2)n1 ZINC000279652807 175393678 /nfs/dbraw/zinc/39/36/78/175393678.db2.gz BPOFHPUAVJDKOB-LURJTMIESA-N -1 3 240.263 0.709 20 0 BCADHM COc1nnc(NC(=O)[C@]2(C)CCCO2)[n-]1 ZINC000129423556 175393881 /nfs/dbraw/zinc/39/38/81/175393881.db2.gz RCFJCFQKMWAXTD-VIFPVBQESA-N -1 3 226.236 0.321 20 0 BCADHM COc1nc(NC(=O)[C@]2(C)CCCO2)n[n-]1 ZINC000129423556 175393882 /nfs/dbraw/zinc/39/38/82/175393882.db2.gz RCFJCFQKMWAXTD-VIFPVBQESA-N -1 3 226.236 0.321 20 0 BCADHM COc1n[n-]c(NC(=O)[C@]2(C)CCCO2)n1 ZINC000129423556 175393883 /nfs/dbraw/zinc/39/38/83/175393883.db2.gz RCFJCFQKMWAXTD-VIFPVBQESA-N -1 3 226.236 0.321 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCO[C@H]2C)[n-]1 ZINC000129422375 175394360 /nfs/dbraw/zinc/39/43/60/175394360.db2.gz DQNZRKHFXFWWOA-NTSWFWBYSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCO[C@H]2C)n[n-]1 ZINC000129422375 175394361 /nfs/dbraw/zinc/39/43/61/175394361.db2.gz DQNZRKHFXFWWOA-NTSWFWBYSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCO[C@H]2C)n1 ZINC000129422375 175394362 /nfs/dbraw/zinc/39/43/62/175394362.db2.gz DQNZRKHFXFWWOA-NTSWFWBYSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)c2cc(C3CC3)on2)n[n-]1 ZINC000129417217 175394473 /nfs/dbraw/zinc/39/44/73/175394473.db2.gz WYRLHKLQGZBDAR-UHFFFAOYSA-N -1 3 249.230 0.931 20 0 BCADHM COc1nnc(NC(=O)[C@@H](C)SC)[n-]1 ZINC000179377346 175394738 /nfs/dbraw/zinc/39/47/38/175394738.db2.gz REUPEXCDWVMONT-SCSAIBSYSA-N -1 3 216.266 0.503 20 0 BCADHM COc1nc(NC(=O)[C@@H](C)SC)n[n-]1 ZINC000179377346 175394739 /nfs/dbraw/zinc/39/47/39/175394739.db2.gz REUPEXCDWVMONT-SCSAIBSYSA-N -1 3 216.266 0.503 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](C)SC)n1 ZINC000179377346 175394741 /nfs/dbraw/zinc/39/47/41/175394741.db2.gz REUPEXCDWVMONT-SCSAIBSYSA-N -1 3 216.266 0.503 20 0 BCADHM COc1nnc(NC(=O)CC[C@H]2CCOC2)[n-]1 ZINC000182982824 175395106 /nfs/dbraw/zinc/39/51/06/175395106.db2.gz DBIZYSRPLQEXOX-ZETCQYMHSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nc(NC(=O)CC[C@H]2CCOC2)n[n-]1 ZINC000182982824 175395107 /nfs/dbraw/zinc/39/51/07/175395107.db2.gz DBIZYSRPLQEXOX-ZETCQYMHSA-N -1 3 240.263 0.569 20 0 BCADHM COc1n[n-]c(NC(=O)CC[C@H]2CCOC2)n1 ZINC000182982824 175395109 /nfs/dbraw/zinc/39/51/09/175395109.db2.gz DBIZYSRPLQEXOX-ZETCQYMHSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nnc(NC(=O)c2oc(C)nc2C)[n-]1 ZINC000126763008 175395553 /nfs/dbraw/zinc/39/55/53/175395553.db2.gz AOZRMKYHVQODJL-UHFFFAOYSA-N -1 3 237.219 0.670 20 0 BCADHM COc1nc(NC(=O)c2oc(C)nc2C)n[n-]1 ZINC000126763008 175395554 /nfs/dbraw/zinc/39/55/54/175395554.db2.gz AOZRMKYHVQODJL-UHFFFAOYSA-N -1 3 237.219 0.670 20 0 BCADHM COc1n[n-]c(NC(=O)c2oc(C)nc2C)n1 ZINC000126763008 175395556 /nfs/dbraw/zinc/39/55/56/175395556.db2.gz AOZRMKYHVQODJL-UHFFFAOYSA-N -1 3 237.219 0.670 20 0 BCADHM COc1nnc(NC(=O)c2nc(C)oc2C)[n-]1 ZINC000294699370 175395581 /nfs/dbraw/zinc/39/55/81/175395581.db2.gz WBTFHSCGXYRXJH-UHFFFAOYSA-N -1 3 237.219 0.670 20 0 BCADHM COc1nc(NC(=O)c2nc(C)oc2C)n[n-]1 ZINC000294699370 175395583 /nfs/dbraw/zinc/39/55/83/175395583.db2.gz WBTFHSCGXYRXJH-UHFFFAOYSA-N -1 3 237.219 0.670 20 0 BCADHM COc1n[n-]c(NC(=O)c2nc(C)oc2C)n1 ZINC000294699370 175395585 /nfs/dbraw/zinc/39/55/85/175395585.db2.gz WBTFHSCGXYRXJH-UHFFFAOYSA-N -1 3 237.219 0.670 20 0 BCADHM COc1nnc(NC(=O)c2n[nH]c(C)c2C)[n-]1 ZINC000272604470 175395879 /nfs/dbraw/zinc/39/58/79/175395879.db2.gz YYUGDHTYHLRFHD-UHFFFAOYSA-N -1 3 236.235 0.406 20 0 BCADHM COc1nc(NC(=O)c2n[nH]c(C)c2C)n[n-]1 ZINC000272604470 175395881 /nfs/dbraw/zinc/39/58/81/175395881.db2.gz YYUGDHTYHLRFHD-UHFFFAOYSA-N -1 3 236.235 0.406 20 0 BCADHM COc1n[n-]c(NC(=O)c2n[nH]c(C)c2C)n1 ZINC000272604470 175395883 /nfs/dbraw/zinc/39/58/83/175395883.db2.gz YYUGDHTYHLRFHD-UHFFFAOYSA-N -1 3 236.235 0.406 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCN(Cc2ncc[nH]2)CC1 ZINC000310547481 175624899 /nfs/dbraw/zinc/62/48/99/175624899.db2.gz VLWSYGONQSBXHO-VIFPVBQESA-N -1 3 238.291 0.000 20 0 BCADHM C[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC000336397140 176102049 /nfs/dbraw/zinc/10/20/49/176102049.db2.gz BIMAPCVIISCKNU-RKDXNWHRSA-N -1 3 224.308 0.729 20 0 BCADHM C[C@@H]1CCC[C@@H](C)N1CC(=O)NCC(=O)[O-] ZINC000033433881 176115482 /nfs/dbraw/zinc/11/54/82/176115482.db2.gz CUTSLQQDXJJRQZ-RKDXNWHRSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000128835959 176233395 /nfs/dbraw/zinc/23/33/95/176233395.db2.gz JCDFWXRJJVFOQR-SFYZADRCSA-N -1 3 229.305 0.877 20 0 BCADHM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H](C)N1 ZINC000070075941 176265856 /nfs/dbraw/zinc/26/58/56/176265856.db2.gz NOSHWMZTSDAFKQ-RKDXNWHRSA-N -1 3 235.287 0.610 20 0 BCADHM C[C@@H]1COCC[C@H]1CNC(=O)c1c[n-]nn1 ZINC000286499913 176342895 /nfs/dbraw/zinc/34/28/95/176342895.db2.gz ARIWCRFZOYOWBF-SFYZADRCSA-N -1 3 224.264 0.207 20 0 BCADHM C[C@@H]1COCC[C@H]1CNC(=O)c1cnn[n-]1 ZINC000286499913 176342898 /nfs/dbraw/zinc/34/28/98/176342898.db2.gz ARIWCRFZOYOWBF-SFYZADRCSA-N -1 3 224.264 0.207 20 0 BCADHM C[C@@H]1COCC[C@H]1CNC(=O)c1cn[n-]n1 ZINC000286499913 176342900 /nfs/dbraw/zinc/34/29/00/176342900.db2.gz ARIWCRFZOYOWBF-SFYZADRCSA-N -1 3 224.264 0.207 20 0 BCADHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000125099203 176398040 /nfs/dbraw/zinc/39/80/40/176398040.db2.gz IYZKVCBTXQWTGF-RNFRBKRXSA-N -1 3 215.278 0.344 20 0 BCADHM C[C@H]1CCCC[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC000328602664 177088757 /nfs/dbraw/zinc/08/87/57/177088757.db2.gz HCZKUSGCQPWWGO-DTWKUNHWSA-N -1 3 224.308 0.777 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@@H]1O ZINC000357490241 177228057 /nfs/dbraw/zinc/22/80/57/177228057.db2.gz REHORNHZKVBHOX-KWQFWETISA-N -1 3 221.256 0.845 20 0 BCADHM C[C@H]1COCCN1C(=O)c1csc(=O)[n-]1 ZINC000329956102 177291099 /nfs/dbraw/zinc/29/10/99/177291099.db2.gz PJKLOZVZEVSZRI-LURJTMIESA-N -1 3 228.273 0.710 20 0 BCADHM C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)[O-] ZINC000332419247 177326500 /nfs/dbraw/zinc/32/65/00/177326500.db2.gz RINPFKBTJYQRPO-DTWKUNHWSA-N -1 3 226.276 0.156 20 0 BCADHM C[C@H]1OCCN[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000262233217 177399517 /nfs/dbraw/zinc/39/95/17/177399517.db2.gz KIPJGIONSUJUIJ-APPZFPTMSA-N -1 3 237.259 0.103 20 0 BCADHM Cc1n[nH]cc1CNC(=O)c1csc(=O)[n-]1 ZINC000471707153 225073000 /nfs/dbraw/zinc/07/30/00/225073000.db2.gz USXGJUHGBFZMIG-UHFFFAOYSA-N -1 3 238.272 0.810 20 0 BCADHM COC[C@@H](C)[C@H](C)C(=O)Nc1n[n-]c(OC)n1 ZINC000486951690 225275710 /nfs/dbraw/zinc/27/57/10/225275710.db2.gz UBUWLTJJCBPDPM-RQJHMYQMSA-N -1 3 242.279 0.670 20 0 BCADHM COC[C@@H](C)[C@H](C)C(=O)Nc1nnc(OC)[n-]1 ZINC000486951690 225275713 /nfs/dbraw/zinc/27/57/13/225275713.db2.gz UBUWLTJJCBPDPM-RQJHMYQMSA-N -1 3 242.279 0.670 20 0 BCADHM COC[C@@H](C)[C@H](C)C(=O)Nc1nc(OC)n[n-]1 ZINC000486951690 225275716 /nfs/dbraw/zinc/27/57/16/225275716.db2.gz UBUWLTJJCBPDPM-RQJHMYQMSA-N -1 3 242.279 0.670 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NC[C@H](O)C1CC1 ZINC000492520514 226012145 /nfs/dbraw/zinc/01/21/45/226012145.db2.gz NDBQQXOSYFLUCK-GEIFVHNQSA-N -1 3 248.282 0.688 20 0 BCADHM NC(=O)CCCNC(=O)/C=C\c1cncc([O-])c1 ZINC000492521454 226012292 /nfs/dbraw/zinc/01/22/92/226012292.db2.gz PQKLVFKAPMELOY-ARJAWSKDSA-N -1 3 249.270 0.182 20 0 BCADHM COC[C@@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000492521913 226012994 /nfs/dbraw/zinc/01/29/94/226012994.db2.gz RRGJBTLYVVKURP-CDAZIORVSA-N -1 3 236.271 0.952 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NCC(=O)C1CC1 ZINC000492526889 226013353 /nfs/dbraw/zinc/01/33/53/226013353.db2.gz CWVGDTVWRYGBKM-RJRFIUFISA-N -1 3 246.266 0.896 20 0 BCADHM O=C(/C=C/c1cccc(F)c1)[N-]OCCO ZINC000492683237 226037735 /nfs/dbraw/zinc/03/77/35/226037735.db2.gz ROYGKMJDSLRNBI-SNAWJCMRSA-N -1 3 225.219 0.879 20 0 BCADHM Cc1cncc(/C=C\C(=O)[N-]OCCO)c1 ZINC000492715019 226041135 /nfs/dbraw/zinc/04/11/35/226041135.db2.gz KDABPUDVJNNXAK-IHWYPQMZSA-N -1 3 222.244 0.443 20 0 BCADHM O=C(/C=C/c1cscn1)[N-]OCCCO ZINC000493210047 226156981 /nfs/dbraw/zinc/15/69/81/226156981.db2.gz UFLHKSLVYUFDBJ-NSCUHMNNSA-N -1 3 228.273 0.587 20 0 BCADHM C[C@H]1CC[C@@](CO)(N(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC000495200863 226278548 /nfs/dbraw/zinc/27/85/48/226278548.db2.gz ILUCKFILRPNKOS-GZMMTYOYSA-N -1 3 240.307 0.493 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N[C@@H]1CC[C@H]1O ZINC000493391252 226202608 /nfs/dbraw/zinc/20/26/08/226202608.db2.gz TZIWVNYIPIXFQY-UGJREKFNSA-N -1 3 234.255 0.440 20 0 BCADHM CO[N-]C(=O)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000495611500 226283756 /nfs/dbraw/zinc/28/37/56/226283756.db2.gz LVLSVIBKUWNFCD-ZETCQYMHSA-N -1 3 232.280 0.825 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)NCCF ZINC000493569112 226243986 /nfs/dbraw/zinc/24/39/86/226243986.db2.gz RMUNSOQCHCWDQV-UPHRSURJSA-N -1 3 210.208 0.886 20 0 BCADHM CSCCO[N-]C(=O)C=Cc1c[nH]cn1 ZINC000493672572 226248791 /nfs/dbraw/zinc/24/87/91/226248791.db2.gz HSKGTQADUCFULP-NSCUHMNNSA-N -1 3 227.289 0.834 20 0 BCADHM O=C(/C=C\c1cncs1)[N-]O[C@@H]1CCOC1 ZINC000493756813 226252895 /nfs/dbraw/zinc/25/28/95/226252895.db2.gz PTQMYEJQMYUWCB-SLYZXXNYSA-N -1 3 240.284 0.993 20 0 BCADHM CCn1c(=O)[n-]nc1SC[C@H]1COC(=O)N1 ZINC000496315940 226301606 /nfs/dbraw/zinc/30/16/06/226301606.db2.gz XYASEUZOVAREAF-RXMQYKEDSA-N -1 3 244.276 0.204 20 0 BCADHM O=C(OC[C@@H]1CNC(=O)O1)c1ccc([O-])cc1 ZINC000495782115 226288546 /nfs/dbraw/zinc/28/85/46/226288546.db2.gz HHEIOFCVGUPZFO-VIFPVBQESA-N -1 3 237.211 0.657 20 0 BCADHM N[C@@H](C(=O)N(CC(=O)[O-])C1CCC1)C1CCC1 ZINC000653472019 487678063 /nfs/dbraw/zinc/67/80/63/487678063.db2.gz CYSNXJILQGXJIH-LLVKDONJSA-N -1 3 240.303 0.580 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H]2CCOC2)n1 ZINC000087783864 487684528 /nfs/dbraw/zinc/68/45/28/487684528.db2.gz PSDYKAYXYNNSNE-SECBINFHSA-N -1 3 208.261 0.974 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Cc1cccc(O)c1 ZINC000278594148 487684971 /nfs/dbraw/zinc/68/49/71/487684971.db2.gz KORSONNDTLRXON-UHFFFAOYSA-N -1 3 239.271 0.753 20 0 BCADHM C[C@H](C[C@@H]1CCOC1)N=c1ncnc2[nH][n-]cc1-2 ZINC000675291372 487691149 /nfs/dbraw/zinc/69/11/49/487691149.db2.gz OMNOCXLCGBWFAK-BDAKNGLRSA-N -1 3 247.302 0.953 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)CC[C@H]1CCCO1 ZINC000681077978 487715545 /nfs/dbraw/zinc/71/55/45/487715545.db2.gz YIHQIGQGWIPZGP-SNVBAGLBSA-N -1 3 249.332 0.454 20 0 BCADHM CC[C@@H](C)CN(C)[C@@H](C)C(=O)NCC(=O)[O-] ZINC000736881275 585018522 /nfs/dbraw/zinc/01/85/22/585018522.db2.gz YBEBNZZGPZITKJ-BDAKNGLRSA-N -1 3 230.308 0.554 20 0 BCADHM CN1CC[C@H](C(=O)Nc2ccccc2[O-])C1=O ZINC000681244618 487758749 /nfs/dbraw/zinc/75/87/49/487758749.db2.gz IHHMUPDIHGOOMT-MRVPVSSYSA-N -1 3 234.255 0.809 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]OCC(F)(F)F ZINC000766769756 585508403 /nfs/dbraw/zinc/50/84/03/585508403.db2.gz YXHJCQRURZPQTA-RXMQYKEDSA-N -1 3 243.181 0.796 20 0 BCADHM O=S(=O)([N-]C[C@H]1C[C@@H](O)C1)c1ccccn1 ZINC000625568839 487824720 /nfs/dbraw/zinc/82/47/20/487824720.db2.gz XQHMKQWAXPIXAB-DTORHVGOSA-N -1 3 242.300 0.131 20 0 BCADHM CCOC(=O)CCN(C)[C@H](C)CNC(=O)[O-] ZINC000827307103 587376374 /nfs/dbraw/zinc/37/63/74/587376374.db2.gz XZNQIWVCSMDXDZ-MRVPVSSYSA-N -1 3 232.280 0.528 20 0 BCADHM CC(C)[C@H](C(=O)[N-]OC(C)(C)CO)N(C)C ZINC000836802608 587837552 /nfs/dbraw/zinc/83/75/52/587837552.db2.gz CAJIINDAYDSIBT-SECBINFHSA-N -1 3 232.324 0.391 20 0 BCADHM CC(C)OCCC(=O)[N-]O[C@H](CO)C(C)C ZINC000836900792 587842329 /nfs/dbraw/zinc/84/23/29/587842329.db2.gz PKSDLJIGHDGLBE-SNVBAGLBSA-N -1 3 233.308 0.866 20 0 BCADHM CCOC([O-])=NOCCC1OCCCO1 ZINC000496345591 529082158 /nfs/dbraw/zinc/08/21/58/529082158.db2.gz NMBKWSJSTKZCRM-UHFFFAOYSA-N -1 3 219.237 0.817 20 0 BCADHM CCOC(=O)[N-]OCCC1OCCCO1 ZINC000496345591 529082168 /nfs/dbraw/zinc/08/21/68/529082168.db2.gz NMBKWSJSTKZCRM-UHFFFAOYSA-N -1 3 219.237 0.817 20 0 BCADHM CCN1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000681736910 487850398 /nfs/dbraw/zinc/85/03/98/487850398.db2.gz PVZMXJAKFDKKJC-NXEZZACHSA-N -1 3 249.314 0.857 20 0 BCADHM CC1(C)CC([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000395412330 487858422 /nfs/dbraw/zinc/85/84/22/487858422.db2.gz QWCFYSZBWXFAIZ-UHFFFAOYSA-N -1 3 229.305 0.877 20 0 BCADHM Cn1cnnc1[N-]C(=O)C1(O)CCCC1 ZINC000681770691 487861011 /nfs/dbraw/zinc/86/10/11/487861011.db2.gz WTYIFLVEFLYOJR-UHFFFAOYSA-N -1 3 210.237 0.059 20 0 BCADHM O=C(N[C@@H](CO)CCF)c1ccccc1[O-] ZINC000652920516 487869024 /nfs/dbraw/zinc/86/90/24/487869024.db2.gz AVIAEUHAOFUVGJ-MRVPVSSYSA-N -1 3 227.235 0.843 20 0 BCADHM CCCCS(=O)(=O)[N-][C@H]1C[C@@H](C)OC1=O ZINC000919722205 642379293 /nfs/dbraw/zinc/37/92/93/642379293.db2.gz GMLVFJXKFJDGCQ-SFYZADRCSA-N -1 3 235.305 0.410 20 0 BCADHM CN1C[C@@H](C(=O)Nc2ccccc2[O-])NC1=O ZINC000666921367 487905439 /nfs/dbraw/zinc/90/54/39/487905439.db2.gz SGAGMRBNACTQHB-QMMMGPOBSA-N -1 3 235.243 0.354 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1ccco1)C(C)(C)O ZINC000682082208 487906491 /nfs/dbraw/zinc/90/64/91/487906491.db2.gz VAHDIMFYMQGCCA-ZETCQYMHSA-N -1 3 233.289 0.717 20 0 BCADHM Cn1nccc1CN1CCC[C@@]1(C)C(=O)[O-] ZINC000083417432 487908679 /nfs/dbraw/zinc/90/86/79/487908679.db2.gz WCTVSBOAOKSTAT-NSHDSACASA-N -1 3 223.276 0.859 20 0 BCADHM CCN(CC)CC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655566708 487912817 /nfs/dbraw/zinc/91/28/17/487912817.db2.gz SAAMHEQPSAWEQI-SNVBAGLBSA-N -1 3 244.335 0.801 20 0 BCADHM CC(C)(CO)CNC(=O)c1cccc2nn[n-]c21 ZINC000682163752 487920191 /nfs/dbraw/zinc/92/01/91/487920191.db2.gz ILDFPLNZOJBLLY-UHFFFAOYSA-N -1 3 248.286 0.706 20 0 BCADHM CC(C)(CO)CNC(=O)c1cccc2[n-]nnc21 ZINC000682163752 487920197 /nfs/dbraw/zinc/92/01/97/487920197.db2.gz ILDFPLNZOJBLLY-UHFFFAOYSA-N -1 3 248.286 0.706 20 0 BCADHM CC(C)(CO)CNC(=O)c1cccc2n[n-]nc21 ZINC000682163752 487920203 /nfs/dbraw/zinc/92/02/03/487920203.db2.gz ILDFPLNZOJBLLY-UHFFFAOYSA-N -1 3 248.286 0.706 20 0 BCADHM C[C@H](CO)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000676994766 487952372 /nfs/dbraw/zinc/95/23/72/487952372.db2.gz KLGAAUBZBYTVEJ-IUCAKERBSA-N -1 3 240.307 0.318 20 0 BCADHM C[C@@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)CO1 ZINC000569571761 322970769 /nfs/dbraw/zinc/97/07/69/322970769.db2.gz PGXDZBANHLGMHU-RQJHMYQMSA-N -1 3 219.248 0.316 20 0 BCADHM Cc1nc(CNC(=O)Cc2cncc([O-])c2)no1 ZINC000561247234 322997935 /nfs/dbraw/zinc/99/79/35/322997935.db2.gz OQNKNIVTSCSCJH-UHFFFAOYSA-N -1 3 248.242 0.338 20 0 BCADHM C[C@H]1COCCN1C(=O)Cc1cncc([O-])c1 ZINC000566470751 322999619 /nfs/dbraw/zinc/99/96/19/322999619.db2.gz POQBVKMAXUNCSC-VIFPVBQESA-N -1 3 236.271 0.577 20 0 BCADHM C[C@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1CN(C)C ZINC000404906795 323031824 /nfs/dbraw/zinc/03/18/24/323031824.db2.gz GIUNEPKVFCPXAV-VHSXEESVSA-N -1 3 242.319 0.650 20 0 BCADHM C[C@@H](NC(=O)Cc1cncc([O-])c1)c1cn[nH]c1 ZINC000565213686 323033705 /nfs/dbraw/zinc/03/37/05/323033705.db2.gz NCVSSWLVJUYOSB-MRVPVSSYSA-N -1 3 246.270 0.930 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)o1 ZINC000569954104 323045601 /nfs/dbraw/zinc/04/56/01/323045601.db2.gz DJHOJPADXBHZKP-MBTKJCJQSA-N -1 3 243.284 0.511 20 0 BCADHM CO[C@@H](C)[C@@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000569988624 323046656 /nfs/dbraw/zinc/04/66/56/323046656.db2.gz SHAWYCXKRJZHNR-BDAKNGLRSA-N -1 3 238.287 0.869 20 0 BCADHM CCc1nnc(CNc2cc[nH+]cc2C(=O)[O-])[n-]1 ZINC000570519084 323062393 /nfs/dbraw/zinc/06/23/93/323062393.db2.gz ARSUSKOFRUMXLZ-UHFFFAOYSA-N -1 3 247.258 0.494 20 0 BCADHM O=S(=O)([N-]C1(CO)CCC1)c1cscn1 ZINC000570566624 323062956 /nfs/dbraw/zinc/06/29/56/323062956.db2.gz CCTDCPYSTSZOFC-UHFFFAOYSA-N -1 3 248.329 0.336 20 0 BCADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1c[n-]nn1)CO2 ZINC000156229178 323065151 /nfs/dbraw/zinc/06/51/51/323065151.db2.gz IAEVMBJFENYHOP-JTQLQIEISA-N -1 3 244.254 0.977 20 0 BCADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cnn[n-]1)CO2 ZINC000156229178 323065152 /nfs/dbraw/zinc/06/51/52/323065152.db2.gz IAEVMBJFENYHOP-JTQLQIEISA-N -1 3 244.254 0.977 20 0 BCADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cn[n-]n1)CO2 ZINC000156229178 323065153 /nfs/dbraw/zinc/06/51/53/323065153.db2.gz IAEVMBJFENYHOP-JTQLQIEISA-N -1 3 244.254 0.977 20 0 BCADHM CN(C(=O)Cc1cncc([O-])c1)c1cnn(C)c1 ZINC000570648373 323065929 /nfs/dbraw/zinc/06/59/29/323065929.db2.gz KSPBXESBZJHPQV-UHFFFAOYSA-N -1 3 246.270 0.726 20 0 BCADHM CN(Cc1ncccc1[O-])[C@@H]1CCC(=O)N(C)C1 ZINC000570824178 323071737 /nfs/dbraw/zinc/07/17/37/323071737.db2.gz PAZKUAILCAGJDE-SNVBAGLBSA-N -1 3 249.314 0.840 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1(C)CCC1 ZINC000531410200 323088917 /nfs/dbraw/zinc/08/89/17/323088917.db2.gz TZQUCPAUJQOWAS-SECBINFHSA-N -1 3 237.303 0.805 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000531432455 323089442 /nfs/dbraw/zinc/08/94/42/323089442.db2.gz OODQXTNOPYQMHW-OUAUKWLOSA-N -1 3 249.314 0.661 20 0 BCADHM CC(C)N1CCCC[C@@H]1C(=O)N(C)CC(=O)[O-] ZINC000563132777 323094438 /nfs/dbraw/zinc/09/44/38/323094438.db2.gz QHKJTVZRDNAIFA-SNVBAGLBSA-N -1 3 242.319 0.792 20 0 BCADHM O=C(NCCCF)c1csc(=O)[n-]1 ZINC000308197567 323133754 /nfs/dbraw/zinc/13/37/54/323133754.db2.gz ULYOUCXQFUSGOA-UHFFFAOYSA-N -1 3 204.226 0.526 20 0 BCADHM C[C@H](CO)N(Cc1ncccc1[O-])C[C@H](C)O ZINC000563656658 323133904 /nfs/dbraw/zinc/13/39/04/323133904.db2.gz OLLMKGRBZJJXTG-ZJUUUORDSA-N -1 3 240.303 0.351 20 0 BCADHM NC(=O)N[C@H]1CCN(Cc2ncccc2[O-])C1 ZINC000571207420 323137838 /nfs/dbraw/zinc/13/78/38/323137838.db2.gz QQHZKPZBUFAGBM-QMMMGPOBSA-N -1 3 236.275 0.030 20 0 BCADHM CC(C)(C)OC[C@@H](O)CN1CCC[C@@H]1C(=O)[O-] ZINC000571337732 323141832 /nfs/dbraw/zinc/14/18/32/323141832.db2.gz RUPMETFLAXBYSQ-VHSXEESVSA-N -1 3 245.319 0.711 20 0 BCADHM COC[C@@](C)(O)C(=O)Nc1ccccc1[O-] ZINC000534646396 323157270 /nfs/dbraw/zinc/15/72/70/323157270.db2.gz YIRGNKFOVAYEIN-LLVKDONJSA-N -1 3 225.244 0.728 20 0 BCADHM Cc1nc(C)c(CC(=O)Nc2cc[nH]n2)c(=O)[n-]1 ZINC000049449796 323161218 /nfs/dbraw/zinc/16/12/18/323161218.db2.gz YSWPZWVVWFZGKA-UHFFFAOYSA-N -1 3 247.258 0.291 20 0 BCADHM CCc1nsc(Sc2nnc(CO)[n-]2)n1 ZINC000527315647 323185666 /nfs/dbraw/zinc/18/56/66/323185666.db2.gz CIVQZUYSJXUHGI-UHFFFAOYSA-N -1 3 243.317 0.862 20 0 BCADHM CCc1nsc(Sc2nc(CO)n[n-]2)n1 ZINC000527315647 323185667 /nfs/dbraw/zinc/18/56/67/323185667.db2.gz CIVQZUYSJXUHGI-UHFFFAOYSA-N -1 3 243.317 0.862 20 0 BCADHM CCc1nsc(Sc2n[n-]c(CO)n2)n1 ZINC000527315647 323185668 /nfs/dbraw/zinc/18/56/68/323185668.db2.gz CIVQZUYSJXUHGI-UHFFFAOYSA-N -1 3 243.317 0.862 20 0 BCADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCC(=O)N1 ZINC000535657307 323187707 /nfs/dbraw/zinc/18/77/07/323187707.db2.gz BGGIZKBPKJLBGN-SSDOTTSWSA-N -1 3 238.218 0.748 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CCCF)c1 ZINC000532260619 323212336 /nfs/dbraw/zinc/21/23/36/323212336.db2.gz QBXPWPLHBCAGBX-UHFFFAOYSA-N -1 3 221.257 0.058 20 0 BCADHM O=C(Cn1cc(Cl)c(=O)[n-]c1=O)C1CCC1 ZINC000572103349 323539044 /nfs/dbraw/zinc/53/90/44/323539044.db2.gz LRYIKDQFPFLPHF-UHFFFAOYSA-N -1 3 242.662 0.972 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@H]1CCCC12CC2 ZINC000528961173 324224701 /nfs/dbraw/zinc/22/47/01/324224701.db2.gz MPMAVKLWIPCLRH-SSDOTTSWSA-N -1 3 212.249 0.100 20 0 BCADHM O=C(NCC1CC=CC1)c1cc(=O)[n-]cn1 ZINC000529708442 324381541 /nfs/dbraw/zinc/38/15/41/324381541.db2.gz WYBBCMRMYIDPSB-UHFFFAOYSA-N -1 3 219.244 0.878 20 0 BCADHM COC[C@H]1CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000529924914 324433852 /nfs/dbraw/zinc/43/38/52/324433852.db2.gz NZURVSKWPLTBAB-MRVPVSSYSA-N -1 3 237.259 0.433 20 0 BCADHM O=C(NCC1COC1)c1ccccc1[O-] ZINC000530113243 324474690 /nfs/dbraw/zinc/47/46/90/324474690.db2.gz KWWUEDZGJMKXQD-UHFFFAOYSA-N -1 3 207.229 0.768 20 0 BCADHM COc1cc(C(=O)NCC2COC2)ccc1[O-] ZINC000530117498 324479691 /nfs/dbraw/zinc/47/96/91/324479691.db2.gz XOBBLLRCCKWFIV-UHFFFAOYSA-N -1 3 237.255 0.777 20 0 BCADHM CN1C[C@H](C(=O)Nc2ccccc2[O-])CC1=O ZINC000126778612 324716485 /nfs/dbraw/zinc/71/64/85/324716485.db2.gz SBTQPSINZDEQCU-MRVPVSSYSA-N -1 3 234.255 0.809 20 0 BCADHM NC(=O)c1cccc(C(=O)[N-]c2nncs2)n1 ZINC000541942983 324999458 /nfs/dbraw/zinc/99/94/58/324999458.db2.gz RJCGQGJXHSYKAX-UHFFFAOYSA-N -1 3 249.255 0.284 20 0 BCADHM CCOC(=O)C[C@@H](C)CNC(=O)c1c[n-]nn1 ZINC000129976095 325000155 /nfs/dbraw/zinc/00/01/55/325000155.db2.gz HACZVGLTSLFMSR-SSDOTTSWSA-N -1 3 240.263 0.124 20 0 BCADHM CCOC(=O)C[C@@H](C)CNC(=O)c1cnn[n-]1 ZINC000129976095 325000158 /nfs/dbraw/zinc/00/01/58/325000158.db2.gz HACZVGLTSLFMSR-SSDOTTSWSA-N -1 3 240.263 0.124 20 0 BCADHM CCOC(=O)C[C@@H](C)CNC(=O)c1cn[n-]n1 ZINC000129976095 325000160 /nfs/dbraw/zinc/00/01/60/325000160.db2.gz HACZVGLTSLFMSR-SSDOTTSWSA-N -1 3 240.263 0.124 20 0 BCADHM O=C([N-]c1nncs1)c1cnc2n[nH]nc2c1 ZINC000543550220 325093198 /nfs/dbraw/zinc/09/31/98/325093198.db2.gz MXRPMIMIWMAZHW-UHFFFAOYSA-N -1 3 247.243 0.457 20 0 BCADHM COc1ccc(C(=O)N[C@@H]2CCOC2)c([O-])c1 ZINC000131556151 325163845 /nfs/dbraw/zinc/16/38/45/325163845.db2.gz WWCRXTSYSSVGRT-MRVPVSSYSA-N -1 3 237.255 0.920 20 0 BCADHM CN(CCC1CC1)c1nc2[nH][n-]cc-2c(=N)n1 ZINC000544847452 325164012 /nfs/dbraw/zinc/16/40/12/325164012.db2.gz ZSAPSFHLOIKWLB-UHFFFAOYSA-N -1 3 232.291 0.953 20 0 BCADHM CC[C@](C)(O)C[N-]S(=O)(=O)c1ccccn1 ZINC000132440985 325216604 /nfs/dbraw/zinc/21/66/04/325216604.db2.gz UOHDGKMJNKNWKJ-JTQLQIEISA-N -1 3 244.316 0.521 20 0 BCADHM Cc1cc(C(=O)N2C[C@H](O)C3(CC3)C2)[n-]c(=O)n1 ZINC000547655751 325380127 /nfs/dbraw/zinc/38/01/27/325380127.db2.gz IAJINQCIEDIILK-VIFPVBQESA-N -1 3 249.270 0.088 20 0 BCADHM CCS(=O)(=O)[N-]Cc1nc(CC(C)C)no1 ZINC000136390557 325453045 /nfs/dbraw/zinc/45/30/45/325453045.db2.gz RNTAXEHKPPSFEA-UHFFFAOYSA-N -1 3 247.320 0.707 20 0 BCADHM COC[C@H]1CCN1C(=O)c1csc(=O)[n-]1 ZINC000554577494 325728897 /nfs/dbraw/zinc/72/88/97/325728897.db2.gz IFHLKUQMPRSENO-ZCFIWIBFSA-N -1 3 228.273 0.710 20 0 BCADHM CCC[C@@H](C)S(=O)(=O)[N-]CC(=O)OC ZINC000566331574 326034345 /nfs/dbraw/zinc/03/43/45/326034345.db2.gz VVEQNOGWNGZQRI-SSDOTTSWSA-N -1 3 223.294 0.267 20 0 BCADHM O=S(=O)([N-][C@H]1CCC[C@@H]2C[C@@H]21)c1c[nH]cn1 ZINC000566962628 326097347 /nfs/dbraw/zinc/09/73/47/326097347.db2.gz JMHQUQIRBNMWJX-VGMNWLOBSA-N -1 3 241.316 0.877 20 0 BCADHM O=S(=O)([N-]C[C@H]1CC12CC2)c1c[nH]cn1 ZINC000566962677 326097484 /nfs/dbraw/zinc/09/74/84/326097484.db2.gz PJQZEYAOSTUFIS-SSDOTTSWSA-N -1 3 227.289 0.488 20 0 BCADHM CCO[N-]C(=O)CCCNC(=O)OCC ZINC000154645882 326155122 /nfs/dbraw/zinc/15/51/22/326155122.db2.gz MPSQVZCLHUBCBJ-UHFFFAOYSA-N -1 3 218.253 0.580 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(C)C[C@@H]1F ZINC000567493484 326203682 /nfs/dbraw/zinc/20/36/82/326203682.db2.gz CEVBRQQLROWBPT-VHSKPIJISA-N -1 3 241.266 0.363 20 0 BCADHM C[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000156014869 326217153 /nfs/dbraw/zinc/21/71/53/326217153.db2.gz GBFJUKOKKBPDRD-UHFFFAOYSA-N -1 3 247.247 0.520 20 0 BCADHM CNC(=O)NCC(=O)Nc1cc(F)ccc1[O-] ZINC000156921715 326248937 /nfs/dbraw/zinc/24/89/37/326248937.db2.gz FUTOOYTXYFQPNZ-UHFFFAOYSA-N -1 3 241.222 0.399 20 0 BCADHM CC[C@@H]1CN(CC2(C(=O)[O-])CC2)CCO1 ZINC000568062864 326302512 /nfs/dbraw/zinc/30/25/12/326302512.db2.gz SUFHTNVHZWZMED-SECBINFHSA-N -1 3 213.277 0.962 20 0 BCADHM Cc1ncc(CNC(=O)Cc2cncc([O-])c2)o1 ZINC000568233101 326330975 /nfs/dbraw/zinc/33/09/75/326330975.db2.gz DJHNTFGTIWABIW-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM CCO[C@@H]1C[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000568413747 326355896 /nfs/dbraw/zinc/35/58/96/326355896.db2.gz PLCZDAMBLRMLMT-WDEREUQCSA-N -1 3 236.271 0.623 20 0 BCADHM CC[C@H](NC(=O)c1cccc2nn[n-]c21)[C@H](C)O ZINC000568724777 326373526 /nfs/dbraw/zinc/37/35/26/326373526.db2.gz FOBVOQPOADIOJB-CBAPKCEASA-N -1 3 248.286 0.847 20 0 BCADHM CC[C@H](NC(=O)c1cccc2[n-]nnc21)[C@H](C)O ZINC000568724777 326373527 /nfs/dbraw/zinc/37/35/27/326373527.db2.gz FOBVOQPOADIOJB-CBAPKCEASA-N -1 3 248.286 0.847 20 0 BCADHM CC[C@H](NC(=O)c1cccc2n[n-]nc21)[C@H](C)O ZINC000568724777 326373528 /nfs/dbraw/zinc/37/35/28/326373528.db2.gz FOBVOQPOADIOJB-CBAPKCEASA-N -1 3 248.286 0.847 20 0 BCADHM CC[C@H](NC(=O)c1cccc2nn[n-]c21)[C@@H](C)O ZINC000568724776 326373658 /nfs/dbraw/zinc/37/36/58/326373658.db2.gz FOBVOQPOADIOJB-APPZFPTMSA-N -1 3 248.286 0.847 20 0 BCADHM CC[C@H](NC(=O)c1cccc2[n-]nnc21)[C@@H](C)O ZINC000568724776 326373659 /nfs/dbraw/zinc/37/36/59/326373659.db2.gz FOBVOQPOADIOJB-APPZFPTMSA-N -1 3 248.286 0.847 20 0 BCADHM CC[C@H](NC(=O)c1cccc2n[n-]nc21)[C@@H](C)O ZINC000568724776 326373661 /nfs/dbraw/zinc/37/36/61/326373661.db2.gz FOBVOQPOADIOJB-APPZFPTMSA-N -1 3 248.286 0.847 20 0 BCADHM CC[C@@H](NC(=O)c1cccc2nn[n-]c21)[C@H](C)O ZINC000568724778 326373708 /nfs/dbraw/zinc/37/37/08/326373708.db2.gz FOBVOQPOADIOJB-IONNQARKSA-N -1 3 248.286 0.847 20 0 BCADHM CC[C@@H](NC(=O)c1cccc2[n-]nnc21)[C@H](C)O ZINC000568724778 326373709 /nfs/dbraw/zinc/37/37/09/326373709.db2.gz FOBVOQPOADIOJB-IONNQARKSA-N -1 3 248.286 0.847 20 0 BCADHM CC[C@@H](NC(=O)c1cccc2n[n-]nc21)[C@H](C)O ZINC000568724778 326373711 /nfs/dbraw/zinc/37/37/11/326373711.db2.gz FOBVOQPOADIOJB-IONNQARKSA-N -1 3 248.286 0.847 20 0 BCADHM O=C(Nc1cc2c(cn1)CCC2)c1nnc[n-]1 ZINC000568734915 326373949 /nfs/dbraw/zinc/37/39/49/326373949.db2.gz HZRLMIWRDXBVAR-UHFFFAOYSA-N -1 3 229.243 0.941 20 0 BCADHM O=C(Nc1cc2c(cn1)CCC2)c1nc[n-]n1 ZINC000568734915 326373951 /nfs/dbraw/zinc/37/39/51/326373951.db2.gz HZRLMIWRDXBVAR-UHFFFAOYSA-N -1 3 229.243 0.941 20 0 BCADHM C[C@H](CNC(=O)[C@@H]1NCCCC1(C)C)C(=O)[O-] ZINC000235485299 487972094 /nfs/dbraw/zinc/97/20/94/487972094.db2.gz DODURALFNIPNHF-BDAKNGLRSA-N -1 3 242.319 0.602 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)C1(N)CCCCC1 ZINC000044625273 488030175 /nfs/dbraw/zinc/03/01/75/488030175.db2.gz STOIREIBDOXHMU-SECBINFHSA-N -1 3 242.319 0.970 20 0 BCADHM CCO[C@H](C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673543406 488066362 /nfs/dbraw/zinc/06/63/62/488066362.db2.gz AFUXJESRXIFDMW-MRVPVSSYSA-N -1 3 241.291 0.184 20 0 BCADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(N)=O ZINC000075913251 488087248 /nfs/dbraw/zinc/08/72/48/488087248.db2.gz QTNNGLMKCBMVBZ-UHFFFAOYSA-N -1 3 232.243 0.238 20 0 BCADHM COc1ccc([N-]S(C)(=O)=O)nc1 ZINC000117679482 487478020 /nfs/dbraw/zinc/47/80/20/487478020.db2.gz IPCZOJCQQVZXQI-UHFFFAOYSA-N -1 3 202.235 0.462 20 0 BCADHM Cc1nccc(NC(=O)c2nc[n-]n2)c1Cl ZINC000679922389 487489846 /nfs/dbraw/zinc/48/98/46/487489846.db2.gz TXIUMJBUMNBJSA-UHFFFAOYSA-N -1 3 237.650 0.836 20 0 BCADHM Cc1cc(C(=O)NC2(C(N)=O)CCC2)ccc1[O-] ZINC000679411817 487502955 /nfs/dbraw/zinc/50/29/55/487502955.db2.gz AJOOPPOESOMTMI-UHFFFAOYSA-N -1 3 248.282 0.838 20 0 BCADHM CC(=O)NC(C)(C)C(=O)Nc1ncccc1[O-] ZINC000680006811 487516030 /nfs/dbraw/zinc/51/60/30/487516030.db2.gz XJQQBFQEFWABIU-UHFFFAOYSA-N -1 3 237.259 0.640 20 0 BCADHM CN(Cc1ncccc1[O-])C1CC(O)C1 ZINC000685427267 487521323 /nfs/dbraw/zinc/52/13/23/487521323.db2.gz RXIRKOCYOYIABU-UHFFFAOYSA-N -1 3 208.261 0.742 20 0 BCADHM CN(Cc1ncccc1[O-])CC1(CO)CC1 ZINC000685428866 487521909 /nfs/dbraw/zinc/52/19/09/487521909.db2.gz VVSBPDJWTIFMBI-UHFFFAOYSA-N -1 3 222.288 0.992 20 0 BCADHM O=C([N-]c1cnoc1)c1cc2n(n1)CCCO2 ZINC000683311928 488147378 /nfs/dbraw/zinc/14/73/78/488147378.db2.gz MXHIATWWTJMTKO-UHFFFAOYSA-N -1 3 234.215 0.906 20 0 BCADHM O=C([N-]c1cnoc1)c1cnn2ncccc12 ZINC000683406163 488158412 /nfs/dbraw/zinc/15/84/12/488158412.db2.gz WYTYWOTWZIENAU-UHFFFAOYSA-N -1 3 229.199 0.970 20 0 BCADHM CO[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000680391119 488160253 /nfs/dbraw/zinc/16/02/53/488160253.db2.gz UFXZARQSWSBCCF-SECBINFHSA-N -1 3 240.307 0.109 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccco1 ZINC000532492950 488165530 /nfs/dbraw/zinc/16/55/30/488165530.db2.gz AXHPSUREOSKPPY-JTQLQIEISA-N -1 3 249.270 0.450 20 0 BCADHM COc1nnc([N-]C(=O)c2cncnc2)s1 ZINC000683904002 488242462 /nfs/dbraw/zinc/24/24/62/488242462.db2.gz HGDFZEDFSXBFSK-UHFFFAOYSA-N -1 3 237.244 0.589 20 0 BCADHM Cc1nnc(CNC(=O)c2c([O-])cccc2O)o1 ZINC000678343548 488243413 /nfs/dbraw/zinc/24/34/13/488243413.db2.gz UMUSEYJOJWVKLR-UHFFFAOYSA-N -1 3 249.226 0.719 20 0 BCADHM Cc1ccc([O-])c(NC(=O)Cn2cncn2)n1 ZINC000684064273 488259120 /nfs/dbraw/zinc/25/91/20/488259120.db2.gz WWKHRYUZSFVEDX-UHFFFAOYSA-N -1 3 233.231 0.326 20 0 BCADHM CC(C)N(C)CC(=O)N(C)Cc1n[n-]c(=O)o1 ZINC000673478654 488289592 /nfs/dbraw/zinc/28/95/92/488289592.db2.gz CFKSYQKHZJCMLO-UHFFFAOYSA-N -1 3 242.279 0.074 20 0 BCADHM CCOCCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673545625 488295588 /nfs/dbraw/zinc/29/55/88/488295588.db2.gz DHDNZHWWMGUTMV-UHFFFAOYSA-N -1 3 241.291 0.185 20 0 BCADHM Cc1[nH]ccc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673546587 488295705 /nfs/dbraw/zinc/29/57/05/488295705.db2.gz QUGVSRGWKXGSGA-UHFFFAOYSA-N -1 3 248.286 0.709 20 0 BCADHM Cc1ccoc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673544716 488295712 /nfs/dbraw/zinc/29/57/12/488295712.db2.gz FEWUAYWXEZBPET-UHFFFAOYSA-N -1 3 249.270 0.974 20 0 BCADHM CN1CC[C@@H](NC(=O)c2cccc([O-])c2)CC1=O ZINC000684488167 488321209 /nfs/dbraw/zinc/32/12/09/488321209.db2.gz YTEJAXNGFPXGFX-SNVBAGLBSA-N -1 3 248.282 0.743 20 0 BCADHM CC(C)c1nc(S(=O)(=O)[N-]C[C@H](C)O)c[nH]1 ZINC000123059451 490193400 /nfs/dbraw/zinc/19/34/00/490193400.db2.gz DCPCVAZWMJTOTB-ZETCQYMHSA-N -1 3 247.320 0.192 20 0 BCADHM CCN(Cc1nc(=O)n(C)[n-]1)[C@H](C)C(C)C ZINC000347396152 490392561 /nfs/dbraw/zinc/39/25/61/490392561.db2.gz FGIMSUSEVRRROR-SECBINFHSA-N -1 3 226.324 0.975 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cocn1 ZINC000131428271 490637769 /nfs/dbraw/zinc/63/77/69/490637769.db2.gz MLMAKELQUBSEIA-UHFFFAOYSA-N -1 3 236.187 0.437 20 0 BCADHM C[C@@](O)(CO)CNCc1cccc([O-])c1Cl ZINC000393407144 490682743 /nfs/dbraw/zinc/68/27/43/490682743.db2.gz ZSJSLHXVQGOCIA-NSHDSACASA-N -1 3 245.706 0.879 20 0 BCADHM O=C([O-])c1cnccc1NCC(F)(F)CO ZINC000228776796 491112180 /nfs/dbraw/zinc/11/21/80/491112180.db2.gz SDWDUIYKMFAAOB-UHFFFAOYSA-N -1 3 232.186 0.819 20 0 BCADHM Cn1nncc1CNC(=O)c1cccc([O-])c1 ZINC000394976570 491122802 /nfs/dbraw/zinc/12/28/02/491122802.db2.gz XVTBJYDOJSLMAA-UHFFFAOYSA-N -1 3 232.243 0.451 20 0 BCADHM O=C([O-])[C@@H](C1CC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085540637 491123382 /nfs/dbraw/zinc/12/33/82/491123382.db2.gz YKSUGTZTSFLVIY-KXUCPTDWSA-N -1 3 211.261 0.713 20 0 BCADHM O=C(NCC1(O)CCC1)c1ccc2n[n-]nc2c1 ZINC000081431433 491134816 /nfs/dbraw/zinc/13/48/16/491134816.db2.gz SKDBHIZBHCWFGA-UHFFFAOYSA-N -1 3 246.270 0.603 20 0 BCADHM COC(=O)N(C)CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000496168066 533849046 /nfs/dbraw/zinc/84/90/46/533849046.db2.gz GYDFOERXFCYQAJ-ZCFIWIBFSA-N -1 3 245.304 0.292 20 0 BCADHM C[C@H](CO)NC(=O)/C=C/c1cncc([O-])c1 ZINC000493465924 534129433 /nfs/dbraw/zinc/12/94/33/534129433.db2.gz RGIUTMPFWVANDK-UFUPEUMYSA-N -1 3 222.244 0.297 20 0 BCADHM C[C@@H]1OC(=O)N[C@H]1C(=O)Nc1ncccc1[O-] ZINC000496568475 534147125 /nfs/dbraw/zinc/14/71/25/534147125.db2.gz HGPILUVOMSJBSK-CAHLUQPWSA-N -1 3 237.215 0.223 20 0 BCADHM NC(=O)CO[N-]C(=O)/C=C\C1CCCC1 ZINC000493625520 534333361 /nfs/dbraw/zinc/33/33/61/534333361.db2.gz VRVIEMVEOGNSEJ-WAYWQWQTSA-N -1 3 212.249 0.266 20 0 BCADHM Cc1cnc(C(=O)NC[C@@H](C)N(C)C)c([O-])c1 ZINC000495020132 534530000 /nfs/dbraw/zinc/53/00/00/534530000.db2.gz RJTXGFPMWIXJEI-SECBINFHSA-N -1 3 237.303 0.776 20 0 BCADHM CC(C)(O)CO[N-]C(=O)/C=C\c1ccc[nH]1 ZINC000493608035 527351803 /nfs/dbraw/zinc/35/18/03/527351803.db2.gz BPIZXEOYRZJALW-WAYWQWQTSA-N -1 3 224.260 0.847 20 0 BCADHM CCC(=O)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492598537 528291385 /nfs/dbraw/zinc/29/13/85/528291385.db2.gz VJDWERYHRMFFIC-ARJAWSKDSA-N -1 3 234.255 0.896 20 0 BCADHM CCOC=CC(=O)Nc1nnc(OC)[n-]1 ZINC000493547134 528542311 /nfs/dbraw/zinc/54/23/11/528542311.db2.gz FBRFHPQTTRSLFN-PLNGDYQASA-N -1 3 212.209 0.302 20 0 BCADHM CCOC=CC(=O)Nc1n[n-]c(OC)n1 ZINC000493547134 528542315 /nfs/dbraw/zinc/54/23/15/528542315.db2.gz FBRFHPQTTRSLFN-PLNGDYQASA-N -1 3 212.209 0.302 20 0 BCADHM CCO/C=C\C(=O)Nc1nc(OC)n[n-]1 ZINC000493547134 528542317 /nfs/dbraw/zinc/54/23/17/528542317.db2.gz FBRFHPQTTRSLFN-PLNGDYQASA-N -1 3 212.209 0.302 20 0 BCADHM CCCN(C)CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000262243774 535253655 /nfs/dbraw/zinc/25/36/55/535253655.db2.gz PGXLFEJRAJOWRL-JTQLQIEISA-N -1 3 244.335 0.944 20 0 BCADHM CC1(C)CN(c2nc3nncc-3c(O)[n-]2)CCO1 ZINC000302266358 535359894 /nfs/dbraw/zinc/35/98/94/535359894.db2.gz FRMVBAHCTLXASD-UHFFFAOYSA-N -1 3 249.274 0.674 20 0 BCADHM CCOCC[N-]S(=O)(=O)c1ccccn1 ZINC000340083338 535625803 /nfs/dbraw/zinc/62/58/03/535625803.db2.gz PLFHZPRUJAIWAM-UHFFFAOYSA-N -1 3 230.289 0.396 20 0 BCADHM COC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000334278224 536813810 /nfs/dbraw/zinc/81/38/10/536813810.db2.gz DUACXZWQBGNLSN-LBPRGKRZSA-N -1 3 248.238 0.528 20 0 BCADHM CCOCn1cc(Cl)c(=O)[n-]c1=O ZINC000085633019 537972812 /nfs/dbraw/zinc/97/28/12/537972812.db2.gz GMTFEKXURDYSPL-UHFFFAOYSA-N -1 3 204.613 0.184 20 0 BCADHM COCC1=CCN(c2cc(=O)[n-]cn2)CC1 ZINC000893251050 583078168 /nfs/dbraw/zinc/07/81/68/583078168.db2.gz GGXHXERKJGVFTL-UHFFFAOYSA-N -1 3 221.260 0.965 20 0 BCADHM CN1CN(Cc2ccc([O-])c(F)c2)CC1=O ZINC000893480568 583151414 /nfs/dbraw/zinc/15/14/14/583151414.db2.gz BGTBKQXGRKQKTA-UHFFFAOYSA-N -1 3 224.235 0.763 20 0 BCADHM C[C@@H](CNC(=O)NCCC(=O)[O-])N(C)C1CC1 ZINC000220095899 583176031 /nfs/dbraw/zinc/17/60/31/583176031.db2.gz MUUCOYMMELLWPV-QMMMGPOBSA-N -1 3 243.307 0.243 20 0 BCADHM O=c1cc(N2CC[C@H](CCCO)C2)nc[n-]1 ZINC000894135910 583314169 /nfs/dbraw/zinc/31/41/69/583314169.db2.gz XYWZNBHHSFGGOL-VIFPVBQESA-N -1 3 223.276 0.781 20 0 BCADHM O=C(OCCOC(F)F)c1cnn[n-]1 ZINC000853917913 588768927 /nfs/dbraw/zinc/76/89/27/588768927.db2.gz FENFBANWBXBHSC-UHFFFAOYSA-N -1 3 207.136 0.201 20 0 BCADHM O=C(OCCOC(F)F)c1c[n-]nn1 ZINC000853917913 588768928 /nfs/dbraw/zinc/76/89/28/588768928.db2.gz FENFBANWBXBHSC-UHFFFAOYSA-N -1 3 207.136 0.201 20 0 BCADHM CCOC=CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854483421 588789309 /nfs/dbraw/zinc/78/93/09/588789309.db2.gz DNFQYXMZBSATPN-ALCCZGGFSA-N -1 3 239.275 0.309 20 0 BCADHM CC=C(C)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854486077 588789351 /nfs/dbraw/zinc/78/93/51/588789351.db2.gz LVDMWRUSCFQLCL-FPYGCLRLSA-N -1 3 223.276 0.725 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@@](C)(O)C2CC2)CC1 ZINC000854357920 588784764 /nfs/dbraw/zinc/78/47/64/588784764.db2.gz MYRNTUBSYPKVCF-LBPRGKRZSA-N -1 3 242.319 0.289 20 0 BCADHM CC(C)[C@](C)(O)C(=O)[N-]OC1CCN(C)CC1 ZINC000854357386 588784835 /nfs/dbraw/zinc/78/48/35/588784835.db2.gz CHSXEMNGLGLLDU-LBPRGKRZSA-N -1 3 244.335 0.535 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H](C)C(=O)NCCF ZINC000854343556 588784852 /nfs/dbraw/zinc/78/48/52/588784852.db2.gz JZZFNKRPVIGZKX-ZCFIWIBFSA-N -1 3 240.225 0.622 20 0 BCADHM CN(C(=O)/C=C\c1cncc([O-])c1)C1(CO)CC1 ZINC000854436201 588786941 /nfs/dbraw/zinc/78/69/41/588786941.db2.gz SNQJQHBPYBWFFJ-IHWYPQMZSA-N -1 3 248.282 0.784 20 0 BCADHM COC(OC)[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000854462296 588787707 /nfs/dbraw/zinc/78/77/07/588787707.db2.gz HQXQKBVTDREKDR-YFKPBYRVSA-N -1 3 246.288 0.586 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)C1=COCC1 ZINC000854487239 588789193 /nfs/dbraw/zinc/78/91/93/588789193.db2.gz JBAXBDPFIBSYNO-UHFFFAOYSA-N -1 3 237.259 0.063 20 0 BCADHM CCn1ncn([N-]C(=O)[C@H](C)C(C)(F)F)c1=O ZINC000854628441 588798026 /nfs/dbraw/zinc/79/80/26/588798026.db2.gz YQRMBMQNQXAQBU-LURJTMIESA-N -1 3 248.233 0.426 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCOCCN1 ZINC000854691585 588801931 /nfs/dbraw/zinc/80/19/31/588801931.db2.gz OVJDJBRKXIKOOE-UPHRSURJSA-N -1 3 249.270 0.164 20 0 BCADHM C[C@@H](C(=O)[N-]OCCN(C)C)c1cncnc1 ZINC000854945745 588818058 /nfs/dbraw/zinc/81/80/58/588818058.db2.gz ZNKMXUVDJCLAAE-SECBINFHSA-N -1 3 238.291 0.190 20 0 BCADHM CC(=O)CCCC(=O)[N-]OCCN(C)C ZINC000854947420 588818241 /nfs/dbraw/zinc/81/82/41/588818241.db2.gz VOJAZZKUXBJDAG-UHFFFAOYSA-N -1 3 216.281 0.355 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC[C@H](O)[C@H](F)C1 ZINC000890711782 582511448 /nfs/dbraw/zinc/51/14/48/582511448.db2.gz QSPKVVHQLMHFSV-MNOVXSKESA-N -1 3 239.246 0.937 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@H]1C[C@@]12CCOC2 ZINC000812810015 582567140 /nfs/dbraw/zinc/56/71/40/582567140.db2.gz PFRUGRVTJYJWJA-ZYHUDNBSSA-N -1 3 243.303 0.886 20 0 BCADHM COCCN(CCF)C(=O)c1csc(=O)[n-]1 ZINC000855592930 588840819 /nfs/dbraw/zinc/84/08/19/588840819.db2.gz ZZCGEAHJAHFRAA-UHFFFAOYSA-N -1 3 248.279 0.907 20 0 BCADHM CCn1nnnc1[N-]C(=O)c1ocnc1C1CC1 ZINC000891341067 582666981 /nfs/dbraw/zinc/66/69/81/582666981.db2.gz YSPVLNFUHPLOKE-UHFFFAOYSA-N -1 3 248.246 0.811 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000891339478 582667240 /nfs/dbraw/zinc/66/72/40/582667240.db2.gz BZMGRSQGCYEPJC-SFYZADRCSA-N -1 3 221.264 0.678 20 0 BCADHM CC[C@@H]1CC[C@H](C(=O)[N-]c2nnnn2CC)O1 ZINC000891340931 582667495 /nfs/dbraw/zinc/66/74/95/582667495.db2.gz VIKDLUBUSKVLRH-HTQZYQBOSA-N -1 3 239.279 0.589 20 0 BCADHM CCn1nnnc1[N-]C(=O)/C=C/SC ZINC000891341300 582667753 /nfs/dbraw/zinc/66/77/53/582667753.db2.gz XRDSLJLIUQVPOG-SNAWJCMRSA-N -1 3 213.266 0.508 20 0 BCADHM CCn1nnnc1[N-]C(=O)CC[C@@H]1CCOC1 ZINC000891341125 582667758 /nfs/dbraw/zinc/66/77/58/582667758.db2.gz VKWHSVOOSZTXCG-MRVPVSSYSA-N -1 3 239.279 0.448 20 0 BCADHM C[C@]1(C(=O)Nc2ncccc2[O-])CCNC(=O)C1 ZINC000891685595 582710531 /nfs/dbraw/zinc/71/05/31/582710531.db2.gz REBCYCOJKJPOHG-LBPRGKRZSA-N -1 3 249.270 0.642 20 0 BCADHM C[C@@H]1CC[C@H](C(N)=O)CN1c1cc(=O)[n-]cn1 ZINC000891892152 582735763 /nfs/dbraw/zinc/73/57/63/582735763.db2.gz CMZVFNMHEVMDJP-SFYZADRCSA-N -1 3 236.275 0.272 20 0 BCADHM NC(=O)c1csc(C[N-]C(=O)C(F)F)n1 ZINC000855873352 588852436 /nfs/dbraw/zinc/85/24/36/588852436.db2.gz UKPMBGWASGEPGE-UHFFFAOYSA-N -1 3 235.215 0.123 20 0 BCADHM O=C([N-]OCCN1CCCC1=O)C1CC=CC1 ZINC000856041161 588858275 /nfs/dbraw/zinc/85/82/75/588858275.db2.gz ULMGUOAHSCILND-UHFFFAOYSA-N -1 3 238.287 0.623 20 0 BCADHM O=c1cc(NCCOC[C@H]2CCOC2)nc[n-]1 ZINC000892443656 582888337 /nfs/dbraw/zinc/88/83/37/582888337.db2.gz ICPWBGJEMYAOMK-VIFPVBQESA-N -1 3 239.275 0.647 20 0 BCADHM C[C@H](O)C1(NC(=O)/C=C\c2cncc([O-])c2)CC1 ZINC000856128902 588861901 /nfs/dbraw/zinc/86/19/01/588861901.db2.gz OSYKWDHUFYKZCY-XADBCAIWSA-N -1 3 248.282 0.830 20 0 BCADHM CCn1cnnc1CCNc1cc(=O)[n-]cn1 ZINC000892583706 582921493 /nfs/dbraw/zinc/92/14/93/582921493.db2.gz DHQDTUAEMUFINJ-UHFFFAOYSA-N -1 3 234.263 0.448 20 0 BCADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])C(C)(C)O ZINC000394008716 582938746 /nfs/dbraw/zinc/93/87/46/582938746.db2.gz GFHFFGSDSONMNT-SSDOTTSWSA-N -1 3 239.271 0.987 20 0 BCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)[N-]OCC1CCC1 ZINC000856351355 588870071 /nfs/dbraw/zinc/87/00/71/588870071.db2.gz FEWRKKXQSQIFNE-IUCAKERBSA-N -1 3 226.276 0.346 20 0 BCADHM CCOC(=O)[C@@H](C)CNc1cc(=O)[n-]cn1 ZINC000892848446 582994769 /nfs/dbraw/zinc/99/47/69/582994769.db2.gz SROOWUPCAKQRFB-ZETCQYMHSA-N -1 3 225.248 0.793 20 0 BCADHM O=C([N-][C@H]1C[C@H](O)C1)C(F)(F)c1nccs1 ZINC000856395596 588871413 /nfs/dbraw/zinc/87/14/13/588871413.db2.gz UQGVFCQTLKGZJO-IZLXSQMJSA-N -1 3 248.254 0.874 20 0 BCADHM CC[C@]1(O)CCN(c2cc(=O)[n-]c(C)n2)C1 ZINC000893279836 583083197 /nfs/dbraw/zinc/08/31/97/583083197.db2.gz RZXVANCFJFVMHX-NSHDSACASA-N -1 3 223.276 0.842 20 0 BCADHM O=C(C[C@@H]1CCC(=O)NC1)[N-]OCC1CCC1 ZINC000856345066 588868465 /nfs/dbraw/zinc/86/84/65/588868465.db2.gz WHWAWYFMCLARRU-JTQLQIEISA-N -1 3 240.303 0.751 20 0 BCADHM O=C(CCc1nnc[nH]1)[N-]OCC1CCC1 ZINC000856348130 588869132 /nfs/dbraw/zinc/86/91/32/588869132.db2.gz QMPIXPFEQPVJHO-UHFFFAOYSA-N -1 3 224.264 0.585 20 0 BCADHM CNC(=O)CCCC(=O)[N-]OCC1CCC1 ZINC000856349340 588869461 /nfs/dbraw/zinc/86/94/61/588869461.db2.gz DIULBCMJQLVBIQ-UHFFFAOYSA-N -1 3 228.292 0.751 20 0 BCADHM O=C(NCc1cn[nH]n1)c1cc(F)ccc1[O-] ZINC000398358486 583128535 /nfs/dbraw/zinc/12/85/35/583128535.db2.gz IQANJKLQZWWSOS-UHFFFAOYSA-N -1 3 236.206 0.579 20 0 BCADHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)[N-]OC(C)(C)CO ZINC000857285087 583136911 /nfs/dbraw/zinc/13/69/11/583136911.db2.gz XYUGDQLAGUOWSD-DTWKUNHWSA-N -1 3 243.303 0.810 20 0 BCADHM Cc1nn(C)cc1CC(=O)[N-]OC(C)C ZINC000857522303 583144663 /nfs/dbraw/zinc/14/46/63/583144663.db2.gz FOLZWMQZBADDAO-UHFFFAOYSA-N -1 3 211.265 0.727 20 0 BCADHM CN1CC2(C1)CCN(C(=O)c1ncccc1[O-])C2 ZINC000398658720 583159999 /nfs/dbraw/zinc/15/99/99/583159999.db2.gz BRKHRVMNZNUKOX-UHFFFAOYSA-N -1 3 247.298 0.565 20 0 BCADHM CCN(CC)C(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])C1 ZINC000218292376 583172991 /nfs/dbraw/zinc/17/29/91/583172991.db2.gz KZEFHPUVLMETRT-VHSXEESVSA-N -1 3 242.319 0.650 20 0 BCADHM O=c1cc(NCCS(=O)(=O)C2CC2)nc[n-]1 ZINC000894201660 583339059 /nfs/dbraw/zinc/33/90/59/583339059.db2.gz FREJKAXDSNWBPP-UHFFFAOYSA-N -1 3 243.288 0.171 20 0 BCADHM COCCCN1CCC(NC(=O)[O-])CC1 ZINC000737763013 583345175 /nfs/dbraw/zinc/34/51/75/583345175.db2.gz QIIOCRBWQUZOJU-UHFFFAOYSA-N -1 3 216.281 0.755 20 0 BCADHM Fc1ccc(Cn2cncn2)c(-c2nnn[n-]2)c1 ZINC000737660275 583353152 /nfs/dbraw/zinc/35/31/52/583353152.db2.gz PNAQWJIHZHLDLV-UHFFFAOYSA-N -1 3 245.221 0.646 20 0 BCADHM Fc1ccc(Cn2cncn2)c(-c2nn[n-]n2)c1 ZINC000737660275 583353154 /nfs/dbraw/zinc/35/31/54/583353154.db2.gz PNAQWJIHZHLDLV-UHFFFAOYSA-N -1 3 245.221 0.646 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccc(N)cc2[O-])[C@H](C)CN1 ZINC000841849378 583367061 /nfs/dbraw/zinc/36/70/61/583367061.db2.gz PQTDTPCKBOIINA-RKDXNWHRSA-N -1 3 249.314 0.797 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C[C@@H]1CCCOC1 ZINC000857284821 588903325 /nfs/dbraw/zinc/90/33/25/588903325.db2.gz SOEIJPYCKODEPU-VIFPVBQESA-N -1 3 231.292 0.622 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@@H]1CCSC1 ZINC000857284858 588903408 /nfs/dbraw/zinc/90/34/08/588903408.db2.gz VBKZOWAIPGUMII-SSDOTTSWSA-N -1 3 219.306 0.558 20 0 BCADHM Cn1ncc(C(=O)[N-]OC(C)(C)CO)c1Cl ZINC000857283214 588902266 /nfs/dbraw/zinc/90/22/66/588902266.db2.gz ABQPAPMNBYSNTA-UHFFFAOYSA-N -1 3 247.682 0.506 20 0 BCADHM O=C(NN1CCCC1)c1cc(F)c[n-]c1=O ZINC000857283510 588902606 /nfs/dbraw/zinc/90/26/06/588902606.db2.gz JLEAIUPWXOUQEJ-UHFFFAOYSA-N -1 3 225.223 0.667 20 0 BCADHM Cc1nc(N[C@H]2C[C@@](C)(O)C2)cc(=O)[n-]1 ZINC000894232091 583385516 /nfs/dbraw/zinc/38/55/16/583385516.db2.gz BYPBTSKHCOGYHK-WKFQBHICSA-N -1 3 209.249 0.816 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C1=COCCC1 ZINC000857284475 588903036 /nfs/dbraw/zinc/90/30/36/588903036.db2.gz ACKWOLKBPLQHML-UHFFFAOYSA-N -1 3 215.249 0.499 20 0 BCADHM C[C@@H]1COCC[C@H]1C(=O)[N-]OC(C)(C)CO ZINC000857284288 588903104 /nfs/dbraw/zinc/90/31/04/588903104.db2.gz FNQOIBJKEIQNLY-RKDXNWHRSA-N -1 3 231.292 0.478 20 0 BCADHM COc1ccnc(NCc2nc(C)cc(=O)[n-]2)n1 ZINC000894377465 583441636 /nfs/dbraw/zinc/44/16/36/583441636.db2.gz OWTMXGZKCMWPMW-UHFFFAOYSA-N -1 3 247.258 0.901 20 0 BCADHM CO[C@H](C)CC(=O)[N-]OC(C)(C)CO ZINC000857284882 588903786 /nfs/dbraw/zinc/90/37/86/588903786.db2.gz JYLRNHDJBBARRD-SSDOTTSWSA-N -1 3 205.254 0.230 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCc1ccccn1 ZINC000857285026 588903794 /nfs/dbraw/zinc/90/37/94/588903794.db2.gz WRNUFXBOOVZNCG-UHFFFAOYSA-N -1 3 238.287 0.833 20 0 BCADHM COCCCCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000857286422 588903890 /nfs/dbraw/zinc/90/38/90/588903890.db2.gz AJIUAQIXBKRGGQ-JTQLQIEISA-N -1 3 233.308 0.868 20 0 BCADHM CO[C@H](CNc1cc(=O)[n-]cn1)[C@@H]1CCOC1 ZINC000894482657 583469323 /nfs/dbraw/zinc/46/93/23/583469323.db2.gz DNPCTGPCMAWITR-RKDXNWHRSA-N -1 3 239.275 0.646 20 0 BCADHM Cc1nc(N2CC[C@@H](O)C(F)(F)C2)cc(=O)[n-]1 ZINC000894523101 583477791 /nfs/dbraw/zinc/47/77/91/583477791.db2.gz CFPVXTLDOMDJAH-SSDOTTSWSA-N -1 3 245.229 0.697 20 0 BCADHM Cc1nc(N2CCC[C@@H]2[C@H](C)O)cc(=O)[n-]1 ZINC000894573334 583487046 /nfs/dbraw/zinc/48/70/46/583487046.db2.gz WXYJLNZYYXCSFB-IONNQARKSA-N -1 3 223.276 0.840 20 0 BCADHM O=c1cc(N[C@H]2C[C@@H](O)C23CCC3)nc[n-]1 ZINC000894576566 583487757 /nfs/dbraw/zinc/48/77/57/583487757.db2.gz DBIPHMNJDFFBII-JGVFFNPUSA-N -1 3 221.260 0.898 20 0 BCADHM CC(=O)N1CC[C@@H](Nc2cc(=O)[n-]c(C)n2)C1 ZINC000894676358 583504074 /nfs/dbraw/zinc/50/40/74/583504074.db2.gz NMRNHMQQUQLYAN-SECBINFHSA-N -1 3 236.275 0.523 20 0 BCADHM COC[C@]1(C)CN(c2cc(=O)[n-]cn2)CCO1 ZINC000894837011 583529298 /nfs/dbraw/zinc/52/92/98/583529298.db2.gz RTNPTWNPICDLOR-NSHDSACASA-N -1 3 239.275 0.424 20 0 BCADHM COCC1(O)CN(Cc2ccc([O-])c(F)c2)C1 ZINC000894841559 583529956 /nfs/dbraw/zinc/52/99/56/583529956.db2.gz XWAUGWUNZPZRCN-UHFFFAOYSA-N -1 3 241.262 0.724 20 0 BCADHM CCO[N-]C(=O)C1CN(C2CCOCC2)C1 ZINC000895527246 583684368 /nfs/dbraw/zinc/68/43/68/583684368.db2.gz XWAKQBJAEAVNGV-UHFFFAOYSA-N -1 3 228.292 0.165 20 0 BCADHM C[C@@H]1COCCN(c2nc3nncc-3c(O)[n-]2)C1 ZINC000895778911 583726759 /nfs/dbraw/zinc/72/67/59/583726759.db2.gz BEHPHYJJXXRYJY-ZETCQYMHSA-N -1 3 249.274 0.531 20 0 BCADHM CCS(=O)(=O)[N-][C@H](C)c1nc(N(C)C)no1 ZINC000896174179 583778494 /nfs/dbraw/zinc/77/84/94/583778494.db2.gz NREPUSDZFWZBPA-ZCFIWIBFSA-N -1 3 248.308 0.136 20 0 BCADHM Cc1nc(NCCO[C@H]2CCOC2)cc(=O)[n-]1 ZINC000896472181 583803284 /nfs/dbraw/zinc/80/32/84/583803284.db2.gz KAMVMNIFLFKMLI-VIFPVBQESA-N -1 3 239.275 0.708 20 0 BCADHM Cc1nc(CNC(=O)c2c[n-]nn2)[nH]c1C ZINC000896922873 583856744 /nfs/dbraw/zinc/85/67/44/583856744.db2.gz FEHYNZQUSHHDES-UHFFFAOYSA-N -1 3 220.236 0.075 20 0 BCADHM Cc1nc(CNC(=O)c2cnn[n-]2)[nH]c1C ZINC000896922873 583856746 /nfs/dbraw/zinc/85/67/46/583856746.db2.gz FEHYNZQUSHHDES-UHFFFAOYSA-N -1 3 220.236 0.075 20 0 BCADHM Cc1nc(CNC(=O)c2cn[n-]n2)[nH]c1C ZINC000896922873 583856748 /nfs/dbraw/zinc/85/67/48/583856748.db2.gz FEHYNZQUSHHDES-UHFFFAOYSA-N -1 3 220.236 0.075 20 0 BCADHM CO[N-]C(=O)CN[C@H](C)[C@H]1CC1(F)F ZINC000896924439 583857652 /nfs/dbraw/zinc/85/76/52/583857652.db2.gz MOIKHACKRZRFRE-PHDIDXHHSA-N -1 3 208.208 0.297 20 0 BCADHM CO[N-]C(=O)CN[C@H](C)CSCCF ZINC000896924098 583858659 /nfs/dbraw/zinc/85/86/59/583858659.db2.gz KELGJQKFPNFZHH-SSDOTTSWSA-N -1 3 224.301 0.345 20 0 BCADHM CCOC(=O)CC(C)(C)CNCC(=O)[N-]OC ZINC000896926703 583860302 /nfs/dbraw/zinc/86/03/02/583860302.db2.gz KXBITFNSCDOBOH-UHFFFAOYSA-N -1 3 246.307 0.233 20 0 BCADHM OC[C@@H]1CCC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000896961936 583865243 /nfs/dbraw/zinc/86/52/43/583865243.db2.gz NGDCFSDMZUVBQZ-CBAPKCEASA-N -1 3 233.275 0.299 20 0 BCADHM Cn1ncc2c1nc(SC1COC1)[n-]c2=O ZINC000896961344 583865571 /nfs/dbraw/zinc/86/55/71/583865571.db2.gz ZCRYRLWRCNCLPZ-UHFFFAOYSA-N -1 3 238.272 0.560 20 0 BCADHM COCCOC[C@H](C)NCc1cncc([O-])c1 ZINC000897304899 583913133 /nfs/dbraw/zinc/91/31/33/583913133.db2.gz KWBHTNBDVDKKGZ-JTQLQIEISA-N -1 3 240.303 0.928 20 0 BCADHM CC[C@H](O)CN1CCCN(C(=O)[O-])CC1 ZINC000737787374 583920459 /nfs/dbraw/zinc/92/04/59/583920459.db2.gz RVSIHVUYSAGSCF-VIFPVBQESA-N -1 3 216.281 0.443 20 0 BCADHM CN(C)CCNc1cc(Cl)[n-]c(=O)n1 ZINC000858309533 588943930 /nfs/dbraw/zinc/94/39/30/588943930.db2.gz DDCUZVKTWQVQGF-UHFFFAOYSA-N -1 3 216.672 0.809 20 0 BCADHM O=C(O[C@@H]1CCOC1=O)c1ccc([O-])cc1 ZINC000005061089 583943085 /nfs/dbraw/zinc/94/30/85/583943085.db2.gz RURRJMZTBADEON-SECBINFHSA-N -1 3 222.196 0.865 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]1CO ZINC000889159322 583982939 /nfs/dbraw/zinc/98/29/39/583982939.db2.gz DSEODTWYFGHJHU-SECBINFHSA-N -1 3 221.256 0.907 20 0 BCADHM CC1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000897578243 584020075 /nfs/dbraw/zinc/02/00/75/584020075.db2.gz NMBGDDHZRRHEMF-UHFFFAOYSA-N -1 3 244.258 0.354 20 0 BCADHM CC1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000897578243 584020077 /nfs/dbraw/zinc/02/00/77/584020077.db2.gz NMBGDDHZRRHEMF-UHFFFAOYSA-N -1 3 244.258 0.354 20 0 BCADHM C[C@@H]1CO[C@@H](C(=O)[N-]c2nncn2C2CC2)C1 ZINC000897695162 584040851 /nfs/dbraw/zinc/04/08/51/584040851.db2.gz XRSLRGYWGPZMDW-IONNQARKSA-N -1 3 236.275 0.977 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897755469 584044165 /nfs/dbraw/zinc/04/41/65/584044165.db2.gz KRANLNCOSMYTOM-JTQLQIEISA-N -1 3 244.335 0.944 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OC/C=C\Cl ZINC000897806448 584050074 /nfs/dbraw/zinc/05/00/74/584050074.db2.gz USWLRXURNVIIEC-OCVLADFVSA-N -1 3 233.651 0.596 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC000897828048 584052176 /nfs/dbraw/zinc/05/21/76/584052176.db2.gz PEDWFLUBCQUZNG-HLTSFMKQSA-N -1 3 229.276 0.889 20 0 BCADHM CO[C@@]1(C(=O)[N-]OCCN(C)C)CCSC1 ZINC000897877753 584057085 /nfs/dbraw/zinc/05/70/85/584057085.db2.gz STLFTJKJXBNVAV-JTQLQIEISA-N -1 3 248.348 0.118 20 0 BCADHM Cc1cc(CN2CC3(C2)NC(=O)[N-]C3=O)c(C)o1 ZINC000897905235 584060122 /nfs/dbraw/zinc/06/01/22/584060122.db2.gz GULHNVXGPMXREO-UHFFFAOYSA-N -1 3 249.270 0.290 20 0 BCADHM O=C(c1ccon1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898210009 584092203 /nfs/dbraw/zinc/09/22/03/584092203.db2.gz ALVXOUUJZNDAEC-ZETCQYMHSA-N -1 3 248.242 0.733 20 0 BCADHM O=C(c1ncc[nH]1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221325 584093429 /nfs/dbraw/zinc/09/34/29/584093429.db2.gz JZIHOUVYIKAIMT-SSDOTTSWSA-N -1 3 247.258 0.468 20 0 BCADHM CCc1ccc(CC(=O)[N-]OCCO)cc1 ZINC000787282149 584117570 /nfs/dbraw/zinc/11/75/70/584117570.db2.gz IZYHEWFWFIGEII-UHFFFAOYSA-N -1 3 223.272 0.832 20 0 BCADHM C[C@H]1C(=O)CC[C@H](C(=O)[N-]OCCO)C1(C)C ZINC000787294425 584118209 /nfs/dbraw/zinc/11/82/09/584118209.db2.gz OPWPUUHDUCCBIL-DTWKUNHWSA-N -1 3 243.303 0.668 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccccn1 ZINC000898727952 584155863 /nfs/dbraw/zinc/15/58/63/584155863.db2.gz FHSIHDOXWMYFGE-SECBINFHSA-N -1 3 246.270 0.323 20 0 BCADHM C[C@@H](C(=O)NCCCc1c[n-][nH]c1=O)C1CC1 ZINC000898731732 584155878 /nfs/dbraw/zinc/15/58/78/584155878.db2.gz GIXMNLSROWHEQL-SCZZXKLOSA-N -1 3 237.303 0.661 20 0 BCADHM CC(C)[C@@H](C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898733674 584155881 /nfs/dbraw/zinc/15/58/81/584155881.db2.gz TWFWUNMQKSZJJO-ZJUUUORDSA-N -1 3 239.319 0.907 20 0 BCADHM CC(C)CC(=O)NCCCc1c[n-][nH]c1=O ZINC000898728221 584155893 /nfs/dbraw/zinc/15/58/93/584155893.db2.gz HSFLCAPHTIXDPK-SECBINFHSA-N -1 3 225.292 0.661 20 0 BCADHM Cc1ccoc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898729514 584156054 /nfs/dbraw/zinc/15/60/54/584156054.db2.gz SKYHJXOUAVUSFN-SECBINFHSA-N -1 3 249.270 0.830 20 0 BCADHM O=C([N-]OCCO)c1cncc(F)c1Cl ZINC000898938869 584166983 /nfs/dbraw/zinc/16/69/83/584166983.db2.gz BFMOAVMFEXJKKC-UHFFFAOYSA-N -1 3 234.614 0.528 20 0 BCADHM O=C(/C=C\C=C(Cl)Cl)[N-]OCCO ZINC000898939783 584167644 /nfs/dbraw/zinc/16/76/44/584167644.db2.gz WRIIVGNQASAZIM-IWQZZHSRSA-N -1 3 226.059 0.902 20 0 BCADHM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)[N-]OCCO ZINC000898939219 584167669 /nfs/dbraw/zinc/16/76/69/584167669.db2.gz LQOJAFUKIXODNA-OIBJUYFYSA-N -1 3 239.275 0.116 20 0 BCADHM CC[C@H](C)CON=c1nc(N)nc(N)[n-]1 ZINC000858551520 588964717 /nfs/dbraw/zinc/96/47/17/588964717.db2.gz IKAFFPFHZVNUIA-YFKPBYRVSA-N -1 3 212.257 0.426 20 0 BCADHM C[C@@H](CO)n1[n-]cc2c(=O)ccc(F)c-2c1=O ZINC000899353239 584200588 /nfs/dbraw/zinc/20/05/88/584200588.db2.gz KHAIBIHLWFLHFG-LURJTMIESA-N -1 3 238.218 0.795 20 0 BCADHM C[C@@H](CO)n1ncc2c([O-])ccc(F)c2c1=O ZINC000899353239 584200590 /nfs/dbraw/zinc/20/05/90/584200590.db2.gz KHAIBIHLWFLHFG-LURJTMIESA-N -1 3 238.218 0.795 20 0 BCADHM Cc1ccc(NC(=O)[C@H](O)C(C)(C)O)c([O-])c1 ZINC000899942175 584258722 /nfs/dbraw/zinc/25/87/22/584258722.db2.gz OSJHABKBUGHXCF-JTQLQIEISA-N -1 3 239.271 0.771 20 0 BCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000900002756 584263110 /nfs/dbraw/zinc/26/31/10/584263110.db2.gz YXVKPQZSQDKEGC-ZJUUUORDSA-N -1 3 234.255 0.356 20 0 BCADHM CC[C@H](O)[C@@H](C)C(=O)[N-]C1=NCCS1 ZINC000900005831 584264398 /nfs/dbraw/zinc/26/43/98/584264398.db2.gz KLICURAFLLLCNF-RQJHMYQMSA-N -1 3 216.306 0.612 20 0 BCADHM CN(CC1CN(C)C1)c1cc(Cl)[n-]c(=O)n1 ZINC000858626053 588972115 /nfs/dbraw/zinc/97/21/15/588972115.db2.gz LZEWBRQESWOYKD-UHFFFAOYSA-N -1 3 242.710 0.833 20 0 BCADHM CN(CC(=O)[O-])C(=O)[C@@H](N)C1CCCCCC1 ZINC000900453764 584313110 /nfs/dbraw/zinc/31/31/10/584313110.db2.gz MMWXRQYKMVCPSJ-NSHDSACASA-N -1 3 242.319 0.827 20 0 BCADHM CC[C@H](C(=O)NCc1cncc([O-])c1)[C@H](C)O ZINC000900719421 584344607 /nfs/dbraw/zinc/34/46/07/584344607.db2.gz MQUSPLCVGLXKMJ-KWQFWETISA-N -1 3 238.287 0.810 20 0 BCADHM COCCONC(=O)c1c(C)n[n-]c1Cl ZINC000900953638 584366668 /nfs/dbraw/zinc/36/66/68/584366668.db2.gz BZSYGGXKOZSLNQ-UHFFFAOYSA-N -1 3 233.655 0.679 20 0 BCADHM COCCONC(=O)c1c(C)[n-]nc1Cl ZINC000900953638 584366669 /nfs/dbraw/zinc/36/66/69/584366669.db2.gz BZSYGGXKOZSLNQ-UHFFFAOYSA-N -1 3 233.655 0.679 20 0 BCADHM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCN)C1 ZINC000901095708 584384691 /nfs/dbraw/zinc/38/46/91/584384691.db2.gz JSFXABPRRYGLJR-DTWKUNHWSA-N -1 3 248.348 0.217 20 0 BCADHM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CCN)C1 ZINC000901095710 584384905 /nfs/dbraw/zinc/38/49/05/584384905.db2.gz JSFXABPRRYGLJR-IUCAKERBSA-N -1 3 248.348 0.217 20 0 BCADHM O=C([N-]C1=NCCS1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000901155780 584392297 /nfs/dbraw/zinc/39/22/97/584392297.db2.gz ZNDJBZPUAXQGCH-RNJXMRFFSA-N -1 3 238.312 0.821 20 0 BCADHM CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C(=O)[O-] ZINC000901467825 584451819 /nfs/dbraw/zinc/45/18/19/584451819.db2.gz XSPCMYGMHLDFEM-SECBINFHSA-N -1 3 244.335 0.944 20 0 BCADHM Cn1nccc1CN[C@](C)(CCF)C(=O)[O-] ZINC000901914528 584503664 /nfs/dbraw/zinc/50/36/64/584503664.db2.gz BZDFMIFEXCPTIS-SNVBAGLBSA-N -1 3 229.255 0.713 20 0 BCADHM CCn1nncc1CN[C@@](C)(CCF)C(=O)[O-] ZINC000901916590 584503865 /nfs/dbraw/zinc/50/38/65/584503865.db2.gz VJPFAZMQIRWHFG-JTQLQIEISA-N -1 3 244.270 0.591 20 0 BCADHM Cn1nncc1CN[C@@](C)(CCF)C(=O)[O-] ZINC000901918561 584504122 /nfs/dbraw/zinc/50/41/22/584504122.db2.gz FYMIBTZYEUYZEP-VIFPVBQESA-N -1 3 230.243 0.108 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](CC)N(C)C ZINC000902019774 584514648 /nfs/dbraw/zinc/51/46/48/584514648.db2.gz STJBAOULJZWGMW-RKDXNWHRSA-N -1 3 230.308 0.648 20 0 BCADHM Cn1c(=O)[n-]nc1SCc1nncs1 ZINC000902201995 584537471 /nfs/dbraw/zinc/53/74/71/584537471.db2.gz MNUITKZRZGPBDE-UHFFFAOYSA-N -1 3 229.290 0.665 20 0 BCADHM CCn1ncc(CO[N-]C(=O)C(C)(C)C)n1 ZINC000902238466 584543248 /nfs/dbraw/zinc/54/32/48/584543248.db2.gz HHWWEDJJJXQIBA-UHFFFAOYSA-N -1 3 226.280 0.892 20 0 BCADHM O=C(OCCF)N1CCc2c(=O)[n-]cnc2C1 ZINC000859102184 589002197 /nfs/dbraw/zinc/00/21/97/589002197.db2.gz DUBQHCKXCXYFOQ-UHFFFAOYSA-N -1 3 241.222 0.646 20 0 BCADHM CCCN(C)CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000902661927 584651132 /nfs/dbraw/zinc/65/11/32/584651132.db2.gz VHFNVDHCPYTCNV-KYZUINATSA-N -1 3 228.292 0.308 20 0 BCADHM CC(=O)[N-]OC[C@@H]1COc2ccccc2O1 ZINC000902703254 584658937 /nfs/dbraw/zinc/65/89/37/584658937.db2.gz CKIZLQYAWOFCNL-VIFPVBQESA-N -1 3 223.228 0.894 20 0 BCADHM CC(=O)[N-]OCC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000902703779 584659056 /nfs/dbraw/zinc/65/90/56/584659056.db2.gz ZWHSBJRXWQCEQA-MRVPVSSYSA-N -1 3 244.291 0.080 20 0 BCADHM [O-]C(=NO[C@H]1CCCCO1)OC1COC1 ZINC000902834680 584679438 /nfs/dbraw/zinc/67/94/38/584679438.db2.gz HNYJLSLEWDAMOG-QMMMGPOBSA-N -1 3 217.221 0.570 20 0 BCADHM O=C([N-]O[C@H]1CCCCO1)OC1COC1 ZINC000902834680 584679440 /nfs/dbraw/zinc/67/94/40/584679440.db2.gz HNYJLSLEWDAMOG-QMMMGPOBSA-N -1 3 217.221 0.570 20 0 BCADHM NC(=O)[N-]C(=O)OCCCN1CCC[C@H](F)C1 ZINC000902995928 584713764 /nfs/dbraw/zinc/71/37/64/584713764.db2.gz PHGPCDMBEPNDPU-QMMMGPOBSA-N -1 3 247.270 0.615 20 0 BCADHM C[C@@H]1C[C@H](C)CCN(CC(=O)NCC(=O)[O-])C1 ZINC000903419111 584760250 /nfs/dbraw/zinc/76/02/50/584760250.db2.gz XMRUIIASYFKCIG-NXEZZACHSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@@H]1CSCCCN1CCOCC(=O)[O-] ZINC000903958079 584827481 /nfs/dbraw/zinc/82/74/81/584827481.db2.gz VMJZUKCCRSCYJA-SECBINFHSA-N -1 3 233.333 0.915 20 0 BCADHM C[C@H]1CSCCCN1CCOCC(=O)[O-] ZINC000903958080 584827492 /nfs/dbraw/zinc/82/74/92/584827492.db2.gz VMJZUKCCRSCYJA-VIFPVBQESA-N -1 3 233.333 0.915 20 0 BCADHM O=C([O-])C1(NCc2ncc[nH]2)CCCC1 ZINC000904007658 584837596 /nfs/dbraw/zinc/83/75/96/584837596.db2.gz PWBPLWQRVCFMCA-UHFFFAOYSA-N -1 3 209.249 0.897 20 0 BCADHM Cc1n[nH]cc1CNC1(C(=O)[O-])CCC1 ZINC000904007999 584837619 /nfs/dbraw/zinc/83/76/19/584837619.db2.gz ZBMNFYUDTDYMOB-UHFFFAOYSA-N -1 3 209.249 0.815 20 0 BCADHM Cc1ccccc1OCC(=O)[N-]c1nnnn1C ZINC000904206910 584846502 /nfs/dbraw/zinc/84/65/02/584846502.db2.gz LQZRJBNTZQCCPR-UHFFFAOYSA-N -1 3 247.258 0.536 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@]12C[C@H]1CCCC2 ZINC000904190757 584848617 /nfs/dbraw/zinc/84/86/17/584848617.db2.gz KXWWSTUSYBPPGU-GMSGAONNSA-N -1 3 221.264 0.729 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@]12C[C@@H]1CCCC2 ZINC000904190760 584848803 /nfs/dbraw/zinc/84/88/03/584848803.db2.gz KXWWSTUSYBPPGU-XVKPBYJWSA-N -1 3 221.264 0.729 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1(C(F)(F)F)CCC1 ZINC000904191981 584849108 /nfs/dbraw/zinc/84/91/08/584849108.db2.gz VNPIMYRQKXVODD-UHFFFAOYSA-N -1 3 249.196 0.881 20 0 BCADHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)[N-]c1nnnn1C ZINC000904191614 584849176 /nfs/dbraw/zinc/84/91/76/584849176.db2.gz UZFQZLANITYKGM-ULAWRXDQSA-N -1 3 221.264 0.441 20 0 BCADHM CC[C@@H](CC(F)F)C(=O)[N-]c1nnnn1C ZINC000904191630 584849282 /nfs/dbraw/zinc/84/92/82/584849282.db2.gz NAJDXLVTQOOWPQ-YFKPBYRVSA-N -1 3 233.222 0.830 20 0 BCADHM CCO[C@@H](C(=O)[N-]c1nnnn1C)C(C)C ZINC000904191577 584849329 /nfs/dbraw/zinc/84/93/29/584849329.db2.gz UMQJEJVFILDKMT-SSDOTTSWSA-N -1 3 227.268 0.210 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000904191221 584849348 /nfs/dbraw/zinc/84/93/48/584849348.db2.gz HZRJDISVRSKFLM-BWZBUEFSSA-N -1 3 221.264 0.585 20 0 BCADHM CCO[C@H](C(=O)[N-]c1nnnn1C)C(C)C ZINC000904191579 584849370 /nfs/dbraw/zinc/84/93/70/584849370.db2.gz UMQJEJVFILDKMT-ZETCQYMHSA-N -1 3 227.268 0.210 20 0 BCADHM CC[C@@H]1CCC[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904191859 584849501 /nfs/dbraw/zinc/84/95/01/584849501.db2.gz QOKBWORZDRFDTN-SFYZADRCSA-N -1 3 223.280 0.975 20 0 BCADHM C[C@H](CC(=O)[N-]c1nnnn1C)c1cnn(C)c1 ZINC000904191526 584849534 /nfs/dbraw/zinc/84/95/34/584849534.db2.gz KUTJINKMSXLATC-SSDOTTSWSA-N -1 3 249.278 0.076 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1Cc2ccccc2C1 ZINC000904193159 584849639 /nfs/dbraw/zinc/84/96/39/584849639.db2.gz BMTFFMVSRHRCNP-UHFFFAOYSA-N -1 3 243.270 0.564 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000904193109 584849677 /nfs/dbraw/zinc/84/96/77/584849677.db2.gz ADKFTTKLRCIPNQ-ZCFIWIBFSA-N -1 3 245.233 0.974 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1CCC(C)(C)O1 ZINC000904193111 584849696 /nfs/dbraw/zinc/84/96/96/584849696.db2.gz ADUAILNHCWFUKA-ZCFIWIBFSA-N -1 3 225.252 0.106 20 0 BCADHM CC[C@@H](C)[C@H](OC)C(=O)[N-]c1nnnn1C ZINC000904193800 584849960 /nfs/dbraw/zinc/84/99/60/584849960.db2.gz OOTUJTCUIKJUTH-RQJHMYQMSA-N -1 3 227.268 0.210 20 0 BCADHM Cn1nnnc1[N-]C(=O)C(C1CC1)C1CC1 ZINC000904194346 584850031 /nfs/dbraw/zinc/85/00/31/584850031.db2.gz CGDCRQOXPYENEH-UHFFFAOYSA-N -1 3 221.264 0.585 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CC12CCCC2 ZINC000904194680 584850038 /nfs/dbraw/zinc/85/00/38/584850038.db2.gz KBIOUJBWSNZPEI-ZETCQYMHSA-N -1 3 221.264 0.729 20 0 BCADHM C[C@@H]1CC(=O)CC[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904195213 584850193 /nfs/dbraw/zinc/85/01/93/584850193.db2.gz RLKYCPLFAHLKOK-SVRRBLITSA-N -1 3 237.263 0.154 20 0 BCADHM CCCC1(C(=O)[N-]c2nnnn2C)CC1 ZINC000904194650 584850296 /nfs/dbraw/zinc/85/02/96/584850296.db2.gz JKKUZGAZDWBUQZ-UHFFFAOYSA-N -1 3 209.253 0.729 20 0 BCADHM CCO[C@H](CC(=O)[N-]c1nnnn1C)C(C)C ZINC000904195246 584850391 /nfs/dbraw/zinc/85/03/91/584850391.db2.gz RZVFFBBARNWWNS-MRVPVSSYSA-N -1 3 241.295 0.600 20 0 BCADHM CCC(C)(C)CC(=O)[N-]c1nnnn1C ZINC000904200284 584850906 /nfs/dbraw/zinc/85/09/06/584850906.db2.gz XCXVTAZLWNPSGX-UHFFFAOYSA-N -1 3 211.269 0.975 20 0 BCADHM C[C@H]1CC[C@H](CCC(=O)[N-]c2nnnn2C)O1 ZINC000904198877 584851105 /nfs/dbraw/zinc/85/11/05/584851105.db2.gz KTWPQFXJGMWPRS-JGVFFNPUSA-N -1 3 239.279 0.496 20 0 BCADHM CC(C)CCO[C@H](C)C(=O)[N-]c1nnnn1C ZINC000904199777 584851135 /nfs/dbraw/zinc/85/11/35/584851135.db2.gz MIRMIUXHTJTXTQ-MRVPVSSYSA-N -1 3 241.295 0.600 20 0 BCADHM CSCCCCC(=O)[N-]c1nnnn1C ZINC000904198715 584851231 /nfs/dbraw/zinc/85/12/31/584851231.db2.gz KAENANUQRDCDTE-UHFFFAOYSA-N -1 3 229.309 0.682 20 0 BCADHM C[C@H]1CCC[C@@H](C(=O)[N-]c2nnnn2C)C1 ZINC000904198991 584851252 /nfs/dbraw/zinc/85/12/52/584851252.db2.gz MIWCMDMEARUMDU-JGVFFNPUSA-N -1 3 223.280 0.975 20 0 BCADHM COC[C@H](C)CN(C)CCNC(=O)[O-] ZINC000828897952 584904546 /nfs/dbraw/zinc/90/45/46/584904546.db2.gz WCGMJRDCAKXAPL-MRVPVSSYSA-N -1 3 204.270 0.468 20 0 BCADHM CCCCCCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000829558602 584907547 /nfs/dbraw/zinc/90/75/47/584907547.db2.gz ADGDFOKXLSYILG-VIFPVBQESA-N -1 3 248.348 0.974 20 0 BCADHM COC(=O)/C(C)=C\CN1CC[C@](C)(C(=O)[O-])C1 ZINC000831052937 584908916 /nfs/dbraw/zinc/90/89/16/584908916.db2.gz FVQSONBAIQIVCT-REPPVQDKSA-N -1 3 241.287 0.902 20 0 BCADHM CC[C@H](C)CS(=O)(=O)[N-][C@H]1CCOC1=O ZINC000733311122 584946728 /nfs/dbraw/zinc/94/67/28/584946728.db2.gz DTOULHHZCGBGMQ-YUMQZZPRSA-N -1 3 235.305 0.267 20 0 BCADHM CO[N-]C(=O)CCCn1ccccc1=O ZINC000735032148 584971759 /nfs/dbraw/zinc/97/17/59/584971759.db2.gz MWRIRYGFTOOLLT-UHFFFAOYSA-N -1 3 210.233 0.306 20 0 BCADHM CC(C)[C@@H](C)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000735700384 584981057 /nfs/dbraw/zinc/98/10/57/584981057.db2.gz GAOLLAVGJUQRDE-ZCFIWIBFSA-N -1 3 249.278 0.578 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N(C)CC(C)(C)C ZINC000736210632 584991903 /nfs/dbraw/zinc/99/19/03/584991903.db2.gz YODSELJNNPIZTG-MRVPVSSYSA-N -1 3 230.308 0.554 20 0 BCADHM CC1(CNc2ncccc2-c2nnn[n-]2)COC1 ZINC000736217649 584992119 /nfs/dbraw/zinc/99/21/19/584992119.db2.gz ZZWAZKDHRIRKKL-UHFFFAOYSA-N -1 3 246.274 0.710 20 0 BCADHM CC1(CNc2ncccc2-c2nn[n-]n2)COC1 ZINC000736217649 584992120 /nfs/dbraw/zinc/99/21/20/584992120.db2.gz ZZWAZKDHRIRKKL-UHFFFAOYSA-N -1 3 246.274 0.710 20 0 BCADHM CC[C@H](C)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000736320730 584997789 /nfs/dbraw/zinc/99/77/89/584997789.db2.gz WPAUWUKLWUECRC-YFKPBYRVSA-N -1 3 235.251 0.332 20 0 BCADHM CC(C)[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N(C)C ZINC000736346844 584998498 /nfs/dbraw/zinc/99/84/98/584998498.db2.gz AEJHYBKMUJTCPM-VHSXEESVSA-N -1 3 242.319 0.506 20 0 BCADHM C[C@@H](CN(CC(=O)N(C)C)C1CC1)C(=O)[O-] ZINC000736576890 585006174 /nfs/dbraw/zinc/00/61/74/585006174.db2.gz OUUFRGSAMQXXER-QMMMGPOBSA-N -1 3 228.292 0.260 20 0 BCADHM C[C@@H](CN(CC(=O)NC1CC1)C1CC1)C(=O)[O-] ZINC000736580045 585006482 /nfs/dbraw/zinc/00/64/82/585006482.db2.gz XCUCOQZBIJLWTI-QMMMGPOBSA-N -1 3 240.303 0.450 20 0 BCADHM CC(C)[C@H](C(=O)NC[C@@H](C)C(=O)[O-])N(C)C ZINC000736593023 585006733 /nfs/dbraw/zinc/00/67/33/585006733.db2.gz MCJSTUHZMCQYHD-RKDXNWHRSA-N -1 3 230.308 0.410 20 0 BCADHM C[C@@H](CNC(=O)CCCNC(=O)[O-])N(C)C ZINC000736596265 585007074 /nfs/dbraw/zinc/00/70/74/585007074.db2.gz YEXQZMHPNVQTDR-QMMMGPOBSA-N -1 3 231.296 0.101 20 0 BCADHM C[C@H](CNC(=O)CCCN(C)C(=O)[O-])N(C)C ZINC000736595390 585007250 /nfs/dbraw/zinc/00/72/50/585007250.db2.gz ILZQUIHEIWFZSC-SECBINFHSA-N -1 3 245.323 0.443 20 0 BCADHM C[C@@H](O)CN1CCN(CCCC(=O)[O-])C[C@@H]1C ZINC000736676540 585009093 /nfs/dbraw/zinc/00/90/93/585009093.db2.gz IWZHMPRNRHZHDO-WDEREUQCSA-N -1 3 244.335 0.238 20 0 BCADHM C[C@H]1CC[C@H](C)N1CC(=O)NC(C)(C)C(=O)[O-] ZINC000736761471 585011634 /nfs/dbraw/zinc/01/16/34/585011634.db2.gz JOKASIGZJFOBSD-IUCAKERBSA-N -1 3 242.319 0.839 20 0 BCADHM COc1cc(=O)[nH]cc1C(=O)[N-]OCC1CC1 ZINC000820479532 585013755 /nfs/dbraw/zinc/01/37/55/585013755.db2.gz YBBHOPHDBAUEGT-UHFFFAOYSA-N -1 3 238.243 0.867 20 0 BCADHM CN(CC(F)F)c1ncccc1-c1nnn[n-]1 ZINC000736788365 585014473 /nfs/dbraw/zinc/01/44/73/585014473.db2.gz JZYPORQODHUFJF-UHFFFAOYSA-N -1 3 240.217 0.963 20 0 BCADHM CN(CC(F)F)c1ncccc1-c1nn[n-]n1 ZINC000736788365 585014474 /nfs/dbraw/zinc/01/44/74/585014474.db2.gz JZYPORQODHUFJF-UHFFFAOYSA-N -1 3 240.217 0.963 20 0 BCADHM C[C@@H]1[C@@H](C)CCCN1CC(=O)NCCC(=O)[O-] ZINC000736794573 585015051 /nfs/dbraw/zinc/01/50/51/585015051.db2.gz QPVSIHMOGQPTKH-VHSXEESVSA-N -1 3 242.319 0.698 20 0 BCADHM O=C(C[C@@H]1CCCO1)[N-]OC1CCOCC1 ZINC000772704503 585016033 /nfs/dbraw/zinc/01/60/33/585016033.db2.gz DVHWHCDBDKSBCO-JTQLQIEISA-N -1 3 229.276 0.782 20 0 BCADHM C[C@@H]1CN(CCC(=O)NCC(=O)[O-])CCS1 ZINC000736812604 585016544 /nfs/dbraw/zinc/01/65/44/585016544.db2.gz WBNOQHZRBZPWFG-MRVPVSSYSA-N -1 3 246.332 0.015 20 0 BCADHM C[C@H]1CN(CCC(=O)NCC(=O)[O-])CCS1 ZINC000736812606 585016548 /nfs/dbraw/zinc/01/65/48/585016548.db2.gz WBNOQHZRBZPWFG-QMMMGPOBSA-N -1 3 246.332 0.015 20 0 BCADHM CN(c1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCOC1 ZINC000736842041 585017221 /nfs/dbraw/zinc/01/72/21/585017221.db2.gz MJVGBBLUIQFAGJ-SECBINFHSA-N -1 3 246.274 0.487 20 0 BCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCOC1 ZINC000736842041 585017222 /nfs/dbraw/zinc/01/72/22/585017222.db2.gz MJVGBBLUIQFAGJ-SECBINFHSA-N -1 3 246.274 0.487 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCc2cncnc2C1 ZINC000736859854 585018065 /nfs/dbraw/zinc/01/80/65/585018065.db2.gz JTBVTCFVCYUEHN-SNVBAGLBSA-N -1 3 221.260 0.698 20 0 BCADHM CNC(=O)COc1ccc(-c2nnn[n-]2)cc1C ZINC000736875786 585018534 /nfs/dbraw/zinc/01/85/34/585018534.db2.gz YGVLLHILBMSUHY-UHFFFAOYSA-N -1 3 247.258 0.300 20 0 BCADHM CNC(=O)COc1ccc(-c2nn[n-]n2)cc1C ZINC000736875786 585018535 /nfs/dbraw/zinc/01/85/35/585018535.db2.gz YGVLLHILBMSUHY-UHFFFAOYSA-N -1 3 247.258 0.300 20 0 BCADHM COC1CN(c2ncccc2-c2nnn[n-]2)C1 ZINC000736966509 585020829 /nfs/dbraw/zinc/02/08/29/585020829.db2.gz SFWMGIALFAGEIE-UHFFFAOYSA-N -1 3 232.247 0.097 20 0 BCADHM COC1CN(c2ncccc2-c2nn[n-]n2)C1 ZINC000736966509 585020830 /nfs/dbraw/zinc/02/08/30/585020830.db2.gz SFWMGIALFAGEIE-UHFFFAOYSA-N -1 3 232.247 0.097 20 0 BCADHM CCN(C)C(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000737068345 585024680 /nfs/dbraw/zinc/02/46/80/585024680.db2.gz XQQWSRZRABCJCJ-SECBINFHSA-N -1 3 242.319 0.650 20 0 BCADHM CCN(CC(=O)[O-])C(=O)CN(C)C(C)C ZINC000737070407 585024779 /nfs/dbraw/zinc/02/47/79/585024779.db2.gz VZGYGAYFFGSABK-UHFFFAOYSA-N -1 3 216.281 0.260 20 0 BCADHM CCN1CCC[C@@H](NC(=O)CCNC(=O)[O-])C1 ZINC000737113168 585025922 /nfs/dbraw/zinc/02/59/22/585025922.db2.gz BEBRHKGPKLUJGW-SECBINFHSA-N -1 3 243.307 0.245 20 0 BCADHM CCOCCN1CCN([C@H](C)C(=O)[O-])C[C@@H]1C ZINC000737175701 585026925 /nfs/dbraw/zinc/02/69/25/585026925.db2.gz BLOYSRYYNIXVGV-WDEREUQCSA-N -1 3 244.335 0.502 20 0 BCADHM Cn1cnc(NC([O-])=NOCC2CCC2)n1 ZINC000823559006 585028271 /nfs/dbraw/zinc/02/82/71/585028271.db2.gz ABZRVYDGQCGUMM-UHFFFAOYSA-N -1 3 225.252 0.668 20 0 BCADHM Cn1cnc(NC(=O)[N-]OCC2CCC2)n1 ZINC000823559006 585028272 /nfs/dbraw/zinc/02/82/72/585028272.db2.gz ABZRVYDGQCGUMM-UHFFFAOYSA-N -1 3 225.252 0.668 20 0 BCADHM CCCOC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825338487 585029246 /nfs/dbraw/zinc/02/92/46/585029246.db2.gz AAVKHHWKYLWAIM-UHFFFAOYSA-N -1 3 221.220 0.762 20 0 BCADHM CN(C)[C@H]1CCN(C(=O)C(C)(C)NC(=O)[O-])C1 ZINC000737358891 585030824 /nfs/dbraw/zinc/03/08/24/585030824.db2.gz MPBKUDHWRKBSKC-QMMMGPOBSA-N -1 3 243.307 0.195 20 0 BCADHM CN(C)Cc1cccc(C(=O)NCC(=O)[O-])c1 ZINC000737370222 585030949 /nfs/dbraw/zinc/03/09/49/585030949.db2.gz HTHDCELELDASGP-UHFFFAOYSA-N -1 3 236.271 0.563 20 0 BCADHM CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000737370360 585031127 /nfs/dbraw/zinc/03/11/27/585031127.db2.gz PNYWJOHHMDHZOP-UHFFFAOYSA-N -1 3 246.307 0.870 20 0 BCADHM CN(CC(=O)N(C)[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000737514708 585034445 /nfs/dbraw/zinc/03/44/45/585034445.db2.gz OCXPLFNGCNELKS-SECBINFHSA-N -1 3 243.307 0.149 20 0 BCADHM CCOC(CC(=O)[N-]C1=NCCS1)OCC ZINC000788631953 585040934 /nfs/dbraw/zinc/04/09/34/585040934.db2.gz AASCXBWZJBBHOQ-UHFFFAOYSA-N -1 3 246.332 0.995 20 0 BCADHM C[C@H](CC(=O)Nc1[n-]nnc1C(N)=O)C1CC1 ZINC000839356241 585101900 /nfs/dbraw/zinc/10/19/00/585101900.db2.gz NFMAOMOBFQOINJ-RXMQYKEDSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@H](CC(=O)Nc1nn[n-]c1C(N)=O)C1CC1 ZINC000839356241 585101901 /nfs/dbraw/zinc/10/19/01/585101901.db2.gz NFMAOMOBFQOINJ-RXMQYKEDSA-N -1 3 237.263 0.278 20 0 BCADHM C[C@H](CC(=O)Nc1n[n-]nc1C(N)=O)C1CC1 ZINC000839356241 585101902 /nfs/dbraw/zinc/10/19/02/585101902.db2.gz NFMAOMOBFQOINJ-RXMQYKEDSA-N -1 3 237.263 0.278 20 0 BCADHM c1[n-][nH]c2ncnc(=NCCOC3CCC3)c1-2 ZINC000742423661 585125933 /nfs/dbraw/zinc/12/59/33/585125933.db2.gz HAOPUSKLXNTQSH-UHFFFAOYSA-N -1 3 233.275 0.707 20 0 BCADHM CC(C)(O)CO[N-]C(=O)[C@H]1CC12CCOCC2 ZINC000788223741 585141960 /nfs/dbraw/zinc/14/19/60/585141960.db2.gz OGWRLBSAJDRRHA-SECBINFHSA-N -1 3 243.303 0.622 20 0 BCADHM O=C(OCCCO)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000744967023 585154790 /nfs/dbraw/zinc/15/47/90/585154790.db2.gz JJHIRRIZXHCZNK-UHFFFAOYSA-N -1 3 249.222 0.109 20 0 BCADHM Cc1cccc(N(C)C(=O)c2nnc[n-]2)n1 ZINC000746178539 585164630 /nfs/dbraw/zinc/16/46/30/585164630.db2.gz HDIFKVJVYVDWJM-UHFFFAOYSA-N -1 3 217.232 0.785 20 0 BCADHM Cc1cccc(N(C)C(=O)c2nc[n-]n2)n1 ZINC000746178539 585164631 /nfs/dbraw/zinc/16/46/31/585164631.db2.gz HDIFKVJVYVDWJM-UHFFFAOYSA-N -1 3 217.232 0.785 20 0 BCADHM COCCO[N-]C(=O)C1(CCOC)CC1 ZINC000746204796 585165102 /nfs/dbraw/zinc/16/51/02/585165102.db2.gz JAADTJLBCFWJOY-UHFFFAOYSA-N -1 3 217.265 0.497 20 0 BCADHM C[C@@H](C(=O)[N-]OCc1cccnc1)N(C)C ZINC000747578723 585180909 /nfs/dbraw/zinc/18/09/09/585180909.db2.gz NCPCCKPDHBCHSL-VIFPVBQESA-N -1 3 223.276 0.580 20 0 BCADHM CCn1cc(NC([O-])=NOCCOC)cn1 ZINC000749017500 585198204 /nfs/dbraw/zinc/19/82/04/585198204.db2.gz VEXVOZFFINYMNM-UHFFFAOYSA-N -1 3 228.252 0.603 20 0 BCADHM CCn1cc(NC(=O)[N-]OCCOC)cn1 ZINC000749017500 585198205 /nfs/dbraw/zinc/19/82/05/585198205.db2.gz VEXVOZFFINYMNM-UHFFFAOYSA-N -1 3 228.252 0.603 20 0 BCADHM O=C(NCc1cccc(F)n1)c1c[n-]nn1 ZINC000749115582 585199781 /nfs/dbraw/zinc/19/97/81/585199781.db2.gz ZLLBVOAVSABGEW-UHFFFAOYSA-N -1 3 221.195 0.269 20 0 BCADHM O=C(NCc1cccc(F)n1)c1cnn[n-]1 ZINC000749115582 585199782 /nfs/dbraw/zinc/19/97/82/585199782.db2.gz ZLLBVOAVSABGEW-UHFFFAOYSA-N -1 3 221.195 0.269 20 0 BCADHM O=C(NCc1cccc(F)n1)c1cn[n-]n1 ZINC000749115582 585199783 /nfs/dbraw/zinc/19/97/83/585199783.db2.gz ZLLBVOAVSABGEW-UHFFFAOYSA-N -1 3 221.195 0.269 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCn2cncc2C1 ZINC000749568899 585204065 /nfs/dbraw/zinc/20/40/65/585204065.db2.gz XWGLLPFJSRCJHL-MRVPVSSYSA-N -1 3 209.249 0.513 20 0 BCADHM Cc1nc(C)c(CC(=O)Nc2cnoc2)c(=O)[n-]1 ZINC000749642316 585204890 /nfs/dbraw/zinc/20/48/90/585204890.db2.gz VCEQBVFRVPXFCZ-UHFFFAOYSA-N -1 3 248.242 0.968 20 0 BCADHM CCNC(=O)COC(=O)c1ccc(F)cc1[O-] ZINC000750146583 585210938 /nfs/dbraw/zinc/21/09/38/585210938.db2.gz PHWGGFWNLGYEDD-UHFFFAOYSA-N -1 3 241.218 0.824 20 0 BCADHM NC(=O)COC(=O)c1ccc(F)cc1[O-] ZINC000750163667 585211657 /nfs/dbraw/zinc/21/16/57/585211657.db2.gz DJDIVBWCGQFRDP-UHFFFAOYSA-N -1 3 213.164 0.173 20 0 BCADHM O=C(O[C@H]1CCNC1=O)c1ccc(F)cc1[O-] ZINC000750171383 585211784 /nfs/dbraw/zinc/21/17/84/585211784.db2.gz YUPCJHKGGOCTRC-VIFPVBQESA-N -1 3 239.202 0.577 20 0 BCADHM O=C(N1CCCC1)N1CCc2nc[n-]c(=O)c2C1 ZINC000750569361 585217730 /nfs/dbraw/zinc/21/77/30/585217730.db2.gz JBYIMFZBSZWUNP-UHFFFAOYSA-N -1 3 248.286 0.756 20 0 BCADHM O=S(=O)([N-][C@@H](CO)C1CC1)c1cccs1 ZINC000751424861 585230225 /nfs/dbraw/zinc/23/02/25/585230225.db2.gz VDGORIOKTWHEMK-QMMMGPOBSA-N -1 3 247.341 0.797 20 0 BCADHM CCOC(=O)[C@H](CC1CC1)[N-]S(C)(=O)=O ZINC000751983475 585240329 /nfs/dbraw/zinc/24/03/29/585240329.db2.gz XWMHRKMDGCKSRI-QMMMGPOBSA-N -1 3 235.305 0.267 20 0 BCADHM CCCCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000752877959 585250741 /nfs/dbraw/zinc/25/07/41/585250741.db2.gz GBUVOIKSIAHXRT-ZETCQYMHSA-N -1 3 220.294 0.194 20 0 BCADHM COCCCO[N-]C(=O)C[C@@H](C)COC ZINC000805038899 585257039 /nfs/dbraw/zinc/25/70/39/585257039.db2.gz IIGKMDIOYNNQBS-SECBINFHSA-N -1 3 219.281 0.743 20 0 BCADHM COCCCO[N-]C(=O)Cc1c(C)n[nH]c1C ZINC000805041956 585258109 /nfs/dbraw/zinc/25/81/09/585258109.db2.gz IVMQZTREVHXHBQ-UHFFFAOYSA-N -1 3 241.291 0.653 20 0 BCADHM COCCO[N-]C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000753418143 585258471 /nfs/dbraw/zinc/25/84/71/585258471.db2.gz JWPVXOBQJIJIRM-LLVKDONJSA-N -1 3 244.291 0.130 20 0 BCADHM COCCCO[N-]C(=O)[C@H](C(C)C)N(C)C ZINC000805042877 585259763 /nfs/dbraw/zinc/25/97/63/585259763.db2.gz JQOLZRBYIKEVGB-JTQLQIEISA-N -1 3 232.324 0.657 20 0 BCADHM COCCCO[N-]C(=O)CCOCC(F)F ZINC000805044420 585262058 /nfs/dbraw/zinc/26/20/58/585262058.db2.gz RJLCLFFRDLCGIE-UHFFFAOYSA-N -1 3 241.234 0.743 20 0 BCADHM COCCCO[N-]C(=O)C[C@@](C)(O)C1CC1 ZINC000805044776 585263424 /nfs/dbraw/zinc/26/34/24/585263424.db2.gz BBURKYYUNYSGPF-LLVKDONJSA-N -1 3 231.292 0.622 20 0 BCADHM C[C@@H](O)CNC(=O)c1cc2n[n-]nc2cc1F ZINC000753786137 585269008 /nfs/dbraw/zinc/26/90/08/585269008.db2.gz ONPVDRRUJWQOBT-RXMQYKEDSA-N -1 3 238.222 0.208 20 0 BCADHM Cc1cc(=O)[n-]c(CSc2nnnn2C)n1 ZINC000754456821 585284659 /nfs/dbraw/zinc/28/46/59/585284659.db2.gz GPYBSRWJLXDCJT-UHFFFAOYSA-N -1 3 238.276 0.306 20 0 BCADHM COC[C@H](C)CC(=O)[N-]C1=NCCS1 ZINC000755061069 585294181 /nfs/dbraw/zinc/29/41/81/585294181.db2.gz CBVHZPVHMQFBQD-SSDOTTSWSA-N -1 3 216.306 0.878 20 0 BCADHM O=C([N-]CCO)C(F)(F)c1nccs1 ZINC000756530464 585320643 /nfs/dbraw/zinc/32/06/43/585320643.db2.gz MVDOGOVUKFTUCC-UHFFFAOYSA-N -1 3 222.216 0.343 20 0 BCADHM COCCO[N-]C(=O)CC(C)(C)COC ZINC000839699017 585335573 /nfs/dbraw/zinc/33/55/73/585335573.db2.gz UQVPZOITJGAXOT-UHFFFAOYSA-N -1 3 219.281 0.743 20 0 BCADHM CCN1CCCC[C@@H]1C(=O)[N-]OCC(C)(C)O ZINC000839739387 585339496 /nfs/dbraw/zinc/33/94/96/585339496.db2.gz RCTSRIQNDDQKGD-SNVBAGLBSA-N -1 3 244.335 0.680 20 0 BCADHM Cc1ccc(NC([O-])=NOCC(N)=O)c(C)n1 ZINC000757654380 585343692 /nfs/dbraw/zinc/34/36/92/585343692.db2.gz DILXSSAOMFKVQE-UHFFFAOYSA-N -1 3 238.247 0.237 20 0 BCADHM Cc1ccc(NC(=O)[N-]OCC(N)=O)c(C)n1 ZINC000757654380 585343693 /nfs/dbraw/zinc/34/36/93/585343693.db2.gz DILXSSAOMFKVQE-UHFFFAOYSA-N -1 3 238.247 0.237 20 0 BCADHM CON(C(=O)c1cn[n-]n1)C1CCCC1 ZINC000757659629 585343933 /nfs/dbraw/zinc/34/39/33/585343933.db2.gz XQRLPRMAXKXALL-UHFFFAOYSA-N -1 3 210.237 0.751 20 0 BCADHM CN(CCO)C(=O)c1nnc2ccccc2c1[O-] ZINC000758303608 585353511 /nfs/dbraw/zinc/35/35/11/585353511.db2.gz CEXZKBNEYXCVNX-UHFFFAOYSA-N -1 3 247.254 0.400 20 0 BCADHM O=C(CCCn1ccnc1)[N-]OCC(F)F ZINC000759326970 585367653 /nfs/dbraw/zinc/36/76/53/585367653.db2.gz DRQXFBCEWWPFHG-UHFFFAOYSA-N -1 3 233.218 0.976 20 0 BCADHM CCO[N-]C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000759958367 585383150 /nfs/dbraw/zinc/38/31/50/585383150.db2.gz ZZRPSVANZZQTKE-UHFFFAOYSA-N -1 3 248.246 0.735 20 0 BCADHM O=C([N-]OCC(F)F)[C@@H]1CCn2ccnc2C1 ZINC000760145733 585386136 /nfs/dbraw/zinc/38/61/36/585386136.db2.gz FUDBKJPSBMJWGG-SSDOTTSWSA-N -1 3 245.229 0.758 20 0 BCADHM O=C([N-]OCC(F)F)[C@H]1CCn2ccnc2C1 ZINC000760145735 585386143 /nfs/dbraw/zinc/38/61/43/585386143.db2.gz FUDBKJPSBMJWGG-ZETCQYMHSA-N -1 3 245.229 0.758 20 0 BCADHM C[C@H](O)CCNC(=O)/C=C\c1cncc([O-])c1 ZINC000760548737 585394111 /nfs/dbraw/zinc/39/41/11/585394111.db2.gz BSMNVUGBBPYLON-XADBCAIWSA-N -1 3 236.271 0.688 20 0 BCADHM Cc1cc(=O)[n-]c(CN2CCS(=O)CC2)n1 ZINC000761876893 585421789 /nfs/dbraw/zinc/42/17/89/585421789.db2.gz OSPPCFONEDZIBJ-UHFFFAOYSA-N -1 3 241.316 0.055 20 0 BCADHM CON(C)CCNC(=O)c1cccc2nn[n-]c21 ZINC000763007842 585441295 /nfs/dbraw/zinc/44/12/95/585441295.db2.gz OQCAPKWKVLBPGW-UHFFFAOYSA-N -1 3 249.274 0.181 20 0 BCADHM CON(C)CCNC(=O)c1cccc2[n-]nnc21 ZINC000763007842 585441296 /nfs/dbraw/zinc/44/12/96/585441296.db2.gz OQCAPKWKVLBPGW-UHFFFAOYSA-N -1 3 249.274 0.181 20 0 BCADHM CON(C)CCNC(=O)c1cccc2n[n-]nc21 ZINC000763007842 585441297 /nfs/dbraw/zinc/44/12/97/585441297.db2.gz OQCAPKWKVLBPGW-UHFFFAOYSA-N -1 3 249.274 0.181 20 0 BCADHM CC[C@H](SCc1nc(C)cc(=O)[n-]1)C(N)=O ZINC000763212172 585444404 /nfs/dbraw/zinc/44/44/04/585444404.db2.gz WKTHMPIOWRSCRD-ZETCQYMHSA-N -1 3 241.316 0.988 20 0 BCADHM Cc1cc(=O)[n-]c(CSCCOCCO)n1 ZINC000763403060 585447496 /nfs/dbraw/zinc/44/74/96/585447496.db2.gz MIURSCZGNKDMFG-UHFFFAOYSA-N -1 3 244.316 0.733 20 0 BCADHM COC(=O)CCCC(=O)[N-]OCC(F)F ZINC000764459150 585465883 /nfs/dbraw/zinc/46/58/83/585465883.db2.gz WCDHYOZWGAULHU-UHFFFAOYSA-N -1 3 225.191 0.643 20 0 BCADHM CC1(C)OC[C@H](CN=c2ncnc3[nH][n-]cc2-3)O1 ZINC000765057850 585480470 /nfs/dbraw/zinc/48/04/70/585480470.db2.gz WNMRJSLAGVOCFN-ZETCQYMHSA-N -1 3 249.274 0.290 20 0 BCADHM O=C([N-]C1=NCCS1)[C@]1(O)CCSC1 ZINC000765545889 585489543 /nfs/dbraw/zinc/48/95/43/585489543.db2.gz YJEFBNLUHXUZCO-QMMMGPOBSA-N -1 3 232.330 0.073 20 0 BCADHM CC(=O)[N-]OCc1nncn1-c1ccccc1 ZINC000766711749 585506275 /nfs/dbraw/zinc/50/62/75/585506275.db2.gz QLDGIPNPTHXQLU-UHFFFAOYSA-N -1 3 232.243 0.835 20 0 BCADHM CC/C=C/CCOC(=O)CN1CC(=O)[N-]C1=O ZINC000767535144 585522128 /nfs/dbraw/zinc/52/21/28/585522128.db2.gz ARXJIWBGCJIBFC-ONEGZZNKSA-N -1 3 240.259 0.438 20 0 BCADHM COC[C@H](C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000770467027 585574625 /nfs/dbraw/zinc/57/46/25/585574625.db2.gz RRGJBTLYVVKURP-TYRPZCRBSA-N -1 3 236.271 0.952 20 0 BCADHM CCC[C@](C)(O)C(=O)[N-]C1=NCCS1 ZINC000770744708 585581131 /nfs/dbraw/zinc/58/11/31/585581131.db2.gz CYTDCMNUJSDFAV-VIFPVBQESA-N -1 3 216.306 0.757 20 0 BCADHM O=C(OCCO)c1c([O-])cccc1F ZINC000772594336 585618591 /nfs/dbraw/zinc/61/85/91/585618591.db2.gz SFKCOSUMZXTKQX-UHFFFAOYSA-N -1 3 200.165 0.680 20 0 BCADHM C[C@@H](OC(=O)c1c([O-])cccc1F)C(N)=O ZINC000772581233 585618599 /nfs/dbraw/zinc/61/85/99/585618599.db2.gz RONYCJDCNQMVCC-RXMQYKEDSA-N -1 3 227.191 0.562 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H](C)CC(=O)OC ZINC000772689198 585620747 /nfs/dbraw/zinc/62/07/47/585620747.db2.gz DQMARXJYVLWVDY-QMMMGPOBSA-N -1 3 233.264 0.270 20 0 BCADHM CCOCCO[N-]C(=O)[C@H]1CCCN1C ZINC000772701683 585620985 /nfs/dbraw/zinc/62/09/85/585620985.db2.gz RNZDSAIJZVEVAU-SECBINFHSA-N -1 3 216.281 0.165 20 0 BCADHM COC(=O)c1[nH]c(C)cc1NC(=O)c1nc[n-]n1 ZINC000772784666 585623863 /nfs/dbraw/zinc/62/38/63/585623863.db2.gz XNOWAFNSNUMGLA-UHFFFAOYSA-N -1 3 249.230 0.480 20 0 BCADHM NC(=O)CO[N-]C(=O)CCCC(F)(F)F ZINC000772940280 585627911 /nfs/dbraw/zinc/62/79/11/585627911.db2.gz YCGCIECZCKXEOE-UHFFFAOYSA-N -1 3 228.170 0.252 20 0 BCADHM CON(C)CCNC(=O)c1ccccc1[O-] ZINC000773181190 585633273 /nfs/dbraw/zinc/63/32/73/585633273.db2.gz VDAYIOXVCYXKGW-UHFFFAOYSA-N -1 3 224.260 0.615 20 0 BCADHM CC(C)=CC(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000773386113 585635793 /nfs/dbraw/zinc/63/57/93/585635793.db2.gz ZNEHDXDIPQOVMQ-SECBINFHSA-N -1 3 249.318 0.857 20 0 BCADHM CCO[C@H]1C[C@@H]1C(=O)[N-]OC1CCN(C)CC1 ZINC000773547243 585640025 /nfs/dbraw/zinc/64/00/25/585640025.db2.gz QGTIARBCCVDROS-QWRGUYRKSA-N -1 3 242.319 0.553 20 0 BCADHM CCO[C@@H]1C[C@H]1C(=O)[N-]OC1CCN(C)CC1 ZINC000773547236 585640113 /nfs/dbraw/zinc/64/01/13/585640113.db2.gz QGTIARBCCVDROS-GHMZBOCLSA-N -1 3 242.319 0.553 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@@H]2CCCO2)CC1 ZINC000773550849 585640548 /nfs/dbraw/zinc/64/05/48/585640548.db2.gz GLXFZYWXTNQTGR-JTQLQIEISA-N -1 3 228.292 0.307 20 0 BCADHM CN1C(=O)CN([N-]C(=O)C2(F)CCCC2)C1=O ZINC000773569915 585640614 /nfs/dbraw/zinc/64/06/14/585640614.db2.gz TUWMLDRUDHPDGD-UHFFFAOYSA-N -1 3 243.238 0.194 20 0 BCADHM C[C@H](CC(N)=O)C(=O)[N-]OCc1cccnc1 ZINC000774066175 585649539 /nfs/dbraw/zinc/64/95/39/585649539.db2.gz LNAGIMKHWLPZCH-MRVPVSSYSA-N -1 3 237.259 0.141 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OC1CCCC1 ZINC000774875160 585668165 /nfs/dbraw/zinc/66/81/65/585668165.db2.gz KKKVYIYCLXJKMY-DTWKUNHWSA-N -1 3 227.260 0.786 20 0 BCADHM CCC[C@@H](O)CC(=O)[N-]OCCOCC ZINC000775233643 585673541 /nfs/dbraw/zinc/67/35/41/585673541.db2.gz IREFSFUUKKUVHY-SECBINFHSA-N -1 3 219.281 0.622 20 0 BCADHM Cc1n[n-]nc1C(=O)OCc1ccnn1C ZINC000805546070 585678814 /nfs/dbraw/zinc/67/88/14/585678814.db2.gz DFMVQJIDEJVJSL-UHFFFAOYSA-N -1 3 221.220 0.204 20 0 BCADHM Cc1cc(COC(=O)c2n[n-]nc2C)no1 ZINC000805546157 585678971 /nfs/dbraw/zinc/67/89/71/585678971.db2.gz JRORUJZOIILOOM-UHFFFAOYSA-N -1 3 222.204 0.767 20 0 BCADHM CCOC(=O)CCCOC(=O)c1n[n-]nc1C ZINC000805546664 585679497 /nfs/dbraw/zinc/67/94/97/585679497.db2.gz LJXFCXXCGSQJGO-UHFFFAOYSA-N -1 3 241.247 0.613 20 0 BCADHM CCCC(=O)COC(=O)c1n[n-]nc1C ZINC000805547683 585680896 /nfs/dbraw/zinc/68/08/96/585680896.db2.gz TWHYCYFMXFNHCM-UHFFFAOYSA-N -1 3 211.221 0.639 20 0 BCADHM CC[C@@H](C)C(=O)COC(=O)c1n[n-]nc1C ZINC000805547594 585681140 /nfs/dbraw/zinc/68/11/40/585681140.db2.gz VNIPPUMEUDWSJP-ZCFIWIBFSA-N -1 3 225.248 0.885 20 0 BCADHM COCC[C@H](C)OC(=O)c1n[n-]nc1C ZINC000805547355 585681169 /nfs/dbraw/zinc/68/11/69/585681169.db2.gz YCNGJRARBALTDQ-LURJTMIESA-N -1 3 213.237 0.695 20 0 BCADHM COc1cc(F)ccc1NC([O-])=NOCCO ZINC000776296486 585695122 /nfs/dbraw/zinc/69/51/22/585695122.db2.gz PYZCUYYINDCSHP-UHFFFAOYSA-N -1 3 244.222 0.880 20 0 BCADHM COc1cc(F)ccc1NC(=O)[N-]OCCO ZINC000776296486 585695123 /nfs/dbraw/zinc/69/51/23/585695123.db2.gz PYZCUYYINDCSHP-UHFFFAOYSA-N -1 3 244.222 0.880 20 0 BCADHM [O-]C(=NOCCO)Nc1ccc(F)cc1 ZINC000776295719 585695406 /nfs/dbraw/zinc/69/54/06/585695406.db2.gz XRYHVQRMHAZYII-UHFFFAOYSA-N -1 3 214.196 0.871 20 0 BCADHM O=C([N-]OCCO)Nc1ccc(F)cc1 ZINC000776295719 585695407 /nfs/dbraw/zinc/69/54/07/585695407.db2.gz XRYHVQRMHAZYII-UHFFFAOYSA-N -1 3 214.196 0.871 20 0 BCADHM COc1cc(C(=O)[N-]c2nonc2C)nn1C ZINC000776314272 585695431 /nfs/dbraw/zinc/69/54/31/585695431.db2.gz OZFBSBDSFKOCBK-UHFFFAOYSA-N -1 3 237.219 0.372 20 0 BCADHM O=C(CCC1CCOCC1)[N-]OCCO ZINC000776579958 585700942 /nfs/dbraw/zinc/70/09/42/585700942.db2.gz QVBYEHJCMFYMCN-UHFFFAOYSA-N -1 3 217.265 0.233 20 0 BCADHM COCc1noc(CO[N-]C(=O)C(C)(C)C)n1 ZINC000776833829 585705937 /nfs/dbraw/zinc/70/59/37/585705937.db2.gz WELPZNHSHHOAAE-UHFFFAOYSA-N -1 3 243.263 0.810 20 0 BCADHM COCCCCCOC(=O)c1cnn[n-]1 ZINC000805603101 585728156 /nfs/dbraw/zinc/72/81/56/585728156.db2.gz HBBPYJDBJAAKAL-UHFFFAOYSA-N -1 3 213.237 0.778 20 0 BCADHM COCCCCCOC(=O)c1c[n-]nn1 ZINC000805603101 585728157 /nfs/dbraw/zinc/72/81/57/585728157.db2.gz HBBPYJDBJAAKAL-UHFFFAOYSA-N -1 3 213.237 0.778 20 0 BCADHM CCCCOC(=O)[C@@H](C)OC(=O)c1cnn[n-]1 ZINC000805603429 585728407 /nfs/dbraw/zinc/72/84/07/585728407.db2.gz JWFDWRYOYBXUNS-SSDOTTSWSA-N -1 3 241.247 0.693 20 0 BCADHM CCCCOC(=O)[C@@H](C)OC(=O)c1c[n-]nn1 ZINC000805603429 585728408 /nfs/dbraw/zinc/72/84/08/585728408.db2.gz JWFDWRYOYBXUNS-SSDOTTSWSA-N -1 3 241.247 0.693 20 0 BCADHM COC(=O)/C(C)=C/COC(=O)c1cnn[n-]1 ZINC000805603691 585729570 /nfs/dbraw/zinc/72/95/70/585729570.db2.gz SFZPWFOALXRVOM-ZZXKWVIFSA-N -1 3 225.204 0.081 20 0 BCADHM COC(=O)/C(C)=C/COC(=O)c1c[n-]nn1 ZINC000805603691 585729571 /nfs/dbraw/zinc/72/95/71/585729571.db2.gz SFZPWFOALXRVOM-ZZXKWVIFSA-N -1 3 225.204 0.081 20 0 BCADHM CC(C)N(C)C(=O)[C@H](C)OC(=O)c1cnn[n-]1 ZINC000805603764 585730190 /nfs/dbraw/zinc/73/01/90/585730190.db2.gz VCANVVFNGYICDL-ZETCQYMHSA-N -1 3 240.263 0.217 20 0 BCADHM CC(C)N(C)C(=O)[C@H](C)OC(=O)c1c[n-]nn1 ZINC000805603764 585730191 /nfs/dbraw/zinc/73/01/91/585730191.db2.gz VCANVVFNGYICDL-ZETCQYMHSA-N -1 3 240.263 0.217 20 0 BCADHM O=C(COC(=O)c1cnn[n-]1)c1ccccc1 ZINC000805604527 585730780 /nfs/dbraw/zinc/73/07/80/585730780.db2.gz MMORSLVAMNCYRC-UHFFFAOYSA-N -1 3 231.211 0.844 20 0 BCADHM O=C(COC(=O)c1c[n-]nn1)c1ccccc1 ZINC000805604527 585730781 /nfs/dbraw/zinc/73/07/81/585730781.db2.gz MMORSLVAMNCYRC-UHFFFAOYSA-N -1 3 231.211 0.844 20 0 BCADHM C[C@H](OC(=O)c1cnn[n-]1)c1nc(C2CC2)no1 ZINC000805604849 585731446 /nfs/dbraw/zinc/73/14/46/585731446.db2.gz AWLXLGJHXJYUKH-YFKPBYRVSA-N -1 3 249.230 0.983 20 0 BCADHM C[C@H](OC(=O)c1c[n-]nn1)c1nc(C2CC2)no1 ZINC000805604849 585731447 /nfs/dbraw/zinc/73/14/47/585731447.db2.gz AWLXLGJHXJYUKH-YFKPBYRVSA-N -1 3 249.230 0.983 20 0 BCADHM O=C(OCc1cncc(F)c1)c1cnn[n-]1 ZINC000805606185 585732819 /nfs/dbraw/zinc/73/28/19/585732819.db2.gz UEZYTACDKMFQIM-UHFFFAOYSA-N -1 3 222.179 0.696 20 0 BCADHM O=C(OCc1cncc(F)c1)c1c[n-]nn1 ZINC000805606185 585732820 /nfs/dbraw/zinc/73/28/20/585732820.db2.gz UEZYTACDKMFQIM-UHFFFAOYSA-N -1 3 222.179 0.696 20 0 BCADHM CC(C)[C@H](C)NC(=O)COC(=O)c1cnn[n-]1 ZINC000805607925 585735417 /nfs/dbraw/zinc/73/54/17/585735417.db2.gz UGYTZNPVEXLMCJ-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM CC(C)[C@H](C)NC(=O)COC(=O)c1c[n-]nn1 ZINC000805607925 585735418 /nfs/dbraw/zinc/73/54/18/585735418.db2.gz UGYTZNPVEXLMCJ-ZETCQYMHSA-N -1 3 240.263 0.122 20 0 BCADHM CN(C)c1cc(COC(=O)c2cnn[n-]2)ccn1 ZINC000805608733 585735565 /nfs/dbraw/zinc/73/55/65/585735565.db2.gz IOMWKOHJBWXFDS-UHFFFAOYSA-N -1 3 247.258 0.623 20 0 BCADHM CN(C)c1cc(COC(=O)c2c[n-]nn2)ccn1 ZINC000805608733 585735566 /nfs/dbraw/zinc/73/55/66/585735566.db2.gz IOMWKOHJBWXFDS-UHFFFAOYSA-N -1 3 247.258 0.623 20 0 BCADHM CCCOC(=O)[C@H](C)OC(=O)c1cnn[n-]1 ZINC000805609299 585736100 /nfs/dbraw/zinc/73/61/00/585736100.db2.gz QCVNZRGPAGQMDS-LURJTMIESA-N -1 3 227.220 0.303 20 0 BCADHM CCCOC(=O)[C@H](C)OC(=O)c1c[n-]nn1 ZINC000805609299 585736101 /nfs/dbraw/zinc/73/61/01/585736101.db2.gz QCVNZRGPAGQMDS-LURJTMIESA-N -1 3 227.220 0.303 20 0 BCADHM CCNC(=O)COC(=O)c1ccc([O-])c(C)c1 ZINC000778853100 585741543 /nfs/dbraw/zinc/74/15/43/585741543.db2.gz ODDLPUDZNYPRKJ-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM COc1nnc(NC(=O)C=CSC)[n-]1 ZINC000778954913 585742897 /nfs/dbraw/zinc/74/28/97/585742897.db2.gz DNSOSOQXJKTIHE-ARJAWSKDSA-N -1 3 214.250 0.629 20 0 BCADHM COc1nc(NC(=O)C=CSC)n[n-]1 ZINC000778954913 585742898 /nfs/dbraw/zinc/74/28/98/585742898.db2.gz DNSOSOQXJKTIHE-ARJAWSKDSA-N -1 3 214.250 0.629 20 0 BCADHM COc1n[n-]c(NC(=O)/C=C\SC)n1 ZINC000778954913 585742899 /nfs/dbraw/zinc/74/28/99/585742899.db2.gz DNSOSOQXJKTIHE-ARJAWSKDSA-N -1 3 214.250 0.629 20 0 BCADHM CO[C@@H](C(=O)[N-]c1nnnn1C)c1ccccc1 ZINC000779465881 585755554 /nfs/dbraw/zinc/75/55/54/585755554.db2.gz AEDBEZXOFHPHLE-SECBINFHSA-N -1 3 247.258 0.536 20 0 BCADHM C[C@@H]1CN(C(=O)/C=C\c2cncc([O-])c2)C[C@H]1O ZINC000779678822 585758548 /nfs/dbraw/zinc/75/85/48/585758548.db2.gz FXEXWPDFFCFADA-FSZPXCJPSA-N -1 3 248.282 0.640 20 0 BCADHM CC[C@H](CO)C(=O)Nc1nnc(SC)[n-]1 ZINC000779750435 585761032 /nfs/dbraw/zinc/76/10/32/585761032.db2.gz CBRNPNWSXMHKSR-RXMQYKEDSA-N -1 3 230.293 0.484 20 0 BCADHM CC[C@H](CO)C(=O)Nc1nc(SC)n[n-]1 ZINC000779750435 585761033 /nfs/dbraw/zinc/76/10/33/585761033.db2.gz CBRNPNWSXMHKSR-RXMQYKEDSA-N -1 3 230.293 0.484 20 0 BCADHM CC[C@H](CO)C(=O)Nc1n[n-]c(SC)n1 ZINC000779750435 585761034 /nfs/dbraw/zinc/76/10/34/585761034.db2.gz CBRNPNWSXMHKSR-RXMQYKEDSA-N -1 3 230.293 0.484 20 0 BCADHM CC[C@@H](CO)C(=O)Nc1ncccc1[O-] ZINC000779835940 585768342 /nfs/dbraw/zinc/76/83/42/585768342.db2.gz WFHFVUOZUZBLPZ-ZETCQYMHSA-N -1 3 210.233 0.744 20 0 BCADHM O=C(NN1CCCC1=O)c1ccc2n[n-]nc2c1 ZINC000780702431 585783487 /nfs/dbraw/zinc/78/34/87/585783487.db2.gz XAFBPQMJNXCSPF-UHFFFAOYSA-N -1 3 245.242 0.225 20 0 BCADHM O=C(N[C@@H](CO)C1CC1)c1cccc([O-])c1 ZINC000781015919 585788741 /nfs/dbraw/zinc/78/87/41/585788741.db2.gz RHTMPVANCIQJDU-NSHDSACASA-N -1 3 221.256 0.893 20 0 BCADHM CCc1ccc([O-])c(C(=O)NN2CN=NC2=O)c1 ZINC000782122480 585808017 /nfs/dbraw/zinc/80/80/17/585808017.db2.gz DCZIYBGCZPBWPN-UHFFFAOYSA-N -1 3 248.242 0.636 20 0 BCADHM CC1(C)C[C@@H](N=c2ncnc3[nH][n-]cc2-3)C(=O)O1 ZINC000782352227 585816203 /nfs/dbraw/zinc/81/62/03/585816203.db2.gz GHRBVAJOSYRUSL-SSDOTTSWSA-N -1 3 247.258 0.232 20 0 BCADHM O=S(=O)([N-]Cc1ccon1)c1ccco1 ZINC000782469013 585818637 /nfs/dbraw/zinc/81/86/37/585818637.db2.gz ADICJGMDGVAKGD-UHFFFAOYSA-N -1 3 228.229 0.746 20 0 BCADHM CC(=O)[N-]OCc1nnc(C2CCC2)n1C ZINC000782948072 585826323 /nfs/dbraw/zinc/82/63/23/585826323.db2.gz NOVAQIHHPWKRIM-UHFFFAOYSA-N -1 3 224.264 0.650 20 0 BCADHM COC(=O)CCCOC(=O)c1cncc([O-])c1 ZINC000783154204 585828684 /nfs/dbraw/zinc/82/86/84/585828684.db2.gz HQGWBXBEJKDNAW-UHFFFAOYSA-N -1 3 239.227 0.897 20 0 BCADHM COC[C@H](C)OC(=O)c1cncc([O-])c1 ZINC000783624915 585837813 /nfs/dbraw/zinc/83/78/13/585837813.db2.gz PVJNVDYQZLRWMS-ZETCQYMHSA-N -1 3 211.217 0.979 20 0 BCADHM CC(C)[C@@H](F)C(=O)[N-]N1CN=NC1=O ZINC000784788284 585866246 /nfs/dbraw/zinc/86/62/46/585866246.db2.gz HVBJPRZYCCBXQA-RXMQYKEDSA-N -1 3 202.189 0.048 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1nncn1C1CC1 ZINC000786994847 585899580 /nfs/dbraw/zinc/89/95/80/585899580.db2.gz ICVCGRCDXMZWIC-UHFFFAOYSA-N -1 3 230.218 0.884 20 0 BCADHM NC(=O)C1([N-]C(=O)C(F)F)CCCCC1 ZINC000787111157 585901515 /nfs/dbraw/zinc/90/15/15/585901515.db2.gz PGMDKBRATUPQOO-UHFFFAOYSA-N -1 3 220.219 0.556 20 0 BCADHM C[C@@H](CC(=O)[N-]OCCO)c1ccncc1 ZINC000787283187 585904511 /nfs/dbraw/zinc/90/45/11/585904511.db2.gz BNJXRKNYHQHVQD-VIFPVBQESA-N -1 3 224.260 0.615 20 0 BCADHM C[C@@H](CC(=O)[N-]OCCO)c1cccnc1 ZINC000787286567 585905107 /nfs/dbraw/zinc/90/51/07/585905107.db2.gz ZVOHWUMJZIPKBB-VIFPVBQESA-N -1 3 224.260 0.615 20 0 BCADHM Cc1ccc(C(=O)NOCCO)c([O-])c1C ZINC000787287641 585905385 /nfs/dbraw/zinc/90/53/85/585905385.db2.gz XLGKMBGKELDXFT-UHFFFAOYSA-N -1 3 225.244 0.663 20 0 BCADHM Cc1nccn1CCCC(=O)[N-]OCCO ZINC000787294336 585905442 /nfs/dbraw/zinc/90/54/42/585905442.db2.gz NMCVADULMHKLGT-UHFFFAOYSA-N -1 3 227.264 0.012 20 0 BCADHM CC(C)[C@@H]1C[C@H](CC(=O)[N-]OCCO)CCO1 ZINC000787292023 585905472 /nfs/dbraw/zinc/90/54/72/585905472.db2.gz OTIZPIFFDWBTEW-MNOVXSKESA-N -1 3 245.319 0.868 20 0 BCADHM O=C(CCc1nc2ccccc2[nH]1)[N-]OCCO ZINC000787293525 585905554 /nfs/dbraw/zinc/90/55/54/585905554.db2.gz YZVAQBMGALVYSC-UHFFFAOYSA-N -1 3 249.270 0.536 20 0 BCADHM Cc1nc(Cl)ccc1CC(=O)[N-]OCCO ZINC000787293889 585905584 /nfs/dbraw/zinc/90/55/84/585905584.db2.gz MHOVMMUUHOYLGO-UHFFFAOYSA-N -1 3 244.678 0.626 20 0 BCADHM CC(C)[C@H]1C[C@H](CC(=O)[N-]OCCO)CCO1 ZINC000787292022 585905610 /nfs/dbraw/zinc/90/56/10/585905610.db2.gz OTIZPIFFDWBTEW-GHMZBOCLSA-N -1 3 245.319 0.868 20 0 BCADHM O=C(CCCOc1cccnc1)[N-]OCCO ZINC000787292894 585905714 /nfs/dbraw/zinc/90/57/14/585905714.db2.gz TXXGKNOFYMIJMZ-UHFFFAOYSA-N -1 3 240.259 0.281 20 0 BCADHM CC[C@@H]1C[C@@H](CC(=O)[N-]OCCO)CCO1 ZINC000787296126 585905807 /nfs/dbraw/zinc/90/58/07/585905807.db2.gz UWAJHJZSVJOESK-VHSXEESVSA-N -1 3 231.292 0.622 20 0 BCADHM O=C(CCOc1cccc(F)c1)[N-]OCCO ZINC000787297926 585906081 /nfs/dbraw/zinc/90/60/81/585906081.db2.gz BNIJLZQGDGBHGS-UHFFFAOYSA-N -1 3 243.234 0.635 20 0 BCADHM CCO[C@@H](CC(=O)[N-]OCCO)C(C)C ZINC000787298583 585906118 /nfs/dbraw/zinc/90/61/18/585906118.db2.gz BQAJWSATBUJKIQ-VIFPVBQESA-N -1 3 219.281 0.478 20 0 BCADHM COCCO[N-]C(=O)CCC(C)(C)O ZINC000787409323 585908957 /nfs/dbraw/zinc/90/89/57/585908957.db2.gz MIWKYQJLIOFJHQ-UHFFFAOYSA-N -1 3 205.254 0.232 20 0 BCADHM C[C@H](OC(=O)c1cncc([O-])c1)c1nnnn1C ZINC000787701335 585914354 /nfs/dbraw/zinc/91/43/54/585914354.db2.gz AQXNJWZHCTUNSV-LURJTMIESA-N -1 3 249.230 0.229 20 0 BCADHM COCCCCC(=O)[N-]OCC(C)(C)O ZINC000788222177 585919571 /nfs/dbraw/zinc/91/95/71/585919571.db2.gz GBTYCUXAXHWQFA-UHFFFAOYSA-N -1 3 219.281 0.622 20 0 BCADHM CCN(CC(=O)[N-]OCC(C)(C)O)C1CC1 ZINC000788219750 585919587 /nfs/dbraw/zinc/91/95/87/585919587.db2.gz GHUKMDFSNWGOBY-UHFFFAOYSA-N -1 3 230.308 0.289 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CC1(O)CCCCC1 ZINC000788219895 585919693 /nfs/dbraw/zinc/91/96/93/585919693.db2.gz KEAXXHVYVGBENE-UHFFFAOYSA-N -1 3 245.319 0.890 20 0 BCADHM CCO[N-]C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000788264581 585920147 /nfs/dbraw/zinc/92/01/47/585920147.db2.gz FOGALGAVUDLOFP-RNFRBKRXSA-N -1 3 223.294 0.123 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)C1=COCC1 ZINC000788275357 585920656 /nfs/dbraw/zinc/92/06/56/585920656.db2.gz VAPHNBDAMGJDFA-QMMMGPOBSA-N -1 3 213.233 0.375 20 0 BCADHM [O-]C(=NOC[C@H]1CCOC1)Nc1ccon1 ZINC000788296586 585921139 /nfs/dbraw/zinc/92/11/39/585921139.db2.gz LWUWPLWPOABZGD-ZETCQYMHSA-N -1 3 227.220 0.764 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)Nc1ccon1 ZINC000788296586 585921140 /nfs/dbraw/zinc/92/11/40/585921140.db2.gz LWUWPLWPOABZGD-ZETCQYMHSA-N -1 3 227.220 0.764 20 0 BCADHM CCn1nccc1NC(=O)c1n[n-]nc1C ZINC000789924624 585953608 /nfs/dbraw/zinc/95/36/08/585953608.db2.gz NDSXQRWFOVCJRQ-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM CN(C)C(=O)COC(=O)c1cccc2nn[n-]c21 ZINC000790074819 585957427 /nfs/dbraw/zinc/95/74/27/585957427.db2.gz UEMOZUFXTBPSJF-UHFFFAOYSA-N -1 3 248.242 0.203 20 0 BCADHM CN(C)C(=O)COC(=O)c1cccc2[n-]nnc21 ZINC000790074819 585957428 /nfs/dbraw/zinc/95/74/28/585957428.db2.gz UEMOZUFXTBPSJF-UHFFFAOYSA-N -1 3 248.242 0.203 20 0 BCADHM CN(C)C(=O)COC(=O)c1cccc2n[n-]nc21 ZINC000790074819 585957429 /nfs/dbraw/zinc/95/74/29/585957429.db2.gz UEMOZUFXTBPSJF-UHFFFAOYSA-N -1 3 248.242 0.203 20 0 BCADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](CO)C2CC2)n1 ZINC000790338237 585963771 /nfs/dbraw/zinc/96/37/71/585963771.db2.gz LEMDRWVALRCVLG-WPRPVWTQSA-N -1 3 237.303 0.912 20 0 BCADHM [O-]C(=NOCCO)Nc1ccc2c(c1)OCO2 ZINC000790576311 585966592 /nfs/dbraw/zinc/96/65/92/585966592.db2.gz IIQVZETVMCZFDG-UHFFFAOYSA-N -1 3 240.215 0.461 20 0 BCADHM O=C([N-]OCCO)Nc1ccc2c(c1)OCO2 ZINC000790576311 585966593 /nfs/dbraw/zinc/96/65/93/585966593.db2.gz IIQVZETVMCZFDG-UHFFFAOYSA-N -1 3 240.215 0.461 20 0 BCADHM CCO[N-]C(=O)C1CN(CC(F)F)C1 ZINC000791311646 585976258 /nfs/dbraw/zinc/97/62/58/585976258.db2.gz NNXOOBUIRGERPT-UHFFFAOYSA-N -1 3 208.208 0.251 20 0 BCADHM COC/C=C/C(=O)[N-]O[C@H]1CCCCO1 ZINC000791343867 585978170 /nfs/dbraw/zinc/97/81/70/585978170.db2.gz PPGXXOSMVTZGEG-YEZKRMTDSA-N -1 3 215.249 0.763 20 0 BCADHM COC/C=C/C(=O)[N-]OCc1cccnc1 ZINC000791386989 585980083 /nfs/dbraw/zinc/98/00/83/585980083.db2.gz FWKQXUUUSSYWQO-HWKANZROSA-N -1 3 222.244 0.832 20 0 BCADHM CO[N-]C(=O)CCc1ccccc1C(N)=O ZINC000792051067 585994992 /nfs/dbraw/zinc/99/49/92/585994992.db2.gz LJEPZPHMJMAMGG-UHFFFAOYSA-N -1 3 222.244 0.396 20 0 BCADHM CCc1nnc(NC([O-])=NOCCO)s1 ZINC000792201387 585997665 /nfs/dbraw/zinc/99/76/65/585997665.db2.gz BRYOHCOWBRTLLX-UHFFFAOYSA-N -1 3 232.265 0.146 20 0 BCADHM CCc1nnc(NC(=O)[N-]OCCO)s1 ZINC000792201387 585997666 /nfs/dbraw/zinc/99/76/66/585997666.db2.gz BRYOHCOWBRTLLX-UHFFFAOYSA-N -1 3 232.265 0.146 20 0 BCADHM CCc1nnc(NC([O-])=NOCCOC)s1 ZINC000792203456 585997772 /nfs/dbraw/zinc/99/77/72/585997772.db2.gz UYSWXTRTQVFVFM-UHFFFAOYSA-N -1 3 246.292 0.800 20 0 BCADHM CCc1nnc(NC(=O)[N-]OCCOC)s1 ZINC000792203456 585997773 /nfs/dbraw/zinc/99/77/73/585997773.db2.gz UYSWXTRTQVFVFM-UHFFFAOYSA-N -1 3 246.292 0.800 20 0 BCADHM [O-]C(=NOCCO)Nc1ccc2c(c1)CCO2 ZINC000792230263 585998374 /nfs/dbraw/zinc/99/83/74/585998374.db2.gz IHTKVTHYBVGOIY-UHFFFAOYSA-N -1 3 238.243 0.667 20 0 BCADHM O=C([N-]OCCO)Nc1ccc2c(c1)CCO2 ZINC000792230263 585998375 /nfs/dbraw/zinc/99/83/75/585998375.db2.gz IHTKVTHYBVGOIY-UHFFFAOYSA-N -1 3 238.243 0.667 20 0 BCADHM O=C(NN1CCCCC1)c1csc(=O)[n-]1 ZINC000792278482 585998926 /nfs/dbraw/zinc/99/89/26/585998926.db2.gz ZGOFRLIIDLSCOT-UHFFFAOYSA-N -1 3 227.289 0.979 20 0 BCADHM COc1ccc(C)nc1NC([O-])=NOCCO ZINC000792366471 586000028 /nfs/dbraw/zinc/00/00/28/586000028.db2.gz UXJCFYRFFJQDNZ-UHFFFAOYSA-N -1 3 241.247 0.444 20 0 BCADHM COc1ccc(C)nc1NC(=O)[N-]OCCO ZINC000792366471 586000029 /nfs/dbraw/zinc/00/00/29/586000029.db2.gz UXJCFYRFFJQDNZ-UHFFFAOYSA-N -1 3 241.247 0.444 20 0 BCADHM COc1cc(NC([O-])=NOCCO)ccc1F ZINC000792398864 586000526 /nfs/dbraw/zinc/00/05/26/586000526.db2.gz GYLIEWHVZHPBGQ-UHFFFAOYSA-N -1 3 244.222 0.880 20 0 BCADHM COc1cc(NC(=O)[N-]OCCO)ccc1F ZINC000792398864 586000527 /nfs/dbraw/zinc/00/05/27/586000527.db2.gz GYLIEWHVZHPBGQ-UHFFFAOYSA-N -1 3 244.222 0.880 20 0 BCADHM CC(C)(C(=O)[N-]N1CN=NC1=O)C(F)F ZINC000792657471 586003806 /nfs/dbraw/zinc/00/38/06/586003806.db2.gz DDZBNUSXJPXYPD-UHFFFAOYSA-N -1 3 220.179 0.345 20 0 BCADHM COCCO[N-]C(=O)CCc1c[nH]cn1 ZINC000793616577 586024250 /nfs/dbraw/zinc/02/42/50/586024250.db2.gz UPDGCGQRVDUMIZ-UHFFFAOYSA-N -1 3 213.237 0.037 20 0 BCADHM COCCO[N-]C(=O)CCc1cnc[nH]1 ZINC000793616577 586024251 /nfs/dbraw/zinc/02/42/51/586024251.db2.gz UPDGCGQRVDUMIZ-UHFFFAOYSA-N -1 3 213.237 0.037 20 0 BCADHM COCCO[N-]C(=O)Cc1ccc2c[nH]nc2c1 ZINC000793621417 586024340 /nfs/dbraw/zinc/02/43/40/586024340.db2.gz YZVXXLDLOGSQOK-UHFFFAOYSA-N -1 3 249.270 0.800 20 0 BCADHM COCCO[N-]C(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000793612377 586024368 /nfs/dbraw/zinc/02/43/68/586024368.db2.gz AJTDEYMCUXUKGX-DTWKUNHWSA-N -1 3 229.276 0.686 20 0 BCADHM CC[C@H](C)CC[C@H](O)CC(=O)[N-]OCC(N)=O ZINC000793773212 586026192 /nfs/dbraw/zinc/02/61/92/586026192.db2.gz LPFNIAHLMACPHN-IUCAKERBSA-N -1 3 246.307 0.097 20 0 BCADHM CSCCO[N-]C(=O)[C@@H](C(C)C)N(C)C ZINC000794188668 586034612 /nfs/dbraw/zinc/03/46/12/586034612.db2.gz SRPYFMPKJWLTDQ-SECBINFHSA-N -1 3 234.365 0.983 20 0 BCADHM CCn1cc(CC(=O)[N-]OCCSC)cn1 ZINC000794193080 586034836 /nfs/dbraw/zinc/03/48/36/586034836.db2.gz WPNGUIUMERLPMW-UHFFFAOYSA-N -1 3 243.332 0.856 20 0 BCADHM CC(C)(O)CON=C([O-])Nc1ccncn1 ZINC000794302673 586037581 /nfs/dbraw/zinc/03/75/81/586037581.db2.gz YONOYROALSPIHI-UHFFFAOYSA-N -1 3 226.236 0.301 20 0 BCADHM CC(C)(O)CO[N-]C(=O)Nc1ccncn1 ZINC000794302673 586037582 /nfs/dbraw/zinc/03/75/82/586037582.db2.gz YONOYROALSPIHI-UHFFFAOYSA-N -1 3 226.236 0.301 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000794843982 586050446 /nfs/dbraw/zinc/05/04/46/586050446.db2.gz UFKZTNXDKQFRDX-IUCAKERBSA-N -1 3 249.332 0.515 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000794843980 586050766 /nfs/dbraw/zinc/05/07/66/586050766.db2.gz UFKZTNXDKQFRDX-BDAKNGLRSA-N -1 3 249.332 0.515 20 0 BCADHM Cc1nnc(COC(=O)c2ccc([O-])cc2O)[nH]1 ZINC000795254626 586073628 /nfs/dbraw/zinc/07/36/28/586073628.db2.gz MHAMDUMUWAEIGG-UHFFFAOYSA-N -1 3 249.226 0.881 20 0 BCADHM COCC(=O)COC(=O)c1ccc(F)cc1[O-] ZINC000795563833 586085970 /nfs/dbraw/zinc/08/59/70/586085970.db2.gz XUBORQLNWCCTBV-UHFFFAOYSA-N -1 3 242.202 0.904 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCCC(=O)N(C)C ZINC000795576415 586086739 /nfs/dbraw/zinc/08/67/39/586086739.db2.gz ZYWWXRADBCEWJB-UHFFFAOYSA-N -1 3 240.263 0.138 20 0 BCADHM [O-]C(=NOCCO)Nc1cccc2c1CCO2 ZINC000797670865 586130196 /nfs/dbraw/zinc/13/01/96/586130196.db2.gz ZESCXKVMCWEXRJ-UHFFFAOYSA-N -1 3 238.243 0.667 20 0 BCADHM O=C([N-]OCCO)Nc1cccc2c1CCO2 ZINC000797670865 586130197 /nfs/dbraw/zinc/13/01/97/586130197.db2.gz ZESCXKVMCWEXRJ-UHFFFAOYSA-N -1 3 238.243 0.667 20 0 BCADHM CC(=O)OCCNC(=O)c1cc(C)ccc1[O-] ZINC000798136618 586137954 /nfs/dbraw/zinc/13/79/54/586137954.db2.gz DQAXPQYETZVHIS-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM Cc1nnc(NC[C@@H](C)O)c(-c2nnn[n-]2)c1C ZINC000103602066 586141915 /nfs/dbraw/zinc/14/19/15/586141915.db2.gz HCVHSVCVEQRTPU-RXMQYKEDSA-N -1 3 249.278 0.066 20 0 BCADHM Cc1nnc(NC[C@@H](C)O)c(-c2nn[n-]n2)c1C ZINC000103602066 586141916 /nfs/dbraw/zinc/14/19/16/586141916.db2.gz HCVHSVCVEQRTPU-RXMQYKEDSA-N -1 3 249.278 0.066 20 0 BCADHM [O-]C(=NOCCO)Nc1cncc(F)c1 ZINC000799234165 586168439 /nfs/dbraw/zinc/16/84/39/586168439.db2.gz LQMMGBWIEFNSKY-UHFFFAOYSA-N -1 3 215.184 0.266 20 0 BCADHM O=C([N-]OCCO)Nc1cncc(F)c1 ZINC000799234165 586168440 /nfs/dbraw/zinc/16/84/40/586168440.db2.gz LQMMGBWIEFNSKY-UHFFFAOYSA-N -1 3 215.184 0.266 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)C1COC1)c1ccns1 ZINC000859400020 589035521 /nfs/dbraw/zinc/03/55/21/589035521.db2.gz GNXFFVIAKQYHPK-ZCFIWIBFSA-N -1 3 248.329 0.522 20 0 BCADHM Cc1ccc([O-])c(NC(=O)c2cnn(C)n2)n1 ZINC000803258062 586341039 /nfs/dbraw/zinc/34/10/39/586341039.db2.gz MMJISRUEGGRPSN-UHFFFAOYSA-N -1 3 233.231 0.476 20 0 BCADHM COCCCO[N-]C(=O)Nc1ccon1 ZINC000806384242 586410674 /nfs/dbraw/zinc/41/06/74/586410674.db2.gz SYOLDRKIBOMKBV-UHFFFAOYSA-N -1 3 215.209 0.764 20 0 BCADHM COCCCON=C([O-])Nc1ccon1 ZINC000806384242 586410672 /nfs/dbraw/zinc/41/06/72/586410672.db2.gz SYOLDRKIBOMKBV-UHFFFAOYSA-N -1 3 215.209 0.764 20 0 BCADHM CCOCCO[N-]C(=O)c1cccnc1F ZINC000807267668 586430947 /nfs/dbraw/zinc/43/09/47/586430947.db2.gz ANDNTJXCAQQLBF-UHFFFAOYSA-N -1 3 228.223 0.919 20 0 BCADHM Cc1cccc(C(=O)NCCn2cnnn2)c1[O-] ZINC000807921307 586451622 /nfs/dbraw/zinc/45/16/22/586451622.db2.gz TXYWRFLGOJRYFC-UHFFFAOYSA-N -1 3 247.258 0.117 20 0 BCADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ncn(C)n1 ZINC000808466392 586474828 /nfs/dbraw/zinc/47/48/28/586474828.db2.gz CQBJOMOMTKVHTD-RXMQYKEDSA-N -1 3 218.207 0.648 20 0 BCADHM Cc1nnc([C@H](C)[N-]C(=O)C(C)(F)F)[nH]1 ZINC000808470758 586475465 /nfs/dbraw/zinc/47/54/65/586475465.db2.gz IARRMEXCPVXNIP-BYPYZUCNSA-N -1 3 218.207 0.946 20 0 BCADHM Cc1nnc([C@@H](C)[N-]C(=O)C(C)(F)F)[nH]1 ZINC000808470759 586475641 /nfs/dbraw/zinc/47/56/41/586475641.db2.gz IARRMEXCPVXNIP-SCSAIBSYSA-N -1 3 218.207 0.946 20 0 BCADHM COc1nnccc1[N-]C(=O)c1cnsn1 ZINC000809376373 586505115 /nfs/dbraw/zinc/50/51/15/586505115.db2.gz IMXKVENRCLEMSN-UHFFFAOYSA-N -1 3 237.244 0.589 20 0 BCADHM O=C(OCCOC1CCOCC1)c1cnn[n-]1 ZINC000859692977 589055213 /nfs/dbraw/zinc/05/52/13/589055213.db2.gz QDAITYJSINYUOS-UHFFFAOYSA-N -1 3 241.247 0.157 20 0 BCADHM O=C(OCCOC1CCOCC1)c1c[n-]nn1 ZINC000859692977 589055215 /nfs/dbraw/zinc/05/52/15/589055215.db2.gz QDAITYJSINYUOS-UHFFFAOYSA-N -1 3 241.247 0.157 20 0 BCADHM CCOC(=O)c1c(C)onc1CO[N-]C(C)=O ZINC000809994770 586529441 /nfs/dbraw/zinc/52/94/41/586529441.db2.gz GJAQWFKWDGEGBA-UHFFFAOYSA-N -1 3 242.231 0.727 20 0 BCADHM Cc1nc([C@@H](C)OC(=O)c2cnn[n-]2)no1 ZINC000811223846 586557525 /nfs/dbraw/zinc/55/75/25/586557525.db2.gz NJYJBTJJWJAAOO-SCSAIBSYSA-N -1 3 223.192 0.414 20 0 BCADHM Cc1nc([C@@H](C)OC(=O)c2c[n-]nn2)no1 ZINC000811223846 586557526 /nfs/dbraw/zinc/55/75/26/586557526.db2.gz NJYJBTJJWJAAOO-SCSAIBSYSA-N -1 3 223.192 0.414 20 0 BCADHM CCc1cc(C(=O)O[C@@H]2CCNC2=O)ccc1[O-] ZINC000811305619 586558012 /nfs/dbraw/zinc/55/80/12/586558012.db2.gz PVXMCQRIVOTPQQ-LLVKDONJSA-N -1 3 249.266 1.000 20 0 BCADHM CN1CC[C@@H](C(=O)[N-]OC/C=C/Cl)CC1=O ZINC000812400688 586575697 /nfs/dbraw/zinc/57/56/97/586575697.db2.gz BQYKGCLMLMWFHR-BYDTYLDUSA-N -1 3 246.694 0.655 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OCCOC(C)C ZINC000812802911 586586346 /nfs/dbraw/zinc/58/63/46/586586346.db2.gz ZQMMHXYUKJBUQU-DTWKUNHWSA-N -1 3 245.275 0.268 20 0 BCADHM CO[C@@H](C)CC(=O)[N-]OCCOC(C)C ZINC000812804449 586586651 /nfs/dbraw/zinc/58/66/51/586586651.db2.gz NCZJVNIOJMAQTB-VIFPVBQESA-N -1 3 219.281 0.884 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@H]1CCCN1C ZINC000812808692 586587017 /nfs/dbraw/zinc/58/70/17/586587017.db2.gz IQWAVDIGFSDKIW-SNVBAGLBSA-N -1 3 230.308 0.553 20 0 BCADHM CC(C)OCCO[N-]C(=O)CCc1nnc[nH]1 ZINC000812809800 586587211 /nfs/dbraw/zinc/58/72/11/586587211.db2.gz LBKYRVSDMMZNOE-UHFFFAOYSA-N -1 3 242.279 0.210 20 0 BCADHM CC(C)OCCO[N-]C(=O)CCc1nc[nH]n1 ZINC000812809800 586587212 /nfs/dbraw/zinc/58/72/12/586587212.db2.gz LBKYRVSDMMZNOE-UHFFFAOYSA-N -1 3 242.279 0.210 20 0 BCADHM CO[N-]C(=O)C[C@@H](O)Cc1ccccc1 ZINC000813404931 586601967 /nfs/dbraw/zinc/60/19/67/586601967.db2.gz PAQOJGQJWPDXKL-JTQLQIEISA-N -1 3 209.245 0.658 20 0 BCADHM COC(=O)c1cc(C(=O)OC[C@H](C)O)c[n-]1 ZINC000814531386 586623824 /nfs/dbraw/zinc/62/38/24/586623824.db2.gz QVWXBBVISZJTRC-LURJTMIESA-N -1 3 227.216 0.339 20 0 BCADHM COCCO[N-]C(=O)CCc1ccnc(C)n1 ZINC000815754238 586693369 /nfs/dbraw/zinc/69/33/69/586693369.db2.gz GXPWNZBUNAQUSY-UHFFFAOYSA-N -1 3 239.275 0.412 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1CCNC(=O)CC1 ZINC000815881490 586695721 /nfs/dbraw/zinc/69/57/21/586695721.db2.gz PPKBRLRUSXCOOY-QMMMGPOBSA-N -1 3 249.270 0.064 20 0 BCADHM C[C@@H]1C(=O)CC[C@H]1CC(=O)[N-]OCC(C)(C)O ZINC000816383158 586722942 /nfs/dbraw/zinc/72/29/42/586722942.db2.gz JUTUJRXYFKPKKG-IUCAKERBSA-N -1 3 243.303 0.810 20 0 BCADHM CO[N-]C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC000816846272 586768084 /nfs/dbraw/zinc/76/80/84/586768084.db2.gz VEPCPRFTFUPNRU-MRVPVSSYSA-N -1 3 209.249 0.432 20 0 BCADHM CO[N-]C(=O)Cc1ccncc1Cl ZINC000816845770 586768486 /nfs/dbraw/zinc/76/84/86/586768486.db2.gz BOFXOCUQEBVGFK-UHFFFAOYSA-N -1 3 200.625 0.955 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCO[C@@H]2C[C@@H]21 ZINC000816899794 586770043 /nfs/dbraw/zinc/77/00/43/586770043.db2.gz AQVJHDYSCVOOQR-YSPFUZRBSA-N -1 3 246.266 0.800 20 0 BCADHM Cc1nc([N-]C(=O)c2cccnc2F)nn1C ZINC000817018811 586778717 /nfs/dbraw/zinc/77/87/17/586778717.db2.gz YKYBJLQBFVJLGJ-UHFFFAOYSA-N -1 3 235.222 0.910 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]OCC1CC1 ZINC000817344539 586798034 /nfs/dbraw/zinc/79/80/34/586798034.db2.gz KAYKXOOZEOGWNH-JGVFFNPUSA-N -1 3 213.233 0.253 20 0 BCADHM O=C(CCc1nnc[nH]1)[N-]OCCC1CC1 ZINC000817420925 586803584 /nfs/dbraw/zinc/80/35/84/586803584.db2.gz GFGIFAHBDGIERG-UHFFFAOYSA-N -1 3 224.264 0.585 20 0 BCADHM O=C([N-]OCCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000817426315 586804412 /nfs/dbraw/zinc/80/44/12/586804412.db2.gz XWZGJLVFORGPFC-VIFPVBQESA-N -1 3 247.316 0.269 20 0 BCADHM O=C(c1nnc[n-]1)N1C[C@@H](CO)c2ccccc21 ZINC000817790168 586828282 /nfs/dbraw/zinc/82/82/82/586828282.db2.gz NEABFOYJAAZCLB-QMMMGPOBSA-N -1 3 244.254 0.541 20 0 BCADHM O=C(c1nc[n-]n1)N1C[C@@H](CO)c2ccccc21 ZINC000817790168 586828283 /nfs/dbraw/zinc/82/82/83/586828283.db2.gz NEABFOYJAAZCLB-QMMMGPOBSA-N -1 3 244.254 0.541 20 0 BCADHM CO[C@H](C)CNC(=O)c1ccc(N)cc1[O-] ZINC000817996469 586863328 /nfs/dbraw/zinc/86/33/28/586863328.db2.gz CFPDTTRRDOQUMS-SSDOTTSWSA-N -1 3 224.260 0.739 20 0 BCADHM CCCCCNC(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC000818162085 586877824 /nfs/dbraw/zinc/87/78/24/586877824.db2.gz QISDGCVBFUDXDI-JTQLQIEISA-N -1 3 242.319 0.699 20 0 BCADHM CCN1C[C@@H](C)[C@@H](NC(=O)NCCC(=O)[O-])C1 ZINC000818207536 586879931 /nfs/dbraw/zinc/87/99/31/586879931.db2.gz JMVOZHVZEPICOQ-BDAKNGLRSA-N -1 3 243.307 0.101 20 0 BCADHM COC(=O)/C(C)=C/CN1CCC[C@@H]1C(=O)[O-] ZINC000818500703 586896014 /nfs/dbraw/zinc/89/60/14/586896014.db2.gz YMFAKJVDUAHRHN-WHXYTISESA-N -1 3 227.260 0.655 20 0 BCADHM COc1coc(CN(C)[C@@H](C)C(=O)[O-])cc1=O ZINC000818635781 586908686 /nfs/dbraw/zinc/90/86/86/586908686.db2.gz LLQIWDKIDUPGMF-ZETCQYMHSA-N -1 3 241.243 0.553 20 0 BCADHM COCCO[N-]C(=O)/C=C\[C@H]1CCCO1 ZINC000819356445 586956179 /nfs/dbraw/zinc/95/61/79/586956179.db2.gz YNYFYZPTDOPJIL-XRVBUDJMSA-N -1 3 215.249 0.416 20 0 BCADHM COCCO[N-]C(=O)/C=C/[C@H]1CCCO1 ZINC000819356444 586956489 /nfs/dbraw/zinc/95/64/89/586956489.db2.gz YNYFYZPTDOPJIL-XNPJLODASA-N -1 3 215.249 0.416 20 0 BCADHM COCCO[N-]C(=O)/C=C\[C@@H]1CCCO1 ZINC000819356443 586956618 /nfs/dbraw/zinc/95/66/18/586956618.db2.gz YNYFYZPTDOPJIL-WBSSQXGSSA-N -1 3 215.249 0.416 20 0 BCADHM O=C([O-])CN1CCC[C@@H]1COC(=O)C1CCC1 ZINC000819513552 586972159 /nfs/dbraw/zinc/97/21/59/586972159.db2.gz NATDMGZVIIBSHU-SNVBAGLBSA-N -1 3 241.287 0.879 20 0 BCADHM CC(=O)N1CCN(CC(=O)[O-])C(C)(C)C1 ZINC000819737319 586989820 /nfs/dbraw/zinc/98/98/20/586989820.db2.gz PPFNJUSAXSTCLF-UHFFFAOYSA-N -1 3 214.265 0.014 20 0 BCADHM CC(=O)CCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819760074 586990633 /nfs/dbraw/zinc/99/06/33/586990633.db2.gz MMDVPVJHZUBZHJ-ZETCQYMHSA-N -1 3 214.290 0.963 20 0 BCADHM CC(=O)N(C)CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819767286 586991471 /nfs/dbraw/zinc/99/14/71/586991471.db2.gz ZOFJMXHGCHLZDQ-LURJTMIESA-N -1 3 229.305 0.072 20 0 BCADHM CO[C@H](C)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819766455 586991670 /nfs/dbraw/zinc/99/16/70/586991670.db2.gz OKQISZLLTFLXMA-PHDIDXHHSA-N -1 3 202.279 0.629 20 0 BCADHM COCCOCC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819775320 586992721 /nfs/dbraw/zinc/99/27/21/586992721.db2.gz ZLYNZAQXEHYQRU-SSDOTTSWSA-N -1 3 232.305 0.257 20 0 BCADHM CC[C@@H](O)CC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819779908 586993839 /nfs/dbraw/zinc/99/38/39/586993839.db2.gz CGPDRORDZIPTRT-NKWVEPMBSA-N -1 3 216.306 0.755 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CCC(C)=O ZINC000819939760 587004364 /nfs/dbraw/zinc/00/43/64/587004364.db2.gz TYWDXBCDNLKCTB-UHFFFAOYSA-N -1 3 231.248 0.357 20 0 BCADHM CC(C)[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000820183418 587032892 /nfs/dbraw/zinc/03/28/92/587032892.db2.gz BBFKFVIYYPFJFF-SNVBAGLBSA-N -1 3 248.290 0.691 20 0 BCADHM CC(C)[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000820183418 587032893 /nfs/dbraw/zinc/03/28/93/587032893.db2.gz BBFKFVIYYPFJFF-SNVBAGLBSA-N -1 3 248.290 0.691 20 0 BCADHM CC[C@H](NCCC(=O)[O-])c1nccn1C ZINC000820285317 587040800 /nfs/dbraw/zinc/04/08/00/587040800.db2.gz YZBWBTFJGFLZNG-QMMMGPOBSA-N -1 3 211.265 0.936 20 0 BCADHM C[C@H](CO)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820287594 587041133 /nfs/dbraw/zinc/04/11/33/587041133.db2.gz OESKTHNVBFTISD-ZCFIWIBFSA-N -1 3 237.238 0.799 20 0 BCADHM C[C@H](CO)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820287594 587041135 /nfs/dbraw/zinc/04/11/35/587041135.db2.gz OESKTHNVBFTISD-ZCFIWIBFSA-N -1 3 237.238 0.799 20 0 BCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC000820384487 587045280 /nfs/dbraw/zinc/04/52/80/587045280.db2.gz GKMYEGNWZZMZSL-LURJTMIESA-N -1 3 246.274 0.723 20 0 BCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC000820384487 587045281 /nfs/dbraw/zinc/04/52/81/587045281.db2.gz GKMYEGNWZZMZSL-LURJTMIESA-N -1 3 246.274 0.723 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1nnc2n1CCC2 ZINC000820422923 587047715 /nfs/dbraw/zinc/04/77/15/587047715.db2.gz OJCPBPVPZGUXCL-UHFFFAOYSA-N -1 3 244.245 0.886 20 0 BCADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000820555817 587054197 /nfs/dbraw/zinc/05/41/97/587054197.db2.gz PWWANEWZXYCXKC-ZCFIWIBFSA-N -1 3 249.299 0.833 20 0 BCADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000820555817 587054199 /nfs/dbraw/zinc/05/41/99/587054199.db2.gz PWWANEWZXYCXKC-ZCFIWIBFSA-N -1 3 249.299 0.833 20 0 BCADHM CN(C)c1ccc(CN(C)CC(=O)[O-])cn1 ZINC000820569141 587055474 /nfs/dbraw/zinc/05/54/74/587055474.db2.gz LMKIZMMYQJLWPY-UHFFFAOYSA-N -1 3 223.276 0.664 20 0 BCADHM CN(C)C(=O)c1ccc(CN(C)CC(=O)[O-])[nH]1 ZINC000820569216 587055480 /nfs/dbraw/zinc/05/54/80/587055480.db2.gz OLHJXBDAAWZHJD-UHFFFAOYSA-N -1 3 239.275 0.233 20 0 BCADHM CN(CC(=O)[O-])Cc1cccc2nccn21 ZINC000820568861 587055637 /nfs/dbraw/zinc/05/56/37/587055637.db2.gz DSXVXASJPKASNA-UHFFFAOYSA-N -1 3 219.244 0.851 20 0 BCADHM C[C@H]1C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820668092 587064472 /nfs/dbraw/zinc/06/44/72/587064472.db2.gz PHVGYYRJTUKXMQ-BQBZGAKWSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@H]1C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820668092 587064474 /nfs/dbraw/zinc/06/44/74/587064474.db2.gz PHVGYYRJTUKXMQ-BQBZGAKWSA-N -1 3 246.274 0.581 20 0 BCADHM COC(=O)c1ccc2c(c1)CN(CC(=O)[O-])CC2 ZINC000820689421 587066100 /nfs/dbraw/zinc/06/61/00/587066100.db2.gz KIRNZYMNCHZIFJ-UHFFFAOYSA-N -1 3 249.266 0.916 20 0 BCADHM COCCn1cc(CN(C)CC(=O)[O-])cn1 ZINC000820738652 587069577 /nfs/dbraw/zinc/06/95/77/587069577.db2.gz QLDHVUNFEJRJJM-UHFFFAOYSA-N -1 3 227.264 0.046 20 0 BCADHM CO[N-]C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000820844702 587076282 /nfs/dbraw/zinc/07/62/82/587076282.db2.gz MLCKTSVVTUVCCQ-ZJUUUORDSA-N -1 3 240.303 0.845 20 0 BCADHM CO[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000820845345 587076964 /nfs/dbraw/zinc/07/69/64/587076964.db2.gz WIXRHPOADBKYGY-IWSPIJDZSA-N -1 3 226.276 0.359 20 0 BCADHM COc1cccc([C@@H](CO)NCC(=O)[O-])c1 ZINC000820858822 587078097 /nfs/dbraw/zinc/07/80/97/587078097.db2.gz UOYDJWGBTRLMDB-SNVBAGLBSA-N -1 3 225.244 0.403 20 0 BCADHM CC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820877078 587079182 /nfs/dbraw/zinc/07/91/82/587079182.db2.gz ZOJPMTOITNDYJS-SSDOTTSWSA-N -1 3 248.290 0.734 20 0 BCADHM CC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820877078 587079184 /nfs/dbraw/zinc/07/91/84/587079184.db2.gz ZOJPMTOITNDYJS-SSDOTTSWSA-N -1 3 248.290 0.734 20 0 BCADHM CCn1c(=O)[n-]nc1SC[C@H]1CCC(=O)O1 ZINC000821069649 587093398 /nfs/dbraw/zinc/09/33/98/587093398.db2.gz PKJWVSMMMYLCJK-ZCFIWIBFSA-N -1 3 243.288 0.801 20 0 BCADHM CCCCn1nc(C)c(-c2nnn[n-]2)c1N ZINC000821082845 587094590 /nfs/dbraw/zinc/09/45/90/587094590.db2.gz PRALJYPGNPVJOT-UHFFFAOYSA-N -1 3 221.268 0.754 20 0 BCADHM CCCCn1nc(C)c(-c2nn[n-]n2)c1N ZINC000821082845 587094592 /nfs/dbraw/zinc/09/45/92/587094592.db2.gz PRALJYPGNPVJOT-UHFFFAOYSA-N -1 3 221.268 0.754 20 0 BCADHM C[C@H](C(=O)[N-]OCc1cccnc1)N(C)C ZINC000821143620 587098744 /nfs/dbraw/zinc/09/87/44/587098744.db2.gz NCPCCKPDHBCHSL-SECBINFHSA-N -1 3 223.276 0.580 20 0 BCADHM COc1cc(=O)[nH]cc1C(=O)[N-]OC(C)C ZINC000821214916 587102080 /nfs/dbraw/zinc/10/20/80/587102080.db2.gz WDYOHNZSWJLDGM-UHFFFAOYSA-N -1 3 226.232 0.866 20 0 BCADHM CCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821293713 587105594 /nfs/dbraw/zinc/10/55/94/587105594.db2.gz OCSINRFRTXCESV-UHFFFAOYSA-N -1 3 223.261 0.678 20 0 BCADHM CCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821293713 587105595 /nfs/dbraw/zinc/10/55/95/587105595.db2.gz OCSINRFRTXCESV-UHFFFAOYSA-N -1 3 223.261 0.678 20 0 BCADHM O=C([O-])CCCN1CCN([C@@H]2CCOC2)CC1 ZINC000821524122 587121893 /nfs/dbraw/zinc/12/18/93/587121893.db2.gz BBPPUZQYTGUPNI-LLVKDONJSA-N -1 3 242.319 0.258 20 0 BCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC000821571911 587129345 /nfs/dbraw/zinc/12/93/45/587129345.db2.gz KOKUAWZXJVBVFE-UHFFFAOYSA-N -1 3 232.247 0.429 20 0 BCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC000821571911 587129346 /nfs/dbraw/zinc/12/93/46/587129346.db2.gz KOKUAWZXJVBVFE-UHFFFAOYSA-N -1 3 232.247 0.429 20 0 BCADHM CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821634068 587133585 /nfs/dbraw/zinc/13/35/85/587133585.db2.gz QFSMGWQNGIULQR-ZETCQYMHSA-N -1 3 246.274 0.857 20 0 BCADHM CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821634068 587133587 /nfs/dbraw/zinc/13/35/87/587133587.db2.gz QFSMGWQNGIULQR-ZETCQYMHSA-N -1 3 246.274 0.857 20 0 BCADHM CC[C@H](OC)C(=O)[N-]c1nnnn1C1CC1 ZINC000821666483 587133962 /nfs/dbraw/zinc/13/39/62/587133962.db2.gz RDMGOLZBJQVNGF-ZETCQYMHSA-N -1 3 225.252 0.372 20 0 BCADHM O=C([N-]c1nnnn1C1CC1)[C@@H]1CCCOC1 ZINC000821666275 587133982 /nfs/dbraw/zinc/13/39/82/587133982.db2.gz ISDVEAPVRDQUGA-SSDOTTSWSA-N -1 3 237.263 0.373 20 0 BCADHM CC(C)CC(=O)[N-]c1nnnn1C1CC1 ZINC000821668481 587134253 /nfs/dbraw/zinc/13/42/53/587134253.db2.gz PPOKEENCCANSJY-UHFFFAOYSA-N -1 3 209.253 0.993 20 0 BCADHM O=C([N-]c1nnnn1C1CC1)[C@@H]1CCCS1 ZINC000821668415 587134358 /nfs/dbraw/zinc/13/43/58/587134358.db2.gz KWWFGLAENGIPTR-ZETCQYMHSA-N -1 3 239.304 0.842 20 0 BCADHM COC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000821681635 587134462 /nfs/dbraw/zinc/13/44/62/587134462.db2.gz OSJDAHIGQGBHFH-QMMMGPOBSA-N -1 3 248.290 0.956 20 0 BCADHM COC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000821681635 587134463 /nfs/dbraw/zinc/13/44/63/587134463.db2.gz OSJDAHIGQGBHFH-QMMMGPOBSA-N -1 3 248.290 0.956 20 0 BCADHM CO[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000821697728 587135049 /nfs/dbraw/zinc/13/50/49/587135049.db2.gz OFQZXZUPZCKNFT-VIFPVBQESA-N -1 3 246.274 0.487 20 0 BCADHM CO[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000821697728 587135051 /nfs/dbraw/zinc/13/50/51/587135051.db2.gz OFQZXZUPZCKNFT-VIFPVBQESA-N -1 3 246.274 0.487 20 0 BCADHM CS(=O)(=O)Oc1cccc(-c2nnn[n-]2)c1 ZINC000821936717 587147160 /nfs/dbraw/zinc/14/71/60/587147160.db2.gz DWUVIOFJBKTPKW-UHFFFAOYSA-N -1 3 240.244 0.205 20 0 BCADHM CS(=O)(=O)Oc1cccc(-c2nn[n-]n2)c1 ZINC000821936717 587147162 /nfs/dbraw/zinc/14/71/62/587147162.db2.gz DWUVIOFJBKTPKW-UHFFFAOYSA-N -1 3 240.244 0.205 20 0 BCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCCF ZINC000822659282 587179874 /nfs/dbraw/zinc/17/98/74/587179874.db2.gz IWDVUZWOKJPXSL-UHFFFAOYSA-N -1 3 239.210 0.332 20 0 BCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCCF ZINC000822659282 587179875 /nfs/dbraw/zinc/17/98/75/587179875.db2.gz IWDVUZWOKJPXSL-UHFFFAOYSA-N -1 3 239.210 0.332 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000822914162 587192732 /nfs/dbraw/zinc/19/27/32/587192732.db2.gz RFTODAQZIVAEAY-RKDXNWHRSA-N -1 3 239.275 0.598 20 0 BCADHM COCCCO[N-]C(=O)[C@@H](C)N(C)C ZINC000822913099 587192809 /nfs/dbraw/zinc/19/28/09/587192809.db2.gz CVBZGXQRQHTSOL-MRVPVSSYSA-N -1 3 204.270 0.021 20 0 BCADHM O=C(NC1CCCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823149409 587205215 /nfs/dbraw/zinc/20/52/15/587205215.db2.gz AYFGRVDMQQTIJM-UHFFFAOYSA-N -1 3 246.274 0.867 20 0 BCADHM O=C(NC1CCCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823149409 587205217 /nfs/dbraw/zinc/20/52/17/587205217.db2.gz AYFGRVDMQQTIJM-UHFFFAOYSA-N -1 3 246.274 0.867 20 0 BCADHM CN(CC(=O)[N-]OC(C)(C)CO)CC(C)(C)C ZINC000823301238 587214769 /nfs/dbraw/zinc/21/47/69/587214769.db2.gz BLBXKZPOUSJLBR-UHFFFAOYSA-N -1 3 246.351 0.783 20 0 BCADHM CCC[C@H](O)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000823306506 587215328 /nfs/dbraw/zinc/21/53/28/587215328.db2.gz NPYQDGXEWBQYRY-RQJHMYQMSA-N -1 3 216.306 0.755 20 0 BCADHM O=C1NCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823548537 587230887 /nfs/dbraw/zinc/23/08/87/587230887.db2.gz YMXUJOKQUNVGTM-VIFPVBQESA-N -1 3 244.258 0.167 20 0 BCADHM O=C1NCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823548537 587230888 /nfs/dbraw/zinc/23/08/88/587230888.db2.gz YMXUJOKQUNVGTM-VIFPVBQESA-N -1 3 244.258 0.167 20 0 BCADHM CCCO[N-]C(=O)/C=C/c1cn(C)cn1 ZINC000823609263 587232776 /nfs/dbraw/zinc/23/27/76/587232776.db2.gz VWBKYHLVTGMZPL-SNAWJCMRSA-N -1 3 209.249 0.891 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1C[C@H]1C(=O)OCC ZINC000823607959 587232815 /nfs/dbraw/zinc/23/28/15/587232815.db2.gz HESPTFJOQPOHPP-HTQZYQBOSA-N -1 3 215.249 0.643 20 0 BCADHM OC1(CNCc2ccc(-c3nnn[n-]3)o2)CCC1 ZINC000823699226 587237090 /nfs/dbraw/zinc/23/70/90/587237090.db2.gz UDTCMFWIXQZJPH-UHFFFAOYSA-N -1 3 249.274 0.464 20 0 BCADHM OC1(CNCc2ccc(-c3nn[n-]n3)o2)CCC1 ZINC000823699226 587237091 /nfs/dbraw/zinc/23/70/91/587237091.db2.gz UDTCMFWIXQZJPH-UHFFFAOYSA-N -1 3 249.274 0.464 20 0 BCADHM OC1CN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000823707332 587237389 /nfs/dbraw/zinc/23/73/89/587237389.db2.gz ZTDQQOUJPJNWDN-UHFFFAOYSA-N -1 3 235.222 0.187 20 0 BCADHM OC1CN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000823707332 587237390 /nfs/dbraw/zinc/23/73/90/587237390.db2.gz ZTDQQOUJPJNWDN-UHFFFAOYSA-N -1 3 235.222 0.187 20 0 BCADHM O[C@H]1CCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000823726630 587238034 /nfs/dbraw/zinc/23/80/34/587238034.db2.gz FKYKVBSYVZOHPT-QMMMGPOBSA-N -1 3 249.249 0.577 20 0 BCADHM O[C@H]1CCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000823726630 587238035 /nfs/dbraw/zinc/23/80/35/587238035.db2.gz FKYKVBSYVZOHPT-QMMMGPOBSA-N -1 3 249.249 0.577 20 0 BCADHM c1cc(-c2nnn[n-]2)oc1CNC[C@H]1CCCO1 ZINC000823747908 587239147 /nfs/dbraw/zinc/23/91/47/587239147.db2.gz MAJGWGFCUBCPRF-MRVPVSSYSA-N -1 3 249.274 0.728 20 0 BCADHM c1cc(-c2nn[n-]n2)oc1CNC[C@H]1CCCO1 ZINC000823747908 587239148 /nfs/dbraw/zinc/23/91/48/587239148.db2.gz MAJGWGFCUBCPRF-MRVPVSSYSA-N -1 3 249.274 0.728 20 0 BCADHM CC(C)CN1CCN(C)C[C@H]1CNC(=O)[O-] ZINC000824257834 587263584 /nfs/dbraw/zinc/26/35/84/587263584.db2.gz VYOFNFVNYPIWJT-SNVBAGLBSA-N -1 3 229.324 0.526 20 0 BCADHM CC(C)OC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824309159 587265351 /nfs/dbraw/zinc/26/53/51/587265351.db2.gz HFXDOVWKKKSZDG-UHFFFAOYSA-N -1 3 221.220 0.760 20 0 BCADHM CSc1nnc(NC(=O)[C@H](O)C2CC2)[n-]1 ZINC000824783785 587287325 /nfs/dbraw/zinc/28/73/25/587287325.db2.gz XRYGUNGZMNDXEQ-RXMQYKEDSA-N -1 3 228.277 0.236 20 0 BCADHM CSc1n[n-]c(NC(=O)[C@H](O)C2CC2)n1 ZINC000824783785 587287326 /nfs/dbraw/zinc/28/73/26/587287326.db2.gz XRYGUNGZMNDXEQ-RXMQYKEDSA-N -1 3 228.277 0.236 20 0 BCADHM CSc1nc(NC(=O)[C@H](O)C2CC2)n[n-]1 ZINC000824783785 587287328 /nfs/dbraw/zinc/28/73/28/587287328.db2.gz XRYGUNGZMNDXEQ-RXMQYKEDSA-N -1 3 228.277 0.236 20 0 BCADHM C[C@H](CCNCc1ccc(CO)o1)NC(=O)[O-] ZINC000824801567 587288232 /nfs/dbraw/zinc/28/82/32/587288232.db2.gz DAXLLQAWUGMVNO-MRVPVSSYSA-N -1 3 242.275 0.908 20 0 BCADHM C[C@H](CN(C)C(=O)[O-])C(=O)NC[C@H](C)N(C)C ZINC000824854104 587290669 /nfs/dbraw/zinc/29/06/69/587290669.db2.gz HBLFCAMDVKRRCR-BDAKNGLRSA-N -1 3 245.323 0.299 20 0 BCADHM CC1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000824892886 587291766 /nfs/dbraw/zinc/29/17/66/587291766.db2.gz NWHDURUAKSKXJV-UHFFFAOYSA-N -1 3 246.274 0.723 20 0 BCADHM CC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000824892886 587291767 /nfs/dbraw/zinc/29/17/67/587291767.db2.gz NWHDURUAKSKXJV-UHFFFAOYSA-N -1 3 246.274 0.723 20 0 BCADHM C[C@H]1C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824897836 587292287 /nfs/dbraw/zinc/29/22/87/587292287.db2.gz BPFTVOYEMSHKGA-BQBZGAKWSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@H]1C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824897836 587292288 /nfs/dbraw/zinc/29/22/88/587292288.db2.gz BPFTVOYEMSHKGA-BQBZGAKWSA-N -1 3 246.274 0.581 20 0 BCADHM C[C@@H](CNC(=O)C(C)(C)CNC(=O)[O-])N(C)C ZINC000824908103 587293229 /nfs/dbraw/zinc/29/32/29/587293229.db2.gz QXSXUTXONOTPGW-QMMMGPOBSA-N -1 3 245.323 0.347 20 0 BCADHM C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824949083 587294403 /nfs/dbraw/zinc/29/44/03/587294403.db2.gz WKIBJDURSKDJOT-ZETCQYMHSA-N -1 3 246.274 0.819 20 0 BCADHM C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824949083 587294404 /nfs/dbraw/zinc/29/44/04/587294404.db2.gz WKIBJDURSKDJOT-ZETCQYMHSA-N -1 3 246.274 0.819 20 0 BCADHM C[C@@H](CNC(=O)[O-])N(C)CC1(C)COC1 ZINC000824967353 587295538 /nfs/dbraw/zinc/29/55/38/587295538.db2.gz RBKVCGCYSTUOQG-QMMMGPOBSA-N -1 3 216.281 0.611 20 0 BCADHM C[C@@H]1CN(c2cnccc2-c2nnn[n-]2)C[C@@H]1O ZINC000824999409 587298267 /nfs/dbraw/zinc/29/82/67/587298267.db2.gz GZWUAFBVYHMPPL-XCBNKYQSSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1CN(c2cnccc2-c2nn[n-]n2)C[C@@H]1O ZINC000824999409 587298268 /nfs/dbraw/zinc/29/82/68/587298268.db2.gz GZWUAFBVYHMPPL-XCBNKYQSSA-N -1 3 246.274 0.079 20 0 BCADHM C/C=C/C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825028956 587299120 /nfs/dbraw/zinc/29/91/20/587299120.db2.gz SHGWBKDUDWIBOV-ONEGZZNKSA-N -1 3 219.244 0.909 20 0 BCADHM C[C@H]1OCC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC000825021766 587299131 /nfs/dbraw/zinc/29/91/31/587299131.db2.gz UHQKIUARAJYMAA-VXNVDRBHSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@H]1OCC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC000825021766 587299132 /nfs/dbraw/zinc/29/91/32/587299132.db2.gz UHQKIUARAJYMAA-VXNVDRBHSA-N -1 3 246.274 0.851 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1=COCC1)C2 ZINC000825034120 587299478 /nfs/dbraw/zinc/29/94/78/587299478.db2.gz DCEJDIWUTSGCJK-UHFFFAOYSA-N -1 3 247.254 0.637 20 0 BCADHM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CCO ZINC000825195259 587309404 /nfs/dbraw/zinc/30/94/04/587309404.db2.gz SVRKWYHHNVFRSK-DTWKUNHWSA-N -1 3 216.281 0.489 20 0 BCADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(CCO)C1 ZINC000825264844 587311735 /nfs/dbraw/zinc/31/17/35/587311735.db2.gz OHXMAKSJXAJYKG-IUCAKERBSA-N -1 3 216.281 0.347 20 0 BCADHM C[C@H](NC(=O)[O-])C1CCN(CCO)CC1 ZINC000825289328 587313190 /nfs/dbraw/zinc/31/31/90/587313190.db2.gz XSBKCUDYVNGFMX-QMMMGPOBSA-N -1 3 216.281 0.347 20 0 BCADHM CC1(C)CN(C(=O)CCCNC(=O)[O-])CCN1 ZINC000825718789 587333391 /nfs/dbraw/zinc/33/33/91/587333391.db2.gz JSBFHSUYOSUPNT-UHFFFAOYSA-N -1 3 243.307 0.245 20 0 BCADHM C/C(=C\CN1C[C@@H]2OCCN(C)[C@H]2C1)C(=O)[O-] ZINC000825736431 587336023 /nfs/dbraw/zinc/33/60/23/587336023.db2.gz ZAEJHPUTWZKFGJ-HJUGMNLHSA-N -1 3 240.303 0.032 20 0 BCADHM C/C(=C\CNC1(C(N)=O)CCCC1)C(=O)[O-] ZINC000825746879 587336223 /nfs/dbraw/zinc/33/62/23/587336223.db2.gz MAOPFRSBUVDWCI-XBXARRHUSA-N -1 3 226.276 0.405 20 0 BCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC000825825457 587340695 /nfs/dbraw/zinc/34/06/95/587340695.db2.gz CLSPJGDDBSDSCC-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC000825825457 587340696 /nfs/dbraw/zinc/34/06/96/587340696.db2.gz CLSPJGDDBSDSCC-UHFFFAOYSA-N -1 3 246.274 0.819 20 0 BCADHM C[C@H]1C[C@H](NC2CN(C(=O)[O-])C2)CN1C1CC1 ZINC000825852991 587341797 /nfs/dbraw/zinc/34/17/97/587341797.db2.gz SAQNHKAGMFEPSY-IUCAKERBSA-N -1 3 239.319 0.563 20 0 BCADHM C[C@H]1C[C@@H](NC2CN(C(=O)[O-])C2)CN1C1CC1 ZINC000825852990 587341821 /nfs/dbraw/zinc/34/18/21/587341821.db2.gz SAQNHKAGMFEPSY-DTWKUNHWSA-N -1 3 239.319 0.563 20 0 BCADHM CN(CC(C)(C)O)c1cnccc1-c1nnn[n-]1 ZINC000825897707 587344947 /nfs/dbraw/zinc/34/49/47/587344947.db2.gz MSHHXUZEBXGDBT-UHFFFAOYSA-N -1 3 248.290 0.469 20 0 BCADHM CN(CC(C)(C)O)c1cnccc1-c1nn[n-]n1 ZINC000825897707 587344948 /nfs/dbraw/zinc/34/49/48/587344948.db2.gz MSHHXUZEBXGDBT-UHFFFAOYSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1CCC(C)(C)C1 ZINC000826001149 587348099 /nfs/dbraw/zinc/34/80/99/587348099.db2.gz SRXNHTZWCIJTQV-MRVPVSSYSA-N -1 3 228.292 0.308 20 0 BCADHM CON(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826166600 587351669 /nfs/dbraw/zinc/35/16/69/587351669.db2.gz SJFVCPMISWGIFR-UHFFFAOYSA-N -1 3 237.238 0.999 20 0 BCADHM CON(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000826166600 587351670 /nfs/dbraw/zinc/35/16/70/587351670.db2.gz SJFVCPMISWGIFR-UHFFFAOYSA-N -1 3 237.238 0.999 20 0 BCADHM COCc1noc(-c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC000826165972 587351694 /nfs/dbraw/zinc/35/16/94/587351694.db2.gz QFOOUKHOSVTVHJ-UHFFFAOYSA-N -1 3 247.218 0.391 20 0 BCADHM COCc1noc(-c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC000826165972 587351695 /nfs/dbraw/zinc/35/16/95/587351695.db2.gz QFOOUKHOSVTVHJ-UHFFFAOYSA-N -1 3 247.218 0.391 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(NCC[C@H](C)O)n1 ZINC000826275535 587351795 /nfs/dbraw/zinc/35/17/95/587351795.db2.gz CGQRDWMRVHAPRQ-QMMMGPOBSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(NCC[C@H](C)O)n1 ZINC000826275535 587351796 /nfs/dbraw/zinc/35/17/96/587351796.db2.gz CGQRDWMRVHAPRQ-QMMMGPOBSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1nccn1CCn1ccnc1-c1nnn[n-]1 ZINC000826331662 587352290 /nfs/dbraw/zinc/35/22/90/587352290.db2.gz SICVRMANQPQFFE-UHFFFAOYSA-N -1 3 244.262 0.268 20 0 BCADHM Cc1nccn1CCn1ccnc1-c1nn[n-]n1 ZINC000826331662 587352291 /nfs/dbraw/zinc/35/22/91/587352291.db2.gz SICVRMANQPQFFE-UHFFFAOYSA-N -1 3 244.262 0.268 20 0 BCADHM Cc1cn(Cc2ccn(C)n2)cc1-c1nnn[n-]1 ZINC000826317193 587352356 /nfs/dbraw/zinc/35/23/56/587352356.db2.gz RNKGMQATKFISRB-UHFFFAOYSA-N -1 3 243.274 0.758 20 0 BCADHM Cc1cn(Cc2ccn(C)n2)cc1-c1nn[n-]n1 ZINC000826317193 587352357 /nfs/dbraw/zinc/35/23/57/587352357.db2.gz RNKGMQATKFISRB-UHFFFAOYSA-N -1 3 243.274 0.758 20 0 BCADHM O=C(Nc1cn[nH]c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826459029 587352834 /nfs/dbraw/zinc/35/28/34/587352834.db2.gz RPRNTYWRPBXFLH-UHFFFAOYSA-N -1 3 244.218 0.170 20 0 BCADHM O=C(Nc1cn[nH]c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826459029 587352835 /nfs/dbraw/zinc/35/28/35/587352835.db2.gz RPRNTYWRPBXFLH-UHFFFAOYSA-N -1 3 244.218 0.170 20 0 BCADHM OC1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826507477 587352910 /nfs/dbraw/zinc/35/29/10/587352910.db2.gz PDVSQTKMSVDOHH-UHFFFAOYSA-N -1 3 246.274 0.223 20 0 BCADHM OC1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826507477 587352911 /nfs/dbraw/zinc/35/29/11/587352911.db2.gz PDVSQTKMSVDOHH-UHFFFAOYSA-N -1 3 246.274 0.223 20 0 BCADHM O=C(OC1CCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826461729 587353022 /nfs/dbraw/zinc/35/30/22/587353022.db2.gz FEVAJIQMRSILDI-UHFFFAOYSA-N -1 3 233.231 0.904 20 0 BCADHM c1cc(CNc2ccc(-c3nnn[n-]3)nc2)n[nH]1 ZINC000826516411 587353136 /nfs/dbraw/zinc/35/31/36/587353136.db2.gz JULQQGAELCCXAN-UHFFFAOYSA-N -1 3 242.246 0.597 20 0 BCADHM c1cc(CNc2ccc(-c3nn[n-]n3)nc2)n[nH]1 ZINC000826516411 587353137 /nfs/dbraw/zinc/35/31/37/587353137.db2.gz JULQQGAELCCXAN-UHFFFAOYSA-N -1 3 242.246 0.597 20 0 BCADHM OCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826508207 587353243 /nfs/dbraw/zinc/35/32/43/587353243.db2.gz HVHIBQGZIZMSBA-UHFFFAOYSA-N -1 3 249.249 0.943 20 0 BCADHM OCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826508207 587353244 /nfs/dbraw/zinc/35/32/44/587353244.db2.gz HVHIBQGZIZMSBA-UHFFFAOYSA-N -1 3 249.249 0.943 20 0 BCADHM O=C(OCCCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000826463681 587353297 /nfs/dbraw/zinc/35/32/97/587353297.db2.gz PTINIHAMHZDWEZ-UHFFFAOYSA-N -1 3 248.242 0.406 20 0 BCADHM O=C(OCCCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000826463681 587353298 /nfs/dbraw/zinc/35/32/98/587353298.db2.gz PTINIHAMHZDWEZ-UHFFFAOYSA-N -1 3 248.242 0.406 20 0 BCADHM c1cc(-c2nnn[n-]2)c(N[C@H]2CCOC2)cn1 ZINC000826512666 587353453 /nfs/dbraw/zinc/35/34/53/587353453.db2.gz JJVUFGZDLCIYFN-ZETCQYMHSA-N -1 3 232.247 0.463 20 0 BCADHM c1cc(-c2nn[n-]n2)c(N[C@H]2CCOC2)cn1 ZINC000826512666 587353454 /nfs/dbraw/zinc/35/34/54/587353454.db2.gz JJVUFGZDLCIYFN-ZETCQYMHSA-N -1 3 232.247 0.463 20 0 BCADHM c1cc(-c2nnn[n-]2)c(N2CCSCC2)cn1 ZINC000826512786 587353481 /nfs/dbraw/zinc/35/34/81/587353481.db2.gz NSLVJCJRYGEPSS-UHFFFAOYSA-N -1 3 248.315 0.815 20 0 BCADHM c1cc(-c2nn[n-]n2)c(N2CCSCC2)cn1 ZINC000826512786 587353482 /nfs/dbraw/zinc/35/34/82/587353482.db2.gz NSLVJCJRYGEPSS-UHFFFAOYSA-N -1 3 248.315 0.815 20 0 BCADHM OCCN(Cc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000826509730 587353753 /nfs/dbraw/zinc/35/37/53/587353753.db2.gz HKXSOVLOQLEUFQ-UHFFFAOYSA-N -1 3 249.274 0.416 20 0 BCADHM OCCN(Cc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC000826509730 587353754 /nfs/dbraw/zinc/35/37/54/587353754.db2.gz HKXSOVLOQLEUFQ-UHFFFAOYSA-N -1 3 249.274 0.416 20 0 BCADHM CC[C@H](COC)NC1CN(C(=O)[O-])C1 ZINC000826587865 587356045 /nfs/dbraw/zinc/35/60/45/587356045.db2.gz ZIOMHWWEMVBCQG-SSDOTTSWSA-N -1 3 202.254 0.363 20 0 BCADHM CC(C)[C@H]1CCN([C@@H](C)C(=O)NCC(=O)[O-])C1 ZINC000826735234 587360799 /nfs/dbraw/zinc/36/07/99/587360799.db2.gz BYFFSYAFZBSBQY-UWVGGRQHSA-N -1 3 242.319 0.554 20 0 BCADHM CCCN(CC(N)=O)C1CCN(C(=O)[O-])CC1 ZINC000826902315 587364933 /nfs/dbraw/zinc/36/49/33/587364933.db2.gz ALCYENMONSFBHH-UHFFFAOYSA-N -1 3 243.307 0.326 20 0 BCADHM CC(C)N(C)CC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000826930337 587365888 /nfs/dbraw/zinc/36/58/88/587365888.db2.gz IRASYFZWFHNQEX-SNVBAGLBSA-N -1 3 228.292 0.306 20 0 BCADHM CC(C)NC(=O)CCN1CC[C@](F)(C(=O)[O-])C1 ZINC000826972201 587367138 /nfs/dbraw/zinc/36/71/38/587367138.db2.gz ZVLRTDREEAEMCV-LLVKDONJSA-N -1 3 246.282 0.400 20 0 BCADHM CCN(CC)CC(=O)NCC(C)(C)NC(=O)[O-] ZINC000827039899 587368531 /nfs/dbraw/zinc/36/85/31/587368531.db2.gz IPNSSSCWHLTMKN-UHFFFAOYSA-N -1 3 245.323 0.491 20 0 BCADHM CCN(CCNC(=O)[O-])C[C@@H]1CCCO1 ZINC000827147004 587371079 /nfs/dbraw/zinc/37/10/79/587371079.db2.gz XSCIPJXBJBXPOF-VIFPVBQESA-N -1 3 216.281 0.755 20 0 BCADHM CCN1C[C@@H](C)[C@@H](NC(=O)CN(C)C(=O)[O-])C1 ZINC000827198319 587372577 /nfs/dbraw/zinc/37/25/77/587372577.db2.gz HGDQJLXCGCLHBR-BDAKNGLRSA-N -1 3 243.307 0.053 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N(C)CCN(C)C ZINC000827241295 587373654 /nfs/dbraw/zinc/37/36/54/587373654.db2.gz VCSQOBOVDATJTR-QMMMGPOBSA-N -1 3 216.281 0.117 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000827255859 587374211 /nfs/dbraw/zinc/37/42/11/587374211.db2.gz HDZFNSOCENHEPZ-VHSXEESVSA-N -1 3 242.319 0.650 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H]1CN(C)C ZINC000827258043 587374513 /nfs/dbraw/zinc/37/45/13/587374513.db2.gz WCNVDEOHFLPHQQ-NXEZZACHSA-N -1 3 242.319 0.650 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)NC[C@H](C)N1CCCC1 ZINC000827282073 587375328 /nfs/dbraw/zinc/37/53/28/587375328.db2.gz QENRVAJBPSEIGL-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM CCOC(=O)CCN(C)[C@@H](C)CNC(=O)[O-] ZINC000827307104 587376303 /nfs/dbraw/zinc/37/63/03/587376303.db2.gz XZNQIWVCSMDXDZ-QMMMGPOBSA-N -1 3 232.280 0.528 20 0 BCADHM CCOC(=O)CCN1CCC(NC(=O)[O-])CC1 ZINC000827307102 587376415 /nfs/dbraw/zinc/37/64/15/587376415.db2.gz XYXBAKPNNFUSFN-UHFFFAOYSA-N -1 3 244.291 0.672 20 0 BCADHM CCOC(=O)CCN(C)CCNC(=O)[O-] ZINC000827305660 587376435 /nfs/dbraw/zinc/37/64/35/587376435.db2.gz LCYRATPBVNSDDC-UHFFFAOYSA-N -1 3 218.253 0.139 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]CCC2CCC2)n1 ZINC000827340714 587377690 /nfs/dbraw/zinc/37/76/90/587377690.db2.gz IVHWTPBTTBTBMG-UHFFFAOYSA-N -1 3 243.332 0.889 20 0 BCADHM CN(C(=O)[O-])[C@H]1CCN(CC(C)(C)O)C1 ZINC000827882413 587407377 /nfs/dbraw/zinc/40/73/77/587407377.db2.gz OBMGIPDGDVABKV-QMMMGPOBSA-N -1 3 216.281 0.441 20 0 BCADHM CN(C(=O)[O-])[C@@H]1CCN(CCCO)C1 ZINC000827889954 587408540 /nfs/dbraw/zinc/40/85/40/587408540.db2.gz MQHXJXHUHZOUAI-MRVPVSSYSA-N -1 3 202.254 0.053 20 0 BCADHM CN(C)C(=O)CNCC1CCN(C(=O)[O-])CC1 ZINC000827961298 587413338 /nfs/dbraw/zinc/41/33/38/587413338.db2.gz UFMNADKTXJHIMI-UHFFFAOYSA-N -1 3 243.307 0.054 20 0 BCADHM CN(C)CCNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000828037844 587416998 /nfs/dbraw/zinc/41/69/98/587416998.db2.gz XXFNNYNXCOTVFT-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM CN(C)CCNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000828036832 587417268 /nfs/dbraw/zinc/41/72/68/587417268.db2.gz HXMQIXFCBQOJHJ-LLVKDONJSA-N -1 3 243.307 0.054 20 0 BCADHM CN(C[C@@H]1CCCO1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828236220 587426604 /nfs/dbraw/zinc/42/66/04/587426604.db2.gz ODSAXGZHZAGQHC-ZJUUUORDSA-N -1 3 228.292 0.850 20 0 BCADHM CN(CCCNCc1ccc(CO)o1)C(=O)[O-] ZINC000828305733 587433270 /nfs/dbraw/zinc/43/32/70/587433270.db2.gz KNZGSIMQWRBEPC-UHFFFAOYSA-N -1 3 242.275 0.861 20 0 BCADHM C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C(=O)[O-] ZINC000828326039 587434864 /nfs/dbraw/zinc/43/48/64/587434864.db2.gz LCXIFOUPAZTOOL-BBBLOLIVSA-N -1 3 240.303 0.260 20 0 BCADHM CN(CCNCc1ccnn1C)C(=O)[O-] ZINC000828332410 587435833 /nfs/dbraw/zinc/43/58/33/587435833.db2.gz NBASFZYNWQFHHY-UHFFFAOYSA-N -1 3 212.253 0.120 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N1C[C@@H](C)[C@H](C)C1 ZINC000828420730 587441436 /nfs/dbraw/zinc/44/14/36/587441436.db2.gz CPZFONJMRAZBRZ-HLTSFMKQSA-N -1 3 228.292 0.164 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1C[C@H](C)[C@H](C)C1 ZINC000828420733 587441463 /nfs/dbraw/zinc/44/14/63/587441463.db2.gz CPZFONJMRAZBRZ-HRDYMLBCSA-N -1 3 228.292 0.164 20 0 BCADHM C[C@@H]1CN(CC(=O)NCCC(=O)[O-])C(C)(C)C1 ZINC000828439709 587442514 /nfs/dbraw/zinc/44/25/14/587442514.db2.gz JOQBIUPIJSDRSH-VIFPVBQESA-N -1 3 242.319 0.698 20 0 BCADHM C[C@@H]1CN(CN2CCOC2=S)C[C@@H]1C(=O)[O-] ZINC000828457292 587443593 /nfs/dbraw/zinc/44/35/93/587443593.db2.gz SIFOTPKKBAXHPW-SFYZADRCSA-N -1 3 244.316 0.214 20 0 BCADHM C[C@@H]1CN(CN2CCOC2=S)C[C@H]1C(=O)[O-] ZINC000828457287 587443645 /nfs/dbraw/zinc/44/36/45/587443645.db2.gz SIFOTPKKBAXHPW-HTQZYQBOSA-N -1 3 244.316 0.214 20 0 BCADHM COC(=O)CCCN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828671092 587456019 /nfs/dbraw/zinc/45/60/19/587456019.db2.gz QBCJESVNNIWCBA-SECBINFHSA-N -1 3 244.291 0.624 20 0 BCADHM COC(=O)CCCN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828670559 587456293 /nfs/dbraw/zinc/45/62/93/587456293.db2.gz GJLVDBPBLQREPH-SECBINFHSA-N -1 3 244.291 0.624 20 0 BCADHM CC[C@@H](C)[C@H](NCC(=O)N(C)C)C(=O)[O-] ZINC000828735549 587459232 /nfs/dbraw/zinc/45/92/32/587459232.db2.gz BSARPWQPENAZKE-APPZFPTMSA-N -1 3 216.281 0.164 20 0 BCADHM CC[C@H](C(=O)[O-])N1CCN([C@@H](CC)CO)CC1 ZINC000828891226 587468910 /nfs/dbraw/zinc/46/89/10/587468910.db2.gz UGMXARVBSMEFRS-WDEREUQCSA-N -1 3 244.335 0.238 20 0 BCADHM CC[C@@H](CO)N1CCN([C@@H](CC)C(=O)[O-])CC1 ZINC000828891225 587468964 /nfs/dbraw/zinc/46/89/64/587468964.db2.gz UGMXARVBSMEFRS-QWRGUYRKSA-N -1 3 244.335 0.238 20 0 BCADHM CC[C@H](CO)N1CCN([C@@H](CC)C(=O)[O-])CC1 ZINC000828891224 587469012 /nfs/dbraw/zinc/46/90/12/587469012.db2.gz UGMXARVBSMEFRS-MNOVXSKESA-N -1 3 244.335 0.238 20 0 BCADHM COC[C@@H]1CCCN(CCNC(=O)[O-])C1 ZINC000828920466 587471992 /nfs/dbraw/zinc/47/19/92/587471992.db2.gz MPVVFGJPVQDRJD-SECBINFHSA-N -1 3 216.281 0.612 20 0 BCADHM COC[C@H](O)CN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000828920241 587472018 /nfs/dbraw/zinc/47/20/18/587472018.db2.gz HGAISIMWGIWEIJ-VHSXEESVSA-N -1 3 246.307 0.068 20 0 BCADHM COCCOCCN1CCC[C@@H]1CNC(=O)[O-] ZINC000829001943 587478794 /nfs/dbraw/zinc/47/87/94/587478794.db2.gz ITOLNYAEXYNIQW-SNVBAGLBSA-N -1 3 246.307 0.381 20 0 BCADHM COCCOCCN1CC[C@H](CNC(=O)[O-])C1 ZINC000829002047 587478925 /nfs/dbraw/zinc/47/89/25/587478925.db2.gz KQRDJYLLKPJECG-SNVBAGLBSA-N -1 3 246.307 0.239 20 0 BCADHM CC(=O)[C@H](OC(=O)c1cnn[n-]1)C(C)C ZINC000829184465 587486717 /nfs/dbraw/zinc/48/67/17/587486717.db2.gz HLUCLVNLHMDXJJ-MRVPVSSYSA-N -1 3 211.221 0.575 20 0 BCADHM CC(=O)[C@H](OC(=O)c1c[n-]nn1)C(C)C ZINC000829184465 587486719 /nfs/dbraw/zinc/48/67/19/587486719.db2.gz HLUCLVNLHMDXJJ-MRVPVSSYSA-N -1 3 211.221 0.575 20 0 BCADHM O=C(OCCC[C@H]1CCOC1)c1cnn[n-]1 ZINC000829185562 587487303 /nfs/dbraw/zinc/48/73/03/587487303.db2.gz UIPKJFXTJUGDRS-QMMMGPOBSA-N -1 3 225.248 0.778 20 0 BCADHM O=C(OCCC[C@H]1CCOC1)c1c[n-]nn1 ZINC000829185562 587487304 /nfs/dbraw/zinc/48/73/04/587487304.db2.gz UIPKJFXTJUGDRS-QMMMGPOBSA-N -1 3 225.248 0.778 20 0 BCADHM CCCN(CCN(C)C)C(=O)[C@H](C)CC(=O)[O-] ZINC000829492171 587499853 /nfs/dbraw/zinc/49/98/53/587499853.db2.gz VHEJBOQFMNRVPM-SNVBAGLBSA-N -1 3 244.335 0.897 20 0 BCADHM CCSCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000829560552 587503365 /nfs/dbraw/zinc/50/33/65/587503365.db2.gz NUZKTORGILVKNO-LURJTMIESA-N -1 3 238.334 0.104 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H]1CCCN(C)C1=O ZINC000829637702 587506907 /nfs/dbraw/zinc/50/69/07/587506907.db2.gz KWJVOODSGOXXMB-ZETCQYMHSA-N -1 3 234.246 0.769 20 0 BCADHM CCC[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000829639392 587507145 /nfs/dbraw/zinc/50/71/45/587507145.db2.gz CERLTHJRXVERCN-UHFFFAOYSA-N -1 3 223.685 0.751 20 0 BCADHM CCN(CC)CC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000829671679 587508703 /nfs/dbraw/zinc/50/87/03/587508703.db2.gz JKKABQZIYXGSHT-NSHDSACASA-N -1 3 246.282 0.353 20 0 BCADHM CCN(CC)CC(=O)N(CC(=O)[O-])C1CC1 ZINC000829671508 587508922 /nfs/dbraw/zinc/50/89/22/587508922.db2.gz CPGYTAKOKJCZCF-UHFFFAOYSA-N -1 3 228.292 0.404 20 0 BCADHM CCN(CC)CC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000829671634 587508986 /nfs/dbraw/zinc/50/89/86/587508986.db2.gz ICFPAQFMJSTBQP-NXEZZACHSA-N -1 3 242.319 0.507 20 0 BCADHM CCN(C/C=C(/C)C(=O)[O-])CCC(=O)OC ZINC000829692452 587509529 /nfs/dbraw/zinc/50/95/29/587509529.db2.gz JOOJQEATMSECJD-UITAMQMPSA-N -1 3 229.276 0.902 20 0 BCADHM CCN(C/C=C(/C)C(=O)OC)CCC(=O)[O-] ZINC000829692907 587509719 /nfs/dbraw/zinc/50/97/19/587509719.db2.gz QSJZTOLRDWKSHP-UITAMQMPSA-N -1 3 229.276 0.902 20 0 BCADHM CCN1C[C@H](NC(=O)[C@H](C)CC(=O)[O-])[C@@H](C)C1 ZINC000829743783 587513184 /nfs/dbraw/zinc/51/31/84/587513184.db2.gz BPDAQTREHBPDKO-UTLUCORTSA-N -1 3 242.319 0.554 20 0 BCADHM CCN1C[C@H](NC(=O)CCC(=O)[O-])[C@@H](C)C1 ZINC000829746167 587513222 /nfs/dbraw/zinc/51/32/22/587513222.db2.gz VVPKJALFVRKMSR-IUCAKERBSA-N -1 3 228.292 0.308 20 0 BCADHM CCOc1nc(NC(=O)C2(C)COC2)n[n-]1 ZINC000830399746 587549191 /nfs/dbraw/zinc/54/91/91/587549191.db2.gz KYOAKPXDBIQCHW-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM CCOc1nnc(NC(=O)C2(C)COC2)[n-]1 ZINC000830399746 587549193 /nfs/dbraw/zinc/54/91/93/587549193.db2.gz KYOAKPXDBIQCHW-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM CCOc1n[n-]c(NC(=O)C2(C)COC2)n1 ZINC000830399746 587549194 /nfs/dbraw/zinc/54/91/94/587549194.db2.gz KYOAKPXDBIQCHW-UHFFFAOYSA-N -1 3 226.236 0.178 20 0 BCADHM CCOc1nc(NC(=O)[C@@H](C)OCC)n[n-]1 ZINC000830397091 587549297 /nfs/dbraw/zinc/54/92/97/587549297.db2.gz JEOYRSHOPUAKOO-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H](C)OCC)[n-]1 ZINC000830397091 587549298 /nfs/dbraw/zinc/54/92/98/587549298.db2.gz JEOYRSHOPUAKOO-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H](C)OCC)n1 ZINC000830397091 587549299 /nfs/dbraw/zinc/54/92/99/587549299.db2.gz JEOYRSHOPUAKOO-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@H](C)SC)n[n-]1 ZINC000830396992 587549400 /nfs/dbraw/zinc/54/94/00/587549400.db2.gz CDUMHSRGEVGMJN-YFKPBYRVSA-N -1 3 230.293 0.893 20 0 BCADHM CCOc1nnc(NC(=O)[C@H](C)SC)[n-]1 ZINC000830396992 587549401 /nfs/dbraw/zinc/54/94/01/587549401.db2.gz CDUMHSRGEVGMJN-YFKPBYRVSA-N -1 3 230.293 0.893 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H](C)SC)n1 ZINC000830396992 587549402 /nfs/dbraw/zinc/54/94/02/587549402.db2.gz CDUMHSRGEVGMJN-YFKPBYRVSA-N -1 3 230.293 0.893 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CCC=CO2)n[n-]1 ZINC000830399232 587549492 /nfs/dbraw/zinc/54/94/92/587549492.db2.gz AZMSIDHVWGEOSA-ZETCQYMHSA-N -1 3 238.247 0.835 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CCC=CO2)[n-]1 ZINC000830399232 587549493 /nfs/dbraw/zinc/54/94/93/587549493.db2.gz AZMSIDHVWGEOSA-ZETCQYMHSA-N -1 3 238.247 0.835 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CCC=CO2)n1 ZINC000830399232 587549495 /nfs/dbraw/zinc/54/94/95/587549495.db2.gz AZMSIDHVWGEOSA-ZETCQYMHSA-N -1 3 238.247 0.835 20 0 BCADHM CCOc1nc(NC(=O)C[C@@H](C)OC)n[n-]1 ZINC000830397044 587549584 /nfs/dbraw/zinc/54/95/84/587549584.db2.gz GPWTWJUPDIFCIB-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nnc(NC(=O)C[C@@H](C)OC)[n-]1 ZINC000830397044 587549586 /nfs/dbraw/zinc/54/95/86/587549586.db2.gz GPWTWJUPDIFCIB-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)C[C@@H](C)OC)n1 ZINC000830397044 587549588 /nfs/dbraw/zinc/54/95/88/587549588.db2.gz GPWTWJUPDIFCIB-ZCFIWIBFSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nc(NC(=O)C[C@H](C)OC)n[n-]1 ZINC000830397043 587549660 /nfs/dbraw/zinc/54/96/60/587549660.db2.gz GPWTWJUPDIFCIB-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nnc(NC(=O)C[C@H](C)OC)[n-]1 ZINC000830397043 587549662 /nfs/dbraw/zinc/54/96/62/587549662.db2.gz GPWTWJUPDIFCIB-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)C[C@H](C)OC)n1 ZINC000830397043 587549664 /nfs/dbraw/zinc/54/96/64/587549664.db2.gz GPWTWJUPDIFCIB-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@@H](OC)C(C)C)n[n-]1 ZINC000830399286 587549820 /nfs/dbraw/zinc/54/98/20/587549820.db2.gz FALZALTZCQGHCZ-ZETCQYMHSA-N -1 3 242.279 0.813 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H](OC)C(C)C)[n-]1 ZINC000830399286 587549822 /nfs/dbraw/zinc/54/98/22/587549822.db2.gz FALZALTZCQGHCZ-ZETCQYMHSA-N -1 3 242.279 0.813 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H](OC)C(C)C)n1 ZINC000830399286 587549823 /nfs/dbraw/zinc/54/98/23/587549823.db2.gz FALZALTZCQGHCZ-ZETCQYMHSA-N -1 3 242.279 0.813 20 0 BCADHM Cc1ccccc1[C@@H](CO)NCCNC(=O)[O-] ZINC000830554656 587557939 /nfs/dbraw/zinc/55/79/39/587557939.db2.gz NWVWWMDAXKWTGC-LLVKDONJSA-N -1 3 238.287 0.886 20 0 BCADHM O=C([N-]OCc1cccnc1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000830757990 587567533 /nfs/dbraw/zinc/56/75/33/587567533.db2.gz WRPZVZVRRVFEOA-URLYPYJESA-N -1 3 234.255 0.522 20 0 BCADHM CO[C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000831038013 587583918 /nfs/dbraw/zinc/58/39/18/587583918.db2.gz BAVFHUVFCNLVKP-SECBINFHSA-N -1 3 236.271 0.835 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCNC1=O ZINC000831581182 587620672 /nfs/dbraw/zinc/62/06/72/587620672.db2.gz KEGZHBBUETUYJE-QMMMGPOBSA-N -1 3 234.255 0.775 20 0 BCADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC(=O)N1 ZINC000831582448 587620711 /nfs/dbraw/zinc/62/07/11/587620711.db2.gz XZQJNZJQWFGRRH-ZETCQYMHSA-N -1 3 220.228 0.528 20 0 BCADHM COCCCN1CC[C@](F)(C(=O)[O-])C1 ZINC000831696695 587627466 /nfs/dbraw/zinc/62/74/66/587627466.db2.gz ICEXZVZQOSIWPV-SECBINFHSA-N -1 3 205.229 0.522 20 0 BCADHM COCCN(C/C=C(/C)C(=O)OC)CC(=O)[O-] ZINC000831724887 587628890 /nfs/dbraw/zinc/62/88/90/587628890.db2.gz FUDLGGOFDOHIBA-WTKPLQERSA-N -1 3 245.275 0.139 20 0 BCADHM COCCN(C/C=C(\C)C(=O)OC)CC(=O)[O-] ZINC000831724886 587629014 /nfs/dbraw/zinc/62/90/14/587629014.db2.gz FUDLGGOFDOHIBA-RUDMXATFSA-N -1 3 245.275 0.139 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@@H](CCOC)C(N)=O ZINC000831726637 587629063 /nfs/dbraw/zinc/62/90/63/587629063.db2.gz FKERJXDUHMOXNI-LURJTMIESA-N -1 3 238.234 0.038 20 0 BCADHM O=C([O-])N(CC1CC1)C1CCN(CCO)CC1 ZINC000831826080 587633287 /nfs/dbraw/zinc/63/32/87/587633287.db2.gz JCODHPDTBOMKFH-UHFFFAOYSA-N -1 3 242.319 0.833 20 0 BCADHM CON(C)C(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000831836777 587633839 /nfs/dbraw/zinc/63/38/39/587633839.db2.gz NCCRGISXMOXDHC-SECBINFHSA-N -1 3 244.291 0.335 20 0 BCADHM O=C([O-])N1CC[C@H](NC[C@H](O)C(F)(F)F)C1 ZINC000831953961 587638315 /nfs/dbraw/zinc/63/83/15/587638315.db2.gz WFELKUKBQZUGQQ-WDSKDSINSA-N -1 3 242.197 0.252 20 0 BCADHM Nc1ccc(C(=O)N[C@H]2CCOC2)c([O-])c1 ZINC000831960859 587639267 /nfs/dbraw/zinc/63/92/67/587639267.db2.gz OWVWZJKEUGZWFI-QMMMGPOBSA-N -1 3 222.244 0.493 20 0 BCADHM O=C([O-])N1CC[C@@H](N[C@@H]2C=C[C@H](CO)C2)C1 ZINC000831963557 587640017 /nfs/dbraw/zinc/64/00/17/587640017.db2.gz KKOOFOQGAWOHKW-IVZWLZJFSA-N -1 3 226.276 0.265 20 0 BCADHM O=C(NCC[C@@H]1CNC(=O)C1)c1cccc([O-])c1 ZINC000832005331 587642225 /nfs/dbraw/zinc/64/22/25/587642225.db2.gz BBZFABXIEKVKPX-VIFPVBQESA-N -1 3 248.282 0.648 20 0 BCADHM O=C([O-])N1CCN(CCO)C2(CCCCC2)C1 ZINC000832036728 587643697 /nfs/dbraw/zinc/64/36/97/587643697.db2.gz NRKHWTREHTTWCH-UHFFFAOYSA-N -1 3 242.319 0.977 20 0 BCADHM Cc1ccn([C@H](C)CC(=O)[N-]OCCO)n1 ZINC000832406204 587658358 /nfs/dbraw/zinc/65/83/58/587658358.db2.gz SSYUFNQMKFWLHG-SECBINFHSA-N -1 3 227.264 0.183 20 0 BCADHM O=C([O-])NC[C@@H]1CCC[C@H]1NCc1cc[nH]n1 ZINC000832481204 587662444 /nfs/dbraw/zinc/66/24/44/587662444.db2.gz GTCMLGAERVJRNV-WCBMZHEXSA-N -1 3 238.291 0.936 20 0 BCADHM O=C([O-])NC[C@H]1CCC[C@H]1NCc1cc[nH]n1 ZINC000832481202 587662579 /nfs/dbraw/zinc/66/25/79/587662579.db2.gz GTCMLGAERVJRNV-PSASIEDQSA-N -1 3 238.291 0.936 20 0 BCADHM O=C([O-])NCCN1CCC[C@@H]1CCCO ZINC000832642230 587671968 /nfs/dbraw/zinc/67/19/68/587671968.db2.gz WEIQXFVROKOYQS-SECBINFHSA-N -1 3 216.281 0.491 20 0 BCADHM O=C([O-])NCCN1CCC(c2ncc[nH]2)CC1 ZINC000832642298 587672043 /nfs/dbraw/zinc/67/20/43/587672043.db2.gz WXJJWRODMQAILU-UHFFFAOYSA-N -1 3 238.291 0.857 20 0 BCADHM O=C([O-])NCCN1CCS[C@@H]2COCC[C@@H]21 ZINC000832641694 587672325 /nfs/dbraw/zinc/67/23/25/587672325.db2.gz FXKZVQUBHPWDAR-DTWKUNHWSA-N -1 3 246.332 0.460 20 0 BCADHM Cn1ncnc1CN[C@](C)(C(=O)[O-])C1CC1 ZINC000833062081 587698333 /nfs/dbraw/zinc/69/83/33/587698333.db2.gz MSVKDXZPLQDWTQ-JTQLQIEISA-N -1 3 224.264 0.158 20 0 BCADHM Cn1ncnc1CNC(C)(C)CCC(=O)[O-] ZINC000833062816 587699116 /nfs/dbraw/zinc/69/91/16/587699116.db2.gz VCDITOUMLDBZSJ-UHFFFAOYSA-N -1 3 226.280 0.548 20 0 BCADHM O=C([O-])[C@]1(F)CCN(CC2(O)CCC2)C1 ZINC000833174594 587701117 /nfs/dbraw/zinc/70/11/17/587701117.db2.gz HPMXQFXDWYCCLE-JTQLQIEISA-N -1 3 217.240 0.400 20 0 BCADHM O=C([O-])[C@@]1(F)CCN(C[C@@H]2CCOC2)C1 ZINC000833175636 587701397 /nfs/dbraw/zinc/70/13/97/587701397.db2.gz RZIOUBBJDFXVPD-WCBMZHEXSA-N -1 3 217.240 0.522 20 0 BCADHM O=C([O-])[C@]1(F)CCN(C[C@@H]2CCOC2)C1 ZINC000833175638 587701581 /nfs/dbraw/zinc/70/15/81/587701581.db2.gz RZIOUBBJDFXVPD-WPRPVWTQSA-N -1 3 217.240 0.522 20 0 BCADHM O=C([O-])c1cc(CN[C@@H]2CCCNC2=O)c[nH]1 ZINC000833296773 587705286 /nfs/dbraw/zinc/70/52/86/587705286.db2.gz WFPMOAWDKUWKPS-MRVPVSSYSA-N -1 3 237.259 0.081 20 0 BCADHM O=C([O-])c1cc(CN2CCC[C@@H](CO)C2)c[nH]1 ZINC000833296669 587705554 /nfs/dbraw/zinc/70/55/54/587705554.db2.gz ORVYIBLMOYPTPP-SECBINFHSA-N -1 3 238.287 0.917 20 0 BCADHM C/C(=C/CN(C)C1(C(N)=O)CCCC1)C(=O)[O-] ZINC000833384524 587712632 /nfs/dbraw/zinc/71/26/32/587712632.db2.gz SIMPBDBOBAMMDL-UITAMQMPSA-N -1 3 240.303 0.747 20 0 BCADHM CC(C)(C)CNCc1cn(CC(=O)[O-])nn1 ZINC000833430464 587715064 /nfs/dbraw/zinc/71/50/64/587715064.db2.gz PUBQRKUTAYZTID-UHFFFAOYSA-N -1 3 226.280 0.498 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H]2CO)O1 ZINC000833577311 587721346 /nfs/dbraw/zinc/72/13/46/587721346.db2.gz DGXYGHVWADMVQQ-NXEZZACHSA-N -1 3 241.287 0.591 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H](O)C2)O1 ZINC000833584158 587721738 /nfs/dbraw/zinc/72/17/38/587721738.db2.gz LZURWNJRXIICHU-NXEZZACHSA-N -1 3 241.287 0.591 20 0 BCADHM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@H](O)C2)O1 ZINC000833584160 587722010 /nfs/dbraw/zinc/72/20/10/587722010.db2.gz LZURWNJRXIICHU-VHSXEESVSA-N -1 3 241.287 0.591 20 0 BCADHM C[C@@H]1CC[C@@H](NCc2cn(CC(=O)[O-])nn2)C1 ZINC000833603422 587723395 /nfs/dbraw/zinc/72/33/95/587723395.db2.gz KXBBCZNANBEKJS-RKDXNWHRSA-N -1 3 238.291 0.641 20 0 BCADHM C[C@H]1CN(CCC(=O)[O-])CCN1CC(C)(C)O ZINC000833628860 587724979 /nfs/dbraw/zinc/72/49/79/587724979.db2.gz PDBDPGSBUGEMJK-JTQLQIEISA-N -1 3 244.335 0.238 20 0 BCADHM C[C@@H]1CN(CCC(=O)[O-])CCN1CCCF ZINC000833628233 587724996 /nfs/dbraw/zinc/72/49/96/587724996.db2.gz DSOXMIJKJQZRGD-SNVBAGLBSA-N -1 3 232.299 0.827 20 0 BCADHM C[C@H]1CN(CCC(=O)[O-])CCN1CCCF ZINC000833628232 587725206 /nfs/dbraw/zinc/72/52/06/587725206.db2.gz DSOXMIJKJQZRGD-JTQLQIEISA-N -1 3 232.299 0.827 20 0 BCADHM CN(C)C[C@@H]1CN([C@@H](C(=O)[O-])C2CC2)CCO1 ZINC000833689175 587727836 /nfs/dbraw/zinc/72/78/36/587727836.db2.gz OOSOQNZRZYNOOY-GHMZBOCLSA-N -1 3 242.319 0.112 20 0 BCADHM CN(Cc1cc[nH]n1)[C@@H](C(=O)[O-])C1CC1 ZINC000833694463 587728371 /nfs/dbraw/zinc/72/83/71/587728371.db2.gz SKXSKCOTONQLNY-SECBINFHSA-N -1 3 209.249 0.705 20 0 BCADHM COC[C@](C)(CC(=O)[O-])NCc1ccnn1C ZINC000833722346 587729527 /nfs/dbraw/zinc/72/95/27/587729527.db2.gz RYEHRNAFVKDXPH-NSHDSACASA-N -1 3 241.291 0.390 20 0 BCADHM Cn1nncc1CNC1(C(=O)[O-])CCCC1 ZINC000833759508 587730939 /nfs/dbraw/zinc/73/09/39/587730939.db2.gz LZJTXTHEVKKWDH-UHFFFAOYSA-N -1 3 224.264 0.302 20 0 BCADHM CCCNC(=O)CN[C@H](C)C[C@@H](C)NC(=O)[O-] ZINC000833855147 587736206 /nfs/dbraw/zinc/73/62/06/587736206.db2.gz BVJJQAFNRWPWTN-RKDXNWHRSA-N -1 3 245.323 0.537 20 0 BCADHM CCCNC(=O)CN[C@@H](C)C[C@H](C)NC(=O)[O-] ZINC000833855146 587736434 /nfs/dbraw/zinc/73/64/34/587736434.db2.gz BVJJQAFNRWPWTN-IUCAKERBSA-N -1 3 245.323 0.537 20 0 BCADHM CCN(CCCNC(C)=O)C1CN(C(=O)[O-])C1 ZINC000833858428 587736781 /nfs/dbraw/zinc/73/67/81/587736781.db2.gz ZPWAUMYSNYYYDE-UHFFFAOYSA-N -1 3 243.307 0.197 20 0 BCADHM CN(CCNC(=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000833871960 587737229 /nfs/dbraw/zinc/73/72/29/587737229.db2.gz DLRLMBFCXRGWEM-IUCAKERBSA-N -1 3 216.281 0.347 20 0 BCADHM CN(CCNC(=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000833871958 587737279 /nfs/dbraw/zinc/73/72/79/587737279.db2.gz DLRLMBFCXRGWEM-BDAKNGLRSA-N -1 3 216.281 0.347 20 0 BCADHM CN(CCNC(=O)[O-])C[C@H]1CCC[C@H]1O ZINC000833871961 587737443 /nfs/dbraw/zinc/73/74/43/587737443.db2.gz DLRLMBFCXRGWEM-RKDXNWHRSA-N -1 3 216.281 0.347 20 0 BCADHM CNC(=O)CCN(C)C[C@@H]1CCCN1C(=O)[O-] ZINC000833874815 587737840 /nfs/dbraw/zinc/73/78/40/587737840.db2.gz ADPIOWSTLVRPME-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM Cn1ccc(CN2CC[C@H](NC(=O)[O-])C2)c1 ZINC000833951386 587739800 /nfs/dbraw/zinc/73/98/00/587739800.db2.gz VGCBCQIUSSOQEK-JTQLQIEISA-N -1 3 223.276 0.867 20 0 BCADHM O=C([O-])N[C@@H](CNC1CSC1)C1CC1 ZINC000834149240 587747582 /nfs/dbraw/zinc/74/75/82/587747582.db2.gz DZFHISSOIAYBTO-QMMMGPOBSA-N -1 3 216.306 0.738 20 0 BCADHM O=C([O-])N[C@H](CNCc1cncnc1)C1CC1 ZINC000834148700 587747746 /nfs/dbraw/zinc/74/77/46/587747746.db2.gz BEFLVKNVKVVEGC-SNVBAGLBSA-N -1 3 236.275 0.612 20 0 BCADHM O=C([O-])NC[C@H]1CCCN([C@H]2CCOC2)C1 ZINC000834222487 587748283 /nfs/dbraw/zinc/74/82/83/587748283.db2.gz YHJWDYSJXFTJRW-ZJUUUORDSA-N -1 3 228.292 0.755 20 0 BCADHM O=C([O-])N[C@H]1CCN([C@H]2CCOC2)C1 ZINC000834180959 587748293 /nfs/dbraw/zinc/74/82/93/587748293.db2.gz BUIZALKIZOLIGK-YUMQZZPRSA-N -1 3 200.238 0.117 20 0 BCADHM O=C([O-])NC[C@@H]1CCN(Cc2cn[nH]c2)C1 ZINC000834225126 587749008 /nfs/dbraw/zinc/74/90/08/587749008.db2.gz GWMQIZPFAMDICW-QMMMGPOBSA-N -1 3 224.264 0.499 20 0 BCADHM O=C([O-])NCCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000834240181 587749949 /nfs/dbraw/zinc/74/99/49/587749949.db2.gz SJHGRVJAVROKDU-VIFPVBQESA-N -1 3 238.291 0.857 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCc1cncs1 ZINC000834618260 587760970 /nfs/dbraw/zinc/76/09/70/587760970.db2.gz JFAXSCCUYIGJOT-UHFFFAOYSA-N -1 3 244.316 0.894 20 0 BCADHM Cn1ccc(CCC(=O)[N-]OCC(C)(C)O)n1 ZINC000834618486 587761076 /nfs/dbraw/zinc/76/10/76/587761076.db2.gz RDRBQUAIYWAEJB-UHFFFAOYSA-N -1 3 241.291 0.171 20 0 BCADHM Cn1nccc1CCC(=O)[N-]OCC(C)(C)O ZINC000834621446 587761301 /nfs/dbraw/zinc/76/13/01/587761301.db2.gz FFTKVQRJKBIJQK-UHFFFAOYSA-N -1 3 241.291 0.171 20 0 BCADHM CC(C)(O)CO[N-]C(=O)/C=C/[C@H]1CCCO1 ZINC000834628603 587761734 /nfs/dbraw/zinc/76/17/34/587761734.db2.gz SCYHKCPXGXWJCM-VUHVRTRXSA-N -1 3 229.276 0.540 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C1(C)CCC(=O)CC1 ZINC000834630689 587762046 /nfs/dbraw/zinc/76/20/46/587762046.db2.gz CACYNQBNQBVRCE-UHFFFAOYSA-N -1 3 243.303 0.955 20 0 BCADHM O=C(NC[C@H]1C[C@H](O)C1)c1cc(F)c[n-]c1=O ZINC000834743220 587765315 /nfs/dbraw/zinc/76/53/15/587765315.db2.gz IPJVWPYCVSBZJT-FKQCQYRASA-N -1 3 240.234 0.427 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)NC[C@H]1C[C@H](O)C1 ZINC000834760894 587766014 /nfs/dbraw/zinc/76/60/14/587766014.db2.gz NUNWGIUQRIXGFX-YOUZAFMCSA-N -1 3 248.282 0.688 20 0 BCADHM O=C(NC[C@H]1C[C@H](O)C1)c1cccc2nn[n-]c21 ZINC000834757626 587766103 /nfs/dbraw/zinc/76/61/03/587766103.db2.gz HEOIQEYQVSFYOR-ZKCHVHJHSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(NC[C@H]1C[C@H](O)C1)c1cccc2[n-]nnc21 ZINC000834757626 587766104 /nfs/dbraw/zinc/76/61/04/587766104.db2.gz HEOIQEYQVSFYOR-ZKCHVHJHSA-N -1 3 246.270 0.459 20 0 BCADHM O=C(NC[C@H]1C[C@H](O)C1)c1cccc2n[n-]nc21 ZINC000834757626 587766105 /nfs/dbraw/zinc/76/61/05/587766105.db2.gz HEOIQEYQVSFYOR-ZKCHVHJHSA-N -1 3 246.270 0.459 20 0 BCADHM O=C([N-]OCCO)C1(C2CCC2)CCC1 ZINC000836782901 587836095 /nfs/dbraw/zinc/83/60/95/587836095.db2.gz LRFDPUDVGFJGPC-UHFFFAOYSA-N -1 3 213.277 0.997 20 0 BCADHM C[C@@H]1CC=C(C(=O)[N-]OCC(N)=O)CC1 ZINC000836780729 587836561 /nfs/dbraw/zinc/83/65/61/587836561.db2.gz HIXGCEISWZQYOB-SSDOTTSWSA-N -1 3 212.249 0.266 20 0 BCADHM CC1CCN(CC(=O)[N-]OC(C)(C)CO)CC1 ZINC000836804495 587837536 /nfs/dbraw/zinc/83/75/36/587837536.db2.gz ANKVZYMKVPUYJW-UHFFFAOYSA-N -1 3 244.335 0.537 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CC[C@H]1CCCO1 ZINC000836802756 587837756 /nfs/dbraw/zinc/83/77/56/587837756.db2.gz XVBKTRSZHHTAQJ-SECBINFHSA-N -1 3 231.292 0.764 20 0 BCADHM COCCC1(C(=O)[N-]OC(C)(C)CO)CC1 ZINC000836805239 587837960 /nfs/dbraw/zinc/83/79/60/587837960.db2.gz WAFHSTSZTXDHEA-UHFFFAOYSA-N -1 3 231.292 0.622 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C[C@H]1CCCC[C@@H]1O ZINC000836805187 587838009 /nfs/dbraw/zinc/83/80/09/587838009.db2.gz DBBOPKUBQVAWDT-ZJUUUORDSA-N -1 3 245.319 0.746 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]O[C@H](CO)C(C)C ZINC000836892347 587841420 /nfs/dbraw/zinc/84/14/20/587841420.db2.gz PWXQMJBOMPWPFB-RKDXNWHRSA-N -1 3 247.291 0.250 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@H]1CCSC1 ZINC000836890837 587841423 /nfs/dbraw/zinc/84/14/23/587841423.db2.gz KVPHDTZMNCGDCM-DTWKUNHWSA-N -1 3 233.333 0.804 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]O[C@@H](CO)C(C)C ZINC000836892346 587841465 /nfs/dbraw/zinc/84/14/65/587841465.db2.gz PWXQMJBOMPWPFB-IUCAKERBSA-N -1 3 247.291 0.250 20 0 BCADHM CCC[C@H](O)CC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836892093 587841484 /nfs/dbraw/zinc/84/14/84/587841484.db2.gz MZACDJQTVKVXTQ-UWVGGRQHSA-N -1 3 233.308 0.602 20 0 BCADHM COC[C@H](C)CC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836892854 587841823 /nfs/dbraw/zinc/84/18/23/587841823.db2.gz SPLCOCIJLZOHIZ-ZJUUUORDSA-N -1 3 233.308 0.724 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)Cc1ccoc1 ZINC000836893204 587841866 /nfs/dbraw/zinc/84/18/66/587841866.db2.gz WRCCNISIBPDRFI-SNVBAGLBSA-N -1 3 227.260 0.887 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H](C(C)C)N(C)C ZINC000836894048 587841911 /nfs/dbraw/zinc/84/19/11/587841911.db2.gz ZXVXHRIQWZPAAZ-QWRGUYRKSA-N -1 3 246.351 0.637 20 0 BCADHM CCOC1CC(C(=O)[N-]O[C@H](CO)C(C)C)C1 ZINC000836893383 587841955 /nfs/dbraw/zinc/84/19/55/587841955.db2.gz KKELHCFLGDSECD-VQXHTEKXSA-N -1 3 245.319 0.866 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C[C@@H]1CCCO1 ZINC000836902290 587842322 /nfs/dbraw/zinc/84/23/22/587842322.db2.gz ZGZUAJAZGOLJRE-VHSXEESVSA-N -1 3 231.292 0.620 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CC1CC1 ZINC000836902294 587842477 /nfs/dbraw/zinc/84/24/77/587842477.db2.gz ZJOVFYZPUBUGQP-SECBINFHSA-N -1 3 201.266 0.851 20 0 BCADHM CC(C)OCCC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836900791 587842577 /nfs/dbraw/zinc/84/25/77/587842577.db2.gz PKSDLJIGHDGLBE-JTQLQIEISA-N -1 3 233.308 0.866 20 0 BCADHM CC(C)OC(=O)[C@H](C)[N-]C(=O)C(F)F ZINC000837029773 587847948 /nfs/dbraw/zinc/84/79/48/587847948.db2.gz AUFMIGZTRFRNLW-YFKPBYRVSA-N -1 3 209.192 0.708 20 0 BCADHM CC[C@@H]([N-]C(=O)C(C)(Cl)Cl)C(=O)NC ZINC000837165321 587856511 /nfs/dbraw/zinc/85/65/11/587856511.db2.gz HHNPPECBSPKCDI-RXMQYKEDSA-N -1 3 241.118 0.821 20 0 BCADHM CC[C@](COC)([N-]C(=O)C(F)F)C(=O)OC ZINC000837256719 587861780 /nfs/dbraw/zinc/86/17/80/587861780.db2.gz LQERBRPMDSXYLI-SECBINFHSA-N -1 3 239.218 0.336 20 0 BCADHM COCC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837344190 587868381 /nfs/dbraw/zinc/86/83/81/587868381.db2.gz SQWJYQWHMYVNAT-UHFFFAOYSA-N -1 3 238.243 0.749 20 0 BCADHM CC(C)C[C@H](C)OC(=O)CN1CC(=O)[N-]C1=O ZINC000837514998 587879044 /nfs/dbraw/zinc/87/90/44/587879044.db2.gz PSIJCYZHGMMBEC-QMMMGPOBSA-N -1 3 242.275 0.516 20 0 BCADHM O=C(O[C@@H]1CCOC1)c1cncc([O-])c1 ZINC000837517368 587879478 /nfs/dbraw/zinc/87/94/78/587879478.db2.gz OEFXJJUZRBKUCE-SECBINFHSA-N -1 3 209.201 0.733 20 0 BCADHM Cn1cncc1CCOC(=O)c1cncc([O-])c1 ZINC000837517764 587879640 /nfs/dbraw/zinc/87/96/40/587879640.db2.gz UECMXACPSGIVKM-UHFFFAOYSA-N -1 3 247.254 0.920 20 0 BCADHM CN(C)CCO[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000837675616 587889689 /nfs/dbraw/zinc/88/96/89/587889689.db2.gz BTCSYYVEFXPCLR-AEJSXWLSSA-N -1 3 240.303 0.211 20 0 BCADHM COCC(=O)COC(=O)c1cc([O-])ccc1F ZINC000837868126 587901065 /nfs/dbraw/zinc/90/10/65/587901065.db2.gz FWVMVZJRVFXZDQ-UHFFFAOYSA-N -1 3 242.202 0.904 20 0 BCADHM CC[C@H](OC(=O)c1cc([O-])ccc1F)C(N)=O ZINC000837869351 587901183 /nfs/dbraw/zinc/90/11/83/587901183.db2.gz OMIZZMFBEVFRJG-VIFPVBQESA-N -1 3 241.218 0.952 20 0 BCADHM CCCCS(=O)(=O)[N-]C[C@H](F)C(=O)OC ZINC000841545394 587957832 /nfs/dbraw/zinc/95/78/32/587957832.db2.gz ONEHMIBCCXJBDN-ZETCQYMHSA-N -1 3 241.284 0.217 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccc(N)cc2[O-])[C@@H](C)CN1 ZINC000841849375 587977612 /nfs/dbraw/zinc/97/76/12/587977612.db2.gz PQTDTPCKBOIINA-BDAKNGLRSA-N -1 3 249.314 0.797 20 0 BCADHM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CCC(=O)C1 ZINC000843782115 588139537 /nfs/dbraw/zinc/13/95/37/588139537.db2.gz PLBYZVFJZCJJSP-WCBMZHEXSA-N -1 3 227.260 0.930 20 0 BCADHM O=C([N-]OCC(F)F)[C@H]1CCC(=O)C1 ZINC000843855036 588145489 /nfs/dbraw/zinc/14/54/89/588145489.db2.gz ZQULFBKTWQOHRB-YFKPBYRVSA-N -1 3 207.176 0.669 20 0 BCADHM O=C([N-]OC[C@H]1CCOC1)[C@@H]1CCC(=O)C1 ZINC000843863605 588146255 /nfs/dbraw/zinc/14/62/55/588146255.db2.gz QMIALPJNFHSJAL-DTWKUNHWSA-N -1 3 227.260 0.440 20 0 BCADHM CO[C@@H]1COC[C@H]1[N-]C(=O)C(C)(F)F ZINC000844027107 588156915 /nfs/dbraw/zinc/15/69/15/588156915.db2.gz YXJZWRZNPCAVGS-PHDIDXHHSA-N -1 3 209.192 0.172 20 0 BCADHM CCCO[N-]C(=O)CCCN1C(=O)CCC1=O ZINC000844082093 588162298 /nfs/dbraw/zinc/16/22/98/588162298.db2.gz GIWUZJADQFWWSM-UHFFFAOYSA-N -1 3 242.275 0.373 20 0 BCADHM CCCONC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000844086985 588164675 /nfs/dbraw/zinc/16/46/75/588164675.db2.gz UKCSFTQQEDDRMF-UHFFFAOYSA-N -1 3 248.238 0.642 20 0 BCADHM CCCO[N-]C(=O)C1CN(CC(F)F)C1 ZINC000844086833 588164697 /nfs/dbraw/zinc/16/46/97/588164697.db2.gz BAENDVMLGQFTHS-UHFFFAOYSA-N -1 3 222.235 0.641 20 0 BCADHM O=C([N-]OCC(F)F)[C@H]1CCc2cncn2C1 ZINC000844137829 588169890 /nfs/dbraw/zinc/16/98/90/588169890.db2.gz AVOZYLFMRMZKLW-ZETCQYMHSA-N -1 3 245.229 0.758 20 0 BCADHM CC(=O)[N-]OCc1cc2n(n1)CCCC2 ZINC000844764219 588216490 /nfs/dbraw/zinc/21/64/90/588216490.db2.gz RXPXEEFCUPVLBM-UHFFFAOYSA-N -1 3 209.249 0.787 20 0 BCADHM COCc1ccnc(NC([O-])=NOCCO)c1 ZINC000844839763 588218189 /nfs/dbraw/zinc/21/81/89/588218189.db2.gz VDLOOOMRXJDBBJ-UHFFFAOYSA-N -1 3 241.247 0.273 20 0 BCADHM COCc1ccnc(NC(=O)[N-]OCCO)c1 ZINC000844839763 588218190 /nfs/dbraw/zinc/21/81/90/588218190.db2.gz VDLOOOMRXJDBBJ-UHFFFAOYSA-N -1 3 241.247 0.273 20 0 BCADHM CC[S@](C)(=O)=NS(=O)(=O)[N-]C1CCC1 ZINC000867377033 588220536 /nfs/dbraw/zinc/22/05/36/588220536.db2.gz XUBYGMVELUCXEG-ZDUSSCGKSA-N -1 3 240.350 0.491 20 0 BCADHM O=C(OCc1cc2n(n1)CCC2)c1cnn[n-]1 ZINC000845167227 588223003 /nfs/dbraw/zinc/22/30/03/588223003.db2.gz XOTPKFIUTONLOP-UHFFFAOYSA-N -1 3 233.231 0.304 20 0 BCADHM O=C(OCc1cc2n(n1)CCC2)c1c[n-]nn1 ZINC000845167227 588223004 /nfs/dbraw/zinc/22/30/04/588223004.db2.gz XOTPKFIUTONLOP-UHFFFAOYSA-N -1 3 233.231 0.304 20 0 BCADHM O=C(O[C@@H]1C=CCCC1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845370718 588228420 /nfs/dbraw/zinc/22/84/20/588228420.db2.gz ARQWRAUWISHBQI-RKDXNWHRSA-N -1 3 245.300 0.330 20 0 BCADHM CC(C)C[C@H](C)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845376917 588228424 /nfs/dbraw/zinc/22/84/24/588228424.db2.gz VIWSJERBBVGSQK-DTWKUNHWSA-N -1 3 249.332 0.656 20 0 BCADHM C[C@@H]1CC[C@H](OC(=O)[C@@H]2CCS(=O)(=O)[N-]2)C1 ZINC000845376535 588228447 /nfs/dbraw/zinc/22/84/47/588228447.db2.gz RKZOFCKYCFYMEE-VGMNWLOBSA-N -1 3 247.316 0.410 20 0 BCADHM CC(C)C[C@@H](C)OC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845376916 588228453 /nfs/dbraw/zinc/22/84/53/588228453.db2.gz VIWSJERBBVGSQK-BDAKNGLRSA-N -1 3 249.332 0.656 20 0 BCADHM CCC(C)(C)COC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845478141 588229904 /nfs/dbraw/zinc/22/99/04/588229904.db2.gz XAQNEJJLCNKVCU-QMMMGPOBSA-N -1 3 249.332 0.658 20 0 BCADHM CC1(OC(=O)[C@H]2CCS(=O)(=O)[N-]2)CCCC1 ZINC000845488606 588230400 /nfs/dbraw/zinc/23/04/00/588230400.db2.gz WLOIGJAMPRTHOQ-MRVPVSSYSA-N -1 3 247.316 0.554 20 0 BCADHM CC1(CCOC(=O)[C@H]2CCS(=O)(=O)[N-]2)CC1 ZINC000845531934 588232205 /nfs/dbraw/zinc/23/22/05/588232205.db2.gz GNPRMZCJAFIXRX-MRVPVSSYSA-N -1 3 247.316 0.412 20 0 BCADHM CCC/C=C/COC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845573733 588233525 /nfs/dbraw/zinc/23/35/25/588233525.db2.gz CDVWEPPEEWPXFA-MOVJSRMASA-N -1 3 247.316 0.578 20 0 BCADHM CCC[C@@H](C)S(=O)(=O)[N-][C@]1(C)CCOC1=O ZINC000845936625 588250778 /nfs/dbraw/zinc/25/07/78/588250778.db2.gz MHYGJCAGRLWHAM-PSASIEDQSA-N -1 3 249.332 0.800 20 0 BCADHM COC/C(C)=C\C(=O)[N-]OC1CCOCC1 ZINC000845957908 588251768 /nfs/dbraw/zinc/25/17/68/588251768.db2.gz GSFRVMJRLCJPMM-CLFYSBASSA-N -1 3 229.276 0.806 20 0 BCADHM COC/C(C)=C/C(=O)[N-]OC[C@H]1CCOC1 ZINC000845997056 588252978 /nfs/dbraw/zinc/25/29/78/588252978.db2.gz XFHHYDNLWOKSGU-CYNRKNSPSA-N -1 3 229.276 0.663 20 0 BCADHM CCO[N-]C(=O)CNCc1cccnc1C ZINC000846090207 588256281 /nfs/dbraw/zinc/25/62/81/588256281.db2.gz ZOWJJZLGTDPFKN-UHFFFAOYSA-N -1 3 223.276 0.547 20 0 BCADHM O=C([N-]OCC1CC1)[C@H]1CCCS(=O)(=O)C1 ZINC000846219431 588260839 /nfs/dbraw/zinc/26/08/39/588260839.db2.gz QQNUCBAJCJRAPR-VIFPVBQESA-N -1 3 247.316 0.269 20 0 BCADHM CCn1ccc(CC(=O)[N-]OCCN(C)C)n1 ZINC000846232949 588261875 /nfs/dbraw/zinc/26/18/75/588261875.db2.gz XQQYAYNKTSYNHN-UHFFFAOYSA-N -1 3 240.307 0.055 20 0 BCADHM COC/C(C)=C\C(=O)[N-]O[C@H](CO)C(C)C ZINC000846241030 588262154 /nfs/dbraw/zinc/26/21/54/588262154.db2.gz DLSVOMKCNSRJOV-HYHWUIIZSA-N -1 3 231.292 0.644 20 0 BCADHM COC/C(C)=C/C(=O)[N-]O[C@@H](CO)C(C)C ZINC000846241028 588262197 /nfs/dbraw/zinc/26/21/97/588262197.db2.gz DLSVOMKCNSRJOV-CYNRKNSPSA-N -1 3 231.292 0.644 20 0 BCADHM COC(=O)[C@H](CCF)[N-]C(=O)C(C)(F)F ZINC000846429125 588265891 /nfs/dbraw/zinc/26/58/91/588265891.db2.gz RMWQESNIACJZLN-YFKPBYRVSA-N -1 3 227.182 0.659 20 0 BCADHM COC(=O)[C@@H](CCF)[N-]C(=O)C(F)F ZINC000846432153 588266153 /nfs/dbraw/zinc/26/61/53/588266153.db2.gz IUTAQCXQUPZMRE-SCSAIBSYSA-N -1 3 213.155 0.269 20 0 BCADHM CO[C@@H](C(=O)[N-]OC1CCN(C)CC1)C(C)C ZINC000846649654 588280724 /nfs/dbraw/zinc/28/07/24/588280724.db2.gz GLLRGJUITXKOCM-LLVKDONJSA-N -1 3 244.335 0.799 20 0 BCADHM C[C@@H]1C[C@H](C(=O)[N-]OC2CCN(C)CC2)CO1 ZINC000846650011 588280738 /nfs/dbraw/zinc/28/07/38/588280738.db2.gz LCFFTCVMUOQHJB-ZJUUUORDSA-N -1 3 242.319 0.553 20 0 BCADHM CC[C@@H](C(=O)[N-]OC1CCN(C)CC1)[C@H](C)O ZINC000846651116 588280883 /nfs/dbraw/zinc/28/08/83/588280883.db2.gz ZNJGFFZCQBSDDA-GXSJLCMTSA-N -1 3 244.335 0.535 20 0 BCADHM CN1CCC(O[N-]C(=O)[C@@]2(C)CCOC2)CC1 ZINC000846649084 588280964 /nfs/dbraw/zinc/28/09/64/588280964.db2.gz AZWZFSDTCNSARJ-LBPRGKRZSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@H]1C[C@H](C(=O)[N-]OC2CCN(C)CC2)CO1 ZINC000846650009 588280990 /nfs/dbraw/zinc/28/09/90/588280990.db2.gz LCFFTCVMUOQHJB-UWVGGRQHSA-N -1 3 242.319 0.553 20 0 BCADHM CO[C@H](C(=O)[N-]OC1CCN(C)CC1)C(C)C ZINC000846649657 588281040 /nfs/dbraw/zinc/28/10/40/588281040.db2.gz GLLRGJUITXKOCM-NSHDSACASA-N -1 3 244.335 0.799 20 0 BCADHM C[C@@H](CC(=O)[N-]O[C@@H]1CCCCO1)NC(N)=O ZINC000847414592 588312649 /nfs/dbraw/zinc/31/26/49/588312649.db2.gz PATZSBZYHNMHQN-IONNQARKSA-N -1 3 245.279 0.008 20 0 BCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)[N-]OCC(F)(F)F ZINC000847588358 588317964 /nfs/dbraw/zinc/31/79/64/588317964.db2.gz MIBQLMJCPVQKAJ-WHFBIAKZSA-N -1 3 240.181 0.108 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]OCc2cccnc2)C1 ZINC000847599462 588318202 /nfs/dbraw/zinc/31/82/02/588318202.db2.gz DKOSKAUBPMIWCM-NSHDSACASA-N -1 3 249.314 0.971 20 0 BCADHM C/C(=C/c1ccccn1)C(=O)[N-]OCCO ZINC000847756494 588328983 /nfs/dbraw/zinc/32/89/83/588328983.db2.gz IRFHJRUXSFXILH-HJWRWDBZSA-N -1 3 222.244 0.525 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]OC[C@H]2CCOC2)C1 ZINC000847880254 588342278 /nfs/dbraw/zinc/34/22/78/588342278.db2.gz GSCQESWIORANFZ-QWRGUYRKSA-N -1 3 242.319 0.413 20 0 BCADHM COCCCO[N-]C(=O)CN1CC[C@@H](C)C1 ZINC000848067534 588352979 /nfs/dbraw/zinc/35/29/79/588352979.db2.gz GHUISZXWBUNCFP-SNVBAGLBSA-N -1 3 230.308 0.413 20 0 BCADHM C[C@@H]1C[C@H]([N-]C(=O)C(C)(F)F)C(=O)O1 ZINC000848076661 588355094 /nfs/dbraw/zinc/35/50/94/588355094.db2.gz XUNSCJRVMAPNFI-UHNVWZDZSA-N -1 3 207.176 0.462 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]OCC2CC2)C1 ZINC000848129542 588359484 /nfs/dbraw/zinc/35/94/84/588359484.db2.gz UCPRMMNCRJTBGA-VIFPVBQESA-N -1 3 212.293 0.786 20 0 BCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)[N-]OC1CCC1 ZINC000848162268 588362265 /nfs/dbraw/zinc/36/22/65/588362265.db2.gz JSIUPZZOTMZRDQ-YUMQZZPRSA-N -1 3 212.249 0.098 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CN1CC[C@@H](C)C1 ZINC000848197462 588365455 /nfs/dbraw/zinc/36/54/55/588365455.db2.gz ZFYIITBJZZDGGL-GHMZBOCLSA-N -1 3 244.335 0.393 20 0 BCADHM CC(C)(C)n1nnc(C[N-]C(=O)C(C)(F)F)n1 ZINC000848294651 588371109 /nfs/dbraw/zinc/37/11/09/588371109.db2.gz CUHWKJYFYQDCQX-UHFFFAOYSA-N -1 3 247.249 0.700 20 0 BCADHM CN[C@@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000848461133 588386418 /nfs/dbraw/zinc/38/64/18/588386418.db2.gz VZQJOQUIJFUDKB-YFKPBYRVSA-N -1 3 229.667 0.987 20 0 BCADHM CCO[N-]C(=O)CNCc1cnc(Cl)n1C ZINC000848558435 588397378 /nfs/dbraw/zinc/39/73/78/588397378.db2.gz PYAVQXOJTGESPA-UHFFFAOYSA-N -1 3 246.698 0.231 20 0 BCADHM CON(C)CC[N-]S(=O)(=O)c1ccco1 ZINC000849409161 588477415 /nfs/dbraw/zinc/47/74/15/588477415.db2.gz SDDWMOQFWAYNHF-UHFFFAOYSA-N -1 3 234.277 0.051 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2C=CCC2)n1 ZINC000849429312 588478144 /nfs/dbraw/zinc/47/81/44/588478144.db2.gz NEHMOTVOCMKUSI-MRVPVSSYSA-N -1 3 227.289 0.417 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@H]2C=CCC2)n1 ZINC000849429313 588478309 /nfs/dbraw/zinc/47/83/09/588478309.db2.gz NEHMOTVOCMKUSI-QMMMGPOBSA-N -1 3 227.289 0.417 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-][C@@H]2C=CCC2)c1 ZINC000849429978 588478440 /nfs/dbraw/zinc/47/84/40/588478440.db2.gz GOEZBYZWPCVYRV-MRVPVSSYSA-N -1 3 227.289 0.417 20 0 BCADHM Cc1cc(COC(=O)c2cnn[n-]2)nc(C)n1 ZINC000849776173 588497057 /nfs/dbraw/zinc/49/70/57/588497057.db2.gz DPJLBUKZCYTJQL-UHFFFAOYSA-N -1 3 233.231 0.569 20 0 BCADHM Cc1cc(COC(=O)c2c[n-]nn2)nc(C)n1 ZINC000849776173 588497058 /nfs/dbraw/zinc/49/70/58/588497058.db2.gz DPJLBUKZCYTJQL-UHFFFAOYSA-N -1 3 233.231 0.569 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCC1CCC1 ZINC000849896517 588508562 /nfs/dbraw/zinc/50/85/62/588508562.db2.gz YURBQPDCTKRYGB-QMMMGPOBSA-N -1 3 246.332 0.584 20 0 BCADHM CCCn1nccc1CNCC(=O)[N-]OCC ZINC000850340332 588537383 /nfs/dbraw/zinc/53/73/83/588537383.db2.gz YXZBZCFNUQKUNE-UHFFFAOYSA-N -1 3 240.307 0.450 20 0 BCADHM OC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000095143320 598856717 /nfs/dbraw/zinc/85/67/17/598856717.db2.gz ARLVQWDPLYDAFR-QMMMGPOBSA-N -1 3 246.274 0.080 20 0 BCADHM OC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000095143320 598856718 /nfs/dbraw/zinc/85/67/18/598856718.db2.gz ARLVQWDPLYDAFR-QMMMGPOBSA-N -1 3 246.274 0.080 20 0 BCADHM C[C@@H](C(=O)[O-])N(C[C@@H](O)C(F)(F)F)C1CC1 ZINC000851706441 588615048 /nfs/dbraw/zinc/61/50/48/588615048.db2.gz OAFLSSNNGGFSEV-CAHLUQPWSA-N -1 3 241.209 0.847 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000860581344 589107664 /nfs/dbraw/zinc/10/76/64/589107664.db2.gz QCIICZGSYNGRPB-MVWJERBFSA-N -1 3 246.266 0.105 20 0 BCADHM OCCCSc1ccc(-c2nnn[n-]2)cn1 ZINC000095163877 598860322 /nfs/dbraw/zinc/86/03/22/598860322.db2.gz NASUZPQONBPMQJ-UHFFFAOYSA-N -1 3 237.288 0.736 20 0 BCADHM OCCCSc1ccc(-c2nn[n-]n2)cn1 ZINC000095163877 598860323 /nfs/dbraw/zinc/86/03/23/598860323.db2.gz NASUZPQONBPMQJ-UHFFFAOYSA-N -1 3 237.288 0.736 20 0 BCADHM COc1cc(NC([O-])=NOCC2CC2)[nH]n1 ZINC000861381100 589162220 /nfs/dbraw/zinc/16/22/20/589162220.db2.gz PGLREQFVUOEMER-UHFFFAOYSA-N -1 3 226.236 0.881 20 0 BCADHM COc1cc(NC(=O)[N-]OCC2CC2)[nH]n1 ZINC000861381100 589162221 /nfs/dbraw/zinc/16/22/21/589162221.db2.gz PGLREQFVUOEMER-UHFFFAOYSA-N -1 3 226.236 0.881 20 0 BCADHM COc1cc(NC([O-])=NOCCSC)[nH]n1 ZINC000861381560 589162286 /nfs/dbraw/zinc/16/22/86/589162286.db2.gz QXVISKOAKBTJNJ-UHFFFAOYSA-N -1 3 246.292 0.834 20 0 BCADHM COc1cc(NC(=O)[N-]OCCSC)[nH]n1 ZINC000861381560 589162287 /nfs/dbraw/zinc/16/22/87/589162287.db2.gz QXVISKOAKBTJNJ-UHFFFAOYSA-N -1 3 246.292 0.834 20 0 BCADHM COCCON=C([O-])Nc1cnn(CCF)c1 ZINC000861482211 589166460 /nfs/dbraw/zinc/16/64/60/589166460.db2.gz IEXVZUHDVLBXLA-UHFFFAOYSA-N -1 3 246.242 0.552 20 0 BCADHM COCCO[N-]C(=O)Nc1cnn(CCF)c1 ZINC000861482211 589166461 /nfs/dbraw/zinc/16/64/61/589166461.db2.gz IEXVZUHDVLBXLA-UHFFFAOYSA-N -1 3 246.242 0.552 20 0 BCADHM CSCCO[N-]C(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC000861470994 589166559 /nfs/dbraw/zinc/16/65/59/589166559.db2.gz PUIDMHYBUUEWAT-SFYZADRCSA-N -1 3 246.332 0.312 20 0 BCADHM CSCCO[N-]C(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC000861471013 589166610 /nfs/dbraw/zinc/16/66/10/589166610.db2.gz PUIDMHYBUUEWAT-YUMQZZPRSA-N -1 3 246.332 0.312 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC000861809725 589179161 /nfs/dbraw/zinc/17/91/61/589179161.db2.gz VRGQXMZMXRFSGK-AEJSXWLSSA-N -1 3 242.319 0.995 20 0 BCADHM C[C@@H](C(=O)[N-]OCC1CC1)[C@@H]1CCC(=O)N1 ZINC000861823501 589179591 /nfs/dbraw/zinc/17/95/91/589179591.db2.gz JHSWWWWNFRNGAT-APPZFPTMSA-N -1 3 226.276 0.359 20 0 BCADHM Cc1cccc([O-])c1C(=O)NOCCN(C)C ZINC000861856161 589180715 /nfs/dbraw/zinc/18/07/15/589180715.db2.gz CYIWATZZJBXDSK-UHFFFAOYSA-N -1 3 238.287 0.924 20 0 BCADHM O=C(N[C@H]1C=CCC1)c1cc(=O)[n-]cn1 ZINC000862172643 589193461 /nfs/dbraw/zinc/19/34/61/589193461.db2.gz DQQFTZHKWYROKJ-ZETCQYMHSA-N -1 3 205.217 0.631 20 0 BCADHM O=C(N[C@H]1COC2(CCC2)C1)c1cc(=O)[n-]cn1 ZINC000862187279 589193940 /nfs/dbraw/zinc/19/39/40/589193940.db2.gz IAHUYCIXUZTXIK-MRVPVSSYSA-N -1 3 249.270 0.624 20 0 BCADHM COc1ccc(C(=O)[N-]N2CCOC2=O)cn1 ZINC000862697048 589232963 /nfs/dbraw/zinc/23/29/63/589232963.db2.gz XURVJJZVUCSCAH-UHFFFAOYSA-N -1 3 237.215 0.187 20 0 BCADHM O=C([N-]N1CCOC1=O)C1(C(F)F)CC1 ZINC000862704428 589235137 /nfs/dbraw/zinc/23/51/37/589235137.db2.gz JVWYWFPJHXPTOG-UHFFFAOYSA-N -1 3 220.175 0.515 20 0 BCADHM Cc1cccc([O-])c1C(=O)NN1CCOC1=O ZINC000862706023 589235645 /nfs/dbraw/zinc/23/56/45/589235645.db2.gz MPASYXPYNRSFHK-UHFFFAOYSA-N -1 3 236.227 0.798 20 0 BCADHM CSCC[C@H]([N-]C(=O)C(C)(F)F)C(N)=O ZINC000862715912 589236249 /nfs/dbraw/zinc/23/62/49/589236249.db2.gz PKSSKZBNOKWTNO-YFKPBYRVSA-N -1 3 240.275 0.365 20 0 BCADHM CO[N-]C(=O)CC[C@H](CC(C)C)C(=O)NOC ZINC000119398935 589276693 /nfs/dbraw/zinc/27/66/93/589276693.db2.gz VGTVTNRHPVFDGN-SECBINFHSA-N -1 3 246.307 0.784 20 0 BCADHM O=C([O-])[C@@H]1CCN(c2ccnc(CO)c2)C1 ZINC000863732439 589313769 /nfs/dbraw/zinc/31/37/69/589313769.db2.gz VJFCIMPUSBMVBD-MRVPVSSYSA-N -1 3 222.244 0.485 20 0 BCADHM O=C(c1cccc([O-])c1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863766801 589315662 /nfs/dbraw/zinc/31/56/62/589315662.db2.gz BZIDEPUNDICNRR-MWLCHTKSSA-N -1 3 247.250 0.637 20 0 BCADHM O=C(c1ccccc1[O-])N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000863764108 589315822 /nfs/dbraw/zinc/31/58/22/589315822.db2.gz PRHBMKGBUOGIID-PSASIEDQSA-N -1 3 247.250 0.637 20 0 BCADHM COCc1nnc([N-][C@H](C)COC)o1 ZINC000863980767 589332231 /nfs/dbraw/zinc/33/22/31/589332231.db2.gz PIJKLEUYVXDETA-ZCFIWIBFSA-N -1 3 201.226 0.663 20 0 BCADHM CCc1cc(C(=O)Nc2nnn(C)n2)ccc1[O-] ZINC000864089459 589342987 /nfs/dbraw/zinc/34/29/87/589342987.db2.gz POLXPIWUAQMHMZ-UHFFFAOYSA-N -1 3 247.258 0.730 20 0 BCADHM COc1cccc(NC(=O)CO[N-]C(C)=O)c1 ZINC000119927717 589348345 /nfs/dbraw/zinc/34/83/45/589348345.db2.gz KUEZCTGEBKPXFB-UHFFFAOYSA-N -1 3 238.243 0.701 20 0 BCADHM CC[C@H](NC(C)=O)C(=O)[N-]C1=NCCS1 ZINC000864604201 589383106 /nfs/dbraw/zinc/38/31/06/589383106.db2.gz QLXOHNVCWIIXNF-ZETCQYMHSA-N -1 3 229.305 0.120 20 0 BCADHM NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000204979524 589393117 /nfs/dbraw/zinc/39/31/17/589393117.db2.gz HTQIXMSKFGOQMM-UHFFFAOYSA-N -1 3 208.173 0.403 20 0 BCADHM CC[C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)CC ZINC000866370250 589486849 /nfs/dbraw/zinc/48/68/49/589486849.db2.gz UHDSQOYXADMUHX-WPPNPWJKSA-N -1 3 242.366 0.737 20 0 BCADHM COCCO[N-]C(=O)Cc1cccnc1Cl ZINC000866355197 589487682 /nfs/dbraw/zinc/48/76/82/589487682.db2.gz SNVQCLXVDRPWFE-UHFFFAOYSA-N -1 3 244.678 0.972 20 0 BCADHM CCCC[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000866377369 589488911 /nfs/dbraw/zinc/48/89/11/589488911.db2.gz IBBZJELKNYALCJ-UHFFFAOYSA-N -1 3 229.305 0.863 20 0 BCADHM C[N-]S(=O)(=O)c1cccc(F)c1OC ZINC000866379955 589489101 /nfs/dbraw/zinc/48/91/01/589489101.db2.gz WDHHMXJYICRNSU-UHFFFAOYSA-N -1 3 219.237 0.742 20 0 BCADHM CCOC1CC2(C[C@@H]2C(=O)[N-]OCCO)C1 ZINC000867496298 589522698 /nfs/dbraw/zinc/52/26/98/589522698.db2.gz HCRPDCVFPHFIRB-INWMGODYSA-N -1 3 229.276 0.232 20 0 BCADHM O=c1[nH]cc(S(=O)(=O)[N-][C@H]2C=CCC2)s1 ZINC000867506034 589523405 /nfs/dbraw/zinc/52/34/05/589523405.db2.gz LXYYFKROPMHZHG-LURJTMIESA-N -1 3 246.313 0.846 20 0 BCADHM C/C=C/C[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000867564987 589526262 /nfs/dbraw/zinc/52/62/62/589526262.db2.gz JZYSICCMWQBDCS-ONEGZZNKSA-N -1 3 227.289 0.639 20 0 BCADHM CN1C(=O)N=CC1C(=O)[N-]OC/C=C\Cl ZINC000868469708 589559488 /nfs/dbraw/zinc/55/94/88/589559488.db2.gz OUOUBBJOUDCZJG-IHWYPQMZSA-N -1 3 231.639 0.540 20 0 BCADHM CC(C)OCCO[N-]C(=O)CCCCO ZINC000868492733 589560923 /nfs/dbraw/zinc/56/09/23/589560923.db2.gz AJLGCGXLZSOESW-UHFFFAOYSA-N -1 3 219.281 0.622 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)[N-]OCCN(C)C)[C@@H](C)O1 ZINC000868628333 589569014 /nfs/dbraw/zinc/56/90/14/589569014.db2.gz RXOIQFWWOGIATD-OPRDCNLKSA-N -1 3 230.308 0.409 20 0 BCADHM C[C@@H]1C[C@@H](C(=O)[N-]OCCN(C)C)[C@H](C)O1 ZINC000868628332 589569221 /nfs/dbraw/zinc/56/92/21/589569221.db2.gz RXOIQFWWOGIATD-KXUCPTDWSA-N -1 3 230.308 0.409 20 0 BCADHM CN(C)CCO[N-]C(=O)C1(c2ccccn2)CC1 ZINC000868630299 589569587 /nfs/dbraw/zinc/56/95/87/589569587.db2.gz XDOAPDOVSJBPCT-UHFFFAOYSA-N -1 3 249.314 0.723 20 0 BCADHM CC(C)O[N-]C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000868657969 589570441 /nfs/dbraw/zinc/57/04/41/589570441.db2.gz LDEWAXFTMNAFPE-DTWKUNHWSA-N -1 3 244.291 0.256 20 0 BCADHM CCC=C(F)C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000869021279 589584803 /nfs/dbraw/zinc/58/48/03/589584803.db2.gz DHRKTHRBOWXMNC-XVNBXDOJSA-N -1 3 241.222 0.767 20 0 BCADHM CC1(C)CO[C@H](CN=c2ncnc3[nH][n-]cc2-3)C1 ZINC000871601578 589773586 /nfs/dbraw/zinc/77/35/86/589773586.db2.gz BHTXLLVFFSYYNL-QMMMGPOBSA-N -1 3 247.302 0.953 20 0 BCADHM CC(=O)[N-]O[C@H]1CCN(C2CCC2)C1=O ZINC000871729546 589798886 /nfs/dbraw/zinc/79/88/86/589798886.db2.gz SNNQCIMUSNLXRX-VIFPVBQESA-N -1 3 212.249 0.208 20 0 BCADHM CCCc1noc(Cn2c([O-])c(C)oc2=O)n1 ZINC000871781910 589816707 /nfs/dbraw/zinc/81/67/07/589816707.db2.gz JJTDELGPPRAQJK-ZCFIWIBFSA-N -1 3 239.231 0.889 20 0 BCADHM Cc1oc(=O)n(CC(=O)N2CCCCC2)c1[O-] ZINC000871782391 589817243 /nfs/dbraw/zinc/81/72/43/589817243.db2.gz OIRLEVNXVVAYBB-MRVPVSSYSA-N -1 3 240.259 0.366 20 0 BCADHM CCOC(=O)c1cc(-c2cn(CC)nn2)n[n-]1 ZINC000871886819 589828628 /nfs/dbraw/zinc/82/86/28/589828628.db2.gz STOWNXXHIFGFSS-UHFFFAOYSA-N -1 3 235.247 0.865 20 0 BCADHM CCOC(=O)c1cc(-c2cn(CC)nn2)[n-]n1 ZINC000871886819 589828630 /nfs/dbraw/zinc/82/86/30/589828630.db2.gz STOWNXXHIFGFSS-UHFFFAOYSA-N -1 3 235.247 0.865 20 0 BCADHM Cc1[n-]n(CCS(C)(=O)=O)c(=O)c1C1CC1 ZINC000871950776 589840658 /nfs/dbraw/zinc/84/06/58/589840658.db2.gz HBAPCFWLLJIJRV-SECBINFHSA-N -1 3 244.316 0.275 20 0 BCADHM Cc1c(=O)[n-]cnc1NC[C@H](O)COC(C)C ZINC000871981335 589851998 /nfs/dbraw/zinc/85/19/98/589851998.db2.gz RZIJNCLWLBQTGK-VIFPVBQESA-N -1 3 241.291 0.688 20 0 BCADHM C[C@H](CO)Nc1cc(Cl)n[n-]c1=O ZINC000872403809 589935541 /nfs/dbraw/zinc/93/55/41/589935541.db2.gz SHXHJEOJXGPFOY-SCSAIBSYSA-N -1 3 203.629 0.628 20 0 BCADHM C[C@@H]1C(=O)NCCN1c1cc(Cl)n[n-]c1=O ZINC000872474052 589943346 /nfs/dbraw/zinc/94/33/46/589943346.db2.gz BFDAITZKLQCLEY-RXMQYKEDSA-N -1 3 242.666 0.160 20 0 BCADHM C[C@H]1C(=O)NCCN1c1cc(Cl)n[n-]c1=O ZINC000872474053 589943399 /nfs/dbraw/zinc/94/33/99/589943399.db2.gz BFDAITZKLQCLEY-YFKPBYRVSA-N -1 3 242.666 0.160 20 0 BCADHM O=c1[n-]nc(Cl)cc1NCCCOCCO ZINC000872506455 589945649 /nfs/dbraw/zinc/94/56/49/589945649.db2.gz WVBGPQDMFXGYGO-UHFFFAOYSA-N -1 3 247.682 0.647 20 0 BCADHM COC[C@H](CO)[N-]c1nnc(C(C)C)o1 ZINC000872533573 589947494 /nfs/dbraw/zinc/94/74/94/589947494.db2.gz SAWDPJVNUSNTDR-ZETCQYMHSA-N -1 3 215.253 0.612 20 0 BCADHM O=S(=O)([N-]C[C@H]1C[C@H](O)C1)c1ccccn1 ZINC000872579226 589953434 /nfs/dbraw/zinc/95/34/34/589953434.db2.gz XQHMKQWAXPIXAB-KYZUINATSA-N -1 3 242.300 0.131 20 0 BCADHM C[C@H](N)[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000872777000 589969198 /nfs/dbraw/zinc/96/91/98/589969198.db2.gz QFEKHBXYVJQUFR-WHFBIAKZSA-N -1 3 216.672 0.983 20 0 BCADHM CCON(CC)C(=O)C(=O)[N-]c1cnns1 ZINC000874240556 590097592 /nfs/dbraw/zinc/09/75/92/590097592.db2.gz LJNATYJBWRJARS-UHFFFAOYSA-N -1 3 244.276 0.277 20 0 BCADHM CCn1ncc(NC(=O)c2nc[n-]n2)c1C ZINC000874816264 590140989 /nfs/dbraw/zinc/14/09/89/590140989.db2.gz AYYHRPZDBXZTAD-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM CCOCCOCCn1c([O-])coc1=O ZINC000877891408 590441142 /nfs/dbraw/zinc/44/11/42/590441142.db2.gz PCRVTXZAWNCLTD-UHFFFAOYSA-N -1 3 217.221 0.018 20 0 BCADHM c1cc(OCC2OCCO2)cc(-c2nnn[n-]2)c1 ZINC000738417765 598913151 /nfs/dbraw/zinc/91/31/51/598913151.db2.gz BIBMIWYBPLNHQG-UHFFFAOYSA-N -1 3 248.242 0.618 20 0 BCADHM c1cc(OCC2OCCO2)cc(-c2nn[n-]n2)c1 ZINC000738417765 598913152 /nfs/dbraw/zinc/91/31/52/598913152.db2.gz BIBMIWYBPLNHQG-UHFFFAOYSA-N -1 3 248.242 0.618 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C[C@H]2CCNC2=O)n1 ZINC000879442469 590771464 /nfs/dbraw/zinc/77/14/64/590771464.db2.gz UTIVXVXWZCYOTQ-MRVPVSSYSA-N -1 3 249.270 0.560 20 0 BCADHM O=C(CCn1cncn1)[N-]O[C@H]1CCCCO1 ZINC000128174150 590916141 /nfs/dbraw/zinc/91/61/41/590916141.db2.gz XQJOBOWMSLSKCJ-JTQLQIEISA-N -1 3 240.263 0.243 20 0 BCADHM CON(C)CCNC(=O)c1c([O-])cccc1O ZINC000880643202 591114799 /nfs/dbraw/zinc/11/47/99/591114799.db2.gz GGCXWZOCAAMOIA-UHFFFAOYSA-N -1 3 240.259 0.321 20 0 BCADHM COC(=O)C1([N-]S(=O)(=O)C2CCC2)CCC1 ZINC000882006404 591287595 /nfs/dbraw/zinc/28/75/95/591287595.db2.gz OZJUFANJDGEARM-UHFFFAOYSA-N -1 3 247.316 0.554 20 0 BCADHM C(Cc1nnn[n-]1)SC[C@H]1CCOCO1 ZINC000882184900 591312451 /nfs/dbraw/zinc/31/24/51/591312451.db2.gz RLYYXEDMYLHKIZ-SSDOTTSWSA-N -1 3 230.293 0.238 20 0 BCADHM C(Cc1nn[n-]n1)SC[C@H]1CCOCO1 ZINC000882184900 591312453 /nfs/dbraw/zinc/31/24/53/591312453.db2.gz RLYYXEDMYLHKIZ-SSDOTTSWSA-N -1 3 230.293 0.238 20 0 BCADHM Cc1ncc(Cn2c([O-])coc2=O)s1 ZINC000882275146 591324016 /nfs/dbraw/zinc/32/40/16/591324016.db2.gz OCFCIFPIUNFEJQ-UHFFFAOYSA-N -1 3 212.230 0.930 20 0 BCADHM CCCCCNC(=O)Cn1c([O-])coc1=O ZINC000882273239 591324038 /nfs/dbraw/zinc/32/40/38/591324038.db2.gz JFQSDHKJARAHPO-UHFFFAOYSA-N -1 3 228.248 0.272 20 0 BCADHM CCCc1noc(Cn2c([O-])coc2=O)n1 ZINC000882273254 591324299 /nfs/dbraw/zinc/32/42/99/591324299.db2.gz DFPHPIRLSKTXRG-UHFFFAOYSA-N -1 3 225.204 0.501 20 0 BCADHM CCn1nc(C)c(Cn2c([O-])coc2=O)n1 ZINC000882276413 591324393 /nfs/dbraw/zinc/32/43/93/591324393.db2.gz JFTPYKPMAOOHRQ-UHFFFAOYSA-N -1 3 224.220 0.085 20 0 BCADHM CC(C)(C)n1cc(Cn2c([O-])coc2=O)nn1 ZINC000882276151 591324947 /nfs/dbraw/zinc/32/49/47/591324947.db2.gz BXQLCQOMBTZADX-UHFFFAOYSA-N -1 3 238.247 0.512 20 0 BCADHM COc1ncc(Cn2c([O-])coc2=O)c(C)n1 ZINC000882276658 591324979 /nfs/dbraw/zinc/32/49/79/591324979.db2.gz SOFGAWDCMOTUJT-UHFFFAOYSA-N -1 3 237.215 0.272 20 0 BCADHM COc1cc(Cn2c([O-])coc2=O)on1 ZINC000882277178 591325393 /nfs/dbraw/zinc/32/53/93/591325393.db2.gz YRHXCRXRUUVHJG-UHFFFAOYSA-N -1 3 212.161 0.162 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-]C[C@@H]1C=CCC1 ZINC000882558228 591390338 /nfs/dbraw/zinc/39/03/38/591390338.db2.gz RGCCRWOIJKDWPX-MRVPVSSYSA-N -1 3 242.304 0.060 20 0 BCADHM C[C@@H](CO)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC000095154921 598971566 /nfs/dbraw/zinc/97/15/66/598971566.db2.gz NRFHDMGZAQJANJ-JGVFFNPUSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](CO)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC000095154921 598971569 /nfs/dbraw/zinc/97/15/69/598971569.db2.gz NRFHDMGZAQJANJ-JGVFFNPUSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)CO ZINC000095154922 598971782 /nfs/dbraw/zinc/97/17/82/598971782.db2.gz NRFHDMGZAQJANJ-HTQZYQBOSA-N -1 3 248.290 0.691 20 0 BCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)CO ZINC000095154922 598971783 /nfs/dbraw/zinc/97/17/83/598971783.db2.gz NRFHDMGZAQJANJ-HTQZYQBOSA-N -1 3 248.290 0.691 20 0 BCADHM O=C([O-])[C@@H]1CCN(CCn2ccccc2=O)C1 ZINC000214506972 591578133 /nfs/dbraw/zinc/57/81/33/591578133.db2.gz QOAMLRBCSYDWER-SNVBAGLBSA-N -1 3 236.271 0.255 20 0 BCADHM O=C(O[C@@H]1CCNC1=O)c1cccc2nn[n-]c21 ZINC000800207946 591839592 /nfs/dbraw/zinc/83/95/92/591839592.db2.gz JATAEGRHNJBXRL-MRVPVSSYSA-N -1 3 246.226 0.003 20 0 BCADHM O=C(O[C@@H]1CCNC1=O)c1cccc2[n-]nnc21 ZINC000800207946 591839593 /nfs/dbraw/zinc/83/95/93/591839593.db2.gz JATAEGRHNJBXRL-MRVPVSSYSA-N -1 3 246.226 0.003 20 0 BCADHM O=C(O[C@@H]1CCNC1=O)c1cccc2n[n-]nc21 ZINC000800207946 591839595 /nfs/dbraw/zinc/83/95/95/591839595.db2.gz JATAEGRHNJBXRL-MRVPVSSYSA-N -1 3 246.226 0.003 20 0 BCADHM O=C(OCCCCO)c1cccc2nn[n-]c21 ZINC000800209247 591839888 /nfs/dbraw/zinc/83/98/88/591839888.db2.gz XXILTJDIXTWSLK-UHFFFAOYSA-N -1 3 235.243 0.887 20 0 BCADHM O=C(OCCCCO)c1cccc2[n-]nnc21 ZINC000800209247 591839892 /nfs/dbraw/zinc/83/98/92/591839892.db2.gz XXILTJDIXTWSLK-UHFFFAOYSA-N -1 3 235.243 0.887 20 0 BCADHM O=C(OCCCCO)c1cccc2n[n-]nc21 ZINC000800209247 591839896 /nfs/dbraw/zinc/83/98/96/591839896.db2.gz XXILTJDIXTWSLK-UHFFFAOYSA-N -1 3 235.243 0.887 20 0 BCADHM C[C@]1(NC(=O)c2ccccc2[O-])CCNC1=O ZINC000889043201 591849603 /nfs/dbraw/zinc/84/96/03/591849603.db2.gz YSLASPHZMQNSKP-LBPRGKRZSA-N -1 3 234.255 0.401 20 0 BCADHM COCCO[N-]C(=O)C[C@H](C)COC ZINC000133767534 591856339 /nfs/dbraw/zinc/85/63/39/591856339.db2.gz NEQQMNJAGFOKCJ-QMMMGPOBSA-N -1 3 205.254 0.353 20 0 BCADHM O=C(OC[C@H]1C[C@@]12CCOC2)c1cnn[n-]1 ZINC000884507655 591960289 /nfs/dbraw/zinc/96/02/89/591960289.db2.gz JJGDGQYWGPQLSJ-GMSGAONNSA-N -1 3 223.232 0.388 20 0 BCADHM O=C(OC[C@H]1C[C@@]12CCOC2)c1c[n-]nn1 ZINC000884507655 591960290 /nfs/dbraw/zinc/96/02/90/591960290.db2.gz JJGDGQYWGPQLSJ-GMSGAONNSA-N -1 3 223.232 0.388 20 0 BCADHM Cc1c[nH]nc1COC(=O)c1cnn[n-]1 ZINC000884507467 591960425 /nfs/dbraw/zinc/96/04/25/591960425.db2.gz DFUOKIWWSVFRDB-UHFFFAOYSA-N -1 3 207.193 0.193 20 0 BCADHM Cc1c[nH]nc1COC(=O)c1c[n-]nn1 ZINC000884507467 591960427 /nfs/dbraw/zinc/96/04/27/591960427.db2.gz DFUOKIWWSVFRDB-UHFFFAOYSA-N -1 3 207.193 0.193 20 0 BCADHM O=C([N-]OC1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000135142678 591991859 /nfs/dbraw/zinc/99/18/59/591991859.db2.gz MQLCSDVLPNXNJD-MRVPVSSYSA-N -1 3 247.316 0.412 20 0 BCADHM CCC(C)(CC)C(=O)[N-]OCC(N)=O ZINC000135349568 592008151 /nfs/dbraw/zinc/00/81/51/592008151.db2.gz PBGFWEJGASHFOF-UHFFFAOYSA-N -1 3 202.254 0.346 20 0 BCADHM CC[C@@H](C(N)=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000216194434 592012235 /nfs/dbraw/zinc/01/22/35/592012235.db2.gz SYXGPYIMSBUPTE-IUCAKERBSA-N -1 3 228.292 0.437 20 0 BCADHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccns2)C1 ZINC000884972655 592031064 /nfs/dbraw/zinc/03/10/64/592031064.db2.gz SCOFBGARMOSODD-SSDOTTSWSA-N -1 3 247.345 0.126 20 0 BCADHM C[C@H]1CCC(=O)CN1C(=O)c1cc(=O)[n-]cn1 ZINC000885071795 592045448 /nfs/dbraw/zinc/04/54/48/592045448.db2.gz KWDLALDBELZYQA-ZETCQYMHSA-N -1 3 235.243 0.376 20 0 BCADHM C[C@@H](CF)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000885409721 592076762 /nfs/dbraw/zinc/07/67/62/592076762.db2.gz VNBLBTAVFCNVPZ-BYPYZUCNSA-N -1 3 240.281 0.485 20 0 BCADHM COCCCS(=O)(=O)[N-]C(CF)CF ZINC000885418547 592077534 /nfs/dbraw/zinc/07/75/34/592077534.db2.gz XHQHNJRZYNDUEF-UHFFFAOYSA-N -1 3 231.264 0.250 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@]23C[C@H]2COC3)o1 ZINC000885495777 592081730 /nfs/dbraw/zinc/08/17/30/592081730.db2.gz OTRHDYWUFUIPGM-WPRPVWTQSA-N -1 3 243.284 0.655 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H]1CCC(=O)O1 ZINC000886272876 592192810 /nfs/dbraw/zinc/19/28/10/592192810.db2.gz FQEUKZNNOGYGQF-SECBINFHSA-N -1 3 236.227 0.109 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H]1C[C@@H](O)C1 ZINC000886272908 592194016 /nfs/dbraw/zinc/19/40/16/592194016.db2.gz GVLUPIUFMKBZJI-DTORHVGOSA-N -1 3 222.244 0.174 20 0 BCADHM CC[C@H](O)[C@H](C)C(=O)NCc1cncc([O-])c1 ZINC000886273062 592194078 /nfs/dbraw/zinc/19/40/78/592194078.db2.gz KXQGEFDWGWKTTI-KWQFWETISA-N -1 3 238.287 0.810 20 0 BCADHM CC(C)[C@H](O)C(=O)NCc1cncc([O-])c1 ZINC000886274855 592194601 /nfs/dbraw/zinc/19/46/01/592194601.db2.gz DYKQRWIYODQGLE-JTQLQIEISA-N -1 3 224.260 0.420 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@@H](O)C1CC1 ZINC000886275345 592195790 /nfs/dbraw/zinc/19/57/90/592195790.db2.gz VXZYYXVOFQBVTO-JTQLQIEISA-N -1 3 222.244 0.174 20 0 BCADHM CO[C@H](C(=O)NCc1cncc([O-])c1)C1CC1 ZINC000886276476 592196254 /nfs/dbraw/zinc/19/62/54/592196254.db2.gz JZHDEBLEYIHDSY-NSHDSACASA-N -1 3 236.271 0.828 20 0 BCADHM O=C(NCc1cncc([O-])c1)C1CC(=O)C1 ZINC000886277733 592196296 /nfs/dbraw/zinc/19/62/96/592196296.db2.gz AXGVNGXYRVOWLO-UHFFFAOYSA-N -1 3 220.228 0.383 20 0 BCADHM Cc1nc[nH]c1CC(=O)NCc1cncc([O-])c1 ZINC000886276857 592196351 /nfs/dbraw/zinc/19/63/51/592196351.db2.gz XLCQNDKDSMLNGI-UHFFFAOYSA-N -1 3 246.270 0.678 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H]1CCCC(=O)N1 ZINC000886276704 592196355 /nfs/dbraw/zinc/19/63/55/592196355.db2.gz QGGSBILBBQGCCN-SNVBAGLBSA-N -1 3 249.270 0.072 20 0 BCADHM CCC[C@H](O)CC(=O)NCc1cncc([O-])c1 ZINC000886278345 592197046 /nfs/dbraw/zinc/19/70/46/592197046.db2.gz WJZRDVCIDMSAIW-JTQLQIEISA-N -1 3 238.287 0.955 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@@H]1CCOC1 ZINC000886280100 592198072 /nfs/dbraw/zinc/19/80/72/592198072.db2.gz VCWVDVZIEYSKBH-SECBINFHSA-N -1 3 222.244 0.440 20 0 BCADHM O=C(CCn1ccnc1)NCc1cncc([O-])c1 ZINC000886279865 592198207 /nfs/dbraw/zinc/19/82/07/592198207.db2.gz MVVQCFIIJJPHMC-UHFFFAOYSA-N -1 3 246.270 0.690 20 0 BCADHM O=C(NCc1cncc([O-])c1)C1=COCC1 ZINC000886279808 592198565 /nfs/dbraw/zinc/19/85/65/592198565.db2.gz LFYUMGWLEBQTBY-UHFFFAOYSA-N -1 3 220.228 0.708 20 0 BCADHM CCO[C@@H]1C[C@H]1C(=O)NCc1cncc([O-])c1 ZINC000886281610 592199003 /nfs/dbraw/zinc/19/90/03/592199003.db2.gz DTAZTMCJYVCZQU-GHMZBOCLSA-N -1 3 236.271 0.828 20 0 BCADHM Cc1c(C(=O)NCc2cncc([O-])c2)cnn1C ZINC000886281541 592199471 /nfs/dbraw/zinc/19/94/71/592199471.db2.gz BIZVPEZPFLFTTH-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM C[C@@H](C(=O)N(C)C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000219522078 592226926 /nfs/dbraw/zinc/22/69/26/592226926.db2.gz YCKRDCUCUNUDGW-DTWKUNHWSA-N -1 3 228.292 0.260 20 0 BCADHM C[C@@H](CC(N)=O)NCc1ccc(C(=O)[O-])o1 ZINC000220430612 592309401 /nfs/dbraw/zinc/30/94/01/592309401.db2.gz NCAXSPJXPNPWFV-LURJTMIESA-N -1 3 226.232 0.331 20 0 BCADHM O=C(N[C@H]1C[C@H](CO)C1)c1ccc(O)cc1[O-] ZINC000886889942 592386615 /nfs/dbraw/zinc/38/66/15/592386615.db2.gz OZMMMRQINCAMAA-ZKCHVHJHSA-N -1 3 237.255 0.599 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1C[C@H](CO)C1 ZINC000886890079 592387873 /nfs/dbraw/zinc/38/78/73/592387873.db2.gz UUABNIPGBRPJPK-YOUZAFMCSA-N -1 3 248.282 0.688 20 0 BCADHM O=C(N[C@H]1C[C@H](CO)C1)c1cccc([O-])c1 ZINC000886902283 592392157 /nfs/dbraw/zinc/39/21/57/592392157.db2.gz BBPSACZTXIJQNY-CZMCAQCFSA-N -1 3 221.256 0.893 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000221328431 592413994 /nfs/dbraw/zinc/41/39/94/592413994.db2.gz XKPYQRZAVZTXOW-HRDYMLBCSA-N -1 3 228.292 0.449 20 0 BCADHM CO[C@]1(C(=O)[N-]C2=NCCS2)CCSC1 ZINC000887914530 592557987 /nfs/dbraw/zinc/55/79/87/592557987.db2.gz MXNCPZDRLZBMJZ-SECBINFHSA-N -1 3 246.357 0.728 20 0 BCADHM Cc1cc(C(=O)N2CC[C@@H]2CO)ccc1[O-] ZINC000889148344 592586007 /nfs/dbraw/zinc/58/60/07/592586007.db2.gz UIKDVSRKSJVSND-SNVBAGLBSA-N -1 3 221.256 0.907 20 0 BCADHM Cc1coc(C(=O)[N-]c2nnn(C)n2)c1 ZINC000889622878 592632197 /nfs/dbraw/zinc/63/21/97/592632197.db2.gz MSUXJUWFNSZYSN-UHFFFAOYSA-N -1 3 207.193 0.364 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1nnc(C)[nH]1 ZINC000889698920 592647801 /nfs/dbraw/zinc/64/78/01/592647801.db2.gz YJAVWYYMUOTBMV-UHFFFAOYSA-N -1 3 218.207 0.775 20 0 BCADHM CC(C)Oc1cnccc1NC(=O)c1nc[n-]n1 ZINC000889951648 592664147 /nfs/dbraw/zinc/66/41/47/592664147.db2.gz UEZGPBQBXMPMBD-UHFFFAOYSA-N -1 3 247.258 0.661 20 0 BCADHM O=C([O-])C[C@@H]1CN(CCCCCCO)CCO1 ZINC000236490866 601451958 /nfs/dbraw/zinc/45/19/58/601451958.db2.gz KIABEONRESIFLF-LLVKDONJSA-N -1 3 245.319 0.715 20 0 BCADHM CS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000095192628 599067027 /nfs/dbraw/zinc/06/70/27/599067027.db2.gz UVLKPMZLSCNOSO-UHFFFAOYSA-N -1 3 242.235 0.409 20 0 BCADHM CS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000095192628 599067029 /nfs/dbraw/zinc/06/70/29/599067029.db2.gz UVLKPMZLSCNOSO-UHFFFAOYSA-N -1 3 242.235 0.409 20 0 BCADHM C#CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000095119983 599205428 /nfs/dbraw/zinc/20/54/28/599205428.db2.gz QZHGRDPICDAGEW-UHFFFAOYSA-N -1 3 245.202 0.215 20 0 BCADHM C#CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000095119983 599205431 /nfs/dbraw/zinc/20/54/31/599205431.db2.gz QZHGRDPICDAGEW-UHFFFAOYSA-N -1 3 245.202 0.215 20 0 BCADHM CCC/C=C\C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000739329825 596966989 /nfs/dbraw/zinc/96/69/89/596966989.db2.gz KFLLDGWSIPHZIL-SREVYHEPSA-N -1 3 242.319 0.818 20 0 BCADHM CC(C)CN1CCN([C@H](C)C(=O)[O-])CC1 ZINC000051659429 597055639 /nfs/dbraw/zinc/05/56/39/597055639.db2.gz QVTQQYUZFGPUJM-SNVBAGLBSA-N -1 3 214.309 0.733 20 0 BCADHM C[C@H](NCc1nccn1C(F)F)C(=O)[O-] ZINC000035387426 597071686 /nfs/dbraw/zinc/07/16/86/597071686.db2.gz LQSCTPCUEYVXCE-YFKPBYRVSA-N -1 3 219.191 0.841 20 0 BCADHM O=C([O-])CCNCc1cn2ccccc2n1 ZINC000035386784 597133098 /nfs/dbraw/zinc/13/30/98/597133098.db2.gz JXTWTSOSPFRLED-UHFFFAOYSA-N -1 3 219.244 0.899 20 0 BCADHM Cc1ccc([O-])c(C[NH2+]CCC(=O)[O-])n1 ZINC000085972050 597134302 /nfs/dbraw/zinc/13/43/02/597134302.db2.gz KDZGYTBBMDBIFA-UHFFFAOYSA-N -1 3 210.233 0.660 20 0 BCADHM CCN1CCC[C@H](NC(=O)NCCC(=O)[O-])C1 ZINC000049227556 597286420 /nfs/dbraw/zinc/28/64/20/597286420.db2.gz MLNNCFQMPINIBC-VIFPVBQESA-N -1 3 243.307 0.245 20 0 BCADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC(O)C2)n1 ZINC000095320795 599263271 /nfs/dbraw/zinc/26/32/71/599263271.db2.gz DWMYLIHZEDNRRP-UHFFFAOYSA-N -1 3 246.274 0.059 20 0 BCADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC(O)C2)n1 ZINC000095320795 599263272 /nfs/dbraw/zinc/26/32/72/599263272.db2.gz DWMYLIHZEDNRRP-UHFFFAOYSA-N -1 3 246.274 0.059 20 0 BCADHM O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000095219043 599265860 /nfs/dbraw/zinc/26/58/60/599265860.db2.gz JBVLLRLESHWWKQ-MRVPVSSYSA-N -1 3 249.249 0.577 20 0 BCADHM O=C([O-])CCCN1CCOC[C@H]1C1CC1 ZINC000389996434 597803927 /nfs/dbraw/zinc/80/39/27/597803927.db2.gz QOPIMFAXOKOZRZ-JTQLQIEISA-N -1 3 213.277 0.962 20 0 BCADHM C[C@@H](NCC(=O)NCC(=O)[O-])c1ccccc1 ZINC000820141581 597808978 /nfs/dbraw/zinc/80/89/78/597808978.db2.gz FGNAOIZFZSYSAE-SECBINFHSA-N -1 3 236.271 0.538 20 0 BCADHM CCC[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N(C)C ZINC000820304472 598052322 /nfs/dbraw/zinc/05/23/22/598052322.db2.gz UESLFRDEZCPXEN-VHSXEESVSA-N -1 3 242.319 0.650 20 0 BCADHM CC(C)N(C)CC(=O)N(CC(=O)[O-])C(C)C ZINC000194948394 598074211 /nfs/dbraw/zinc/07/42/11/598074211.db2.gz IPCOYGGFJIMCEU-UHFFFAOYSA-N -1 3 230.308 0.648 20 0 BCADHM O=C([O-])[C@H]1CCN(Cc2cncnc2)C1 ZINC000257662949 598127701 /nfs/dbraw/zinc/12/77/01/598127701.db2.gz JOLJOZQIJGDYKJ-VIFPVBQESA-N -1 3 207.233 0.383 20 0 BCADHM Cn1nccc1CN1CC[C@@H](C(=O)[O-])C1 ZINC000083413535 598130037 /nfs/dbraw/zinc/13/00/37/598130037.db2.gz VNDCBEQTQGPFRW-MRVPVSSYSA-N -1 3 209.249 0.327 20 0 BCADHM CC(C)N(C)CC(=O)NCCCCC(=O)[O-] ZINC000309699626 598167889 /nfs/dbraw/zinc/16/78/89/598167889.db2.gz SJLRFMCZYIRKTG-UHFFFAOYSA-N -1 3 230.308 0.698 20 0 BCADHM O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000095233083 598243610 /nfs/dbraw/zinc/24/36/10/598243610.db2.gz XEOHGNLDGQJWIX-JTQLQIEISA-N -1 3 231.259 0.438 20 0 BCADHM CC(C)CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735839551 598435259 /nfs/dbraw/zinc/43/52/59/598435259.db2.gz YBIOZWCWOYGTEP-UHFFFAOYSA-N -1 3 246.274 0.648 20 0 BCADHM CC(C)CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735839551 598435261 /nfs/dbraw/zinc/43/52/61/598435261.db2.gz YBIOZWCWOYGTEP-UHFFFAOYSA-N -1 3 246.274 0.648 20 0 BCADHM COCCC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095297929 598659734 /nfs/dbraw/zinc/65/97/34/598659734.db2.gz DXSGWXWNRKJKST-UHFFFAOYSA-N -1 3 248.246 0.237 20 0 BCADHM COCCC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095297929 598659736 /nfs/dbraw/zinc/65/97/36/598659736.db2.gz DXSGWXWNRKJKST-UHFFFAOYSA-N -1 3 248.246 0.237 20 0 BCADHM OC[C@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC000095220107 598816133 /nfs/dbraw/zinc/81/61/33/598816133.db2.gz YSRRAVFANLBFHD-MRVPVSSYSA-N -1 3 246.274 0.223 20 0 BCADHM OC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000095159518 598815762 /nfs/dbraw/zinc/81/57/62/598815762.db2.gz YEAVAFPVZXIQFL-NSHDSACASA-N -1 3 245.286 0.828 20 0 BCADHM OC[C@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC000095220107 598816132 /nfs/dbraw/zinc/81/61/32/598816132.db2.gz YSRRAVFANLBFHD-MRVPVSSYSA-N -1 3 246.274 0.223 20 0 BCADHM C[C@@H](CCO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735987397 599528338 /nfs/dbraw/zinc/52/83/38/599528338.db2.gz UOYHVOTVKISEQZ-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@@H](CCO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735987397 599528339 /nfs/dbraw/zinc/52/83/39/599528339.db2.gz UOYHVOTVKISEQZ-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM O=C([O-])[C@@H]1CN(CC2(O)CCCCC2)CCO1 ZINC000087458790 600000772 /nfs/dbraw/zinc/00/07/72/600000772.db2.gz ZOHHBFYQCZHFEH-JTQLQIEISA-N -1 3 243.303 0.467 20 0 BCADHM CC(C)N(CCC(=O)[O-])CC(=O)N(C)C1CC1 ZINC000049306399 600221421 /nfs/dbraw/zinc/22/14/21/600221421.db2.gz YESBBUDRTCCAPK-UHFFFAOYSA-N -1 3 242.319 0.792 20 0 BCADHM C[C@@H](CN(C)[C@@H](C)C(=O)NC1CC1)C(=O)[O-] ZINC000042706288 600371886 /nfs/dbraw/zinc/37/18/86/600371886.db2.gz ICNBZCUUDKMMPP-YUMQZZPRSA-N -1 3 228.292 0.306 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1CC(=O)NCC(=O)[O-] ZINC000308821697 600756719 /nfs/dbraw/zinc/75/67/19/600756719.db2.gz CGGGIDIXVDMHKT-HTQZYQBOSA-N -1 3 214.265 0.060 20 0 BCADHM C[C@@H]1CN(C[C@@](C)(O)C(=O)[O-])CC(C)(C)O1 ZINC000227069672 600762281 /nfs/dbraw/zinc/76/22/81/600762281.db2.gz DUNOESRNURCPQT-LDYMZIIASA-N -1 3 231.292 0.321 20 0 BCADHM CCCN(C)CC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000737007876 600788101 /nfs/dbraw/zinc/78/81/01/600788101.db2.gz PCAACSHZVUKYAK-LBPRGKRZSA-N -1 3 242.319 0.698 20 0 BCADHM O=C([O-])CN1CCc2ccc(O)cc2C1 ZINC000308895386 600957959 /nfs/dbraw/zinc/95/79/59/600957959.db2.gz ZEXFHONMQRCCAY-UHFFFAOYSA-N -1 3 207.229 0.835 20 0 BCADHM O=C([O-])C[C@H]1CN(C[C@H]2CCOC2)CCO1 ZINC000250794569 601451895 /nfs/dbraw/zinc/45/18/95/601451895.db2.gz AGSISGMJASATRX-ZJUUUORDSA-N -1 3 229.276 0.198 20 0 BCADHM CS(=O)(=O)CCCN1CCCC[C@@H]1C(=O)[O-] ZINC000063016064 601575766 /nfs/dbraw/zinc/57/57/66/601575766.db2.gz KNTGRVIQLLRNCT-SECBINFHSA-N -1 3 249.332 0.360 20 0 BCADHM CC(C)N(C)CC(=O)NCC(C)(C)C(=O)[O-] ZINC000309693753 601708791 /nfs/dbraw/zinc/70/87/91/601708791.db2.gz QPLPOBWSLORJQQ-UHFFFAOYSA-N -1 3 230.308 0.554 20 0 BCADHM COCC[C@H](C)N1CCO[C@H](CC(=O)[O-])C1 ZINC000085618530 601841679 /nfs/dbraw/zinc/84/16/79/601841679.db2.gz KYUUJUBDNLORPR-VHSXEESVSA-N -1 3 231.292 0.587 20 0 BCADHM CCCCN(CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000037474192 601844076 /nfs/dbraw/zinc/84/40/76/601844076.db2.gz NXFJNVISPOPOEG-SECBINFHSA-N -1 3 249.332 0.360 20 0 BCADHM CS(=O)(=O)CCCCN1CCC[C@@H]1C(=O)[O-] ZINC000705565465 601856953 /nfs/dbraw/zinc/85/69/53/601856953.db2.gz LUAJHGUTWBCBFA-SECBINFHSA-N -1 3 249.332 0.360 20 0 BCADHM C[C@H](CN1CCC[C@H]1C(=O)[O-])CS(C)(=O)=O ZINC000705560043 601957759 /nfs/dbraw/zinc/95/77/59/601957759.db2.gz BHVLQVPIZSNYDI-BDAKNGLRSA-N -1 3 249.332 0.216 20 0 BCADHM Cn1ncc2c1CCC[C@@H]2NCCNC(=O)[O-] ZINC000740298985 602049417 /nfs/dbraw/zinc/04/94/17/602049417.db2.gz ZJBMHUBQSNUADH-VIFPVBQESA-N -1 3 238.291 0.655 20 0 BCADHM Cn1cc(CNC[C@@H]2CCCN2C(=O)[O-])cn1 ZINC000740288844 602051388 /nfs/dbraw/zinc/05/13/88/602051388.db2.gz HKHGGTBPSYGGDP-JTQLQIEISA-N -1 3 238.291 0.652 20 0 BCADHM C[C@@H](CC(=O)[O-])C(=O)N[C@H]1CCCN(C)C1 ZINC000258629452 602149696 /nfs/dbraw/zinc/14/96/96/602149696.db2.gz CWKQPCIIHGDJFX-IUCAKERBSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCCN(C)C1 ZINC000258629454 602150038 /nfs/dbraw/zinc/15/00/38/602150038.db2.gz CWKQPCIIHGDJFX-RKDXNWHRSA-N -1 3 228.292 0.308 20 0 BCADHM CN(CC(=O)NCCN1CCCCC1)C(=O)[O-] ZINC000739623891 602162312 /nfs/dbraw/zinc/16/23/12/602162312.db2.gz RHPPOGISCPQGHU-UHFFFAOYSA-N -1 3 243.307 0.198 20 0 BCADHM CCN1CCC[C@@H](NC(=O)CN(C)C(=O)[O-])C1 ZINC000739453602 602193658 /nfs/dbraw/zinc/19/36/58/602193658.db2.gz GSXURSCNPPDPRX-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM C[C@@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000043559680 602272955 /nfs/dbraw/zinc/27/29/55/602272955.db2.gz RBNQDSPZAMQTBJ-RGOKHQFPSA-N -1 3 242.319 0.837 20 0 BCADHM Cc1n[nH]c(C)c1CNCCN(C)C(=O)[O-] ZINC000740202841 602294472 /nfs/dbraw/zinc/29/44/72/602294472.db2.gz HSCXIPNSADARJU-UHFFFAOYSA-N -1 3 226.280 0.726 20 0 BCADHM CCN(CCNc1cc(C)nc(N)n1)C(=O)[O-] ZINC000739438304 602323465 /nfs/dbraw/zinc/32/34/65/602323465.db2.gz DDBZDLGAJDKAKJ-UHFFFAOYSA-N -1 3 239.279 0.779 20 0 BCADHM CC[C@@H](C(N)=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739215314 602543118 /nfs/dbraw/zinc/54/31/18/602543118.db2.gz XWIHWPMSSCGFOF-IUCAKERBSA-N -1 3 243.307 0.182 20 0 BCADHM CC(C)OCCN(C)[C@@H](C)CNC(=O)[O-] ZINC000738860025 602560418 /nfs/dbraw/zinc/56/04/18/602560418.db2.gz ZPKBCVFZUBWPBD-VIFPVBQESA-N -1 3 218.297 0.999 20 0 BCADHM O=C([O-])N1CCC(NCc2cc[nH]n2)CC1 ZINC000738641648 602648008 /nfs/dbraw/zinc/64/80/08/602648008.db2.gz XBFHUHZRMFEEHL-UHFFFAOYSA-N -1 3 224.264 0.642 20 0 BCADHM C[C@H](CCNCc1cc[nH]n1)NC(=O)[O-] ZINC000738908640 602649850 /nfs/dbraw/zinc/64/98/50/602649850.db2.gz XUDACGWEAJFLPV-SSDOTTSWSA-N -1 3 212.253 0.546 20 0 BCADHM CCn1cc(CNCCN(C)C(=O)[O-])cn1 ZINC000739568194 602673146 /nfs/dbraw/zinc/67/31/46/602673146.db2.gz ZJXUESAWQHLIHE-UHFFFAOYSA-N -1 3 226.280 0.602 20 0 BCADHM COC[C@@H](O)CN1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739810113 602691260 /nfs/dbraw/zinc/69/12/60/602691260.db2.gz IXFXORURJHILKY-ZJUUUORDSA-N -1 3 246.307 0.068 20 0 BCADHM CNC(=O)CCN1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739740351 602826404 /nfs/dbraw/zinc/82/64/04/602826404.db2.gz KVASLRWLUBOARS-IUCAKERBSA-N -1 3 243.307 0.195 20 0 BCADHM C[C@@H]1CN(CC(C)(C)O)C[C@H](C)N1C(=O)[O-] ZINC000739177142 602830505 /nfs/dbraw/zinc/83/05/05/602830505.db2.gz GGBZGVZVNBHSPF-DTORHVGOSA-N -1 3 230.308 0.830 20 0 BCADHM Cn1cc(CN[C@H]2CCN(C(=O)[O-])C2)cn1 ZINC000740288098 602876383 /nfs/dbraw/zinc/87/63/83/602876383.db2.gz BMDGPLZOCOOACX-VIFPVBQESA-N -1 3 224.264 0.262 20 0 BCADHM O=C([O-])NCCN[C@H](CO)c1ccccc1 ZINC000740658828 602929719 /nfs/dbraw/zinc/92/97/19/602929719.db2.gz MQSKANRHWZIYIO-SNVBAGLBSA-N -1 3 224.260 0.577 20 0 BCADHM O=C([O-])NCC[NH2+]Cc1ccc([O-])c(F)c1 ZINC000740658973 602881800 /nfs/dbraw/zinc/88/18/00/602881800.db2.gz OCEIURPQFAHGGE-UHFFFAOYSA-N -1 3 228.223 0.889 20 0 BCADHM CCOCCN(C)[C@@H](C)CNC(=O)[O-] ZINC000739493415 603066477 /nfs/dbraw/zinc/06/64/77/603066477.db2.gz TTYASFRNHSRTHX-QMMMGPOBSA-N -1 3 204.270 0.611 20 0 BCADHM CCOCCN1CCC(NC(=O)[O-])CC1 ZINC000739491455 603066839 /nfs/dbraw/zinc/06/68/39/603066839.db2.gz FVMFMJSEAVRRIT-UHFFFAOYSA-N -1 3 216.281 0.755 20 0 BCADHM CN(C(=O)[O-])[C@@H]1CCCN(CCOCCO)C1 ZINC000739584777 603082730 /nfs/dbraw/zinc/08/27/30/603082730.db2.gz MRSGPNVTOGKEHL-SNVBAGLBSA-N -1 3 246.307 0.070 20 0 BCADHM O=C([O-])NC[C@H]1CCCCN1CCOCCO ZINC000740623113 603083039 /nfs/dbraw/zinc/08/30/39/603083039.db2.gz LXKCJIMXVXBETH-SNVBAGLBSA-N -1 3 246.307 0.117 20 0 BCADHM CN(CCNC(=O)[O-])C[C@@H]1CCCCO1 ZINC000739697661 603083630 /nfs/dbraw/zinc/08/36/30/603083630.db2.gz ODYQUTPYEBMJBD-VIFPVBQESA-N -1 3 216.281 0.755 20 0 BCADHM CC(C)[C@@H](C(=O)NCCCNC(=O)[O-])N(C)C ZINC000738764583 603600565 /nfs/dbraw/zinc/60/05/65/603600565.db2.gz LDWHNQALHXUBIG-VIFPVBQESA-N -1 3 245.323 0.347 20 0 BCADHM Cc1cnn(CCN2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000740201168 604370076 /nfs/dbraw/zinc/37/00/76/604370076.db2.gz PREJAPXZBLZIJQ-SNVBAGLBSA-N -1 3 238.291 0.533 20 0 BCADHM CC(C)CNCc1cn(CC(=O)[O-])nn1 ZINC000159912856 604469706 /nfs/dbraw/zinc/46/97/06/604469706.db2.gz HPZMRTBQDYVXCJ-UHFFFAOYSA-N -1 3 212.253 0.108 20 0 BCADHM Cc1cc(CNC(C)(C)C(=O)[O-])nn1C ZINC000688116289 604670076 /nfs/dbraw/zinc/67/00/76/604670076.db2.gz LXQLYAIVSSICPP-UHFFFAOYSA-N -1 3 211.265 0.681 20 0 BCADHM Cn1nncc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000394956143 604673650 /nfs/dbraw/zinc/67/36/50/604673650.db2.gz NADYABWBDMHXNX-SNVBAGLBSA-N -1 3 224.264 0.112 20 0 BCADHM O=C([O-])C[C@@H]1CN(C[C@@H]2CCCOC2)CCO1 ZINC000091298782 604778445 /nfs/dbraw/zinc/77/84/45/604778445.db2.gz CUWCRZXNAAOFFM-WDEREUQCSA-N -1 3 243.303 0.589 20 0 BCADHM C[C@H]1C[C@H](O)CN1Cc1ccc(C(=O)[O-])o1 ZINC000385017588 604933590 /nfs/dbraw/zinc/93/35/90/604933590.db2.gz UDCPOKBMXWYXEZ-YUMQZZPRSA-N -1 3 225.244 0.933 20 0 BCADHM C/C(=C/CN1CCN(C)[C@@H](C)C1)C(=O)[O-] ZINC000084003060 604933640 /nfs/dbraw/zinc/93/36/40/604933640.db2.gz WXJGVWOGMHTNJW-FWAPLPHYSA-N -1 3 212.293 0.653 20 0 BCADHM CC(C)NC(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000042163593 604965904 /nfs/dbraw/zinc/96/59/04/604965904.db2.gz UTONXCBEATZZIA-VIFPVBQESA-N -1 3 228.292 0.450 20 0 BCADHM CC(C)NC(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000042163592 604966379 /nfs/dbraw/zinc/96/63/79/604966379.db2.gz UTONXCBEATZZIA-SECBINFHSA-N -1 3 228.292 0.450 20 0 BCADHM COCCN[C@@H](C(=O)[O-])c1cccnc1 ZINC000053260142 604984227 /nfs/dbraw/zinc/98/42/27/604984227.db2.gz ALWSEFCOLFYHEX-SECBINFHSA-N -1 3 210.233 0.443 20 0 BCADHM C[C@@H](O)CCNCc1ccc(C(=O)[O-])o1 ZINC000082993953 605116878 /nfs/dbraw/zinc/11/68/78/605116878.db2.gz MCCPEUQMVCYXKL-SSDOTTSWSA-N -1 3 213.233 0.838 20 0 BCADHM CCCN(C)CC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000739348234 605124578 /nfs/dbraw/zinc/12/45/78/605124578.db2.gz HTWQKOAOISOWHQ-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CCOC(=O)CCN1CC[C@H](NC(=O)[O-])C1 ZINC000739474871 605920957 /nfs/dbraw/zinc/92/09/57/605920957.db2.gz HZCHLLCJRZLWIH-QMMMGPOBSA-N -1 3 230.264 0.282 20 0 BCADHM Cc1nn(C)cc1CNCCN(C)C(=O)[O-] ZINC000833919375 606072203 /nfs/dbraw/zinc/07/22/03/606072203.db2.gz IWYLUOXLLVJEPB-UHFFFAOYSA-N -1 3 226.280 0.428 20 0 BCADHM C[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820628588 606243522 /nfs/dbraw/zinc/24/35/22/606243522.db2.gz ILAWCMYQJZPZCZ-GFCCVEGCSA-N -1 3 245.286 0.828 20 0 BCADHM CC(C)OC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820142693 606228306 /nfs/dbraw/zinc/22/83/06/606228306.db2.gz RKVYSZFWLKEWBN-UHFFFAOYSA-N -1 3 221.220 0.760 20 0 BCADHM CC(C)OC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820142693 606228308 /nfs/dbraw/zinc/22/83/08/606228308.db2.gz RKVYSZFWLKEWBN-UHFFFAOYSA-N -1 3 221.220 0.760 20 0 BCADHM CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819817777 606264573 /nfs/dbraw/zinc/26/45/73/606264573.db2.gz MUDUWOGIZGATLA-UHFFFAOYSA-N -1 3 221.195 0.964 20 0 BCADHM CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819817777 606264575 /nfs/dbraw/zinc/26/45/75/606264575.db2.gz MUDUWOGIZGATLA-UHFFFAOYSA-N -1 3 221.195 0.964 20 0 BCADHM CCOC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000095174939 606336712 /nfs/dbraw/zinc/33/67/12/606336712.db2.gz ZBTAROFQSWEYGH-UHFFFAOYSA-N -1 3 232.243 0.972 20 0 BCADHM CCOC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000095174939 606336711 /nfs/dbraw/zinc/33/67/11/606336711.db2.gz ZBTAROFQSWEYGH-UHFFFAOYSA-N -1 3 232.243 0.972 20 0 BCADHM C[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095245179 606874568 /nfs/dbraw/zinc/87/45/68/606874568.db2.gz WFXNXPBUIDWMDH-ZETCQYMHSA-N -1 3 219.248 0.659 20 0 BCADHM CC(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000095131203 607170093 /nfs/dbraw/zinc/17/00/93/607170093.db2.gz QLWRRVWDWJBWIY-UHFFFAOYSA-N -1 3 236.206 0.974 20 0 BCADHM CC(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000095131203 607170094 /nfs/dbraw/zinc/17/00/94/607170094.db2.gz QLWRRVWDWJBWIY-UHFFFAOYSA-N -1 3 236.206 0.974 20 0 BCADHM C[C@H](CO)COc1cccc(-c2nnn[n-]2)c1 ZINC000824440634 608260060 /nfs/dbraw/zinc/26/00/60/608260060.db2.gz HPAGHGSAAHYBLJ-MRVPVSSYSA-N -1 3 234.259 0.874 20 0 BCADHM C[C@H](CO)COc1cccc(-c2nn[n-]n2)c1 ZINC000824440634 608260062 /nfs/dbraw/zinc/26/00/62/608260062.db2.gz HPAGHGSAAHYBLJ-MRVPVSSYSA-N -1 3 234.259 0.874 20 0 BCADHM CN(CCc1ccncc1)c1cc(=O)[n-]cn1 ZINC000162812468 634561628 /nfs/dbraw/zinc/56/16/28/634561628.db2.gz PJLGQVSACHXAIF-UHFFFAOYSA-N -1 3 230.271 0.844 20 0 BCADHM Cn1ccc(NCCNc2cc(=O)[n-]cn2)n1 ZINC000893535973 634579732 /nfs/dbraw/zinc/57/97/32/634579732.db2.gz RGNSFBRKBNWRAC-UHFFFAOYSA-N -1 3 234.263 0.440 20 0 BCADHM Cc1ccc(CNc2cc(=O)[n-]cn2)c(=O)n1C ZINC000893543035 634610023 /nfs/dbraw/zinc/61/00/23/634610023.db2.gz PICBVSFIWIDXJS-UHFFFAOYSA-N -1 3 246.270 0.801 20 0 BCADHM CNC(=O)CCN(C)c1cc(=O)[n-]c(C)n1 ZINC000234371752 635554530 /nfs/dbraw/zinc/55/45/30/635554530.db2.gz UPRSXMCKSHBVAZ-UHFFFAOYSA-N -1 3 224.264 0.063 20 0 BCADHM NC(=O)CONC(=O)c1cc([O-])ccc1Cl ZINC000236215647 635597517 /nfs/dbraw/zinc/59/75/17/635597517.db2.gz IDALRPVICUBLIS-UHFFFAOYSA-N -1 3 244.634 0.192 20 0 BCADHM CC(=O)[N-]OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000178196114 631411726 /nfs/dbraw/zinc/41/17/26/631411726.db2.gz JTEXYYXCWOOEOW-DTORHVGOSA-N -1 3 228.292 0.844 20 0 BCADHM CONC(=O)c1cc(F)cc2n[n-]nc21 ZINC000788275084 635693510 /nfs/dbraw/zinc/69/35/10/635693510.db2.gz UEUFMQYYNGVFOM-UHFFFAOYSA-N -1 3 210.168 0.388 20 0 BCADHM O=c1cc(N[C@@H](CO)[C@@H]2CCCOC2)nc[n-]1 ZINC000894203171 635747172 /nfs/dbraw/zinc/74/71/72/635747172.db2.gz DEIMYSNDBCIVDH-BDAKNGLRSA-N -1 3 239.275 0.382 20 0 BCADHM O=C1[C@H](Nc2cc(=O)[n-]cn2)C[C@H]2CCCCN12 ZINC000894144582 635715314 /nfs/dbraw/zinc/71/53/14/635715314.db2.gz WDKUXNBSWGVUQH-RKDXNWHRSA-N -1 3 248.286 0.748 20 0 BCADHM O=c1cc(NC[C@H]2CCSC2)nc[n-]1 ZINC000228581878 632482565 /nfs/dbraw/zinc/48/25/65/632482565.db2.gz FGFCWJQVKJLYAL-SSDOTTSWSA-N -1 3 211.290 0.935 20 0 BCADHM CC(C)CO[N-]C(=O)CCCCCNC(N)=O ZINC000153574312 632821295 /nfs/dbraw/zinc/82/12/95/632821295.db2.gz BVZVEDSUIIMJGT-UHFFFAOYSA-N -1 3 245.323 0.919 20 0 BCADHM Cc1nc(N2CC[C@@](C)(C(N)=O)C2)cc(=O)[n-]1 ZINC000235932449 632853597 /nfs/dbraw/zinc/85/35/97/632853597.db2.gz UVGDWUIIDDJACS-LLVKDONJSA-N -1 3 236.275 0.192 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CCOC2)[n-]1 ZINC000162056486 633017023 /nfs/dbraw/zinc/01/70/23/633017023.db2.gz KYOSNPUGQAYIJW-LURJTMIESA-N -1 3 226.236 0.178 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CCOC2)n[n-]1 ZINC000162056486 633017028 /nfs/dbraw/zinc/01/70/28/633017028.db2.gz KYOSNPUGQAYIJW-LURJTMIESA-N -1 3 226.236 0.178 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CCOC2)n1 ZINC000162056486 633017037 /nfs/dbraw/zinc/01/70/37/633017037.db2.gz KYOSNPUGQAYIJW-LURJTMIESA-N -1 3 226.236 0.178 20 0 BCADHM Cc1nc(N2CCC(C)(O)CC2)cc(=O)[n-]1 ZINC000165431000 633092008 /nfs/dbraw/zinc/09/20/08/633092008.db2.gz VQYLAVWTZZWSMD-UHFFFAOYSA-N -1 3 223.276 0.842 20 0 BCADHM CS[C@H](C)CCC(=O)[N-]OCCO ZINC000308315105 633231838 /nfs/dbraw/zinc/23/18/38/633231838.db2.gz WDDSDUOQOZGAKW-SSDOTTSWSA-N -1 3 207.295 0.558 20 0 BCADHM Cn1cc(Cl)c(C[N-]C(=O)C(F)F)n1 ZINC000307392689 635987729 /nfs/dbraw/zinc/98/77/29/635987729.db2.gz ZKYFUFMMODTHCY-UHFFFAOYSA-N -1 3 223.610 0.955 20 0 BCADHM COC(=O)c1cc(C(=O)N=c2[nH][nH]cc2C)c[n-]1 ZINC000340422945 636031703 /nfs/dbraw/zinc/03/17/03/636031703.db2.gz ADCYQZBPJGHINM-UHFFFAOYSA-N -1 3 248.242 0.507 20 0 BCADHM CCN(CC)CC(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000909465364 636080901 /nfs/dbraw/zinc/08/09/01/636080901.db2.gz AATVOFKPFFNYKH-SNVBAGLBSA-N -1 3 242.319 0.698 20 0 BCADHM CO[N-]C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000182047671 633933650 /nfs/dbraw/zinc/93/36/50/633933650.db2.gz SLOSDUWGYNGECW-UHFFFAOYSA-N -1 3 220.228 0.401 20 0 BCADHM Cc1nc(N2CCn3ncnc3C2)cc(=O)[n-]1 ZINC000893239182 633954794 /nfs/dbraw/zinc/95/47/94/633954794.db2.gz QGRAVWSHHDWEGT-UHFFFAOYSA-N -1 3 232.247 0.102 20 0 BCADHM CN1CCC[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000725897964 634094959 /nfs/dbraw/zinc/09/49/59/634094959.db2.gz JFGLNVLNFCSGPT-ZJUUUORDSA-N -1 3 228.292 0.655 20 0 BCADHM CCN(CC)CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000188317684 634139205 /nfs/dbraw/zinc/13/92/05/634139205.db2.gz IZWLHLDVDQLAHG-SNVBAGLBSA-N -1 3 230.308 0.413 20 0 BCADHM Cc1nc(NC[C@H](O)C2CC2)cc(=O)[n-]1 ZINC000162708702 634297358 /nfs/dbraw/zinc/29/73/58/634297358.db2.gz NNEHMXIMYPDWTL-QMMMGPOBSA-N -1 3 209.249 0.673 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C[C@@H](C)CO)C2 ZINC000931314688 634331105 /nfs/dbraw/zinc/33/11/05/634331105.db2.gz FISUKDUPDCMXMQ-SSDOTTSWSA-N -1 3 223.276 0.435 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C[C@H](C)CO)C2 ZINC000931314689 634332957 /nfs/dbraw/zinc/33/29/57/634332957.db2.gz FISUKDUPDCMXMQ-ZETCQYMHSA-N -1 3 223.276 0.435 20 0 BCADHM CO[C@@]1(CNc2cc(=O)[n-]c(C)n2)CCOC1 ZINC000162789359 634364218 /nfs/dbraw/zinc/36/42/18/634364218.db2.gz HALNHYIWYUPIPU-LLVKDONJSA-N -1 3 239.275 0.708 20 0 BCADHM COCCCN(CCO)c1cc(=O)[n-]cn1 ZINC000893376361 634369272 /nfs/dbraw/zinc/36/92/72/634369272.db2.gz JMADWCWCRMJROB-UHFFFAOYSA-N -1 3 227.264 0.017 20 0 BCADHM Cc1nc(N2CCN(C3CC3)CC2)cc(=O)[n-]1 ZINC000162831522 635141241 /nfs/dbraw/zinc/14/12/41/635141241.db2.gz WZBMGRRUCXWFJV-UHFFFAOYSA-N -1 3 234.303 0.775 20 0 BCADHM CNC(=O)[C@@H](Nc1cc(=O)[n-]c(C)n1)C(C)C ZINC000893557028 635157972 /nfs/dbraw/zinc/15/79/72/635157972.db2.gz QUUOTHZCOYCKMK-JTQLQIEISA-N -1 3 238.291 0.673 20 0 BCADHM Cc1nc(NCc2ncn(C)n2)cc(=O)[n-]1 ZINC000235933949 635589422 /nfs/dbraw/zinc/58/94/22/635589422.db2.gz SMRHUUWQEGSBBN-UHFFFAOYSA-N -1 3 220.236 0.231 20 0 BCADHM CCO[N-]C(=O)CNCc1cc(C)ns1 ZINC000877614527 635749579 /nfs/dbraw/zinc/74/95/79/635749579.db2.gz YXZBFSJKTIUTLS-UHFFFAOYSA-N -1 3 229.305 0.609 20 0 BCADHM O=c1cc(NCC[C@]2(O)CCCOC2)nc[n-]1 ZINC000894409915 635891616 /nfs/dbraw/zinc/89/16/16/635891616.db2.gz UVWCDYDOTMTKKM-LLVKDONJSA-N -1 3 239.275 0.526 20 0 BCADHM Cc1nc(N(C)[C@H](C)CCO)cc(=O)[n-]1 ZINC000894407234 635892610 /nfs/dbraw/zinc/89/26/10/635892610.db2.gz SGRNMIMNZSYEQA-SSDOTTSWSA-N -1 3 211.265 0.698 20 0 BCADHM Cc1nc(NC[C@H](O)c2ccnn2C)cc(=O)[n-]1 ZINC000896626916 636207762 /nfs/dbraw/zinc/20/77/62/636207762.db2.gz CUBDGBYTXWRAIE-VIFPVBQESA-N -1 3 249.274 0.370 20 0 BCADHM CN1CCC[C@H]1C(=O)[N-]OCc1ccccn1 ZINC000909538637 636231966 /nfs/dbraw/zinc/23/19/66/636231966.db2.gz RLFKZLLKFSLNOA-NSHDSACASA-N -1 3 235.287 0.724 20 0 BCADHM CC(C)[C@H](C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])N(C)C ZINC000909650551 636372284 /nfs/dbraw/zinc/37/22/84/636372284.db2.gz ILIFRYMSUSBFJZ-LPEHRKFASA-N -1 3 244.335 0.798 20 0 BCADHM CNC(=O)C[C@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000322514438 636868836 /nfs/dbraw/zinc/86/88/36/636868836.db2.gz JURAHAMHDDIRCF-BYPYZUCNSA-N -1 3 244.188 0.528 20 0 BCADHM CCC[C@H](NC(=O)[C@H](CC)N(C)C)C(=O)[O-] ZINC000901487695 637256649 /nfs/dbraw/zinc/25/66/49/637256649.db2.gz AFBKRYQDDQIQGW-IUCAKERBSA-N -1 3 230.308 0.696 20 0 BCADHM CCOC([O-])=NOCCO[C@@H]1CCOC1 ZINC000902754542 637330663 /nfs/dbraw/zinc/33/06/63/637330663.db2.gz ABZRGRVZRKONPW-MRVPVSSYSA-N -1 3 219.237 0.470 20 0 BCADHM CCOC(=O)[N-]OCCO[C@@H]1CCOC1 ZINC000902754542 637330671 /nfs/dbraw/zinc/33/06/71/637330671.db2.gz ABZRGRVZRKONPW-MRVPVSSYSA-N -1 3 219.237 0.470 20 0 BCADHM C[C@H]1COC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000905007081 637543684 /nfs/dbraw/zinc/54/36/84/637543684.db2.gz UCMRLGPCAKMQAN-XPUUQOCRSA-N -1 3 219.248 0.173 20 0 BCADHM C[C@@H](O)CN[C@H](C(=O)[O-])c1ccccc1F ZINC000905373632 637790883 /nfs/dbraw/zinc/79/08/83/637790883.db2.gz ANGWGOJFJACATO-XCBNKYQSSA-N -1 3 227.235 0.922 20 0 BCADHM COC(=O)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000907061367 638296254 /nfs/dbraw/zinc/29/62/54/638296254.db2.gz USZHNXGEVDMASN-UHFFFAOYSA-N -1 3 241.218 0.711 20 0 BCADHM C[C@@H](C(=O)Nc1ccncc1[O-])[C@H]1CCCO1 ZINC000907158871 638313819 /nfs/dbraw/zinc/31/38/19/638313819.db2.gz ZHQZFFJCFLVERG-LDYMZIIASA-N -1 3 236.271 0.963 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907156857 638314478 /nfs/dbraw/zinc/31/44/78/638314478.db2.gz RLJAZNMCGAOZQZ-DIMCTHFVSA-N -1 3 232.239 0.373 20 0 BCADHM CN1C(=O)CCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000907315127 638353141 /nfs/dbraw/zinc/35/31/41/638353141.db2.gz YRPJUEOWXHRMTF-QMMMGPOBSA-N -1 3 249.270 0.737 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907314522 638353413 /nfs/dbraw/zinc/35/34/13/638353413.db2.gz QRFAFYIUGUXTJT-BDODKLCJSA-N -1 3 232.239 0.951 20 0 BCADHM O=C([N-]OCC(F)F)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907382135 638367759 /nfs/dbraw/zinc/36/77/59/638367759.db2.gz SEBZMZAXAFUWFI-VXFFBNABSA-N -1 3 219.187 0.524 20 0 BCADHM CCc1nnc(C(=O)[N-]c2nncn2C)s1 ZINC000907396858 638371960 /nfs/dbraw/zinc/37/19/60/638371960.db2.gz FIMNEMVBDWWFFL-UHFFFAOYSA-N -1 3 238.276 0.481 20 0 BCADHM C/C=C\[C@@H](O)C(=O)Nc1nc(C)ccc1[O-] ZINC000907829882 638480119 /nfs/dbraw/zinc/48/01/19/638480119.db2.gz WQCHKLACLFEGCJ-ZBJFTSOASA-N -1 3 222.244 0.971 20 0 BCADHM O=S(=O)([N-]C1CC(CCO)C1)c1ccco1 ZINC000908057340 638553997 /nfs/dbraw/zinc/55/39/97/638553997.db2.gz RAJYMXHLKOKKCP-UHFFFAOYSA-N -1 3 245.300 0.719 20 0 BCADHM Cc1nc(NC[C@@H](O)C(C)C)cc(=O)[n-]1 ZINC000165332982 638590587 /nfs/dbraw/zinc/59/05/87/638590587.db2.gz WEEKDGYROQPKOD-MRVPVSSYSA-N -1 3 211.265 0.919 20 0 BCADHM CN1C[C@H](O)C[C@@]1(C)C(=O)[N-]OC/C=C/Cl ZINC000908309881 638651966 /nfs/dbraw/zinc/65/19/66/638651966.db2.gz ATXKKMWQOVAZES-ZFZAZDQESA-N -1 3 248.710 0.242 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC000908349415 638659936 /nfs/dbraw/zinc/65/99/36/638659936.db2.gz SEDVQSYEMXYGRL-HOSYDEDBSA-N -1 3 244.335 0.535 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000908328449 638665237 /nfs/dbraw/zinc/66/52/37/638665237.db2.gz IOZJJXCGQPEVTR-INTQDDNPSA-N -1 3 241.287 0.684 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-]C/C=C/Cl)n1 ZINC000908452981 638741166 /nfs/dbraw/zinc/74/11/66/638741166.db2.gz NTQMSPDAOVPQJV-DUXPYHPUSA-N -1 3 235.696 0.451 20 0 BCADHM O=C(CC1(O)CCOCC1)[N-]OC1CCC1 ZINC000908568377 639019368 /nfs/dbraw/zinc/01/93/68/639019368.db2.gz AENYPFMRFPJXNV-UHFFFAOYSA-N -1 3 229.276 0.518 20 0 BCADHM O=C([O-])[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000908598319 639023387 /nfs/dbraw/zinc/02/33/87/639023387.db2.gz TXYMNVKOVDCGFS-MRVPVSSYSA-N -1 3 237.259 0.275 20 0 BCADHM O=C([O-])[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000908662576 639040794 /nfs/dbraw/zinc/04/07/94/639040794.db2.gz ONSOTKYMIDVRJF-SECBINFHSA-N -1 3 237.259 0.418 20 0 BCADHM CC(C)N1CCC[C@@H]1C(=O)NC(C)(C)C(=O)[O-] ZINC000908845654 639080448 /nfs/dbraw/zinc/08/04/48/639080448.db2.gz UNUNAQGABNADPZ-SECBINFHSA-N -1 3 242.319 0.839 20 0 BCADHM CC[C@@H](C(=O)N[C@](C)(CC)C(=O)[O-])N(C)C ZINC000908925508 639100661 /nfs/dbraw/zinc/10/06/61/639100661.db2.gz QDVPMBCSIUGCPA-GZMMTYOYSA-N -1 3 230.308 0.696 20 0 BCADHM CC(C)N(CCC(=O)[O-])C(=O)Cc1c[nH]cn1 ZINC000908961962 639104531 /nfs/dbraw/zinc/10/45/31/639104531.db2.gz RZWAYNIDFALAII-UHFFFAOYSA-N -1 3 239.275 0.664 20 0 BCADHM CCN(CC(=O)[O-])C(=O)CN(C)CC(C)(C)C ZINC000908953369 639109642 /nfs/dbraw/zinc/10/96/42/639109642.db2.gz URSIKEGNVMNEFM-UHFFFAOYSA-N -1 3 244.335 0.897 20 0 BCADHM CC(C)N(C)CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000909991296 639302288 /nfs/dbraw/zinc/30/22/88/639302288.db2.gz SJQQCENXQBAJBG-AOOOYVTPSA-N -1 3 242.319 0.648 20 0 BCADHM CC(C)N(C)CC(=O)N1CC(C)(C(=O)[O-])C1 ZINC000910058157 639355453 /nfs/dbraw/zinc/35/54/53/639355453.db2.gz LAOOQUBHVFYBPL-UHFFFAOYSA-N -1 3 228.292 0.260 20 0 BCADHM Cc1[nH]ncc1CN(C)c1cc(C(=O)[O-])ncn1 ZINC000910378101 639433379 /nfs/dbraw/zinc/43/33/79/639433379.db2.gz GZSXHTZLFUAETD-UHFFFAOYSA-N -1 3 247.258 0.843 20 0 BCADHM O=C([O-])[C@@]1(F)CCN(c2ccnc(CO)c2)C1 ZINC000910457388 639456444 /nfs/dbraw/zinc/45/64/44/639456444.db2.gz VLSVYYNBYUJBRH-LLVKDONJSA-N -1 3 240.234 0.577 20 0 BCADHM Cc1cnc(C[N-]C(=O)C(F)F)nc1 ZINC000910647547 639500922 /nfs/dbraw/zinc/50/09/22/639500922.db2.gz FLSRHCIDXIZODY-UHFFFAOYSA-N -1 3 201.176 0.666 20 0 BCADHM CCCN(CCN(C)C)C(=O)[C@H](CC)C(=O)[O-] ZINC000911427404 639644493 /nfs/dbraw/zinc/64/44/93/639644493.db2.gz NWFWOPYYVOLJOW-JTQLQIEISA-N -1 3 244.335 0.897 20 0 BCADHM O=c1cc(NCCCNc2ncccn2)nc[n-]1 ZINC000911777914 639797702 /nfs/dbraw/zinc/79/77/02/639797702.db2.gz MVETXAIJFFXPCZ-UHFFFAOYSA-N -1 3 246.274 0.886 20 0 BCADHM C[C@H]1CCCCN1NC(=O)c1cc(=O)[n-]cn1 ZINC000912158864 639958706 /nfs/dbraw/zinc/95/87/06/639958706.db2.gz KIBXNKGPGOZSIV-QMMMGPOBSA-N -1 3 236.275 0.701 20 0 BCADHM CC/C(C)=C/C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471139 640086490 /nfs/dbraw/zinc/08/64/90/640086490.db2.gz OHWGPBLHLDXFNF-PCYYEKQGSA-N -1 3 237.303 0.971 20 0 BCADHM CCC/C=C\C(=O)NCCCc1c[n-][nH]c1=O ZINC000912470661 640087103 /nfs/dbraw/zinc/08/71/03/640087103.db2.gz UXGUKWPRYIIMAB-ISGFRBBESA-N -1 3 237.303 0.971 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccnn1C)C2 ZINC000931312294 640145225 /nfs/dbraw/zinc/14/52/25/640145225.db2.gz RBMJYZRLEBGODV-UHFFFAOYSA-N -1 3 245.286 0.740 20 0 BCADHM COCCN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931315427 640151676 /nfs/dbraw/zinc/15/16/76/640151676.db2.gz QNSVPZAOTRDCJX-UHFFFAOYSA-N -1 3 209.249 0.453 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cnn(C)n1)C2 ZINC000931313516 640152448 /nfs/dbraw/zinc/15/24/48/640152448.db2.gz JSHPRJZUATWHJR-UHFFFAOYSA-N -1 3 246.274 0.135 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C[C@H](O)C1CC1)C2 ZINC000931313383 640152717 /nfs/dbraw/zinc/15/27/17/640152717.db2.gz HVINOKZLFGUZPF-NSHDSACASA-N -1 3 235.287 0.577 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1nccn1C)C2 ZINC000931314179 640152731 /nfs/dbraw/zinc/15/27/31/640152731.db2.gz YAKUVCNRKFCCSZ-UHFFFAOYSA-N -1 3 245.286 0.740 20 0 BCADHM CCOC(=O)CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931313754 640153594 /nfs/dbraw/zinc/15/35/94/640153594.db2.gz OJXXZWMMTUHRMQ-UHFFFAOYSA-N -1 3 237.259 0.369 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(CCCCO)C2 ZINC000931319592 640155270 /nfs/dbraw/zinc/15/52/70/640155270.db2.gz XHRCDQUJVQTLNO-UHFFFAOYSA-N -1 3 223.276 0.579 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN([C@H]1CCOC1=O)C2 ZINC000931319563 640156245 /nfs/dbraw/zinc/15/62/45/640156245.db2.gz WYIDZJKTTZWFSV-VIFPVBQESA-N -1 3 235.243 0.122 20 0 BCADHM C/C=C\[C@H](O)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000913294844 640350092 /nfs/dbraw/zinc/35/00/92/640350092.db2.gz PHGMPLARHSUNJH-XOULXFPDSA-N -1 3 249.270 0.270 20 0 BCADHM CC(C)n1nnc([N-]C(=O)c2ccon2)n1 ZINC000913488959 640378209 /nfs/dbraw/zinc/37/82/09/640378209.db2.gz KZDJJCLXOFXYKB-UHFFFAOYSA-N -1 3 222.208 0.494 20 0 BCADHM Cn1nnc(NC([O-])=NOC/C=C\Cl)n1 ZINC000932259260 640459665 /nfs/dbraw/zinc/45/96/65/640459665.db2.gz YIENQGICXAUDHZ-IHWYPQMZSA-N -1 3 232.631 0.016 20 0 BCADHM Cn1nnc(NC(=O)[N-]OC/C=C\Cl)n1 ZINC000932259260 640459668 /nfs/dbraw/zinc/45/96/68/640459668.db2.gz YIENQGICXAUDHZ-IHWYPQMZSA-N -1 3 232.631 0.016 20 0 BCADHM CCCNC(=O)CCNc1cc(=O)[n-]cn1 ZINC000165232992 640550714 /nfs/dbraw/zinc/55/07/14/640550714.db2.gz VDCGWOMZJDZFEL-UHFFFAOYSA-N -1 3 224.264 0.098 20 0 BCADHM C[C@@H]1COC[C@H]1NCc1cc(=O)n2[n-]ccc2n1 ZINC000932489743 640554696 /nfs/dbraw/zinc/55/46/96/640554696.db2.gz SDYHMIICIIJAHR-PSASIEDQSA-N -1 3 248.286 0.147 20 0 BCADHM CC(C)(CNc1cc(=O)[n-]cn1)S(C)(=O)=O ZINC000165302873 640554917 /nfs/dbraw/zinc/55/49/17/640554917.db2.gz HEXUKRWYQVPLDA-UHFFFAOYSA-N -1 3 245.304 0.005 20 0 BCADHM COCC1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000165417806 640576396 /nfs/dbraw/zinc/57/63/96/640576396.db2.gz GQGDCKUKXKQSAZ-UHFFFAOYSA-N -1 3 223.276 0.633 20 0 BCADHM COc1cc[n-]c(=NNC(=O)C2CCC2)n1 ZINC000046363265 640739377 /nfs/dbraw/zinc/73/93/77/640739377.db2.gz WZXFUGNSCQTRAC-UHFFFAOYSA-N -1 3 222.248 0.728 20 0 BCADHM C[C@@H](CCO)[N-]C(=O)C(F)(F)C(F)F ZINC000227613749 640843006 /nfs/dbraw/zinc/84/30/06/640843006.db2.gz GOQSYLPLDPWXEQ-BYPYZUCNSA-N -1 3 217.162 0.774 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000060335517 640855136 /nfs/dbraw/zinc/85/51/36/640855136.db2.gz DALJOTMRQWFIKT-SNVBAGLBSA-N -1 3 240.303 0.703 20 0 BCADHM CS[C@@H](CO)[C@@H](C)Nc1cc(=O)[n-]cn1 ZINC000228324077 640869895 /nfs/dbraw/zinc/86/98/95/640869895.db2.gz YRBVCGOGHPWZFG-RQJHMYQMSA-N -1 3 229.305 0.294 20 0 BCADHM CCOCCCC(=O)Nc1nnc(OCC)[n-]1 ZINC000228790294 640894882 /nfs/dbraw/zinc/89/48/82/640894882.db2.gz CMWODVRUMUSEPF-UHFFFAOYSA-N -1 3 242.279 0.959 20 0 BCADHM CCOCCCC(=O)Nc1n[n-]c(OCC)n1 ZINC000228790294 640894885 /nfs/dbraw/zinc/89/48/85/640894885.db2.gz CMWODVRUMUSEPF-UHFFFAOYSA-N -1 3 242.279 0.959 20 0 BCADHM CCOCCCC(=O)Nc1nc(OCC)n[n-]1 ZINC000228790294 640894890 /nfs/dbraw/zinc/89/48/90/640894890.db2.gz CMWODVRUMUSEPF-UHFFFAOYSA-N -1 3 242.279 0.959 20 0 BCADHM O=C([O-])[C@H]1CCN(CCOCC(F)(F)F)C1 ZINC000062133338 641023582 /nfs/dbraw/zinc/02/35/82/641023582.db2.gz IOSUQEJGRVEJLF-ZETCQYMHSA-N -1 3 241.209 0.972 20 0 BCADHM O=C([N-]C[C@@H](O)C1CC1)C(F)(F)C(F)F ZINC000230142083 641030168 /nfs/dbraw/zinc/03/01/68/641030168.db2.gz UVHPWMSOBDKGTI-RXMQYKEDSA-N -1 3 229.173 0.774 20 0 BCADHM CO[C@@]1(C)CCCN(c2cc(=O)[n-]cn2)C1 ZINC000230300325 641047636 /nfs/dbraw/zinc/04/76/36/641047636.db2.gz QPZXAJWRWHTTOQ-NSHDSACASA-N -1 3 223.276 0.775 20 0 BCADHM CCOc1nnc(NC(=O)C(C)(C)OC)[n-]1 ZINC000230942505 641118313 /nfs/dbraw/zinc/11/83/13/641118313.db2.gz NLXOLMHITNPQOP-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nc(NC(=O)C(C)(C)OC)n[n-]1 ZINC000230942505 641118317 /nfs/dbraw/zinc/11/83/17/641118317.db2.gz NLXOLMHITNPQOP-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)C(C)(C)OC)n1 ZINC000230942505 641118320 /nfs/dbraw/zinc/11/83/20/641118320.db2.gz NLXOLMHITNPQOP-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM CS[C@@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000231553171 641180076 /nfs/dbraw/zinc/18/00/76/641180076.db2.gz JVLDBPZJUFFAJI-RNFRBKRXSA-N -1 3 226.305 0.819 20 0 BCADHM CCN(C)C(=O)[C@@H](C)Nc1cc(=O)[n-]c(C)n1 ZINC000231867996 641210154 /nfs/dbraw/zinc/21/01/54/641210154.db2.gz FYHWLSPTBQJEJP-SSDOTTSWSA-N -1 3 238.291 0.769 20 0 BCADHM O=C([N-]C12CCN(CC1)C2)C(F)(F)C(F)F ZINC000913630996 641434545 /nfs/dbraw/zinc/43/45/45/641434545.db2.gz MJOYPEINZDYYCH-UHFFFAOYSA-N -1 3 240.200 0.851 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1C(=O)[N-]OCCCOC ZINC000935965547 641509036 /nfs/dbraw/zinc/50/90/36/641509036.db2.gz FSJUFKHWCLBZMD-RKDXNWHRSA-N -1 3 245.275 0.270 20 0 BCADHM O=C(/C=C/c1ncc[nH]1)[N-]OC[C@H]1CCOC1 ZINC000493860837 641643083 /nfs/dbraw/zinc/64/30/83/641643083.db2.gz WNAQFDCZZKZGHT-VWCDRPFISA-N -1 3 237.259 0.507 20 0 BCADHM CCc1nnc([N-]C(=O)c2n[nH]nc2C)s1 ZINC000189865090 641823414 /nfs/dbraw/zinc/82/34/14/641823414.db2.gz DKRINMHMZLCVFL-UHFFFAOYSA-N -1 3 238.276 0.779 20 0 BCADHM CCOCCOCCSCCc1nnn[n-]1 ZINC000917867168 642136886 /nfs/dbraw/zinc/13/68/86/642136886.db2.gz VKCZCLWOENNMGY-UHFFFAOYSA-N -1 3 246.336 0.529 20 0 BCADHM CCOCCOCCSCCc1nn[n-]n1 ZINC000917867168 642136888 /nfs/dbraw/zinc/13/68/88/642136888.db2.gz VKCZCLWOENNMGY-UHFFFAOYSA-N -1 3 246.336 0.529 20 0 BCADHM CCN1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001031616558 642389493 /nfs/dbraw/zinc/38/94/93/642389493.db2.gz ZGBCKASFOOFXTQ-UHFFFAOYSA-N -1 3 238.291 0.105 20 0 BCADHM O=C(CCC(F)(F)F)[N-]OCCO ZINC000308217440 642501286 /nfs/dbraw/zinc/50/12/86/642501286.db2.gz JWPQFYVRVFXKCS-UHFFFAOYSA-N -1 3 201.144 0.369 20 0 BCADHM CCO[N-]C(=O)CCCNC(=O)C(C)(C)C ZINC000068119090 642742894 /nfs/dbraw/zinc/74/28/94/642742894.db2.gz CITPBWIWICAPOY-UHFFFAOYSA-N -1 3 230.308 0.997 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1COC[C@@H]1C ZINC000921498535 642926521 /nfs/dbraw/zinc/92/65/21/642926521.db2.gz ILIQRMLPJQRGIN-POYBYMJQSA-N -1 3 246.288 0.296 20 0 BCADHM CCO[N-]C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000181995576 642936464 /nfs/dbraw/zinc/93/64/64/642936464.db2.gz BGNHJSZASWZNII-UHFFFAOYSA-N -1 3 234.255 0.791 20 0 BCADHM CCOCCO[N-]C(=O)CCCCOC ZINC000184786260 643238411 /nfs/dbraw/zinc/23/84/11/643238411.db2.gz WOXYEOLWCJLPHK-UHFFFAOYSA-N -1 3 219.281 0.887 20 0 BCADHM C[C@H]1CN(c2cc(=O)[n-]cn2)CC[C@H]1O ZINC000253629426 643251520 /nfs/dbraw/zinc/25/15/20/643251520.db2.gz PMLSIKUEZSEOGA-JGVFFNPUSA-N -1 3 209.249 0.389 20 0 BCADHM Cn1nnnc1COC(=O)c1ccc([O-])cc1 ZINC000733389238 643340253 /nfs/dbraw/zinc/34/02/53/643340253.db2.gz NQACSUKFTBQICO-UHFFFAOYSA-N -1 3 234.215 0.273 20 0 BCADHM CC[C@H](O)C[N-]C(=O)C(F)(F)C(F)F ZINC000234050277 643356365 /nfs/dbraw/zinc/35/63/65/643356365.db2.gz FVMZZHFYBYXMMQ-BYPYZUCNSA-N -1 3 217.162 0.774 20 0 BCADHM CC(Cl)(Cl)C(=O)[N-]Cc1nnc(N)o1 ZINC000307203076 643422138 /nfs/dbraw/zinc/42/21/38/643422138.db2.gz DRPVRNYOAPITPQ-UHFFFAOYSA-N -1 3 239.062 0.462 20 0 BCADHM C#C[C@H](C)NC(=O)NN=c1ccc(Cl)n[n-]1 ZINC000186114828 643446926 /nfs/dbraw/zinc/44/69/26/643446926.db2.gz NYDXBZIZVQIZGQ-LURJTMIESA-N -1 3 239.666 0.778 20 0 BCADHM O=C([N-]OCc1ccccc1)[C@H]1CCC(=O)NC1 ZINC000048062317 643591714 /nfs/dbraw/zinc/59/17/14/643591714.db2.gz BADWTGQVHBPIGZ-NSHDSACASA-N -1 3 248.282 0.761 20 0 BCADHM Cc1n[nH]cc1C(=O)[N-]NC(=O)C1CC=CC1 ZINC000076995594 643625448 /nfs/dbraw/zinc/62/54/48/643625448.db2.gz RZDYIJYIIVIEOT-UHFFFAOYSA-N -1 3 234.259 0.445 20 0 BCADHM COc1ccc(C(=O)N2CC=C[C@@H]2CO)c([O-])c1 ZINC000922259865 643927024 /nfs/dbraw/zinc/92/70/24/643927024.db2.gz GIPCUPUACVWJTM-SECBINFHSA-N -1 3 249.266 0.774 20 0 BCADHM CCOCCOCCOC(=O)c1cnn[n-]1 ZINC000922731532 644080767 /nfs/dbraw/zinc/08/07/67/644080767.db2.gz PPFWXNBEEPPNDA-UHFFFAOYSA-N -1 3 229.236 0.015 20 0 BCADHM CCOCCOCCOC(=O)c1c[n-]nn1 ZINC000922731532 644080772 /nfs/dbraw/zinc/08/07/72/644080772.db2.gz PPFWXNBEEPPNDA-UHFFFAOYSA-N -1 3 229.236 0.015 20 0 BCADHM CC[C@@H](C)[C@@H](OC(=O)c1cnn[n-]1)C(=O)OC ZINC000922731108 644080787 /nfs/dbraw/zinc/08/07/87/644080787.db2.gz LJHFRCNABKTYKL-HTRCEHHLSA-N -1 3 241.247 0.549 20 0 BCADHM CC[C@@H](C)[C@@H](OC(=O)c1c[n-]nn1)C(=O)OC ZINC000922731108 644080789 /nfs/dbraw/zinc/08/07/89/644080789.db2.gz LJHFRCNABKTYKL-HTRCEHHLSA-N -1 3 241.247 0.549 20 0 BCADHM CCOc1cncc(CNCC(=O)[N-]OC)c1 ZINC000922827846 644104399 /nfs/dbraw/zinc/10/43/99/644104399.db2.gz IMWKMIOJHCIKLP-UHFFFAOYSA-N -1 3 239.275 0.248 20 0 BCADHM CO[N-]C(=O)CNCc1scnc1C1CC1 ZINC000922830430 644114881 /nfs/dbraw/zinc/11/48/81/644114881.db2.gz PTCKKPXVDNTCCR-UHFFFAOYSA-N -1 3 241.316 0.788 20 0 BCADHM CO[N-]C(=O)CNCc1cnn2ccccc12 ZINC000922830330 644115247 /nfs/dbraw/zinc/11/52/47/644115247.db2.gz NTCRGEMOHWCZIM-UHFFFAOYSA-N -1 3 234.259 0.102 20 0 BCADHM Cc1nc(NCC(F)(F)CO)cc(=O)[n-]1 ZINC000228628145 644138892 /nfs/dbraw/zinc/13/88/92/644138892.db2.gz KNYBUWSXLSYPJJ-UHFFFAOYSA-N -1 3 219.191 0.530 20 0 BCADHM CCO[N-]C(=O)CCCNC(=O)C1CC1 ZINC000073898104 644144959 /nfs/dbraw/zinc/14/49/59/644144959.db2.gz DWVIRFIIHWBQFI-UHFFFAOYSA-N -1 3 214.265 0.361 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(C)CC2)n1 ZINC000192535962 644160349 /nfs/dbraw/zinc/16/03/49/644160349.db2.gz NGJGRBATWNECBI-SNVBAGLBSA-N -1 3 236.319 0.799 20 0 BCADHM O=C(Nn1cnc2ccccc21)c1cnn[n-]1 ZINC000193719281 644275357 /nfs/dbraw/zinc/27/53/57/644275357.db2.gz KWFBFBILSPBRDZ-UHFFFAOYSA-N -1 3 228.215 0.538 20 0 BCADHM O=C(Nn1cnc2ccccc21)c1c[n-]nn1 ZINC000193719281 644275363 /nfs/dbraw/zinc/27/53/63/644275363.db2.gz KWFBFBILSPBRDZ-UHFFFAOYSA-N -1 3 228.215 0.538 20 0 BCADHM Cc1ccc(-c2cc(C(=O)OCC(N)=O)n[n-]2)o1 ZINC000194065636 644296910 /nfs/dbraw/zinc/29/69/10/644296910.db2.gz GMAWZHCBXWGCIN-UHFFFAOYSA-N -1 3 249.226 0.620 20 0 BCADHM Cc1ccc(-c2cc(C(=O)OCC(N)=O)[n-]n2)o1 ZINC000194065636 644296915 /nfs/dbraw/zinc/29/69/15/644296915.db2.gz GMAWZHCBXWGCIN-UHFFFAOYSA-N -1 3 249.226 0.620 20 0 BCADHM O=C(NCCn1cccc1)NN=c1cccn[n-]1 ZINC000084456808 644425574 /nfs/dbraw/zinc/42/55/74/644425574.db2.gz QEPXFZROMLVRSW-UHFFFAOYSA-N -1 3 246.274 0.604 20 0 BCADHM COC(=O)[C@@H](C)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923528108 644484839 /nfs/dbraw/zinc/48/48/39/644484839.db2.gz ALFDMAZFNPWHQK-FKTZTGRPSA-N -1 3 241.287 0.591 20 0 BCADHM CC(=O)N1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC000953762478 644496872 /nfs/dbraw/zinc/49/68/72/644496872.db2.gz COPWWKDWIJOSGD-UHFFFAOYSA-N -1 3 248.282 0.695 20 0 BCADHM C[C@H](Cc1ccco1)NC(=O)c1cn[n-]n1 ZINC000088342187 644518698 /nfs/dbraw/zinc/51/86/98/644518698.db2.gz BOCMFKVHVWDJGA-SSDOTTSWSA-N -1 3 220.232 0.759 20 0 BCADHM CC(C)C[C@H](C)OCCC(=O)[N-]OCC(N)=O ZINC000089464761 644552571 /nfs/dbraw/zinc/55/25/71/644552571.db2.gz YQOOIOYFOLPAPY-VIFPVBQESA-N -1 3 246.307 0.361 20 0 BCADHM CC(C)C[C@@H](C)OCCC(=O)[N-]OCC(N)=O ZINC000089464755 644553317 /nfs/dbraw/zinc/55/33/17/644553317.db2.gz YQOOIOYFOLPAPY-SECBINFHSA-N -1 3 246.307 0.361 20 0 BCADHM COCCC1(C(=O)[N-]OCC(N)=O)CCCC1 ZINC000089464670 644553766 /nfs/dbraw/zinc/55/37/66/644553766.db2.gz HSIDZPJJTHTFKG-UHFFFAOYSA-N -1 3 244.291 0.116 20 0 BCADHM NC(=O)CO[N-]C(=O)c1c(F)cccc1F ZINC000089508866 644556321 /nfs/dbraw/zinc/55/63/21/644556321.db2.gz WIKZMWBDUHPFHC-UHFFFAOYSA-N -1 3 230.170 0.112 20 0 BCADHM CO[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000089937085 644573363 /nfs/dbraw/zinc/57/33/63/644573363.db2.gz FXHKHLDPIPGNEH-ZETCQYMHSA-N -1 3 204.295 0.101 20 0 BCADHM O=C(C[C@H]1CCCO1)[N-]OCC(F)F ZINC000759338046 644640839 /nfs/dbraw/zinc/64/08/39/644640839.db2.gz OXXQONRQLXXRLH-ZCFIWIBFSA-N -1 3 209.192 0.868 20 0 BCADHM O=C(O[C@H]1CCCNC1=O)c1cncc([O-])c1 ZINC000767344835 644674361 /nfs/dbraw/zinc/67/43/61/644674361.db2.gz GWBTVICDAZUYIS-VIFPVBQESA-N -1 3 236.227 0.223 20 0 BCADHM C[C@@H]([N-]C(=O)C(F)F)c1cnccn1 ZINC000844554883 645336532 /nfs/dbraw/zinc/33/65/32/645336532.db2.gz WHRKYCDVTJTCOF-RXMQYKEDSA-N -1 3 201.176 0.919 20 0 BCADHM CCO[N-]C(=O)CN[C@H](C)c1ccccn1 ZINC000846093289 645403354 /nfs/dbraw/zinc/40/33/54/645403354.db2.gz OGVITBQNRMRYJG-SECBINFHSA-N -1 3 223.276 0.800 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)C1(F)CC1 ZINC000847028164 645420589 /nfs/dbraw/zinc/42/05/89/645420589.db2.gz RFVAEQKPFFHDDN-UHFFFAOYSA-N -1 3 227.195 0.637 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)C1(F)CC1 ZINC000847028164 645420595 /nfs/dbraw/zinc/42/05/95/645420595.db2.gz RFVAEQKPFFHDDN-UHFFFAOYSA-N -1 3 227.195 0.637 20 0 BCADHM O=c1[n-]c(=O)n(CCOC(F)F)cc1Cl ZINC000853017082 645490326 /nfs/dbraw/zinc/49/03/26/645490326.db2.gz BUZKKBCZJCSXEQ-UHFFFAOYSA-N -1 3 240.593 0.842 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)C1(C)CCOCC1 ZINC000857287317 645544537 /nfs/dbraw/zinc/54/45/37/645544537.db2.gz OCPUGSNPAISQKP-JTQLQIEISA-N -1 3 245.319 0.868 20 0 BCADHM CC[C@@H](O)CC(=O)[N-]OCC(F)(F)F ZINC000857472264 645570407 /nfs/dbraw/zinc/57/04/07/645570407.db2.gz RHQDACANCOSLQP-RXMQYKEDSA-N -1 3 215.171 0.758 20 0 BCADHM Cc1nonc1CC(=O)Nc1ncccc1[O-] ZINC000857486676 645577445 /nfs/dbraw/zinc/57/74/45/645577445.db2.gz POZMGVMZQMLLOB-UHFFFAOYSA-N -1 3 234.215 0.660 20 0 BCADHM O=C(CC1(O)CCC1)[N-]OC1CCOCC1 ZINC000857488777 645577531 /nfs/dbraw/zinc/57/75/31/645577531.db2.gz MXTUBOCKGMSQNP-UHFFFAOYSA-N -1 3 229.276 0.518 20 0 BCADHM CC(C)O[N-]C(=O)[C@@H]1CCc2nncn2C1 ZINC000857523116 645593339 /nfs/dbraw/zinc/59/33/39/645593339.db2.gz XLGGOXJTFMIVBP-MRVPVSSYSA-N -1 3 224.264 0.297 20 0 BCADHM CCON(C(=O)c1cc(=O)[n-]cn1)C(C)C ZINC000862102358 645693894 /nfs/dbraw/zinc/69/38/94/645693894.db2.gz IEAIDWQTUQLWDH-UHFFFAOYSA-N -1 3 225.248 0.984 20 0 BCADHM CN(CC(=O)[N-]OC1CCOCC1)C1CCC1 ZINC000863905328 645708218 /nfs/dbraw/zinc/70/82/18/645708218.db2.gz HMYQTZXRDVRWOM-UHFFFAOYSA-N -1 3 242.319 0.698 20 0 BCADHM CN(CC(=O)[N-]OCC(F)F)C1CCC1 ZINC000863905745 645709153 /nfs/dbraw/zinc/70/91/53/645709153.db2.gz OJCLWSLMUVOJCV-UHFFFAOYSA-N -1 3 222.235 0.784 20 0 BCADHM O=C(N=S1(=O)CCCC1)c1cc(=O)[n-]cn1 ZINC000925944175 646547639 /nfs/dbraw/zinc/54/76/39/646547639.db2.gz MUELTIUMLWMYRY-UHFFFAOYSA-N -1 3 241.272 0.584 20 0 BCADHM CN(CCN1CCCC1)c1nc(C(=O)[O-])co1 ZINC000228312347 711834265 /nfs/dbraw/zinc/83/42/65/711834265.db2.gz CYSJDCSOZBSJHU-UHFFFAOYSA-N -1 3 239.275 0.905 20 0 BCADHM Cc1ccc(F)c(NC(=O)[N-]OCC(N)=O)c1 ZINC000180605501 711888972 /nfs/dbraw/zinc/88/89/72/711888972.db2.gz XIFTZIRXEWFJKZ-UHFFFAOYSA-N -1 3 241.222 0.673 20 0 BCADHM CC[C@H](C)NC(=O)[C@H](C)O[N-]C(C)=O ZINC000180806908 711890238 /nfs/dbraw/zinc/89/02/38/711890238.db2.gz CWRAGRMXRZXXPD-BQBZGAKWSA-N -1 3 202.254 0.357 20 0 BCADHM CCOc1nnc(NC(=O)c2ccsn2)[n-]1 ZINC000705431175 712131316 /nfs/dbraw/zinc/13/13/16/712131316.db2.gz RCJWOFVNCUEZND-UHFFFAOYSA-N -1 3 239.260 0.912 20 0 BCADHM CCOc1nc(NC(=O)c2ccsn2)n[n-]1 ZINC000705431175 712131317 /nfs/dbraw/zinc/13/13/17/712131317.db2.gz RCJWOFVNCUEZND-UHFFFAOYSA-N -1 3 239.260 0.912 20 0 BCADHM CCOc1n[n-]c(NC(=O)c2ccsn2)n1 ZINC000705431175 712131318 /nfs/dbraw/zinc/13/13/18/712131318.db2.gz RCJWOFVNCUEZND-UHFFFAOYSA-N -1 3 239.260 0.912 20 0 BCADHM Cc1noc(CCC(=O)[N-]OC2CCC2)n1 ZINC000812787835 712586645 /nfs/dbraw/zinc/58/66/45/712586645.db2.gz JIVQNUGJKPOMDQ-UHFFFAOYSA-N -1 3 225.248 0.911 20 0 BCADHM C[S@@](=O)C1(CNc2cc(=O)[n-]cn2)CC1 ZINC000380068723 712685059 /nfs/dbraw/zinc/68/50/59/712685059.db2.gz JZSREIZMXRAAAY-OAHLLOKOSA-N -1 3 227.289 0.505 20 0 BCADHM CC(C)(O)[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000721803467 710685262 /nfs/dbraw/zinc/68/52/62/710685262.db2.gz IMTHMCIFBJPIAO-QMMMGPOBSA-N -1 3 223.276 0.779 20 0 BCADHM CO[C@@H]1CCOC[C@H]1Nc1cc(=O)[n-]c(C)n1 ZINC000724898735 710749373 /nfs/dbraw/zinc/74/93/73/710749373.db2.gz QHJRXOMOLDTXHW-RKDXNWHRSA-N -1 3 239.275 0.706 20 0 BCADHM CCN1C[C@H](Nc2cc(=O)[n-]cn2)CC1=O ZINC000391531328 711138423 /nfs/dbraw/zinc/13/84/23/711138423.db2.gz IHEGUOGFAKOPQF-SSDOTTSWSA-N -1 3 222.248 0.215 20 0 BCADHM COc1ccsc1CN=c1[n-]ncn1C ZINC000393656240 711167628 /nfs/dbraw/zinc/16/76/28/711167628.db2.gz UHHXHKKRSKXINB-UHFFFAOYSA-N -1 3 224.289 0.919 20 0 BCADHM O=C([O-])[C@@H]1CN(CCCC2CC2)CCO1 ZINC000394485509 711193562 /nfs/dbraw/zinc/19/35/62/711193562.db2.gz AEUNGZGKCZMODC-JTQLQIEISA-N -1 3 213.277 0.962 20 0 BCADHM C[C@@H]1C[C@@H](CO)CN(c2cc(=O)[n-]cn2)C1 ZINC000398631176 711413500 /nfs/dbraw/zinc/41/35/00/711413500.db2.gz PFFWWFJMVFGDGS-RKDXNWHRSA-N -1 3 223.276 0.637 20 0 BCADHM Cc1ccc([O-])c(CNCc2cnn(C)n2)n1 ZINC000389837699 711090859 /nfs/dbraw/zinc/09/08/59/711090859.db2.gz RASNLQIDQWPOGU-UHFFFAOYSA-N -1 3 233.275 0.514 20 0 BCADHM CC(C)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001038183545 711474554 /nfs/dbraw/zinc/47/45/54/711474554.db2.gz KIYYEBYQNIKARG-SNVBAGLBSA-N -1 3 249.314 1.000 20 0 BCADHM Cc1nc(N(C)Cc2cnccn2)cc(=O)[n-]1 ZINC000892595561 711678114 /nfs/dbraw/zinc/67/81/14/711678114.db2.gz VTZGCPFKFMYXPX-UHFFFAOYSA-N -1 3 231.259 0.917 20 0 BCADHM COC(=O)[C@H]1CCN(c2cc(=O)[n-]cn2)[C@@H]1C ZINC000893420004 711721530 /nfs/dbraw/zinc/72/15/30/711721530.db2.gz INSXZERAFIIONC-SFYZADRCSA-N -1 3 237.259 0.570 20 0 BCADHM Cc1nc(N2C[C@@H](O)CC(F)(F)C2)cc(=O)[n-]1 ZINC000893420443 711722290 /nfs/dbraw/zinc/72/22/90/711722290.db2.gz IPARVYKSACZZBD-ZETCQYMHSA-N -1 3 245.229 0.697 20 0 BCADHM CCN1CCCN(c2cc(=O)[n-]cn2)CC1=O ZINC000893419598 711722312 /nfs/dbraw/zinc/72/23/12/711722312.db2.gz FVEONVIATQXGAS-UHFFFAOYSA-N -1 3 236.275 0.241 20 0 BCADHM COc1ncccc1S(=O)(=O)[N-]CCF ZINC000907167078 711815217 /nfs/dbraw/zinc/81/52/17/711815217.db2.gz AYPUDCSLRBZBBR-UHFFFAOYSA-N -1 3 234.252 0.338 20 0 BCADHM CN(c1nc(C(=O)[O-])co1)[C@H]1CCCN(C)C1 ZINC000228310555 711834408 /nfs/dbraw/zinc/83/44/08/711834408.db2.gz POWCUZGROVNGCO-QMMMGPOBSA-N -1 3 239.275 0.903 20 0 BCADHM CCN(CC)C(=O)[C@@H](C)O[N-]C(C)=O ZINC000180807446 711890154 /nfs/dbraw/zinc/89/01/54/711890154.db2.gz ZMNURZYFZMTCRP-SSDOTTSWSA-N -1 3 202.254 0.311 20 0 BCADHM CN(C[C@@H]1CCC[C@@H]1O)c1cc(=O)[n-]cn1 ZINC000708354146 712190296 /nfs/dbraw/zinc/19/02/96/712190296.db2.gz IYLMWDFWWXITMM-IUCAKERBSA-N -1 3 223.276 0.779 20 0 BCADHM CN(C[C@H](O)C1CC1)c1cc(=O)[n-]cn1 ZINC000708506711 712212173 /nfs/dbraw/zinc/21/21/73/712212173.db2.gz RZZLARRRPOXZLH-QMMMGPOBSA-N -1 3 209.249 0.389 20 0 BCADHM CN1CC[C@@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC000712283048 712393933 /nfs/dbraw/zinc/39/39/33/712393933.db2.gz ISXIFFAIYYPLMR-SECBINFHSA-N -1 3 238.262 0.965 20 0 BCADHM CCO[N-]C(=O)C[C@@H](C)CC(=O)OC ZINC000809560702 712584280 /nfs/dbraw/zinc/58/42/80/712584280.db2.gz PYRGENAMWMZYAT-SSDOTTSWSA-N -1 3 203.238 0.643 20 0 BCADHM C[C@@H](CN(C)c1cnc(F)cn1)c1nnn[n-]1 ZINC000853476493 712613581 /nfs/dbraw/zinc/61/35/81/712613581.db2.gz CRTXDOCRYPDOPB-LURJTMIESA-N -1 3 237.242 0.369 20 0 BCADHM C[C@@H](CN(C)c1cnc(F)cn1)c1nn[n-]n1 ZINC000853476493 712613582 /nfs/dbraw/zinc/61/35/82/712613582.db2.gz CRTXDOCRYPDOPB-LURJTMIESA-N -1 3 237.242 0.369 20 0 BCADHM COc1nnc(NC(=O)[C@H]2C[C@@H](C)CO2)[n-]1 ZINC000718487877 712765630 /nfs/dbraw/zinc/76/56/30/712765630.db2.gz RRGMETMZUCXYJA-PHDIDXHHSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@H]2C[C@@H](C)CO2)n[n-]1 ZINC000718487877 712765632 /nfs/dbraw/zinc/76/56/32/712765632.db2.gz RRGMETMZUCXYJA-PHDIDXHHSA-N -1 3 226.236 0.177 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2C[C@@H](C)CO2)n1 ZINC000718487877 712765633 /nfs/dbraw/zinc/76/56/33/712765633.db2.gz RRGMETMZUCXYJA-PHDIDXHHSA-N -1 3 226.236 0.177 20 0 BCADHM C[C@@H](C(=O)NC(C)(C)C)N(C)CCC(=O)[O-] ZINC000037933121 712788257 /nfs/dbraw/zinc/78/82/57/712788257.db2.gz WKEJFYGTXZAHDC-QMMMGPOBSA-N -1 3 230.308 0.696 20 0 BCADHM CC[C@H](O)CCNC(=O)c1cccc2nn[n-]c21 ZINC000188493532 346816969 /nfs/dbraw/zinc/81/69/69/346816969.db2.gz XLFDCUPTOMZZFA-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@H](O)CCNC(=O)c1cccc2[n-]nnc21 ZINC000188493532 346816971 /nfs/dbraw/zinc/81/69/71/346816971.db2.gz XLFDCUPTOMZZFA-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@H](O)CCNC(=O)c1cccc2n[n-]nc21 ZINC000188493532 346816972 /nfs/dbraw/zinc/81/69/72/346816972.db2.gz XLFDCUPTOMZZFA-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM C[C@@H]1COCC[C@H]1C(=O)Nc1ccncc1[O-] ZINC000408438186 398170183 /nfs/dbraw/zinc/17/01/83/398170183.db2.gz GHVXPECAHNQLGT-RKDXNWHRSA-N -1 3 236.271 0.820 20 0 BCADHM O=S(=O)([N-]CCCCF)c1c[nH]cn1 ZINC000336686720 398188567 /nfs/dbraw/zinc/18/85/67/398188567.db2.gz LYPDGTAQHYHWDE-UHFFFAOYSA-N -1 3 221.257 0.438 20 0 BCADHM C[C@H](Cn1cncn1)Nc1ccncc1C(=O)[O-] ZINC000649387490 398193700 /nfs/dbraw/zinc/19/37/00/398193700.db2.gz KDTRPTAPNWITDW-MRVPVSSYSA-N -1 3 247.258 0.294 20 0 BCADHM Cc1ccc([O-])c(CNCc2cn[nH]n2)n1 ZINC000398294519 398195145 /nfs/dbraw/zinc/19/51/45/398195145.db2.gz IKRYOAGHYGQJBU-UHFFFAOYSA-N -1 3 219.248 0.504 20 0 BCADHM Cn1cnc([N-]C(=O)c2cn(C3CCC3)nn2)n1 ZINC000648401633 398201713 /nfs/dbraw/zinc/20/17/13/398201713.db2.gz VZCYWJGOFZIVBC-UHFFFAOYSA-N -1 3 247.262 0.384 20 0 BCADHM CCn1nccc1CNC1(C(=O)[O-])CC1 ZINC000417526806 398231699 /nfs/dbraw/zinc/23/16/99/398231699.db2.gz COCXXHTYEKCIOQ-UHFFFAOYSA-N -1 3 209.249 0.610 20 0 BCADHM CCn1cc(CNC(=O)c2cc(=O)[n-]cn2)cn1 ZINC000625629463 398233258 /nfs/dbraw/zinc/23/32/58/398233258.db2.gz GOWKHISBJZMZKQ-UHFFFAOYSA-N -1 3 247.258 0.329 20 0 BCADHM CC(C)[C@@H](O)C(=O)[N-]C1=NCCS1 ZINC000285166919 398246932 /nfs/dbraw/zinc/24/69/32/398246932.db2.gz SYCHLQNFLFLLPJ-ZCFIWIBFSA-N -1 3 202.279 0.222 20 0 BCADHM C[C@H](F)CC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000576633199 365644001 /nfs/dbraw/zinc/64/40/01/365644001.db2.gz DKEGBNKCFADVMH-ZETCQYMHSA-N -1 3 235.284 0.447 20 0 BCADHM C[C@H]1CCN(CCNC(=O)C(C)(C)C(=O)[O-])C1 ZINC000649453833 398256506 /nfs/dbraw/zinc/25/65/06/398256506.db2.gz JSPCATUQIPWJKU-VIFPVBQESA-N -1 3 242.319 0.555 20 0 BCADHM CC(C)[C@@H](C(=O)[O-])C(=O)NCCN1CCCC1 ZINC000649461080 398262394 /nfs/dbraw/zinc/26/23/94/398262394.db2.gz ADNLNVRLJOMZFM-SNVBAGLBSA-N -1 3 242.319 0.555 20 0 BCADHM C[C@H](C(=O)NCCCc1nc(=O)[n-][nH]1)C1CC1 ZINC000176272710 538950047 /nfs/dbraw/zinc/95/00/47/538950047.db2.gz UICWUIOGCHGZBX-ZETCQYMHSA-N -1 3 238.291 0.193 20 0 BCADHM Cc1ccc(C(=O)N(C)CCC(N)=O)c([O-])c1 ZINC000286237438 178377037 /nfs/dbraw/zinc/37/70/37/178377037.db2.gz OSPRBSCLYLAUGH-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM Cc1ccc(C(=O)N2CC(CO)C2)c([O-])c1 ZINC000084986224 178383707 /nfs/dbraw/zinc/38/37/07/178383707.db2.gz JLFXOSSESNTQMG-UHFFFAOYSA-N -1 3 221.256 0.765 20 0 BCADHM Cc1ncc(CNC(=O)C2CCC2)c(=O)[n-]1 ZINC000345110736 398275560 /nfs/dbraw/zinc/27/55/60/398275560.db2.gz ONCCHBCAFCTTBQ-UHFFFAOYSA-N -1 3 221.260 0.907 20 0 BCADHM C[C@@H](CO)CNC(=O)c1cccc2nn[n-]c21 ZINC000182804283 538964827 /nfs/dbraw/zinc/96/48/27/538964827.db2.gz SWBDVOGUXXYBNT-SSDOTTSWSA-N -1 3 234.259 0.316 20 0 BCADHM C[C@@H](CO)CNC(=O)c1cccc2[n-]nnc21 ZINC000182804283 538964828 /nfs/dbraw/zinc/96/48/28/538964828.db2.gz SWBDVOGUXXYBNT-SSDOTTSWSA-N -1 3 234.259 0.316 20 0 BCADHM C[C@@H](CO)CNC(=O)c1cccc2n[n-]nc21 ZINC000182804283 538964829 /nfs/dbraw/zinc/96/48/29/538964829.db2.gz SWBDVOGUXXYBNT-SSDOTTSWSA-N -1 3 234.259 0.316 20 0 BCADHM CCCCCC(=O)Nc1[n-]nnc1C(N)=O ZINC000005501648 342764869 /nfs/dbraw/zinc/76/48/69/342764869.db2.gz SLQCBDHMHFUPBP-UHFFFAOYSA-N -1 3 225.252 0.422 20 0 BCADHM CCCCCC(=O)Nc1nn[n-]c1C(N)=O ZINC000005501648 342764871 /nfs/dbraw/zinc/76/48/71/342764871.db2.gz SLQCBDHMHFUPBP-UHFFFAOYSA-N -1 3 225.252 0.422 20 0 BCADHM CCCCCC(=O)Nc1n[n-]nc1C(N)=O ZINC000005501648 342764872 /nfs/dbraw/zinc/76/48/72/342764872.db2.gz SLQCBDHMHFUPBP-UHFFFAOYSA-N -1 3 225.252 0.422 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CCN(C2CC2)CC1 ZINC000624720055 342821825 /nfs/dbraw/zinc/82/18/25/342821825.db2.gz RVKJSZORFQBFCJ-UHFFFAOYSA-N -1 3 248.286 0.102 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCCNC1=O ZINC000624925837 342838133 /nfs/dbraw/zinc/83/81/33/342838133.db2.gz UEVDOJIEQIMKPA-VIFPVBQESA-N -1 3 248.282 0.709 20 0 BCADHM C[C@@H]1C[C@H]1c1noc([C@@H]2CCS(=O)(=O)[N-]2)n1 ZINC000650563140 398298295 /nfs/dbraw/zinc/29/82/95/398298295.db2.gz MWAUWQMIGIYJMS-QYNIQEEDSA-N -1 3 243.288 0.557 20 0 BCADHM C[C@@H]1C[C@@H]1c1noc([C@H]2CCS(=O)(=O)[N-]2)n1 ZINC000650563138 398298331 /nfs/dbraw/zinc/29/83/31/398298331.db2.gz MWAUWQMIGIYJMS-DSYKOEDSSA-N -1 3 243.288 0.557 20 0 BCADHM Cn1nccc1CNC(=O)Cc1cncc([O-])c1 ZINC000580296513 346868314 /nfs/dbraw/zinc/86/83/14/346868314.db2.gz YHCRZDYTJZYKFM-UHFFFAOYSA-N -1 3 246.270 0.380 20 0 BCADHM C[C@@H](CCO)N(C)C(=O)c1cc(=O)[n-]cn1 ZINC000628009692 342869527 /nfs/dbraw/zinc/86/95/27/342869527.db2.gz WNEIORKZHHGMGX-ZETCQYMHSA-N -1 3 225.248 0.025 20 0 BCADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000627994746 342857075 /nfs/dbraw/zinc/85/70/75/342857075.db2.gz QBDDHCKNWLWNEO-DTORHVGOSA-N -1 3 248.282 0.694 20 0 BCADHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)CCCO1 ZINC000625156166 342895845 /nfs/dbraw/zinc/89/58/45/342895845.db2.gz SWSFESONQXZZAP-MRVPVSSYSA-N -1 3 237.259 0.433 20 0 BCADHM C[C@H](CO)[N-]S(=O)(=O)c1ccccc1F ZINC000035611245 342890607 /nfs/dbraw/zinc/89/06/07/342890607.db2.gz ILDQQBZJKXPUQE-SSDOTTSWSA-N -1 3 233.264 0.485 20 0 BCADHM C[C@@H](O)CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000352609698 398321983 /nfs/dbraw/zinc/32/19/83/398321983.db2.gz JTEQRIZPELGPJS-MRVPVSSYSA-N -1 3 246.270 0.582 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CCOC[C@@H]2C)[n-]1 ZINC000192842976 398324185 /nfs/dbraw/zinc/32/41/85/398324185.db2.gz PEFBSPLJSPGVQO-NKWVEPMBSA-N -1 3 240.263 0.424 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CCOC[C@@H]2C)n[n-]1 ZINC000192842976 398324186 /nfs/dbraw/zinc/32/41/86/398324186.db2.gz PEFBSPLJSPGVQO-NKWVEPMBSA-N -1 3 240.263 0.424 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CCOC[C@@H]2C)n1 ZINC000192842976 398324189 /nfs/dbraw/zinc/32/41/89/398324189.db2.gz PEFBSPLJSPGVQO-NKWVEPMBSA-N -1 3 240.263 0.424 20 0 BCADHM CC[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000234038010 342916995 /nfs/dbraw/zinc/91/69/95/342916995.db2.gz VXYJXKTVXMJXQQ-CIUDSAMLSA-N -1 3 228.292 0.435 20 0 BCADHM C[C@H]1CC[C@@H](N(CCO)Cc2n[nH]c(=O)[n-]2)C1 ZINC000351651281 136249300 /nfs/dbraw/zinc/24/93/00/136249300.db2.gz QRZBICDREMEOCQ-DTWKUNHWSA-N -1 3 240.307 0.493 20 0 BCADHM CN(CC(C)(C)O)c1ccncc1C(=O)[O-] ZINC000088109968 259331420 /nfs/dbraw/zinc/33/14/20/259331420.db2.gz KHZJRLKWQYSTCA-UHFFFAOYSA-N -1 3 224.260 0.987 20 0 BCADHM Cc1c(-c2cnccn2)[n-]n(CCN(C)C)c1=O ZINC000634589974 342936992 /nfs/dbraw/zinc/93/69/92/342936992.db2.gz NRAHIZKULCVFJM-VIFPVBQESA-N -1 3 247.302 0.221 20 0 BCADHM COC(=O)CNC(=O)c1cccc(OC)c1[O-] ZINC000019837666 342959004 /nfs/dbraw/zinc/95/90/04/342959004.db2.gz FQSVSDSRLJVQOQ-UHFFFAOYSA-N -1 3 239.227 0.304 20 0 BCADHM O=C(c1cccc([O-])c1)N1CCC(O)CC1 ZINC000019839443 342959549 /nfs/dbraw/zinc/95/95/49/342959549.db2.gz PPPCSTWHPNHJSY-UHFFFAOYSA-N -1 3 221.256 0.989 20 0 BCADHM CCn1ccnc1/C=C\C(=O)[N-]OCCCO ZINC000493492791 529559472 /nfs/dbraw/zinc/55/94/72/529559472.db2.gz RVHJTAPUYPBOFQ-PLNGDYQASA-N -1 3 239.275 0.346 20 0 BCADHM CC1(C)CC(=O)[N-]N(c2ncncc2F)C1=O ZINC000634607509 343005405 /nfs/dbraw/zinc/00/54/05/343005405.db2.gz ZRKRIZXKLULXOU-UHFFFAOYSA-N -1 3 238.222 0.410 20 0 BCADHM CC[C@@H](O)Cn1[n-]c(=O)c2ccccc2c1=O ZINC000634629115 343036589 /nfs/dbraw/zinc/03/65/89/343036589.db2.gz NHRFIABFEFJKFB-MRVPVSSYSA-N -1 3 234.255 0.873 20 0 BCADHM CCC(=O)c1cn(Cc2cc(=O)c([O-])co2)nn1 ZINC000640828974 362061797 /nfs/dbraw/zinc/06/17/97/362061797.db2.gz JQLJYBANBXBYGC-UHFFFAOYSA-N -1 3 249.226 0.578 20 0 BCADHM Cc1nn(C)c(C)c1CCNC(=O)c1c[n-]nn1 ZINC000169932927 136269968 /nfs/dbraw/zinc/26/99/68/136269968.db2.gz MCTFRQNRCTYDRX-UHFFFAOYSA-N -1 3 248.290 0.128 20 0 BCADHM Cc1nn(C)c(C)c1CCNC(=O)c1cnn[n-]1 ZINC000169932927 136269969 /nfs/dbraw/zinc/26/99/69/136269969.db2.gz MCTFRQNRCTYDRX-UHFFFAOYSA-N -1 3 248.290 0.128 20 0 BCADHM Cc1nn(C)c(C)c1CCNC(=O)c1cn[n-]n1 ZINC000169932927 136269970 /nfs/dbraw/zinc/26/99/70/136269970.db2.gz MCTFRQNRCTYDRX-UHFFFAOYSA-N -1 3 248.290 0.128 20 0 BCADHM CC[C@H](C)CNC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000421580121 192356828 /nfs/dbraw/zinc/35/68/28/192356828.db2.gz MOKIDXLUKJUBSP-ZETCQYMHSA-N -1 3 239.275 0.262 20 0 BCADHM CC[C@H](C)CN1CCO[C@H](C(=O)[O-])C1 ZINC000050427047 343152881 /nfs/dbraw/zinc/15/28/81/343152881.db2.gz JADCWRBMLJRNNC-IUCAKERBSA-N -1 3 201.266 0.818 20 0 BCADHM O=C([O-])c1cnccc1N1CC[C@H](CCO)C1 ZINC000123496185 343162105 /nfs/dbraw/zinc/16/21/05/343162105.db2.gz OMHZYRGMFXTMMY-SECBINFHSA-N -1 3 236.271 0.989 20 0 BCADHM O=C([O-])c1cnccc1NC[C@@H]1COCCO1 ZINC000125983743 343168356 /nfs/dbraw/zinc/16/83/56/343168356.db2.gz PCJFHKNRPMOZLZ-MRVPVSSYSA-N -1 3 238.243 0.607 20 0 BCADHM O=C([O-])c1cnccc1NC[C@H]1COCCO1 ZINC000125983971 343168374 /nfs/dbraw/zinc/16/83/74/343168374.db2.gz PCJFHKNRPMOZLZ-QMMMGPOBSA-N -1 3 238.243 0.607 20 0 BCADHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)C1(CO)CC1 ZINC000628064236 343213091 /nfs/dbraw/zinc/21/30/91/343213091.db2.gz ACPKRBBHDUKDOJ-ZETCQYMHSA-N -1 3 237.259 0.073 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000069948080 136278322 /nfs/dbraw/zinc/27/83/22/136278322.db2.gz LEOJXPPWLYXOEK-LURJTMIESA-N -1 3 215.278 0.487 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000069948083 136278343 /nfs/dbraw/zinc/27/83/43/136278343.db2.gz LEOJXPPWLYXOEK-ZCFIWIBFSA-N -1 3 215.278 0.487 20 0 BCADHM CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000035148947 343286835 /nfs/dbraw/zinc/28/68/35/343286835.db2.gz LRRAOAUAWVHSMP-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM C[C@@H](CO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000035204387 343289313 /nfs/dbraw/zinc/28/93/13/343289313.db2.gz AZCUHPGPODHFHP-LURJTMIESA-N -1 3 220.232 0.069 20 0 BCADHM CCc1n[n-]c(NC(=O)c2cccn(C)c2=O)n1 ZINC000479186919 529699007 /nfs/dbraw/zinc/69/90/07/529699007.db2.gz FLDXZMMAOJLTKK-UHFFFAOYSA-N -1 3 247.258 0.318 20 0 BCADHM CCO[C@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)C1 ZINC000628067049 343280836 /nfs/dbraw/zinc/28/08/36/343280836.db2.gz ATEJGXUGUCSPSN-ZKCHVHJHSA-N -1 3 237.259 0.480 20 0 BCADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)OC ZINC000070224057 343314846 /nfs/dbraw/zinc/31/48/46/343314846.db2.gz XYNIFMQTZUKDPD-RQJHMYQMSA-N -1 3 223.294 0.123 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C1(CO)CCC1 ZINC000632182077 343379515 /nfs/dbraw/zinc/37/95/15/343379515.db2.gz XUXVAWHTCXAJAL-UHFFFAOYSA-N -1 3 246.288 0.176 20 0 BCADHM C[C@H]1CC(NC(=O)c2c[n-]nn2)C[C@H](C)O1 ZINC000122478356 343372817 /nfs/dbraw/zinc/37/28/17/343372817.db2.gz IFOADRAJDGEQKF-BQBZGAKWSA-N -1 3 224.264 0.491 20 0 BCADHM C[C@H]1CC(NC(=O)c2cnn[n-]2)C[C@H](C)O1 ZINC000122478356 343372820 /nfs/dbraw/zinc/37/28/20/343372820.db2.gz IFOADRAJDGEQKF-BQBZGAKWSA-N -1 3 224.264 0.491 20 0 BCADHM C[C@H]1CC(NC(=O)c2cn[n-]n2)C[C@H](C)O1 ZINC000122478356 343372822 /nfs/dbraw/zinc/37/28/22/343372822.db2.gz IFOADRAJDGEQKF-BQBZGAKWSA-N -1 3 224.264 0.491 20 0 BCADHM O=C([O-])[C@H]1CCCCN1C[C@@H](O)C(F)(F)F ZINC000225442410 259360508 /nfs/dbraw/zinc/36/05/08/259360508.db2.gz ZKQSHZZKCNEVHO-RNFRBKRXSA-N -1 3 241.209 0.849 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CC2(C)CC2)c1 ZINC000335684734 136329862 /nfs/dbraw/zinc/32/98/62/136329862.db2.gz DXUXJOCOCFFURK-UHFFFAOYSA-N -1 3 229.305 0.499 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000042204346 343430940 /nfs/dbraw/zinc/43/09/40/343430940.db2.gz PSPKARMJMZMQGG-SSDOTTSWSA-N -1 3 223.228 0.684 20 0 BCADHM COC(=O)[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000042208589 343431321 /nfs/dbraw/zinc/43/13/21/343431321.db2.gz YPCJTUACXYBJHA-MRVPVSSYSA-N -1 3 237.255 0.992 20 0 BCADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1CO ZINC000042433513 343436813 /nfs/dbraw/zinc/43/68/13/343436813.db2.gz QROKELTYLLPSJN-SECBINFHSA-N -1 3 221.256 0.989 20 0 BCADHM CCCCCCNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000042853065 343455606 /nfs/dbraw/zinc/45/56/06/343455606.db2.gz XNWUFXRJJHDWRT-QMMMGPOBSA-N -1 3 241.291 0.281 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)[C@@H](N)[C@H](C)CC ZINC000044624571 343510466 /nfs/dbraw/zinc/51/04/66/343510466.db2.gz PWZDUAYQQWDKDV-SCZZXKLOSA-N -1 3 230.308 0.683 20 0 BCADHM O=C(NC[C@@H]1CCC(=O)N1)c1ccccc1[O-] ZINC000071030743 343590814 /nfs/dbraw/zinc/59/08/14/343590814.db2.gz IVENXFDDYJQZEZ-QMMMGPOBSA-N -1 3 234.255 0.401 20 0 BCADHM CCC[C@H](O)CN1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000634694991 343622517 /nfs/dbraw/zinc/62/25/17/343622517.db2.gz NXFMLPIHVGOKOQ-JBLDHEPKSA-N -1 3 245.319 0.711 20 0 BCADHM CO[C@@H]1CN(CCOC(C)C)[C@@](C)(C(=O)[O-])C1 ZINC000634695701 343623462 /nfs/dbraw/zinc/62/34/62/343623462.db2.gz YHQPRDXLQWNMJG-CMPLNLGQSA-N -1 3 245.319 0.975 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H](N)C1CCC1 ZINC000399095163 488227821 /nfs/dbraw/zinc/22/78/21/488227821.db2.gz VECTYPZTIVKCCH-RKDXNWHRSA-N -1 3 228.292 0.435 20 0 BCADHM COc1cc(C(=O)[N-]c2cnccn2)on1 ZINC000126210597 343682524 /nfs/dbraw/zinc/68/25/24/343682524.db2.gz NQQQETJHRUWZEZ-UHFFFAOYSA-N -1 3 220.188 0.726 20 0 BCADHM CN(CCC(N)=O)C(=O)/C=C/c1cncc([O-])c1 ZINC000492902471 529874585 /nfs/dbraw/zinc/87/45/85/529874585.db2.gz YCSCGMIBYGYRIB-NSCUHMNNSA-N -1 3 249.270 0.134 20 0 BCADHM CNC(=O)[C@H](C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492473990 529913985 /nfs/dbraw/zinc/91/39/85/529913985.db2.gz NOMHJRXIAVDWNF-VEMNSZJBSA-N -1 3 249.270 0.051 20 0 BCADHM C[C@@H]1CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000641244092 362319904 /nfs/dbraw/zinc/31/99/04/362319904.db2.gz SYDYXOAJSHMLNJ-SSDOTTSWSA-N -1 3 244.250 0.805 20 0 BCADHM C[C@@H](O)C[C@@H](C)CNC(=O)c1cc(=O)[n-]cn1 ZINC000625762763 344064255 /nfs/dbraw/zinc/06/42/55/344064255.db2.gz FRZSJOZWMQOTEY-HTQZYQBOSA-N -1 3 239.275 0.319 20 0 BCADHM Cc1noc(C[N-]S(=O)(=O)C2(C)CC2)n1 ZINC000408228422 344264740 /nfs/dbraw/zinc/26/47/40/344264740.db2.gz XFVPDTAYJDYCDO-UHFFFAOYSA-N -1 3 231.277 0.350 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)CC1(C)CCC1 ZINC000603285506 349907152 /nfs/dbraw/zinc/90/71/52/349907152.db2.gz VTRVJMGLQOZEOX-UHFFFAOYSA-N -1 3 249.332 0.659 20 0 BCADHM C[C@H]1C[C@H](O)CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000385112384 344330971 /nfs/dbraw/zinc/33/09/71/344330971.db2.gz WACXUNRDJZCEEY-CBAPKCEASA-N -1 3 246.270 0.553 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000622868554 344436635 /nfs/dbraw/zinc/43/66/35/344436635.db2.gz RMNMHSCPPTXCDF-RRKCRQDMSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000622868554 344436637 /nfs/dbraw/zinc/43/66/37/344436637.db2.gz RMNMHSCPPTXCDF-RRKCRQDMSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000622868554 344436639 /nfs/dbraw/zinc/43/66/39/344436639.db2.gz RMNMHSCPPTXCDF-RRKCRQDMSA-N -1 3 249.274 0.278 20 0 BCADHM CSCCCC(=O)[N-]c1nnc2[nH]cnn12 ZINC000590378608 347052319 /nfs/dbraw/zinc/05/23/19/347052319.db2.gz CYQNFXYMJJNGGV-UHFFFAOYSA-N -1 3 240.292 0.534 20 0 BCADHM CC(C)CCN(C)C(=O)CN1CC(=O)[N-]C1=O ZINC000111561846 344595155 /nfs/dbraw/zinc/59/51/55/344595155.db2.gz XGYARENVYQADTF-UHFFFAOYSA-N -1 3 241.291 0.043 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)[C@@H]1CCOC[C@@H]1C ZINC000641426199 362410529 /nfs/dbraw/zinc/41/05/29/362410529.db2.gz OKIBYCHNSQBPPT-WCBMZHEXSA-N -1 3 249.332 0.310 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](O)C1 ZINC000625971708 344631346 /nfs/dbraw/zinc/63/13/46/344631346.db2.gz UUZZGLDUYVGAFW-VIFPVBQESA-N -1 3 221.256 0.907 20 0 BCADHM COC(=O)[C@@H](C)[N-]S(=O)(=O)CC1(C)CCC1 ZINC000603298568 349915016 /nfs/dbraw/zinc/91/50/16/349915016.db2.gz OVAZVAWPFXKVEZ-MRVPVSSYSA-N -1 3 249.332 0.658 20 0 BCADHM COC(C)(C)CN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000626089952 344731820 /nfs/dbraw/zinc/73/18/20/344731820.db2.gz OODKBZDFKLALSA-UHFFFAOYSA-N -1 3 239.275 0.679 20 0 BCADHM O=C(NC1CC=CC1)c1cc(=O)[n-]cn1 ZINC000626100320 344738624 /nfs/dbraw/zinc/73/86/24/344738624.db2.gz KTLJOBWCNBUODY-UHFFFAOYSA-N -1 3 205.217 0.631 20 0 BCADHM C[C@]1(CNC(=O)c2cc(=O)[n-]cn2)CCCO1 ZINC000626056770 344704560 /nfs/dbraw/zinc/70/45/60/344704560.db2.gz OGQIZSQKFFEAEX-LLVKDONJSA-N -1 3 237.259 0.481 20 0 BCADHM C[C@@]1(CNC(=O)c2cc(=O)[n-]cn2)CCCO1 ZINC000626056771 344704792 /nfs/dbraw/zinc/70/47/92/344704792.db2.gz OGQIZSQKFFEAEX-NSHDSACASA-N -1 3 237.259 0.481 20 0 BCADHM CC[C@@H](CCO)CNC(=O)c1cc(=O)[n-]cn1 ZINC000626061487 344707851 /nfs/dbraw/zinc/70/78/51/344707851.db2.gz LTVWKPIMEFIZGY-QMMMGPOBSA-N -1 3 239.275 0.321 20 0 BCADHM C[C@@H](CCO)C[N-]S(=O)(=O)c1ccccn1 ZINC000133137869 344708921 /nfs/dbraw/zinc/70/89/21/344708921.db2.gz LJXHIRYGVDHSFW-VIFPVBQESA-N -1 3 244.316 0.378 20 0 BCADHM C[C@@H](CCCO)NC(=O)c1cc(=O)[n-]cn1 ZINC000626063054 344708930 /nfs/dbraw/zinc/70/89/30/344708930.db2.gz PNWXNVBFLUFBKP-ZETCQYMHSA-N -1 3 225.248 0.073 20 0 BCADHM Cc1nccc(CSCCc2nnn[n-]2)n1 ZINC000603340447 349916731 /nfs/dbraw/zinc/91/67/31/349916731.db2.gz HXYQOYOJDNKZJM-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM Cc1nccc(CSCCc2nn[n-]n2)n1 ZINC000603340447 349916734 /nfs/dbraw/zinc/91/67/34/349916734.db2.gz HXYQOYOJDNKZJM-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM CN(C(=O)CSCCc1nnn[n-]1)C1CC1 ZINC000603339976 349917872 /nfs/dbraw/zinc/91/78/72/349917872.db2.gz QHQBKRQCITWMNV-UHFFFAOYSA-N -1 3 241.320 0.096 20 0 BCADHM CN(C(=O)CSCCc1nn[n-]n1)C1CC1 ZINC000603339976 349917875 /nfs/dbraw/zinc/91/78/75/349917875.db2.gz QHQBKRQCITWMNV-UHFFFAOYSA-N -1 3 241.320 0.096 20 0 BCADHM COCC[C@@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000075941107 344788898 /nfs/dbraw/zinc/78/88/98/344788898.db2.gz AEQYKFJMRQDGTF-MRVPVSSYSA-N -1 3 247.320 0.123 20 0 BCADHM C[C@@H]1OCC[C@@H]1CSCCc1nnn[n-]1 ZINC000603340818 349917470 /nfs/dbraw/zinc/91/74/70/349917470.db2.gz AEGQHDMACMEIGT-JGVFFNPUSA-N -1 3 228.321 0.900 20 0 BCADHM C[C@@H]1OCC[C@@H]1CSCCc1nn[n-]n1 ZINC000603340818 349917474 /nfs/dbraw/zinc/91/74/74/349917474.db2.gz AEGQHDMACMEIGT-JGVFFNPUSA-N -1 3 228.321 0.900 20 0 BCADHM Cc1cnn(CCSCCc2nnn[n-]2)c1 ZINC000603340622 349917690 /nfs/dbraw/zinc/91/76/90/349917690.db2.gz KRRMNKHBCKTRTN-UHFFFAOYSA-N -1 3 238.320 0.681 20 0 BCADHM Cc1cnn(CCSCCc2nn[n-]n2)c1 ZINC000603340622 349917691 /nfs/dbraw/zinc/91/76/91/349917691.db2.gz KRRMNKHBCKTRTN-UHFFFAOYSA-N -1 3 238.320 0.681 20 0 BCADHM COC[C@H](CSCCc1nnn[n-]1)OC ZINC000603341465 349918824 /nfs/dbraw/zinc/91/88/24/349918824.db2.gz DBNXKKPKASFCGA-SSDOTTSWSA-N -1 3 232.309 0.137 20 0 BCADHM COC[C@H](CSCCc1nn[n-]n1)OC ZINC000603341465 349918825 /nfs/dbraw/zinc/91/88/25/349918825.db2.gz DBNXKKPKASFCGA-SSDOTTSWSA-N -1 3 232.309 0.137 20 0 BCADHM Cc1ncc(CSCCc2nnn[n-]2)cn1 ZINC000603342343 349919869 /nfs/dbraw/zinc/91/98/69/349919869.db2.gz XXUIQYVBVBJDKD-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM Cc1ncc(CSCCc2nn[n-]n2)cn1 ZINC000603342343 349919871 /nfs/dbraw/zinc/91/98/71/349919871.db2.gz XXUIQYVBVBJDKD-UHFFFAOYSA-N -1 3 236.304 0.774 20 0 BCADHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)c1nccn1C ZINC000628148985 344835550 /nfs/dbraw/zinc/83/55/50/344835550.db2.gz IEIHYWWFHHPPGN-ZETCQYMHSA-N -1 3 247.258 0.407 20 0 BCADHM O=c1[nH]cc(S(=O)(=O)[N-]CCF)s1 ZINC000632300858 344881684 /nfs/dbraw/zinc/88/16/84/344881684.db2.gz DVKFWOPOWSSAIT-UHFFFAOYSA-N -1 3 226.254 0.097 20 0 BCADHM CSc1nnc(NC(=O)C[C@H]2CCOC2)[n-]1 ZINC000578478781 344887454 /nfs/dbraw/zinc/88/74/54/344887454.db2.gz AQLJPPQHFJQBNE-ZCFIWIBFSA-N -1 3 242.304 0.892 20 0 BCADHM CSc1n[n-]c(NC(=O)C[C@H]2CCOC2)n1 ZINC000578478781 344887456 /nfs/dbraw/zinc/88/74/56/344887456.db2.gz AQLJPPQHFJQBNE-ZCFIWIBFSA-N -1 3 242.304 0.892 20 0 BCADHM CSc1nc(NC(=O)C[C@H]2CCOC2)n[n-]1 ZINC000578478781 344887457 /nfs/dbraw/zinc/88/74/57/344887457.db2.gz AQLJPPQHFJQBNE-ZCFIWIBFSA-N -1 3 242.304 0.892 20 0 BCADHM O=C(c1c([O-])cccc1O)N1C[C@H]2C[C@@]2(O)C1 ZINC000641579094 362513756 /nfs/dbraw/zinc/51/37/56/362513756.db2.gz NJVKLGPUEGBADO-JMCQJSRRSA-N -1 3 235.239 0.305 20 0 BCADHM CO[C@]1(C)CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000408275906 345016379 /nfs/dbraw/zinc/01/63/79/345016379.db2.gz CHEBAOIMPIAALH-LLVKDONJSA-N -1 3 240.307 0.109 20 0 BCADHM C[C@H]1C[C@H](O)CN1C(=O)Cc1cncc([O-])c1 ZINC000574823551 345038372 /nfs/dbraw/zinc/03/83/72/345038372.db2.gz UNYFFEMMEVMSQZ-KWQFWETISA-N -1 3 236.271 0.311 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CC2CCC2)c1 ZINC000069097980 362509113 /nfs/dbraw/zinc/50/91/13/362509113.db2.gz QQCVUXWTHUXEEX-UHFFFAOYSA-N -1 3 229.305 0.499 20 0 BCADHM CCCCS(=O)(=O)[N-]Cc1nc(C)no1 ZINC000044454531 345079270 /nfs/dbraw/zinc/07/92/70/345079270.db2.gz CBZXJVVFKXLSCU-UHFFFAOYSA-N -1 3 233.293 0.598 20 0 BCADHM O=S(=O)([N-]CC1CSC1)c1ccccn1 ZINC000641613138 362545121 /nfs/dbraw/zinc/54/51/21/362545121.db2.gz QDTYKMLNVIYCQZ-UHFFFAOYSA-N -1 3 244.341 0.723 20 0 BCADHM Cc1nsc(SCCc2nnn[n-]2)n1 ZINC000641637635 362566014 /nfs/dbraw/zinc/56/60/14/362566014.db2.gz OYQREGCNITXCIB-UHFFFAOYSA-N -1 3 228.306 0.694 20 0 BCADHM Cc1nsc(SCCc2nn[n-]n2)n1 ZINC000641637635 362566018 /nfs/dbraw/zinc/56/60/18/362566018.db2.gz OYQREGCNITXCIB-UHFFFAOYSA-N -1 3 228.306 0.694 20 0 BCADHM C[C@H](CN(C)CC(=O)NCC(=O)[O-])C(C)(C)C ZINC000635022015 345224147 /nfs/dbraw/zinc/22/41/47/345224147.db2.gz SIBWUIXGBTVTNA-SECBINFHSA-N -1 3 244.335 0.801 20 0 BCADHM COC(=O)[C@@H](C)SCCc1nnn[n-]1 ZINC000603335022 349926186 /nfs/dbraw/zinc/92/61/86/349926186.db2.gz QTRMWXJKMYWRGZ-RXMQYKEDSA-N -1 3 216.266 0.037 20 0 BCADHM COC(=O)[C@@H](C)SCCc1nn[n-]n1 ZINC000603335022 349926190 /nfs/dbraw/zinc/92/61/90/349926190.db2.gz QTRMWXJKMYWRGZ-RXMQYKEDSA-N -1 3 216.266 0.037 20 0 BCADHM CCCc1cc(NC(=O)c2nnc[n-]2)n[nH]1 ZINC000158568717 345349775 /nfs/dbraw/zinc/34/97/75/345349775.db2.gz UYZSLTHMSBHWSR-UHFFFAOYSA-N -1 3 220.236 0.733 20 0 BCADHM CCCc1cc(NC(=O)c2nc[n-]n2)n[nH]1 ZINC000158568717 345349777 /nfs/dbraw/zinc/34/97/77/345349777.db2.gz UYZSLTHMSBHWSR-UHFFFAOYSA-N -1 3 220.236 0.733 20 0 BCADHM CC1(C)Oc2ccc(-c3nnn[n-]3)cc2NC1=O ZINC000408494461 345377803 /nfs/dbraw/zinc/37/78/03/345377803.db2.gz VONGDDSYAADXAE-UHFFFAOYSA-N -1 3 245.242 0.976 20 0 BCADHM CC1(C)Oc2ccc(-c3nn[n-]n3)cc2NC1=O ZINC000408494461 345377804 /nfs/dbraw/zinc/37/78/04/345377804.db2.gz VONGDDSYAADXAE-UHFFFAOYSA-N -1 3 245.242 0.976 20 0 BCADHM CC(=O)[C@H](C)SCCc1nnn[n-]1 ZINC000603337746 349927702 /nfs/dbraw/zinc/92/77/02/349927702.db2.gz MYIGHXGIFFTFAR-LURJTMIESA-N -1 3 200.267 0.453 20 0 BCADHM CC(=O)[C@H](C)SCCc1nn[n-]n1 ZINC000603337746 349927704 /nfs/dbraw/zinc/92/77/04/349927704.db2.gz MYIGHXGIFFTFAR-LURJTMIESA-N -1 3 200.267 0.453 20 0 BCADHM COCCOCCSCCc1nnn[n-]1 ZINC000603338365 349929128 /nfs/dbraw/zinc/92/91/28/349929128.db2.gz JLCHADXTIXVDSK-UHFFFAOYSA-N -1 3 232.309 0.138 20 0 BCADHM COCCOCCSCCc1nn[n-]n1 ZINC000603338365 349929130 /nfs/dbraw/zinc/92/91/30/349929130.db2.gz JLCHADXTIXVDSK-UHFFFAOYSA-N -1 3 232.309 0.138 20 0 BCADHM CCN(Cc1n[nH]c(=O)[n-]1)[C@@H](C)C(C)C ZINC000091542826 345597754 /nfs/dbraw/zinc/59/77/54/345597754.db2.gz RGQJJFMSIDJVCA-QMMMGPOBSA-N -1 3 212.297 0.964 20 0 BCADHM Cn1[n-]c(=O)c2c1CN(c1ncc(F)cn1)CC2 ZINC000641676212 362597378 /nfs/dbraw/zinc/59/73/78/362597378.db2.gz HGFFVGJLPWFANG-UHFFFAOYSA-N -1 3 249.249 0.618 20 0 BCADHM CC(C)N1CCCC[C@H]1C(=O)N(C)CC(=O)[O-] ZINC000563132776 323094519 /nfs/dbraw/zinc/09/45/19/323094519.db2.gz QHKJTVZRDNAIFA-JTQLQIEISA-N -1 3 242.319 0.792 20 0 BCADHM COCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000095190629 345683054 /nfs/dbraw/zinc/68/30/54/345683054.db2.gz WDWZCYLJNGURKE-UHFFFAOYSA-N -1 3 247.258 0.375 20 0 BCADHM COCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000095190629 345683055 /nfs/dbraw/zinc/68/30/55/345683055.db2.gz WDWZCYLJNGURKE-UHFFFAOYSA-N -1 3 247.258 0.375 20 0 BCADHM c1cc(-c2nnn[n-]2)ncc1N1CCCC1 ZINC000095235402 345683924 /nfs/dbraw/zinc/68/39/24/345683924.db2.gz XTEIMNZDUFFMSD-UHFFFAOYSA-N -1 3 216.248 0.862 20 0 BCADHM c1cc(-c2nn[n-]n2)ncc1N1CCCC1 ZINC000095235402 345683927 /nfs/dbraw/zinc/68/39/27/345683927.db2.gz XTEIMNZDUFFMSD-UHFFFAOYSA-N -1 3 216.248 0.862 20 0 BCADHM O=C1CCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095234163 345684429 /nfs/dbraw/zinc/68/44/29/345684429.db2.gz RGUCSQMYIGUSPX-UHFFFAOYSA-N -1 3 243.270 0.989 20 0 BCADHM O=C1CCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095234163 345684430 /nfs/dbraw/zinc/68/44/30/345684430.db2.gz RGUCSQMYIGUSPX-UHFFFAOYSA-N -1 3 243.270 0.989 20 0 BCADHM O=c1[n-]cnc2c1CN(c1ccccn1)CC2 ZINC000225809003 345750899 /nfs/dbraw/zinc/75/08/99/345750899.db2.gz LQTOCYWXVLDHOJ-UHFFFAOYSA-N -1 3 228.255 0.728 20 0 BCADHM C[C@H]1OCCN(C(=O)c2cc(=O)[n-]cn2)[C@@H]1C ZINC000626151841 345779302 /nfs/dbraw/zinc/77/93/02/345779302.db2.gz WPUXLZMVBAQUAB-HTQZYQBOSA-N -1 3 237.259 0.432 20 0 BCADHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1conc1C ZINC000632347818 345954458 /nfs/dbraw/zinc/95/44/58/345954458.db2.gz ZEFSZOUSKXLFEO-SVRRBLITSA-N -1 3 248.304 0.685 20 0 BCADHM CCC[C@H](C)NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000673633895 488298709 /nfs/dbraw/zinc/29/87/09/488298709.db2.gz RDNHJALDKYIESG-YFKPBYRVSA-N -1 3 240.263 0.388 20 0 BCADHM CCC(C)(C)[C@H](O)C(=O)[N-]c1nncn1C ZINC000635802142 346068197 /nfs/dbraw/zinc/06/81/97/346068197.db2.gz OQNZZFRBVWFVLD-SSDOTTSWSA-N -1 3 226.280 0.551 20 0 BCADHM CN(CCCCO)C(=O)c1cc(F)c[n-]c1=O ZINC000635851381 346090574 /nfs/dbraw/zinc/09/05/74/346090574.db2.gz DNJVMVHDRNVUCG-UHFFFAOYSA-N -1 3 242.250 0.771 20 0 BCADHM C[C@@H]1C(=O)NCCCN1Cc1ncccc1[O-] ZINC000584318755 346175679 /nfs/dbraw/zinc/17/56/79/346175679.db2.gz YZWNMMCBXMSHHC-SECBINFHSA-N -1 3 235.287 0.498 20 0 BCADHM O=C(c1cc(F)c[n-]c1=O)N1CCC12COC2 ZINC000635999805 346150598 /nfs/dbraw/zinc/15/05/98/346150598.db2.gz VKIMOOHYBSDQTD-UHFFFAOYSA-N -1 3 238.218 0.541 20 0 BCADHM Cc1cccc(C(=O)N(C)CC(N)=O)c1[O-] ZINC000037269252 179004119 /nfs/dbraw/zinc/00/41/19/179004119.db2.gz FWYZONGDXKWCLP-UHFFFAOYSA-N -1 3 222.244 0.258 20 0 BCADHM CCC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636282660 346377284 /nfs/dbraw/zinc/37/72/84/346377284.db2.gz PWBBIAPNQRNVDF-UHFFFAOYSA-N -1 3 207.233 0.743 20 0 BCADHM O=C(N[C@@H]1CCCn2nccc21)c1c[n-]nn1 ZINC000636379888 346430385 /nfs/dbraw/zinc/43/03/85/346430385.db2.gz NIEWZQAJSCEYPZ-SSDOTTSWSA-N -1 3 232.247 0.266 20 0 BCADHM O=C(N[C@@H]1CCCn2nccc21)c1cnn[n-]1 ZINC000636379888 346430389 /nfs/dbraw/zinc/43/03/89/346430389.db2.gz NIEWZQAJSCEYPZ-SSDOTTSWSA-N -1 3 232.247 0.266 20 0 BCADHM O=C(N[C@@H]1CCCn2nccc21)c1cn[n-]n1 ZINC000636379888 346430391 /nfs/dbraw/zinc/43/03/91/346430391.db2.gz NIEWZQAJSCEYPZ-SSDOTTSWSA-N -1 3 232.247 0.266 20 0 BCADHM CCn1ccc(NC(=O)c2cnn[n-]2)n1 ZINC000300870130 346523831 /nfs/dbraw/zinc/52/38/31/346523831.db2.gz KPPYEVDTEPPQPC-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CCn1ccc(NC(=O)c2c[n-]nn2)n1 ZINC000300870130 346523833 /nfs/dbraw/zinc/52/38/33/346523833.db2.gz KPPYEVDTEPPQPC-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CCn1ccc(NC(=O)c2cn[n-]n2)n1 ZINC000300870130 346523837 /nfs/dbraw/zinc/52/38/37/346523837.db2.gz KPPYEVDTEPPQPC-UHFFFAOYSA-N -1 3 206.209 0.273 20 0 BCADHM CC(C)[C@H](O)CNC(=O)Cc1cncc([O-])c1 ZINC000580057232 346499606 /nfs/dbraw/zinc/49/96/06/346499606.db2.gz CGPRGQVHYCJAMI-LLVKDONJSA-N -1 3 238.287 0.463 20 0 BCADHM CCCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000176049321 168561839 /nfs/dbraw/zinc/56/18/39/168561839.db2.gz KEUORLWJZFZSDP-UHFFFAOYSA-N -1 3 211.221 0.935 20 0 BCADHM Cc1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000039793432 179129117 /nfs/dbraw/zinc/12/91/17/179129117.db2.gz RNYHCOZBWDTEFC-VIFPVBQESA-N -1 3 247.254 0.532 20 0 BCADHM O=C(NCCOCCF)c1ccc(O)cc1[O-] ZINC000621091789 346687649 /nfs/dbraw/zinc/68/76/49/346687649.db2.gz QDYPVPLYLWSGLS-UHFFFAOYSA-N -1 3 243.234 0.814 20 0 BCADHM C[C@H](O)CN(Cc1ncccc1[O-])[C@@H](C)CO ZINC000563656654 323133818 /nfs/dbraw/zinc/13/38/18/323133818.db2.gz OLLMKGRBZJJXTG-UWVGGRQHSA-N -1 3 240.303 0.351 20 0 BCADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1O ZINC000387835266 347106335 /nfs/dbraw/zinc/10/63/35/347106335.db2.gz ARUFEPFQDKMWDW-LDYMZIIASA-N -1 3 221.256 0.845 20 0 BCADHM CC(C)[C@@H](O)C(=O)NCc1ncccc1[O-] ZINC000355434218 187375534 /nfs/dbraw/zinc/37/55/34/187375534.db2.gz BENXCJIOHNCXIR-SNVBAGLBSA-N -1 3 224.260 0.420 20 0 BCADHM O=C(CO)Nc1cc(Cl)ccc1[O-] ZINC000011638731 347462864 /nfs/dbraw/zinc/46/28/64/347462864.db2.gz BQDXREKBFVFFNX-UHFFFAOYSA-N -1 3 201.609 0.976 20 0 BCADHM C[C@@H]1CC(C)(C)CN1CC(=O)Nc1nnn[n-]1 ZINC000571620784 323149572 /nfs/dbraw/zinc/14/95/72/323149572.db2.gz ZTEFCPCTJDREMY-SSDOTTSWSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@@H]1CC(C)(C)CN1CC(=O)Nc1nn[n-]n1 ZINC000571620784 323149573 /nfs/dbraw/zinc/14/95/73/323149573.db2.gz ZTEFCPCTJDREMY-SSDOTTSWSA-N -1 3 238.295 0.259 20 0 BCADHM CC[C@@H](C)N(CC)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000616978757 347561335 /nfs/dbraw/zinc/56/13/35/347561335.db2.gz GIGWNHXJCMLKJC-SFYZADRCSA-N -1 3 241.291 0.232 20 0 BCADHM O=C([N-]c1nnc2ccccn21)c1cocn1 ZINC000591143797 347620712 /nfs/dbraw/zinc/62/07/12/347620712.db2.gz AXIYMIBWHAIJAX-UHFFFAOYSA-N -1 3 229.199 0.970 20 0 BCADHM Cn1cnc(C(=O)Nc2cccc([O-])c2F)n1 ZINC000577256012 365903304 /nfs/dbraw/zinc/90/33/04/365903304.db2.gz DUKNIPRLFQULPE-UHFFFAOYSA-N -1 3 236.206 0.912 20 0 BCADHM CCN(C)CCNC(=O)[C@H](C(=O)[O-])C(C)C ZINC000577377638 365933698 /nfs/dbraw/zinc/93/36/98/365933698.db2.gz SISAHSPEBBOZBH-SECBINFHSA-N -1 3 230.308 0.411 20 0 BCADHM O=S(=O)(C[C@H]1CCCO1)[N-]Cc1cocn1 ZINC000594040005 347995071 /nfs/dbraw/zinc/99/50/71/347995071.db2.gz KEZYEQOFLUYSMV-SECBINFHSA-N -1 3 246.288 0.273 20 0 BCADHM CCNc1ncc(C(=O)[N-]c2nc[nH]n2)s1 ZINC000177040885 187390794 /nfs/dbraw/zinc/39/07/94/187390794.db2.gz SONWWPVFTNTMFZ-UHFFFAOYSA-N -1 3 238.276 0.945 20 0 BCADHM O=C([O-])c1cnccc1NCCOCCO ZINC000088109870 362903509 /nfs/dbraw/zinc/90/35/09/362903509.db2.gz XLCIRUDXIUNVCF-UHFFFAOYSA-N -1 3 226.232 0.201 20 0 BCADHM Cc1cc(Sc2n[n-]c(CO)n2)ncn1 ZINC000527315088 323185588 /nfs/dbraw/zinc/18/55/88/323185588.db2.gz NSHLPFBGRPRXOE-UHFFFAOYSA-N -1 3 223.261 0.547 20 0 BCADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cn[n-]n1 ZINC000395120046 323187800 /nfs/dbraw/zinc/18/78/00/323187800.db2.gz TVGFGWLXKWRWQV-HTQZYQBOSA-N -1 3 208.265 0.969 20 0 BCADHM CCOC(=O)c1cc(-c2nncn2C)n[n-]1 ZINC000596646494 348604290 /nfs/dbraw/zinc/60/42/90/348604290.db2.gz RAVPPPGJEDOBIS-UHFFFAOYSA-N -1 3 221.220 0.382 20 0 BCADHM Cc1cc(CS(=O)(=O)[N-]CC(C)(C)O)no1 ZINC000082829102 348819277 /nfs/dbraw/zinc/81/92/77/348819277.db2.gz IKWVJISYICGNLH-UHFFFAOYSA-N -1 3 248.304 0.173 20 0 BCADHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)C1CC1 ZINC000623511030 362936359 /nfs/dbraw/zinc/93/63/59/362936359.db2.gz WDJYXBXHARMXBL-LURJTMIESA-N -1 3 207.233 0.711 20 0 BCADHM CCO[N-]C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160591853 349262538 /nfs/dbraw/zinc/26/25/38/349262538.db2.gz ZELCKCWGQRGCPO-HOTUBEGUSA-N -1 3 242.319 0.587 20 0 BCADHM C[C@H]1CCN[C@H](C(=O)N(C)CCCC(=O)[O-])C1 ZINC000161207926 349398273 /nfs/dbraw/zinc/39/82/73/349398273.db2.gz RNHWWMBOQMCBHZ-UWVGGRQHSA-N -1 3 242.319 0.698 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1CCCC1 ZINC000603808094 350036568 /nfs/dbraw/zinc/03/65/68/350036568.db2.gz IEXSZJMAIQHVDM-JTQLQIEISA-N -1 3 237.303 0.805 20 0 BCADHM Cc1nc([N-]C(=O)c2ncoc2C)n[nH]1 ZINC000103257564 180013449 /nfs/dbraw/zinc/01/34/49/180013449.db2.gz MUBSNBJYQZTHBV-UHFFFAOYSA-N -1 3 207.193 0.662 20 0 BCADHM Cc1nc([N-]C(=O)c2ncn(C(C)(C)C)n2)n[nH]1 ZINC000292144541 180013483 /nfs/dbraw/zinc/01/34/83/180013483.db2.gz OYRWZLHHIOZVIC-UHFFFAOYSA-N -1 3 249.278 0.712 20 0 BCADHM Cc1nc([N-]C(=O)c2cscn2)nn1C ZINC000294315039 180014355 /nfs/dbraw/zinc/01/43/55/180014355.db2.gz SBHZRLKDTFDIBT-UHFFFAOYSA-N -1 3 223.261 0.832 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)COC(C)C ZINC000275186569 180026840 /nfs/dbraw/zinc/02/68/40/180026840.db2.gz WIDYTDVBZUXBST-UHFFFAOYSA-N -1 3 241.247 0.560 20 0 BCADHM N[C@@H](CC1CCCCC1)C(=O)NCC(=O)[O-] ZINC000304220186 350145134 /nfs/dbraw/zinc/14/51/34/350145134.db2.gz HJGFSGULXOEAGB-VIFPVBQESA-N -1 3 228.292 0.485 20 0 BCADHM C[C@H]1C[C@@H]1N1CCN(C(=O)C(=O)[O-])C[C@@H](C)C1 ZINC000428170138 191047871 /nfs/dbraw/zinc/04/78/71/191047871.db2.gz KAYUROLRLATYJR-GUBZILKMSA-N -1 3 240.303 0.260 20 0 BCADHM Cc1ncc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)[nH]1 ZINC000427138908 191053504 /nfs/dbraw/zinc/05/35/04/191053504.db2.gz ZZRBRLSJLRWGFE-UHFFFAOYSA-N -1 3 249.230 0.480 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccncn1 ZINC000427139892 191054323 /nfs/dbraw/zinc/05/43/23/191054323.db2.gz LEMMZMSZHGAOFM-UHFFFAOYSA-N -1 3 247.214 0.239 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-]C[C@H](C)O)s1 ZINC000218909648 180172717 /nfs/dbraw/zinc/17/27/17/180172717.db2.gz LJASTSIWLCGERK-YFKPBYRVSA-N -1 3 236.318 0.111 20 0 BCADHM CC(C)[C@H](C(=O)N(C)CCCC(=O)[O-])N(C)C ZINC000427734466 191090516 /nfs/dbraw/zinc/09/05/16/191090516.db2.gz MOPJYRRGAJKBEK-LLVKDONJSA-N -1 3 244.335 0.896 20 0 BCADHM Cn1cc(C(=O)N[C@]23C[C@H]2CCC3)c(=O)[n-]c1=O ZINC000617202811 350347015 /nfs/dbraw/zinc/34/70/15/350347015.db2.gz UGRLJQPCGRHAMC-JMCQJSRRSA-N -1 3 249.270 0.158 20 0 BCADHM Cc1ncsc1C(=O)[N-]c1nc[nH]n1 ZINC000048572030 180307839 /nfs/dbraw/zinc/30/78/39/180307839.db2.gz ONPVZTJRWSNWCA-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1ncsc1NC(=O)c1cnn[n-]1 ZINC000352128844 180325867 /nfs/dbraw/zinc/32/58/67/180325867.db2.gz IXUNCGXVBXXPGN-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1ncsc1NC(=O)c1c[n-]nn1 ZINC000352128844 180325872 /nfs/dbraw/zinc/32/58/72/180325872.db2.gz IXUNCGXVBXXPGN-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM Cc1ncsc1NC(=O)c1cn[n-]n1 ZINC000352128844 180325875 /nfs/dbraw/zinc/32/58/75/180325875.db2.gz IXUNCGXVBXXPGN-UHFFFAOYSA-N -1 3 209.234 0.822 20 0 BCADHM O=C(Nc1nc2cccnc2[nH]1)c1cnn[n-]1 ZINC000426602068 191101035 /nfs/dbraw/zinc/10/10/35/191101035.db2.gz CTGVVMKCFQHMAU-UHFFFAOYSA-N -1 3 229.203 0.328 20 0 BCADHM O=C(Nc1nc2cccnc2[nH]1)c1c[n-]nn1 ZINC000426602068 191101038 /nfs/dbraw/zinc/10/10/38/191101038.db2.gz CTGVVMKCFQHMAU-UHFFFAOYSA-N -1 3 229.203 0.328 20 0 BCADHM O=C(Nc1nc2cccnc2[nH]1)c1cn[n-]n1 ZINC000426602068 191101041 /nfs/dbraw/zinc/10/10/41/191101041.db2.gz CTGVVMKCFQHMAU-UHFFFAOYSA-N -1 3 229.203 0.328 20 0 BCADHM O=S(=O)([N-]Cc1cccnc1)c1c[nH]cn1 ZINC000069947973 350462814 /nfs/dbraw/zinc/46/28/14/350462814.db2.gz PNYKUOHKTWQJBV-UHFFFAOYSA-N -1 3 238.272 0.283 20 0 BCADHM CCCCOCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948783 350469843 /nfs/dbraw/zinc/46/98/43/350469843.db2.gz LSTLPXNEXKOSJZ-UHFFFAOYSA-N -1 3 247.320 0.505 20 0 BCADHM O=S(=O)([N-]C(C1CC1)C1CC1)c1c[nH]cn1 ZINC000069948800 350470152 /nfs/dbraw/zinc/47/01/52/350470152.db2.gz QDWDBPWWCLQNBP-UHFFFAOYSA-N -1 3 241.316 0.877 20 0 BCADHM Cc1nn(C)cc1S(=O)(=O)[N-]CCCCF ZINC000360261337 180377670 /nfs/dbraw/zinc/37/76/70/180377670.db2.gz MABJGZRBMAQDFC-UHFFFAOYSA-N -1 3 249.311 0.757 20 0 BCADHM Cc1nn2c(nnc2SCCCF)[n-]c1=O ZINC000162120847 180394904 /nfs/dbraw/zinc/39/49/04/180394904.db2.gz FGNSTVVOJDIJQV-UHFFFAOYSA-N -1 3 243.267 0.985 20 0 BCADHM CC[C@@H](NC(=O)Cc1cncc([O-])c1)[C@@H](C)O ZINC000577507236 365973523 /nfs/dbraw/zinc/97/35/23/365973523.db2.gz UEZZONUNSQJVAL-LDYMZIIASA-N -1 3 238.287 0.605 20 0 BCADHM CN(C(=O)c1cc(=O)[n-]cn1)[C@H]1CCSC1 ZINC000626272011 350523358 /nfs/dbraw/zinc/52/33/58/350523358.db2.gz KSJBVWAZRDOGEA-ZETCQYMHSA-N -1 3 239.300 0.760 20 0 BCADHM c1[nH]c2ncccc2c1Cc1nnn[n-]1 ZINC000095236135 350658128 /nfs/dbraw/zinc/65/81/28/350658128.db2.gz BJPVONLVEXAXKX-UHFFFAOYSA-N -1 3 200.205 0.667 20 0 BCADHM c1[nH]c2ncccc2c1Cc1nn[n-]n1 ZINC000095236135 350658131 /nfs/dbraw/zinc/65/81/31/350658131.db2.gz BJPVONLVEXAXKX-UHFFFAOYSA-N -1 3 200.205 0.667 20 0 BCADHM O=[N+]([O-])c1ccccc1NCCc1nnn[n-]1 ZINC000095237781 350658248 /nfs/dbraw/zinc/65/82/48/350658248.db2.gz FQHGJNGPNJMAGB-UHFFFAOYSA-N -1 3 234.219 0.763 20 0 BCADHM O=[N+]([O-])c1ccccc1NCCc1nn[n-]n1 ZINC000095237781 350658250 /nfs/dbraw/zinc/65/82/50/350658250.db2.gz FQHGJNGPNJMAGB-UHFFFAOYSA-N -1 3 234.219 0.763 20 0 BCADHM CCc1nc(C)c(CNC(=O)c2c[n-]nn2)o1 ZINC000293594338 350919604 /nfs/dbraw/zinc/91/96/04/350919604.db2.gz GLQPZXQKFKMUBQ-UHFFFAOYSA-N -1 3 235.247 0.594 20 0 BCADHM CCc1nc(C)c(CNC(=O)c2cnn[n-]2)o1 ZINC000293594338 350919607 /nfs/dbraw/zinc/91/96/07/350919607.db2.gz GLQPZXQKFKMUBQ-UHFFFAOYSA-N -1 3 235.247 0.594 20 0 BCADHM CCc1nc(C)c(CNC(=O)c2cn[n-]n2)o1 ZINC000293594338 350919610 /nfs/dbraw/zinc/91/96/10/350919610.db2.gz GLQPZXQKFKMUBQ-UHFFFAOYSA-N -1 3 235.247 0.594 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC(=O)N(C)C1 ZINC000626365297 351008703 /nfs/dbraw/zinc/00/87/03/351008703.db2.gz AHNYMDYYPIVMRM-UHFFFAOYSA-N -1 3 234.255 0.572 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)CCO1 ZINC000626337861 350987630 /nfs/dbraw/zinc/98/76/30/350987630.db2.gz IKVAUEAACKQNQO-HTQZYQBOSA-N -1 3 237.259 0.480 20 0 BCADHM Cc1cc(C(=O)NC[C@@H]2CNC(=O)C2)ccc1[O-] ZINC000398348306 351039378 /nfs/dbraw/zinc/03/93/78/351039378.db2.gz QQFULWSQSSXNAD-VIFPVBQESA-N -1 3 248.282 0.567 20 0 BCADHM CCN1CCN(Cc2nc(C)ccc2[O-])CC1=O ZINC000273380322 351525908 /nfs/dbraw/zinc/52/59/08/351525908.db2.gz GPNQTHXSHULAHK-UHFFFAOYSA-N -1 3 249.314 0.760 20 0 BCADHM C[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)CCO1 ZINC000623618633 363064621 /nfs/dbraw/zinc/06/46/21/363064621.db2.gz YZIDGFVJIKBQCD-ZETCQYMHSA-N -1 3 223.232 0.043 20 0 BCADHM CC1(C)SC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000626973004 363072596 /nfs/dbraw/zinc/07/25/96/363072596.db2.gz PEOQOAYSGQOGAD-SSDOTTSWSA-N -1 3 239.300 0.806 20 0 BCADHM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1c[n-]nn1 ZINC000122627760 191138605 /nfs/dbraw/zinc/13/86/05/191138605.db2.gz HZOMPDWQJRKIHK-HTQZYQBOSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cnn[n-]1 ZINC000122627760 191138607 /nfs/dbraw/zinc/13/86/07/191138607.db2.gz HZOMPDWQJRKIHK-HTQZYQBOSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cn[n-]n1 ZINC000122627760 191138610 /nfs/dbraw/zinc/13/86/10/191138610.db2.gz HZOMPDWQJRKIHK-HTQZYQBOSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(Nc1nncn1C1CC1)c1cc(=O)[n-]cn1 ZINC000626977345 363074979 /nfs/dbraw/zinc/07/49/79/363074979.db2.gz NRIGMGREGRPLMF-UHFFFAOYSA-N -1 3 246.230 0.361 20 0 BCADHM CN1CCO[C@@H](C(=O)Nc2ccncc2[O-])C1 ZINC000124995023 191143712 /nfs/dbraw/zinc/14/37/12/191143712.db2.gz HYOZLEMMAVLDJI-SNVBAGLBSA-N -1 3 237.259 0.056 20 0 BCADHM O=C([O-])C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000083884188 351969924 /nfs/dbraw/zinc/96/99/24/351969924.db2.gz OHNXXBFWEJTPQL-JTQLQIEISA-N -1 3 240.303 0.548 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@@H]1CC1(C)C ZINC000411095611 191158814 /nfs/dbraw/zinc/15/88/14/191158814.db2.gz HKALVYZTYHKUGW-YFKPBYRVSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@@H]1CC1(C)C ZINC000411095611 191158817 /nfs/dbraw/zinc/15/88/17/191158817.db2.gz HKALVYZTYHKUGW-YFKPBYRVSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@@H]1CC1(C)C ZINC000411095611 191158818 /nfs/dbraw/zinc/15/88/18/191158818.db2.gz HKALVYZTYHKUGW-YFKPBYRVSA-N -1 3 237.263 0.149 20 0 BCADHM CC(C)[C@@H]1CNCCN1C(=O)c1ncccc1[O-] ZINC000638490388 352299961 /nfs/dbraw/zinc/29/99/61/352299961.db2.gz XCJGQKNFZCNWDG-JTQLQIEISA-N -1 3 249.314 0.857 20 0 BCADHM CO[C@](C)([C@H](C)NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC000411967868 191234424 /nfs/dbraw/zinc/23/44/24/191234424.db2.gz IVZMMGWNNXWPJB-WRWORJQWSA-N -1 3 240.307 0.804 20 0 BCADHM O=S(=O)([N-][C@@H]1CC[C@@H](F)C1)c1c[nH]cn1 ZINC000334185407 352774095 /nfs/dbraw/zinc/77/40/95/352774095.db2.gz FAZYHZSGAOLHOW-RNFRBKRXSA-N -1 3 233.268 0.579 20 0 BCADHM Cn1cc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)cn1 ZINC000334231353 352849381 /nfs/dbraw/zinc/84/93/81/352849381.db2.gz UISXDXFORFSGFG-YUMQZZPRSA-N -1 3 247.295 0.589 20 0 BCADHM CC(C)CCN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000334235123 352852618 /nfs/dbraw/zinc/85/26/18/352852618.db2.gz GYQQYIXHTOAJGM-SECBINFHSA-N -1 3 225.292 0.269 20 0 BCADHM CC(C)CCN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000334235123 352852621 /nfs/dbraw/zinc/85/26/21/352852621.db2.gz GYQQYIXHTOAJGM-SECBINFHSA-N -1 3 225.292 0.269 20 0 BCADHM O=S(=O)([N-][C@H]1CCC[C@H]1F)c1c[nH]cn1 ZINC000334397038 353070723 /nfs/dbraw/zinc/07/07/23/353070723.db2.gz CKENJIJBMACLAV-RQJHMYQMSA-N -1 3 233.268 0.579 20 0 BCADHM Cc1nn(C)cc1CNC(=O)c1cc(=O)[n-]cn1 ZINC000626421279 353083584 /nfs/dbraw/zinc/08/35/84/353083584.db2.gz QHVMUMANBMHPQQ-UHFFFAOYSA-N -1 3 247.258 0.154 20 0 BCADHM O=c1[n-]nc(CN2CCO[C@H]3C[C@H]32)s1 ZINC000368638929 188074567 /nfs/dbraw/zinc/07/45/67/188074567.db2.gz QNSADTFIYSPLNP-RITPCOANSA-N -1 3 213.262 0.217 20 0 BCADHM Cn1cc(CN[C@@]2(C(=O)[O-])CCSC2)cn1 ZINC000041834878 188084183 /nfs/dbraw/zinc/08/41/83/188084183.db2.gz WSFPMBLUOHFKPN-JTQLQIEISA-N -1 3 241.316 0.470 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329983767 538111555 /nfs/dbraw/zinc/11/15/55/538111555.db2.gz PWONAVDKTPGMDR-KNVOCYPGSA-N -1 3 240.284 0.852 20 0 BCADHM CC(C)C[C@@H](NC(=O)C1(N)CCCC1)C(=O)[O-] ZINC000040471206 188162927 /nfs/dbraw/zinc/16/29/27/188162927.db2.gz QIRRRCKMVWGRFU-SECBINFHSA-N -1 3 242.319 0.873 20 0 BCADHM [O-]c1cccnc1CNCc1cc[nH]n1 ZINC000336650577 188163135 /nfs/dbraw/zinc/16/31/35/188163135.db2.gz MVWKIQAMFSTCFE-UHFFFAOYSA-N -1 3 204.233 0.800 20 0 BCADHM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccco1 ZINC000188706256 188172045 /nfs/dbraw/zinc/17/20/45/188172045.db2.gz UVQGEBHHWZGMET-VIFPVBQESA-N -1 3 247.316 0.965 20 0 BCADHM CC(C)(C[N-]C(=O)C(F)(F)C(F)F)C(N)=O ZINC000226611104 188182327 /nfs/dbraw/zinc/18/23/27/188182327.db2.gz ZLFNEISLYBYQJN-UHFFFAOYSA-N -1 3 244.188 0.515 20 0 BCADHM CC(C)(O)CC(=O)NCc1ncccc1[O-] ZINC000330991955 188219814 /nfs/dbraw/zinc/21/98/14/188219814.db2.gz BAWQQBLZBCDEHF-UHFFFAOYSA-N -1 3 224.260 0.564 20 0 BCADHM O=c1[n-]nc(CN2CCOCC3(CC3)C2)s1 ZINC000367464089 188206168 /nfs/dbraw/zinc/20/61/68/188206168.db2.gz POXOERXYXIYEOE-UHFFFAOYSA-N -1 3 241.316 0.856 20 0 BCADHM CC(C)[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC000336370518 188229437 /nfs/dbraw/zinc/22/94/37/188229437.db2.gz UVCKMPDSZDWMDX-VIFPVBQESA-N -1 3 224.308 0.729 20 0 BCADHM CC(C)[C@H](CO)C(=O)NCc1ncccc1[O-] ZINC000352506533 188229749 /nfs/dbraw/zinc/22/97/49/188229749.db2.gz GQNLKMUJRBLJAQ-VIFPVBQESA-N -1 3 238.287 0.668 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)c1 ZINC000331897999 188227383 /nfs/dbraw/zinc/22/73/83/188227383.db2.gz JJTMEXHMUSVXPA-DTWKUNHWSA-N -1 3 243.332 0.837 20 0 BCADHM CC(=O)c1ccc(C(=O)N2CC(C)(O)C2)cc1[O-] ZINC000412335729 191275509 /nfs/dbraw/zinc/27/55/09/191275509.db2.gz WGHWWGOYKRQAFG-UHFFFAOYSA-N -1 3 249.266 0.802 20 0 BCADHM CC1(CNC(=O)Cc2cncc([O-])c2)COC1 ZINC000580345604 353779912 /nfs/dbraw/zinc/77/99/12/353779912.db2.gz NAIUZHDBMSMHNU-UHFFFAOYSA-N -1 3 236.271 0.482 20 0 BCADHM COc1ccnc(NCc2cnc(C)[n-]c2=O)n1 ZINC000343587637 353940224 /nfs/dbraw/zinc/94/02/24/353940224.db2.gz DKMRWYPCLCYURD-UHFFFAOYSA-N -1 3 247.258 0.901 20 0 BCADHM CC(C)c1nnc(C[N-]S(C)(=O)=O)s1 ZINC000343766480 353980202 /nfs/dbraw/zinc/98/02/02/353980202.db2.gz NPAFTTRTSKGOMC-UHFFFAOYSA-N -1 3 235.334 0.711 20 0 BCADHM CSCC[N-]S(=O)(=O)c1ccccn1 ZINC000130558062 363281385 /nfs/dbraw/zinc/28/13/85/363281385.db2.gz YIUNBMJFQOMITF-UHFFFAOYSA-N -1 3 232.330 0.723 20 0 BCADHM Cn1nncc1C(=O)Nc1ncccc1[O-] ZINC000343656258 353955062 /nfs/dbraw/zinc/95/50/62/353955062.db2.gz AHRDPLISISPCOQ-UHFFFAOYSA-N -1 3 219.204 0.168 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CC[C@H](O)C1 ZINC000343858874 354024480 /nfs/dbraw/zinc/02/44/80/354024480.db2.gz YDAHLSXZMRCMSS-SFYZADRCSA-N -1 3 222.244 0.887 20 0 BCADHM CO[C@@H](C)CN(C)C(=O)c1csc(=O)[n-]1 ZINC000343865486 354026387 /nfs/dbraw/zinc/02/63/87/354026387.db2.gz LVOPGYWKNVIRMB-LURJTMIESA-N -1 3 230.289 0.956 20 0 BCADHM Cc1nnc([C@@H](C)N=c2ncnc3[nH][n-]cc2-3)[nH]1 ZINC000343925154 354044041 /nfs/dbraw/zinc/04/40/41/354044041.db2.gz ARESLCSNRRUWGN-RXMQYKEDSA-N -1 3 244.262 0.326 20 0 BCADHM C[C@@H]1CC[C@H](CNC(=O)c2c[n-]nn2)C1 ZINC000230505729 363312536 /nfs/dbraw/zinc/31/25/36/363312536.db2.gz MALFCIFIIIPCOC-SFYZADRCSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@@H]1CC[C@H](CNC(=O)c2cnn[n-]2)C1 ZINC000230505729 363312541 /nfs/dbraw/zinc/31/25/41/363312541.db2.gz MALFCIFIIIPCOC-SFYZADRCSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@@H]1CC[C@H](CNC(=O)c2cn[n-]n2)C1 ZINC000230505729 363312543 /nfs/dbraw/zinc/31/25/43/363312543.db2.gz MALFCIFIIIPCOC-SFYZADRCSA-N -1 3 208.265 0.971 20 0 BCADHM C[C@H]1CC[C@H](Cn2cc(Cl)c(=O)[n-]c2=O)O1 ZINC000232024606 363360436 /nfs/dbraw/zinc/36/04/36/363360436.db2.gz CERUTQUUWFHFNL-NKWVEPMBSA-N -1 3 244.678 0.758 20 0 BCADHM O=C([O-])[C@H]1COCCN1CC1CCOCC1 ZINC000083876218 354252006 /nfs/dbraw/zinc/25/20/06/354252006.db2.gz SQYLESJXRWFPPJ-SNVBAGLBSA-N -1 3 229.276 0.198 20 0 BCADHM C[C@]1(NCc2n[nH]c(=O)[n-]2)CCO[C@H]1C1CC1 ZINC000344336621 354232112 /nfs/dbraw/zinc/23/21/12/354232112.db2.gz MUKMMLSXMSTPEC-ONGXEEELSA-N -1 3 238.291 0.558 20 0 BCADHM COc1ccnc(CNC(=O)c2c[n-]nn2)c1 ZINC000344613293 354325725 /nfs/dbraw/zinc/32/57/25/354325725.db2.gz DPNGQFLXHVQSCY-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1ccnc(CNC(=O)c2cnn[n-]2)c1 ZINC000344613293 354325726 /nfs/dbraw/zinc/32/57/26/354325726.db2.gz DPNGQFLXHVQSCY-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM COc1ccnc(CNC(=O)c2cn[n-]n2)c1 ZINC000344613293 354325730 /nfs/dbraw/zinc/32/57/30/354325730.db2.gz DPNGQFLXHVQSCY-UHFFFAOYSA-N -1 3 233.231 0.138 20 0 BCADHM CO[C@@](C)([C@@H](C)NC(=O)c1c[n-]nn1)C1CC1 ZINC000412614902 191300376 /nfs/dbraw/zinc/30/03/76/191300376.db2.gz QWOVHZWLLSPGIC-HQJQHLMTSA-N -1 3 238.291 0.738 20 0 BCADHM CO[C@@](C)([C@@H](C)NC(=O)c1cnn[n-]1)C1CC1 ZINC000412614902 191300378 /nfs/dbraw/zinc/30/03/78/191300378.db2.gz QWOVHZWLLSPGIC-HQJQHLMTSA-N -1 3 238.291 0.738 20 0 BCADHM CO[C@@](C)([C@@H](C)NC(=O)c1cn[n-]n1)C1CC1 ZINC000412614902 191300380 /nfs/dbraw/zinc/30/03/80/191300380.db2.gz QWOVHZWLLSPGIC-HQJQHLMTSA-N -1 3 238.291 0.738 20 0 BCADHM CC[C@H](NC(=O)c1c[n-]nn1)[C@@H](O)C(C)C ZINC000412760399 191310807 /nfs/dbraw/zinc/31/08/07/191310807.db2.gz WSXQHFOTJYQJHH-CBAPKCEASA-N -1 3 226.280 0.330 20 0 BCADHM CC[C@H](NC(=O)c1cnn[n-]1)[C@@H](O)C(C)C ZINC000412760399 191310808 /nfs/dbraw/zinc/31/08/08/191310808.db2.gz WSXQHFOTJYQJHH-CBAPKCEASA-N -1 3 226.280 0.330 20 0 BCADHM CC[C@H](NC(=O)c1cn[n-]n1)[C@@H](O)C(C)C ZINC000412760399 191310809 /nfs/dbraw/zinc/31/08/09/191310809.db2.gz WSXQHFOTJYQJHH-CBAPKCEASA-N -1 3 226.280 0.330 20 0 BCADHM C[C@H]1CSC[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627161464 363402270 /nfs/dbraw/zinc/40/22/70/363402270.db2.gz XCSPABXPQKXOPI-POYBYMJQSA-N -1 3 239.300 0.664 20 0 BCADHM CC[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000335810767 355495214 /nfs/dbraw/zinc/49/52/14/355495214.db2.gz KGBZLYVMHZYDBJ-NSHDSACASA-N -1 3 224.308 0.730 20 0 BCADHM Cn1[n-]c(CN2CCC3(CCC3)C2)nc1=O ZINC000335811133 355496222 /nfs/dbraw/zinc/49/62/22/355496222.db2.gz ZPBNJXQIWNWYJO-UHFFFAOYSA-N -1 3 222.292 0.484 20 0 BCADHM CNC(=O)CC(=O)Nc1c(C)cccc1[O-] ZINC000335882299 355671762 /nfs/dbraw/zinc/67/17/62/355671762.db2.gz JSSDIHUJQGJMFQ-UHFFFAOYSA-N -1 3 222.244 0.775 20 0 BCADHM COC[C@H](C)[N-]S(=O)(=O)c1conc1C ZINC000631645212 355715166 /nfs/dbraw/zinc/71/51/66/355715166.db2.gz MYYHLAZXSXUMOL-LURJTMIESA-N -1 3 234.277 0.296 20 0 BCADHM Cn1ncnc1C[S@](=O)c1cccc([O-])c1 ZINC000350511373 355715268 /nfs/dbraw/zinc/71/52/68/355715268.db2.gz OHROILATVJMQGU-INIZCTEOSA-N -1 3 237.284 0.829 20 0 BCADHM COc1nc(NC(=O)c2csc(=O)[nH]2)n[n-]1 ZINC000350701385 355743713 /nfs/dbraw/zinc/74/37/13/355743713.db2.gz NGBXVWYASJRUHB-UHFFFAOYSA-N -1 3 241.232 0.228 20 0 BCADHM COc1nnc(NC(=O)c2csc(=O)[nH]2)[n-]1 ZINC000350701385 355743717 /nfs/dbraw/zinc/74/37/17/355743717.db2.gz NGBXVWYASJRUHB-UHFFFAOYSA-N -1 3 241.232 0.228 20 0 BCADHM COc1n[n-]c(NC(=O)c2csc(=O)[nH]2)n1 ZINC000350701385 355743720 /nfs/dbraw/zinc/74/37/20/355743720.db2.gz NGBXVWYASJRUHB-UHFFFAOYSA-N -1 3 241.232 0.228 20 0 BCADHM NC(=O)CC1(NC(=O)c2cccc([O-])c2)CCC1 ZINC000357296320 181218740 /nfs/dbraw/zinc/21/87/40/181218740.db2.gz CBSAEEAOBKFMAZ-UHFFFAOYSA-N -1 3 248.282 0.920 20 0 BCADHM O=C(NCC[C@@H]1CCOC1)c1cc(=O)[n-]cn1 ZINC000626438675 355882992 /nfs/dbraw/zinc/88/29/92/355882992.db2.gz DWFFFBOGQYZWGF-MRVPVSSYSA-N -1 3 237.259 0.339 20 0 BCADHM O=C(NCC[C@H]1CCOC1)c1cc(=O)[n-]cn1 ZINC000626438676 355883116 /nfs/dbraw/zinc/88/31/16/355883116.db2.gz DWFFFBOGQYZWGF-QMMMGPOBSA-N -1 3 237.259 0.339 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)O)o1 ZINC000167355477 355985039 /nfs/dbraw/zinc/98/50/39/355985039.db2.gz OADWVGNWJVZGES-UHFFFAOYSA-N -1 3 233.289 0.637 20 0 BCADHM C/C=C\C[C@@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000351563899 356018921 /nfs/dbraw/zinc/01/89/21/356018921.db2.gz PPCQWZMPFIINOT-KZUAUGPASA-N -1 3 233.275 0.465 20 0 BCADHM CC[C@@H]1[C@H](C)CCN1Cc1nc(=O)n(C)[n-]1 ZINC000336078271 134073828 /nfs/dbraw/zinc/07/38/28/134073828.db2.gz TYJZJIRRNUCQNT-RKDXNWHRSA-N -1 3 224.308 0.729 20 0 BCADHM NC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000270325399 181251622 /nfs/dbraw/zinc/25/16/22/181251622.db2.gz ZJXOKAKPONBMPG-VIFPVBQESA-N -1 3 249.270 0.874 20 0 BCADHM NC(=O)N1CC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000357350481 181251633 /nfs/dbraw/zinc/25/16/33/181251633.db2.gz GIFXHIGIJHJTPQ-VIFPVBQESA-N -1 3 249.270 0.275 20 0 BCADHM NC(=O)N[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000336382373 181260095 /nfs/dbraw/zinc/26/00/95/181260095.db2.gz LYBYAUNBJNGSSF-SECBINFHSA-N -1 3 249.270 0.275 20 0 BCADHM O=C(NCC=CCO)c1cc(=O)[n-]c(C2CC2)n1 ZINC000617683793 356275455 /nfs/dbraw/zinc/27/54/55/356275455.db2.gz JBVFRZINCAZDPC-OWOJBTEDSA-N -1 3 249.270 0.338 20 0 BCADHM NC(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)F ZINC000278423140 181265223 /nfs/dbraw/zinc/26/52/23/181265223.db2.gz IXWDARPBOZCGPS-MRVPVSSYSA-N -1 3 242.225 0.464 20 0 BCADHM Cc1ccc([O-])c(C(=O)NC/C=C/CO)c1 ZINC000617691160 356286668 /nfs/dbraw/zinc/28/66/68/356286668.db2.gz OTKPYXOJBNTQEZ-NSCUHMNNSA-N -1 3 221.256 0.979 20 0 BCADHM COc1ccc(C(=O)NC/C=C\CO)c([O-])c1 ZINC000617691593 356286747 /nfs/dbraw/zinc/28/67/47/356286747.db2.gz XSGUWYHHCLFNHO-IHWYPQMZSA-N -1 3 237.255 0.679 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)NC/C=C/CO ZINC000617695431 356291407 /nfs/dbraw/zinc/29/14/07/356291407.db2.gz RDARJDNNYWFNOD-OWOJBTEDSA-N -1 3 239.246 0.739 20 0 BCADHM C[C@@H](Sc1n[n-]c(CO)n1)C(=O)C1CC1 ZINC000539709482 324854603 /nfs/dbraw/zinc/85/46/03/324854603.db2.gz PTLZQNMJFSDKAN-RXMQYKEDSA-N -1 3 227.289 0.757 20 0 BCADHM CCN1CCN(Cc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC000352668782 356400863 /nfs/dbraw/zinc/40/08/63/356400863.db2.gz UWMNMBILHLBPLN-MRVPVSSYSA-N -1 3 225.296 0.036 20 0 BCADHM NC(=O)[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000019839209 181280661 /nfs/dbraw/zinc/28/06/61/181280661.db2.gz CDXUXDSGZPNEOZ-JTQLQIEISA-N -1 3 248.282 0.730 20 0 BCADHM CO[C@H](C)CN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000627207995 363505423 /nfs/dbraw/zinc/50/54/23/363505423.db2.gz FJLKTLRVHLPSGH-SSDOTTSWSA-N -1 3 225.248 0.289 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CC1(F)F ZINC000450127622 202082345 /nfs/dbraw/zinc/08/23/45/202082345.db2.gz MCRMPRDHVFBBIO-BYPYZUCNSA-N -1 3 245.185 0.790 20 0 BCADHM C[C@H]1CC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000627213908 363509914 /nfs/dbraw/zinc/50/99/14/363509914.db2.gz TWRRZIJXBCCHML-BQBZGAKWSA-N -1 3 207.233 0.711 20 0 BCADHM CCN(CC(F)F)C(=O)c1cc(=O)[n-]cn1 ZINC000626444519 356702476 /nfs/dbraw/zinc/70/24/76/356702476.db2.gz GINSSFKEUBIWGD-UHFFFAOYSA-N -1 3 231.202 0.909 20 0 BCADHM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2cscn2)C1 ZINC000578189474 366373339 /nfs/dbraw/zinc/37/33/39/366373339.db2.gz SBXKMYOINLMOEZ-WRXNHJIOSA-N -1 3 248.329 0.335 20 0 BCADHM C[C@H]1CC[C@H](C(=O)[N-]c2nncn2C)O1 ZINC000163080479 202171963 /nfs/dbraw/zinc/17/19/63/202171963.db2.gz CLNBFBOIICMREX-NKWVEPMBSA-N -1 3 210.237 0.321 20 0 BCADHM C[C@H]1CC[C@@H](C(=O)[N-]c2nncn2C)O1 ZINC000163080716 202172055 /nfs/dbraw/zinc/17/20/55/202172055.db2.gz CLNBFBOIICMREX-BQBZGAKWSA-N -1 3 210.237 0.321 20 0 BCADHM CCc1nc(C(=O)Nc2nnc(OC)[n-]2)co1 ZINC000357595256 356839392 /nfs/dbraw/zinc/83/93/92/356839392.db2.gz GTQOGPHVEOVSFA-UHFFFAOYSA-N -1 3 237.219 0.616 20 0 BCADHM CCc1nc(C(=O)Nc2nc(OC)n[n-]2)co1 ZINC000357595256 356839398 /nfs/dbraw/zinc/83/93/98/356839398.db2.gz GTQOGPHVEOVSFA-UHFFFAOYSA-N -1 3 237.219 0.616 20 0 BCADHM O=C(Cc1cc[nH]n1)NCc1ncccc1[O-] ZINC000352502776 538723235 /nfs/dbraw/zinc/72/32/35/538723235.db2.gz YMPXEIOEJZWVRT-UHFFFAOYSA-N -1 3 232.243 0.369 20 0 BCADHM O=C(Nc1ncccc1[O-])c1ccc(=O)[nH]n1 ZINC000021901577 357053912 /nfs/dbraw/zinc/05/39/12/357053912.db2.gz PFYWFGDPAQRQPA-UHFFFAOYSA-N -1 3 232.199 0.535 20 0 BCADHM CC(C)N1CC(NC(=O)c2cc(=O)[n-]cn2)C1 ZINC000626516407 357164910 /nfs/dbraw/zinc/16/49/10/357164910.db2.gz NGFVDJXAISFKCQ-UHFFFAOYSA-N -1 3 236.275 0.005 20 0 BCADHM Cc1ccc([O-])c(CN[C@@H]2COCC[C@H]2O)n1 ZINC000631257964 357213444 /nfs/dbraw/zinc/21/34/44/357213444.db2.gz JUSXUTWQSWUYAW-ZYHUDNBSSA-N -1 3 238.287 0.335 20 0 BCADHM CC(CO)(CO)CNC(=O)c1ccccc1[O-] ZINC000393882375 357304743 /nfs/dbraw/zinc/30/47/43/357304743.db2.gz RZSMLTJUYGFAMI-UHFFFAOYSA-N -1 3 239.271 0.113 20 0 BCADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1[n-]nnc1C(N)=O ZINC000582472673 357314362 /nfs/dbraw/zinc/31/43/62/357314362.db2.gz PVCKJZCXPXRYAN-GPXNAGAYSA-N -1 3 237.263 0.278 20 0 BCADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1nn[n-]c1C(N)=O ZINC000582472673 357314366 /nfs/dbraw/zinc/31/43/66/357314366.db2.gz PVCKJZCXPXRYAN-GPXNAGAYSA-N -1 3 237.263 0.278 20 0 BCADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1n[n-]nc1C(N)=O ZINC000582472673 357314369 /nfs/dbraw/zinc/31/43/69/357314369.db2.gz PVCKJZCXPXRYAN-GPXNAGAYSA-N -1 3 237.263 0.278 20 0 BCADHM CC1(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)CCC1 ZINC000582643369 357354957 /nfs/dbraw/zinc/35/49/57/357354957.db2.gz ATOBOMHTXVZRID-SECBINFHSA-N -1 3 237.303 0.413 20 0 BCADHM CN(Cc1cnnn1C)C(C)(C)C(=O)[O-] ZINC000394886437 357386516 /nfs/dbraw/zinc/38/65/16/357386516.db2.gz WYYXSXUYEUPGRC-UHFFFAOYSA-N -1 3 212.253 0.110 20 0 BCADHM CCNC(=O)CN[C@H](C(=O)[O-])[C@@H](C)CC ZINC000582967874 357446956 /nfs/dbraw/zinc/44/69/56/357446956.db2.gz JMFVOPWMPLNSOH-CBAPKCEASA-N -1 3 216.281 0.211 20 0 BCADHM CO[C@@H]1COC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000583026828 357463124 /nfs/dbraw/zinc/46/31/24/357463124.db2.gz OLAWQRXKCBJBHH-GHMZBOCLSA-N -1 3 237.255 0.536 20 0 BCADHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000231686300 357620631 /nfs/dbraw/zinc/62/06/31/357620631.db2.gz HXCFBTMNWGDUIP-JGVFFNPUSA-N -1 3 245.304 0.256 20 0 BCADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1c[n-]nn1 ZINC000189323368 357632035 /nfs/dbraw/zinc/63/20/35/357632035.db2.gz YQFLLMDRZCJJSR-BHNWBGBOSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cnn[n-]1 ZINC000189323368 357632039 /nfs/dbraw/zinc/63/20/39/357632039.db2.gz YQFLLMDRZCJJSR-BHNWBGBOSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cn[n-]n1 ZINC000189323368 357632043 /nfs/dbraw/zinc/63/20/43/357632043.db2.gz YQFLLMDRZCJJSR-BHNWBGBOSA-N -1 3 222.248 0.102 20 0 BCADHM COC(=O)C[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000583267237 357768231 /nfs/dbraw/zinc/76/82/31/357768231.db2.gz ONAXWAGWRKLXNQ-SSDOTTSWSA-N -1 3 247.272 0.510 20 0 BCADHM NC(=O)c1nn[n-]c1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000583308464 357890810 /nfs/dbraw/zinc/89/08/10/357890810.db2.gz HIBRWCKVHRAVKD-VQVTYTSYSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1[n-]nnc1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000583308464 357890813 /nfs/dbraw/zinc/89/08/13/357890813.db2.gz HIBRWCKVHRAVKD-VQVTYTSYSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)c1n[n-]nc1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000583308464 357890818 /nfs/dbraw/zinc/89/08/18/357890818.db2.gz HIBRWCKVHRAVKD-VQVTYTSYSA-N -1 3 249.274 0.278 20 0 BCADHM NC(=O)CCCNC(=O)c1c([O-])cccc1O ZINC000220225663 358028841 /nfs/dbraw/zinc/02/88/41/358028841.db2.gz WZZJEXSVUUGJPD-UHFFFAOYSA-N -1 3 238.243 0.093 20 0 BCADHM O=C([O-])[C@H](C1CC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085540633 491123352 /nfs/dbraw/zinc/12/33/52/491123352.db2.gz YKSUGTZTSFLVIY-AEJSXWLSSA-N -1 3 211.261 0.713 20 0 BCADHM O=c1cc(-c2noc(C[C@@H]3CCCO3)n2)nc[n-]1 ZINC000351371674 358189012 /nfs/dbraw/zinc/18/90/12/358189012.db2.gz ODIJGYBXEPYYSD-ZETCQYMHSA-N -1 3 248.242 0.954 20 0 BCADHM CCC1CN(C(=O)c2cc(C)nc(=O)[n-]2)C1 ZINC000331877794 491123664 /nfs/dbraw/zinc/12/36/64/491123664.db2.gz BTSQFKGVMHMZDQ-UHFFFAOYSA-N -1 3 221.260 0.973 20 0 BCADHM C[C@H](CCCCO)N=c1ncnc2[nH][n-]cc1-2 ZINC000450642814 202223108 /nfs/dbraw/zinc/22/31/08/202223108.db2.gz IYJHRTWFJPELLJ-MRVPVSSYSA-N -1 3 235.291 0.689 20 0 BCADHM C[C@@H](CCCCO)N=c1ncnc2[nH][n-]cc1-2 ZINC000450642832 202223570 /nfs/dbraw/zinc/22/35/70/202223570.db2.gz IYJHRTWFJPELLJ-QMMMGPOBSA-N -1 3 235.291 0.689 20 0 BCADHM CC[C@@H](N)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000040484143 358237503 /nfs/dbraw/zinc/23/75/03/358237503.db2.gz LDHRSOCDBCTLHN-SNVBAGLBSA-N -1 3 236.271 0.842 20 0 BCADHM COC[C@H](O)CCNc1ccncc1C(=O)[O-] ZINC000230181270 358395439 /nfs/dbraw/zinc/39/54/39/358395439.db2.gz RDIGBVPNSXCRSM-MRVPVSSYSA-N -1 3 240.259 0.589 20 0 BCADHM CC(C)Cn1ccnc1CNC(=O)c1c[n-]nn1 ZINC000130924534 358653592 /nfs/dbraw/zinc/65/35/92/358653592.db2.gz TYZOACQMWFFQPO-UHFFFAOYSA-N -1 3 248.290 0.587 20 0 BCADHM CC(C)Cn1ccnc1CNC(=O)c1cn[n-]n1 ZINC000130924534 358653595 /nfs/dbraw/zinc/65/35/95/358653595.db2.gz TYZOACQMWFFQPO-UHFFFAOYSA-N -1 3 248.290 0.587 20 0 BCADHM CC(C)Cn1ccnc1CNC(=O)c1cnn[n-]1 ZINC000130924534 358653597 /nfs/dbraw/zinc/65/35/97/358653597.db2.gz TYZOACQMWFFQPO-UHFFFAOYSA-N -1 3 248.290 0.587 20 0 BCADHM CCn1cc(NC(=O)c2c[n-]nn2)ccc1=O ZINC000048938772 358662795 /nfs/dbraw/zinc/66/27/95/358662795.db2.gz KMZXAMPLNQCLLP-UHFFFAOYSA-N -1 3 233.231 0.239 20 0 BCADHM CCn1cc(NC(=O)c2cnn[n-]2)ccc1=O ZINC000048938772 358662796 /nfs/dbraw/zinc/66/27/96/358662796.db2.gz KMZXAMPLNQCLLP-UHFFFAOYSA-N -1 3 233.231 0.239 20 0 BCADHM CCn1cc(NC(=O)c2cn[n-]n2)ccc1=O ZINC000048938772 358662797 /nfs/dbraw/zinc/66/27/97/358662797.db2.gz KMZXAMPLNQCLLP-UHFFFAOYSA-N -1 3 233.231 0.239 20 0 BCADHM COc1ccc([O-])c(C(=O)N[C@H]2CCOC2)c1 ZINC000131555902 358681594 /nfs/dbraw/zinc/68/15/94/358681594.db2.gz PRTVYBFYAIUVQW-QMMMGPOBSA-N -1 3 237.255 0.920 20 0 BCADHM C/C=C/C=C/C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000379517038 358939704 /nfs/dbraw/zinc/93/97/04/358939704.db2.gz KKCJPZIPCWQUCT-YTXTXJHMSA-N -1 3 240.303 0.594 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CCCCO1)c1c[nH]cn1 ZINC000069948878 359036387 /nfs/dbraw/zinc/03/63/87/359036387.db2.gz HLJHFRKBQBILKC-QMMMGPOBSA-N -1 3 245.304 0.257 20 0 BCADHM Cc1csc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2)c1 ZINC000632430455 359175895 /nfs/dbraw/zinc/17/58/95/359175895.db2.gz BVQOCKWEIRNTKD-OCAPTIKFSA-N -1 3 247.341 0.858 20 0 BCADHM CN(CCCCCO)C(=O)c1cc(=O)[n-]cn1 ZINC000626707141 359512417 /nfs/dbraw/zinc/51/24/17/359512417.db2.gz WJZFYISDZMTUSZ-UHFFFAOYSA-N -1 3 239.275 0.417 20 0 BCADHM CC1(C)CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000626710036 359518620 /nfs/dbraw/zinc/51/86/20/359518620.db2.gz VRHSVHQWVDDVJO-UHFFFAOYSA-N -1 3 207.233 0.664 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)N1CCNC(C)(C)C1 ZINC000580465684 359569882 /nfs/dbraw/zinc/56/98/82/359569882.db2.gz SFXRDZMYHANALG-VIFPVBQESA-N -1 3 242.319 0.554 20 0 BCADHM CC(C)(O)C(C)(C)CN=c1ncnc2[nH][n-]cc1-2 ZINC000450893537 202300353 /nfs/dbraw/zinc/30/03/53/202300353.db2.gz CDTFKTGPOPJPNH-UHFFFAOYSA-N -1 3 249.318 0.935 20 0 BCADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](C)CO)c1 ZINC000451222235 202381824 /nfs/dbraw/zinc/38/18/24/202381824.db2.gz LIGQFIIXSFEYOW-MRVPVSSYSA-N -1 3 249.357 0.963 20 0 BCADHM O=C(NCCc1ccncc1)c1c[n-]nn1 ZINC000087602161 359919351 /nfs/dbraw/zinc/91/93/51/359919351.db2.gz SRJRAJFFQLGJIC-UHFFFAOYSA-N -1 3 217.232 0.172 20 0 BCADHM O=C(NCCc1ccncc1)c1cnn[n-]1 ZINC000087602161 359919362 /nfs/dbraw/zinc/91/93/62/359919362.db2.gz SRJRAJFFQLGJIC-UHFFFAOYSA-N -1 3 217.232 0.172 20 0 BCADHM O=C(NCCc1ccncc1)c1cn[n-]n1 ZINC000087602161 359919364 /nfs/dbraw/zinc/91/93/64/359919364.db2.gz SRJRAJFFQLGJIC-UHFFFAOYSA-N -1 3 217.232 0.172 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C1)c1cccc([O-])c1 ZINC000612633513 359951293 /nfs/dbraw/zinc/95/12/93/359951293.db2.gz WXKKGMGAIPKDSR-WAAGHKOSSA-N -1 3 207.229 0.645 20 0 BCADHM CC(=O)N1CCCN(Cc2ncccc2[O-])CC1 ZINC000578919990 366675852 /nfs/dbraw/zinc/67/58/52/366675852.db2.gz QQAGCIBALQMALP-UHFFFAOYSA-N -1 3 249.314 0.841 20 0 BCADHM O=C(c1ccccc1[O-])N1CC(O)(C2CC2)C1 ZINC000089664060 360032308 /nfs/dbraw/zinc/03/23/08/360032308.db2.gz RUVDYUPRABOKAS-UHFFFAOYSA-N -1 3 233.267 0.989 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC(O)(C2CC2)C1 ZINC000089663832 360032493 /nfs/dbraw/zinc/03/24/93/360032493.db2.gz GCLKRNXJOVPBQN-UHFFFAOYSA-N -1 3 233.267 0.989 20 0 BCADHM CC[C@@H]1C[C@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000626840954 360039219 /nfs/dbraw/zinc/03/92/19/360039219.db2.gz MNPCKSVJRUGYMQ-RNFRBKRXSA-N -1 3 207.233 0.711 20 0 BCADHM CN(C[C@H]1CCCN1C)C(=O)c1ncccc1[O-] ZINC000092632748 360185978 /nfs/dbraw/zinc/18/59/78/360185978.db2.gz BZUDKWOTZVABBK-SNVBAGLBSA-N -1 3 249.314 0.953 20 0 BCADHM NC(=O)Nc1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000095041578 360333782 /nfs/dbraw/zinc/33/37/82/360333782.db2.gz JVYYKBRTVAQEQM-UHFFFAOYSA-N -1 3 246.230 0.548 20 0 BCADHM NC(=O)c1cc(C(=O)Nc2ncccc2[O-])c[nH]1 ZINC000613182109 360490696 /nfs/dbraw/zinc/49/06/96/360490696.db2.gz VBJZCOKTUXYOFH-UHFFFAOYSA-N -1 3 246.226 0.467 20 0 BCADHM C[C@@H](O)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000613185653 360496131 /nfs/dbraw/zinc/49/61/31/360496131.db2.gz IXWBNLSRSIHSLQ-ZCFIWIBFSA-N -1 3 235.243 0.379 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c([O-])c1 ZINC000628777381 360644796 /nfs/dbraw/zinc/64/47/96/360644796.db2.gz KDYXRXDRALXASK-KYZUINATSA-N -1 3 248.282 0.694 20 0 BCADHM CC(C)CC[C@H](CO)NC(=O)c1c[n-]nn1 ZINC000628706883 360619093 /nfs/dbraw/zinc/61/90/93/360619093.db2.gz WKJKGROANUKSMC-MRVPVSSYSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)CC[C@H](CO)NC(=O)c1cnn[n-]1 ZINC000628706883 360619095 /nfs/dbraw/zinc/61/90/95/360619095.db2.gz WKJKGROANUKSMC-MRVPVSSYSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)CC[C@H](CO)NC(=O)c1cn[n-]n1 ZINC000628706883 360619097 /nfs/dbraw/zinc/61/90/97/360619097.db2.gz WKJKGROANUKSMC-MRVPVSSYSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)CC[C@@H](CO)NC(=O)c1c[n-]nn1 ZINC000628706884 360619231 /nfs/dbraw/zinc/61/92/31/360619231.db2.gz WKJKGROANUKSMC-QMMMGPOBSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)CC[C@@H](CO)NC(=O)c1cnn[n-]1 ZINC000628706884 360619234 /nfs/dbraw/zinc/61/92/34/360619234.db2.gz WKJKGROANUKSMC-QMMMGPOBSA-N -1 3 226.280 0.332 20 0 BCADHM CC(C)CC[C@@H](CO)NC(=O)c1cn[n-]n1 ZINC000628706884 360619237 /nfs/dbraw/zinc/61/92/37/360619237.db2.gz WKJKGROANUKSMC-QMMMGPOBSA-N -1 3 226.280 0.332 20 0 BCADHM COc1nc(NC(=O)[C@@H]2CC[C@H](OC)C2)n[n-]1 ZINC000613196959 360724436 /nfs/dbraw/zinc/72/44/36/360724436.db2.gz XLZVTEMSELIBQT-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2CC[C@H](OC)C2)[n-]1 ZINC000613196959 360724443 /nfs/dbraw/zinc/72/44/43/360724443.db2.gz XLZVTEMSELIBQT-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2CC[C@H](OC)C2)n1 ZINC000613196959 360724452 /nfs/dbraw/zinc/72/44/52/360724452.db2.gz XLZVTEMSELIBQT-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)Cc2cnccc2C)[n-]1 ZINC000613195636 360700001 /nfs/dbraw/zinc/70/00/01/360700001.db2.gz JVNWKYYSOGOHOM-UHFFFAOYSA-N -1 3 247.258 0.698 20 0 BCADHM COc1nc(NC(=O)Cc2cnccc2C)n[n-]1 ZINC000613195636 360700006 /nfs/dbraw/zinc/70/00/06/360700006.db2.gz JVNWKYYSOGOHOM-UHFFFAOYSA-N -1 3 247.258 0.698 20 0 BCADHM COc1n[n-]c(NC(=O)Cc2cnccc2C)n1 ZINC000613195636 360700010 /nfs/dbraw/zinc/70/00/10/360700010.db2.gz JVNWKYYSOGOHOM-UHFFFAOYSA-N -1 3 247.258 0.698 20 0 BCADHM Cc1cccc(C(=O)N[C@H]2COCCC2=O)c1[O-] ZINC000628868663 360713463 /nfs/dbraw/zinc/71/34/63/360713463.db2.gz ACFBXEXZSWYRHM-JTQLQIEISA-N -1 3 249.266 0.788 20 0 BCADHM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cc(=O)[n-]cn1 ZINC000629119112 360884393 /nfs/dbraw/zinc/88/43/93/360884393.db2.gz HOAFGTMZULLARN-WPRPVWTQSA-N -1 3 249.270 0.480 20 0 BCADHM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cc(=O)[n-]cn1 ZINC000629119110 360884508 /nfs/dbraw/zinc/88/45/08/360884508.db2.gz HOAFGTMZULLARN-SCZZXKLOSA-N -1 3 249.270 0.480 20 0 BCADHM O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1c[n-]nn1 ZINC000629131429 360895387 /nfs/dbraw/zinc/89/53/87/360895387.db2.gz LGBBNJAXGRIDEB-VXNVDRBHSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cnn[n-]1 ZINC000629131429 360895390 /nfs/dbraw/zinc/89/53/90/360895390.db2.gz LGBBNJAXGRIDEB-VXNVDRBHSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cn[n-]n1 ZINC000629131429 360895394 /nfs/dbraw/zinc/89/53/94/360895394.db2.gz LGBBNJAXGRIDEB-VXNVDRBHSA-N -1 3 222.248 0.102 20 0 BCADHM COC[C@]1(C)CN([C@H](C(=O)[O-])C2CC2)CCO1 ZINC000629379393 361027801 /nfs/dbraw/zinc/02/78/01/361027801.db2.gz OPDSLYHINONPGV-JQWIXIFHSA-N -1 3 243.303 0.587 20 0 BCADHM CCC[C@@H](C(=O)[O-])N1CCO[C@](C)(COC)C1 ZINC000629378904 361027891 /nfs/dbraw/zinc/02/78/91/361027891.db2.gz KXEQWGNVCAAUFL-JQWIXIFHSA-N -1 3 245.319 0.977 20 0 BCADHM O=C([O-])CNC(=O)CN1CCCC2(CC2)CC1 ZINC000629506356 361101300 /nfs/dbraw/zinc/10/13/00/361101300.db2.gz WUJMPEDWAKJUSP-UHFFFAOYSA-N -1 3 240.303 0.453 20 0 BCADHM CC(C)(F)C[N-]S(=O)(=O)C1COC1 ZINC000632608930 361165990 /nfs/dbraw/zinc/16/59/90/361165990.db2.gz MPAQCWMMJWPMNU-UHFFFAOYSA-N -1 3 211.258 0.053 20 0 BCADHM C[C@@H]1C[C@H](NC(=O)Cc2cncc([O-])c2)CO1 ZINC000575002090 361288446 /nfs/dbraw/zinc/28/84/46/361288446.db2.gz XFJOHPXOFUICRM-SCZZXKLOSA-N -1 3 236.271 0.623 20 0 BCADHM O=C(NCc1ncccc1[O-])[C@H]1CSCN1 ZINC000579007877 366692751 /nfs/dbraw/zinc/69/27/51/366692751.db2.gz CSLKVCTWPLYWOQ-MRVPVSSYSA-N -1 3 239.300 0.066 20 0 BCADHM O=c1cc(CN2C[C@H]3C[C@@]3(O)C2)nc(C2CC2)[n-]1 ZINC000640486152 361270962 /nfs/dbraw/zinc/27/09/62/361270962.db2.gz KTODQQOIXWMCFG-NOZJJQNGSA-N -1 3 247.298 0.626 20 0 BCADHM [O-]c1cccnc1CN(CCO)C1CC1 ZINC000579058500 366702121 /nfs/dbraw/zinc/70/21/21/366702121.db2.gz ZEKKCVXLTQIZJL-UHFFFAOYSA-N -1 3 208.261 0.744 20 0 BCADHM OC[C@@H](CC(F)F)N=c1ncnc2[nH][n-]cc1-2 ZINC000428680887 201036669 /nfs/dbraw/zinc/03/66/69/201036669.db2.gz MCRINACOXKOBTE-RXMQYKEDSA-N -1 3 243.217 0.154 20 0 BCADHM CCOC1CN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000622070113 370692073 /nfs/dbraw/zinc/69/20/73/370692073.db2.gz IOXWDDREBVRDSQ-UHFFFAOYSA-N -1 3 240.234 0.787 20 0 BCADHM CCCCCS(=O)(=O)[N-]CC(=O)OCC ZINC000181408031 366808544 /nfs/dbraw/zinc/80/85/44/366808544.db2.gz QDTBFUFLKDDNDW-UHFFFAOYSA-N -1 3 237.321 0.659 20 0 BCADHM C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1ccccn1 ZINC000632630177 361425748 /nfs/dbraw/zinc/42/57/48/361425748.db2.gz HEPWGSCYUFQFKY-YUMQZZPRSA-N -1 3 212.274 0.768 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1CCC(=O)C1 ZINC000579478374 366823580 /nfs/dbraw/zinc/82/35/80/366823580.db2.gz YUZJFPBIEZRHOD-ZETCQYMHSA-N -1 3 220.228 0.517 20 0 BCADHM C[C@H](Cc1ccc(O)cc1)NC(=O)c1c[n-]nn1 ZINC000152380336 201198581 /nfs/dbraw/zinc/19/85/81/201198581.db2.gz HYJNKHPDOOTVID-MRVPVSSYSA-N -1 3 246.270 0.871 20 0 BCADHM C[C@H](Cc1ccc(O)cc1)NC(=O)c1cnn[n-]1 ZINC000152380336 201198583 /nfs/dbraw/zinc/19/85/83/201198583.db2.gz HYJNKHPDOOTVID-MRVPVSSYSA-N -1 3 246.270 0.871 20 0 BCADHM C[C@H](Cc1ccc(O)cc1)NC(=O)c1cn[n-]n1 ZINC000152380336 201198586 /nfs/dbraw/zinc/19/85/86/201198586.db2.gz HYJNKHPDOOTVID-MRVPVSSYSA-N -1 3 246.270 0.871 20 0 BCADHM CC(=O)c1ccc(C(=O)N[C@H](C)CO)cc1[O-] ZINC000436558048 201331287 /nfs/dbraw/zinc/33/12/87/201331287.db2.gz SZHRYKKSFPFFSF-SSDOTTSWSA-N -1 3 237.255 0.705 20 0 BCADHM CN(Cc1nnnn1C)C(=O)c1ccccc1[O-] ZINC000436588381 201332085 /nfs/dbraw/zinc/33/20/85/201332085.db2.gz STDUBWHPLGZFIR-UHFFFAOYSA-N -1 3 247.258 0.188 20 0 BCADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](O)C2)cc1[O-] ZINC000436666062 201333096 /nfs/dbraw/zinc/33/30/96/201333096.db2.gz OQMCZNRCBHKSDW-SNVBAGLBSA-N -1 3 249.266 0.802 20 0 BCADHM O=C(NCCN1CCC1)c1c([O-])cccc1O ZINC000436645563 201334841 /nfs/dbraw/zinc/33/48/41/201334841.db2.gz DDKNFIDRQRMOCV-UHFFFAOYSA-N -1 3 236.271 0.533 20 0 BCADHM CNC(=O)Cc1noc(-c2ccccc2[O-])n1 ZINC000436884875 201338638 /nfs/dbraw/zinc/33/86/38/201338638.db2.gz FLVCFJHHJWATDZ-UHFFFAOYSA-N -1 3 233.227 0.731 20 0 BCADHM Cn1ncc2c1ncc(C(=O)NCCF)c2[O-] ZINC000437694235 201370627 /nfs/dbraw/zinc/37/06/27/201370627.db2.gz MXVFYCVWMCUSKC-UHFFFAOYSA-N -1 3 238.222 0.373 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@H](O)C(C)C ZINC000632017555 363894128 /nfs/dbraw/zinc/89/41/28/363894128.db2.gz CEKQATASEJTVCM-QMMMGPOBSA-N -1 3 248.304 0.278 20 0 BCADHM COC[C@@H](OC)C(=O)[N-]c1nncn1C1CC1 ZINC000614582618 363895455 /nfs/dbraw/zinc/89/54/55/363895455.db2.gz PCQFNHPIZLEBLJ-MRVPVSSYSA-N -1 3 240.263 0.213 20 0 BCADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCN1 ZINC000614734869 363944098 /nfs/dbraw/zinc/94/40/98/363944098.db2.gz NOIINDVDVQSGPJ-UHFFFAOYSA-N -1 3 248.286 0.800 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1CCCCN1 ZINC000614737258 363947395 /nfs/dbraw/zinc/94/73/95/363947395.db2.gz XNDXPZKONAYMNG-UHFFFAOYSA-N -1 3 213.262 0.589 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H]1CC12CCC2 ZINC000614921014 364094989 /nfs/dbraw/zinc/09/49/89/364094989.db2.gz ABXGFGHROYEMQW-JTQLQIEISA-N -1 3 249.314 0.949 20 0 BCADHM C[C@@H]1C[C@@H](N=c2ncnc3[nH][n-]cc2-3)[C@@H](C)O1 ZINC000630386236 364099372 /nfs/dbraw/zinc/09/93/72/364099372.db2.gz TXSCZFIXUFRNIC-ZXFLCMHBSA-N -1 3 233.275 0.704 20 0 BCADHM O=C(N[C@H]1C[C@@H](O)C1)c1cc(F)c[n-]c1=O ZINC000622096482 370706388 /nfs/dbraw/zinc/70/63/88/370706388.db2.gz TZOVHMRMTCBQKQ-KNVOCYPGSA-N -1 3 226.207 0.179 20 0 BCADHM CC[C@@H](O)CNC(=O)c1cc(F)c[n-]c1=O ZINC000622110672 370716336 /nfs/dbraw/zinc/71/63/36/370716336.db2.gz CAGSUEPWDCLMSE-SSDOTTSWSA-N -1 3 228.223 0.427 20 0 BCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H]1CC12CC2 ZINC000614930801 364191044 /nfs/dbraw/zinc/19/10/44/364191044.db2.gz NENCURFOEGRMNJ-VIFPVBQESA-N -1 3 235.287 0.559 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1CCSC1 ZINC000614990936 364277608 /nfs/dbraw/zinc/27/76/08/364277608.db2.gz KMSHMMSOXCUABW-RXMQYKEDSA-N -1 3 238.276 0.144 20 0 BCADHM CC1=C(C(=O)[N-]c2nnc3[nH]cnn23)CCC1 ZINC000614990539 364279243 /nfs/dbraw/zinc/27/92/43/364279243.db2.gz CQZTZPLDEDBSIE-UHFFFAOYSA-N -1 3 232.247 0.891 20 0 BCADHM O=C(CCC(F)(F)F)[N-]c1nnc2[nH]cnn12 ZINC000614992280 364284418 /nfs/dbraw/zinc/28/44/18/364284418.db2.gz ZVVNDDVINXONHV-UHFFFAOYSA-N -1 3 248.168 0.733 20 0 BCADHM O=C(CCCF)[N-]c1nnc2[nH]cnn12 ZINC000614993529 364285741 /nfs/dbraw/zinc/28/57/41/364285741.db2.gz IDKWQGAJGWQOAH-UHFFFAOYSA-N -1 3 212.188 0.141 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614993950 364287308 /nfs/dbraw/zinc/28/73/08/364287308.db2.gz LXDBAZWUQVCVSX-WHFBIAKZSA-N -1 3 206.209 0.047 20 0 BCADHM CCC[C@@H](OC)C(=O)[N-]c1nnc2[nH]cnn12 ZINC000614994878 364288865 /nfs/dbraw/zinc/28/88/65/364288865.db2.gz VIXTUSFFNXXOPI-ZCFIWIBFSA-N -1 3 238.251 0.206 20 0 BCADHM COC(C)(C)CC(=O)[N-]c1nnc2[nH]cnn12 ZINC000614994218 364289626 /nfs/dbraw/zinc/28/96/26/364289626.db2.gz OSYFXDCEBQULQK-UHFFFAOYSA-N -1 3 238.251 0.206 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C1(CCF)CC1 ZINC000614994632 364290994 /nfs/dbraw/zinc/29/09/94/364290994.db2.gz UCWIRXCDTVMQKE-UHFFFAOYSA-N -1 3 238.226 0.531 20 0 BCADHM C[C@H](CCO)NC(=O)c1cccc([O-])c1 ZINC000133906656 364377578 /nfs/dbraw/zinc/37/75/78/364377578.db2.gz AWNBUMMAWDWBHB-MRVPVSSYSA-N -1 3 209.245 0.893 20 0 BCADHM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCCN1 ZINC000044625094 541386641 /nfs/dbraw/zinc/38/66/41/541386641.db2.gz JSVTTZDOCZSANL-DTWKUNHWSA-N -1 3 228.292 0.450 20 0 BCADHM C[C@@H](O)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574463508 365069467 /nfs/dbraw/zinc/06/94/67/365069467.db2.gz QLVSDSPCRIBULZ-ZCFIWIBFSA-N -1 3 237.259 0.170 20 0 BCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccn2)CO1 ZINC000574317545 365035042 /nfs/dbraw/zinc/03/50/42/365035042.db2.gz WTDPIVHUAAEGBX-RKDXNWHRSA-N -1 3 242.300 0.537 20 0 BCADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccn2)CO1 ZINC000574317543 365035264 /nfs/dbraw/zinc/03/52/64/365035264.db2.gz WTDPIVHUAAEGBX-IUCAKERBSA-N -1 3 242.300 0.537 20 0 BCADHM C[C@@H](CCO)CNC(=O)Cc1cncc([O-])c1 ZINC000574650694 365112631 /nfs/dbraw/zinc/11/26/31/365112631.db2.gz HRUBDFMYFKAZIP-VIFPVBQESA-N -1 3 238.287 0.464 20 0 BCADHM CCC(CC)CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354576496 541486897 /nfs/dbraw/zinc/48/68/97/541486897.db2.gz LZPIXCCFBRJVJP-UHFFFAOYSA-N -1 3 234.307 0.987 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1C[C@@H]1C ZINC000176052797 541500948 /nfs/dbraw/zinc/50/09/48/541500948.db2.gz HHZOEPIRTGHLMR-UJURSFKZSA-N -1 3 223.232 0.791 20 0 BCADHM C[C@H](C(=O)NCc1ncccc1[O-])N1CC(C)C1 ZINC000581141488 367276269 /nfs/dbraw/zinc/27/62/69/367276269.db2.gz VZQCDLZRTIUIPP-SNVBAGLBSA-N -1 3 249.314 0.744 20 0 BCADHM CN(c1nc2[nH][n-]cc-2c(=N)n1)C1CCC1 ZINC000381088327 367348636 /nfs/dbraw/zinc/34/86/36/367348636.db2.gz AATFOXNTNVAOOY-UHFFFAOYSA-N -1 3 218.264 0.706 20 0 BCADHM COC[C@](C)(O)CNC(=O)c1cccc([O-])c1 ZINC000382573554 367542053 /nfs/dbraw/zinc/54/20/53/367542053.db2.gz RWFPRZYBDKROJT-GFCCVEGCSA-N -1 3 239.271 0.519 20 0 BCADHM CC[C@H](C)[C@H](NC(=O)[C@@H](C)NC1CC1)C(=O)[O-] ZINC000382976749 367578063 /nfs/dbraw/zinc/57/80/63/367578063.db2.gz SRUFPPBOWDLIQA-XKSSXDPKSA-N -1 3 242.319 0.742 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)n1 ZINC000581557253 367588101 /nfs/dbraw/zinc/58/81/01/367588101.db2.gz FXZXTGJQRGQVMH-JGVFFNPUSA-N -1 3 249.270 0.546 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@@H]2C(N)=O)n1 ZINC000581557255 367588899 /nfs/dbraw/zinc/58/88/99/367588899.db2.gz FXZXTGJQRGQVMH-YUMQZZPRSA-N -1 3 249.270 0.546 20 0 BCADHM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000385057724 367780554 /nfs/dbraw/zinc/78/05/54/367780554.db2.gz UHUVQPMDPNRKRO-ZETCQYMHSA-N -1 3 247.320 0.238 20 0 BCADHM CC[C@H](NC(=O)c1c([O-])cccc1O)[C@H](C)O ZINC000387103635 368050664 /nfs/dbraw/zinc/05/06/64/368050664.db2.gz HREMGZAJQUJBAM-YUMQZZPRSA-N -1 3 239.271 0.987 20 0 BCADHM CC[C@H](NC(=O)c1ccc(O)cc1[O-])[C@H](C)O ZINC000387223467 368116191 /nfs/dbraw/zinc/11/61/91/368116191.db2.gz ZVPATSRCZYTWPV-XVKPBYJWSA-N -1 3 239.271 0.987 20 0 BCADHM COc1cc(CN(C)[C@H](C)C(=O)[O-])ccn1 ZINC000566359488 326036967 /nfs/dbraw/zinc/03/69/67/326036967.db2.gz VFWHOYGELUFULG-MRVPVSSYSA-N -1 3 224.260 0.995 20 0 BCADHM C[C@H](CN(C)C(=O)[C@@H]1C[C@H](C)CCN1)C(=O)[O-] ZINC000387174748 368093793 /nfs/dbraw/zinc/09/37/93/368093793.db2.gz VPESIKKAWGVZMR-BBBLOLIVSA-N -1 3 242.319 0.554 20 0 BCADHM Cc1nc(C)c(CNC(=O)c2cc(=O)[n-]cn2)o1 ZINC000627277794 368141053 /nfs/dbraw/zinc/14/10/53/368141053.db2.gz YXYHTBUFBYJVPZ-UHFFFAOYSA-N -1 3 248.242 0.717 20 0 BCADHM NC(=O)[C@H]1CCCN1Cc1ncccc1[O-] ZINC000566429135 326045796 /nfs/dbraw/zinc/04/57/96/326045796.db2.gz ORAVNJQWYPEDQK-SECBINFHSA-N -1 3 221.260 0.237 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1CCOC1 ZINC000615765759 368290837 /nfs/dbraw/zinc/29/08/37/368290837.db2.gz ZVUPVRJGSJWVOH-UHFFFAOYSA-N -1 3 200.219 0.279 20 0 BCADHM CCC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000060882479 368555154 /nfs/dbraw/zinc/55/51/54/368555154.db2.gz DJMHGSQHFRKMAJ-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM CO[N-]C(=O)[C@@H]1CCCN(c2ccccn2)C1 ZINC000063727133 368593935 /nfs/dbraw/zinc/59/39/35/368593935.db2.gz SSICBMRZNNVJFT-SNVBAGLBSA-N -1 3 235.287 0.976 20 0 BCADHM Cc1cc([N-]C(=O)[C@H](C)N2CC[C@@H](O)C2)on1 ZINC000074324776 368837485 /nfs/dbraw/zinc/83/74/85/368837485.db2.gz HWVISHWAYOHEPF-DTWKUNHWSA-N -1 3 239.275 0.377 20 0 BCADHM O=C([O-])[C@H]1COCCN1CCN1CCCCC1 ZINC000088379602 368912582 /nfs/dbraw/zinc/91/25/82/368912582.db2.gz QPRJQABCRBZPCU-LLVKDONJSA-N -1 3 242.319 0.258 20 0 BCADHM CO[C@@H]1COC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000458348497 203164801 /nfs/dbraw/zinc/16/48/01/203164801.db2.gz OLAWQRXKCBJBHH-WDEREUQCSA-N -1 3 237.255 0.536 20 0 BCADHM O=C(NC[C@H]1Cc2ccccc21)c1c[n-]nn1 ZINC000108457657 369395059 /nfs/dbraw/zinc/39/50/59/369395059.db2.gz MGFSAUORHCZVOH-SECBINFHSA-N -1 3 228.255 0.874 20 0 BCADHM O=C(NC[C@H]1Cc2ccccc21)c1cnn[n-]1 ZINC000108457657 369395061 /nfs/dbraw/zinc/39/50/61/369395061.db2.gz MGFSAUORHCZVOH-SECBINFHSA-N -1 3 228.255 0.874 20 0 BCADHM O=C(NC[C@H]1Cc2ccccc21)c1cn[n-]n1 ZINC000108457657 369395063 /nfs/dbraw/zinc/39/50/63/369395063.db2.gz MGFSAUORHCZVOH-SECBINFHSA-N -1 3 228.255 0.874 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)N1CC(CO)C1 ZINC000622506703 370971709 /nfs/dbraw/zinc/97/17/09/370971709.db2.gz RODAIIIGIKNFJE-UHFFFAOYSA-N -1 3 239.246 0.525 20 0 BCADHM Nc1cccc(NC(=O)c2cnn[n-]2)c1 ZINC000082265192 370977634 /nfs/dbraw/zinc/97/76/34/370977634.db2.gz CBOPNKLTZOQHSZ-UHFFFAOYSA-N -1 3 203.205 0.639 20 0 BCADHM Nc1cccc(NC(=O)c2c[n-]nn2)c1 ZINC000082265192 370977636 /nfs/dbraw/zinc/97/76/36/370977636.db2.gz CBOPNKLTZOQHSZ-UHFFFAOYSA-N -1 3 203.205 0.639 20 0 BCADHM Nc1cccc(NC(=O)c2cn[n-]n2)c1 ZINC000082265192 370977640 /nfs/dbraw/zinc/97/76/40/370977640.db2.gz CBOPNKLTZOQHSZ-UHFFFAOYSA-N -1 3 203.205 0.639 20 0 BCADHM CCC[C@](C)(O)C(=O)[N-]c1nncn1C ZINC000622512586 370974923 /nfs/dbraw/zinc/97/49/23/370974923.db2.gz OEVCYNLHGYCFCZ-VIFPVBQESA-N -1 3 212.253 0.305 20 0 BCADHM O=C(C[C@@H]1CCC(=O)NC1)Nc1ncccc1[O-] ZINC000622505296 370968095 /nfs/dbraw/zinc/96/80/95/370968095.db2.gz YFVQORACIUWEJX-QMMMGPOBSA-N -1 3 249.270 0.642 20 0 BCADHM Cc1nnc(C(=O)[N-]c2cnns2)s1 ZINC000622539864 370988877 /nfs/dbraw/zinc/98/88/77/370988877.db2.gz PHBONIQQRHOBLP-UHFFFAOYSA-N -1 3 227.274 0.950 20 0 BCADHM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@@H]1CCCN1C ZINC000567987392 326291724 /nfs/dbraw/zinc/29/17/24/326291724.db2.gz BHVBPOQNJOSQFB-VHSXEESVSA-N -1 3 242.319 0.554 20 0 BCADHM C[C@H](O)C1(NC(=O)Cc2cncc([O-])c2)CC1 ZINC000620061853 369694562 /nfs/dbraw/zinc/69/45/62/369694562.db2.gz XXXWWTRXCZIIBE-QMMMGPOBSA-N -1 3 236.271 0.359 20 0 BCADHM C[C@H](O)C1(NC(=O)c2ccc(O)cc2[O-])CC1 ZINC000620063039 369695199 /nfs/dbraw/zinc/69/51/99/369695199.db2.gz BVLZOWNHTSKZKN-ZETCQYMHSA-N -1 3 237.255 0.741 20 0 BCADHM COc1ccc(NC(=O)c2cnn[n-]2)c(OC)n1 ZINC000620728739 369980622 /nfs/dbraw/zinc/98/06/22/369980622.db2.gz UHHFSVSBSIQPPB-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1ccc(NC(=O)c2c[n-]nn2)c(OC)n1 ZINC000620728739 369980625 /nfs/dbraw/zinc/98/06/25/369980625.db2.gz UHHFSVSBSIQPPB-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM COc1ccc(NC(=O)c2cn[n-]n2)c(OC)n1 ZINC000620728739 369980630 /nfs/dbraw/zinc/98/06/30/369980630.db2.gz UHHFSVSBSIQPPB-UHFFFAOYSA-N -1 3 249.230 0.469 20 0 BCADHM C[C@@H](O)[C@@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000620986646 370067876 /nfs/dbraw/zinc/06/78/76/370067876.db2.gz QQIWUWNJGJUBTB-LDYMZIIASA-N -1 3 246.270 0.657 20 0 BCADHM C[C@@H](O)[C@@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000620986646 370067878 /nfs/dbraw/zinc/06/78/78/370067878.db2.gz QQIWUWNJGJUBTB-LDYMZIIASA-N -1 3 246.270 0.657 20 0 BCADHM C[C@@H](O)[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000620986646 370067884 /nfs/dbraw/zinc/06/78/84/370067884.db2.gz QQIWUWNJGJUBTB-LDYMZIIASA-N -1 3 246.270 0.657 20 0 BCADHM CC1CC(C[N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000621313635 370238399 /nfs/dbraw/zinc/23/83/99/370238399.db2.gz QYEVLHYHVODUFF-UHFFFAOYSA-N -1 3 229.305 0.734 20 0 BCADHM COCCN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621701431 370447601 /nfs/dbraw/zinc/44/76/01/370447601.db2.gz JEGNLUVDPVOHJJ-UHFFFAOYSA-N -1 3 228.223 0.645 20 0 BCADHM C[C@H](CCO)NC(=O)c1cc(F)c[n-]c1=O ZINC000621916211 370598414 /nfs/dbraw/zinc/59/84/14/370598414.db2.gz BLXSNZLSKVIXPB-ZCFIWIBFSA-N -1 3 228.223 0.427 20 0 BCADHM C[C@@H](NC(=O)c1cc(F)c[n-]c1=O)[C@H](C)CO ZINC000621917929 370599593 /nfs/dbraw/zinc/59/95/93/370599593.db2.gz NKMSYVBHAMJZQM-RNFRBKRXSA-N -1 3 242.250 0.673 20 0 BCADHM C[C@@H](CO)CNC(=O)c1cc(F)c[n-]c1=O ZINC000621922262 370601587 /nfs/dbraw/zinc/60/15/87/370601587.db2.gz SXSDKYOJVFYVKH-ZCFIWIBFSA-N -1 3 228.223 0.285 20 0 BCADHM CN(C(=O)c1cc(F)c[n-]c1=O)C1CC(O)C1 ZINC000621953829 370617738 /nfs/dbraw/zinc/61/77/38/370617738.db2.gz YRIZPIMTTXUGOO-UHFFFAOYSA-N -1 3 240.234 0.522 20 0 BCADHM COC1(C)CN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000621937552 370610106 /nfs/dbraw/zinc/61/01/06/370610106.db2.gz HAOWPXWQGMVHRP-UHFFFAOYSA-N -1 3 240.234 0.787 20 0 BCADHM C[C@@H](O)CN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621943169 370612119 /nfs/dbraw/zinc/61/21/19/370612119.db2.gz UDIKECJPXDUDDF-ZCFIWIBFSA-N -1 3 228.223 0.379 20 0 BCADHM Cc1nc([N-]C(=O)c2ncccc2F)nn1C ZINC000622614726 371016145 /nfs/dbraw/zinc/01/61/45/371016145.db2.gz WTVBKLXYJJSTCM-UHFFFAOYSA-N -1 3 235.222 0.910 20 0 BCADHM O=C([N-]c1cnoc1)c1cn2cccnc2n1 ZINC000624009615 371245836 /nfs/dbraw/zinc/24/58/36/371245836.db2.gz JZAWJJGFOGUQRI-UHFFFAOYSA-N -1 3 229.199 0.970 20 0 BCADHM CC1(C)CN(C(=O)c2cc(=O)[n-]cn2)CCO1 ZINC000624038167 371265819 /nfs/dbraw/zinc/26/58/19/371265819.db2.gz UJXBINMZFFHJOC-UHFFFAOYSA-N -1 3 237.259 0.433 20 0 BCADHM Cc1noc(C)c1CNC(=O)c1cc(=O)[n-]cn1 ZINC000624613224 371550447 /nfs/dbraw/zinc/55/04/47/371550447.db2.gz ONWLMBLUSMWBIO-UHFFFAOYSA-N -1 3 248.242 0.717 20 0 BCADHM CC[C@H](NC(=O)c1cc(=O)[n-]cn1)C(F)F ZINC000627563456 371711739 /nfs/dbraw/zinc/71/17/39/371711739.db2.gz GDUFFKNEFPFXGL-YFKPBYRVSA-N -1 3 231.202 0.956 20 0 BCADHM CC[C@@H](NC(=O)c1cc(=O)[n-]cn1)C(F)F ZINC000627563455 371711862 /nfs/dbraw/zinc/71/18/62/371711862.db2.gz GDUFFKNEFPFXGL-RXMQYKEDSA-N -1 3 231.202 0.956 20 0 BCADHM CC(=O)[C@@H]1CCCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000627572344 371721321 /nfs/dbraw/zinc/72/13/21/371721321.db2.gz BNQZKODTXFGFEF-JTQLQIEISA-N -1 3 249.270 0.766 20 0 BCADHM CC[C@@H](NC(=O)c1cc(=O)[n-]cn1)C(C)(C)O ZINC000627540617 371693017 /nfs/dbraw/zinc/69/30/17/371693017.db2.gz QFDWXCJXGXZVAU-MRVPVSSYSA-N -1 3 239.275 0.462 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC(=O)N[C@@H](C)C1 ZINC000627633851 371795994 /nfs/dbraw/zinc/79/59/94/371795994.db2.gz UFMIBOFCSRIXAC-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM C[C@@H]1CC[C@@H](CNC(=O)c2cc(=O)[n-]cn2)O1 ZINC000627713385 371877191 /nfs/dbraw/zinc/87/71/91/371877191.db2.gz QCCOWWRNSSGWGL-SFYZADRCSA-N -1 3 237.259 0.480 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CN(C)C(=O)[C@@H]1C ZINC000627971873 372168871 /nfs/dbraw/zinc/16/88/71/372168871.db2.gz GHUIMKJDFIDJEC-VIFPVBQESA-N -1 3 248.282 0.961 20 0 BCADHM CC[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631639555 372475552 /nfs/dbraw/zinc/47/55/52/372475552.db2.gz NQPCLTOUNCOHPI-UHFFFAOYSA-N -1 3 208.264 0.147 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1C ZINC000631746735 372547127 /nfs/dbraw/zinc/54/71/27/372547127.db2.gz QYONHASNPZYICX-POYBYMJQSA-N -1 3 230.289 0.917 20 0 BCADHM CO[C@H](C)CC[N-]S(=O)(=O)c1conc1C ZINC000631882151 372680347 /nfs/dbraw/zinc/68/03/47/372680347.db2.gz RYGLKVLSDDXLCL-SSDOTTSWSA-N -1 3 248.304 0.686 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H]1CCCOC1 ZINC000631910589 372693597 /nfs/dbraw/zinc/69/35/97/372693597.db2.gz JFEUAQJATWATJS-QMMMGPOBSA-N -1 3 246.288 0.440 20 0 BCADHM O=C(CN1CCCCC1=O)Nc1ncccc1[O-] ZINC000123772938 181958859 /nfs/dbraw/zinc/95/88/59/181958859.db2.gz RMVPEMVNTACIDG-UHFFFAOYSA-N -1 3 249.270 0.738 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H](C)CCCO ZINC000632090098 372755367 /nfs/dbraw/zinc/75/53/67/372755367.db2.gz WYSRFHXWDGIEBQ-SSDOTTSWSA-N -1 3 248.304 0.422 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-]C[C@H](C)CCO ZINC000632048504 372737025 /nfs/dbraw/zinc/73/70/25/372737025.db2.gz MMDYPFQZIUQATP-SSDOTTSWSA-N -1 3 248.304 0.280 20 0 BCADHM CC[C@H](C[N-]S(=O)(=O)c1conc1C)OC ZINC000632349052 372893095 /nfs/dbraw/zinc/89/30/95/372893095.db2.gz PXEYIMKIFBFKSF-MRVPVSSYSA-N -1 3 248.304 0.686 20 0 BCADHM CC/C=C\C[N-]S(=O)(=O)c1nncn1C ZINC000632406829 372923590 /nfs/dbraw/zinc/92/35/90/372923590.db2.gz WHKHQZJDTOBFPG-PLNGDYQASA-N -1 3 230.293 0.060 20 0 BCADHM CC[C@@H](NC(C)=O)C(=O)Nc1ncccc1[O-] ZINC000632400157 372921377 /nfs/dbraw/zinc/92/13/77/372921377.db2.gz IDDRBMREOUMBKE-MRVPVSSYSA-N -1 3 237.259 0.640 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000632449142 372953341 /nfs/dbraw/zinc/95/33/41/372953341.db2.gz RXURDSVSXYJLJS-CBAPKCEASA-N -1 3 247.316 0.205 20 0 BCADHM CC(=O)C1([N-]S(=O)(=O)c2ccoc2)CC1 ZINC000632449018 372953615 /nfs/dbraw/zinc/95/36/15/372953615.db2.gz NNSAPDOUUQEOTJ-UHFFFAOYSA-N -1 3 229.257 0.680 20 0 BCADHM O=C(Cc1ccc([O-])cc1Cl)NCCO ZINC000305132728 182038401 /nfs/dbraw/zinc/03/84/01/182038401.db2.gz RRICTQJRGOTBFP-UHFFFAOYSA-N -1 3 229.663 0.697 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]CC(C)(C)F ZINC000632608342 373029326 /nfs/dbraw/zinc/02/93/26/373029326.db2.gz OJOYLECQMRQPDB-ZETCQYMHSA-N -1 3 227.301 0.689 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]CC(C)(C)F)c1 ZINC000632608734 373029539 /nfs/dbraw/zinc/02/95/39/373029539.db2.gz CYYXBGYAMDQQNZ-UHFFFAOYSA-N -1 3 249.311 0.929 20 0 BCADHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]CC(C)(C)F ZINC000632609146 373031391 /nfs/dbraw/zinc/03/13/91/373031391.db2.gz WFEOBKQJQYQIKQ-YUMQZZPRSA-N -1 3 239.312 0.831 20 0 BCADHM CC1([N-]S(=O)(=O)c2cscn2)COC1 ZINC000632664833 373057939 /nfs/dbraw/zinc/05/79/39/373057939.db2.gz SLUCOAAUQAREJE-UHFFFAOYSA-N -1 3 234.302 0.210 20 0 BCADHM CC1([N-]S(=O)(=O)c2ccccc2F)COC1 ZINC000632665373 373059414 /nfs/dbraw/zinc/05/94/14/373059414.db2.gz NZMKGSLXJWBVMG-UHFFFAOYSA-N -1 3 245.275 0.893 20 0 BCADHM C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000632630738 373044200 /nfs/dbraw/zinc/04/42/00/373044200.db2.gz PNRUBHGFPOEPKV-BQBZGAKWSA-N -1 3 201.247 0.966 20 0 BCADHM O=C(Cn1ccnc1)NCc1ncccc1[O-] ZINC000360449138 182071821 /nfs/dbraw/zinc/07/18/21/182071821.db2.gz RKIKCJOOVKNLLM-UHFFFAOYSA-N -1 3 232.243 0.300 20 0 BCADHM O=C(NC1CC1)c1cc(F)cc2nn[n-]c21 ZINC000277402161 182100245 /nfs/dbraw/zinc/10/02/45/182100245.db2.gz JBRKHYUDUSZZAZ-UHFFFAOYSA-N -1 3 220.207 0.989 20 0 BCADHM O=C(NC1CC1)c1cc(F)cc2[n-]nnc21 ZINC000277402161 182100247 /nfs/dbraw/zinc/10/02/47/182100247.db2.gz JBRKHYUDUSZZAZ-UHFFFAOYSA-N -1 3 220.207 0.989 20 0 BCADHM O=C(NC1CC1)c1cc(F)cc2n[n-]nc21 ZINC000277402161 182100249 /nfs/dbraw/zinc/10/02/49/182100249.db2.gz JBRKHYUDUSZZAZ-UHFFFAOYSA-N -1 3 220.207 0.989 20 0 BCADHM O=C(NC1Cc2ccccc2C1)c1c[n-]nn1 ZINC000183599191 182120114 /nfs/dbraw/zinc/12/01/14/182120114.db2.gz RMVDGRKKXMRUNF-UHFFFAOYSA-N -1 3 228.255 0.702 20 0 BCADHM O=C(NC1Cc2ccccc2C1)c1cnn[n-]1 ZINC000183599191 182120116 /nfs/dbraw/zinc/12/01/16/182120116.db2.gz RMVDGRKKXMRUNF-UHFFFAOYSA-N -1 3 228.255 0.702 20 0 BCADHM O=C(NC1Cc2ccccc2C1)c1cn[n-]n1 ZINC000183599191 182120119 /nfs/dbraw/zinc/12/01/19/182120119.db2.gz RMVDGRKKXMRUNF-UHFFFAOYSA-N -1 3 228.255 0.702 20 0 BCADHM CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(=O)[nH]1 ZINC000633520677 373583450 /nfs/dbraw/zinc/58/34/50/373583450.db2.gz JKSWETCAOGEDBK-HTRCEHHLSA-N -1 3 237.259 0.550 20 0 BCADHM CCC1(C(=O)NCc2cc(=O)[n-]c(=O)[nH]2)CC1 ZINC000633521872 373583839 /nfs/dbraw/zinc/58/38/39/373583839.db2.gz VJTIXUZWKIKYHG-UHFFFAOYSA-N -1 3 237.259 0.694 20 0 BCADHM O=C(NCC1CC1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000170900845 182142371 /nfs/dbraw/zinc/14/23/71/182142371.db2.gz DVPDPHCDUDOBIS-UHFFFAOYSA-N -1 3 244.250 0.710 20 0 BCADHM O=C(NCCCCO)c1ccccc1[O-] ZINC000193294065 182165818 /nfs/dbraw/zinc/16/58/18/182165818.db2.gz WGUWZCBOFLYERA-UHFFFAOYSA-N -1 3 209.245 0.895 20 0 BCADHM O=C(NCCCCO)c1cccc([O-])c1 ZINC000236495004 182166107 /nfs/dbraw/zinc/16/61/07/182166107.db2.gz QSKVDRPZOZWCJK-UHFFFAOYSA-N -1 3 209.245 0.895 20 0 BCADHM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN1CCCCC1 ZINC000049575071 182184653 /nfs/dbraw/zinc/18/46/53/182184653.db2.gz CJKHPOQNWOERBF-VHSXEESVSA-N -1 3 240.303 0.309 20 0 BCADHM O=C(NC[C@@]1(O)CCOC1)c1cccc([O-])c1 ZINC000227687240 182230567 /nfs/dbraw/zinc/23/05/67/182230567.db2.gz LRXDMMVWVKCTKI-LBPRGKRZSA-N -1 3 237.255 0.273 20 0 BCADHM O=C(NC[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000179083253 182247167 /nfs/dbraw/zinc/24/71/67/182247167.db2.gz AEUOCAJLDJSGNV-GFCCVEGCSA-N -1 3 237.255 0.273 20 0 BCADHM O=C(NCc1ncccc1[O-])c1cccc(=O)[nH]1 ZINC000338912333 182273866 /nfs/dbraw/zinc/27/38/66/182273866.db2.gz CZWYGOKRNVRHTK-UHFFFAOYSA-N -1 3 245.238 0.818 20 0 BCADHM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1cc(=O)[n-]cn1 ZINC000634507488 374281930 /nfs/dbraw/zinc/28/19/30/374281930.db2.gz KCWIRTDBESZNRG-RFZPGFLSSA-N -1 3 247.176 0.863 20 0 BCADHM O=C([N-]N1CCCNC1=O)c1ccnc(F)c1 ZINC000272532521 182278703 /nfs/dbraw/zinc/27/87/03/182278703.db2.gz FWOFQIVZAYUNFQ-UHFFFAOYSA-N -1 3 238.222 0.281 20 0 BCADHM O=C([N-]OC[C@@H]1CCOC1)c1ccc(=O)[nH]c1 ZINC000191800010 182283248 /nfs/dbraw/zinc/28/32/48/182283248.db2.gz BFUHSWQPVWJCLU-MRVPVSSYSA-N -1 3 238.243 0.485 20 0 BCADHM O=C(N[C@@H]1CCCC[C@H]1CO)c1c[n-]nn1 ZINC000230181645 182293729 /nfs/dbraw/zinc/29/37/29/182293729.db2.gz RQIVJQGKYQULAC-JGVFFNPUSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H]1CCCC[C@H]1CO)c1cnn[n-]1 ZINC000230181645 182293735 /nfs/dbraw/zinc/29/37/35/182293735.db2.gz RQIVJQGKYQULAC-JGVFFNPUSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H]1CCCC[C@H]1CO)c1cn[n-]n1 ZINC000230181645 182293737 /nfs/dbraw/zinc/29/37/37/182293737.db2.gz RQIVJQGKYQULAC-JGVFFNPUSA-N -1 3 224.264 0.086 20 0 BCADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1c[n-]nn1 ZINC000249257997 182316893 /nfs/dbraw/zinc/31/68/93/182316893.db2.gz YQFLLMDRZCJJSR-OOZYFLPDSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cnn[n-]1 ZINC000249257997 182316897 /nfs/dbraw/zinc/31/68/97/182316897.db2.gz YQFLLMDRZCJJSR-OOZYFLPDSA-N -1 3 222.248 0.102 20 0 BCADHM O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cn[n-]n1 ZINC000249257997 182316899 /nfs/dbraw/zinc/31/68/99/182316899.db2.gz YQFLLMDRZCJJSR-OOZYFLPDSA-N -1 3 222.248 0.102 20 0 BCADHM O=C([N-][C@H]1COc2ccccc2[C@@H]1O)C(F)F ZINC000290631955 182343667 /nfs/dbraw/zinc/34/36/67/182343667.db2.gz MHESQUUGKWKWMW-CBAPKCEASA-N -1 3 243.209 0.862 20 0 BCADHM CC[C@H](CCO)NC(=O)c1ccc(O)cc1[O-] ZINC000166985781 206140574 /nfs/dbraw/zinc/14/05/74/206140574.db2.gz OUKBSYAMWVDNJU-MRVPVSSYSA-N -1 3 239.271 0.989 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1COCCO1 ZINC000048104821 182399033 /nfs/dbraw/zinc/39/90/33/182399033.db2.gz DDTUWVXYMRTMBC-QMMMGPOBSA-N -1 3 224.216 0.141 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@H]1CCOC1 ZINC000049340944 182399119 /nfs/dbraw/zinc/39/91/19/182399119.db2.gz PZHJRZFQPOXFTJ-ZETCQYMHSA-N -1 3 208.217 0.762 20 0 BCADHM O=c1nc(C2CCN(Cc3ccno3)CC2)[nH][n-]1 ZINC000289459833 183010828 /nfs/dbraw/zinc/01/08/28/183010828.db2.gz PXHFWEFOONLJDQ-UHFFFAOYSA-N -1 3 249.274 0.466 20 0 BCADHM CCCCc1nc(CO[N-]C(C)=O)no1 ZINC000178193337 169026040 /nfs/dbraw/zinc/02/60/40/169026040.db2.gz CQGOSJRHSFWYFL-UHFFFAOYSA-N -1 3 213.237 0.980 20 0 BCADHM [O-]c1cc(F)cc(CN2C[C@@H](O)C[C@@H]2CO)c1 ZINC000368641654 183156129 /nfs/dbraw/zinc/15/61/29/183156129.db2.gz HRKFXIUUTOJWNO-PWSUYJOCSA-N -1 3 241.262 0.459 20 0 BCADHM CCCN(CC(=O)[O-])C(=O)CN(C)C(C)C ZINC000184883918 169096221 /nfs/dbraw/zinc/09/62/21/169096221.db2.gz XBOVBECPHQEZFE-UHFFFAOYSA-N -1 3 230.308 0.650 20 0 BCADHM [O-]c1cc(F)cc(CN2CCOC[C@H](O)C2)c1 ZINC000294753047 183259136 /nfs/dbraw/zinc/25/91/36/183259136.db2.gz IKWGGQKSBZODRY-GFCCVEGCSA-N -1 3 241.262 0.724 20 0 BCADHM O=c1[n-]c(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)n[nH]1 ZINC000331403930 183306608 /nfs/dbraw/zinc/30/66/08/183306608.db2.gz BFHOPARPCKEUNB-DJLDLDEBSA-N -1 3 238.291 0.103 20 0 BCADHM CCCNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000035137555 169225715 /nfs/dbraw/zinc/22/57/15/169225715.db2.gz PYHPHQRLEZDIBR-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM CCCNC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000038027685 169220620 /nfs/dbraw/zinc/22/06/20/169220620.db2.gz VTRHERBTDUCHSA-JTQLQIEISA-N -1 3 242.319 0.842 20 0 BCADHM CCCOCC(=O)NCc1ncccc1[O-] ZINC000352510595 169305638 /nfs/dbraw/zinc/30/56/38/169305638.db2.gz ULOVWSGMASEGTJ-UHFFFAOYSA-N -1 3 224.260 0.830 20 0 BCADHM CCCOCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000275115246 169308270 /nfs/dbraw/zinc/30/82/70/169308270.db2.gz GRKSLSQTAOONIN-UHFFFAOYSA-N -1 3 241.247 0.561 20 0 BCADHM CCCOCC(=O)Nc1nnc(SC)[n-]1 ZINC000263883388 169308891 /nfs/dbraw/zinc/30/88/91/169308891.db2.gz VFQGHNLOZZUWQC-UHFFFAOYSA-N -1 3 230.293 0.892 20 0 BCADHM CCCOCC(=O)Nc1nc(SC)n[n-]1 ZINC000263883388 169308892 /nfs/dbraw/zinc/30/88/92/169308892.db2.gz VFQGHNLOZZUWQC-UHFFFAOYSA-N -1 3 230.293 0.892 20 0 BCADHM CCCOCC(=O)Nc1n[n-]c(SC)n1 ZINC000263883388 169308894 /nfs/dbraw/zinc/30/88/94/169308894.db2.gz VFQGHNLOZZUWQC-UHFFFAOYSA-N -1 3 230.293 0.892 20 0 BCADHM C[C@H](C(N)=O)S(=O)(=O)c1cccc([O-])c1 ZINC000183979363 134355959 /nfs/dbraw/zinc/35/59/59/134355959.db2.gz HEMVBXFOGVZTHV-ZCFIWIBFSA-N -1 3 229.257 0.040 20 0 BCADHM CC[C@@H](CO)[N-]S(=O)(=O)c1ccccc1F ZINC000035610441 383863163 /nfs/dbraw/zinc/86/31/63/383863163.db2.gz WGXMVLYGAKYBCX-QMMMGPOBSA-N -1 3 247.291 0.875 20 0 BCADHM CCC[C@H](CC)NC(=O)CN1CC(=O)[N-]C1=O ZINC000111584925 383869399 /nfs/dbraw/zinc/86/93/99/383869399.db2.gz OVGBDHRTXRLUHP-QMMMGPOBSA-N -1 3 241.291 0.233 20 0 BCADHM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000313070366 383832550 /nfs/dbraw/zinc/83/25/50/383832550.db2.gz VDCYMTFRRXPJCU-SSDOTTSWSA-N -1 3 245.304 0.113 20 0 BCADHM CC(C)(C)[S@](=O)CCNC(=O)c1c[n-]nn1 ZINC000112299316 383913758 /nfs/dbraw/zinc/91/37/58/383913758.db2.gz NQLKXNWHJKLFQR-INIZCTEOSA-N -1 3 244.320 0.082 20 0 BCADHM CC(C)(C)[S@](=O)CCNC(=O)c1cnn[n-]1 ZINC000112299316 383913762 /nfs/dbraw/zinc/91/37/62/383913762.db2.gz NQLKXNWHJKLFQR-INIZCTEOSA-N -1 3 244.320 0.082 20 0 BCADHM CC(C)(C)[S@](=O)CCNC(=O)c1cn[n-]n1 ZINC000112299316 383913769 /nfs/dbraw/zinc/91/37/69/383913769.db2.gz NQLKXNWHJKLFQR-INIZCTEOSA-N -1 3 244.320 0.082 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC(=O)N[C@@H](C)C2)c1 ZINC000295906053 383885147 /nfs/dbraw/zinc/88/51/47/383885147.db2.gz GUQTWXHSMKBBFV-VIFPVBQESA-N -1 3 248.282 0.661 20 0 BCADHM O=C(NCCc1ccccn1)c1c[n-]nn1 ZINC000088330271 383895228 /nfs/dbraw/zinc/89/52/28/383895228.db2.gz ITJZMENFRBALMD-UHFFFAOYSA-N -1 3 217.232 0.172 20 0 BCADHM O=C(NCCc1ccccn1)c1cnn[n-]1 ZINC000088330271 383895232 /nfs/dbraw/zinc/89/52/32/383895232.db2.gz ITJZMENFRBALMD-UHFFFAOYSA-N -1 3 217.232 0.172 20 0 BCADHM O=C(NCCc1ccccn1)c1cn[n-]n1 ZINC000088330271 383895236 /nfs/dbraw/zinc/89/52/36/383895236.db2.gz ITJZMENFRBALMD-UHFFFAOYSA-N -1 3 217.232 0.172 20 0 BCADHM CN(Cc1nccn1C)C(=O)c1cncc([O-])c1 ZINC000113362757 383979065 /nfs/dbraw/zinc/97/90/65/383979065.db2.gz TXGMYOGVSYBPIF-UHFFFAOYSA-N -1 3 246.270 0.793 20 0 BCADHM COCc1csc(NC(=O)c2cnn[n-]2)n1 ZINC000115477526 384083733 /nfs/dbraw/zinc/08/37/33/384083733.db2.gz KTQIXSMDJGFQPE-UHFFFAOYSA-N -1 3 239.260 0.660 20 0 BCADHM COCc1csc(NC(=O)c2c[n-]nn2)n1 ZINC000115477526 384083738 /nfs/dbraw/zinc/08/37/38/384083738.db2.gz KTQIXSMDJGFQPE-UHFFFAOYSA-N -1 3 239.260 0.660 20 0 BCADHM COCc1csc(NC(=O)c2cn[n-]n2)n1 ZINC000115477526 384083745 /nfs/dbraw/zinc/08/37/45/384083745.db2.gz KTQIXSMDJGFQPE-UHFFFAOYSA-N -1 3 239.260 0.660 20 0 BCADHM COCC[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188653196 384094837 /nfs/dbraw/zinc/09/48/37/384094837.db2.gz KRHNEQUHBNRFES-QMMMGPOBSA-N -1 3 233.289 0.983 20 0 BCADHM CCN1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000082304342 384223597 /nfs/dbraw/zinc/22/35/97/384223597.db2.gz GYUCQNSQRIXKAN-UHFFFAOYSA-N -1 3 235.287 0.565 20 0 BCADHM Cc1ccc([O-])c(CN2CCC(C(N)=O)CC2)n1 ZINC000158590067 384248007 /nfs/dbraw/zinc/24/80/07/384248007.db2.gz DHIDICXFSKBYNZ-UHFFFAOYSA-N -1 3 249.314 0.793 20 0 BCADHM CO[C@@H](C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119465964 384273586 /nfs/dbraw/zinc/27/35/86/384273586.db2.gz LTUSGQNTGIZYHV-ZETCQYMHSA-N -1 3 249.274 0.784 20 0 BCADHM CO[C@@H](C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119465964 384273588 /nfs/dbraw/zinc/27/35/88/384273588.db2.gz LTUSGQNTGIZYHV-ZETCQYMHSA-N -1 3 249.274 0.784 20 0 BCADHM COC(=O)c1cnc(SC[C@@H](C)O)[n-]1 ZINC000142681589 384307989 /nfs/dbraw/zinc/30/79/89/384307989.db2.gz VPVYWJZRNFULNG-RXMQYKEDSA-N -1 3 216.262 0.669 20 0 BCADHM C[C@H](CCO)NC(=O)c1ccc(O)cc1[O-] ZINC000133884966 384317425 /nfs/dbraw/zinc/31/74/25/384317425.db2.gz HVOPKDUNWYMTHN-SSDOTTSWSA-N -1 3 225.244 0.599 20 0 BCADHM C[C@@H](CCCO)NC(=O)c1ccc2n[n-]nc2c1 ZINC000094945317 384320970 /nfs/dbraw/zinc/32/09/70/384320970.db2.gz LNGCSUJZGQIBPI-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM CN(C)CCNC(=O)c1ccc(F)cc1[O-] ZINC000093900836 384280637 /nfs/dbraw/zinc/28/06/37/384280637.db2.gz WPNZOTPWIKRXED-UHFFFAOYSA-N -1 3 226.251 0.823 20 0 BCADHM COCCCNC(=O)/C=C/c1cncc([O-])c1 ZINC000179383379 384286170 /nfs/dbraw/zinc/28/61/70/384286170.db2.gz PYTJXNMEOBGATI-ONEGZZNKSA-N -1 3 236.271 0.953 20 0 BCADHM COC(=O)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC000094090288 384288609 /nfs/dbraw/zinc/28/86/09/384288609.db2.gz NEKCCLAHDAJXOJ-MRVPVSSYSA-N -1 3 237.255 0.931 20 0 BCADHM CC[C@@H](CCO)[N-]S(=O)(=O)c1ccccn1 ZINC000305724336 384335687 /nfs/dbraw/zinc/33/56/87/384335687.db2.gz XHAYWGRBCIHBLC-VIFPVBQESA-N -1 3 244.316 0.521 20 0 BCADHM Cc1ccc(C(=O)NC(C)(C)C(N)=O)c([O-])c1 ZINC000045110003 384373774 /nfs/dbraw/zinc/37/37/74/384373774.db2.gz BZRSBZYBJPKJBR-UHFFFAOYSA-N -1 3 236.271 0.694 20 0 BCADHM C[C@H](CCO)[N-]S(=O)(=O)c1ccccc1F ZINC000120333328 384346944 /nfs/dbraw/zinc/34/69/44/384346944.db2.gz VNJQPCHVQKJFMS-MRVPVSSYSA-N -1 3 247.291 0.875 20 0 BCADHM Cc1ccc(C(=O)N[C@@H](C)CO)c([O-])c1 ZINC000035205533 384401155 /nfs/dbraw/zinc/40/11/55/384401155.db2.gz DLDDYHMLFNEBPS-QMMMGPOBSA-N -1 3 209.245 0.811 20 0 BCADHM C[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1nnn[n-]1 ZINC000556810664 384496883 /nfs/dbraw/zinc/49/68/83/384496883.db2.gz NVYPHLCGVPKXEJ-JGVFFNPUSA-N -1 3 238.295 0.259 20 0 BCADHM C[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1nn[n-]n1 ZINC000556810664 384496886 /nfs/dbraw/zinc/49/68/86/384496886.db2.gz NVYPHLCGVPKXEJ-JGVFFNPUSA-N -1 3 238.295 0.259 20 0 BCADHM CCN(CCO)C(=O)Cc1cncc([O-])c1 ZINC000561113761 384502371 /nfs/dbraw/zinc/50/23/71/384502371.db2.gz NCESSPKIRPEKST-UHFFFAOYSA-N -1 3 224.260 0.171 20 0 BCADHM COc1nc(NC(=O)C2(OC)CCCC2)n[n-]1 ZINC000559041875 384494163 /nfs/dbraw/zinc/49/41/63/384494163.db2.gz KATRRBMDLJATEZ-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM COc1nnc(NC(=O)C2(OC)CCCC2)[n-]1 ZINC000559041875 384494170 /nfs/dbraw/zinc/49/41/70/384494170.db2.gz KATRRBMDLJATEZ-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM COc1n[n-]c(NC(=O)C2(OC)CCCC2)n1 ZINC000559041875 384494178 /nfs/dbraw/zinc/49/41/78/384494178.db2.gz KATRRBMDLJATEZ-UHFFFAOYSA-N -1 3 240.263 0.711 20 0 BCADHM CCC[C@]1(NCc2nc(=O)n(C)[n-]2)CCOC1 ZINC000556835339 384518399 /nfs/dbraw/zinc/51/83/99/384518399.db2.gz JROKYZORCHVHAK-NSHDSACASA-N -1 3 240.307 0.157 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)C(=O)OC(C)(C)C ZINC000149049858 384547843 /nfs/dbraw/zinc/54/78/43/384547843.db2.gz UNMWKUOZPQMQOQ-ZCFIWIBFSA-N -1 3 240.263 0.265 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)C(=O)OC(C)(C)C ZINC000149049858 384547849 /nfs/dbraw/zinc/54/78/49/384547849.db2.gz UNMWKUOZPQMQOQ-ZCFIWIBFSA-N -1 3 240.263 0.265 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)C(=O)OC(C)(C)C ZINC000149049858 384547858 /nfs/dbraw/zinc/54/78/58/384547858.db2.gz UNMWKUOZPQMQOQ-ZCFIWIBFSA-N -1 3 240.263 0.265 20 0 BCADHM O=C(NCCC(F)(F)F)c1c[n-]nn1 ZINC000085629279 384550567 /nfs/dbraw/zinc/55/05/67/384550567.db2.gz DHGNGHZCVGQALA-UHFFFAOYSA-N -1 3 208.143 0.487 20 0 BCADHM O=C(NCCC(F)(F)F)c1cnn[n-]1 ZINC000085629279 384550571 /nfs/dbraw/zinc/55/05/71/384550571.db2.gz DHGNGHZCVGQALA-UHFFFAOYSA-N -1 3 208.143 0.487 20 0 BCADHM O=C(NCCC(F)(F)F)c1cn[n-]n1 ZINC000085629279 384550580 /nfs/dbraw/zinc/55/05/80/384550580.db2.gz DHGNGHZCVGQALA-UHFFFAOYSA-N -1 3 208.143 0.487 20 0 BCADHM CCCC(=O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000085632945 384551004 /nfs/dbraw/zinc/55/10/04/384551004.db2.gz IUTGOHWHUIMXRH-UHFFFAOYSA-N -1 3 230.651 0.559 20 0 BCADHM COC(=O)CCCn1cc(Cl)c(=O)[n-]c1=O ZINC000085632602 384551335 /nfs/dbraw/zinc/55/13/35/384551335.db2.gz ZFGXNZNPLIIYAU-UHFFFAOYSA-N -1 3 246.650 0.143 20 0 BCADHM CC[C@@H](NC(=O)C1(N)CCCCC1)C(=O)[O-] ZINC000040482269 384570373 /nfs/dbraw/zinc/57/03/73/384570373.db2.gz BKDACVOBUWYSAN-MRVPVSSYSA-N -1 3 228.292 0.627 20 0 BCADHM CC(C)N(C)CC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000517935863 384581013 /nfs/dbraw/zinc/58/10/13/384581013.db2.gz FZIXVRHCLQBOGI-SECBINFHSA-N -1 3 242.319 0.791 20 0 BCADHM CCS(=O)(=O)[N-][C@H](COC)c1ccco1 ZINC000080790293 384583787 /nfs/dbraw/zinc/58/37/87/384583787.db2.gz XMTUCRTVJIAWNN-MRVPVSSYSA-N -1 3 233.289 0.906 20 0 BCADHM C[C@H](NC(=O)c1cncc([O-])c1)c1nc[nH]n1 ZINC000176224027 384587999 /nfs/dbraw/zinc/58/79/99/384587999.db2.gz NLRLJLQWYYNASF-LURJTMIESA-N -1 3 233.231 0.396 20 0 BCADHM C[C@H](NC(=O)c1cncc([O-])c1)c1nnc[nH]1 ZINC000176224027 384588006 /nfs/dbraw/zinc/58/80/06/384588006.db2.gz NLRLJLQWYYNASF-LURJTMIESA-N -1 3 233.231 0.396 20 0 BCADHM C[C@@H](CO)[C@H](C)NC(=O)Cc1cncc([O-])c1 ZINC000561286673 384621724 /nfs/dbraw/zinc/62/17/24/384621724.db2.gz LTXHWJOLNKRBBM-IUCAKERBSA-N -1 3 238.287 0.463 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCN(Cc2ccncc2)CC1 ZINC000051659416 384678974 /nfs/dbraw/zinc/67/89/74/384678974.db2.gz LDNJNYTZGTZMSC-NSHDSACASA-N -1 3 249.314 0.672 20 0 BCADHM CN(C)CCN(C)C(=O)c1ncccc1[O-] ZINC000082542441 384688414 /nfs/dbraw/zinc/68/84/14/384688414.db2.gz ORFLATPEIHKHCX-UHFFFAOYSA-N -1 3 223.276 0.421 20 0 BCADHM CCO[C@H](CCNC(=O)c1c[n-]nn1)C(C)C ZINC000173565207 384691235 /nfs/dbraw/zinc/69/12/35/384691235.db2.gz ZUFBNJWDCDUIIW-SNVBAGLBSA-N -1 3 240.307 0.986 20 0 BCADHM CCO[C@H](CCNC(=O)c1cnn[n-]1)C(C)C ZINC000173565207 384691242 /nfs/dbraw/zinc/69/12/42/384691242.db2.gz ZUFBNJWDCDUIIW-SNVBAGLBSA-N -1 3 240.307 0.986 20 0 BCADHM CCO[C@H](CCNC(=O)c1cn[n-]n1)C(C)C ZINC000173565207 384691246 /nfs/dbraw/zinc/69/12/46/384691246.db2.gz ZUFBNJWDCDUIIW-SNVBAGLBSA-N -1 3 240.307 0.986 20 0 BCADHM COc1nnc(NC(=O)C=Cc2cccnc2)[n-]1 ZINC000255503531 384700564 /nfs/dbraw/zinc/70/05/64/384700564.db2.gz LBXKQOIBIWJEBQ-PLNGDYQASA-N -1 3 245.242 0.860 20 0 BCADHM COc1nc(NC(=O)C=Cc2cccnc2)n[n-]1 ZINC000255503531 384700570 /nfs/dbraw/zinc/70/05/70/384700570.db2.gz LBXKQOIBIWJEBQ-PLNGDYQASA-N -1 3 245.242 0.860 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2cccnc2)n1 ZINC000255503531 384700579 /nfs/dbraw/zinc/70/05/79/384700579.db2.gz LBXKQOIBIWJEBQ-PLNGDYQASA-N -1 3 245.242 0.860 20 0 BCADHM C[C@H](O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000082994608 384734110 /nfs/dbraw/zinc/73/41/10/384734110.db2.gz KHRGRYNLDGKOCG-QMMMGPOBSA-N -1 3 247.291 0.875 20 0 BCADHM CC(C)[C@@H](C)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225908679 384742913 /nfs/dbraw/zinc/74/29/13/384742913.db2.gz SCCZXBQYISANTO-SNVBAGLBSA-N -1 3 244.335 0.753 20 0 BCADHM CC[C@H](O)CNC(=O)c1ccc(OC)cc1[O-] ZINC000126054592 384767153 /nfs/dbraw/zinc/76/71/53/384767153.db2.gz RIERXVGVMJXAFH-QMMMGPOBSA-N -1 3 239.271 0.902 20 0 BCADHM CO[N-]C(=O)[C@H]1CCCN(c2ccccn2)C1 ZINC000146861072 384821558 /nfs/dbraw/zinc/82/15/58/384821558.db2.gz SSICBMRZNNVJFT-JTQLQIEISA-N -1 3 235.287 0.976 20 0 BCADHM CCO[N-]C(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000497186518 384834647 /nfs/dbraw/zinc/83/46/47/384834647.db2.gz KZEIBHORZVDUGE-SFYZADRCSA-N -1 3 244.291 0.967 20 0 BCADHM CCOC(=O)N[C@@H]1CCCN(CC(=O)[O-])C1 ZINC000108176724 384784554 /nfs/dbraw/zinc/78/45/54/384784554.db2.gz FSZGEDOCOYYWEC-MRVPVSSYSA-N -1 3 230.264 0.282 20 0 BCADHM CCO[N-]C(=O)CSc1nc(C)n[nH]1 ZINC000023202744 384789186 /nfs/dbraw/zinc/78/91/86/384789186.db2.gz MIJDSBLHAIWJTR-UHFFFAOYSA-N -1 3 216.266 0.273 20 0 BCADHM Cn1cnc(S(=O)(=O)[N-]CCCC2CC2)c1 ZINC000605588358 384796091 /nfs/dbraw/zinc/79/60/91/384796091.db2.gz JCPHYQDYWSOSEJ-UHFFFAOYSA-N -1 3 243.332 0.889 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)[C@H](C)OC ZINC000559233836 384808321 /nfs/dbraw/zinc/80/83/21/384808321.db2.gz GGSSEVXPKAWWJB-YFKPBYRVSA-N -1 3 227.220 0.170 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)[C@H](C)OC ZINC000559233836 384808327 /nfs/dbraw/zinc/80/83/27/384808327.db2.gz GGSSEVXPKAWWJB-YFKPBYRVSA-N -1 3 227.220 0.170 20 0 BCADHM C[C@]1(CNC(=O)c2c[n-]nn2)CCCS1 ZINC000087620693 384814438 /nfs/dbraw/zinc/81/44/38/384814438.db2.gz BUNKECHZYIDJAP-SECBINFHSA-N -1 3 226.305 0.820 20 0 BCADHM C[C@]1(CNC(=O)c2cnn[n-]2)CCCS1 ZINC000087620693 384814447 /nfs/dbraw/zinc/81/44/47/384814447.db2.gz BUNKECHZYIDJAP-SECBINFHSA-N -1 3 226.305 0.820 20 0 BCADHM C[C@]1(CNC(=O)c2cn[n-]n2)CCCS1 ZINC000087620693 384814452 /nfs/dbraw/zinc/81/44/52/384814452.db2.gz BUNKECHZYIDJAP-SECBINFHSA-N -1 3 226.305 0.820 20 0 BCADHM C/C(Cl)=C/CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000528430805 384877546 /nfs/dbraw/zinc/87/75/46/384877546.db2.gz UXTPNSJJXWGKSY-VKWJFSHESA-N -1 3 243.694 0.365 20 0 BCADHM CCS(=O)(=O)[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000105714011 384878377 /nfs/dbraw/zinc/87/83/77/384878377.db2.gz IYESKSWJLXOJLD-ZETCQYMHSA-N -1 3 246.288 0.745 20 0 BCADHM O=C(Cn1cnnn1)Nc1cccc([O-])c1F ZINC000536463709 384853421 /nfs/dbraw/zinc/85/34/21/384853421.db2.gz QBIROVPEIIZBTQ-UHFFFAOYSA-N -1 3 237.194 0.157 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC(C)(O)C2)c1 ZINC000084352308 384863468 /nfs/dbraw/zinc/86/34/68/384863468.db2.gz UBXXDEXSWUVBGS-UHFFFAOYSA-N -1 3 221.256 0.907 20 0 BCADHM O=C(NCC(C1CC1)C1CC1)c1c[n-]nn1 ZINC000085629159 384957929 /nfs/dbraw/zinc/95/79/29/384957929.db2.gz NMYKYRRKPXONHI-UHFFFAOYSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NCC(C1CC1)C1CC1)c1cnn[n-]1 ZINC000085629159 384957938 /nfs/dbraw/zinc/95/79/38/384957938.db2.gz NMYKYRRKPXONHI-UHFFFAOYSA-N -1 3 220.276 0.971 20 0 BCADHM O=C(NCC(C1CC1)C1CC1)c1cn[n-]n1 ZINC000085629159 384957943 /nfs/dbraw/zinc/95/79/43/384957943.db2.gz NMYKYRRKPXONHI-UHFFFAOYSA-N -1 3 220.276 0.971 20 0 BCADHM COC[C@H]([N-]S(C)(=O)=O)c1ccco1 ZINC000175355318 384898637 /nfs/dbraw/zinc/89/86/37/384898637.db2.gz JAJPZJROEVUYBB-ZETCQYMHSA-N -1 3 219.262 0.516 20 0 BCADHM CCCC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000566161933 384910330 /nfs/dbraw/zinc/91/03/30/384910330.db2.gz KBSBUEBFLGNLLF-UHFFFAOYSA-N -1 3 217.294 0.499 20 0 BCADHM CC[C@H]1C(=O)NCCN1C(=O)c1cccc([O-])c1 ZINC000106362172 384913682 /nfs/dbraw/zinc/91/36/82/384913682.db2.gz CBCVPKJVHMXXRM-NSHDSACASA-N -1 3 248.282 0.743 20 0 BCADHM CC(C)[C@H]1C[C@@H](NC(=O)c2c[n-]nn2)CCO1 ZINC000271753905 384918244 /nfs/dbraw/zinc/91/82/44/384918244.db2.gz ZVPCWPMUZPZDOV-WCBMZHEXSA-N -1 3 238.291 0.738 20 0 BCADHM CC(C)[C@H]1C[C@@H](NC(=O)c2cnn[n-]2)CCO1 ZINC000271753905 384918258 /nfs/dbraw/zinc/91/82/58/384918258.db2.gz ZVPCWPMUZPZDOV-WCBMZHEXSA-N -1 3 238.291 0.738 20 0 BCADHM CC(C)[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)CCO1 ZINC000271753905 384918263 /nfs/dbraw/zinc/91/82/63/384918263.db2.gz ZVPCWPMUZPZDOV-WCBMZHEXSA-N -1 3 238.291 0.738 20 0 BCADHM CC(C)[C@@H]1C[C@@H](NC(=O)c2c[n-]nn2)CCO1 ZINC000271753906 384920552 /nfs/dbraw/zinc/92/05/52/384920552.db2.gz ZVPCWPMUZPZDOV-WPRPVWTQSA-N -1 3 238.291 0.738 20 0 BCADHM CC(C)[C@@H]1C[C@@H](NC(=O)c2cnn[n-]2)CCO1 ZINC000271753906 384920558 /nfs/dbraw/zinc/92/05/58/384920558.db2.gz ZVPCWPMUZPZDOV-WPRPVWTQSA-N -1 3 238.291 0.738 20 0 BCADHM CC(C)[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)CCO1 ZINC000271753906 384920565 /nfs/dbraw/zinc/92/05/65/384920565.db2.gz ZVPCWPMUZPZDOV-WPRPVWTQSA-N -1 3 238.291 0.738 20 0 BCADHM NC(=O)C[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000644512143 384924047 /nfs/dbraw/zinc/92/40/47/384924047.db2.gz LGOJSIZBRSSTPQ-SECBINFHSA-N -1 3 248.282 0.730 20 0 BCADHM COC(=O)[C@@H](C)NCc1nc(C)ccc1[O-] ZINC000085972936 384976319 /nfs/dbraw/zinc/97/63/19/384976319.db2.gz DPDLGEZYWDKCGS-MRVPVSSYSA-N -1 3 224.260 0.747 20 0 BCADHM COc1nc(NC(=O)[C@@H]2C[C@]23CCOC3)n[n-]1 ZINC000364090837 384979192 /nfs/dbraw/zinc/97/91/92/384979192.db2.gz ACMFUKRGJIZQGZ-WKEGUHRASA-N -1 3 238.247 0.178 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2C[C@]23CCOC3)[n-]1 ZINC000364090837 384979196 /nfs/dbraw/zinc/97/91/96/384979196.db2.gz ACMFUKRGJIZQGZ-WKEGUHRASA-N -1 3 238.247 0.178 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@]23CCOC3)n1 ZINC000364090837 384979201 /nfs/dbraw/zinc/97/92/01/384979201.db2.gz ACMFUKRGJIZQGZ-WKEGUHRASA-N -1 3 238.247 0.178 20 0 BCADHM CSCCCn1cc(Cl)c(=O)[n-]c1=O ZINC000129911861 385013384 /nfs/dbraw/zinc/01/33/84/385013384.db2.gz FFLYFWHRSVEEIM-UHFFFAOYSA-N -1 3 234.708 0.943 20 0 BCADHM CCN(CC(N)=O)C(=O)c1cccc(C)c1[O-] ZINC000188463809 385054918 /nfs/dbraw/zinc/05/49/18/385054918.db2.gz SKYCHRAWKCSUDN-UHFFFAOYSA-N -1 3 236.271 0.648 20 0 BCADHM C[C@H](O)CC[N-]S(=O)(=O)c1ccco1 ZINC000188706897 385084296 /nfs/dbraw/zinc/08/42/96/385084296.db2.gz CXGWQCJDQPUJAI-ZETCQYMHSA-N -1 3 219.262 0.329 20 0 BCADHM CN1C[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000646921414 385060309 /nfs/dbraw/zinc/06/03/09/385060309.db2.gz AOZIFQWHWBOUOQ-NXEZZACHSA-N -1 3 247.298 0.563 20 0 BCADHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188529686 385063255 /nfs/dbraw/zinc/06/32/55/385063255.db2.gz OQKMTUZYBDEIET-JGVFFNPUSA-N -1 3 233.289 0.981 20 0 BCADHM C[C@@H](CO)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646913645 385066608 /nfs/dbraw/zinc/06/66/08/385066608.db2.gz KRWPCXNXAGEVDX-SSDOTTSWSA-N -1 3 249.270 0.627 20 0 BCADHM CC(C)(O)C[N-]S(=O)(=O)c1ccco1 ZINC000188710607 385082413 /nfs/dbraw/zinc/08/24/13/385082413.db2.gz UWALFAZJOVOIBX-UHFFFAOYSA-N -1 3 219.262 0.329 20 0 BCADHM CCC[C@H](CCO)CNC(=O)c1c[n-]nn1 ZINC000176187738 385033631 /nfs/dbraw/zinc/03/36/31/385033631.db2.gz AYAPCNZCNCMSFD-MRVPVSSYSA-N -1 3 226.280 0.333 20 0 BCADHM CCC[C@H](CCO)CNC(=O)c1cnn[n-]1 ZINC000176187738 385033635 /nfs/dbraw/zinc/03/36/35/385033635.db2.gz AYAPCNZCNCMSFD-MRVPVSSYSA-N -1 3 226.280 0.333 20 0 BCADHM CCC[C@H](CCO)CNC(=O)c1cn[n-]n1 ZINC000176187738 385033643 /nfs/dbraw/zinc/03/36/43/385033643.db2.gz AYAPCNZCNCMSFD-MRVPVSSYSA-N -1 3 226.280 0.333 20 0 BCADHM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccco1 ZINC000188766366 385087856 /nfs/dbraw/zinc/08/78/56/385087856.db2.gz BSJIMDBCHKBKFI-ZETCQYMHSA-N -1 3 247.272 0.367 20 0 BCADHM COC[C@H]([N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000188782235 385089928 /nfs/dbraw/zinc/08/99/28/385089928.db2.gz BXRUIDDPDDQDHG-VIFPVBQESA-N -1 3 245.300 0.983 20 0 BCADHM C[C@@H]1C[C@H]1c1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000516899454 385106082 /nfs/dbraw/zinc/10/60/82/385106082.db2.gz ORUDHKCVQNQNEZ-PHDIDXHHSA-N -1 3 236.231 0.245 20 0 BCADHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000305208304 385197508 /nfs/dbraw/zinc/19/75/08/385197508.db2.gz NUNNZFSDNWJPRS-VIFPVBQESA-N -1 3 247.320 0.095 20 0 BCADHM COC[C@H](CCO)NC(=O)c1cccc([O-])c1 ZINC000227686584 385202655 /nfs/dbraw/zinc/20/26/55/385202655.db2.gz QPYUVVVKGMIHGF-JTQLQIEISA-N -1 3 239.271 0.519 20 0 BCADHM COC(=O)C1(NC(=O)c2ccccc2[O-])CC1 ZINC000152407162 385181047 /nfs/dbraw/zinc/18/10/47/385181047.db2.gz TYESSNCRUMKWRE-UHFFFAOYSA-N -1 3 235.239 0.828 20 0 BCADHM COc1ncncc1CNC1(C(=O)[O-])CCC1 ZINC000647646880 385223294 /nfs/dbraw/zinc/22/32/94/385223294.db2.gz RKKNOPNCMONKEN-UHFFFAOYSA-N -1 3 237.259 0.582 20 0 BCADHM CS[C@@H](C)CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000130197890 385228174 /nfs/dbraw/zinc/22/81/74/385228174.db2.gz QAHDBRYHERONNW-ZETCQYMHSA-N -1 3 241.316 0.972 20 0 BCADHM CC[C@@H](C(=O)[N-]OCc1cccnc1)N(C)C ZINC000153269437 385243599 /nfs/dbraw/zinc/24/35/99/385243599.db2.gz VCMREHVUBJKNBY-NSHDSACASA-N -1 3 237.303 0.970 20 0 BCADHM CCc1ccc(C(=O)NCCC(N)=O)c([O-])c1 ZINC000191756814 385322044 /nfs/dbraw/zinc/32/20/44/385322044.db2.gz FKYCISLVFKZPGJ-UHFFFAOYSA-N -1 3 236.271 0.560 20 0 BCADHM CCN1CCCC[C@H]1CNC(=O)[C@@H](C)C(=O)[O-] ZINC000647140419 385261274 /nfs/dbraw/zinc/26/12/74/385261274.db2.gz DFOJIBOVJUZTLB-ZJUUUORDSA-N -1 3 242.319 0.698 20 0 BCADHM COC1CN(C(=O)c2c([O-])cccc2O)C1 ZINC000309225346 385271058 /nfs/dbraw/zinc/27/10/58/385271058.db2.gz RQIFYUMSZGGQKI-UHFFFAOYSA-N -1 3 223.228 0.569 20 0 BCADHM NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000407981240 385289025 /nfs/dbraw/zinc/28/90/25/385289025.db2.gz SAFKVQKAPJKHDT-UHFFFAOYSA-N -1 3 249.270 0.229 20 0 BCADHM COC(=O)NCCCC(=O)[N-]C1=NCCS1 ZINC000491272771 385291638 /nfs/dbraw/zinc/29/16/38/385291638.db2.gz FVZDDVUASVXDFM-UHFFFAOYSA-N -1 3 245.304 0.342 20 0 BCADHM CC(C)[C@H](O)CNC(=O)c1ccc(O)cc1[O-] ZINC000166982148 385292322 /nfs/dbraw/zinc/29/23/22/385292322.db2.gz VTIIYINMNJFGOP-LLVKDONJSA-N -1 3 239.271 0.845 20 0 BCADHM CC(C)(CCO)NC(=O)c1ccc(O)cc1[O-] ZINC000166989718 385293316 /nfs/dbraw/zinc/29/33/16/385293316.db2.gz VYPGSVAEENDXLT-UHFFFAOYSA-N -1 3 239.271 0.989 20 0 BCADHM COC[C@@H](O)CCNC(=O)c1ccccc1[O-] ZINC000130953124 385296774 /nfs/dbraw/zinc/29/67/74/385296774.db2.gz XXDJBUPRFMBGKJ-VIFPVBQESA-N -1 3 239.271 0.519 20 0 BCADHM CC(C)(CNC(=O)c1ccccc1[O-])C(N)=O ZINC000154543870 385336640 /nfs/dbraw/zinc/33/66/40/385336640.db2.gz SVFAFMJKLGAWPP-UHFFFAOYSA-N -1 3 236.271 0.634 20 0 BCADHM CCN(CCO)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192571587 385363493 /nfs/dbraw/zinc/36/34/93/385363493.db2.gz CBSIAWUZTGRPQX-VIFPVBQESA-N -1 3 225.292 0.866 20 0 BCADHM CN(CCO)C(=O)c1c([O-])cccc1O ZINC000180844050 385397320 /nfs/dbraw/zinc/39/73/20/385397320.db2.gz OMPOOJMVCUPDDL-UHFFFAOYSA-N -1 3 211.217 0.162 20 0 BCADHM c1c(Cc2nnn[n-]2)nc2ccccn12 ZINC000020077607 385411280 /nfs/dbraw/zinc/41/12/80/385411280.db2.gz MNVBDIDUJYNGSV-UHFFFAOYSA-N -1 3 200.205 0.438 20 0 BCADHM c1c(Cc2nn[n-]n2)nc2ccccn12 ZINC000020077607 385411285 /nfs/dbraw/zinc/41/12/85/385411285.db2.gz MNVBDIDUJYNGSV-UHFFFAOYSA-N -1 3 200.205 0.438 20 0 BCADHM C[C@]([N-]C(=O)C(F)F)(C(N)=O)c1ccccc1 ZINC000194494896 385437969 /nfs/dbraw/zinc/43/79/69/385437969.db2.gz MXLPJMACKKQXFK-LLVKDONJSA-N -1 3 242.225 0.768 20 0 BCADHM C[C@H](O)c1ccc(CNC(=O)c2c[n-]nn2)cc1 ZINC000171127809 385469235 /nfs/dbraw/zinc/46/92/35/385469235.db2.gz OWHDGFGICSUNHZ-QMMMGPOBSA-N -1 3 246.270 0.788 20 0 BCADHM C[C@H](O)c1ccc(CNC(=O)c2cnn[n-]2)cc1 ZINC000171127809 385469236 /nfs/dbraw/zinc/46/92/36/385469236.db2.gz OWHDGFGICSUNHZ-QMMMGPOBSA-N -1 3 246.270 0.788 20 0 BCADHM C[C@H](O)c1ccc(CNC(=O)c2cn[n-]n2)cc1 ZINC000171127809 385469241 /nfs/dbraw/zinc/46/92/41/385469241.db2.gz OWHDGFGICSUNHZ-QMMMGPOBSA-N -1 3 246.270 0.788 20 0 BCADHM Cn1cc([N-]S(=O)(=O)C2CC2)cn1 ZINC000171142726 385469535 /nfs/dbraw/zinc/46/95/35/385469535.db2.gz OSEKSIVAWZAOAA-UHFFFAOYSA-N -1 3 201.251 0.324 20 0 BCADHM COC(=O)[C@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000171179630 385471557 /nfs/dbraw/zinc/47/15/57/385471557.db2.gz VPCZDDQUFPMZSZ-RQJHMYQMSA-N -1 3 236.227 0.535 20 0 BCADHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CCNC2=O)c1 ZINC000334224958 385522328 /nfs/dbraw/zinc/52/23/28/385522328.db2.gz HPNDGYCKBGDLOG-JTQLQIEISA-N -1 3 248.282 0.661 20 0 BCADHM C[C@H]1C[C@H](C(=O)Nc2ncccc2[O-])CC(=O)N1 ZINC000408162576 385581316 /nfs/dbraw/zinc/58/13/16/385581316.db2.gz XOAQVIQIFKGVEI-YUMQZZPRSA-N -1 3 249.270 0.640 20 0 BCADHM CCCc1nsc([N-][C@H](CO)C(=O)NC)n1 ZINC000309438093 385582018 /nfs/dbraw/zinc/58/20/18/385582018.db2.gz HVRJECYGTALRGL-ZCFIWIBFSA-N -1 3 244.320 0.009 20 0 BCADHM CCC[C@H](O)C[N-]S(=O)(=O)Cc1ccon1 ZINC000269775848 385634949 /nfs/dbraw/zinc/63/49/49/385634949.db2.gz NSXOXSGSAJDDTF-VIFPVBQESA-N -1 3 248.304 0.255 20 0 BCADHM Cn1cncc1CNCc1ncccc1[O-] ZINC000309475923 385608071 /nfs/dbraw/zinc/60/80/71/385608071.db2.gz BXLSQWFHEBNYSZ-UHFFFAOYSA-N -1 3 218.260 0.811 20 0 BCADHM CCCc1nc(=NC[C@](C)(N)COC)s[n-]1 ZINC000336683532 385649570 /nfs/dbraw/zinc/64/95/70/385649570.db2.gz SILDGLNNFVGJAV-JTQLQIEISA-N -1 3 244.364 0.688 20 0 BCADHM C[C@@H](CO)N(C)C(=O)c1ccccc1[O-] ZINC000159193004 385674473 /nfs/dbraw/zinc/67/44/73/385674473.db2.gz JADOVPQGNQMIHQ-QMMMGPOBSA-N -1 3 209.245 0.845 20 0 BCADHM C[C@@H]1CN(Cc2nc3c(cnn3C)c(=O)[n-]2)[C@@H]1C ZINC000645218066 385679449 /nfs/dbraw/zinc/67/94/49/385679449.db2.gz BJGJEJJTPVJJFT-HTQZYQBOSA-N -1 3 247.302 0.909 20 0 BCADHM Cn1nccc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000337517664 385701356 /nfs/dbraw/zinc/70/13/56/385701356.db2.gz NARSNDKICGIYNJ-UHFFFAOYSA-N -1 3 229.247 0.072 20 0 BCADHM CCN(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000337626631 385735388 /nfs/dbraw/zinc/73/53/88/385735388.db2.gz ARRLVLZZPASKIL-UHFFFAOYSA-N -1 3 223.276 0.820 20 0 BCADHM CSCC(=O)Nc1nnc(SCCO)[n-]1 ZINC000270930880 385760829 /nfs/dbraw/zinc/76/08/29/385760829.db2.gz XYOWDHGGLSNICB-UHFFFAOYSA-N -1 3 248.333 0.191 20 0 BCADHM CSCC(=O)Nc1nc(SCCO)n[n-]1 ZINC000270930880 385760832 /nfs/dbraw/zinc/76/08/32/385760832.db2.gz XYOWDHGGLSNICB-UHFFFAOYSA-N -1 3 248.333 0.191 20 0 BCADHM CSCC(=O)Nc1n[n-]c(SCCO)n1 ZINC000270930880 385760850 /nfs/dbraw/zinc/76/08/50/385760850.db2.gz XYOWDHGGLSNICB-UHFFFAOYSA-N -1 3 248.333 0.191 20 0 BCADHM CC1(O)CC(C(=O)NCc2ncccc2[O-])C1 ZINC000451345816 385782697 /nfs/dbraw/zinc/78/26/97/385782697.db2.gz SJHBIJAZGKPENM-UHFFFAOYSA-N -1 3 236.271 0.564 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)CO)n1 ZINC000282769179 385784918 /nfs/dbraw/zinc/78/49/18/385784918.db2.gz LOLSVJIPFJUXPW-QMMMGPOBSA-N -1 3 225.292 0.557 20 0 BCADHM CO[N-]C(=O)Cc1ccc(C(=O)OC)cc1 ZINC000294258111 385830149 /nfs/dbraw/zinc/83/01/49/385830149.db2.gz CPVCWPMDMOZXNH-UHFFFAOYSA-N -1 3 223.228 0.693 20 0 BCADHM Cc1ccc([O-])c(CN2CCO[C@@H](CO)C2)n1 ZINC000271171384 385796861 /nfs/dbraw/zinc/79/68/61/385796861.db2.gz JCSQWKNGABNNQQ-SNVBAGLBSA-N -1 3 238.287 0.289 20 0 BCADHM CC[C@H](OC)C(=O)Nc1nnc(OC)[n-]1 ZINC000272420785 385902055 /nfs/dbraw/zinc/90/20/55/385902055.db2.gz GNSHXSPZQOBBIB-YFKPBYRVSA-N -1 3 214.225 0.177 20 0 BCADHM CC[C@H](OC)C(=O)Nc1n[n-]c(OC)n1 ZINC000272420785 385902058 /nfs/dbraw/zinc/90/20/58/385902058.db2.gz GNSHXSPZQOBBIB-YFKPBYRVSA-N -1 3 214.225 0.177 20 0 BCADHM CC[C@H](OC)C(=O)Nc1nc(OC)n[n-]1 ZINC000272420785 385902061 /nfs/dbraw/zinc/90/20/61/385902061.db2.gz GNSHXSPZQOBBIB-YFKPBYRVSA-N -1 3 214.225 0.177 20 0 BCADHM Cc1ccc([O-])c(C(=O)NN2CCCNC2=O)c1 ZINC000272426953 385902125 /nfs/dbraw/zinc/90/21/25/385902125.db2.gz CIVYGSUFEASJMQ-UHFFFAOYSA-N -1 3 249.270 0.761 20 0 BCADHM CCC[C@H]([N-]S(=O)(=O)c1ccoc1)C(N)=O ZINC000285262736 385911803 /nfs/dbraw/zinc/91/18/03/385911803.db2.gz DCGWMECLKGNNNO-QMMMGPOBSA-N -1 3 246.288 0.212 20 0 BCADHM CS(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000284272867 385860586 /nfs/dbraw/zinc/86/05/86/385860586.db2.gz WAVCJWJJHUZXHK-UHFFFAOYSA-N -1 3 229.183 0.800 20 0 BCADHM C[C@H]1OC(=O)N[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000496568495 385927975 /nfs/dbraw/zinc/92/79/75/385927975.db2.gz HGPILUVOMSJBSK-VDTYLAMSSA-N -1 3 237.215 0.223 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc3[n-]nnc32)CCO1 ZINC000182690152 385882403 /nfs/dbraw/zinc/88/24/03/385882403.db2.gz BXTUAQHXHVBXDF-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc3nn[n-]c32)CCO1 ZINC000182690152 385882405 /nfs/dbraw/zinc/88/24/05/385882405.db2.gz BXTUAQHXHVBXDF-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc3n[n-]nc32)CCO1 ZINC000182690152 385882407 /nfs/dbraw/zinc/88/24/07/385882407.db2.gz BXTUAQHXHVBXDF-QMMMGPOBSA-N -1 3 246.270 0.819 20 0 BCADHM CC[C@H](OC)C(=O)NCc1cnc(C)[n-]c1=O ZINC000345095363 385994955 /nfs/dbraw/zinc/99/49/55/385994955.db2.gz MHKDOBWHCYRHHK-VIFPVBQESA-N -1 3 239.275 0.532 20 0 BCADHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000342170803 385950874 /nfs/dbraw/zinc/95/08/74/385950874.db2.gz IBULFAFXKNMYDF-BQBZGAKWSA-N -1 3 233.293 0.111 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC000273437739 386000202 /nfs/dbraw/zinc/00/02/02/386000202.db2.gz FMYULOHNAWIHDA-QMMMGPOBSA-N -1 3 249.270 0.512 20 0 BCADHM Cc1ccc([O-])c(NC(=O)CCn2cncn2)n1 ZINC000273446290 386001063 /nfs/dbraw/zinc/00/10/63/386001063.db2.gz GSQHKAYZSVIVOQ-UHFFFAOYSA-N -1 3 247.258 0.716 20 0 BCADHM CCON=C([O-])Nc1ccn(CC(=O)OC)n1 ZINC000273580687 386013843 /nfs/dbraw/zinc/01/38/43/386013843.db2.gz DRHAKKDIFMNOEY-UHFFFAOYSA-N -1 3 242.235 0.129 20 0 BCADHM CCO[N-]C(=O)Nc1ccn(CC(=O)OC)n1 ZINC000273580687 386013849 /nfs/dbraw/zinc/01/38/49/386013849.db2.gz DRHAKKDIFMNOEY-UHFFFAOYSA-N -1 3 242.235 0.129 20 0 BCADHM CC/C=C/CCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000295385646 386024672 /nfs/dbraw/zinc/02/46/72/386024672.db2.gz QMCULDJCONZBHM-CYNONHLPSA-N -1 3 246.332 0.750 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1ccoc1)c1nc[nH]n1 ZINC000286332576 386026036 /nfs/dbraw/zinc/02/60/36/386026036.db2.gz IFVZFGIRNCTWJG-LURJTMIESA-N -1 3 242.260 0.437 20 0 BCADHM CC(C)N(C)CCNS(=O)(=O)c1ncc[n-]1 ZINC000309244563 385997009 /nfs/dbraw/zinc/99/70/09/385997009.db2.gz LOXZWVOLIXWDOT-UHFFFAOYSA-N -1 3 246.336 0.028 20 0 BCADHM CO[C@H](C)CCNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000338705519 386117072 /nfs/dbraw/zinc/11/70/72/386117072.db2.gz XKTZGYKDJQWAAU-MRVPVSSYSA-N -1 3 239.275 0.645 20 0 BCADHM CN(CCNC(=O)c1cncc([O-])c1)C1CC1 ZINC000111740086 386096785 /nfs/dbraw/zinc/09/67/85/386096785.db2.gz DGEOKFTTXGMZNE-UHFFFAOYSA-N -1 3 235.287 0.611 20 0 BCADHM CCS(=O)(=O)[N-]c1ncccc1F ZINC000130336661 386152653 /nfs/dbraw/zinc/15/26/53/386152653.db2.gz VVHQTAICDOXIDT-UHFFFAOYSA-N -1 3 204.226 0.982 20 0 BCADHM C[C@@]1(C(N)=O)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000235429654 386164154 /nfs/dbraw/zinc/16/41/54/386164154.db2.gz WQMPTHBKAKMKME-CYBMUJFWSA-N -1 3 248.282 0.730 20 0 BCADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1nnc(SC)[n-]1 ZINC000263890814 386187539 /nfs/dbraw/zinc/18/75/39/386187539.db2.gz ZPZUFDWTQJYSEO-NTSWFWBYSA-N -1 3 242.304 0.890 20 0 BCADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1nc(SC)n[n-]1 ZINC000263890814 386187545 /nfs/dbraw/zinc/18/75/45/386187545.db2.gz ZPZUFDWTQJYSEO-NTSWFWBYSA-N -1 3 242.304 0.890 20 0 BCADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1n[n-]c(SC)n1 ZINC000263890814 386187549 /nfs/dbraw/zinc/18/75/49/386187549.db2.gz ZPZUFDWTQJYSEO-NTSWFWBYSA-N -1 3 242.304 0.890 20 0 BCADHM CC[C@@H](C[C@H](C)CO)NC(=O)c1c[n-]nn1 ZINC000340287831 386214839 /nfs/dbraw/zinc/21/48/39/386214839.db2.gz NTXKNWWRRDNCIG-YUMQZZPRSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@@H](C[C@H](C)CO)NC(=O)c1cnn[n-]1 ZINC000340287831 386214848 /nfs/dbraw/zinc/21/48/48/386214848.db2.gz NTXKNWWRRDNCIG-YUMQZZPRSA-N -1 3 226.280 0.332 20 0 BCADHM CC[C@@H](C[C@H](C)CO)NC(=O)c1cn[n-]n1 ZINC000340287831 386214856 /nfs/dbraw/zinc/21/48/56/386214856.db2.gz NTXKNWWRRDNCIG-YUMQZZPRSA-N -1 3 226.280 0.332 20 0 BCADHM C[C@H](F)CC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000339031673 386217961 /nfs/dbraw/zinc/21/79/61/386217961.db2.gz FHAISYQRWGLPBT-ZETCQYMHSA-N -1 3 235.284 0.447 20 0 BCADHM O=S(=O)([N-]Cc1ccoc1)c1c[nH]cn1 ZINC000125100635 386225332 /nfs/dbraw/zinc/22/53/32/386225332.db2.gz VAIZRIYJKFCACT-UHFFFAOYSA-N -1 3 227.245 0.481 20 0 BCADHM CN(C)CCN(C(=O)c1cncc([O-])c1)C1CC1 ZINC000356285884 386256434 /nfs/dbraw/zinc/25/64/34/386256434.db2.gz WWEALDDEJBZDPT-UHFFFAOYSA-N -1 3 249.314 0.953 20 0 BCADHM C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)[C@H](C)CO ZINC000131250144 386200157 /nfs/dbraw/zinc/20/01/57/386200157.db2.gz GABLECAUGOYIFM-HTQZYQBOSA-N -1 3 248.286 0.705 20 0 BCADHM Cn1[n-]c(CN2CCC(C)(C)C2)nc1=O ZINC000335355173 386200450 /nfs/dbraw/zinc/20/04/50/386200450.db2.gz IFRIJQMVICMZJS-UHFFFAOYSA-N -1 3 210.281 0.340 20 0 BCADHM CCC[C@H](C)C(=O)Nc1[n-]nnc1C(=O)NC ZINC000297821184 386282281 /nfs/dbraw/zinc/28/22/81/386282281.db2.gz UVMKBXKIFFOZNH-LURJTMIESA-N -1 3 239.279 0.539 20 0 BCADHM CCC[C@H](C)C(=O)Nc1nn[n-]c1C(=O)NC ZINC000297821184 386282286 /nfs/dbraw/zinc/28/22/86/386282286.db2.gz UVMKBXKIFFOZNH-LURJTMIESA-N -1 3 239.279 0.539 20 0 BCADHM CCC[C@H](C)C(=O)Nc1n[n-]nc1C(=O)NC ZINC000297821184 386282289 /nfs/dbraw/zinc/28/22/89/386282289.db2.gz UVMKBXKIFFOZNH-LURJTMIESA-N -1 3 239.279 0.539 20 0 BCADHM O=C(CC1CC1)Nc1[n-]nnc1C(=O)NC1CC1 ZINC000297875164 386283602 /nfs/dbraw/zinc/28/36/02/386283602.db2.gz ZZRTVFJTTGIQGD-UHFFFAOYSA-N -1 3 249.274 0.436 20 0 BCADHM O=C(CC1CC1)Nc1nn[n-]c1C(=O)NC1CC1 ZINC000297875164 386283608 /nfs/dbraw/zinc/28/36/08/386283608.db2.gz ZZRTVFJTTGIQGD-UHFFFAOYSA-N -1 3 249.274 0.436 20 0 BCADHM O=C(CC1CC1)Nc1n[n-]nc1C(=O)NC1CC1 ZINC000297875164 386283609 /nfs/dbraw/zinc/28/36/09/386283609.db2.gz ZZRTVFJTTGIQGD-UHFFFAOYSA-N -1 3 249.274 0.436 20 0 BCADHM CCC[C@H](C)CC(=O)Nc1[n-]nnc1C(N)=O ZINC000297950033 386289666 /nfs/dbraw/zinc/28/96/66/386289666.db2.gz ZYVPDGMOYCIIMY-LURJTMIESA-N -1 3 239.279 0.668 20 0 BCADHM CCC[C@H](C)CC(=O)Nc1nn[n-]c1C(N)=O ZINC000297950033 386289669 /nfs/dbraw/zinc/28/96/69/386289669.db2.gz ZYVPDGMOYCIIMY-LURJTMIESA-N -1 3 239.279 0.668 20 0 BCADHM CCC[C@H](C)CC(=O)Nc1n[n-]nc1C(N)=O ZINC000297950033 386289677 /nfs/dbraw/zinc/28/96/77/386289677.db2.gz ZYVPDGMOYCIIMY-LURJTMIESA-N -1 3 239.279 0.668 20 0 BCADHM C[C@H](NC(N)=O)C(=O)Nc1cc(F)ccc1[O-] ZINC000340314498 386294916 /nfs/dbraw/zinc/29/49/16/386294916.db2.gz BPDBUSQZDLFNRY-YFKPBYRVSA-N -1 3 241.222 0.527 20 0 BCADHM O=C(c1ccc2n[n-]nc2c1)N1CCC1 ZINC000298084098 386295332 /nfs/dbraw/zinc/29/53/32/386295332.db2.gz PWCQJUCINKXBNB-UHFFFAOYSA-N -1 3 202.217 0.804 20 0 BCADHM CCN(CC)c1nc([O-])c(CC(=O)NC)s1 ZINC000298210458 386307931 /nfs/dbraw/zinc/30/79/31/386307931.db2.gz UNUAHGXOSQPPJH-ZETCQYMHSA-N -1 3 243.332 0.462 20 0 BCADHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000276061627 386268493 /nfs/dbraw/zinc/26/84/93/386268493.db2.gz IRBBVUZKFPYZLN-JGVFFNPUSA-N -1 3 247.320 0.122 20 0 BCADHM CC[C@@H](C)CC(=O)Nc1[n-]nnc1C(=O)NC ZINC000297638750 386270650 /nfs/dbraw/zinc/27/06/50/386270650.db2.gz DCFDEFZWBJALKL-ZCFIWIBFSA-N -1 3 239.279 0.539 20 0 BCADHM CC[C@@H](C)CC(=O)Nc1nn[n-]c1C(=O)NC ZINC000297638750 386270655 /nfs/dbraw/zinc/27/06/55/386270655.db2.gz DCFDEFZWBJALKL-ZCFIWIBFSA-N -1 3 239.279 0.539 20 0 BCADHM CC[C@@H](C)CC(=O)Nc1n[n-]nc1C(=O)NC ZINC000297638750 386270659 /nfs/dbraw/zinc/27/06/59/386270659.db2.gz DCFDEFZWBJALKL-ZCFIWIBFSA-N -1 3 239.279 0.539 20 0 BCADHM CCN(CC)S(=O)(=O)[N-]c1cnn(C)c1 ZINC000264868943 386277580 /nfs/dbraw/zinc/27/75/80/386277580.db2.gz QNSDOIAJYDNSHH-UHFFFAOYSA-N -1 3 232.309 0.419 20 0 BCADHM CN(Cc1cc([O-])cc(F)c1)[C@@H]1COC[C@H]1O ZINC000289266521 386277843 /nfs/dbraw/zinc/27/78/43/386277843.db2.gz FYZSJNAYTCELBJ-VXGBXAGGSA-N -1 3 241.262 0.723 20 0 BCADHM O=S(=O)([N-]CCCCO)c1ccccc1F ZINC000236502959 386278319 /nfs/dbraw/zinc/27/83/19/386278319.db2.gz FZLFZGZZHYZCLC-UHFFFAOYSA-N -1 3 247.291 0.877 20 0 BCADHM CC(C)CCNC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000298415416 386340880 /nfs/dbraw/zinc/34/08/80/386340880.db2.gz JYJNJSRHRSNUMC-UHFFFAOYSA-N -1 3 239.275 0.262 20 0 BCADHM C[C@@H]1CCCN1C(=O)c1cn(C)c(=O)[n-]c1=O ZINC000408406263 386361376 /nfs/dbraw/zinc/36/13/76/386361376.db2.gz PUEFSPGNQAXDEI-SSDOTTSWSA-N -1 3 237.259 0.110 20 0 BCADHM COC(=O)CCNC(=O)c1ccc([O-])c(C)c1 ZINC000226715639 386367873 /nfs/dbraw/zinc/36/78/73/386367873.db2.gz NRWJKLZVNWHBPB-UHFFFAOYSA-N -1 3 237.255 0.994 20 0 BCADHM O=S(=O)([N-]C[C@@H]1CC[C@H](O)C1)c1ccco1 ZINC000276749316 386371991 /nfs/dbraw/zinc/37/19/91/386371991.db2.gz SQWYWWBRXNSLQA-BDAKNGLRSA-N -1 3 245.300 0.719 20 0 BCADHM Cc1cc(C(=O)N2CCNC(=O)[C@H]2C)ccc1[O-] ZINC000226995589 386443185 /nfs/dbraw/zinc/44/31/85/386443185.db2.gz PWIZROXPSBBQPC-SECBINFHSA-N -1 3 248.282 0.661 20 0 BCADHM Cc1cc(C(=O)N[C@H]2CCCNC2=O)ccc1[O-] ZINC000227023963 386448079 /nfs/dbraw/zinc/44/80/79/386448079.db2.gz GWJBMKPWLPJCNF-JTQLQIEISA-N -1 3 248.282 0.709 20 0 BCADHM Cc1cc(C(=O)N2CC[C@H](C(N)=O)C2)ccc1[O-] ZINC000227026855 386450808 /nfs/dbraw/zinc/45/08/08/386450808.db2.gz ZAKFPNULYRDDQM-JTQLQIEISA-N -1 3 248.282 0.648 20 0 BCADHM C=Cn1cc(CN[C@@]2(C(=O)[O-])CCOC2)cn1 ZINC000417566077 386396051 /nfs/dbraw/zinc/39/60/51/386396051.db2.gz LSMJHMPFWQACBP-NSHDSACASA-N -1 3 237.259 0.317 20 0 BCADHM CC(C)(C)CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000266118633 386399917 /nfs/dbraw/zinc/39/99/17/386399917.db2.gz HMHDSDWLFBWJDC-UHFFFAOYSA-N -1 3 240.263 0.246 20 0 BCADHM C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)N(C)C ZINC000277040372 386400241 /nfs/dbraw/zinc/40/02/41/386400241.db2.gz MDHBNPZQHZGAEP-ZETCQYMHSA-N -1 3 246.288 0.035 20 0 BCADHM C[C@H](N(C)Cc1nc(=O)n(C)[n-]1)C1(C)CC1 ZINC000347456111 386412498 /nfs/dbraw/zinc/41/24/98/386412498.db2.gz CMDBPVYOXRNXTQ-QMMMGPOBSA-N -1 3 224.308 0.729 20 0 BCADHM C=Cn1cc(CN[C@@](C)(COC)C(=O)[O-])cn1 ZINC000417595186 386424325 /nfs/dbraw/zinc/42/43/25/386424325.db2.gz XMUSPYKNVFNJPK-NSHDSACASA-N -1 3 239.275 0.563 20 0 BCADHM CCCCCNC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000266336717 386427595 /nfs/dbraw/zinc/42/75/95/386427595.db2.gz WBMXCGOXUZHJLB-UHFFFAOYSA-N -1 3 240.263 0.390 20 0 BCADHM Cn1cc(C(=O)NCCC2CC2)c(=O)[n-]c1=O ZINC000266400076 386433098 /nfs/dbraw/zinc/43/30/98/386433098.db2.gz JYADWVHQFSGPFP-UHFFFAOYSA-N -1 3 237.259 0.016 20 0 BCADHM COC(=O)CNC(=O)c1ccc([O-])c(C)c1 ZINC000226953906 386436404 /nfs/dbraw/zinc/43/64/04/386436404.db2.gz HLGUPXXJDJJIAN-UHFFFAOYSA-N -1 3 223.228 0.603 20 0 BCADHM CC(C)[C@@H](O)CNc1nc2nncc-2c(O)[n-]1 ZINC000290746939 386469573 /nfs/dbraw/zinc/46/95/73/386469573.db2.gz IEKIOMGNLMSHBB-ZETCQYMHSA-N -1 3 237.263 0.487 20 0 BCADHM CC[C@H](COC)Nc1nc2nncc-2c(O)[n-]1 ZINC000290754438 386473246 /nfs/dbraw/zinc/47/32/46/386473246.db2.gz JERCXPQGBKBXOH-ZCFIWIBFSA-N -1 3 237.263 0.895 20 0 BCADHM CCN(CCOC)c1nc2nncc-2c(O)[n-]1 ZINC000291247833 386528891 /nfs/dbraw/zinc/52/88/91/386528891.db2.gz YAUBBIQWLOYMNI-UHFFFAOYSA-N -1 3 237.263 0.531 20 0 BCADHM O=C(NC[C@@H](O)C(F)F)c1ccc(O)cc1[O-] ZINC000227617545 386494808 /nfs/dbraw/zinc/49/48/08/386494808.db2.gz IQBGLCNTLWPMMW-MRVPVSSYSA-N -1 3 247.197 0.454 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@H]1CC12CC2 ZINC000643339625 386508017 /nfs/dbraw/zinc/50/80/17/386508017.db2.gz FOJJOMQVTNHFMZ-SSDOTTSWSA-N -1 3 204.229 0.948 20 0 BCADHM O=C(Nc1ccncc1[O-])[C@@H]1CC12CC2 ZINC000643339626 386508396 /nfs/dbraw/zinc/50/83/96/386508396.db2.gz FOJJOMQVTNHFMZ-ZETCQYMHSA-N -1 3 204.229 0.948 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCC(=O)CC1 ZINC000525864839 386515233 /nfs/dbraw/zinc/51/52/33/386515233.db2.gz IZVGQQKDGVTVPF-UHFFFAOYSA-N -1 3 244.254 0.763 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCC(=O)CC1 ZINC000525864839 386515238 /nfs/dbraw/zinc/51/52/38/386515238.db2.gz IZVGQQKDGVTVPF-UHFFFAOYSA-N -1 3 244.254 0.763 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCC(=O)CC1 ZINC000525864839 386515242 /nfs/dbraw/zinc/51/52/42/386515242.db2.gz IZVGQQKDGVTVPF-UHFFFAOYSA-N -1 3 244.254 0.763 20 0 BCADHM C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1cn[nH]c1 ZINC000339706328 386526031 /nfs/dbraw/zinc/52/60/31/386526031.db2.gz REBBFTRUNRZFJC-LURJTMIESA-N -1 3 229.247 0.623 20 0 BCADHM COC(=O)[C@H]1CC[C@@H]1C(=O)[N-]OC/C=C/Cl ZINC000291908912 386598225 /nfs/dbraw/zinc/59/82/25/386598225.db2.gz SPHQWUGHYNKXLZ-ZASJQLQOSA-N -1 3 247.678 0.986 20 0 BCADHM O=S(=O)(CCF)c1nc2c([n-]1)CCC2 ZINC000335415436 386582856 /nfs/dbraw/zinc/58/28/56/386582856.db2.gz OULJKJVAUBCCTA-UHFFFAOYSA-N -1 3 218.253 0.642 20 0 BCADHM CSCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000267846897 386588989 /nfs/dbraw/zinc/58/89/89/386588989.db2.gz PDJYUAVMMHOLDO-UHFFFAOYSA-N -1 3 229.261 0.498 20 0 BCADHM CSc1nnc(NC(=O)CCCC(N)=O)[n-]1 ZINC000278556755 386545414 /nfs/dbraw/zinc/54/54/14/386545414.db2.gz FCNAXKDCTREKAU-UHFFFAOYSA-N -1 3 243.292 0.121 20 0 BCADHM CSc1n[n-]c(NC(=O)CCCC(N)=O)n1 ZINC000278556755 386545421 /nfs/dbraw/zinc/54/54/21/386545421.db2.gz FCNAXKDCTREKAU-UHFFFAOYSA-N -1 3 243.292 0.121 20 0 BCADHM CSc1nc(NC(=O)CCCC(N)=O)n[n-]1 ZINC000278556755 386545426 /nfs/dbraw/zinc/54/54/26/386545426.db2.gz FCNAXKDCTREKAU-UHFFFAOYSA-N -1 3 243.292 0.121 20 0 BCADHM C[C@H](CCO)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000123628504 386559552 /nfs/dbraw/zinc/55/95/52/386559552.db2.gz QEBZCGIXKIHRPM-SSDOTTSWSA-N -1 3 248.279 0.270 20 0 BCADHM C[C@H](NC(=O)c1c[n-]nn1)C(F)(F)F ZINC000288522178 386566652 /nfs/dbraw/zinc/56/66/52/386566652.db2.gz GEHGIOGXZMPQBG-VKHMYHEASA-N -1 3 208.143 0.485 20 0 BCADHM C[C@H](NC(=O)c1cnn[n-]1)C(F)(F)F ZINC000288522178 386566656 /nfs/dbraw/zinc/56/66/56/386566656.db2.gz GEHGIOGXZMPQBG-VKHMYHEASA-N -1 3 208.143 0.485 20 0 BCADHM C[C@H](NC(=O)c1cn[n-]n1)C(F)(F)F ZINC000288522178 386566660 /nfs/dbraw/zinc/56/66/60/386566660.db2.gz GEHGIOGXZMPQBG-VKHMYHEASA-N -1 3 208.143 0.485 20 0 BCADHM C[C@@H](NC(=O)c1c[n-]nn1)C(F)(F)F ZINC000288522177 386567435 /nfs/dbraw/zinc/56/74/35/386567435.db2.gz GEHGIOGXZMPQBG-GSVOUGTGSA-N -1 3 208.143 0.485 20 0 BCADHM C[C@@H](NC(=O)c1cnn[n-]1)C(F)(F)F ZINC000288522177 386567437 /nfs/dbraw/zinc/56/74/37/386567437.db2.gz GEHGIOGXZMPQBG-GSVOUGTGSA-N -1 3 208.143 0.485 20 0 BCADHM C[C@@H](NC(=O)c1cn[n-]n1)C(F)(F)F ZINC000288522177 386567441 /nfs/dbraw/zinc/56/74/41/386567441.db2.gz GEHGIOGXZMPQBG-GSVOUGTGSA-N -1 3 208.143 0.485 20 0 BCADHM C[C@H](O)C[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000525872987 386620984 /nfs/dbraw/zinc/62/09/84/386620984.db2.gz MJIGNDDTYVSTHU-YUMQZZPRSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@H](O)C[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000525872987 386620988 /nfs/dbraw/zinc/62/09/88/386620988.db2.gz MJIGNDDTYVSTHU-YUMQZZPRSA-N -1 3 248.286 0.847 20 0 BCADHM C[C@H](O)C[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000525872987 386620997 /nfs/dbraw/zinc/62/09/97/386620997.db2.gz MJIGNDDTYVSTHU-YUMQZZPRSA-N -1 3 248.286 0.847 20 0 BCADHM CC[C@H](C)C[C@H](CO)N=c1ncnc2[nH][n-]cc1-2 ZINC000645356111 386655698 /nfs/dbraw/zinc/65/56/98/386655698.db2.gz RNZIVCVXBHWBAE-DTWKUNHWSA-N -1 3 249.318 0.935 20 0 BCADHM CC(C)(O)CO[N-]C(=O)C1=COCCC1 ZINC000279134228 386636977 /nfs/dbraw/zinc/63/69/77/386636977.db2.gz FIGUARJJKHIIBY-UHFFFAOYSA-N -1 3 215.249 0.499 20 0 BCADHM CCOC[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000336782742 386650249 /nfs/dbraw/zinc/65/02/49/386650249.db2.gz YRCRZWDSWTVGMQ-SSDOTTSWSA-N -1 3 221.264 0.563 20 0 BCADHM CCCCCS(=O)(=O)[N-]Cc1noc(C)n1 ZINC000184576683 386612521 /nfs/dbraw/zinc/61/25/21/386612521.db2.gz HYPBWAKPOLORQO-UHFFFAOYSA-N -1 3 247.320 0.988 20 0 BCADHM O=C(c1csc(=O)[n-]1)N1CCOCC12CC2 ZINC000328710949 386612593 /nfs/dbraw/zinc/61/25/93/386612593.db2.gz REJZMSPYXZBOJF-UHFFFAOYSA-N -1 3 240.284 0.854 20 0 BCADHM CN(Cc1ncc[nH]1)c1nc2nncc-2c(O)[n-]1 ZINC000428123178 386664832 /nfs/dbraw/zinc/66/48/32/386664832.db2.gz FKGIYSNGPAEIAK-UHFFFAOYSA-N -1 3 245.246 0.418 20 0 BCADHM O=C(CC1CC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000328984185 386665444 /nfs/dbraw/zinc/66/54/44/386665444.db2.gz ZDPRVRQPSARDRF-QMMMGPOBSA-N -1 3 237.259 0.389 20 0 BCADHM Cn1cc(S(=O)(=O)[N-]CC2CC2)nc1Cl ZINC000268606999 386668082 /nfs/dbraw/zinc/66/80/82/386668082.db2.gz YVSVYZNPVOFRPT-UHFFFAOYSA-N -1 3 249.723 0.762 20 0 BCADHM CC[C@](C)(CO)C(=O)NCc1ncccc1[O-] ZINC000520426175 386671973 /nfs/dbraw/zinc/67/19/73/386671973.db2.gz AJFOCKJFXQNYPD-GFCCVEGCSA-N -1 3 238.287 0.812 20 0 BCADHM Cc1cc(C(=O)NC[C@H]2C[C@@H]2C)[n-]c(=O)n1 ZINC000268654876 386676245 /nfs/dbraw/zinc/67/62/45/386676245.db2.gz PKABQAWFBLUPEU-POYBYMJQSA-N -1 3 221.260 0.876 20 0 BCADHM Cn1nncc1C[S@@](=O)c1ccc([O-])cc1 ZINC000357073866 386710143 /nfs/dbraw/zinc/71/01/43/386710143.db2.gz YBEVZNAIJBJJDP-MRXNPFEDSA-N -1 3 237.284 0.829 20 0 BCADHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335469597 386688138 /nfs/dbraw/zinc/68/81/38/386688138.db2.gz IWEGMPCLPGOYJN-IUCAKERBSA-N -1 3 243.332 0.887 20 0 BCADHM O=C(c1ccccc1[O-])N1CC(=O)N(C2CC2)C1 ZINC000279566794 386702067 /nfs/dbraw/zinc/70/20/67/386702067.db2.gz LDJXUIPMPQIHMV-UHFFFAOYSA-N -1 3 246.266 0.797 20 0 BCADHM O=c1nc(CN2C[C@H](CO)c3ccccc32)[nH][n-]1 ZINC000292667865 386707901 /nfs/dbraw/zinc/70/79/01/386707901.db2.gz LJJQPGZKJINRQL-MRVPVSSYSA-N -1 3 246.270 0.194 20 0 BCADHM CC[C@](C)(O)CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000268887641 386713950 /nfs/dbraw/zinc/71/39/50/386713950.db2.gz SBFUSOZLMAZPFB-NSHDSACASA-N -1 3 239.275 0.381 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@@H]2CC=CCC2)n1 ZINC000335486838 386718071 /nfs/dbraw/zinc/71/80/71/386718071.db2.gz RBWMNLXNDDOTEG-SECBINFHSA-N -1 3 241.316 0.807 20 0 BCADHM CC(C)(C)OC(=O)CSc1n[n-]c(CO)n1 ZINC000527059518 386765924 /nfs/dbraw/zinc/76/59/24/386765924.db2.gz OHCJFOFLXXYVGI-UHFFFAOYSA-N -1 3 245.304 0.731 20 0 BCADHM CO[C@@H]1CCC[C@H]1CN=c1ncnc2[nH][n-]cc1-2 ZINC000340762790 386769193 /nfs/dbraw/zinc/76/91/93/386769193.db2.gz ZQLOWLPKVSBFSO-WCBMZHEXSA-N -1 3 247.302 0.953 20 0 BCADHM COc1ccnc(Sc2nnc(CO)[n-]2)n1 ZINC000527065392 386771607 /nfs/dbraw/zinc/77/16/07/386771607.db2.gz QLOXNNYVVQJMMB-UHFFFAOYSA-N -1 3 239.260 0.247 20 0 BCADHM COc1ccnc(Sc2nc(CO)n[n-]2)n1 ZINC000527065392 386771616 /nfs/dbraw/zinc/77/16/16/386771616.db2.gz QLOXNNYVVQJMMB-UHFFFAOYSA-N -1 3 239.260 0.247 20 0 BCADHM COc1ccnc(Sc2n[n-]c(CO)n2)n1 ZINC000527065392 386771620 /nfs/dbraw/zinc/77/16/20/386771620.db2.gz QLOXNNYVVQJMMB-UHFFFAOYSA-N -1 3 239.260 0.247 20 0 BCADHM CSCCO[N-]C(=O)Cc1c(C)n[nH]c1C ZINC000280114559 386780569 /nfs/dbraw/zinc/78/05/69/386780569.db2.gz VIHAXQFAOHXFNZ-UHFFFAOYSA-N -1 3 243.332 0.980 20 0 BCADHM CSCCON=C([O-])Nc1ccn(C)n1 ZINC000280531804 386820669 /nfs/dbraw/zinc/82/06/69/386820669.db2.gz LGVMIKFGLSJWJL-UHFFFAOYSA-N -1 3 230.293 0.836 20 0 BCADHM CSCCO[N-]C(=O)Nc1ccn(C)n1 ZINC000280531804 386820672 /nfs/dbraw/zinc/82/06/72/386820672.db2.gz LGVMIKFGLSJWJL-UHFFFAOYSA-N -1 3 230.293 0.836 20 0 BCADHM O=C(NCCn1ccnc1)c1ccc(O)cc1[O-] ZINC000192918651 386797571 /nfs/dbraw/zinc/79/75/71/386797571.db2.gz HKIRXAPKPQUTGK-UHFFFAOYSA-N -1 3 247.254 0.724 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CN(C)C)o1 ZINC000344911207 386801907 /nfs/dbraw/zinc/80/19/07/386801907.db2.gz NHOGNZUJPYCVNX-MRVPVSSYSA-N -1 3 246.332 0.816 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C(C)C)o1 ZINC000330637289 386828448 /nfs/dbraw/zinc/82/84/48/386828448.db2.gz ACQPHSJFKULAET-SECBINFHSA-N -1 3 247.316 0.883 20 0 BCADHM Cc1nnc([N-]C(=O)C(C)(F)F)n1C ZINC000293569072 386840391 /nfs/dbraw/zinc/84/03/91/386840391.db2.gz VMVVSIAEYJIQPW-UHFFFAOYSA-N -1 3 204.180 0.717 20 0 BCADHM CC1(C)COCN1C(=O)c1cc(=O)[n-]cn1 ZINC000585356575 386844709 /nfs/dbraw/zinc/84/47/09/386844709.db2.gz DMMQLZBNSNKWRJ-UHFFFAOYSA-N -1 3 223.232 0.391 20 0 BCADHM CC[C@H](O)CCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000398594147 386849150 /nfs/dbraw/zinc/84/91/50/386849150.db2.gz XTOIVTNDTFOBTA-QMMMGPOBSA-N -1 3 247.320 0.239 20 0 BCADHM COC(=O)[C@@H]([N-]S(=O)(=O)C1(C)CC1)C(C)C ZINC000331757135 386893333 /nfs/dbraw/zinc/89/33/33/386893333.db2.gz FCASAUJAXMZIRI-QMMMGPOBSA-N -1 3 249.332 0.656 20 0 BCADHM CC[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCO1 ZINC000336744419 386855187 /nfs/dbraw/zinc/85/51/87/386855187.db2.gz UXEZYPUGHMPKAZ-YUMQZZPRSA-N -1 3 226.280 0.558 20 0 BCADHM CCN(C[C@@H](C)O)C(=O)c1ccc2n[n-]nc2c1 ZINC000341341701 386885092 /nfs/dbraw/zinc/88/50/92/386885092.db2.gz PPJMGPDOIZNIRC-MRVPVSSYSA-N -1 3 248.286 0.801 20 0 BCADHM CN(CCC(N)=O)Cc1c(F)ccc([O-])c1F ZINC000293910831 386900151 /nfs/dbraw/zinc/90/01/51/386900151.db2.gz LTOSHXONYJEXHJ-UHFFFAOYSA-N -1 3 244.241 0.978 20 0 BCADHM O=C([N-]c1nncn1-c1cccnc1)C(F)F ZINC000367943673 386921437 /nfs/dbraw/zinc/92/14/37/386921437.db2.gz PKBRECPLWBBIAL-UHFFFAOYSA-N -1 3 239.185 0.866 20 0 BCADHM O=S(=O)(CC[C@H]1CCCO1)c1ncn[n-]1 ZINC000330982732 386940396 /nfs/dbraw/zinc/94/03/96/386940396.db2.gz VUJYVIPFJAXWOY-SSDOTTSWSA-N -1 3 231.277 0.148 20 0 BCADHM O=S(=O)(CC[C@H]1CCCO1)c1nnc[n-]1 ZINC000330982732 386940400 /nfs/dbraw/zinc/94/04/00/386940400.db2.gz VUJYVIPFJAXWOY-SSDOTTSWSA-N -1 3 231.277 0.148 20 0 BCADHM COC[C@@H](C)CC(=O)Nc1ccncc1[O-] ZINC000358362065 386940875 /nfs/dbraw/zinc/94/08/75/386940875.db2.gz WUTJGLNXIPMVEG-QMMMGPOBSA-N -1 3 224.260 0.820 20 0 BCADHM Cc1noc([C@H](C)[N-]S(=O)(=O)CC2CC2)n1 ZINC000330055021 386964270 /nfs/dbraw/zinc/96/42/70/386964270.db2.gz SYMQTZFYKYSDLW-LURJTMIESA-N -1 3 245.304 0.768 20 0 BCADHM Cc1nnc([N-]C(=O)c2ccnnc2)s1 ZINC000341785366 386967537 /nfs/dbraw/zinc/96/75/37/386967537.db2.gz JVSGMWMUDDINQD-UHFFFAOYSA-N -1 3 221.245 0.889 20 0 BCADHM O=C(Nc1ccc2c(c1)CC(=O)N2)c1nc[n-]n1 ZINC000358523380 386973206 /nfs/dbraw/zinc/97/32/06/386973206.db2.gz ASSBQQFNHIWUEN-UHFFFAOYSA-N -1 3 243.226 0.552 20 0 BCADHM Cc1cc(C(=O)N[C@H]2C[C@@](C)(O)C2)[n-]c(=O)n1 ZINC000332434047 386979856 /nfs/dbraw/zinc/97/98/56/386979856.db2.gz IGRMSWHSZABMCN-DGFRNANFSA-N -1 3 237.259 0.134 20 0 BCADHM COc1ncc(C)cc1NC(=O)c1cnn[n-]1 ZINC000174354463 533206838 /nfs/dbraw/zinc/20/68/38/533206838.db2.gz VCBOCYIXHSAAFA-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1ncc(C)cc1NC(=O)c1c[n-]nn1 ZINC000174354463 533206843 /nfs/dbraw/zinc/20/68/43/533206843.db2.gz VCBOCYIXHSAAFA-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1ncc(C)cc1NC(=O)c1cn[n-]n1 ZINC000174354463 533206845 /nfs/dbraw/zinc/20/68/45/533206845.db2.gz VCBOCYIXHSAAFA-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM Cc1c([C@@H](C)NC(=O)c2c[n-]nn2)cnn1C ZINC000108454086 387041504 /nfs/dbraw/zinc/04/15/04/387041504.db2.gz RSRGJQAIOUOKND-ZCFIWIBFSA-N -1 3 234.263 0.338 20 0 BCADHM Cc1c([C@@H](C)NC(=O)c2cnn[n-]2)cnn1C ZINC000108454086 387041508 /nfs/dbraw/zinc/04/15/08/387041508.db2.gz RSRGJQAIOUOKND-ZCFIWIBFSA-N -1 3 234.263 0.338 20 0 BCADHM Cc1c([C@@H](C)NC(=O)c2cn[n-]n2)cnn1C ZINC000108454086 387041511 /nfs/dbraw/zinc/04/15/11/387041511.db2.gz RSRGJQAIOUOKND-ZCFIWIBFSA-N -1 3 234.263 0.338 20 0 BCADHM CCCS(=O)(=O)[N-][C@H]1CNCCC1(F)F ZINC000334968056 387050244 /nfs/dbraw/zinc/05/02/44/387050244.db2.gz OPPUHXTURISAFK-ZETCQYMHSA-N -1 3 242.291 0.313 20 0 BCADHM C[C@@H](O)C[C@@H](C)CNC(=O)c1csc(=O)[n-]1 ZINC000334052819 387053609 /nfs/dbraw/zinc/05/36/09/387053609.db2.gz WWTCKBITMQVJBE-RNFRBKRXSA-N -1 3 244.316 0.986 20 0 BCADHM Cn1cnc(CNCc2cc([O-])cc(F)c2)n1 ZINC000185616615 387055552 /nfs/dbraw/zinc/05/55/52/387055552.db2.gz RALRBEJXYJDVMD-UHFFFAOYSA-N -1 3 236.250 0.950 20 0 BCADHM CN(Cc1ccco1)c1nc2nncc-2c(O)[n-]1 ZINC000106462472 387025540 /nfs/dbraw/zinc/02/55/40/387025540.db2.gz DFERVAWCDCYHOH-UHFFFAOYSA-N -1 3 245.242 0.876 20 0 BCADHM CCCC[C@@H]([N-]S(=O)(=O)CC)C(=O)OC ZINC000186125891 387071818 /nfs/dbraw/zinc/07/18/18/387071818.db2.gz KJZVVMCATSUBLO-MRVPVSSYSA-N -1 3 237.321 0.658 20 0 BCADHM O=C(NC[C@H]1CCCC(=O)N1)c1cccc([O-])c1 ZINC000336252555 387084106 /nfs/dbraw/zinc/08/41/06/387084106.db2.gz SFOKQCIGTKCIIC-SNVBAGLBSA-N -1 3 248.282 0.791 20 0 BCADHM Cc1ccc(C(=O)N[C@H]2CCC(=O)NC2)c([O-])c1 ZINC000070162160 387117858 /nfs/dbraw/zinc/11/78/58/387117858.db2.gz QWLWOXAKLWMUBH-VIFPVBQESA-N -1 3 248.282 0.709 20 0 BCADHM CCOC(=O)Cn1[n-]c(=O)c2ccccc2c1=O ZINC000016222426 387148372 /nfs/dbraw/zinc/14/83/72/387148372.db2.gz GGKVDRBHPYTJMG-UHFFFAOYSA-N -1 3 248.238 0.253 20 0 BCADHM Cn1[n-]c(CN[C@@H]2CCC2(C)C)nc1=O ZINC000572056450 387225914 /nfs/dbraw/zinc/22/59/14/387225914.db2.gz SSGMDEOXQINZAC-SSDOTTSWSA-N -1 3 210.281 0.387 20 0 BCADHM Cn1ncnc1[N-]C(=O)C(=O)c1ccccc1 ZINC000194934176 387243820 /nfs/dbraw/zinc/24/38/20/387243820.db2.gz SWNMJIACHDZSNA-UHFFFAOYSA-N -1 3 230.227 0.637 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1cccs1)C(N)=O ZINC000360276212 387254296 /nfs/dbraw/zinc/25/42/96/387254296.db2.gz HUPUOJLIPRRYJO-LURJTMIESA-N -1 3 248.329 0.290 20 0 BCADHM Cc1cccc(C(=O)N2CN(C)C(=O)[C@H]2C)c1[O-] ZINC000648640813 387268801 /nfs/dbraw/zinc/26/88/01/387268801.db2.gz UVPQMPFGMVUYKB-SECBINFHSA-N -1 3 248.282 0.961 20 0 BCADHM CCCCN1CCCC[C@@H]1CNC(=O)C(=O)[O-] ZINC000360409127 387280536 /nfs/dbraw/zinc/28/05/36/387280536.db2.gz VBERURQUEWHJJF-SNVBAGLBSA-N -1 3 242.319 0.842 20 0 BCADHM COC[C@@H](C)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000354312989 387359580 /nfs/dbraw/zinc/35/95/80/387359580.db2.gz VWZDNHYEKGMLID-SSDOTTSWSA-N -1 3 248.279 0.534 20 0 BCADHM O=S(=O)([N-]C[C@@H](CO)C1CC1)c1ccco1 ZINC000352600907 387362171 /nfs/dbraw/zinc/36/21/71/387362171.db2.gz XDNVDBRIUYWBTG-VIFPVBQESA-N -1 3 245.300 0.576 20 0 BCADHM CCC[C@H](NC(=O)c1ccccc1[O-])C(N)=O ZINC000286195687 387319762 /nfs/dbraw/zinc/31/97/62/387319762.db2.gz BIRYCUFVWBMVEL-VIFPVBQESA-N -1 3 236.271 0.776 20 0 BCADHM O=C1[N-]C(=O)N2CCN(C3CCCC3)C[C@H]12 ZINC000336528110 387352476 /nfs/dbraw/zinc/35/24/76/387352476.db2.gz WFPJMEOKUWMECT-SECBINFHSA-N -1 3 223.276 0.165 20 0 BCADHM C[C@H](CC(=O)Nc1ccncc1[O-])n1cccn1 ZINC000424762526 387352705 /nfs/dbraw/zinc/35/27/05/387352705.db2.gz ZEHAIAPWTYSZLV-SECBINFHSA-N -1 3 246.270 0.995 20 0 BCADHM Cc1ccc([O-])c(CN(C)Cc2nnnn2C)n1 ZINC000354990179 387459099 /nfs/dbraw/zinc/45/90/99/387459099.db2.gz BDGXUGBGXJPCHS-UHFFFAOYSA-N -1 3 248.290 0.251 20 0 BCADHM CSCCO[N-]C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000373628579 387385629 /nfs/dbraw/zinc/38/56/29/387385629.db2.gz BIRCRWBRBIBTOD-WCBMZHEXSA-N -1 3 231.317 0.824 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C2(CO)CCC2)o1 ZINC000336570157 387393553 /nfs/dbraw/zinc/39/35/53/387393553.db2.gz DZOAZAZSAAWIFA-UHFFFAOYSA-N -1 3 245.300 0.781 20 0 BCADHM C[C@]1(F)CCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354561707 387395911 /nfs/dbraw/zinc/39/59/11/387395911.db2.gz GAPLUOYGPCKOKH-JTQLQIEISA-N -1 3 236.254 0.655 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]C2(CCO)CC2)o1 ZINC000431569632 387405111 /nfs/dbraw/zinc/40/51/11/387405111.db2.gz GOIFECQAMWNVCY-UHFFFAOYSA-N -1 3 245.300 0.781 20 0 BCADHM CC(C)(C)[C@H](N)C(=O)NCc1ncccc1[O-] ZINC000423752961 387411535 /nfs/dbraw/zinc/41/15/35/387411535.db2.gz CXEGRGIIQUENNZ-SNVBAGLBSA-N -1 3 237.303 0.777 20 0 BCADHM Cc1ccc([O-])c(CN2CN(C)C(=O)[C@H]2C)n1 ZINC000648075854 387497344 /nfs/dbraw/zinc/49/73/44/387497344.db2.gz SBNJJZKAGKSWPW-SECBINFHSA-N -1 3 235.287 0.716 20 0 BCADHM NC(=O)[C@@H]1CCCCN1Cc1ncccc1[O-] ZINC000516347479 387500137 /nfs/dbraw/zinc/50/01/37/387500137.db2.gz YHUIYIVTLRMQHW-JTQLQIEISA-N -1 3 235.287 0.627 20 0 BCADHM CO[C@@H]1CCCC[C@@H]1NCc1nc(=O)n(C)[n-]1 ZINC000361763290 387530596 /nfs/dbraw/zinc/53/05/96/387530596.db2.gz DNYMKUBHEFDNSQ-DTWKUNHWSA-N -1 3 240.307 0.156 20 0 BCADHM CC(C)[C@H](O)C(=O)NCc1ncccc1[O-] ZINC000355434217 387538626 /nfs/dbraw/zinc/53/86/26/387538626.db2.gz BENXCJIOHNCXIR-JTQLQIEISA-N -1 3 224.260 0.420 20 0 BCADHM O=C(c1ccccc1[O-])N1CC(n2ccnn2)C1 ZINC000375839584 387585447 /nfs/dbraw/zinc/58/54/47/387585447.db2.gz IZECHVGDAHSAOQ-UHFFFAOYSA-N -1 3 244.254 0.681 20 0 BCADHM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccccn1 ZINC000305654686 387623792 /nfs/dbraw/zinc/62/37/92/387623792.db2.gz FBLPDPQBVZSYEP-BDAKNGLRSA-N -1 3 244.316 0.377 20 0 BCADHM Cc1nc([N-]C(=O)[C@@H](C)O)n(-c2ccccc2)n1 ZINC000612090380 387546672 /nfs/dbraw/zinc/54/66/72/387546672.db2.gz XNTBWIUVXTYPQP-MRVPVSSYSA-N -1 3 246.270 0.317 20 0 BCADHM COCC[C@H](C)S(=O)(=O)[N-]CC(F)F ZINC000361978401 387551834 /nfs/dbraw/zinc/55/18/34/387551834.db2.gz JCCPRWJOEXWWPG-LURJTMIESA-N -1 3 231.264 0.596 20 0 BCADHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CC(=O)[O-] ZINC000355727543 387573472 /nfs/dbraw/zinc/57/34/72/387573472.db2.gz BSUKTALPAOWBST-MNOVXSKESA-N -1 3 242.319 0.792 20 0 BCADHM CCc1cnc(S(=O)(=O)Cc2ccon2)[n-]1 ZINC000125616084 387661836 /nfs/dbraw/zinc/66/18/36/387661836.db2.gz OYYXYRKXTMUJQH-UHFFFAOYSA-N -1 3 241.272 0.934 20 0 BCADHM CCc1c[n-]c(S(=O)(=O)Cc2ccon2)n1 ZINC000125616084 387661842 /nfs/dbraw/zinc/66/18/42/387661842.db2.gz OYYXYRKXTMUJQH-UHFFFAOYSA-N -1 3 241.272 0.934 20 0 BCADHM CCc1cnc(S(=O)(=O)C[C@@H]2CCCO2)[n-]1 ZINC000125646082 387664499 /nfs/dbraw/zinc/66/44/99/387664499.db2.gz DMAQHFRXDLMBKR-VIFPVBQESA-N -1 3 244.316 0.925 20 0 BCADHM CCc1c[n-]c(S(=O)(=O)C[C@@H]2CCCO2)n1 ZINC000125646082 387664503 /nfs/dbraw/zinc/66/45/03/387664503.db2.gz DMAQHFRXDLMBKR-VIFPVBQESA-N -1 3 244.316 0.925 20 0 BCADHM CCn1nncc1CNCc1nc(C)ccc1[O-] ZINC000527725754 387678120 /nfs/dbraw/zinc/67/81/20/387678120.db2.gz GVPRZFHKQABXCC-UHFFFAOYSA-N -1 3 247.302 0.997 20 0 BCADHM CO[C@@H](C)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000377171365 387696412 /nfs/dbraw/zinc/69/64/12/387696412.db2.gz GFSWAIUQGCVENW-QMMMGPOBSA-N -1 3 247.258 0.636 20 0 BCADHM CS(=O)(=O)[N-]c1cnccc1-n1ccnn1 ZINC000377540443 387722287 /nfs/dbraw/zinc/72/22/87/387722287.db2.gz JEPZGSPUFMUAHP-UHFFFAOYSA-N -1 3 239.260 0.034 20 0 BCADHM COC(=O)c1ccc(C(=O)Nc2ccncc2)[n-]1 ZINC000431674225 387727088 /nfs/dbraw/zinc/72/70/88/387727088.db2.gz RQKGIEOGVBRMJT-UHFFFAOYSA-N -1 3 245.238 0.871 20 0 BCADHM CCC(=O)C[N-]S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000442743754 387833386 /nfs/dbraw/zinc/83/33/86/387833386.db2.gz CLWBZFRNPZBBKE-APPZFPTMSA-N -1 3 235.305 0.062 20 0 BCADHM CC/C=C\CNC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000452610464 387873405 /nfs/dbraw/zinc/87/34/05/387873405.db2.gz FWRJZWLGBVCZNV-PLNGDYQASA-N -1 3 237.259 0.182 20 0 BCADHM Oc1[n-]c(NCC23CC(C2)CO3)nc2nncc1-2 ZINC000528184180 387873434 /nfs/dbraw/zinc/87/34/34/387873434.db2.gz FFTAQRVCFVAEQN-UHFFFAOYSA-N -1 3 247.258 0.023 20 0 BCADHM CC[C@@H](O)C[N-]S(=O)(=O)c1cscn1 ZINC000645764303 387889150 /nfs/dbraw/zinc/88/91/50/387889150.db2.gz UITJHDDDPNQGKT-ZCFIWIBFSA-N -1 3 236.318 0.192 20 0 BCADHM CC(C)N(C)CC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424228865 387940086 /nfs/dbraw/zinc/94/00/86/387940086.db2.gz IZNSCFBTVBJSLN-UHFFFAOYSA-N -1 3 244.335 0.944 20 0 BCADHM C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1ccco1 ZINC000445718971 387959661 /nfs/dbraw/zinc/95/96/61/387959661.db2.gz XZJNRJSJXQYXDB-SFYZADRCSA-N -1 3 233.289 0.717 20 0 BCADHM COC[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000445745765 387964613 /nfs/dbraw/zinc/96/46/13/387964613.db2.gz YNUXXHVBYWVWLR-SSDOTTSWSA-N -1 3 219.262 0.593 20 0 BCADHM COc1cccc(C(=O)Nc2nncn2C)c1[O-] ZINC000156408751 387975070 /nfs/dbraw/zinc/97/50/70/387975070.db2.gz POUDZIZRJMQTDI-UHFFFAOYSA-N -1 3 248.242 0.782 20 0 BCADHM CCN(CC)S(=O)(=O)[N-]c1cc(C)n(C)n1 ZINC000439056538 387978163 /nfs/dbraw/zinc/97/81/63/387978163.db2.gz LOESZYAGOAXWEM-UHFFFAOYSA-N -1 3 246.336 0.727 20 0 BCADHM Cc1ccc([O-])c(C(=O)NCCc2nnc[nH]2)c1 ZINC000080577616 387999419 /nfs/dbraw/zinc/99/94/19/387999419.db2.gz OGYDCIOHMKSLLE-UHFFFAOYSA-N -1 3 246.270 0.791 20 0 BCADHM Cc1cc(C(=O)NC[C@@H]2[C@H]3COC[C@H]32)[n-]c(=O)n1 ZINC000367800219 177793019 /nfs/dbraw/zinc/79/30/19/177793019.db2.gz DNNQIKUKFOHRCO-PSVAKVPMSA-N -1 3 249.270 0.113 20 0 BCADHM Cc1ocnc1CNC(=O)c1c[n-]nn1 ZINC000345108566 388076806 /nfs/dbraw/zinc/07/68/06/388076806.db2.gz WBNOWQWLIYISGK-UHFFFAOYSA-N -1 3 207.193 0.031 20 0 BCADHM Cc1ocnc1CNC(=O)c1cnn[n-]1 ZINC000345108566 388076810 /nfs/dbraw/zinc/07/68/10/388076810.db2.gz WBNOWQWLIYISGK-UHFFFAOYSA-N -1 3 207.193 0.031 20 0 BCADHM Cc1ocnc1CNC(=O)c1cn[n-]n1 ZINC000345108566 388076813 /nfs/dbraw/zinc/07/68/13/388076813.db2.gz WBNOWQWLIYISGK-UHFFFAOYSA-N -1 3 207.193 0.031 20 0 BCADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCC(=O)N2)n1 ZINC000447634532 388084823 /nfs/dbraw/zinc/08/48/23/388084823.db2.gz REUAJVONKKNBSU-ZETCQYMHSA-N -1 3 235.243 0.313 20 0 BCADHM O=S(=O)([N-]C1CNC1)c1cc(F)ccc1F ZINC000085256340 388085933 /nfs/dbraw/zinc/08/59/33/388085933.db2.gz NPUNCHKSOIIGJD-UHFFFAOYSA-N -1 3 248.254 0.215 20 0 BCADHM O=C1Cc2cc(-c3nnn[n-]3)ccc2N1 ZINC000071508137 388096114 /nfs/dbraw/zinc/09/61/14/388096114.db2.gz ICNXFDLTUKXYBC-UHFFFAOYSA-N -1 3 201.189 0.361 20 0 BCADHM O=C1Cc2cc(-c3nn[n-]n3)ccc2N1 ZINC000071508137 388096116 /nfs/dbraw/zinc/09/61/16/388096116.db2.gz ICNXFDLTUKXYBC-UHFFFAOYSA-N -1 3 201.189 0.361 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)[C@@H]1CC=CCC1 ZINC000646265467 388173219 /nfs/dbraw/zinc/17/32/19/388173219.db2.gz UIFURTRPKZGEES-SSDOTTSWSA-N -1 3 232.247 0.747 20 0 BCADHM Cc1cc(NC(=O)c2c[n-]nn2)cn(C)c1=O ZINC000489239138 388206756 /nfs/dbraw/zinc/20/67/56/388206756.db2.gz ZYEWWRPLUVRVDV-UHFFFAOYSA-N -1 3 233.231 0.064 20 0 BCADHM Cc1cc(NC(=O)c2cnn[n-]2)cn(C)c1=O ZINC000489239138 388206758 /nfs/dbraw/zinc/20/67/58/388206758.db2.gz ZYEWWRPLUVRVDV-UHFFFAOYSA-N -1 3 233.231 0.064 20 0 BCADHM Cc1cc(NC(=O)c2cn[n-]n2)cn(C)c1=O ZINC000489239138 388206759 /nfs/dbraw/zinc/20/67/59/388206759.db2.gz ZYEWWRPLUVRVDV-UHFFFAOYSA-N -1 3 233.231 0.064 20 0 BCADHM C[C@@H](C[S@@](C)=O)NC(=O)c1ccccc1[O-] ZINC000164339466 388232104 /nfs/dbraw/zinc/23/21/04/388232104.db2.gz GUBWCTOANVQADG-PWJLMRLQSA-N -1 3 241.312 0.889 20 0 BCADHM C[C@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1O ZINC000459376173 388242678 /nfs/dbraw/zinc/24/26/78/388242678.db2.gz RBOLTDNCNWJGFZ-GZMMTYOYSA-N -1 3 249.314 0.872 20 0 BCADHM CC[C@@H]1CN(CC)CCN1Cc1n[nH]c(=O)[n-]1 ZINC000451745876 388293629 /nfs/dbraw/zinc/29/36/29/388293629.db2.gz YHDBQMVTSHPPTG-SECBINFHSA-N -1 3 239.323 0.426 20 0 BCADHM CC[C@H]([N-]S(=O)(=O)c1ccco1)[C@H](C)O ZINC000451884774 388302964 /nfs/dbraw/zinc/30/29/64/388302964.db2.gz DKZGRXOEJRGIMH-YUMQZZPRSA-N -1 3 233.289 0.717 20 0 BCADHM C[C@@H](O)CN(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000451886912 388303056 /nfs/dbraw/zinc/30/30/56/388303056.db2.gz DWTQIXKHXWTVGL-MRVPVSSYSA-N -1 3 241.262 0.913 20 0 BCADHM COc1cncc(/C=C\C(=O)[N-]OCCO)c1 ZINC000492027873 388332162 /nfs/dbraw/zinc/33/21/62/388332162.db2.gz CIVKIDYCCAOTKZ-IHWYPQMZSA-N -1 3 238.243 0.144 20 0 BCADHM C[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1cncc([O-])c1 ZINC000492050622 388332859 /nfs/dbraw/zinc/33/28/59/388332859.db2.gz VFJJLFJMGJCGFF-LUCSPQJISA-N -1 3 248.282 0.782 20 0 BCADHM Cc1cccnc1/C=C\C(=O)[N-]OCCO ZINC000491974952 388330188 /nfs/dbraw/zinc/33/01/88/388330188.db2.gz WTMTWLHQTGDCAP-PLNGDYQASA-N -1 3 222.244 0.443 20 0 BCADHM O=C(/C=C/c1ccc(Cl)nc1)[N-]OCCO ZINC000491990478 388330851 /nfs/dbraw/zinc/33/08/51/388330851.db2.gz KMKWWGNXAKAOCO-DUXPYHPUSA-N -1 3 242.662 0.788 20 0 BCADHM COc1ccc(/C=C/C(=O)[N-]OCCO)nc1 ZINC000491993968 388330895 /nfs/dbraw/zinc/33/08/95/388330895.db2.gz UVRXWESLUOMEAR-HWKANZROSA-N -1 3 238.243 0.144 20 0 BCADHM O=C(/C=C/c1cccc(O)c1)[N-]OCCO ZINC000492002050 388331276 /nfs/dbraw/zinc/33/12/76/388331276.db2.gz HFUNGJCMDAQUJF-SNAWJCMRSA-N -1 3 223.228 0.446 20 0 BCADHM O=C(/C=C/c1cscn1)[N-]O[C@H]1CCOC1 ZINC000492430343 388344161 /nfs/dbraw/zinc/34/41/61/388344161.db2.gz XUPARGLWTWHONU-VWCDRPFISA-N -1 3 240.284 0.993 20 0 BCADHM C[C@@]1(CO)CCC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000162222518 388348813 /nfs/dbraw/zinc/34/88/13/388348813.db2.gz XWVWBFHTLVFZSB-WPRPVWTQSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@@]1(CO)CCC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000162222518 388348814 /nfs/dbraw/zinc/34/88/14/388348814.db2.gz XWVWBFHTLVFZSB-WPRPVWTQSA-N -1 3 224.264 0.086 20 0 BCADHM C[C@@]1(CO)CCC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000162222518 388348816 /nfs/dbraw/zinc/34/88/16/388348816.db2.gz XWVWBFHTLVFZSB-WPRPVWTQSA-N -1 3 224.264 0.086 20 0 BCADHM CN(CCCCO)C(=O)c1ccc(O)cc1[O-] ZINC000276527435 388349811 /nfs/dbraw/zinc/34/98/11/388349811.db2.gz YHBJTGDYFYCIME-UHFFFAOYSA-N -1 3 239.271 0.942 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccnc1 ZINC000524396849 388357594 /nfs/dbraw/zinc/35/75/94/388357594.db2.gz GWXNCINVXSVXDT-SNVBAGLBSA-N -1 3 246.270 0.323 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc[nH]1 ZINC000524410336 388359023 /nfs/dbraw/zinc/35/90/23/388359023.db2.gz FWLRTRAICQJRAI-MRVPVSSYSA-N -1 3 234.259 0.257 20 0 BCADHM CC(C)[C@@H](N)C(=O)NCc1ncccc1[O-] ZINC000646452201 388360738 /nfs/dbraw/zinc/36/07/38/388360738.db2.gz YRYWYRLDRVAOFJ-SNVBAGLBSA-N -1 3 223.276 0.387 20 0 BCADHM Cc1ccc([O-])c(CN2CCS(=O)CC2)n1 ZINC000132683106 388367283 /nfs/dbraw/zinc/36/72/83/388367283.db2.gz MELIPKSOQNVHSB-UHFFFAOYSA-N -1 3 240.328 0.660 20 0 BCADHM CO[C@@](C)(CNC(=O)c1c[n-]nn1)C1CC1 ZINC000291192964 388373496 /nfs/dbraw/zinc/37/34/96/388373496.db2.gz JPHKYAGLZFZYIM-JTQLQIEISA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@@](C)(CNC(=O)c1cnn[n-]1)C1CC1 ZINC000291192964 388373501 /nfs/dbraw/zinc/37/35/01/388373501.db2.gz JPHKYAGLZFZYIM-JTQLQIEISA-N -1 3 224.264 0.350 20 0 BCADHM CO[C@@](C)(CNC(=O)c1cn[n-]n1)C1CC1 ZINC000291192964 388373504 /nfs/dbraw/zinc/37/35/04/388373504.db2.gz JPHKYAGLZFZYIM-JTQLQIEISA-N -1 3 224.264 0.350 20 0 BCADHM CCC(C)(C)OCCNC(=O)c1c[n-]nn1 ZINC000308565135 388443253 /nfs/dbraw/zinc/44/32/53/388443253.db2.gz JHQROEPRQBQMPF-UHFFFAOYSA-N -1 3 226.280 0.740 20 0 BCADHM CCC(C)(C)OCCNC(=O)c1cnn[n-]1 ZINC000308565135 388443255 /nfs/dbraw/zinc/44/32/55/388443255.db2.gz JHQROEPRQBQMPF-UHFFFAOYSA-N -1 3 226.280 0.740 20 0 BCADHM CCC(C)(C)OCCNC(=O)c1cn[n-]n1 ZINC000308565135 388443258 /nfs/dbraw/zinc/44/32/58/388443258.db2.gz JHQROEPRQBQMPF-UHFFFAOYSA-N -1 3 226.280 0.740 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCO[C@H]2C[C@H]21 ZINC000646734448 388443563 /nfs/dbraw/zinc/44/35/63/388443563.db2.gz HEFAGMOTAUPBDS-ZJUUUORDSA-N -1 3 244.254 0.571 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCO[C@H]2C[C@H]21 ZINC000646734448 388443565 /nfs/dbraw/zinc/44/35/65/388443565.db2.gz HEFAGMOTAUPBDS-ZJUUUORDSA-N -1 3 244.254 0.571 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCO[C@H]2C[C@H]21 ZINC000646734448 388443566 /nfs/dbraw/zinc/44/35/66/388443566.db2.gz HEFAGMOTAUPBDS-ZJUUUORDSA-N -1 3 244.254 0.571 20 0 BCADHM CCn1cnnc1[N-]C(=O)c1coc(OC)n1 ZINC000626979064 388458688 /nfs/dbraw/zinc/45/86/88/388458688.db2.gz OYAIZZIYNXELTK-UHFFFAOYSA-N -1 3 237.219 0.547 20 0 BCADHM O=C(N[C@@H]1COc2ccccc2C1)c1c[n-]nn1 ZINC000194182102 388481169 /nfs/dbraw/zinc/48/11/69/388481169.db2.gz BPLMEQYRTVCFFE-VIFPVBQESA-N -1 3 244.254 0.538 20 0 BCADHM O=C(N[C@@H]1COc2ccccc2C1)c1cnn[n-]1 ZINC000194182102 388481172 /nfs/dbraw/zinc/48/11/72/388481172.db2.gz BPLMEQYRTVCFFE-VIFPVBQESA-N -1 3 244.254 0.538 20 0 BCADHM O=C(N[C@@H]1COc2ccccc2C1)c1cn[n-]n1 ZINC000194182102 388481174 /nfs/dbraw/zinc/48/11/74/388481174.db2.gz BPLMEQYRTVCFFE-VIFPVBQESA-N -1 3 244.254 0.538 20 0 BCADHM Cc1c(C(C)C)[nH][nH]c1=NC(=O)c1cnn[n-]1 ZINC000649232606 388464326 /nfs/dbraw/zinc/46/43/26/388464326.db2.gz IJZUZBFULOETSW-UHFFFAOYSA-N -1 3 234.263 0.634 20 0 BCADHM Cc1c(C(C)C)[nH][nH]c1=NC(=O)c1c[n-]nn1 ZINC000649232606 388464328 /nfs/dbraw/zinc/46/43/28/388464328.db2.gz IJZUZBFULOETSW-UHFFFAOYSA-N -1 3 234.263 0.634 20 0 BCADHM O=C(Nc1ccc2c(c1)OCO2)c1cnn[n-]1 ZINC000108285032 388465075 /nfs/dbraw/zinc/46/50/75/388465075.db2.gz VICQXNAPVVMRAE-UHFFFAOYSA-N -1 3 232.199 0.786 20 0 BCADHM O=C(Nc1ccc2c(c1)OCO2)c1c[n-]nn1 ZINC000108285032 388465076 /nfs/dbraw/zinc/46/50/76/388465076.db2.gz VICQXNAPVVMRAE-UHFFFAOYSA-N -1 3 232.199 0.786 20 0 BCADHM O=C(Nc1ccc2c(c1)OCO2)c1cn[n-]n1 ZINC000108285032 388465077 /nfs/dbraw/zinc/46/50/77/388465077.db2.gz VICQXNAPVVMRAE-UHFFFAOYSA-N -1 3 232.199 0.786 20 0 BCADHM COC1(C(=O)Nc2ncccc2[O-])CC1 ZINC000648858655 388472819 /nfs/dbraw/zinc/47/28/19/388472819.db2.gz IGXLRASPMVOIOY-UHFFFAOYSA-N -1 3 208.217 0.905 20 0 BCADHM CS(=O)(=O)[N-][C@H]1Cc2ccccc2NC1=O ZINC000528542999 388545050 /nfs/dbraw/zinc/54/50/50/388545050.db2.gz SHRVSAAJDXRHHP-VIFPVBQESA-N -1 3 240.284 0.099 20 0 BCADHM Cc1ncc(S(=O)(=O)[N-]CC2COC2)s1 ZINC000528563017 388546993 /nfs/dbraw/zinc/54/69/93/388546993.db2.gz GFAKFHRJQPJTLN-UHFFFAOYSA-N -1 3 248.329 0.376 20 0 BCADHM CN(C)C1(CNC(=O)c2cncc([O-])c2)CC1 ZINC000397873965 388507918 /nfs/dbraw/zinc/50/79/18/388507918.db2.gz UVCQAVZPARONOY-UHFFFAOYSA-N -1 3 235.287 0.611 20 0 BCADHM C[C@@H]1CCC[C@H](C)N1CCN=c1nn[n-]n1C ZINC000517393054 388550152 /nfs/dbraw/zinc/55/01/52/388550152.db2.gz HHFFVCLJADWMMH-AOOOYVTPSA-N -1 3 238.339 0.307 20 0 BCADHM COC(=O)c1nc[n-]c1NC(=O)c1ccccn1 ZINC000550085627 388598279 /nfs/dbraw/zinc/59/82/79/388598279.db2.gz OYEZBFURJWAMFK-UHFFFAOYSA-N -1 3 246.226 0.844 20 0 BCADHM COC(=O)c1[n-]cnc1NC(=O)c1ccccn1 ZINC000550085627 388598280 /nfs/dbraw/zinc/59/82/80/388598280.db2.gz OYEZBFURJWAMFK-UHFFFAOYSA-N -1 3 246.226 0.844 20 0 BCADHM CC(C)O[C@@]1(C)C[C@H]1NC(=O)c1c[n-]nn1 ZINC000529969182 388599779 /nfs/dbraw/zinc/59/97/79/388599779.db2.gz TVZGZRPLLISXAT-SCZZXKLOSA-N -1 3 224.264 0.491 20 0 BCADHM CC(C)O[C@@]1(C)C[C@H]1NC(=O)c1cnn[n-]1 ZINC000529969182 388599782 /nfs/dbraw/zinc/59/97/82/388599782.db2.gz TVZGZRPLLISXAT-SCZZXKLOSA-N -1 3 224.264 0.491 20 0 BCADHM CC(C)O[C@@]1(C)C[C@H]1NC(=O)c1cn[n-]n1 ZINC000529969182 388599784 /nfs/dbraw/zinc/59/97/84/388599784.db2.gz TVZGZRPLLISXAT-SCZZXKLOSA-N -1 3 224.264 0.491 20 0 BCADHM O=C(c1c([O-])cccc1O)N1CC[C@@H](CO)C1 ZINC000220258579 388602323 /nfs/dbraw/zinc/60/23/23/388602323.db2.gz AOJAUZFKLFNQDO-MRVPVSSYSA-N -1 3 237.255 0.552 20 0 BCADHM O=C(NCCCc1nnc[nH]1)c1cncc([O-])c1 ZINC000080571966 388559183 /nfs/dbraw/zinc/55/91/83/388559183.db2.gz UJFJZUCMBUSULE-UHFFFAOYSA-N -1 3 247.258 0.268 20 0 BCADHM O=C(NCCCc1nc[nH]n1)c1cncc([O-])c1 ZINC000080571966 388559187 /nfs/dbraw/zinc/55/91/87/388559187.db2.gz UJFJZUCMBUSULE-UHFFFAOYSA-N -1 3 247.258 0.268 20 0 BCADHM COCCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530166637 388618943 /nfs/dbraw/zinc/61/89/43/388618943.db2.gz PDSGNSJOTDBCQX-JTQLQIEISA-N -1 3 225.244 0.910 20 0 BCADHM CC[C@@H](F)CN1CC[C@@](OC)(C(=O)[O-])C1 ZINC000530168968 388619535 /nfs/dbraw/zinc/61/95/35/388619535.db2.gz GLNFORNSKNDWRX-SCZZXKLOSA-N -1 3 219.256 0.910 20 0 BCADHM COC(C)(C)CCN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530169193 388619642 /nfs/dbraw/zinc/61/96/42/388619642.db2.gz HPUZMGXJPJSNNU-ZJUUUORDSA-N -1 3 245.319 0.975 20 0 BCADHM OCc1nc(Sc2ncnc3c2CCC3)n[n-]1 ZINC000530373236 388653264 /nfs/dbraw/zinc/65/32/64/388653264.db2.gz CZZHQEIHUVOIEA-UHFFFAOYSA-N -1 3 249.299 0.727 20 0 BCADHM CO[C@H](C)C[N-]S(=O)(=O)Cc1cc(C)on1 ZINC000224115776 388661019 /nfs/dbraw/zinc/66/10/19/388661019.db2.gz KKXOSTMRHYIGMG-MRVPVSSYSA-N -1 3 248.304 0.437 20 0 BCADHM CC[C@H](OC)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000522262972 388739552 /nfs/dbraw/zinc/73/95/52/388739552.db2.gz KYMTWPOYTFPEAF-IUCAKERBSA-N -1 3 241.291 0.040 20 0 BCADHM COCCCCNC(=O)Cc1cncc([O-])c1 ZINC000552997992 388744660 /nfs/dbraw/zinc/74/46/60/388744660.db2.gz MINMULCTXKMPGH-UHFFFAOYSA-N -1 3 238.287 0.873 20 0 BCADHM CC[C@@H](COC)NC(=O)Cc1cncc([O-])c1 ZINC000553143492 388748922 /nfs/dbraw/zinc/74/89/22/388748922.db2.gz MUGIKVJDUYEXEV-JTQLQIEISA-N -1 3 238.287 0.871 20 0 BCADHM O=C(Cc1cncc([O-])c1)NC[C@@H](O)C1CC1 ZINC000553199014 388753020 /nfs/dbraw/zinc/75/30/20/388753020.db2.gz LGNYPLQLPKEVIB-LLVKDONJSA-N -1 3 236.271 0.217 20 0 BCADHM O=C(CNC(=O)c1ccc([O-])cc1)NC1CCC1 ZINC000522110051 388691953 /nfs/dbraw/zinc/69/19/53/388691953.db2.gz PXTBLLURRGLXTA-UHFFFAOYSA-N -1 3 248.282 0.791 20 0 BCADHM CCc1cnc(S(=O)(=O)C[C@H](C)O)[n-]1 ZINC000193172782 388695097 /nfs/dbraw/zinc/69/50/97/388695097.db2.gz WGTMJVULWVSBLL-LURJTMIESA-N -1 3 218.278 0.127 20 0 BCADHM CCc1c[n-]c(S(=O)(=O)C[C@H](C)O)n1 ZINC000193172782 388695099 /nfs/dbraw/zinc/69/50/99/388695099.db2.gz WGTMJVULWVSBLL-LURJTMIESA-N -1 3 218.278 0.127 20 0 BCADHM COc1nnc(NC(=O)c2ccccn2)[n-]1 ZINC000126770716 388701943 /nfs/dbraw/zinc/70/19/43/388701943.db2.gz ZBODBASLQATQKE-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1nc(NC(=O)c2ccccn2)n[n-]1 ZINC000126770716 388701947 /nfs/dbraw/zinc/70/19/47/388701947.db2.gz ZBODBASLQATQKE-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccccn2)n1 ZINC000126770716 388701950 /nfs/dbraw/zinc/70/19/50/388701950.db2.gz ZBODBASLQATQKE-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM CN(CC[S@@](=O)c1ccccc1)CC(=O)[O-] ZINC000564218890 388761246 /nfs/dbraw/zinc/76/12/46/388761246.db2.gz MRUGFBAWLQDSLD-MRXNPFEDSA-N -1 3 241.312 0.811 20 0 BCADHM Cc1ccc(C(=O)NCc2cnnn2C)c([O-])c1 ZINC000288593997 388813045 /nfs/dbraw/zinc/81/30/45/388813045.db2.gz LVQNVPIFBIJCPV-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM CCC[C@@](C)(O)CNC(=O)c1c[n-]nn1 ZINC000231685242 388839531 /nfs/dbraw/zinc/83/95/31/388839531.db2.gz IMTQUYPXPVOYMO-SECBINFHSA-N -1 3 212.253 0.086 20 0 BCADHM CCC[C@@](C)(O)CNC(=O)c1cnn[n-]1 ZINC000231685242 388839535 /nfs/dbraw/zinc/83/95/35/388839535.db2.gz IMTQUYPXPVOYMO-SECBINFHSA-N -1 3 212.253 0.086 20 0 BCADHM CCC[C@@](C)(O)CNC(=O)c1cn[n-]n1 ZINC000231685242 388839538 /nfs/dbraw/zinc/83/95/38/388839538.db2.gz IMTQUYPXPVOYMO-SECBINFHSA-N -1 3 212.253 0.086 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C(C)C ZINC000523688609 388853304 /nfs/dbraw/zinc/85/33/04/388853304.db2.gz WFMFUFAHZGGRQI-QMMMGPOBSA-N -1 3 211.265 0.271 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)C(C)C ZINC000523694396 388854810 /nfs/dbraw/zinc/85/48/10/388854810.db2.gz OVHLWPVVYGGLEZ-SCZZXKLOSA-N -1 3 239.319 0.907 20 0 BCADHM O=S(=O)(CC[C@@H]1CCCCO1)c1ncn[n-]1 ZINC000541760719 388866776 /nfs/dbraw/zinc/86/67/76/388866776.db2.gz LAJMRUPSMQMRPL-QMMMGPOBSA-N -1 3 245.304 0.538 20 0 BCADHM O=S(=O)(CC[C@@H]1CCCCO1)c1nnc[n-]1 ZINC000541760719 388866778 /nfs/dbraw/zinc/86/67/78/388866778.db2.gz LAJMRUPSMQMRPL-QMMMGPOBSA-N -1 3 245.304 0.538 20 0 BCADHM CC(=O)c1cccc(NC(=O)[C@@H](C)O)c1[O-] ZINC000565306898 388937832 /nfs/dbraw/zinc/93/78/32/388937832.db2.gz HYQLRZPBDKDBDK-SSDOTTSWSA-N -1 3 223.228 0.914 20 0 BCADHM C[C@@H]1CN(C)CCN1C(=O)Cc1cncc([O-])c1 ZINC000565906073 388978068 /nfs/dbraw/zinc/97/80/68/388978068.db2.gz WHOPBXLNNVYESR-SNVBAGLBSA-N -1 3 249.314 0.492 20 0 BCADHM O=S(=O)(CCC1CC1)[N-]c1cn[nH]c1 ZINC000273918772 389044780 /nfs/dbraw/zinc/04/47/80/389044780.db2.gz FBCPFMJKWDLCRK-UHFFFAOYSA-N -1 3 215.278 0.952 20 0 BCADHM CC[C@@H]1CN(c2nc3nncc-3c(O)[n-]2)CCO1 ZINC000274674143 132203698 /nfs/dbraw/zinc/20/36/98/132203698.db2.gz MDYZVZXJDGQQHM-SSDOTTSWSA-N -1 3 249.274 0.674 20 0 BCADHM CO[C@@H]1CCCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000354567493 132269859 /nfs/dbraw/zinc/26/98/59/132269859.db2.gz FNWSZBJZIQNBBT-SSDOTTSWSA-N -1 3 248.290 0.332 20 0 BCADHM O=c1[n-]nc(C2CCN(c3ncccn3)CC2)o1 ZINC000367613369 132282185 /nfs/dbraw/zinc/28/21/85/132282185.db2.gz WDFRKSAPHDQIKA-UHFFFAOYSA-N -1 3 247.258 0.949 20 0 BCADHM O=S(=O)([N-]C[C@@H](O)C(F)F)c1ccoc1 ZINC000352064321 134054748 /nfs/dbraw/zinc/05/47/48/134054748.db2.gz XCLJATGDQGRDTL-ZCFIWIBFSA-N -1 3 241.215 0.184 20 0 BCADHM CC(C)[C@@H](C)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000176258628 134291803 /nfs/dbraw/zinc/29/18/03/134291803.db2.gz XBWYIBRWIYDLGS-MRVPVSSYSA-N -1 3 240.307 0.439 20 0 BCADHM CCOC(=O)C[N-]S(=O)(=O)CC1CCCC1 ZINC000177748579 134299835 /nfs/dbraw/zinc/29/98/35/134299835.db2.gz WEHOUXROAKXOIT-UHFFFAOYSA-N -1 3 249.332 0.659 20 0 BCADHM CN1CC[C@H](NC(=O)c2cccc([O-])c2)C1=O ZINC000227616030 134388527 /nfs/dbraw/zinc/38/85/27/134388527.db2.gz JBFGZWRUXOYZCQ-JTQLQIEISA-N -1 3 234.255 0.353 20 0 BCADHM CN(CC(=O)NCC(=O)[O-])CC1CCCC1 ZINC000262251650 135116777 /nfs/dbraw/zinc/11/67/77/135116777.db2.gz QNVLOMFZVMGHMU-UHFFFAOYSA-N -1 3 228.292 0.309 20 0 BCADHM CC(C)CN(CC(=O)NCC(=O)[O-])C1CC1 ZINC000262203237 135116874 /nfs/dbraw/zinc/11/68/74/135116874.db2.gz IPLFQYCBMVUDGO-UHFFFAOYSA-N -1 3 228.292 0.308 20 0 BCADHM COc1ccc(NC(=O)c2nc[n-]n2)cn1 ZINC000087441431 135141195 /nfs/dbraw/zinc/14/11/95/135141195.db2.gz PPILRYZXFUGUDK-UHFFFAOYSA-N -1 3 219.204 0.461 20 0 BCADHM CC[C@H]1CN(CCC(=O)[O-])C[C@H](C)O1 ZINC000261530434 135158014 /nfs/dbraw/zinc/15/80/14/135158014.db2.gz ZVGRHOIDQRRULI-IUCAKERBSA-N -1 3 201.266 0.960 20 0 BCADHM CCCN(C)CC(=O)N(C)[C@H](C)C(=O)[O-] ZINC000261534839 135167638 /nfs/dbraw/zinc/16/76/38/135167638.db2.gz NDGOHPLNVBPLSV-MRVPVSSYSA-N -1 3 216.281 0.260 20 0 BCADHM CC[C@@H](C)CN(C)CC(=O)NCC(=O)[O-] ZINC000261585141 135225695 /nfs/dbraw/zinc/22/56/95/135225695.db2.gz QFZGHHMZZKEZED-MRVPVSSYSA-N -1 3 216.281 0.165 20 0 BCADHM C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)C(=O)[O-] ZINC000261587942 135228680 /nfs/dbraw/zinc/22/86/80/135228680.db2.gz RZKYSMUZHJKDOT-HLTSFMKQSA-N -1 3 228.292 0.449 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCCN(CC(F)F)CC1 ZINC000261588237 135229586 /nfs/dbraw/zinc/22/95/86/135229586.db2.gz SFCJTZSEFILFHH-QMMMGPOBSA-N -1 3 236.262 0.732 20 0 BCADHM C[C@@H]1CC[C@H](C)CN1CC(=O)NCC(=O)[O-] ZINC000262216251 135285734 /nfs/dbraw/zinc/28/57/34/135285734.db2.gz KRFFIPMEFNDTRU-DTWKUNHWSA-N -1 3 228.292 0.308 20 0 BCADHM CC1CCC(N(C)CC(=O)NCC(=O)[O-])CC1 ZINC000262276025 135289649 /nfs/dbraw/zinc/28/96/49/135289649.db2.gz VRXOMBNTHSKBMC-UHFFFAOYSA-N -1 3 242.319 0.698 20 0 BCADHM O=C([O-])CNC(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000262208383 135289782 /nfs/dbraw/zinc/28/97/82/135289782.db2.gz JJEOBVFEENETHL-UWVGGRQHSA-N -1 3 240.303 0.452 20 0 BCADHM C[C@@H]1CN(CC(=O)NCC(=O)[O-])C(C)(C)C1 ZINC000262278350 135290058 /nfs/dbraw/zinc/29/00/58/135290058.db2.gz WEJAFRFKHNTPCE-QMMMGPOBSA-N -1 3 228.292 0.308 20 0 BCADHM CCN(CC)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262642520 135310272 /nfs/dbraw/zinc/31/02/72/135310272.db2.gz HQPKHRRTHGNVHG-JTQLQIEISA-N -1 3 242.319 0.651 20 0 BCADHM C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CCC(=O)[O-] ZINC000262867038 135321886 /nfs/dbraw/zinc/32/18/86/135321886.db2.gz IHGJTXJKUQTLIG-AOOOYVTPSA-N -1 3 242.319 0.792 20 0 BCADHM O=C(c1cccc([O-])c1)N1CC(CCO)C1 ZINC000334225296 135329526 /nfs/dbraw/zinc/32/95/26/135329526.db2.gz YJRGBUYMGCGXCO-UHFFFAOYSA-N -1 3 221.256 0.847 20 0 BCADHM CC[C@H]1CCCCN1Cc1nc(=O)n(C)[n-]1 ZINC000334363903 135373139 /nfs/dbraw/zinc/37/31/39/135373139.db2.gz FQOIOROSIBGFMN-VIFPVBQESA-N -1 3 224.308 0.873 20 0 BCADHM Cc1nn(C)cc1S(=O)(=O)[N-]C(C)(C)CF ZINC000334368420 135374630 /nfs/dbraw/zinc/37/46/30/135374630.db2.gz LYRYLOVZJNIJFM-UHFFFAOYSA-N -1 3 249.311 0.755 20 0 BCADHM O=S(=O)([N-][C@H]1CCSC1)c1ccccn1 ZINC000334386950 135382925 /nfs/dbraw/zinc/38/29/25/135382925.db2.gz OYMRQJUBIVAZKB-QMMMGPOBSA-N -1 3 244.341 0.865 20 0 BCADHM CCCCN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000334386946 135383361 /nfs/dbraw/zinc/38/33/61/135383361.db2.gz OYIZZUSFJMGNAJ-MRVPVSSYSA-N -1 3 211.265 0.023 20 0 BCADHM CN(Cc1nc(=O)n(C)[n-]1)C[C@H]1CC=CCC1 ZINC000347649937 136001247 /nfs/dbraw/zinc/00/12/47/136001247.db2.gz NFJASPRYKLFIML-JTQLQIEISA-N -1 3 236.319 0.897 20 0 BCADHM CCNC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000347804806 136013313 /nfs/dbraw/zinc/01/33/13/136013313.db2.gz QYFLENDZOCTZQS-UHFFFAOYSA-N -1 3 243.288 0.203 20 0 BCADHM O=C(NCc1ncccc1[O-])Nc1cncnc1 ZINC000347881071 136017286 /nfs/dbraw/zinc/01/72/86/136017286.db2.gz OBGWYOOCPAQMSO-UHFFFAOYSA-N -1 3 245.242 0.899 20 0 BCADHM Cc1cc(=O)[nH]cc1NC(=O)c1c[n-]nn1 ZINC000348157468 136040706 /nfs/dbraw/zinc/04/07/06/136040706.db2.gz IPYQLOSTRIQAFS-UHFFFAOYSA-N -1 3 219.204 0.466 20 0 BCADHM Cc1cc(=O)[nH]cc1NC(=O)c1cnn[n-]1 ZINC000348157468 136040707 /nfs/dbraw/zinc/04/07/07/136040707.db2.gz IPYQLOSTRIQAFS-UHFFFAOYSA-N -1 3 219.204 0.466 20 0 BCADHM Cc1cc(=O)[nH]cc1NC(=O)c1cn[n-]n1 ZINC000348157468 136040708 /nfs/dbraw/zinc/04/07/08/136040708.db2.gz IPYQLOSTRIQAFS-UHFFFAOYSA-N -1 3 219.204 0.466 20 0 BCADHM Cn1[n-]c(CN2CC[C@@H]3CCCC[C@@H]32)nc1=O ZINC000335389971 136090712 /nfs/dbraw/zinc/09/07/12/136090712.db2.gz QNDGXQVUUYVHCL-UWVGGRQHSA-N -1 3 236.319 0.873 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)n1 ZINC000335395981 136092460 /nfs/dbraw/zinc/09/24/60/136092460.db2.gz DXPBNAZMBZAHRY-SFYZADRCSA-N -1 3 247.295 0.589 20 0 BCADHM O=c1[n-]nc(CN2CCO[C@H](C3CC3)C2)s1 ZINC000367047937 136113271 /nfs/dbraw/zinc/11/32/71/136113271.db2.gz OPQVZXFYDJYVER-QMMMGPOBSA-N -1 3 241.316 0.855 20 0 BCADHM Cc1ccc([O-])c(CN(C)[C@@H]2COC[C@@H]2O)n1 ZINC000348642736 136114630 /nfs/dbraw/zinc/11/46/30/136114630.db2.gz LEPDOJTYMRTMQW-PWSUYJOCSA-N -1 3 238.287 0.287 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)CCO)n1 ZINC000268222307 397950379 /nfs/dbraw/zinc/95/03/79/397950379.db2.gz MMZSVFDDLSCFTA-UHFFFAOYSA-N -1 3 211.265 0.169 20 0 BCADHM O=S(=O)([N-]c1cncnc1)N1CCCC1 ZINC000274279628 398006893 /nfs/dbraw/zinc/00/68/93/398006893.db2.gz KGRCMCWRFILCBP-UHFFFAOYSA-N -1 3 228.277 0.229 20 0 BCADHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1ccco1 ZINC000275492171 398021757 /nfs/dbraw/zinc/02/17/57/398021757.db2.gz PJLBANBWWPGJAO-GKQMSVHHSA-N -1 3 245.300 0.885 20 0 BCADHM CCC[C@@H](C)[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC000649691212 398037135 /nfs/dbraw/zinc/03/71/35/398037135.db2.gz QUWDKWSMMTUFNF-SFYZADRCSA-N -1 3 228.296 0.397 20 0 BCADHM CCC[C@@H](C)[C@@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC000649691210 398037336 /nfs/dbraw/zinc/03/73/36/398037336.db2.gz QUWDKWSMMTUFNF-HTQZYQBOSA-N -1 3 228.296 0.397 20 0 BCADHM CCC[C@H](C)[C@H](CO)NCc1n[nH]c(=O)[n-]1 ZINC000649691213 398037790 /nfs/dbraw/zinc/03/77/90/398037790.db2.gz QUWDKWSMMTUFNF-YUMQZZPRSA-N -1 3 228.296 0.397 20 0 BCADHM Cc1cc(C(=O)N2CC[C@H](O)C2)ccc1[O-] ZINC000202526386 397970269 /nfs/dbraw/zinc/97/02/69/397970269.db2.gz VIHWRMFYHWRXLX-JTQLQIEISA-N -1 3 221.256 0.907 20 0 BCADHM CCCCC(=O)N(CCN(C)C)CC(=O)[O-] ZINC000225915348 397976266 /nfs/dbraw/zinc/97/62/66/397976266.db2.gz MTKROEFAQGZCTM-UHFFFAOYSA-N -1 3 230.308 0.651 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H](C)CO)c1 ZINC000035204792 398104049 /nfs/dbraw/zinc/10/40/49/398104049.db2.gz VUENNRKRRDPZEQ-MRVPVSSYSA-N -1 3 209.245 0.811 20 0 BCADHM CC1(C(=O)[N-]c2nnc3[nH]cnn23)CCCC1 ZINC000647738247 398098124 /nfs/dbraw/zinc/09/81/24/398098124.db2.gz HDYZKPPABJSNAE-UHFFFAOYSA-N -1 3 234.263 0.971 20 0 BCADHM COc1ncncc1NC([O-])=NOCC1CC1 ZINC000292818209 398109723 /nfs/dbraw/zinc/10/97/23/398109723.db2.gz SMCROKARZYSXNB-UHFFFAOYSA-N -1 3 238.247 0.948 20 0 BCADHM COc1ncncc1NC(=O)[N-]OCC1CC1 ZINC000292818209 398109725 /nfs/dbraw/zinc/10/97/25/398109725.db2.gz SMCROKARZYSXNB-UHFFFAOYSA-N -1 3 238.247 0.948 20 0 BCADHM Cc1ccc([O-])c(C(=O)N[C@H](C)CC(N)=O)c1 ZINC000135388484 398134474 /nfs/dbraw/zinc/13/44/74/398134474.db2.gz NVPDTIMLPQEKAQ-MRVPVSSYSA-N -1 3 236.271 0.694 20 0 BCADHM C[C@H]([N-]S(C)(=O)=O)c1nc(C2CCC2)no1 ZINC000680692077 487557877 /nfs/dbraw/zinc/55/78/77/487557877.db2.gz PEXWIBDVAKXZGS-LURJTMIESA-N -1 3 245.304 0.947 20 0 BCADHM Cc1ccc([O-])c(NC(=O)C2(C(N)=O)CC2)n1 ZINC000680320642 487561142 /nfs/dbraw/zinc/56/11/42/487561142.db2.gz BEDMBSLCNMRNCP-UHFFFAOYSA-N -1 3 235.243 0.300 20 0 BCADHM O=C(c1cccc2[n-]nnc21)N1CCCOCC1 ZINC000527354870 487572325 /nfs/dbraw/zinc/57/23/25/487572325.db2.gz BIBQJGZOOFUWMR-UHFFFAOYSA-N -1 3 246.270 0.820 20 0 BCADHM O=C(c1cccc2nn[n-]c21)N1CCCOCC1 ZINC000527354870 487572329 /nfs/dbraw/zinc/57/23/29/487572329.db2.gz BIBQJGZOOFUWMR-UHFFFAOYSA-N -1 3 246.270 0.820 20 0 BCADHM O=C(c1cccc2n[n-]nc21)N1CCCOCC1 ZINC000527354870 487572333 /nfs/dbraw/zinc/57/23/33/487572333.db2.gz BIBQJGZOOFUWMR-UHFFFAOYSA-N -1 3 246.270 0.820 20 0 BCADHM Cn1[n-]c(CN2CCC[C@H]2C2CC2)nc1=O ZINC000680372728 487576330 /nfs/dbraw/zinc/57/63/30/487576330.db2.gz LSTJDEKNGOWRIE-VIFPVBQESA-N -1 3 222.292 0.483 20 0 BCADHM Cc1ccc(C(=O)NC(CO)CO)c([O-])c1C ZINC000680451539 487594869 /nfs/dbraw/zinc/59/48/69/487594869.db2.gz KEUITDMHZGPGBX-UHFFFAOYSA-N -1 3 239.271 0.092 20 0 BCADHM CCCN(C(=O)C[C@@H]1NC(=O)[N-]C1=O)C(C)C ZINC000655238731 409683698 /nfs/dbraw/zinc/68/36/98/409683698.db2.gz SIBTVZIIPKYORF-QMMMGPOBSA-N -1 3 241.291 0.232 20 0 BCADHM O=S1(=O)CC[C@H](c2nc(CC3CC3)no2)[N-]1 ZINC000650216538 409732246 /nfs/dbraw/zinc/73/22/46/409732246.db2.gz CEARKCXVHOTZIF-SSDOTTSWSA-N -1 3 243.288 0.386 20 0 BCADHM O=C(COc1ccc2c([O-])coc2c1)NC1CC1 ZINC000057524394 410181488 /nfs/dbraw/zinc/18/14/88/410181488.db2.gz ONMKLAIHTMVPLR-UHFFFAOYSA-N -1 3 247.250 0.919 20 0 BCADHM C[C@H]1CN(C(=O)Cc2cncc([O-])c2)C[C@@H]1O ZINC000655393795 410198168 /nfs/dbraw/zinc/19/81/68/410198168.db2.gz WPXILKMKIJYURZ-KWQFWETISA-N -1 3 236.271 0.169 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CC[C@@H](F)C1 ZINC000655404323 410208632 /nfs/dbraw/zinc/20/86/32/410208632.db2.gz KQTVCILRANIFLE-SECBINFHSA-N -1 3 224.235 0.900 20 0 BCADHM CCC(CC)(C(=O)[O-])C(=O)NC[C@@H](C)N(C)C ZINC000653304781 410875317 /nfs/dbraw/zinc/87/53/17/410875317.db2.gz WYZWFIYBOLFLOF-SECBINFHSA-N -1 3 244.335 0.944 20 0 BCADHM CC(C)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000355640493 167129806 /nfs/dbraw/zinc/12/98/06/167129806.db2.gz ZNHQVKBANUGREK-UHFFFAOYSA-N -1 3 243.332 0.906 20 0 BCADHM CC(C)[C@@H](C)C(=O)Nc1[n-]nnc1C(N)=O ZINC000297849651 167354153 /nfs/dbraw/zinc/35/41/53/167354153.db2.gz RVWOXFICVMZVEC-RXMQYKEDSA-N -1 3 225.252 0.134 20 0 BCADHM CC(C)[C@@H](C)C(=O)Nc1nn[n-]c1C(N)=O ZINC000297849651 167354155 /nfs/dbraw/zinc/35/41/55/167354155.db2.gz RVWOXFICVMZVEC-RXMQYKEDSA-N -1 3 225.252 0.134 20 0 BCADHM CC(C)[C@@H](C)C(=O)Nc1n[n-]nc1C(N)=O ZINC000297849651 167354158 /nfs/dbraw/zinc/35/41/58/167354158.db2.gz RVWOXFICVMZVEC-RXMQYKEDSA-N -1 3 225.252 0.134 20 0 BCADHM CCCN(C)CC(=O)NC1(CC(=O)[O-])CCC1 ZINC000653321210 410993534 /nfs/dbraw/zinc/99/35/34/410993534.db2.gz GFZNVHUUYJJZEL-UHFFFAOYSA-N -1 3 242.319 0.842 20 0 BCADHM CN(C)CCn1[n-]c(C(F)(F)F)cc1=O ZINC000054433571 411141283 /nfs/dbraw/zinc/14/12/83/411141283.db2.gz IEIQYGZMIOYXQF-UHFFFAOYSA-N -1 3 223.198 0.699 20 0 BCADHM CC(C)c1nn(C)cc1NC(=O)c1nc[n-]n1 ZINC000305894179 167701412 /nfs/dbraw/zinc/70/14/12/167701412.db2.gz QRPWULFUBSISSB-UHFFFAOYSA-N -1 3 234.263 0.914 20 0 BCADHM C[C@H](O)C1([N-]S(=O)(=O)c2ccccn2)CC1 ZINC000660046864 411191804 /nfs/dbraw/zinc/19/18/04/411191804.db2.gz NIJVVYIHLVRPPM-QMMMGPOBSA-N -1 3 242.300 0.273 20 0 BCADHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)CO)c1 ZINC000305253085 167777679 /nfs/dbraw/zinc/77/76/79/167777679.db2.gz JGUZZGDHVYGWAL-QMMMGPOBSA-N -1 3 247.320 0.123 20 0 BCADHM CC[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCCO1 ZINC000653875685 411206003 /nfs/dbraw/zinc/20/60/03/411206003.db2.gz YIFROCNYFJAFEH-BDAKNGLRSA-N -1 3 240.307 0.948 20 0 BCADHM C[C@@H](O)CCN(C)C(=O)c1c([O-])cccc1O ZINC000092124664 411268603 /nfs/dbraw/zinc/26/86/03/411268603.db2.gz LKUQYIOCKWBEHL-MRVPVSSYSA-N -1 3 239.271 0.941 20 0 BCADHM CCC[C@@H](CCO)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000632620831 411319829 /nfs/dbraw/zinc/31/98/29/411319829.db2.gz ZUORYGOVTMCKLL-QMMMGPOBSA-N -1 3 247.320 0.239 20 0 BCADHM C[C@H](COCC1CC1)NC(=O)c1c[n-]nn1 ZINC000652907333 411320028 /nfs/dbraw/zinc/32/00/28/411320028.db2.gz IWIDFDMVNOUYFY-SSDOTTSWSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](COCC1CC1)NC(=O)c1cnn[n-]1 ZINC000652907333 411320029 /nfs/dbraw/zinc/32/00/29/411320029.db2.gz IWIDFDMVNOUYFY-SSDOTTSWSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H](COCC1CC1)NC(=O)c1cn[n-]n1 ZINC000652907333 411320030 /nfs/dbraw/zinc/32/00/30/411320030.db2.gz IWIDFDMVNOUYFY-SSDOTTSWSA-N -1 3 224.264 0.350 20 0 BCADHM CCN(CC)C(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000062936195 411324752 /nfs/dbraw/zinc/32/47/52/411324752.db2.gz VTTGRZCUWVIDLC-LBPRGKRZSA-N -1 3 242.319 0.651 20 0 BCADHM C[C@@H](C(=O)[O-])N1CCO[C@](C)(C2CC2)C1 ZINC000656758477 411353531 /nfs/dbraw/zinc/35/35/31/411353531.db2.gz ZQDGPIOFFYWZLV-KWQFWETISA-N -1 3 213.277 0.960 20 0 BCADHM c1nnc([N-]Cc2cn(C3CCC3)nn2)o1 ZINC000656773506 411354428 /nfs/dbraw/zinc/35/44/28/411354428.db2.gz VYTMCOSTVTXBIJ-UHFFFAOYSA-N -1 3 220.236 0.998 20 0 BCADHM C[C@@H](CN(C)C)Nc1cncc(C(=O)[O-])n1 ZINC000130540135 411358068 /nfs/dbraw/zinc/35/80/68/411358068.db2.gz COCVEFSWMHMCCH-ZETCQYMHSA-N -1 3 224.264 0.537 20 0 BCADHM CC[C@@H]1CN(CCC(=O)[O-])[C@@H](C)CO1 ZINC000403986780 411371832 /nfs/dbraw/zinc/37/18/32/411371832.db2.gz IHISZUGQJYEQPJ-DTWKUNHWSA-N -1 3 201.266 0.960 20 0 BCADHM CC[C@@H]1CN(CCC(=O)[O-])[C@H](C)CO1 ZINC000403986783 411372017 /nfs/dbraw/zinc/37/20/17/411372017.db2.gz IHISZUGQJYEQPJ-RKDXNWHRSA-N -1 3 201.266 0.960 20 0 BCADHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccco2)C[C@@H]1O ZINC000188863983 168003136 /nfs/dbraw/zinc/00/31/36/168003136.db2.gz HDZVPDVVVNFOKH-SFYZADRCSA-N -1 3 245.300 0.717 20 0 BCADHM CC1(C)[C@H](O)CCN1C(=O)c1csc(=O)[n-]1 ZINC000330316458 168007634 /nfs/dbraw/zinc/00/76/34/168007634.db2.gz PYKBRZGLUTUZPK-SSDOTTSWSA-N -1 3 242.300 0.834 20 0 BCADHM CC1(CNC(=O)c2ccccc2[O-])OCCO1 ZINC000178509882 168037598 /nfs/dbraw/zinc/03/75/98/168037598.db2.gz CXOZHXIICDIVSK-UHFFFAOYSA-N -1 3 237.255 0.885 20 0 BCADHM CC1(CNC(=O)c2cccc([O-])c2)OCCO1 ZINC000182881743 168037608 /nfs/dbraw/zinc/03/76/08/168037608.db2.gz OIRGXRHFLYIRMR-UHFFFAOYSA-N -1 3 237.255 0.885 20 0 BCADHM CC(C)N(C1CC1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662205770 411377119 /nfs/dbraw/zinc/37/71/19/411377119.db2.gz ZXPQWOJDMWGVIS-SNVBAGLBSA-N -1 3 240.303 0.545 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C(C)C)N(C)C ZINC000653343276 411382581 /nfs/dbraw/zinc/38/25/81/411382581.db2.gz RNUNXNCMDHSGGF-UWVGGRQHSA-N -1 3 244.335 0.894 20 0 BCADHM CCC(C)(CC)NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270595452 168306646 /nfs/dbraw/zinc/30/66/46/168306646.db2.gz MZFZOKRNJRVCBR-ZETCQYMHSA-N -1 3 241.291 0.279 20 0 BCADHM O=S(=O)([N-][C@]12C[C@H]1CCC2)c1c[nH]cn1 ZINC000657054144 411397264 /nfs/dbraw/zinc/39/72/64/411397264.db2.gz SWOOTYWXQHXHPK-VXNVDRBHSA-N -1 3 227.289 0.631 20 0 BCADHM Cc1noc(C)c1S(=O)(=O)[N-]C/C=C/CO ZINC000657086679 411404648 /nfs/dbraw/zinc/40/46/48/411404648.db2.gz TVDJOXCPZHNVEI-ONEGZZNKSA-N -1 3 246.288 0.118 20 0 BCADHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000657105852 411406785 /nfs/dbraw/zinc/40/67/85/411406785.db2.gz HLFUAQDDPPXDRJ-ZKCHVHJHSA-N -1 3 245.304 0.256 20 0 BCADHM CC[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C1CC1 ZINC000657175328 411415128 /nfs/dbraw/zinc/41/51/28/411415128.db2.gz GUQNRXXPUBETEN-SECBINFHSA-N -1 3 243.332 0.887 20 0 BCADHM CCc1nsc(SCCc2nnn[n-]2)n1 ZINC000657208626 411418982 /nfs/dbraw/zinc/41/89/82/411418982.db2.gz BQDIBGWYLNDVFC-UHFFFAOYSA-N -1 3 242.333 0.948 20 0 BCADHM CCc1nsc(SCCc2nn[n-]n2)n1 ZINC000657208626 411418985 /nfs/dbraw/zinc/41/89/85/411418985.db2.gz BQDIBGWYLNDVFC-UHFFFAOYSA-N -1 3 242.333 0.948 20 0 BCADHM CCc1cc(=O)[n-]c(CN(C)CCOC)n1 ZINC000268205560 411422159 /nfs/dbraw/zinc/42/21/59/411422159.db2.gz IVWKKOANVSJONU-UHFFFAOYSA-N -1 3 225.292 0.823 20 0 BCADHM CCCN(C)CC(=O)NCC1(C(=O)[O-])CCC1 ZINC000659786035 411453762 /nfs/dbraw/zinc/45/37/62/411453762.db2.gz XIQUSYRTGHDFOQ-UHFFFAOYSA-N -1 3 242.319 0.699 20 0 BCADHM C[C@@H]1SCC[C@H]1NC(=O)c1c[n-]nn1 ZINC000307752943 411484150 /nfs/dbraw/zinc/48/41/50/411484150.db2.gz UFJYGXSCXIFGGY-NTSWFWBYSA-N -1 3 212.278 0.429 20 0 BCADHM C[C@@H]1SCC[C@H]1NC(=O)c1cnn[n-]1 ZINC000307752943 411484152 /nfs/dbraw/zinc/48/41/52/411484152.db2.gz UFJYGXSCXIFGGY-NTSWFWBYSA-N -1 3 212.278 0.429 20 0 BCADHM C[C@@H]1SCC[C@H]1NC(=O)c1cn[n-]n1 ZINC000307752943 411484155 /nfs/dbraw/zinc/48/41/55/411484155.db2.gz UFJYGXSCXIFGGY-NTSWFWBYSA-N -1 3 212.278 0.429 20 0 BCADHM CC[C@@H](C(=O)NC[C@H](C)C(=O)[O-])N(CC)CC ZINC000655559984 411507666 /nfs/dbraw/zinc/50/76/66/411507666.db2.gz GSQCKQLNCISRNC-UWVGGRQHSA-N -1 3 244.335 0.944 20 0 BCADHM CO[C@@](C)(CO)CNCc1nc(C)ccc1[O-] ZINC000655808755 411522591 /nfs/dbraw/zinc/52/25/91/411522591.db2.gz IDJBEGQWLSCWLS-GFCCVEGCSA-N -1 3 240.303 0.583 20 0 BCADHM CCNC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000081604144 170101329 /nfs/dbraw/zinc/10/13/29/170101329.db2.gz GQCKTSAVSWYNTA-UHFFFAOYSA-N -1 3 246.288 0.246 20 0 BCADHM CC[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000032617352 170137209 /nfs/dbraw/zinc/13/72/09/170137209.db2.gz ZGVOPAZHBWOIRK-UHFFFAOYSA-N -1 3 249.317 0.400 20 0 BCADHM CCOC(=O)CC(=O)NCc1ncccc1[O-] ZINC000352499655 170196010 /nfs/dbraw/zinc/19/60/10/170196010.db2.gz GYQZZTUSPNOQQY-UHFFFAOYSA-N -1 3 238.243 0.357 20 0 BCADHM CCOC(=O)CC(=O)Nc1nc(C)ccc1[O-] ZINC000279990500 170197531 /nfs/dbraw/zinc/19/75/31/170197531.db2.gz AQZPLYITIUPECZ-UHFFFAOYSA-N -1 3 238.243 0.987 20 0 BCADHM CCOC(C)(C)CNC(=O)c1c[n-]nn1 ZINC000167082769 170312443 /nfs/dbraw/zinc/31/24/43/170312443.db2.gz OQDUPLIXPMHHTR-UHFFFAOYSA-N -1 3 212.253 0.350 20 0 BCADHM CCOC(C)(C)CNC(=O)c1cnn[n-]1 ZINC000167082769 170312445 /nfs/dbraw/zinc/31/24/45/170312445.db2.gz OQDUPLIXPMHHTR-UHFFFAOYSA-N -1 3 212.253 0.350 20 0 BCADHM CCOC(C)(C)CNC(=O)c1cn[n-]n1 ZINC000167082769 170312447 /nfs/dbraw/zinc/31/24/47/170312447.db2.gz OQDUPLIXPMHHTR-UHFFFAOYSA-N -1 3 212.253 0.350 20 0 BCADHM CCOC1CC(C(=O)Nc2nnc(OC)[n-]2)C1 ZINC000291491941 170322700 /nfs/dbraw/zinc/32/27/00/170322700.db2.gz BGVSFXSTIGABKR-UHFFFAOYSA-N -1 3 240.263 0.567 20 0 BCADHM CCOC1CC(C(=O)Nc2n[n-]c(OC)n2)C1 ZINC000291491941 170322703 /nfs/dbraw/zinc/32/27/03/170322703.db2.gz BGVSFXSTIGABKR-UHFFFAOYSA-N -1 3 240.263 0.567 20 0 BCADHM CCOC1CC(C(=O)Nc2nc(OC)n[n-]2)C1 ZINC000291491941 170322705 /nfs/dbraw/zinc/32/27/05/170322705.db2.gz BGVSFXSTIGABKR-UHFFFAOYSA-N -1 3 240.263 0.567 20 0 BCADHM CCOCC1(C(=O)Nc2nnc(OC)[n-]2)CC1 ZINC000282096434 170356950 /nfs/dbraw/zinc/35/69/50/170356950.db2.gz YYDSDVRAOYHROG-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOCC1(C(=O)Nc2n[n-]c(OC)n2)CC1 ZINC000282096434 170356953 /nfs/dbraw/zinc/35/69/53/170356953.db2.gz YYDSDVRAOYHROG-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOCC1(C(=O)Nc2nc(OC)n[n-]2)CC1 ZINC000282096434 170356955 /nfs/dbraw/zinc/35/69/55/170356955.db2.gz YYDSDVRAOYHROG-UHFFFAOYSA-N -1 3 240.263 0.569 20 0 BCADHM CCOCCC[N-]S(=O)(=O)c1ccco1 ZINC000188554581 170381644 /nfs/dbraw/zinc/38/16/44/170381644.db2.gz KCPBORBYOZHWOR-UHFFFAOYSA-N -1 3 233.289 0.985 20 0 BCADHM Cc1cc([N-]C(=O)c2cn(C(C)C)nn2)no1 ZINC000431679998 411638463 /nfs/dbraw/zinc/63/84/63/411638463.db2.gz SDQAHGCPMXNWCV-UHFFFAOYSA-N -1 3 235.247 1.408 20 0 BCADHM CCC(CC)[C@H](CN=c1nn[n-]n1C)N(C)C ZINC000663381108 411642628 /nfs/dbraw/zinc/64/26/28/411642628.db2.gz ZWBBTMRXEJWUCV-JTQLQIEISA-N -1 3 240.355 0.410 20 0 BCADHM O=C(N[C@H]1CCC[C@@H]1O)c1ccc2n[n-]nc2c1 ZINC000133120951 411621544 /nfs/dbraw/zinc/62/15/44/411621544.db2.gz KBYNRKMWLYAIGG-ONGXEEELSA-N -1 3 246.270 0.601 20 0 BCADHM Cc1nccn1CCN(C)Cc1n[n-]c(=O)o1 ZINC000660841854 411654506 /nfs/dbraw/zinc/65/45/06/411654506.db2.gz IYFDJNFRCCHSIX-UHFFFAOYSA-N -1 3 237.263 0.412 20 0 BCADHM CN(Cc1n[n-]c(=O)o1)C[C@H]1CCOC1 ZINC000660845991 411656836 /nfs/dbraw/zinc/65/68/36/411656836.db2.gz VVJHVMOBFCCPMP-SSDOTTSWSA-N -1 3 213.237 0.244 20 0 BCADHM Cc1ccc(C(=O)[N-]c2ncn(C)n2)o1 ZINC000334459032 411676125 /nfs/dbraw/zinc/67/61/25/411676125.db2.gz SBNSEFUWBHAGGP-UHFFFAOYSA-N -1 3 206.205 0.969 20 0 BCADHM CCOC(=O)c1ccc(C[N-]c2nnco2)o1 ZINC000351228204 411686618 /nfs/dbraw/zinc/68/66/18/411686618.db2.gz OUMWLZOTOUNTDC-UHFFFAOYSA-N -1 3 237.215 1.451 20 0 BCADHM O[C@@H](C[N-]c1nnc(C(F)F)o1)C(F)F ZINC000336650940 411694761 /nfs/dbraw/zinc/69/47/61/411694761.db2.gz RGOLWZCSYVVLKB-REOHCLBHSA-N -1 3 229.133 1.045 20 0 BCADHM CC[C@@H]([N-]c1noc(C(C)(C)C)n1)C(=O)NC ZINC000450939749 411731436 /nfs/dbraw/zinc/73/14/36/411731436.db2.gz KSZDXHOBYRKSCG-SSDOTTSWSA-N -1 3 240.307 1.304 20 0 BCADHM Cc1cncnc1NCCCc1c[n-][nH]c1=O ZINC000641658761 411741905 /nfs/dbraw/zinc/74/19/05/411741905.db2.gz IVBQDIPYEFAYEG-SECBINFHSA-N -1 3 233.275 0.709 20 0 BCADHM Cc1cnc(Sc2nnc(CO)[n-]2)nc1 ZINC000663836778 411757199 /nfs/dbraw/zinc/75/71/99/411757199.db2.gz OKEJFTOBUXRGGT-UHFFFAOYSA-N -1 3 223.261 0.547 20 0 BCADHM Cc1cnc(Sc2nc(CO)n[n-]2)nc1 ZINC000663836778 411757203 /nfs/dbraw/zinc/75/72/03/411757203.db2.gz OKEJFTOBUXRGGT-UHFFFAOYSA-N -1 3 223.261 0.547 20 0 BCADHM Cc1cnc(Sc2n[n-]c(CO)n2)nc1 ZINC000663836778 411757207 /nfs/dbraw/zinc/75/72/07/411757207.db2.gz OKEJFTOBUXRGGT-UHFFFAOYSA-N -1 3 223.261 0.547 20 0 BCADHM COc1ccnc(C[N-]c2nnc(C3CC3)o2)n1 ZINC000576866761 411764543 /nfs/dbraw/zinc/76/45/43/411764543.db2.gz JPHDORCOEFXCAB-UHFFFAOYSA-N -1 3 247.258 1.358 20 0 BCADHM Cc1nc([N-]C(=O)c2ccco2)nn1C ZINC000335836906 411773003 /nfs/dbraw/zinc/77/30/03/411773003.db2.gz NNRWOHVCRSZDQQ-UHFFFAOYSA-N -1 3 206.205 0.969 20 0 BCADHM CCc1ncc(C[N-]c2nnc(CO)o2)s1 ZINC000336776239 411788391 /nfs/dbraw/zinc/78/83/91/411788391.db2.gz FFVVIVNNSDVWJP-UHFFFAOYSA-N -1 3 240.288 1.193 20 0 BCADHM CSc1ccc(C(=O)[N-]c2ncn(C)n2)o1 ZINC000334214369 411794195 /nfs/dbraw/zinc/79/41/95/411794195.db2.gz QPGNBFKCEAVFIS-UHFFFAOYSA-N -1 3 238.272 1.382 20 0 BCADHM Cn1[n-]c([C@H]2CCCN2c2ncccn2)nc1=N ZINC000663961014 411791094 /nfs/dbraw/zinc/79/10/94/411791094.db2.gz BJPFYGKMZJKVOK-MRVPVSSYSA-N -1 3 245.290 0.359 20 0 BCADHM CC[C@@H](C(=O)[N-]C1=NCCS1)C(=O)OC ZINC000276656136 170662012 /nfs/dbraw/zinc/66/20/12/170662012.db2.gz PRQYORUICXLWHN-LURJTMIESA-N -1 3 230.289 0.405 20 0 BCADHM CSc1nnc(NC(=O)c2ccncn2)[n-]1 ZINC000494843412 411801899 /nfs/dbraw/zinc/80/18/99/411801899.db2.gz AUBBOCJLHLHABG-UHFFFAOYSA-N -1 3 236.260 0.569 20 0 BCADHM CSc1n[n-]c(NC(=O)c2ccncn2)n1 ZINC000494843412 411801904 /nfs/dbraw/zinc/80/19/04/411801904.db2.gz AUBBOCJLHLHABG-UHFFFAOYSA-N -1 3 236.260 0.569 20 0 BCADHM CSc1nc(NC(=O)c2ccncn2)n[n-]1 ZINC000494843412 411801906 /nfs/dbraw/zinc/80/19/06/411801906.db2.gz AUBBOCJLHLHABG-UHFFFAOYSA-N -1 3 236.260 0.569 20 0 BCADHM Cc1cn(C)nc1[N-]C(=O)c1nc(C)no1 ZINC000620923180 411812910 /nfs/dbraw/zinc/81/29/10/411812910.db2.gz HILHQRRTEPZMGQ-UHFFFAOYSA-N -1 3 221.220 0.672 20 0 BCADHM CO[C@H](C)CNC(=O)NCc1ncccc1[O-] ZINC000661712345 411854012 /nfs/dbraw/zinc/85/40/12/411854012.db2.gz OVASYXDXLWLQKI-MRVPVSSYSA-N -1 3 239.275 0.621 20 0 BCADHM CO[C@@H]1CC[C@@H](N=c2nc3[nH][n-]cc-3c(N)n2)C1 ZINC000350685066 411897398 /nfs/dbraw/zinc/89/73/98/411897398.db2.gz NHOFANFYZHSDCZ-RNFRBKRXSA-N -1 3 248.290 0.288 20 0 BCADHM Cc1cccc(C(=O)NCc2nnc(N)o2)c1[O-] ZINC000436587675 411922004 /nfs/dbraw/zinc/92/20/04/411922004.db2.gz ZEUQPIPGLDMCIW-UHFFFAOYSA-N -1 3 248.242 0.596 20 0 BCADHM Nc1nc(=NC2CCCC2)nc2[nH][n-]cc1-2 ZINC000336660067 411924209 /nfs/dbraw/zinc/92/42/09/411924209.db2.gz JINWAMLJZLXNTA-UHFFFAOYSA-N -1 3 218.264 0.663 20 0 BCADHM Nc1nc(=N[C@@H]2CC[C@H](F)C2)nc2[nH][n-]cc1-2 ZINC000340973275 411924574 /nfs/dbraw/zinc/92/45/74/411924574.db2.gz QEIOUVSUINZHPP-NTSWFWBYSA-N -1 3 236.254 0.611 20 0 BCADHM C[C@H]1C[C@@H]1CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000381649684 411929594 /nfs/dbraw/zinc/92/95/94/411929594.db2.gz RKBBCIVPEPMDPF-NTSWFWBYSA-N -1 3 218.264 0.377 20 0 BCADHM C[C@H]1C[C@@H](N=c2nc3[nH][n-]cc-3c(N)n2)CCO1 ZINC000354578653 411929770 /nfs/dbraw/zinc/92/97/70/411929770.db2.gz ZHNREGNOOTZTRQ-BQBZGAKWSA-N -1 3 248.290 0.288 20 0 BCADHM CC/C=C/CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000450696380 411873863 /nfs/dbraw/zinc/87/38/63/411873863.db2.gz SHHAGTNXOHUBSR-ONEGZZNKSA-N -1 3 218.264 0.687 20 0 BCADHM OC[C@H](N=c1ncnc2[nH][n-]cc1-2)C1CCC1 ZINC000664173050 411879739 /nfs/dbraw/zinc/87/97/39/411879739.db2.gz ZWYSDKQZVMMMSK-VIFPVBQESA-N -1 3 233.275 0.299 20 0 BCADHM Nc1ncncc1CNC(=O)c1cccc([O-])c1 ZINC000357424711 411984770 /nfs/dbraw/zinc/98/47/70/411984770.db2.gz PYXYUCDBJRMSDB-UHFFFAOYSA-N -1 3 244.254 0.694 20 0 BCADHM CC[C@@H]1C[C@H]1C(=O)Nc1[n-]nnc1C(=O)NC ZINC000662142486 412003769 /nfs/dbraw/zinc/00/37/69/412003769.db2.gz XHRNKVYGQJBZBE-PHDIDXHHSA-N -1 3 237.263 0.149 20 0 BCADHM CC[C@@H]1C[C@H]1C(=O)Nc1nn[n-]c1C(=O)NC ZINC000662142486 412003773 /nfs/dbraw/zinc/00/37/73/412003773.db2.gz XHRNKVYGQJBZBE-PHDIDXHHSA-N -1 3 237.263 0.149 20 0 BCADHM CC[C@@H]1C[C@H]1C(=O)Nc1n[n-]nc1C(=O)NC ZINC000662142486 412003776 /nfs/dbraw/zinc/00/37/76/412003776.db2.gz XHRNKVYGQJBZBE-PHDIDXHHSA-N -1 3 237.263 0.149 20 0 BCADHM Cc1cc(C(=O)NCc2nnc(N)o2)ccc1[O-] ZINC000354837368 411946563 /nfs/dbraw/zinc/94/65/63/411946563.db2.gz NXZHIIIOVJCXIB-UHFFFAOYSA-N -1 3 248.242 0.596 20 0 BCADHM CCCN(CCC)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662202583 412024130 /nfs/dbraw/zinc/02/41/30/412024130.db2.gz ZXOOOJWBCGKVCP-SNVBAGLBSA-N -1 3 242.319 0.794 20 0 BCADHM CC1(C)CCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662200345 412024588 /nfs/dbraw/zinc/02/45/88/412024588.db2.gz AKFGVPSWOVPOLT-SECBINFHSA-N -1 3 240.303 0.546 20 0 BCADHM CC[C@H](C)CC(=O)Nc1[n-]nnc1C(N)=O ZINC000297691673 171263616 /nfs/dbraw/zinc/26/36/16/171263616.db2.gz HQGLYVWWJMSJPG-YFKPBYRVSA-N -1 3 225.252 0.278 20 0 BCADHM CC[C@H](C)CC(=O)Nc1nn[n-]c1C(N)=O ZINC000297691673 171263618 /nfs/dbraw/zinc/26/36/18/171263618.db2.gz HQGLYVWWJMSJPG-YFKPBYRVSA-N -1 3 225.252 0.278 20 0 BCADHM CC[C@H](C)CC(=O)Nc1n[n-]nc1C(N)=O ZINC000297691673 171263619 /nfs/dbraw/zinc/26/36/19/171263619.db2.gz HQGLYVWWJMSJPG-YFKPBYRVSA-N -1 3 225.252 0.278 20 0 BCADHM CC[C@H](C)OCC(=O)Nc1nnc(OC)[n-]1 ZINC000182982335 171355235 /nfs/dbraw/zinc/35/52/35/171355235.db2.gz BKFZEYFBUWAKQJ-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CC[C@H](C)OCC(=O)Nc1n[n-]c(OC)n1 ZINC000182982335 171355236 /nfs/dbraw/zinc/35/52/36/171355236.db2.gz BKFZEYFBUWAKQJ-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM CC[C@H](C)OCC(=O)Nc1nc(OC)n[n-]1 ZINC000182982335 171355237 /nfs/dbraw/zinc/35/52/37/171355237.db2.gz BKFZEYFBUWAKQJ-LURJTMIESA-N -1 3 228.252 0.567 20 0 BCADHM COCC1(NCc2n[nH]c(=O)[n-]2)CCCCC1 ZINC000662341244 412110155 /nfs/dbraw/zinc/11/01/55/412110155.db2.gz NKBICTAVFGYMHY-UHFFFAOYSA-N -1 3 240.307 0.949 20 0 BCADHM Cn1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000417027143 412130493 /nfs/dbraw/zinc/13/04/93/412130493.db2.gz MNOKAIINICHQTF-UHFFFAOYSA-N -1 3 245.286 1.405 20 0 BCADHM Cn1cnc(NC(=O)c2cc(C(F)F)[n-]n2)n1 ZINC000640360139 412152629 /nfs/dbraw/zinc/15/26/29/412152629.db2.gz NZGCPONUVLOKKJ-UHFFFAOYSA-N -1 3 242.189 0.728 20 0 BCADHM Cn1cnc([N-]C(=O)c2ccncc2F)n1 ZINC000562187546 412159160 /nfs/dbraw/zinc/15/91/60/412159160.db2.gz ZRPLHNRCVQLNMV-UHFFFAOYSA-N -1 3 221.195 0.602 20 0 BCADHM CC[C@H](O)CCNC(=O)c1c([O-])cccc1O ZINC000092125281 171559454 /nfs/dbraw/zinc/55/94/54/171559454.db2.gz WKOUUJXFEKCCFN-QMMMGPOBSA-N -1 3 239.271 0.989 20 0 BCADHM CN1CC=C(CNc2ncncc2C(=O)[O-])CC1 ZINC000392279731 412245262 /nfs/dbraw/zinc/24/52/62/412245262.db2.gz GKRGLFIUXRSKGP-UHFFFAOYSA-N -1 3 248.286 0.849 20 0 BCADHM CC(C)c1nnc([N-]C(=O)c2nc[nH]n2)s1 ZINC000331217848 412322564 /nfs/dbraw/zinc/32/25/64/412322564.db2.gz GSBSLHCGFDCURZ-UHFFFAOYSA-N -1 3 238.276 1.032 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNc1nc(C)ncc1C ZINC000580783533 412334250 /nfs/dbraw/zinc/33/42/50/412334250.db2.gz JHIUEHDYJREOKJ-SNVBAGLBSA-N -1 3 247.302 1.017 20 0 BCADHM O=C(Nc1n[nH]c2ccc(F)cc21)c1cnn[n-]1 ZINC000342968104 412343888 /nfs/dbraw/zinc/34/38/88/412343888.db2.gz XTFZNFMXRZIZQC-UHFFFAOYSA-N -1 3 246.205 1.072 20 0 BCADHM O=C(Nc1n[nH]c2ccc(F)cc21)c1c[n-]nn1 ZINC000342968104 412343890 /nfs/dbraw/zinc/34/38/90/412343890.db2.gz XTFZNFMXRZIZQC-UHFFFAOYSA-N -1 3 246.205 1.072 20 0 BCADHM O=C(Nc1n[nH]c2ccc(F)cc21)c1cn[n-]n1 ZINC000342968104 412343893 /nfs/dbraw/zinc/34/38/93/412343893.db2.gz XTFZNFMXRZIZQC-UHFFFAOYSA-N -1 3 246.205 1.072 20 0 BCADHM COC(=O)c1coc(C[N-]c2nnco2)c1 ZINC000336767240 412350036 /nfs/dbraw/zinc/35/00/36/412350036.db2.gz PODOWKXPFJBZQG-UHFFFAOYSA-N -1 3 223.188 1.061 20 0 BCADHM Cc1cc(C(=O)[N-]c2nc(C)n(C)n2)no1 ZINC000355805644 412304660 /nfs/dbraw/zinc/30/46/60/412304660.db2.gz CWILDXQSIWZDQI-UHFFFAOYSA-N -1 3 221.220 0.672 20 0 BCADHM CN(C)CCNC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663114663 412384809 /nfs/dbraw/zinc/38/48/09/412384809.db2.gz HXXPTEVDGWDGRK-LLVKDONJSA-N -1 3 228.292 0.165 20 0 BCADHM CCc1ncc([N-]S(=O)(=O)C2CC2)cn1 ZINC000273425429 172023141 /nfs/dbraw/zinc/02/31/41/172023141.db2.gz DZTJLSMXPJHRLI-UHFFFAOYSA-N -1 3 227.289 0.943 20 0 BCADHM CCc1noc(C)c1CNC(=O)c1c[n-]nn1 ZINC000293769256 172079942 /nfs/dbraw/zinc/07/99/42/172079942.db2.gz AADQHVHDJBXNHH-UHFFFAOYSA-N -1 3 235.247 0.594 20 0 BCADHM CCc1noc(C)c1CNC(=O)c1cnn[n-]1 ZINC000293769256 172079945 /nfs/dbraw/zinc/07/99/45/172079945.db2.gz AADQHVHDJBXNHH-UHFFFAOYSA-N -1 3 235.247 0.594 20 0 BCADHM CCc1noc(C)c1CNC(=O)c1cn[n-]n1 ZINC000293769256 172079948 /nfs/dbraw/zinc/07/99/48/172079948.db2.gz AADQHVHDJBXNHH-UHFFFAOYSA-N -1 3 235.247 0.594 20 0 BCADHM CCn1ccnc1C(=O)Nc1nnc(OC)[n-]1 ZINC000291490546 172218247 /nfs/dbraw/zinc/21/82/47/172218247.db2.gz BFEMESMZVYHZAM-UHFFFAOYSA-N -1 3 236.235 0.282 20 0 BCADHM CCn1ccnc1C(=O)Nc1n[n-]c(OC)n1 ZINC000291490546 172218250 /nfs/dbraw/zinc/21/82/50/172218250.db2.gz BFEMESMZVYHZAM-UHFFFAOYSA-N -1 3 236.235 0.282 20 0 BCADHM CCn1ccnc1C(=O)Nc1nc(OC)n[n-]1 ZINC000291490546 172218252 /nfs/dbraw/zinc/21/82/52/172218252.db2.gz BFEMESMZVYHZAM-UHFFFAOYSA-N -1 3 236.235 0.282 20 0 BCADHM CCn1cnnc1[N-]C(=O)C(=O)c1cccn1C ZINC000357959088 172235974 /nfs/dbraw/zinc/23/59/74/172235974.db2.gz KDRQTPRLFBURIC-UHFFFAOYSA-N -1 3 247.258 0.458 20 0 BCADHM CCn1cnnc1[N-]C(=O)C(C)(F)F ZINC000294698854 172238750 /nfs/dbraw/zinc/23/87/50/172238750.db2.gz NYBDMYSIZGOEIW-UHFFFAOYSA-N -1 3 204.180 0.892 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@@H](OC)C1CC1 ZINC000285656997 172238934 /nfs/dbraw/zinc/23/89/34/172238934.db2.gz FDHXUAQGXRCCIW-QMMMGPOBSA-N -1 3 224.264 0.662 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@](C)(O)C1CC1 ZINC000287735394 172239292 /nfs/dbraw/zinc/23/92/92/172239292.db2.gz LVNNYBSWAFTGQJ-SNVBAGLBSA-N -1 3 224.264 0.398 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H](OC)C(C)C ZINC000356182060 172239555 /nfs/dbraw/zinc/23/95/55/172239555.db2.gz UTYQZIOPOWBTCQ-MRVPVSSYSA-N -1 3 226.280 0.908 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H](O)c1ccccc1 ZINC000285600177 172239675 /nfs/dbraw/zinc/23/96/75/172239675.db2.gz BPTQQRGMPKCILS-SNVBAGLBSA-N -1 3 246.270 0.970 20 0 BCADHM CCn1nc(C)c(C[N-]c2nc(C)no2)n1 ZINC000295816865 172247676 /nfs/dbraw/zinc/24/76/76/172247676.db2.gz DCVVICXKFADYSV-UHFFFAOYSA-N -1 3 222.252 0.910 20 0 BCADHM CN(C)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000037207513 172368898 /nfs/dbraw/zinc/36/88/98/172368898.db2.gz YWKDDYLODGDXOB-UHFFFAOYSA-N -1 3 222.244 0.210 20 0 BCADHM CN1CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000111738672 173013837 /nfs/dbraw/zinc/01/38/37/173013837.db2.gz URAAWJPSAPCGEJ-UHFFFAOYSA-N -1 3 235.287 0.565 20 0 BCADHM CN1CCC[C@H]1C[N-]S(=O)(=O)c1ccco1 ZINC000276911782 173055327 /nfs/dbraw/zinc/05/53/27/173055327.db2.gz NQYYNFVRJLMILP-VIFPVBQESA-N -1 3 244.316 0.652 20 0 BCADHM CN1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000082304189 173073420 /nfs/dbraw/zinc/07/34/20/173073420.db2.gz WJKURZDANAIWTG-UHFFFAOYSA-N -1 3 221.260 0.175 20 0 BCADHM CN1CCO[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000081930976 173108058 /nfs/dbraw/zinc/10/80/58/173108058.db2.gz XYOQLZYBUAQKGM-VIFPVBQESA-N -1 3 237.259 0.056 20 0 BCADHM CN1C[C@H](NC(=O)c2cccc([O-])c2)CCC1=O ZINC000082282542 173194136 /nfs/dbraw/zinc/19/41/36/173194136.db2.gz IMDJIIFPWCFNIK-SNVBAGLBSA-N -1 3 248.282 0.743 20 0 BCADHM CN1C[C@H](NC(=O)c2ccccc2[O-])CC1=O ZINC000299702899 173194159 /nfs/dbraw/zinc/19/41/59/173194159.db2.gz YLEJKNMXMQHAIW-MRVPVSSYSA-N -1 3 234.255 0.353 20 0 BCADHM CNC(=O)C1CN(Cc2nc(C)ccc2[O-])C1 ZINC000297491244 173227818 /nfs/dbraw/zinc/22/78/18/173227818.db2.gz VCIJJOWCESQRSQ-UHFFFAOYSA-N -1 3 235.287 0.273 20 0 BCADHM CNC(=O)CCCC(=O)Nc1ncccc1[O-] ZINC000157640159 173236415 /nfs/dbraw/zinc/23/64/15/173236415.db2.gz BDJVUDCGNFMTBE-UHFFFAOYSA-N -1 3 237.259 0.642 20 0 BCADHM CNC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000078768491 173280273 /nfs/dbraw/zinc/28/02/73/173280273.db2.gz LUAQJUDQICZMKT-UHFFFAOYSA-N -1 3 249.299 0.705 20 0 BCADHM CNC(=O)NCC(=O)Nc1ccc([O-])cc1F ZINC000358162768 173290103 /nfs/dbraw/zinc/29/01/03/173290103.db2.gz PVJLVOWEWFYVPB-UHFFFAOYSA-N -1 3 241.222 0.399 20 0 BCADHM CNC(=O)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000042350843 173294582 /nfs/dbraw/zinc/29/45/82/173294582.db2.gz UAZCRSOKVBEQTR-SSDOTTSWSA-N -1 3 222.244 0.257 20 0 BCADHM CNC(=O)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000042573648 173294883 /nfs/dbraw/zinc/29/48/83/173294883.db2.gz CIKPSVKKSDFEDF-SSDOTTSWSA-N -1 3 222.244 0.257 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@H](C)C1CC1 ZINC000297755621 173314535 /nfs/dbraw/zinc/31/45/35/173314535.db2.gz ONVZKMSVDPIXND-RXMQYKEDSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@H](C)C1CC1 ZINC000297755621 173314536 /nfs/dbraw/zinc/31/45/36/173314536.db2.gz ONVZKMSVDPIXND-RXMQYKEDSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@H](C)C1CC1 ZINC000297755621 173314538 /nfs/dbraw/zinc/31/45/38/173314538.db2.gz ONVZKMSVDPIXND-RXMQYKEDSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)CC(C)C ZINC000297760204 173314865 /nfs/dbraw/zinc/31/48/65/173314865.db2.gz OWQXFNUVKZBHPS-UHFFFAOYSA-N -1 3 225.252 0.149 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)CC(C)C ZINC000297760204 173314866 /nfs/dbraw/zinc/31/48/66/173314866.db2.gz OWQXFNUVKZBHPS-UHFFFAOYSA-N -1 3 225.252 0.149 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)CC(C)C ZINC000297760204 173314867 /nfs/dbraw/zinc/31/48/67/173314867.db2.gz OWQXFNUVKZBHPS-UHFFFAOYSA-N -1 3 225.252 0.149 20 0 BCADHM COC1([C@@H](C)NC(=O)c2c[n-]nn2)CCC1 ZINC000332022713 174010231 /nfs/dbraw/zinc/01/02/31/174010231.db2.gz TWOOFEJIPOZEFD-SSDOTTSWSA-N -1 3 224.264 0.492 20 0 BCADHM COC1([C@@H](C)NC(=O)c2cnn[n-]2)CCC1 ZINC000332022713 174010233 /nfs/dbraw/zinc/01/02/33/174010233.db2.gz TWOOFEJIPOZEFD-SSDOTTSWSA-N -1 3 224.264 0.492 20 0 BCADHM COC1([C@@H](C)NC(=O)c2cn[n-]n2)CCC1 ZINC000332022713 174010234 /nfs/dbraw/zinc/01/02/34/174010234.db2.gz TWOOFEJIPOZEFD-SSDOTTSWSA-N -1 3 224.264 0.492 20 0 BCADHM COCC1(CCNC(=O)c2c[n-]nn2)CCC1 ZINC000293850569 174094161 /nfs/dbraw/zinc/09/41/61/174094161.db2.gz IPKCHUURYQRNSA-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM COCC1(CCNC(=O)c2cnn[n-]2)CCC1 ZINC000293850569 174094165 /nfs/dbraw/zinc/09/41/65/174094165.db2.gz IPKCHUURYQRNSA-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM COCC1(CCNC(=O)c2cn[n-]n2)CCC1 ZINC000293850569 174094167 /nfs/dbraw/zinc/09/41/67/174094167.db2.gz IPKCHUURYQRNSA-UHFFFAOYSA-N -1 3 238.291 0.741 20 0 BCADHM COCC1(O)CN(Cc2nc(C)ccc2[O-])C1 ZINC000297469235 174113700 /nfs/dbraw/zinc/11/37/00/174113700.db2.gz IQSKVOZFIJBCGE-UHFFFAOYSA-N -1 3 238.287 0.289 20 0 BCADHM COCCC(C)(C)CNC(=O)c1c[n-]nn1 ZINC000185680612 174143887 /nfs/dbraw/zinc/14/38/87/174143887.db2.gz UAZSXBJDTBMRMU-UHFFFAOYSA-N -1 3 226.280 0.597 20 0 BCADHM COCCC(C)(C)CNC(=O)c1cnn[n-]1 ZINC000185680612 174143888 /nfs/dbraw/zinc/14/38/88/174143888.db2.gz UAZSXBJDTBMRMU-UHFFFAOYSA-N -1 3 226.280 0.597 20 0 BCADHM COCCC(C)(C)CNC(=O)c1cn[n-]n1 ZINC000185680612 174143889 /nfs/dbraw/zinc/14/38/89/174143889.db2.gz UAZSXBJDTBMRMU-UHFFFAOYSA-N -1 3 226.280 0.597 20 0 BCADHM COCCCNC(=O)c1c([O-])cccc1O ZINC000125571237 174245249 /nfs/dbraw/zinc/24/52/49/174245249.db2.gz FPRQOBDKMBPBPM-UHFFFAOYSA-N -1 3 225.244 0.864 20 0 BCADHM COCCCO[N-]C(=O)CCc1ccnn1C ZINC000287667307 174255052 /nfs/dbraw/zinc/25/50/52/174255052.db2.gz DBDCWXKSHJKSOM-UHFFFAOYSA-N -1 3 241.291 0.437 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1CC12CCOCC2 ZINC000376368340 174256333 /nfs/dbraw/zinc/25/63/33/174256333.db2.gz SPMOGWIXVIOJIB-JTQLQIEISA-N -1 3 243.303 0.887 20 0 BCADHM COCCCONC(=O)c1ccc(O)cc1[O-] ZINC000288347055 174256592 /nfs/dbraw/zinc/25/65/92/174256592.db2.gz XXFFCXYTOTVQIX-UHFFFAOYSA-N -1 3 241.243 0.796 20 0 BCADHM COCCNC(=O)C[N-]c1nnc(C2CC2)o1 ZINC000278387195 174321121 /nfs/dbraw/zinc/32/11/21/174321121.db2.gz LZTRQYQEEPOOCZ-UHFFFAOYSA-N -1 3 240.263 0.122 20 0 BCADHM COc1ccc(C(=O)NCCC(N)=O)c([O-])c1 ZINC000036747602 175059217 /nfs/dbraw/zinc/05/92/17/175059217.db2.gz JEMMQSYNYCXKPL-UHFFFAOYSA-N -1 3 238.243 0.006 20 0 BCADHM COc1ccc(C(=O)NC[C@@H](C)O)c([O-])c1 ZINC000035108110 175060188 /nfs/dbraw/zinc/06/01/88/175060188.db2.gz PCGIBYUDJDIPIY-SSDOTTSWSA-N -1 3 225.244 0.511 20 0 BCADHM COc1ccc(C(=O)N[C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000298375814 175062671 /nfs/dbraw/zinc/06/26/71/175062671.db2.gz MITXSFMSXUCUIS-OCAPTIKFSA-N -1 3 237.255 0.654 20 0 BCADHM COc1ccc([O-])c(C(=O)NC[C@@H](C)CO)c1 ZINC000086626953 175156938 /nfs/dbraw/zinc/15/69/38/175156938.db2.gz HFLIVQNFDJMQEX-MRVPVSSYSA-N -1 3 239.271 0.759 20 0 BCADHM COc1ccc([O-])c(C(=O)NC[C@H](C)O)c1 ZINC000035205429 175157547 /nfs/dbraw/zinc/15/75/47/175157547.db2.gz JHBXYZWJLIMHKZ-ZETCQYMHSA-N -1 3 225.244 0.511 20 0 BCADHM COc1ccc([O-])c(C(=O)N[C@H](C)C(N)=O)c1 ZINC000052076813 175157950 /nfs/dbraw/zinc/15/79/50/175157950.db2.gz MWNQOVDAUFWCTO-ZCFIWIBFSA-N -1 3 238.243 0.004 20 0 BCADHM COc1cccc(C(=O)N2CCOCC2)c1[O-] ZINC000019836996 175243683 /nfs/dbraw/zinc/24/36/83/175243683.db2.gz OSSGMVAJWAXDJV-UHFFFAOYSA-N -1 3 237.255 0.873 20 0 BCADHM COc1nnc(NC(=O)[C@H]2CCCCO2)[n-]1 ZINC000129408531 175393405 /nfs/dbraw/zinc/39/34/05/175393405.db2.gz DCOBZHJVGBVKCG-ZCFIWIBFSA-N -1 3 226.236 0.321 20 0 BCADHM COc1nc(NC(=O)[C@H]2CCCCO2)n[n-]1 ZINC000129408531 175393406 /nfs/dbraw/zinc/39/34/06/175393406.db2.gz DCOBZHJVGBVKCG-ZCFIWIBFSA-N -1 3 226.236 0.321 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H]2CCCCO2)n1 ZINC000129408531 175393408 /nfs/dbraw/zinc/39/34/08/175393408.db2.gz DCOBZHJVGBVKCG-ZCFIWIBFSA-N -1 3 226.236 0.321 20 0 BCADHM COc1nnc(NC(=O)C2(O)CCCCC2)[n-]1 ZINC000183011267 175393635 /nfs/dbraw/zinc/39/36/35/175393635.db2.gz YIFKVAUKWYHMNP-UHFFFAOYSA-N -1 3 240.263 0.447 20 0 BCADHM COc1nc(NC(=O)C2(O)CCCCC2)n[n-]1 ZINC000183011267 175393637 /nfs/dbraw/zinc/39/36/37/175393637.db2.gz YIFKVAUKWYHMNP-UHFFFAOYSA-N -1 3 240.263 0.447 20 0 BCADHM COc1n[n-]c(NC(=O)C2(O)CCCCC2)n1 ZINC000183011267 175393639 /nfs/dbraw/zinc/39/36/39/175393639.db2.gz YIFKVAUKWYHMNP-UHFFFAOYSA-N -1 3 240.263 0.447 20 0 BCADHM COc1nnc(NC(=O)[C@H](C)C2CC2)[n-]1 ZINC000163838273 175393684 /nfs/dbraw/zinc/39/36/84/175393684.db2.gz FKNBIPCLKNXQNI-RXMQYKEDSA-N -1 3 210.237 0.798 20 0 BCADHM COc1nc(NC(=O)[C@H](C)C2CC2)n[n-]1 ZINC000163838273 175393685 /nfs/dbraw/zinc/39/36/85/175393685.db2.gz FKNBIPCLKNXQNI-RXMQYKEDSA-N -1 3 210.237 0.798 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](C)C2CC2)n1 ZINC000163838273 175393687 /nfs/dbraw/zinc/39/36/87/175393687.db2.gz FKNBIPCLKNXQNI-RXMQYKEDSA-N -1 3 210.237 0.798 20 0 BCADHM COc1nnc(NC(=O)CCSC)[n-]1 ZINC000129430032 175393827 /nfs/dbraw/zinc/39/38/27/175393827.db2.gz TVCBEVWVKTWYHI-UHFFFAOYSA-N -1 3 216.266 0.505 20 0 BCADHM COc1nc(NC(=O)CCSC)n[n-]1 ZINC000129430032 175393828 /nfs/dbraw/zinc/39/38/28/175393828.db2.gz TVCBEVWVKTWYHI-UHFFFAOYSA-N -1 3 216.266 0.505 20 0 BCADHM COc1n[n-]c(NC(=O)CCSC)n1 ZINC000129430032 175393829 /nfs/dbraw/zinc/39/38/29/175393829.db2.gz TVCBEVWVKTWYHI-UHFFFAOYSA-N -1 3 216.266 0.505 20 0 BCADHM COc1nnc(NC(=O)[C@H](C)c2cccnc2)[n-]1 ZINC000182991532 175393940 /nfs/dbraw/zinc/39/39/40/175393940.db2.gz GCYQLSCGOSFWDK-SSDOTTSWSA-N -1 3 247.258 0.951 20 0 BCADHM COc1nc(NC(=O)[C@H](C)c2cccnc2)n[n-]1 ZINC000182991532 175393942 /nfs/dbraw/zinc/39/39/42/175393942.db2.gz GCYQLSCGOSFWDK-SSDOTTSWSA-N -1 3 247.258 0.951 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](C)c2cccnc2)n1 ZINC000182991532 175393943 /nfs/dbraw/zinc/39/39/43/175393943.db2.gz GCYQLSCGOSFWDK-SSDOTTSWSA-N -1 3 247.258 0.951 20 0 BCADHM COc1nnc(NC(=O)C(C)(C)F)[n-]1 ZINC000272425459 175394172 /nfs/dbraw/zinc/39/41/72/175394172.db2.gz GZUIUFONBULUTK-UHFFFAOYSA-N -1 3 202.189 0.500 20 0 BCADHM COc1nc(NC(=O)C(C)(C)F)n[n-]1 ZINC000272425459 175394173 /nfs/dbraw/zinc/39/41/73/175394173.db2.gz GZUIUFONBULUTK-UHFFFAOYSA-N -1 3 202.189 0.500 20 0 BCADHM COc1n[n-]c(NC(=O)C(C)(C)F)n1 ZINC000272425459 175394175 /nfs/dbraw/zinc/39/41/75/175394175.db2.gz GZUIUFONBULUTK-UHFFFAOYSA-N -1 3 202.189 0.500 20 0 BCADHM COc1nc(NC(=O)C(C)(F)F)n[n-]1 ZINC000294641438 175394331 /nfs/dbraw/zinc/39/43/31/175394331.db2.gz RJJTWHHECXEQJL-UHFFFAOYSA-N -1 3 206.152 0.407 20 0 BCADHM COc1n[n-]c(NC(=O)C(C)(F)F)n1 ZINC000294641438 175394332 /nfs/dbraw/zinc/39/43/32/175394332.db2.gz RJJTWHHECXEQJL-UHFFFAOYSA-N -1 3 206.152 0.407 20 0 BCADHM COc1nnc(NC(=O)C(C)(F)F)[n-]1 ZINC000294641438 175394330 /nfs/dbraw/zinc/39/43/30/175394330.db2.gz RJJTWHHECXEQJL-UHFFFAOYSA-N -1 3 206.152 0.407 20 0 BCADHM COc1nnc(NC(=O)[C@]2(C)CCCOC2)[n-]1 ZINC000272779505 175394918 /nfs/dbraw/zinc/39/49/18/175394918.db2.gz RFHBBGGORQWSAB-SNVBAGLBSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nc(NC(=O)[C@]2(C)CCCOC2)n[n-]1 ZINC000272779505 175394919 /nfs/dbraw/zinc/39/49/19/175394919.db2.gz RFHBBGGORQWSAB-SNVBAGLBSA-N -1 3 240.263 0.569 20 0 BCADHM COc1n[n-]c(NC(=O)[C@]2(C)CCCOC2)n1 ZINC000272779505 175394921 /nfs/dbraw/zinc/39/49/21/175394921.db2.gz RFHBBGGORQWSAB-SNVBAGLBSA-N -1 3 240.263 0.569 20 0 BCADHM COc1nnc(NC(=O)c2ccncc2C)[n-]1 ZINC000301848478 175395387 /nfs/dbraw/zinc/39/53/87/175395387.db2.gz NGARAHSKFAPWHM-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nc(NC(=O)c2ccncc2C)n[n-]1 ZINC000301848478 175395388 /nfs/dbraw/zinc/39/53/88/175395388.db2.gz NGARAHSKFAPWHM-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccncc2C)n1 ZINC000301848478 175395389 /nfs/dbraw/zinc/39/53/89/175395389.db2.gz NGARAHSKFAPWHM-UHFFFAOYSA-N -1 3 233.231 0.769 20 0 BCADHM COc1nnc(NC(=O)c2ccncc2F)[n-]1 ZINC000129381604 175396220 /nfs/dbraw/zinc/39/62/20/175396220.db2.gz XLJSGZAPSQZFFN-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COc1nc(NC(=O)c2ccncc2F)n[n-]1 ZINC000129381604 175396222 /nfs/dbraw/zinc/39/62/22/175396222.db2.gz XLJSGZAPSQZFFN-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM COc1n[n-]c(NC(=O)c2ccncc2F)n1 ZINC000129381604 175396224 /nfs/dbraw/zinc/39/62/24/175396224.db2.gz XLJSGZAPSQZFFN-UHFFFAOYSA-N -1 3 237.194 0.600 20 0 BCADHM C[C@@H](O)CC[N-]S(=O)(=O)c1cccs1 ZINC000082996845 175960015 /nfs/dbraw/zinc/96/00/15/175960015.db2.gz LFRATHXYAUYSKT-SSDOTTSWSA-N -1 3 235.330 0.797 20 0 BCADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(N)=O ZINC000117113778 176010367 /nfs/dbraw/zinc/01/03/67/176010367.db2.gz UATVEQZKRZXODP-ZCFIWIBFSA-N -1 3 249.299 0.833 20 0 BCADHM C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cccc([O-])c1 ZINC000195174439 176184559 /nfs/dbraw/zinc/18/45/59/176184559.db2.gz SIXYUNDBLJIGRW-KCJUWKMLSA-N -1 3 248.282 0.647 20 0 BCADHM C[C@@H]1CCOCCN1Cc1n[n-]c(=O)s1 ZINC000367459356 176189088 /nfs/dbraw/zinc/18/90/88/176189088.db2.gz SOYSVRALFNOWBW-SSDOTTSWSA-N -1 3 229.305 0.855 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1nnn[n-]1 ZINC000346178846 176198782 /nfs/dbraw/zinc/19/87/82/176198782.db2.gz CKBRRTLGQMAMAI-RNFRBKRXSA-N -1 3 224.268 0.011 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1nn[n-]n1 ZINC000346178846 176198784 /nfs/dbraw/zinc/19/87/84/176198784.db2.gz CKBRRTLGQMAMAI-RNFRBKRXSA-N -1 3 224.268 0.011 20 0 BCADHM C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1n[nH]c(=O)[n-]1 ZINC000332602759 176311638 /nfs/dbraw/zinc/31/16/38/176311638.db2.gz BCZHAAPAZFSDNQ-GJMOJQLCSA-N -1 3 210.281 0.987 20 0 BCADHM C[C@@H]1[C@H](C)CN(Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000332602760 176312300 /nfs/dbraw/zinc/31/23/00/176312300.db2.gz BCZHAAPAZFSDNQ-PRJMDXOYSA-N -1 3 210.281 0.987 20 0 BCADHM C[C@@H]1COCC[C@@H]1CNC(=O)c1c[n-]nn1 ZINC000286499892 176338809 /nfs/dbraw/zinc/33/88/09/176338809.db2.gz ARIWCRFZOYOWBF-HTQZYQBOSA-N -1 3 224.264 0.207 20 0 BCADHM C[C@@H]1COCC[C@@H]1CNC(=O)c1cnn[n-]1 ZINC000286499892 176338811 /nfs/dbraw/zinc/33/88/11/176338811.db2.gz ARIWCRFZOYOWBF-HTQZYQBOSA-N -1 3 224.264 0.207 20 0 BCADHM C[C@@H]1COCC[C@@H]1CNC(=O)c1cn[n-]n1 ZINC000286499892 176338813 /nfs/dbraw/zinc/33/88/13/176338813.db2.gz ARIWCRFZOYOWBF-HTQZYQBOSA-N -1 3 224.264 0.207 20 0 BCADHM C[C@H]1CC(NC(=O)c2ccc3n[n-]nc3c2)=NO1 ZINC000270842673 177065027 /nfs/dbraw/zinc/06/50/27/177065027.db2.gz NJEZTALFODWUMW-LURJTMIESA-N -1 3 245.242 0.810 20 0 BCADHM C[C@H]1CCC[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC000328675971 177142772 /nfs/dbraw/zinc/14/27/72/177142772.db2.gz RGNZCDCJDIEEGB-JGVFFNPUSA-N -1 3 210.281 0.387 20 0 BCADHM C[C@H]1CCN(C(=O)C(=O)[N-]c2cnns2)C1 ZINC000277511325 177145401 /nfs/dbraw/zinc/14/54/01/177145401.db2.gz NWWQKIPMOYIYGE-LURJTMIESA-N -1 3 240.288 0.345 20 0 BCADHM C[C@@H]1[C@@H](C)CCN1Cc1nc(=O)n(C)[n-]1 ZINC000336447100 177167778 /nfs/dbraw/zinc/16/77/78/177167778.db2.gz OXHVOUVSWLZBGQ-JGVFFNPUSA-N -1 3 210.281 0.339 20 0 BCADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)CC(=O)N1C ZINC000282348540 177228024 /nfs/dbraw/zinc/22/80/24/177228024.db2.gz LQAUUEFPOBVQAB-VIFPVBQESA-N -1 3 248.282 0.695 20 0 BCADHM C[C@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000104190651 177244455 /nfs/dbraw/zinc/24/44/55/177244455.db2.gz YCYMSPSOJCCUIK-IUCAKERBSA-N -1 3 242.319 0.554 20 0 BCADHM C[C@H]1C[C@H](C(=O)NCc2ncccc2[O-])CO1 ZINC000331022167 177354290 /nfs/dbraw/zinc/35/42/90/177354290.db2.gz QABZQEUDWJJYHX-IUCAKERBSA-N -1 3 236.271 0.828 20 0 BCADHM C[C@H]1C[C@H](CNC(=O)c2c[n-]nn2)CCO1 ZINC000271447801 177362219 /nfs/dbraw/zinc/36/22/19/177362219.db2.gz YJTLTRNAGQGVKG-JGVFFNPUSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H]1C[C@H](CNC(=O)c2cnn[n-]2)CCO1 ZINC000271447801 177362221 /nfs/dbraw/zinc/36/22/21/177362221.db2.gz YJTLTRNAGQGVKG-JGVFFNPUSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H]1C[C@H](CNC(=O)c2cn[n-]n2)CCO1 ZINC000271447801 177362223 /nfs/dbraw/zinc/36/22/23/177362223.db2.gz YJTLTRNAGQGVKG-JGVFFNPUSA-N -1 3 224.264 0.350 20 0 BCADHM C[C@H]1NC(=O)N(Cc2ccc([O-])c(F)c2)C1=O ZINC000272096265 177394228 /nfs/dbraw/zinc/39/42/28/177394228.db2.gz GYYLWTDIJKYKSG-ZCFIWIBFSA-N -1 3 238.218 0.972 20 0 BCADHM COc1nc(NC(=O)[C@](C)(O)C2CCC2)n[n-]1 ZINC000486951609 225275734 /nfs/dbraw/zinc/27/57/34/225275734.db2.gz SKTJCQJTBLUJFN-SNVBAGLBSA-N -1 3 240.263 0.303 20 0 BCADHM COc1nnc(NC(=O)[C@](C)(O)C2CCC2)[n-]1 ZINC000486951609 225275738 /nfs/dbraw/zinc/27/57/38/225275738.db2.gz SKTJCQJTBLUJFN-SNVBAGLBSA-N -1 3 240.263 0.303 20 0 BCADHM COc1n[n-]c(NC(=O)[C@](C)(O)C2CCC2)n1 ZINC000486951609 225275742 /nfs/dbraw/zinc/27/57/42/225275742.db2.gz SKTJCQJTBLUJFN-SNVBAGLBSA-N -1 3 240.263 0.303 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@@](C)(O)C1CCC1 ZINC000487151672 225289203 /nfs/dbraw/zinc/28/92/03/225289203.db2.gz DJBSDXDNIZTQTE-JTQLQIEISA-N -1 3 224.264 0.305 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N1CC(CCO)C1 ZINC000492516323 226011008 /nfs/dbraw/zinc/01/10/08/226011008.db2.gz BCPUSEDBWXYSOA-OWOJBTEDSA-N -1 3 248.282 0.641 20 0 BCADHM COc1nnc(NC(=O)C=Cc2cnccn2)[n-]1 ZINC000492523660 226012270 /nfs/dbraw/zinc/01/22/70/226012270.db2.gz XKWIWOOKJAQCCW-NSCUHMNNSA-N -1 3 246.230 0.255 20 0 BCADHM COc1nc(NC(=O)C=Cc2cnccn2)n[n-]1 ZINC000492523660 226012273 /nfs/dbraw/zinc/01/22/73/226012273.db2.gz XKWIWOOKJAQCCW-NSCUHMNNSA-N -1 3 246.230 0.255 20 0 BCADHM COc1n[n-]c(NC(=O)C=Cc2cnccn2)n1 ZINC000492523660 226012276 /nfs/dbraw/zinc/01/22/76/226012276.db2.gz XKWIWOOKJAQCCW-NSCUHMNNSA-N -1 3 246.230 0.255 20 0 BCADHM Cn1nccc1/C=C\C(=O)[N-]O[C@@H]1CCOC1 ZINC000492537039 226014877 /nfs/dbraw/zinc/01/48/77/226014877.db2.gz NSFQVFFPJRKIJW-MXQLGCADSA-N -1 3 237.259 0.270 20 0 BCADHM CO[N-]C(=O)/C=C/c1ccc(OC)cn1 ZINC000492547195 226016356 /nfs/dbraw/zinc/01/63/56/226016356.db2.gz MAMNWOXDRVYQAY-GQCTYLIASA-N -1 3 208.217 0.781 20 0 BCADHM O=C(/C=C\c1cccnc1)[N-]O[C@@H]1CCOC1 ZINC000492499139 226008510 /nfs/dbraw/zinc/00/85/10/226008510.db2.gz FVIAFUOSDSLQIF-DLRQAJBASA-N -1 3 234.255 0.932 20 0 BCADHM O=C(/C=C\c1ccc2c(c1)CCO2)[N-]OCCO ZINC000492685995 226038069 /nfs/dbraw/zinc/03/80/69/226038069.db2.gz ZAELEWCEISNZMS-RQOWECAXSA-N -1 3 249.266 0.675 20 0 BCADHM O=C(/C=C/c1ccncn1)[N-]O[C@H]1CCOC1 ZINC000492973692 226094687 /nfs/dbraw/zinc/09/46/87/226094687.db2.gz OPFGMICLYKJZQD-YOLVWIGZSA-N -1 3 235.243 0.327 20 0 BCADHM O=C(/C=C\c1cccnc1)[N-]OCCCO ZINC000492974395 226095876 /nfs/dbraw/zinc/09/58/76/226095876.db2.gz QYWHHLYAVZJUIK-PLNGDYQASA-N -1 3 222.244 0.525 20 0 BCADHM COCCCO[N-]C(=O)/C=C\c1ccncn1 ZINC000493082912 226120566 /nfs/dbraw/zinc/12/05/66/226120566.db2.gz IWMHHFYGNIYCFG-ARJAWSKDSA-N -1 3 237.259 0.574 20 0 BCADHM O=C(/C=C/c1ncc[nH]1)[N-]OCC1CC1 ZINC000493120039 226132595 /nfs/dbraw/zinc/13/25/95/226132595.db2.gz PXRNPNHQYRYQKY-ONEGZZNKSA-N -1 3 207.233 0.881 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N[C@@H]1CC[C@H]1O ZINC000493391251 226202290 /nfs/dbraw/zinc/20/22/90/226202290.db2.gz TZIWVNYIPIXFQY-HOXXMDGGSA-N -1 3 234.255 0.440 20 0 BCADHM Cc1c(/C=C\C(=O)[N-]OCCCO)cnn1C ZINC000493418356 226210221 /nfs/dbraw/zinc/21/02/21/226210221.db2.gz KWCONVDRAHVKTG-PLNGDYQASA-N -1 3 239.275 0.172 20 0 BCADHM C[C@@]1(O)C[C@H](NC(=O)/C=C/c2cncc([O-])c2)C1 ZINC000493569597 226243880 /nfs/dbraw/zinc/24/38/80/226243880.db2.gz UTZMJMFXLKRQEW-SSOZJZKGSA-N -1 3 248.282 0.830 20 0 BCADHM O=C(/C=C/c1cncs1)[N-]O[C@@H]1CCOC1 ZINC000493756810 226252798 /nfs/dbraw/zinc/25/27/98/226252798.db2.gz PTQMYEJQMYUWCB-FHKCNRDCSA-N -1 3 240.284 0.993 20 0 BCADHM Cn1ccc(/C=C/C(=O)[N-]O[C@@H]2CCOC2)c1 ZINC000493842977 226256763 /nfs/dbraw/zinc/25/67/63/226256763.db2.gz IOXGHNGMIUATJM-KXMPLOMGSA-N -1 3 236.271 0.875 20 0 BCADHM CCCCN1CCOC[C@H]1CC(=O)[O-] ZINC000087507348 487665710 /nfs/dbraw/zinc/66/57/10/487665710.db2.gz JHKLHXRXJDWRGG-SECBINFHSA-N -1 3 201.266 0.962 20 0 BCADHM O=C(/C=C/c1cncc([O-])c1)N(CCO)C1CC1 ZINC000305886453 229385586 /nfs/dbraw/zinc/38/55/86/229385586.db2.gz YHYYRUHFGZFOTN-DAFODLJHSA-N -1 3 248.282 0.784 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000120752739 490068827 /nfs/dbraw/zinc/06/88/27/490068827.db2.gz VFSTVTIBSYVCIN-WDSKDSINSA-N -1 3 242.304 0.484 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000120752739 490068829 /nfs/dbraw/zinc/06/88/29/490068829.db2.gz VFSTVTIBSYVCIN-WDSKDSINSA-N -1 3 242.304 0.484 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000120752739 490068835 /nfs/dbraw/zinc/06/88/35/490068835.db2.gz VFSTVTIBSYVCIN-WDSKDSINSA-N -1 3 242.304 0.484 20 0 BCADHM CCn1cnc(S(=O)(=O)[N-]C2CC=CC2)c1 ZINC000675331483 487708764 /nfs/dbraw/zinc/70/87/64/487708764.db2.gz QPVJWSJTZIAPDU-UHFFFAOYSA-N -1 3 241.316 0.900 20 0 BCADHM O=C(Cc1cncc([O-])c1)Nc1cc[nH]n1 ZINC000582054310 487722186 /nfs/dbraw/zinc/72/21/86/487722186.db2.gz OOXAJJLDPLACAN-UHFFFAOYSA-N -1 3 218.216 0.692 20 0 BCADHM CSc1nnc(NC(=O)c2n[nH]cc2C)[n-]1 ZINC000669599199 487731808 /nfs/dbraw/zinc/73/18/08/487731808.db2.gz CMDUBYDUFCPTSA-UHFFFAOYSA-N -1 3 238.276 0.810 20 0 BCADHM CSc1n[n-]c(NC(=O)c2n[nH]cc2C)n1 ZINC000669599199 487731809 /nfs/dbraw/zinc/73/18/09/487731809.db2.gz CMDUBYDUFCPTSA-UHFFFAOYSA-N -1 3 238.276 0.810 20 0 BCADHM CSc1nc(NC(=O)c2n[nH]cc2C)n[n-]1 ZINC000669599199 487731815 /nfs/dbraw/zinc/73/18/15/487731815.db2.gz CMDUBYDUFCPTSA-UHFFFAOYSA-N -1 3 238.276 0.810 20 0 BCADHM COC[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000681125085 487734816 /nfs/dbraw/zinc/73/48/16/487734816.db2.gz FXGYBGNLRSUQSB-YFKPBYRVSA-N -1 3 216.262 0.613 20 0 BCADHM CN(C)CCNc1ccnc(C(=O)[O-])c1 ZINC000036896340 487742991 /nfs/dbraw/zinc/74/29/91/487742991.db2.gz JSLIVDOBKVSFKX-UHFFFAOYSA-N -1 3 209.249 0.753 20 0 BCADHM COCCCO[N-]C(=O)C1=CCOCC1 ZINC000805040997 585257541 /nfs/dbraw/zinc/25/75/41/585257541.db2.gz JCICBSDSEBGAON-UHFFFAOYSA-N -1 3 215.249 0.417 20 0 BCADHM COCCCO[N-]C(=O)CN(C)C(C)C ZINC000805045100 585265781 /nfs/dbraw/zinc/26/57/81/585265781.db2.gz MHTHSHKOVBRHCN-UHFFFAOYSA-N -1 3 218.297 0.411 20 0 BCADHM CCCNC(=O)CCC(=O)[N-]OCCSC ZINC000794194741 586035002 /nfs/dbraw/zinc/03/50/02/586035002.db2.gz WADSJZBYPULJNU-UHFFFAOYSA-N -1 3 248.348 0.704 20 0 BCADHM CCS(=O)(=O)C[C@@H](C)N[C@@H](C)CC(=O)[O-] ZINC000820391914 587045485 /nfs/dbraw/zinc/04/54/85/587045485.db2.gz QEFRLAPQPHPBFO-JGVFFNPUSA-N -1 3 237.321 0.262 20 0 BCADHM CCO[N-]C(=O)CCOCCCOC ZINC000820517281 587052286 /nfs/dbraw/zinc/05/22/86/587052286.db2.gz CZEPPGZDFGIADI-UHFFFAOYSA-N -1 3 205.254 0.497 20 0 BCADHM COC[C@@H](C)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000828897226 587469754 /nfs/dbraw/zinc/46/97/54/587469754.db2.gz PVFYMBBOZRJGRO-RKDXNWHRSA-N -1 3 216.281 0.705 20 0 BCADHM CSCCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000832766794 587686678 /nfs/dbraw/zinc/68/66/78/587686678.db2.gz OXYHXTHNLGUVMD-QMMMGPOBSA-N -1 3 207.270 0.848 20 0 BCADHM CCCO[N-]C(=O)CCc1cnn(C)n1 ZINC000844090430 588166722 /nfs/dbraw/zinc/16/67/22/588166722.db2.gz QUYASAXGKOOLGJ-UHFFFAOYSA-N -1 3 212.253 0.206 20 0 BCADHM CC[C@@H](C)COC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845373110 588228528 /nfs/dbraw/zinc/22/85/28/588228528.db2.gz NAEYCEBQPFCYHP-HTQZYQBOSA-N -1 3 235.305 0.267 20 0 BCADHM CCOCCS(=O)(=O)[N-]Cc1cc(C)on1 ZINC000558689552 322953669 /nfs/dbraw/zinc/95/36/69/322953669.db2.gz BEIGPKROAAMYEH-UHFFFAOYSA-N -1 3 248.304 0.439 20 0 BCADHM Cc1cc(C[N-]S(=O)(=O)c2ccco2)n[nH]1 ZINC000682082234 487905765 /nfs/dbraw/zinc/90/57/65/487905765.db2.gz WNKFPMNBIVRTNN-UHFFFAOYSA-N -1 3 241.272 0.790 20 0 BCADHM C[C@@H]1CN(C)CCN1c1nc2nncc-2c(O)[n-]1 ZINC000682392177 487945332 /nfs/dbraw/zinc/94/53/32/487945332.db2.gz BQZROBWQSKZCOK-SSDOTTSWSA-N -1 3 248.290 0.199 20 0 BCADHM O=C1CCN(Cc2ncccc2[O-])CCN1 ZINC000561949785 323009083 /nfs/dbraw/zinc/00/90/83/323009083.db2.gz HMPVRROTQIEUML-UHFFFAOYSA-N -1 3 221.260 0.109 20 0 BCADHM CCc1nc(C(=O)[N-]c2ncn(C)n2)c(C)o1 ZINC000562186380 323013034 /nfs/dbraw/zinc/01/30/34/323013034.db2.gz KRDDTQZZOVDAGH-UHFFFAOYSA-N -1 3 235.247 0.926 20 0 BCADHM COCCO[N-]C(=O)/C=C/c1cccnc1 ZINC000135139041 323027114 /nfs/dbraw/zinc/02/71/14/323027114.db2.gz VSUBODBPKARRIY-SNAWJCMRSA-N -1 3 222.244 0.789 20 0 BCADHM c1[n-][nH]c2ncnc(=N[C@H]3CC34CCOCC4)c1-2 ZINC000562700204 323027764 /nfs/dbraw/zinc/02/77/64/323027764.db2.gz JOGJVKHSAYZFIY-VIFPVBQESA-N -1 3 245.286 0.707 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)C[C@@H]1C[C@@H]1C ZINC000562698333 323028229 /nfs/dbraw/zinc/02/82/29/323028229.db2.gz FQPXYFRHRQSMOR-WDSKDSINSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)C[C@@H]1C[C@@H]1C ZINC000562698333 323028230 /nfs/dbraw/zinc/02/82/30/323028230.db2.gz FQPXYFRHRQSMOR-WDSKDSINSA-N -1 3 237.263 0.149 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)C[C@@H]1C[C@@H]1C ZINC000562698333 323028231 /nfs/dbraw/zinc/02/82/31/323028231.db2.gz FQPXYFRHRQSMOR-WDSKDSINSA-N -1 3 237.263 0.149 20 0 BCADHM O[C@@H](CN=c1ncnc2[nH][n-]cc1-2)C1CCC1 ZINC000562704320 323028355 /nfs/dbraw/zinc/02/83/55/323028355.db2.gz QCGHCTHDWPRXHQ-VIFPVBQESA-N -1 3 233.275 0.299 20 0 BCADHM Cc1cc(CNC(=O)Cc2cncc([O-])c2)no1 ZINC000570463114 323060171 /nfs/dbraw/zinc/06/01/71/323060171.db2.gz REGUUVNIDLTYNB-UHFFFAOYSA-N -1 3 247.254 0.943 20 0 BCADHM O=C(Nc1cn[nH]c1)c1cccc2nn[n-]c21 ZINC000163506097 323069088 /nfs/dbraw/zinc/06/90/88/323069088.db2.gz WIABKXLKVVWCRF-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1cn[nH]c1)c1cccc2[n-]nnc21 ZINC000163506097 323069089 /nfs/dbraw/zinc/06/90/89/323069089.db2.gz WIABKXLKVVWCRF-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM O=C(Nc1cn[nH]c1)c1cccc2n[n-]nc21 ZINC000163506097 323069090 /nfs/dbraw/zinc/06/90/90/323069090.db2.gz WIABKXLKVVWCRF-UHFFFAOYSA-N -1 3 228.215 0.933 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000531432454 323089472 /nfs/dbraw/zinc/08/94/72/323089472.db2.gz OODQXTNOPYQMHW-MXWKQRLJSA-N -1 3 249.314 0.661 20 0 BCADHM O=C(Cc1cncc([O-])c1)N1CCC[C@H](O)C1 ZINC000571059762 323106341 /nfs/dbraw/zinc/10/63/41/323106341.db2.gz DRZWODSYDANIDD-JTQLQIEISA-N -1 3 236.271 0.313 20 0 BCADHM Cc1ccnc(NC(=O)c2cnn[n-]2)c1 ZINC000048936450 323112296 /nfs/dbraw/zinc/11/22/96/323112296.db2.gz OGPLNRFXMWMSAY-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1ccnc(NC(=O)c2c[n-]nn2)c1 ZINC000048936450 323112297 /nfs/dbraw/zinc/11/22/97/323112297.db2.gz OGPLNRFXMWMSAY-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM Cc1ccnc(NC(=O)c2cn[n-]n2)c1 ZINC000048936450 323112298 /nfs/dbraw/zinc/11/22/98/323112298.db2.gz OGPLNRFXMWMSAY-UHFFFAOYSA-N -1 3 203.205 0.760 20 0 BCADHM O=C(NCc1cccc2c1OCO2)c1c[n-]nn1 ZINC000048942249 323156323 /nfs/dbraw/zinc/15/63/23/323156323.db2.gz NYACAHUORYMVQP-UHFFFAOYSA-N -1 3 246.226 0.463 20 0 BCADHM O=C(NCc1cccc2c1OCO2)c1cnn[n-]1 ZINC000048942249 323156324 /nfs/dbraw/zinc/15/63/24/323156324.db2.gz NYACAHUORYMVQP-UHFFFAOYSA-N -1 3 246.226 0.463 20 0 BCADHM O=C(NCc1cccc2c1OCO2)c1cn[n-]n1 ZINC000048942249 323156325 /nfs/dbraw/zinc/15/63/25/323156325.db2.gz NYACAHUORYMVQP-UHFFFAOYSA-N -1 3 246.226 0.463 20 0 BCADHM C[C@@H](CCCO)NC(=O)c1cccc2nn[n-]c21 ZINC000541891682 323161651 /nfs/dbraw/zinc/16/16/51/323161651.db2.gz AABYNSPJSKLOMY-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM C[C@@H](CCCO)NC(=O)c1cccc2[n-]nnc21 ZINC000541891682 323161652 /nfs/dbraw/zinc/16/16/52/323161652.db2.gz AABYNSPJSKLOMY-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM C[C@@H](CCCO)NC(=O)c1cccc2n[n-]nc21 ZINC000541891682 323161653 /nfs/dbraw/zinc/16/16/53/323161653.db2.gz AABYNSPJSKLOMY-QMMMGPOBSA-N -1 3 248.286 0.849 20 0 BCADHM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1N ZINC000563730645 323176373 /nfs/dbraw/zinc/17/63/73/323176373.db2.gz IRLBIXZIPPIZNW-PRJMDXOYSA-N -1 3 214.265 0.045 20 0 BCADHM CCC[C@H](C(=O)[O-])N1C[C@@H](C)O[C@H](COC)C1 ZINC000563816204 323179060 /nfs/dbraw/zinc/17/90/60/323179060.db2.gz APJRCBDZZLVBLG-OUAUKWLOSA-N -1 3 245.319 0.975 20 0 BCADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1c[n-]nn1 ZINC000395120046 323187798 /nfs/dbraw/zinc/18/77/98/323187798.db2.gz TVGFGWLXKWRWQV-HTQZYQBOSA-N -1 3 208.265 0.969 20 0 BCADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cnn[n-]1 ZINC000395120046 323187799 /nfs/dbraw/zinc/18/77/99/323187799.db2.gz TVGFGWLXKWRWQV-HTQZYQBOSA-N -1 3 208.265 0.969 20 0 BCADHM O=C(NCC12CC(C1)CO2)c1csc(=O)[n-]1 ZINC000529871043 323193237 /nfs/dbraw/zinc/19/32/37/323193237.db2.gz KOOXBJSRMVGVCU-UHFFFAOYSA-N -1 3 240.284 0.758 20 0 BCADHM CCn1nc(C)cc1NC(=O)c1cc(=O)[n-]cn1 ZINC000530129710 323202684 /nfs/dbraw/zinc/20/26/84/323202684.db2.gz LFGATZQDCZEXKB-UHFFFAOYSA-N -1 3 247.258 0.959 20 0 BCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)C1=CCCC1 ZINC000532122864 323206298 /nfs/dbraw/zinc/20/62/98/323206298.db2.gz GZROPMGPAAUGDJ-JTQLQIEISA-N -1 3 235.287 0.725 20 0 BCADHM CCN(CC)CC(=O)NC1(C(=O)[O-])CCCC1 ZINC000532668927 323289183 /nfs/dbraw/zinc/28/91/83/323289183.db2.gz SQRQAEVAXIOZFK-UHFFFAOYSA-N -1 3 242.319 0.842 20 0 BCADHM C[C@@H]1C[C@@H](NC(=O)c2csc(=O)[n-]2)CO1 ZINC000572042450 323524605 /nfs/dbraw/zinc/52/46/05/323524605.db2.gz NPWKREYTRUPVCU-PHDIDXHHSA-N -1 3 228.273 0.756 20 0 BCADHM CC[C@@H]1OCC[C@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000572342645 323602937 /nfs/dbraw/zinc/60/29/37/323602937.db2.gz FPLJYXYSNOJBLU-BDAKNGLRSA-N -1 3 233.275 0.706 20 0 BCADHM Cn1ccc(NC(=O)[N-]c2cnns2)n1 ZINC000192353423 324197200 /nfs/dbraw/zinc/19/72/00/324197200.db2.gz IQPGBCCUJYQMED-UHFFFAOYSA-N -1 3 224.249 0.916 20 0 BCADHM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1c[n-]nn1 ZINC000529785106 324397231 /nfs/dbraw/zinc/39/72/31/324397231.db2.gz PNHIZHUXXRKXGS-QUBYGPBYSA-N -1 3 222.248 0.102 20 0 BCADHM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cnn[n-]1 ZINC000529785106 324397237 /nfs/dbraw/zinc/39/72/37/324397237.db2.gz PNHIZHUXXRKXGS-QUBYGPBYSA-N -1 3 222.248 0.102 20 0 BCADHM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cn[n-]n1 ZINC000529785106 324397241 /nfs/dbraw/zinc/39/72/41/324397241.db2.gz PNHIZHUXXRKXGS-QUBYGPBYSA-N -1 3 222.248 0.102 20 0 BCADHM COC[C@@H]1CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000529924915 324434244 /nfs/dbraw/zinc/43/42/44/324434244.db2.gz NZURVSKWPLTBAB-QMMMGPOBSA-N -1 3 237.259 0.433 20 0 BCADHM COc1ccc([O-])c(C(=O)NCC2COC2)c1 ZINC000530113802 324475657 /nfs/dbraw/zinc/47/56/57/324475657.db2.gz QUAJTKQODFQSLV-UHFFFAOYSA-N -1 3 237.255 0.777 20 0 BCADHM CN(C)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000530141478 324493482 /nfs/dbraw/zinc/49/34/82/324493482.db2.gz XPXUELAIYOXBQF-UHFFFAOYSA-N -1 3 243.307 0.149 20 0 BCADHM CCc1cccc(C(=O)N[C@H]2CNC(=O)C2)c1[O-] ZINC000541710160 324974265 /nfs/dbraw/zinc/97/42/65/324974265.db2.gz VNVCQFCSSPZDII-SECBINFHSA-N -1 3 248.282 0.573 20 0 BCADHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000069948928 324986999 /nfs/dbraw/zinc/98/69/99/324986999.db2.gz DVNDXNSEYRXGLQ-HTQZYQBOSA-N -1 3 245.304 0.256 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1ccoc1 ZINC000131211068 325126094 /nfs/dbraw/zinc/12/60/94/325126094.db2.gz PTUWBIDPWOPTHT-UHFFFAOYSA-N -1 3 249.226 0.970 20 0 BCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc[nH]1 ZINC000131281898 325134342 /nfs/dbraw/zinc/13/43/42/325134342.db2.gz STHCXAUYODDFCP-UHFFFAOYSA-N -1 3 234.215 0.777 20 0 BCADHM Cc1ccc(NC(=O)c2c[n-]nn2)c(=O)[nH]1 ZINC000546046913 325262637 /nfs/dbraw/zinc/26/26/37/325262637.db2.gz DOBIVJCQDAJMKL-UHFFFAOYSA-N -1 3 219.204 0.466 20 0 BCADHM Cc1ccc(NC(=O)c2cnn[n-]2)c(=O)[nH]1 ZINC000546046913 325262641 /nfs/dbraw/zinc/26/26/41/325262641.db2.gz DOBIVJCQDAJMKL-UHFFFAOYSA-N -1 3 219.204 0.466 20 0 BCADHM Cc1ccc(NC(=O)c2cn[n-]n2)c(=O)[nH]1 ZINC000546046913 325262644 /nfs/dbraw/zinc/26/26/44/325262644.db2.gz DOBIVJCQDAJMKL-UHFFFAOYSA-N -1 3 219.204 0.466 20 0 BCADHM CO[C@@H]1CN(Cc2ncccc2[O-])C[C@@H]1OC ZINC000564305372 325294142 /nfs/dbraw/zinc/29/41/42/325294142.db2.gz TZDAHUJWYKZPNH-TXEJJXNPSA-N -1 3 238.287 0.633 20 0 BCADHM CN(C)CCN(CC(=O)[O-])C(=O)CCC1CC1 ZINC000237117446 325345327 /nfs/dbraw/zinc/34/53/27/325345327.db2.gz SDYDUJOUUAQMFP-UHFFFAOYSA-N -1 3 242.319 0.651 20 0 BCADHM Cn1cncc1CC(=O)Nc1ncccc1[O-] ZINC000547539938 325371680 /nfs/dbraw/zinc/37/16/80/325371680.db2.gz SLPKTZXNTFZYBN-UHFFFAOYSA-N -1 3 232.243 0.702 20 0 BCADHM CS(=O)(=O)[N-]c1cnccc1-n1cccn1 ZINC000548147076 325435462 /nfs/dbraw/zinc/43/54/62/325435462.db2.gz UXUSKPHHQBCBBM-UHFFFAOYSA-N -1 3 238.272 0.639 20 0 BCADHM O=C(Nc1ncccc1[O-])c1cc[nH]c(=O)c1 ZINC000136080224 325440730 /nfs/dbraw/zinc/44/07/30/325440730.db2.gz RYHKEWNXDNWTDG-UHFFFAOYSA-N -1 3 231.211 0.728 20 0 BCADHM CNC(=O)CC(=O)Nc1cccc([O-])c1F ZINC000548463070 325460269 /nfs/dbraw/zinc/46/02/69/325460269.db2.gz ZYYWGELMXVYJBZ-UHFFFAOYSA-N -1 3 226.207 0.606 20 0 BCADHM CCN(CCOC)C(=O)Cc1cncc([O-])c1 ZINC000567123554 326119957 /nfs/dbraw/zinc/11/99/57/326119957.db2.gz LVSQFHJWTQGPEP-UHFFFAOYSA-N -1 3 238.287 0.825 20 0 BCADHM COC1CN(C(=O)c2cccc3[n-]nnc32)C1 ZINC000567565924 326218139 /nfs/dbraw/zinc/21/81/39/326218139.db2.gz PKJIZHSDMQXEHP-UHFFFAOYSA-N -1 3 232.243 0.429 20 0 BCADHM COC1CN(C(=O)c2cccc3nn[n-]c32)C1 ZINC000567565924 326218140 /nfs/dbraw/zinc/21/81/40/326218140.db2.gz PKJIZHSDMQXEHP-UHFFFAOYSA-N -1 3 232.243 0.429 20 0 BCADHM COC1CN(C(=O)c2cccc3n[n-]nc32)C1 ZINC000567565924 326218142 /nfs/dbraw/zinc/21/81/42/326218142.db2.gz PKJIZHSDMQXEHP-UHFFFAOYSA-N -1 3 232.243 0.429 20 0 BCADHM NC(=O)C1([N-]S(=O)(=O)c2cccs2)CC1 ZINC000156665636 326239269 /nfs/dbraw/zinc/23/92/69/326239269.db2.gz ZUYJMARJNRCRIZ-UHFFFAOYSA-N -1 3 246.313 0.044 20 0 BCADHM N=c1nc(N2CCC=C(F)C2)nc2[nH][n-]cc1-2 ZINC000567817246 326262461 /nfs/dbraw/zinc/26/24/61/326262461.db2.gz MYFFSHIHZAZRTB-UHFFFAOYSA-N -1 3 234.238 0.781 20 0 BCADHM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@H]1CCCN1C ZINC000567987389 326291855 /nfs/dbraw/zinc/29/18/55/326291855.db2.gz BHVBPOQNJOSQFB-NXEZZACHSA-N -1 3 242.319 0.554 20 0 BCADHM COC[C@H](C)CNC(=O)Cc1cncc([O-])c1 ZINC000568232597 326330498 /nfs/dbraw/zinc/33/04/98/326330498.db2.gz WLJQTECXXMBVAS-SECBINFHSA-N -1 3 238.287 0.728 20 0 BCADHM Cn1c(=O)cccc1C(=O)Nc1ncccc1[O-] ZINC000159153910 326351068 /nfs/dbraw/zinc/35/10/68/326351068.db2.gz MUTLZCZPFDKJRJ-UHFFFAOYSA-N -1 3 245.238 0.738 20 0 BCADHM CC[C@@H](NC(=O)c1cccc2nn[n-]c21)[C@@H](C)O ZINC000568724779 326373669 /nfs/dbraw/zinc/37/36/69/326373669.db2.gz FOBVOQPOADIOJB-VXNVDRBHSA-N -1 3 248.286 0.847 20 0 BCADHM CC[C@@H](NC(=O)c1cccc2[n-]nnc21)[C@@H](C)O ZINC000568724779 326373671 /nfs/dbraw/zinc/37/36/71/326373671.db2.gz FOBVOQPOADIOJB-VXNVDRBHSA-N -1 3 248.286 0.847 20 0 BCADHM CC[C@@H](NC(=O)c1cccc2n[n-]nc21)[C@@H](C)O ZINC000568724779 326373673 /nfs/dbraw/zinc/37/36/73/326373673.db2.gz FOBVOQPOADIOJB-VXNVDRBHSA-N -1 3 248.286 0.847 20 0 BCADHM O=C([N-]c1nncn1C1CC1)c1cnco1 ZINC000671868600 487972650 /nfs/dbraw/zinc/97/26/50/487972650.db2.gz OHYKTIOTZRXCQI-UHFFFAOYSA-N -1 3 219.204 0.853 20 0 BCADHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)CO1 ZINC000396570338 487983937 /nfs/dbraw/zinc/98/39/37/487983937.db2.gz DREYSCGUHWMFSE-SSDOTTSWSA-N -1 3 245.304 0.256 20 0 BCADHM CC(=O)N1CCN([C@H](C(=O)[O-])C2CC2)CC1 ZINC000084092792 488002560 /nfs/dbraw/zinc/00/25/60/488002560.db2.gz BYLRSDQIFWBNEC-JTQLQIEISA-N -1 3 226.276 0.014 20 0 BCADHM CO[C@@H](C)CS(=O)(=O)[N-]Cc1cocn1 ZINC000669626939 488004623 /nfs/dbraw/zinc/00/46/23/488004623.db2.gz PSQFGLBMNYCIIQ-ZETCQYMHSA-N -1 3 234.277 0.129 20 0 BCADHM COc1nnc([N-]C(=O)c2cnccn2)s1 ZINC000682680155 488014255 /nfs/dbraw/zinc/01/42/55/488014255.db2.gz CZFAGHQBSXFUKV-UHFFFAOYSA-N -1 3 237.244 0.589 20 0 BCADHM CO[C@@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC000682689421 488017962 /nfs/dbraw/zinc/01/79/62/488017962.db2.gz CJKQPNYXLYJMTG-NSHDSACASA-N -1 3 237.255 0.837 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](N)C(C)C ZINC000044624881 488028964 /nfs/dbraw/zinc/02/89/64/488028964.db2.gz ZCZYBFMYZGIEFW-YUMQZZPRSA-N -1 3 216.281 0.291 20 0 BCADHM CCC[C@](C)(N)C(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000044625423 488029354 /nfs/dbraw/zinc/02/93/54/488029354.db2.gz VRSQDDOIWMEDSZ-KWQFWETISA-N -1 3 230.308 0.826 20 0 BCADHM O=C([N-]c1nnc2ccccn21)c1cnco1 ZINC000677520368 488063339 /nfs/dbraw/zinc/06/33/39/488063339.db2.gz ZDGRXXLNVSPPEN-UHFFFAOYSA-N -1 3 229.199 0.970 20 0 BCADHM C[C@@H]1C[C@@H]1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000673546150 488073295 /nfs/dbraw/zinc/07/32/95/488073295.db2.gz ORFSMTJMPSTLJH-APPZFPTMSA-N -1 3 223.276 0.415 20 0 BCADHM CN(C)CCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000166809875 488109799 /nfs/dbraw/zinc/10/97/99/488109799.db2.gz IAKPSOPJGVVSQX-QMMMGPOBSA-N -1 3 230.308 0.411 20 0 BCADHM CC(C)(O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000683178817 488123158 /nfs/dbraw/zinc/12/31/58/488123158.db2.gz MDBPCAMYASZYNG-UHFFFAOYSA-N -1 3 247.258 0.576 20 0 BCADHM CC(C)(O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000683178817 488123162 /nfs/dbraw/zinc/12/31/62/488123162.db2.gz MDBPCAMYASZYNG-UHFFFAOYSA-N -1 3 247.258 0.576 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCCN(C)C1 ZINC000258678931 488126691 /nfs/dbraw/zinc/12/66/91/488126691.db2.gz DFCKMDIBEJDQFU-UWVGGRQHSA-N -1 3 242.319 0.554 20 0 BCADHM CCN1CCN(C(=O)c2cncc([O-])c2)C[C@H]1C ZINC000111740200 487499846 /nfs/dbraw/zinc/49/98/46/487499846.db2.gz HNXNRZJRLGJGPU-SNVBAGLBSA-N -1 3 249.314 0.953 20 0 BCADHM O=C(c1cc(=O)[n-]cn1)N1CC(CC(F)F)C1 ZINC000627837342 487500526 /nfs/dbraw/zinc/50/05/26/487500526.db2.gz RIBJOSCQVCYKDH-UHFFFAOYSA-N -1 3 243.213 0.909 20 0 BCADHM C[C@]1(C(=O)[O-])CCCN1C[C@@H](O)C(F)(F)F ZINC000227070833 487502786 /nfs/dbraw/zinc/50/27/86/487502786.db2.gz QIWZOCYRQKQCCF-HTRCEHHLSA-N -1 3 241.209 0.849 20 0 BCADHM C[C@@H](O)[C@@H]1CCN(Cc2ncccc2[O-])C1 ZINC000685427004 487520794 /nfs/dbraw/zinc/52/07/94/487520794.db2.gz ZXMKCZIFYUDBGX-NXEZZACHSA-N -1 3 222.288 0.990 20 0 BCADHM COc1cc(=NC(=O)CCc2c[nH]cn2)[n-]n1C ZINC000527010186 487567597 /nfs/dbraw/zinc/56/75/97/487567597.db2.gz KNFSORJJLSAIKO-UHFFFAOYSA-N -1 3 249.274 0.145 20 0 BCADHM CCn1c(=O)[n-]nc1S(=O)(=O)CC(F)F ZINC000685900149 487592851 /nfs/dbraw/zinc/59/28/51/487592851.db2.gz GNUDHXNVFBZBDC-UHFFFAOYSA-N -1 3 241.219 0.042 20 0 BCADHM CC(C)(C(N)=O)C(=O)Nc1cccc([O-])c1F ZINC000683495808 488179176 /nfs/dbraw/zinc/17/91/76/488179176.db2.gz AUJXBHIUIHDAJA-UHFFFAOYSA-N -1 3 240.234 0.981 20 0 BCADHM Cc1n[nH]c(C(=O)NCC2(N(C)C)CC2)c1[O-] ZINC000668051850 488195965 /nfs/dbraw/zinc/19/59/65/488195965.db2.gz UGXPLPWEYRVWQB-UHFFFAOYSA-N -1 3 238.291 0.248 20 0 BCADHM N[C@H](C(=O)N(CC(=O)[O-])CC1CC1)C1CCC1 ZINC000399008014 488226172 /nfs/dbraw/zinc/22/61/72/488226172.db2.gz VMYGBPBLZSXJME-NSHDSACASA-N -1 3 240.303 0.437 20 0 BCADHM O=C(NCc1c[nH]nn1)C(=O)c1ccc([O-])cc1 ZINC000672959738 488270180 /nfs/dbraw/zinc/27/01/80/488270180.db2.gz PISRKSQVASRAPY-UHFFFAOYSA-N -1 3 246.226 0.009 20 0 BCADHM Cn1ncc2c1nc(CN1CC=CCC1)[n-]c2=O ZINC000679322011 490111540 /nfs/dbraw/zinc/11/15/40/490111540.db2.gz RLVKSPCUJSNKIR-UHFFFAOYSA-N -1 3 245.286 0.831 20 0 BCADHM O=c1nc(CN2CCC[C@@H](c3cc[nH]n3)C2)[nH][n-]1 ZINC000121918582 490113216 /nfs/dbraw/zinc/11/32/16/490113216.db2.gz UUGVQKBRXYFOGQ-MRVPVSSYSA-N -1 3 248.290 0.201 20 0 BCADHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)CO)c[nH]1 ZINC000122830281 490177940 /nfs/dbraw/zinc/17/79/40/490177940.db2.gz YGHPCQWUZMNLHR-SSDOTTSWSA-N -1 3 247.320 0.192 20 0 BCADHM CN(CCN(C)C1CC1)C(=O)C(C)(C)C(=O)[O-] ZINC000647740399 490221962 /nfs/dbraw/zinc/22/19/62/490221962.db2.gz QRMQTQNBQJWBAJ-UHFFFAOYSA-N -1 3 242.319 0.650 20 0 BCADHM Cc1ccc(N(C)C[C@H](C)c2nnn[n-]2)nn1 ZINC000095342233 490227292 /nfs/dbraw/zinc/22/72/92/490227292.db2.gz DKWLCPNLOVJVLM-ZETCQYMHSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1ccc(N(C)C[C@H](C)c2nn[n-]n2)nn1 ZINC000095342233 490227301 /nfs/dbraw/zinc/22/73/01/490227301.db2.gz DKWLCPNLOVJVLM-ZETCQYMHSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1cnc(N(C)C[C@@H](C)c2nnn[n-]2)nc1 ZINC000095333839 490227363 /nfs/dbraw/zinc/22/73/63/490227363.db2.gz KQMFTUZXYPVSSC-MRVPVSSYSA-N -1 3 233.279 0.538 20 0 BCADHM Cc1cnc(N(C)C[C@@H](C)c2nn[n-]n2)nc1 ZINC000095333839 490227369 /nfs/dbraw/zinc/22/73/69/490227369.db2.gz KQMFTUZXYPVSSC-MRVPVSSYSA-N -1 3 233.279 0.538 20 0 BCADHM CC(C)(CNC(=O)c1c[n-]nn1)c1ccncc1 ZINC000131679261 490652147 /nfs/dbraw/zinc/65/21/47/490652147.db2.gz NCKKPLIHCRNRBW-UHFFFAOYSA-N -1 3 245.286 0.907 20 0 BCADHM CC(C)(CNC(=O)c1cnn[n-]1)c1ccncc1 ZINC000131679261 490652153 /nfs/dbraw/zinc/65/21/53/490652153.db2.gz NCKKPLIHCRNRBW-UHFFFAOYSA-N -1 3 245.286 0.907 20 0 BCADHM CC(C)(CNC(=O)c1cn[n-]n1)c1ccncc1 ZINC000131679261 490652160 /nfs/dbraw/zinc/65/21/60/490652160.db2.gz NCKKPLIHCRNRBW-UHFFFAOYSA-N -1 3 245.286 0.907 20 0 BCADHM CC1(NC(=O)c2cc(=O)[n-]cn2)CCOCC1 ZINC000626247427 491087342 /nfs/dbraw/zinc/08/73/42/491087342.db2.gz WGFASNZYHRGITR-UHFFFAOYSA-N -1 3 237.259 0.481 20 0 BCADHM CCN(CC(=O)OC)C(=O)c1csc(=O)[n-]1 ZINC000349567856 491122966 /nfs/dbraw/zinc/12/29/66/491122966.db2.gz ZMDATVZDMMPWNP-UHFFFAOYSA-N -1 3 244.272 0.484 20 0 BCADHM C[C@H](C1CC1)N(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC000091539101 491130989 /nfs/dbraw/zinc/13/09/89/491130989.db2.gz HLLJYEUCKBWZQK-SSDOTTSWSA-N -1 3 222.292 0.861 20 0 BCADHM C[C@H](CC(N)=O)NC(=O)/C=C\c1cncc([O-])c1 ZINC000493363230 533757190 /nfs/dbraw/zinc/75/71/90/533757190.db2.gz DYXFFTWGAUMQJB-YAJNLLPGSA-N -1 3 249.270 0.181 20 0 BCADHM COC(=O)c1cc(NC(=O)c2cnn[n-]2)cn1C ZINC000488244456 533890594 /nfs/dbraw/zinc/89/05/94/533890594.db2.gz DFIJWHNQBJIZHE-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM COC(=O)c1cc(NC(=O)c2c[n-]nn2)cn1C ZINC000488244456 533890598 /nfs/dbraw/zinc/89/05/98/533890598.db2.gz DFIJWHNQBJIZHE-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM COC(=O)c1cc(NC(=O)c2cn[n-]n2)cn1C ZINC000488244456 533890602 /nfs/dbraw/zinc/89/06/02/533890602.db2.gz DFIJWHNQBJIZHE-UHFFFAOYSA-N -1 3 249.230 0.182 20 0 BCADHM COc1ccccc1/C=C/C(=O)[N-]OCCO ZINC000492744278 533943969 /nfs/dbraw/zinc/94/39/69/533943969.db2.gz QCHSCLYCAQQFQQ-VOTSOKGWSA-N -1 3 237.255 0.749 20 0 BCADHM COC(=O)NCCCC(=O)[N-]OCCC1CC1 ZINC000495779284 534098819 /nfs/dbraw/zinc/09/88/19/534098819.db2.gz FNUXWEXDZUAEEY-UHFFFAOYSA-N -1 3 244.291 0.971 20 0 BCADHM C[C@@H](CO)N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492827210 534113326 /nfs/dbraw/zinc/11/33/26/534113326.db2.gz WLZDTJCEWLIHNU-TYRPZCRBSA-N -1 3 236.271 0.640 20 0 BCADHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000335381143 535922086 /nfs/dbraw/zinc/92/20/86/535922086.db2.gz RUJGRPBYGGDLFG-HTQZYQBOSA-N -1 3 229.305 0.497 20 0 BCADHM Cc1cnc(C(=O)NCCN2CCCC2)c([O-])c1 ZINC000494926432 534528501 /nfs/dbraw/zinc/52/85/01/534528501.db2.gz UFMXZENSFGVUIY-UHFFFAOYSA-N -1 3 249.314 0.921 20 0 BCADHM O=C(OC[C@H]1CNC(=O)O1)c1ccc([O-])cc1 ZINC000495782114 534563258 /nfs/dbraw/zinc/56/32/58/534563258.db2.gz HHEIOFCVGUPZFO-SECBINFHSA-N -1 3 237.211 0.657 20 0 BCADHM Cn1ccc(/C=C\C(=O)[N-]OC(C)(C)CO)c1 ZINC000493753618 534766249 /nfs/dbraw/zinc/76/62/49/534766249.db2.gz MFZZOWFGEGQVSG-PLNGDYQASA-N -1 3 238.287 0.857 20 0 BCADHM O=C(C=Cc1c[nH]cn1)[N-]O[C@@H]1CCOC1 ZINC000492869675 534802384 /nfs/dbraw/zinc/80/23/84/534802384.db2.gz VBVOKKGKRYUXIW-JKERVTFKSA-N -1 3 223.232 0.260 20 0 BCADHM CC(C)(NC(=O)/C=C\c1cncc([O-])c1)C(N)=O ZINC000492477775 527263977 /nfs/dbraw/zinc/26/39/77/527263977.db2.gz WCOVFXOZMJRRFI-ARJAWSKDSA-N -1 3 249.270 0.181 20 0 BCADHM CC(C)OCCO[N-]C(=O)C=Cc1c[nH]cn1 ZINC000493323983 527983743 /nfs/dbraw/zinc/98/37/43/527983743.db2.gz PQWOZPJZGYIGBT-ARJAWSKDSA-N -1 3 239.275 0.896 20 0 BCADHM CCO/C=C\C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000493108901 528524931 /nfs/dbraw/zinc/52/49/31/528524931.db2.gz UERUSTUKBPWSMC-WILPJHFFSA-N -1 3 239.275 0.165 20 0 BCADHM CCOCCO[N-]C(=O)/C=C\c1ccnn1C ZINC000492644459 528815590 /nfs/dbraw/zinc/81/55/90/528815590.db2.gz IKWJUGQMTHROHR-PLNGDYQASA-N -1 3 239.275 0.518 20 0 BCADHM CCCNC(=O)CN(CCC)CCC(=O)[O-] ZINC000261593425 535065404 /nfs/dbraw/zinc/06/54/04/535065404.db2.gz WUNDUNSVGSPEES-UHFFFAOYSA-N -1 3 230.308 0.699 20 0 BCADHM CCCn1c(=O)[n-]nc1SCC(C)(C)O ZINC000061596067 535579665 /nfs/dbraw/zinc/57/96/65/535579665.db2.gz XXCMRLYOKDBLRQ-UHFFFAOYSA-N -1 3 231.321 0.844 20 0 BCADHM CCCn1c(=O)[n-]nc1S[C@@H](C)[C@H](C)O ZINC000087140142 535580038 /nfs/dbraw/zinc/58/00/38/535580038.db2.gz CRTQVEVYNCXHJW-BQBZGAKWSA-N -1 3 231.321 0.843 20 0 BCADHM CCOC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000175577071 535684441 /nfs/dbraw/zinc/68/44/41/535684441.db2.gz PYZNBHWWDDIJQF-UHFFFAOYSA-N -1 3 247.272 0.673 20 0 BCADHM CC[C@@H]1CCCN(CC(=O)NCC(=O)[O-])C1 ZINC000262203457 535820023 /nfs/dbraw/zinc/82/00/23/535820023.db2.gz ISOUFYVKUKWIKU-SECBINFHSA-N -1 3 228.292 0.309 20 0 BCADHM CN(C)Cc1ccnc(NC(=O)c2cnn[n-]2)c1 ZINC000176906389 536051104 /nfs/dbraw/zinc/05/11/04/536051104.db2.gz ZBUOHQQHBITOKK-UHFFFAOYSA-N -1 3 246.274 0.514 20 0 BCADHM CN(C)Cc1ccnc(NC(=O)c2c[n-]nn2)c1 ZINC000176906389 536051106 /nfs/dbraw/zinc/05/11/06/536051106.db2.gz ZBUOHQQHBITOKK-UHFFFAOYSA-N -1 3 246.274 0.514 20 0 BCADHM CN(C)Cc1ccnc(NC(=O)c2cn[n-]n2)c1 ZINC000176906389 536051110 /nfs/dbraw/zinc/05/11/10/536051110.db2.gz ZBUOHQQHBITOKK-UHFFFAOYSA-N -1 3 246.274 0.514 20 0 BCADHM COCC(=O)[N-]c1nncn1-c1ccccc1 ZINC000181107704 536774603 /nfs/dbraw/zinc/77/46/03/536774603.db2.gz ZPBMMTKSSBXFAS-UHFFFAOYSA-N -1 3 232.243 0.852 20 0 BCADHM CC1(CN2CCC[C@@H](NC(=O)[O-])C2)COC1 ZINC000737733488 583161990 /nfs/dbraw/zinc/16/19/90/583161990.db2.gz QFKCBEWSXAVVAO-SECBINFHSA-N -1 3 228.292 0.755 20 0 BCADHM CC[C@@H](C)[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000040490714 574414807 /nfs/dbraw/zinc/41/48/07/574414807.db2.gz JWBXCSQZLLIOCI-BBBLOLIVSA-N -1 3 244.335 0.975 20 0 endogenous,in-vitro BCADHM Cc1nc(N2CC[C@](F)(CO)C2)cc(=O)[n-]1 ZINC000893728897 583215754 /nfs/dbraw/zinc/21/57/54/583215754.db2.gz YFNQEODNFGXNRG-SNVBAGLBSA-N -1 3 227.239 0.401 20 0 BCADHM C[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1C(=O)[O-] ZINC000111254937 588737840 /nfs/dbraw/zinc/73/78/40/588737840.db2.gz PLWUGJXBFNFKOW-ZJUUUORDSA-N -1 3 240.303 0.261 20 0 BCADHM CCN(CC)C(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000111255619 588737898 /nfs/dbraw/zinc/73/78/98/588737898.db2.gz KXBJJOKMUAGMTN-VHSXEESVSA-N -1 3 242.319 0.507 20 0 BCADHM COC(OC)[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000853681527 588755616 /nfs/dbraw/zinc/75/56/16/588755616.db2.gz SALOWOLWDOUVJY-LURJTMIESA-N -1 3 237.263 0.146 20 0 BCADHM CC[C@@H](CO)C(=O)[N-]OC1CCN(C)CC1 ZINC000854357826 588785007 /nfs/dbraw/zinc/78/50/07/588785007.db2.gz MLFNEJCWPQSRJD-VIFPVBQESA-N -1 3 230.308 0.147 20 0 BCADHM CN1CCC(O[N-]C(=O)C(C)(C)CO)CC1 ZINC000854358221 588785137 /nfs/dbraw/zinc/78/51/37/588785137.db2.gz SXFQLMYQYNTXND-UHFFFAOYSA-N -1 3 230.308 0.147 20 0 BCADHM CC1=NO[C@H](C(=O)[N-]OC2CCN(C)CC2)C1 ZINC000854358566 588785301 /nfs/dbraw/zinc/78/53/01/588785301.db2.gz YONIFRPCBGSBGO-JTQLQIEISA-N -1 3 241.291 0.293 20 0 BCADHM CC1=NO[C@@H](C(=O)[N-]c2nncn2C2CC2)C1 ZINC000854393359 588785634 /nfs/dbraw/zinc/78/56/34/588785634.db2.gz FJSYBMWOJKCBIS-MRVPVSSYSA-N -1 3 235.247 0.716 20 0 BCADHM CCN1CC[C@H]([N-]C(=O)C(F)(F)CC)C1=O ZINC000854385423 588785722 /nfs/dbraw/zinc/78/57/22/588785722.db2.gz HJPWPWGAGGHBSG-ZETCQYMHSA-N -1 3 234.246 0.769 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCCCN1 ZINC000854427727 588786448 /nfs/dbraw/zinc/78/64/48/588786448.db2.gz JWQNKEGJSNTLFN-ARJAWSKDSA-N -1 3 233.271 0.927 20 0 BCADHM CN(C)CCO[N-]C(=O)Cc1cscn1 ZINC000854690898 588801811 /nfs/dbraw/zinc/80/18/11/588801811.db2.gz PEPGVFOTHBKYDH-UHFFFAOYSA-N -1 3 229.305 0.295 20 0 BCADHM CO[C@@H](C(=O)[N-]OCCN(C)C)C1CCCC1 ZINC000854690413 588801853 /nfs/dbraw/zinc/80/18/53/588801853.db2.gz BRUCFNJPTJRVRJ-LLVKDONJSA-N -1 3 244.335 0.801 20 0 BCADHM CC(C)O[N-]C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC000854754796 588805603 /nfs/dbraw/zinc/80/56/03/588805603.db2.gz UXPCFQLKOYFGJZ-XQRVVYSFSA-N -1 3 238.243 0.848 20 0 BCADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1nccc(N)n1 ZINC000854762722 588806127 /nfs/dbraw/zinc/80/61/27/588806127.db2.gz MZKAYZLWEXADSY-RXMQYKEDSA-N -1 3 230.218 0.891 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CCCF ZINC000854830643 588812516 /nfs/dbraw/zinc/81/25/16/588812516.db2.gz TYMDWAZLRVTKCZ-QMMMGPOBSA-N -1 3 207.245 0.801 20 0 BCADHM CCC(F)(F)C(=O)[N-]C[C@H](F)C(=O)OC ZINC000854913786 588816566 /nfs/dbraw/zinc/81/65/66/588816566.db2.gz LPHCOUWCGUYTRD-YFKPBYRVSA-N -1 3 227.182 0.659 20 0 BCADHM CN(C)CCO[N-]C(=O)CCc1nccs1 ZINC000854946946 588818268 /nfs/dbraw/zinc/81/82/68/588818268.db2.gz BQFPNBLCGQFCDB-UHFFFAOYSA-N -1 3 243.332 0.685 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C=CCC2)nn1 ZINC000867506460 582458830 /nfs/dbraw/zinc/45/88/30/582458830.db2.gz XPAOZXJDOQGFTI-SECBINFHSA-N -1 3 239.300 0.782 20 0 BCADHM COc1cccc(C(=O)[N-]O)c1[N+](=O)[O-] ZINC000145987702 582554095 /nfs/dbraw/zinc/55/40/95/582554095.db2.gz IWOZOSNQYJLOLT-UHFFFAOYSA-N -1 3 212.161 0.722 20 0 BCADHM CC(C)OCCO[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC000812810014 582567015 /nfs/dbraw/zinc/56/70/15/582567015.db2.gz PFRUGRVTJYJWJA-PWSUYJOCSA-N -1 3 243.303 0.886 20 0 BCADHM CCCO[N-]C(=O)[C@@H]1CCn2cncc2C1 ZINC000844086419 582569488 /nfs/dbraw/zinc/56/94/88/582569488.db2.gz PAHVCDUHKXLRBD-SECBINFHSA-N -1 3 223.276 0.903 20 0 BCADHM O=C(N[C@@H]1COC[C@H]1C1CC1)c1cc(=O)[n-]cn1 ZINC000891034589 582597519 /nfs/dbraw/zinc/59/75/19/582597519.db2.gz OGAWSLGRSOAWAM-WCBMZHEXSA-N -1 3 249.270 0.337 20 0 BCADHM O=C(N[C@H]1COC[C@H]1C1CC1)c1cc(=O)[n-]cn1 ZINC000891034590 582597521 /nfs/dbraw/zinc/59/75/21/582597521.db2.gz OGAWSLGRSOAWAM-WPRPVWTQSA-N -1 3 249.270 0.337 20 0 BCADHM CCn1nnnc1[N-]C(=O)[C@@H]1CCCSC1 ZINC000891339491 582666832 /nfs/dbraw/zinc/66/68/32/582666832.db2.gz CZVPPTNVRUCUOZ-SSDOTTSWSA-N -1 3 241.320 0.775 20 0 BCADHM CC[C@@H](SC)C(=O)[N-]c1nnnn1CC ZINC000891340735 582666952 /nfs/dbraw/zinc/66/69/52/582666952.db2.gz QWVIVSBBWACVPE-ZCFIWIBFSA-N -1 3 229.309 0.773 20 0 BCADHM CC/C(C)=C/C(=O)[N-]c1nnnn1CC ZINC000891340312 582667093 /nfs/dbraw/zinc/66/70/93/582667093.db2.gz POHYJVZJRLPAFU-VOTSOKGWSA-N -1 3 209.253 0.988 20 0 BCADHM CCn1cc(C[N-]C(=O)C(F)(F)CC)nn1 ZINC000855614330 588842559 /nfs/dbraw/zinc/84/25/59/588842559.db2.gz XFHJHGNRDLDNSA-UHFFFAOYSA-N -1 3 232.234 0.960 20 0 BCADHM C[C@H]1C(=O)NCCN1Cc1ccc([O-])c(F)c1 ZINC000891849923 582729850 /nfs/dbraw/zinc/72/98/50/582729850.db2.gz LWRXUZRYXKLERL-QMMMGPOBSA-N -1 3 238.262 0.852 20 0 BCADHM C[C@@H]1C(=O)NCCN1Cc1ccc([O-])c(F)c1 ZINC000891849922 582729891 /nfs/dbraw/zinc/72/98/91/582729891.db2.gz LWRXUZRYXKLERL-MRVPVSSYSA-N -1 3 238.262 0.852 20 0 BCADHM C[C@H]1CC[C@@H](C(N)=O)CN1c1cc(=O)[n-]cn1 ZINC000891892151 582735685 /nfs/dbraw/zinc/73/56/85/582735685.db2.gz CMZVFNMHEVMDJP-JGVFFNPUSA-N -1 3 236.275 0.272 20 0 BCADHM Cc1cccc(C(=O)N2CC[C@@H]2CO)c1[O-] ZINC000889132345 582831173 /nfs/dbraw/zinc/83/11/73/582831173.db2.gz HJQDIAVXHOSJEL-SECBINFHSA-N -1 3 221.256 0.907 20 0 BCADHM COc1ccc(C(=O)N2CC[C@@H]2CO)c([O-])c1 ZINC000889132565 582831882 /nfs/dbraw/zinc/83/18/82/582831882.db2.gz LNRAXPIPHRXSHA-MRVPVSSYSA-N -1 3 237.255 0.608 20 0 BCADHM CC(=O)CCC(=O)[N-]OCCN1CCCC1=O ZINC000856036070 588857977 /nfs/dbraw/zinc/85/79/77/588857977.db2.gz OSPSKVZQIIGELS-UHFFFAOYSA-N -1 3 242.275 0.026 20 0 BCADHM Cc1ccc([O-])c(C(=O)N2CC[C@H]2CO)c1 ZINC000889133142 582832922 /nfs/dbraw/zinc/83/29/22/582832922.db2.gz WZYPTQISRBSFCR-VIFPVBQESA-N -1 3 221.256 0.907 20 0 BCADHM CC(=O)[C@@H](C)CCOC(=O)c1cnn[n-]1 ZINC000849776777 582864529 /nfs/dbraw/zinc/86/45/29/582864529.db2.gz QKMXZFQOSDXJFC-LURJTMIESA-N -1 3 211.221 0.577 20 0 BCADHM CC(=O)[C@@H](C)CCOC(=O)c1c[n-]nn1 ZINC000849776777 582864532 /nfs/dbraw/zinc/86/45/32/582864532.db2.gz QKMXZFQOSDXJFC-LURJTMIESA-N -1 3 211.221 0.577 20 0 BCADHM CCOCCC(=O)[N-]OCCN1CCCC1=O ZINC000856040045 588858337 /nfs/dbraw/zinc/85/83/37/588858337.db2.gz RWSMDBJKZDMCLQ-UHFFFAOYSA-N -1 3 244.291 0.083 20 0 BCADHM O=C(CC1CCC1)[N-]OCCN1CCCC1=O ZINC000856040360 588858397 /nfs/dbraw/zinc/85/83/97/588858397.db2.gz DSCSNNDLSGTCMM-UHFFFAOYSA-N -1 3 240.303 0.847 20 0 BCADHM Cn1cc(CC(=O)[N-]OCC2CCC2)cn1 ZINC000856347327 588867511 /nfs/dbraw/zinc/86/75/11/588867511.db2.gz NFHHAOSNLAZVKL-UHFFFAOYSA-N -1 3 223.276 0.811 20 0 BCADHM C[C@@H]([N-]C(=O)C(F)F)c1nccn1C ZINC000856275379 588866288 /nfs/dbraw/zinc/86/62/88/588866288.db2.gz BJYRVBSBFPOUCK-RXMQYKEDSA-N -1 3 203.192 0.862 20 0 BCADHM CC(C)(O)CC(=O)[N-]OCC1CCC1 ZINC000856351905 588870089 /nfs/dbraw/zinc/87/00/89/588870089.db2.gz UVVXQTHALYDLKY-UHFFFAOYSA-N -1 3 201.266 0.995 20 0 BCADHM CCOC(=O)[C@H](C)N(C)c1cc(=O)[n-]cn1 ZINC000892922082 583009363 /nfs/dbraw/zinc/00/93/63/583009363.db2.gz GHKVJEUPAFKBOM-ZETCQYMHSA-N -1 3 225.248 0.570 20 0 BCADHM CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(=O)[n-]cn1 ZINC000893053999 583038488 /nfs/dbraw/zinc/03/84/88/583038488.db2.gz TVYWDTXPNSQXBT-YUMQZZPRSA-N -1 3 236.275 0.509 20 0 BCADHM O=c1cc(N2CCC(n3ccnn3)CC2)nc[n-]1 ZINC000893085179 583046978 /nfs/dbraw/zinc/04/69/78/583046978.db2.gz FNJXOGMEHCITFE-UHFFFAOYSA-N -1 3 246.274 0.615 20 0 BCADHM CCO[C@@H]1COCC[C@@H]1Nc1cc(=O)[n-]cn1 ZINC000893169073 583063337 /nfs/dbraw/zinc/06/33/37/583063337.db2.gz WVJIMZVTXVCVRG-DTWKUNHWSA-N -1 3 239.275 0.788 20 0 BCADHM CCO[C@@H]1C[C@@H](Nc2cc(=O)[n-]cn2)[C@@H]1OC ZINC000893179320 583064711 /nfs/dbraw/zinc/06/47/11/583064711.db2.gz ORGHRUILBBBWMO-XLDPMVHQSA-N -1 3 239.275 0.787 20 0 BCADHM COC(=O)NCCCC(=O)[N-]OCC1CCC1 ZINC000856347026 588868850 /nfs/dbraw/zinc/86/88/50/588868850.db2.gz DHWSTYOBVZCPSJ-UHFFFAOYSA-N -1 3 244.291 0.971 20 0 BCADHM C[C@H](CS(C)(=O)=O)C(=O)[N-]OCC1CCC1 ZINC000856347900 588868859 /nfs/dbraw/zinc/86/88/59/588868859.db2.gz HJRIMWYWQNDMAF-MRVPVSSYSA-N -1 3 249.332 0.515 20 0 BCADHM Cc1nc(N2CC(=O)N(C)C[C@H]2C)cc(=O)[n-]1 ZINC000893378745 583132881 /nfs/dbraw/zinc/13/28/81/583132881.db2.gz DPGPHFXQBALOFF-SSDOTTSWSA-N -1 3 236.275 0.158 20 0 BCADHM C[C@@H]1CN(c2cc(=O)[n-]cn2)C[C@@H](C)S1=O ZINC000893454908 583146084 /nfs/dbraw/zinc/14/60/84/583146084.db2.gz YJXJHRVDYMDJEG-HTQZYQBOSA-N -1 3 241.316 0.528 20 0 BCADHM CCc1cc(N(C)C[C@@H](C)c2nnn[n-]2)ncn1 ZINC000095305083 583175769 /nfs/dbraw/zinc/17/57/69/583175769.db2.gz QDMNEJGRBVEZLP-MRVPVSSYSA-N -1 3 247.306 0.792 20 0 BCADHM CCc1cc(N(C)C[C@@H](C)c2nn[n-]n2)ncn1 ZINC000095305083 583175771 /nfs/dbraw/zinc/17/57/71/583175771.db2.gz QDMNEJGRBVEZLP-MRVPVSSYSA-N -1 3 247.306 0.792 20 0 BCADHM COC(=O)[C@H](C)N(C)c1cc(=O)[n-]c(C)n1 ZINC000893646097 583185611 /nfs/dbraw/zinc/18/56/11/583185611.db2.gz CTWPHXVCTZWPKT-LURJTMIESA-N -1 3 225.248 0.488 20 0 BCADHM O=c1cc(NCCC2(O)CCOCC2)nc[n-]1 ZINC000893823681 583229298 /nfs/dbraw/zinc/22/92/98/583229298.db2.gz ZMUVMWPPOKBGRX-UHFFFAOYSA-N -1 3 239.275 0.526 20 0 BCADHM Cc1nccnc1CCNc1cc(=O)[n-]cn1 ZINC000893988392 583270404 /nfs/dbraw/zinc/27/04/04/583270404.db2.gz AFQZSXFTQVTOKU-UHFFFAOYSA-N -1 3 231.259 0.935 20 0 BCADHM COC1CN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000857123566 588890105 /nfs/dbraw/zinc/89/01/05/588890105.db2.gz ZGPTVBGBNVHRDA-UHFFFAOYSA-N -1 3 226.207 0.397 20 0 BCADHM CO[C@@H]1COCC[C@@H]1CNc1cc(=O)[n-]cn1 ZINC000894045184 583286847 /nfs/dbraw/zinc/28/68/47/583286847.db2.gz DDEHQIKUBNMXHA-RKDXNWHRSA-N -1 3 239.275 0.646 20 0 BCADHM O=c1cc(N2CCO[C@@H](CF)C2)nc[n-]1 ZINC000894180588 583329957 /nfs/dbraw/zinc/32/99/57/583329957.db2.gz CZMDYRNVSGOEIK-ZETCQYMHSA-N -1 3 213.212 0.357 20 0 BCADHM CCN(CC)C(=O)CCCC(=O)[N-]OC ZINC000726384828 583350749 /nfs/dbraw/zinc/35/07/49/583350749.db2.gz UOYOWUQFYWGLNC-UHFFFAOYSA-N -1 3 216.281 0.703 20 0 BCADHM CC(C)(CO)O[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC000857284222 588902885 /nfs/dbraw/zinc/90/28/85/588902885.db2.gz BVNBNLQHPOEJLJ-KCJUWKMLSA-N -1 3 229.276 0.232 20 0 BCADHM COC(=O)C[C@H](C)C(=O)[N-]OC(C)(C)CO ZINC000857284206 588902930 /nfs/dbraw/zinc/90/29/30/588902930.db2.gz BFUXIEKOUAOUMT-ZETCQYMHSA-N -1 3 233.264 0.004 20 0 BCADHM CC(C)(CO)O[N-]C(=O)CCc1cncnc1 ZINC000857284101 588903019 /nfs/dbraw/zinc/90/30/19/588903019.db2.gz XMYQQZWOEPGCBD-UHFFFAOYSA-N -1 3 239.275 0.228 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CC[C@@H]1CCOC1 ZINC000857285507 588903419 /nfs/dbraw/zinc/90/34/19/588903419.db2.gz DUXPBRVSOUUJGT-GHMZBOCLSA-N -1 3 245.319 0.868 20 0 BCADHM CN(CCOCCO)Cc1ccc([O-])c(F)c1 ZINC000894263123 583400281 /nfs/dbraw/zinc/40/02/81/583400281.db2.gz CQWDYVGUOHGVEX-UHFFFAOYSA-N -1 3 243.278 0.972 20 0 BCADHM CO[C@@H]1COC[C@H]1Nc1cc(=O)[n-]cn1 ZINC000894354015 583434077 /nfs/dbraw/zinc/43/40/77/583434077.db2.gz HHWMJGPMTDLRMX-RNFRBKRXSA-N -1 3 211.221 0.008 20 0 BCADHM CO[C@@H]1COC[C@H]1Nc1cc(=O)[n-]c(C)n1 ZINC000894354844 583434266 /nfs/dbraw/zinc/43/42/66/583434266.db2.gz QCVLIFYEYXAKDJ-HTQZYQBOSA-N -1 3 225.248 0.316 20 0 BCADHM Cc1nc(N[C@H](CO)CCF)cc(=O)[n-]1 ZINC000894405094 583450377 /nfs/dbraw/zinc/45/03/77/583450377.db2.gz WMLOHDDKTFFHQS-ZETCQYMHSA-N -1 3 215.228 0.623 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@H]1CCO[C@H](C)C1 ZINC000857286310 588903860 /nfs/dbraw/zinc/90/38/60/588903860.db2.gz XPWRWCLSRQFYCG-OUAUKWLOSA-N -1 3 245.319 0.866 20 0 BCADHM O=c1cc(N[C@H]2C[C@H](O)C23CCC3)nc[n-]1 ZINC000894576568 583487740 /nfs/dbraw/zinc/48/77/40/583487740.db2.gz DBIPHMNJDFFBII-YUMQZZPRSA-N -1 3 221.260 0.898 20 0 BCADHM Cc1cncc(CCNc2cc(=O)[n-]cn2)n1 ZINC000894579597 583488360 /nfs/dbraw/zinc/48/83/60/583488360.db2.gz FFJBYKAIRGMLBL-UHFFFAOYSA-N -1 3 231.259 0.935 20 0 BCADHM O=c1cc(N2CCC3(COC3)C2)nc[n-]1 ZINC000894609100 583491928 /nfs/dbraw/zinc/49/19/28/583491928.db2.gz BWGKRBBDVHJPKF-UHFFFAOYSA-N -1 3 207.233 0.409 20 0 BCADHM O=c1cc(N2CCc3nccnc3C2)nc[n-]1 ZINC000894618002 583495688 /nfs/dbraw/zinc/49/56/88/583495688.db2.gz TVQIDFJAJREEHA-UHFFFAOYSA-N -1 3 229.243 0.535 20 0 BCADHM COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000895013538 583568355 /nfs/dbraw/zinc/56/83/55/583568355.db2.gz BXVILCSCSXZEKB-PSASIEDQSA-N -1 3 249.266 0.931 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc(OC)cn1 ZINC000895173808 583613557 /nfs/dbraw/zinc/61/35/57/583613557.db2.gz BFEJKIFZKVLCND-UHFFFAOYSA-N -1 3 239.275 0.248 20 0 BCADHM CCO[N-]C(=O)CNCc1c(C)noc1CC ZINC000895175811 583615608 /nfs/dbraw/zinc/61/56/08/583615608.db2.gz NSLBKCSLGVLZOV-UHFFFAOYSA-N -1 3 241.291 0.703 20 0 BCADHM CCO[N-]C(=O)CNCc1cnc(F)cc1C ZINC000895177376 583616064 /nfs/dbraw/zinc/61/60/64/583616064.db2.gz UDHMKKOXOFECOK-UHFFFAOYSA-N -1 3 241.266 0.686 20 0 BCADHM O=C(OCCn1cncn1)c1ccc([O-])cc1O ZINC000727181205 583620240 /nfs/dbraw/zinc/62/02/40/583620240.db2.gz PEPSKBWFKWBJKD-UHFFFAOYSA-N -1 3 249.226 0.546 20 0 BCADHM COC(=O)[C@@H]1CC[C@H](Nc2cc(=O)[n-]cn2)C1 ZINC000895296039 583641032 /nfs/dbraw/zinc/64/10/32/583641032.db2.gz UYSRNIBOVQXYHA-SFYZADRCSA-N -1 3 237.259 0.936 20 0 BCADHM CON(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000727482925 583660012 /nfs/dbraw/zinc/66/00/12/583660012.db2.gz XELZNTWRYOTCSK-UHFFFAOYSA-N -1 3 238.243 0.142 20 0 BCADHM O=C(N[C@H]1CCn2cncc21)c1cncc([O-])c1 ZINC000857981416 588928044 /nfs/dbraw/zinc/92/80/44/588928044.db2.gz DHMPOYHJQMQJRX-JTQLQIEISA-N -1 3 244.254 0.859 20 0 BCADHM O=C([N-][C@H]1CCn2cncc21)C(F)F ZINC000857981806 588928107 /nfs/dbraw/zinc/92/81/07/588928107.db2.gz JGCOZTUOIXZRHN-YFKPBYRVSA-N -1 3 201.176 0.709 20 0 BCADHM Cc1nc(N[C@H]2C[C@H](CO)C2)cc(=O)[n-]1 ZINC000896694970 583824692 /nfs/dbraw/zinc/82/46/92/583824692.db2.gz KPEDXGATXOWBQQ-ZKCHVHJHSA-N -1 3 209.249 0.673 20 0 BCADHM O=C(NCc1cncc([O-])c1)N1CC[C@H]1CO ZINC000896757113 583829789 /nfs/dbraw/zinc/82/97/89/583829789.db2.gz XJDKXWLGGVMMIG-VIFPVBQESA-N -1 3 237.259 0.063 20 0 BCADHM CO[N-]C(=O)CN[C@H]1CC[C@H]1SC ZINC000896923740 583858359 /nfs/dbraw/zinc/85/83/59/583858359.db2.gz HNZMDJRTBDSDFK-NKWVEPMBSA-N -1 3 204.295 0.148 20 0 BCADHM NC(=O)[C@]12CCC[C@H]1CN(c1cc(=O)[n-]cn1)C2 ZINC000896916108 583854718 /nfs/dbraw/zinc/85/47/18/583854718.db2.gz RUPYPHWBDBIULF-UFBFGSQYSA-N -1 3 248.286 0.274 20 0 BCADHM CO[N-]C(=O)CN[C@@H](C)Cc1ccsc1 ZINC000896927370 583859275 /nfs/dbraw/zinc/85/92/75/583859275.db2.gz QZTSUEISKYLZSR-QMMMGPOBSA-N -1 3 228.317 0.946 20 0 BCADHM CCN(CCC(=O)NC)c1cc(=O)[n-]cn1 ZINC000896978450 583865762 /nfs/dbraw/zinc/86/57/62/583865762.db2.gz SNGVFVWWSLZHIH-UHFFFAOYSA-N -1 3 224.264 0.145 20 0 BCADHM C[C@H](Cn1cncn1)NCc1cncc([O-])c1 ZINC000897315103 583918030 /nfs/dbraw/zinc/91/80/30/583918030.db2.gz GQNUXXGXHVCLLU-SECBINFHSA-N -1 3 233.275 0.557 20 0 BCADHM CO[N-]C(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000858300595 588943470 /nfs/dbraw/zinc/94/34/70/588943470.db2.gz QAPRKJXCVLTKHT-NSHDSACASA-N -1 3 248.282 0.826 20 0 BCADHM O=C([N-]N1CCOC1=O)c1cnn(C2CC2)c1 ZINC000862704940 583967692 /nfs/dbraw/zinc/96/76/92/583967692.db2.gz ZEPLEBXENUROTP-UHFFFAOYSA-N -1 3 236.231 0.315 20 0 BCADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H]1CO ZINC000889154135 583973804 /nfs/dbraw/zinc/97/38/04/583973804.db2.gz BOHDDICKNQSSQB-SECBINFHSA-N -1 3 239.246 0.667 20 0 BCADHM CCCCNC(=O)CO[N-]C(=O)C(C)(C)C ZINC000729264084 583988221 /nfs/dbraw/zinc/98/82/21/583988221.db2.gz CBRCZNVEDBBHLC-UHFFFAOYSA-N -1 3 230.308 0.997 20 0 BCADHM O=C(Nc1ccnn1C1CC1)c1nnc[n-]1 ZINC000889689315 584032758 /nfs/dbraw/zinc/03/27/58/584032758.db2.gz FXGFTWAERWIXTQ-UHFFFAOYSA-N -1 3 218.220 0.588 20 0 BCADHM O=C(Nc1ccnn1C1CC1)c1nc[n-]n1 ZINC000889689315 584032759 /nfs/dbraw/zinc/03/27/59/584032759.db2.gz FXGFTWAERWIXTQ-UHFFFAOYSA-N -1 3 218.220 0.588 20 0 BCADHM CCn1cnnc1[N-]C(=O)[C@H]1C[C@H](C)CO1 ZINC000897694907 584040956 /nfs/dbraw/zinc/04/09/56/584040956.db2.gz SIOJENCISOMEJR-JGVFFNPUSA-N -1 3 224.264 0.662 20 0 BCADHM C[C@H]1CO[C@@H](C(=O)[N-]c2nncn2C2CC2)C1 ZINC000897695163 584041056 /nfs/dbraw/zinc/04/10/56/584041056.db2.gz XRSLRGYWGPZMDW-VXNVDRBHSA-N -1 3 236.275 0.977 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1CCN1C(C)(C)C ZINC000897755470 584044142 /nfs/dbraw/zinc/04/41/42/584044142.db2.gz KRANLNCOSMYTOM-SNVBAGLBSA-N -1 3 244.335 0.944 20 0 BCADHM C[C@H]1CO[C@@H](C(=O)[N-]OCCN(C)C)C1 ZINC000897875721 584056545 /nfs/dbraw/zinc/05/65/45/584056545.db2.gz IPCUVKCDUMUJQJ-RKDXNWHRSA-N -1 3 216.281 0.021 20 0 BCADHM CC(C)CCCN1CC2(C1)NC(=O)[N-]C2=O ZINC000897906349 584059522 /nfs/dbraw/zinc/05/95/22/584059522.db2.gz QZXGTIOTFZRBEU-UHFFFAOYSA-N -1 3 225.292 0.316 20 0 BCADHM CCc1ccc(CN2CC3(C2)NC(=O)[N-]C3=O)o1 ZINC000897906682 584059822 /nfs/dbraw/zinc/05/98/22/584059822.db2.gz XQJUYXUBBLDIIS-UHFFFAOYSA-N -1 3 249.270 0.236 20 0 BCADHM CCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898207605 584091615 /nfs/dbraw/zinc/09/16/15/584091615.db2.gz NWROKIQKHIDMOC-ZETCQYMHSA-N -1 3 209.249 0.841 20 0 BCADHM CCOCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898205895 584091804 /nfs/dbraw/zinc/09/18/04/584091804.db2.gz SOLVUJKBVMMJJO-MRVPVSSYSA-N -1 3 239.275 0.468 20 0 BCADHM O=C(c1cn[nH]c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211103 584092346 /nfs/dbraw/zinc/09/23/46/584092346.db2.gz MCMOVPVUSTVAPV-ZETCQYMHSA-N -1 3 247.258 0.468 20 0 BCADHM O=C(c1c[nH]cn1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898212668 584092477 /nfs/dbraw/zinc/09/24/77/584092477.db2.gz OGKULQAUSMFXOT-ZETCQYMHSA-N -1 3 247.258 0.468 20 0 BCADHM O=C(c1cnc[nH]1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898212668 584092478 /nfs/dbraw/zinc/09/24/78/584092478.db2.gz OGKULQAUSMFXOT-ZETCQYMHSA-N -1 3 247.258 0.468 20 0 BCADHM O=C(c1cc[nH]n1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211734 584092592 /nfs/dbraw/zinc/09/25/92/584092592.db2.gz UBRNKDOPEWJXMS-ZETCQYMHSA-N -1 3 247.258 0.468 20 0 BCADHM O=C(c1ccn[nH]1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211734 584092594 /nfs/dbraw/zinc/09/25/94/584092594.db2.gz UBRNKDOPEWJXMS-ZETCQYMHSA-N -1 3 247.258 0.468 20 0 BCADHM C[C@H](OC(=O)c1ccc([O-])cc1)c1nnnn1C ZINC000787567870 584119941 /nfs/dbraw/zinc/11/99/41/584119941.db2.gz NZXPMHUCPMYBHH-ZETCQYMHSA-N -1 3 248.242 0.834 20 0 BCADHM C[C@@H](OC(=O)c1ccc([O-])cc1)c1nnnn1C ZINC000787567868 584119971 /nfs/dbraw/zinc/11/99/71/584119971.db2.gz NZXPMHUCPMYBHH-SSDOTTSWSA-N -1 3 248.242 0.834 20 0 BCADHM CC1(C(=O)NCCCc2c[n-][nH]c2=O)CCC1 ZINC000898734586 584155282 /nfs/dbraw/zinc/15/52/82/584155282.db2.gz ZFQADAKWHJVXMA-VIFPVBQESA-N -1 3 237.303 0.805 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccco1 ZINC000898729479 584155775 /nfs/dbraw/zinc/15/57/75/584155775.db2.gz RKKMGGULXRQDOR-MRVPVSSYSA-N -1 3 235.243 0.521 20 0 BCADHM CC[C@@H](OC)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898730703 584155829 /nfs/dbraw/zinc/15/58/29/584155829.db2.gz BLFUKYJWGFOCRN-DTWKUNHWSA-N -1 3 241.291 0.040 20 0 BCADHM CC(C)[C@H](C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898733673 584155850 /nfs/dbraw/zinc/15/58/50/584155850.db2.gz TWFWUNMQKSZJJO-VHSXEESVSA-N -1 3 239.319 0.907 20 0 BCADHM O=C(CCC1CC1)NCCCc1c[n-][nH]c1=O ZINC000898732710 584155952 /nfs/dbraw/zinc/15/59/52/584155952.db2.gz NGAKVUVMBFUBNP-SNVBAGLBSA-N -1 3 237.303 0.805 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)c1ccccc1 ZINC000898729601 584156061 /nfs/dbraw/zinc/15/60/61/584156061.db2.gz ULLFYWSYXCGTOK-LLVKDONJSA-N -1 3 245.282 0.928 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)[C@H]1CC12CCC2 ZINC000898736903 584156417 /nfs/dbraw/zinc/15/64/17/584156417.db2.gz KUEXMKWWJYMGBC-NXEZZACHSA-N -1 3 249.314 0.805 20 0 BCADHM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)[N-]OCCO ZINC000898939220 584167197 /nfs/dbraw/zinc/16/71/97/584167197.db2.gz LQOJAFUKIXODNA-XCBNKYQSSA-N -1 3 239.275 0.116 20 0 BCADHM Cc1ncsc1CCC(=O)[N-]OCCO ZINC000898940049 584167223 /nfs/dbraw/zinc/16/72/23/584167223.db2.gz ZVFITHHSGQFMBJ-UHFFFAOYSA-N -1 3 230.289 0.424 20 0 BCADHM O=C(C[C@H]1CCC2(CCC2)CO1)[N-]OCCO ZINC000898939591 584167439 /nfs/dbraw/zinc/16/74/39/584167439.db2.gz RJAWPTFJACJGQS-SNVBAGLBSA-N -1 3 243.303 0.766 20 0 BCADHM CCOC(=O)Cn1[n-]cc2c(=O)cccc-2c1=O ZINC000899356495 584200922 /nfs/dbraw/zinc/20/09/22/584200922.db2.gz KKJJUERAQNBRDE-UHFFFAOYSA-N -1 3 248.238 0.665 20 0 BCADHM CCOC(=O)Cn1ncc2c([O-])cccc2c1=O ZINC000899356495 584200923 /nfs/dbraw/zinc/20/09/23/584200923.db2.gz KKJJUERAQNBRDE-UHFFFAOYSA-N -1 3 248.238 0.665 20 0 BCADHM CC[C@@H](O)[C@H](C)C(=O)[N-]C1=NCCS1 ZINC000900005828 584264356 /nfs/dbraw/zinc/26/43/56/584264356.db2.gz KLICURAFLLLCNF-NKWVEPMBSA-N -1 3 216.306 0.612 20 0 BCADHM O=C([N-]c1cc[nH]n1)c1nnc(C2CC2)o1 ZINC000900417140 584306411 /nfs/dbraw/zinc/30/64/11/584306411.db2.gz FOQUQESWZIPWBY-UHFFFAOYSA-N -1 3 219.204 0.922 20 0 BCADHM CC[C@@H](C(=O)NCc1cncc([O-])c1)[C@@H](C)O ZINC000900719423 584344259 /nfs/dbraw/zinc/34/42/59/584344259.db2.gz MQUSPLCVGLXKMJ-LDYMZIIASA-N -1 3 238.287 0.810 20 0 BCADHM CCN[C@H](C)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000901031944 584375803 /nfs/dbraw/zinc/37/58/03/584375803.db2.gz AWHWMCJQUPXKRU-MRVPVSSYSA-N -1 3 248.348 0.373 20 0 BCADHM C/C(=C\C(=O)[N-]S(=O)(=O)CCN)C(C)(C)C ZINC000901100153 584380845 /nfs/dbraw/zinc/38/08/45/584380845.db2.gz FOIBAFFBZIBJEW-BQYQJAHWSA-N -1 3 248.348 0.384 20 0 BCADHM CC(C)(C)CCC(=O)[N-]S(=O)(=O)CCN ZINC000901098968 584385244 /nfs/dbraw/zinc/38/52/44/584385244.db2.gz QMAAWXOHWVZLGP-UHFFFAOYSA-N -1 3 236.337 0.217 20 0 BCADHM CCC[C@@H](CC)C(=O)[N-]S(=O)(=O)CCN ZINC000901101369 584388069 /nfs/dbraw/zinc/38/80/69/584388069.db2.gz MBAPGNCXYKDESV-MRVPVSSYSA-N -1 3 236.337 0.217 20 0 BCADHM CC1=NO[C@](C)(C(=O)[N-]C2=NCCS2)C1 ZINC000901154177 584391593 /nfs/dbraw/zinc/39/15/93/584391593.db2.gz KPUFFMDXRMZWNO-VIFPVBQESA-N -1 3 227.289 0.760 20 0 BCADHM C[C@@H](C(=O)[N-]C1=NCCS1)c1ccnn1C ZINC000901155516 584392006 /nfs/dbraw/zinc/39/20/06/584392006.db2.gz XKTQSUJVKIOMIL-SSDOTTSWSA-N -1 3 238.316 0.743 20 0 BCADHM COC[C@H](C)[N-]c1nnc(C(=O)NC(C)C)o1 ZINC000901409673 584440447 /nfs/dbraw/zinc/44/04/47/584440447.db2.gz VXVPKXOVIDHTDS-ZETCQYMHSA-N -1 3 242.279 0.655 20 0 BCADHM CC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])N(C)C ZINC000901457463 584450189 /nfs/dbraw/zinc/45/01/89/584450189.db2.gz MTOAGRFBDLDRSG-VHSXEESVSA-N -1 3 244.335 0.942 20 0 BCADHM CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])N(C)C ZINC000901495528 584453621 /nfs/dbraw/zinc/45/36/21/584453621.db2.gz JOZTZWODAQQMKO-UWVGGRQHSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@H](C(=O)N([C@H](C)C(=O)[O-])C1CC1)N(C)C ZINC000901639571 584473082 /nfs/dbraw/zinc/47/30/82/584473082.db2.gz FMBHGZFHNPMZQL-PSASIEDQSA-N -1 3 242.319 0.791 20 0 BCADHM CCn1cc(Cl)c([N-]S(C)(=O)=O)n1 ZINC000901712924 584487228 /nfs/dbraw/zinc/48/72/28/584487228.db2.gz IPSIEGPZCAVKJW-UHFFFAOYSA-N -1 3 223.685 0.928 20 0 BCADHM CC(C)(C(=O)[O-])N1CCN(CC2(F)CC2)CC1 ZINC000901765359 584491004 /nfs/dbraw/zinc/49/10/04/584491004.db2.gz WLEIKKLIFJSMQJ-UHFFFAOYSA-N -1 3 244.310 0.969 20 0 BCADHM CC[C@](C)(CN1C[C@@H](C)O[C@H](C(=O)[O-])C1)OC ZINC000901930841 584508048 /nfs/dbraw/zinc/50/80/48/584508048.db2.gz JIYXFKMLMMWTCV-JFGNBEQYSA-N -1 3 245.319 0.975 20 0 BCADHM CCCN(C)CC(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000902112328 584526697 /nfs/dbraw/zinc/52/66/97/584526697.db2.gz MSILRJFBENDCLS-GFCCVEGCSA-N -1 3 242.319 0.794 20 0 BCADHM CCCN(C)CC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000902112329 584526904 /nfs/dbraw/zinc/52/69/04/584526904.db2.gz MSILRJFBENDCLS-LBPRGKRZSA-N -1 3 242.319 0.794 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1CO[N-]C(C)=O ZINC000902703465 584658999 /nfs/dbraw/zinc/65/89/99/584658999.db2.gz MFMILBOPLGJZJU-JGVFFNPUSA-N -1 3 201.222 0.253 20 0 BCADHM NS(=O)(=O)[N-][C@H]1c2ccccc2OC[C@H]1F ZINC000902902398 584694072 /nfs/dbraw/zinc/69/40/72/584694072.db2.gz BPCQLSIZEVOMRP-APPZFPTMSA-N -1 3 246.263 0.251 20 0 BCADHM Cc1nonc1[N-]C(=O)c1cnc(N(C)C)cn1 ZINC000903040955 584720314 /nfs/dbraw/zinc/72/03/14/584720314.db2.gz ZQFZIQLZTQPSAH-UHFFFAOYSA-N -1 3 248.246 0.486 20 0 BCADHM Cc1n[nH]cc1CN[C@@]1(C(=O)[O-])CCSC1 ZINC000904007648 584837724 /nfs/dbraw/zinc/83/77/24/584837724.db2.gz PRDIGSPUFOAORL-JTQLQIEISA-N -1 3 241.316 0.768 20 0 BCADHM CC(C)N1CCC[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904189218 584848181 /nfs/dbraw/zinc/84/81/81/584848181.db2.gz FKLOMBHSFDBDQO-MRVPVSSYSA-N -1 3 238.295 0.021 20 0 BCADHM Cn1nnnc1[N-]C(=O)C1(C2CC2)CCC1 ZINC000904189471 584848765 /nfs/dbraw/zinc/84/87/65/584848765.db2.gz ODIKBIOGTFBRBF-UHFFFAOYSA-N -1 3 221.264 0.729 20 0 BCADHM CCOCCCCCC(=O)[N-]c1nnnn1C ZINC000904191888 584849116 /nfs/dbraw/zinc/84/91/16/584849116.db2.gz ZYHBHGBWIXPSQU-UHFFFAOYSA-N -1 3 241.295 0.746 20 0 BCADHM CCC[C@H](OCC)C(=O)[N-]c1nnnn1C ZINC000904191502 584849237 /nfs/dbraw/zinc/84/92/37/584849237.db2.gz SAIXIVCULLWOOB-ZETCQYMHSA-N -1 3 227.268 0.354 20 0 BCADHM C[C@H]1CCCC[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904191856 584849252 /nfs/dbraw/zinc/84/92/52/584849252.db2.gz QODIKNVFKAIJOB-YUMQZZPRSA-N -1 3 223.280 0.975 20 0 BCADHM C[C@@H](CC(=O)[N-]c1nnnn1C)c1cnn(C)c1 ZINC000904191527 584849464 /nfs/dbraw/zinc/84/94/64/584849464.db2.gz KUTJINKMSXLATC-ZETCQYMHSA-N -1 3 249.278 0.076 20 0 BCADHM Cn1nnnc1[N-]C(=O)CC(C)(C)C1CC1 ZINC000904194138 584849591 /nfs/dbraw/zinc/84/95/91/584849591.db2.gz VHWKAUWFGPWXOT-UHFFFAOYSA-N -1 3 223.280 0.975 20 0 BCADHM CSC1(C(=O)[N-]c2nnnn2C)CCC1 ZINC000904193909 584849617 /nfs/dbraw/zinc/84/96/17/584849617.db2.gz OWRJNUXUACKKHE-UHFFFAOYSA-N -1 3 227.293 0.434 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1Cc2ccc(F)cc21 ZINC000904193196 584849635 /nfs/dbraw/zinc/84/96/35/584849635.db2.gz CBIJITGZGDESMA-VIFPVBQESA-N -1 3 247.233 0.628 20 0 BCADHM CO[C@H]1CCC[C@@H](C(=O)[N-]c2nnnn2C)C1 ZINC000904193564 584849710 /nfs/dbraw/zinc/84/97/10/584849710.db2.gz JYUWQOMBXOTAFL-SFYZADRCSA-N -1 3 239.279 0.354 20 0 BCADHM CSCC(C)(C)C(=O)[N-]c1nnnn1C ZINC000904194201 584849716 /nfs/dbraw/zinc/84/97/16/584849716.db2.gz XNNDQGIPCRAIFV-UHFFFAOYSA-N -1 3 229.309 0.538 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CC12CCC2 ZINC000904194316 584849891 /nfs/dbraw/zinc/84/98/91/584849891.db2.gz BMYWITUIZKXFPU-LURJTMIESA-N -1 3 207.237 0.339 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@@H]1CCCSC1 ZINC000904194102 584849911 /nfs/dbraw/zinc/84/99/11/584849911.db2.gz TYVHUYIRLWOCAE-ZCFIWIBFSA-N -1 3 227.293 0.292 20 0 BCADHM C[C@H](C(=O)[N-]c1nnnn1C)c1ccccc1 ZINC000904194487 584849993 /nfs/dbraw/zinc/84/99/93/584849993.db2.gz ABXXOHNLNYZHIV-QMMMGPOBSA-N -1 3 231.259 0.952 20 0 BCADHM CC[C@@H]1CC[C@H](C(=O)[N-]c2nnnn2C)O1 ZINC000904194950 584850101 /nfs/dbraw/zinc/85/01/01/584850101.db2.gz PACSFFVYRDQKDL-RNFRBKRXSA-N -1 3 225.252 0.106 20 0 BCADHM CC(C)[C@H]1C[C@@H]1C(=O)[N-]c1nnnn1C ZINC000904194739 584850116 /nfs/dbraw/zinc/85/01/16/584850116.db2.gz DTCCXCKHFKGYLQ-RQJHMYQMSA-N -1 3 209.253 0.441 20 0 BCADHM CCCCO[C@H](C)C(=O)[N-]c1nnnn1C ZINC000904199084 584851141 /nfs/dbraw/zinc/85/11/41/584851141.db2.gz FOCVZSNQIGWOKM-SSDOTTSWSA-N -1 3 227.268 0.354 20 0 BCADHM Cn1nnnc1[N-]C(=O)[C@H]1Cc2ccccc21 ZINC000904199730 584851326 /nfs/dbraw/zinc/85/13/26/584851326.db2.gz SSJSEVZHZOFEGQ-VIFPVBQESA-N -1 3 229.243 0.489 20 0 BCADHM CCN(C)C(=O)[C@@H](N[C@@H](C)C(=O)[O-])C(C)C ZINC000904244719 584856762 /nfs/dbraw/zinc/85/67/62/584856762.db2.gz SGYNMVMJWPFXLI-IUCAKERBSA-N -1 3 230.308 0.552 20 0 BCADHM CC[C@@H](O)[C@H]1CCCCN1CCNC(=O)[O-] ZINC000826626936 584894968 /nfs/dbraw/zinc/89/49/68/584894968.db2.gz YYCOWTYVVSWOIB-NXEZZACHSA-N -1 3 230.308 0.879 20 0 BCADHM CCc1ccc([O-])c(C(=O)N2CC=C(N)N2)c1 ZINC000829841346 584907917 /nfs/dbraw/zinc/90/79/17/584907917.db2.gz XHQKDBDNAPPHNI-UHFFFAOYSA-N -1 3 233.271 0.715 20 0 BCADHM COCCN1CCC[C@@H](NC(=O)[O-])C1 ZINC000737812401 584920856 /nfs/dbraw/zinc/92/08/56/584920856.db2.gz OJNHDERZHBSSRG-MRVPVSSYSA-N -1 3 202.254 0.365 20 0 BCADHM COCCN1CCN(CCCC(=O)[O-])C[C@H]1C ZINC000737814715 584925700 /nfs/dbraw/zinc/92/57/00/584925700.db2.gz YDMAXGYNVDHDDL-LLVKDONJSA-N -1 3 244.335 0.504 20 0 BCADHM CC[C@@H](OC(=O)c1cncc([O-])c1)C(N)=O ZINC000732392582 584936691 /nfs/dbraw/zinc/93/66/91/584936691.db2.gz GZZSBTJGRBFZCZ-MRVPVSSYSA-N -1 3 224.216 0.208 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)O[C@H]1C=CCCC1 ZINC000733497571 584950095 /nfs/dbraw/zinc/95/00/95/584950095.db2.gz YYOAAEBYNYIVSR-QMMMGPOBSA-N -1 3 238.243 0.190 20 0 BCADHM COCCCOC(=O)c1cncc([O-])c1 ZINC000733495741 584950102 /nfs/dbraw/zinc/95/01/02/584950102.db2.gz UMZHYGGLJWUEFM-UHFFFAOYSA-N -1 3 211.217 0.981 20 0 BCADHM COc1ncc(C(=O)[N-]c2nc(C)no2)cn1 ZINC000733950471 584955372 /nfs/dbraw/zinc/95/53/72/584955372.db2.gz FJVSSUMTLXTXMS-UHFFFAOYSA-N -1 3 235.203 0.429 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1C[C@@H]2[C@H](C1)C2(C)C ZINC000736206767 584991772 /nfs/dbraw/zinc/99/17/72/584991772.db2.gz FDYWZWYFHJZBDA-HLTSFMKQSA-N -1 3 240.303 0.164 20 0 BCADHM C[C@H](C(=O)NCC(=O)[O-])N1CCC(C)(C)CC1 ZINC000736208278 584991802 /nfs/dbraw/zinc/99/18/02/584991802.db2.gz MFLOUEVAXDADNS-SECBINFHSA-N -1 3 242.319 0.698 20 0 BCADHM CCC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736308597 584996977 /nfs/dbraw/zinc/99/69/77/584996977.db2.gz FHRAEMIBQQTZPM-UHFFFAOYSA-N -1 3 218.220 0.032 20 0 BCADHM CCC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736308597 584996978 /nfs/dbraw/zinc/99/69/78/584996978.db2.gz FHRAEMIBQQTZPM-UHFFFAOYSA-N -1 3 218.220 0.032 20 0 BCADHM CC(C)[C@H](C(=O)NCCCCC(=O)[O-])N(C)C ZINC000736347782 584998541 /nfs/dbraw/zinc/99/85/41/584998541.db2.gz MFIGPBBGZSXWLL-LLVKDONJSA-N -1 3 244.335 0.944 20 0 BCADHM C[C@@H](C(=O)[N-]C1=NC[C@@H](C)S1)n1cncn1 ZINC000819768153 585006321 /nfs/dbraw/zinc/00/63/21/585006321.db2.gz KPAXYYANMVMSQI-RQJHMYQMSA-N -1 3 239.304 0.447 20 0 BCADHM CC(C)N(C)CC(=O)NC[C@H](C)C(=O)[O-] ZINC000736594900 585006946 /nfs/dbraw/zinc/00/69/46/585006946.db2.gz FMGLZLCAJWESSS-QMMMGPOBSA-N -1 3 216.281 0.164 20 0 BCADHM C[C@@H]1CC[C@@H](C)N1CC(=O)NC(C)(C)C(=O)[O-] ZINC000736761472 585011530 /nfs/dbraw/zinc/01/15/30/585011530.db2.gz JOKASIGZJFOBSD-RKDXNWHRSA-N -1 3 242.319 0.839 20 0 BCADHM C[C@@H]1C[C@@H](C)N(CC(=O)NCCC(=O)[O-])C1 ZINC000736756554 585011740 /nfs/dbraw/zinc/01/17/40/585011740.db2.gz UARKPRQHALHCRV-RKDXNWHRSA-N -1 3 228.292 0.308 20 0 BCADHM C[C@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC000736783930 585014342 /nfs/dbraw/zinc/01/43/42/585014342.db2.gz ISGOJCKUZAXBMS-VIFPVBQESA-N -1 3 228.292 0.452 20 0 BCADHM CC[C@@H](C(=O)[O-])N1CCc2cncnc2C1 ZINC000736859853 585018098 /nfs/dbraw/zinc/01/80/98/585018098.db2.gz JTBVTCFVCYUEHN-JTQLQIEISA-N -1 3 221.260 0.698 20 0 BCADHM CN[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736883811 585018551 /nfs/dbraw/zinc/01/85/51/585018551.db2.gz RSJSAOBSADBCSO-SECBINFHSA-N -1 3 247.258 0.300 20 0 BCADHM CN[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736883811 585018552 /nfs/dbraw/zinc/01/85/52/585018552.db2.gz RSJSAOBSADBCSO-SECBINFHSA-N -1 3 247.258 0.300 20 0 BCADHM CC[C@H](C)N(C)CC(=O)NCCC(=O)[O-] ZINC000736881870 585018611 /nfs/dbraw/zinc/01/86/11/585018611.db2.gz CNRNYDYZRYAAMH-QMMMGPOBSA-N -1 3 216.281 0.308 20 0 BCADHM CC[C@H](C)COC(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000756356724 585022406 /nfs/dbraw/zinc/02/24/06/585022406.db2.gz UBQWVADVOSNLSL-YUMQZZPRSA-N -1 3 242.275 0.564 20 0 BCADHM CCN(CC(=O)NCCC(=O)[O-])CC1CC1 ZINC000737069190 585024628 /nfs/dbraw/zinc/02/46/28/585024628.db2.gz ZQYNOZQYGKDAOL-UHFFFAOYSA-N -1 3 228.292 0.309 20 0 BCADHM CCN(CC(=O)[O-])Cc1cc(=O)c(O)co1 ZINC000737076296 585024990 /nfs/dbraw/zinc/02/49/90/585024990.db2.gz XUMIVACELBXAQD-UHFFFAOYSA-N -1 3 227.216 0.252 20 0 BCADHM CCN1CCC[C@@H]1CNC(=O)CCNC(=O)[O-] ZINC000737113182 585025919 /nfs/dbraw/zinc/02/59/19/585025919.db2.gz BOTFSOONGIYVGT-SECBINFHSA-N -1 3 243.307 0.245 20 0 BCADHM CCN1CCCC[C@@H]1C(=O)NCCCC(=O)[O-] ZINC000737117213 585025975 /nfs/dbraw/zinc/02/59/75/585025975.db2.gz YXLQSRFMYURHGJ-SNVBAGLBSA-N -1 3 242.319 0.842 20 0 BCADHM CN(C)[C@H]1CCCN(C(=O)CCNC(=O)[O-])C1 ZINC000737359236 585030733 /nfs/dbraw/zinc/03/07/33/585030733.db2.gz OSTBKIYFBCUNAY-VIFPVBQESA-N -1 3 243.307 0.197 20 0 BCADHM CN(C)[C@H]1CCCN(C(=O)CN(C)C(=O)[O-])C1 ZINC000737384792 585031046 /nfs/dbraw/zinc/03/10/46/585031046.db2.gz JPWNZXGFXIUOJJ-VIFPVBQESA-N -1 3 243.307 0.149 20 0 BCADHM CN(CC(=O)NCCCC(=O)[O-])CC(C)(C)C ZINC000737395109 585031455 /nfs/dbraw/zinc/03/14/55/585031455.db2.gz SMNHQNLLSHBRAK-UHFFFAOYSA-N -1 3 244.335 0.945 20 0 BCADHM CN(CC(=O)NC[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000737516021 585034505 /nfs/dbraw/zinc/03/45/05/585034505.db2.gz YRNKRMBVQPGIMJ-VIFPVBQESA-N -1 3 243.307 0.054 20 0 BCADHM CN(CCCN1CCN(C)CC1)C(=O)[O-] ZINC000737526629 585034844 /nfs/dbraw/zinc/03/48/44/585034844.db2.gz VOLGOHRPMKFDBV-UHFFFAOYSA-N -1 3 215.297 0.234 20 0 BCADHM O=C(NCC1CC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738044544 585040725 /nfs/dbraw/zinc/04/07/25/585040725.db2.gz LEDOASMSGRBMOE-UHFFFAOYSA-N -1 3 244.258 0.402 20 0 BCADHM O=C(NCC1CC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738044544 585040726 /nfs/dbraw/zinc/04/07/26/585040726.db2.gz LEDOASMSGRBMOE-UHFFFAOYSA-N -1 3 244.258 0.402 20 0 BCADHM O=C(Nc1ccncc1-c1nnn[n-]1)C1CCC1 ZINC000738197153 585041871 /nfs/dbraw/zinc/04/18/71/585041871.db2.gz OWOOTQQUMDJFBQ-UHFFFAOYSA-N -1 3 244.258 0.422 20 0 BCADHM O=C(Nc1ccncc1-c1nn[n-]n1)C1CCC1 ZINC000738197153 585041872 /nfs/dbraw/zinc/04/18/72/585041872.db2.gz OWOOTQQUMDJFBQ-UHFFFAOYSA-N -1 3 244.258 0.422 20 0 BCADHM Cc1nc(C)n([C@H]2CCCN(CC(=O)[O-])C2)n1 ZINC000738348377 585043846 /nfs/dbraw/zinc/04/38/46/585043846.db2.gz IKTLHOPNWLKQNI-JTQLQIEISA-N -1 3 238.291 0.616 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-]CCCF)nn1 ZINC000866982455 585047503 /nfs/dbraw/zinc/04/75/03/585047503.db2.gz WIKUNVYHMOUUHQ-UHFFFAOYSA-N -1 3 233.268 0.423 20 0 BCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)CC2CCC2)C(=O)O1 ZINC000841525099 585058720 /nfs/dbraw/zinc/05/87/20/585058720.db2.gz QEOWBFXCDHWQJI-VXNVDRBHSA-N -1 3 247.316 0.410 20 0 BCADHM O=C(OCCOCCO)c1ccc([O-])cc1O ZINC000740191784 585098584 /nfs/dbraw/zinc/09/85/84/585098584.db2.gz ZPRGIMQCMBDHRV-UHFFFAOYSA-N -1 3 242.227 0.264 20 0 BCADHM CNC(=O)c1nn[n-]c1NC(=O)[C@@H](F)C(C)C ZINC000839448284 585104065 /nfs/dbraw/zinc/10/40/65/585104065.db2.gz QJIRKRMGKHNCFG-YFKPBYRVSA-N -1 3 243.242 0.097 20 0 BCADHM CNC(=O)c1[n-]nnc1NC(=O)[C@@H](F)C(C)C ZINC000839448284 585104066 /nfs/dbraw/zinc/10/40/66/585104066.db2.gz QJIRKRMGKHNCFG-YFKPBYRVSA-N -1 3 243.242 0.097 20 0 BCADHM CNC(=O)c1n[n-]nc1NC(=O)[C@@H](F)C(C)C ZINC000839448284 585104067 /nfs/dbraw/zinc/10/40/67/585104067.db2.gz QJIRKRMGKHNCFG-YFKPBYRVSA-N -1 3 243.242 0.097 20 0 BCADHM O=C(CNC(=O)c1ccc([O-])cc1)OCCF ZINC000744940678 585154654 /nfs/dbraw/zinc/15/46/54/585154654.db2.gz FFYOWJOVSAAXJC-UHFFFAOYSA-N -1 3 241.218 0.635 20 0 BCADHM Cc1ccc(C(N)=O)cc1NC(=O)c1nc[n-]n1 ZINC000746147794 585163858 /nfs/dbraw/zinc/16/38/58/585163858.db2.gz UTUIUIQIEMROJS-UHFFFAOYSA-N -1 3 245.242 0.464 20 0 BCADHM O=C(COC(=O)c1ccc([O-])cc1)N1CCC1 ZINC000746904908 585173356 /nfs/dbraw/zinc/17/33/56/585173356.db2.gz XMLCDPREZDDMGG-UHFFFAOYSA-N -1 3 235.239 0.781 20 0 BCADHM CCOCCS(=O)(=O)[N-]Cc1ccon1 ZINC000747292283 585177563 /nfs/dbraw/zinc/17/75/63/585177563.db2.gz ZSEYZGFHKCJCJG-UHFFFAOYSA-N -1 3 234.277 0.131 20 0 BCADHM Fc1cccc(CN=c2ncnc3[nH][n-]cc2-3)n1 ZINC000747844196 585185022 /nfs/dbraw/zinc/18/50/22/585185022.db2.gz BZKIBZMRRIGHNH-UHFFFAOYSA-N -1 3 244.233 0.873 20 0 BCADHM CO[C@@H](C)CC(=O)Nc1ccncc1[O-] ZINC000748313194 585190784 /nfs/dbraw/zinc/19/07/84/585190784.db2.gz ZNLSJGUDYROJBC-ZETCQYMHSA-N -1 3 210.233 0.573 20 0 BCADHM COCCO[N-]C(=O)[C@@H](C(C)C)N(C)C ZINC000748774865 585195452 /nfs/dbraw/zinc/19/54/52/585195452.db2.gz VPZOUFYVFNLEJX-SECBINFHSA-N -1 3 218.297 0.267 20 0 BCADHM COCCCCC(=O)[N-]OCCOC ZINC000748768973 585195674 /nfs/dbraw/zinc/19/56/74/585195674.db2.gz HVZUXDZLJRWNAT-UHFFFAOYSA-N -1 3 205.254 0.497 20 0 BCADHM COCCON=C([O-])Nc1cccnc1OC ZINC000749017171 585198345 /nfs/dbraw/zinc/19/83/45/585198345.db2.gz QCMAIYCERSYBCF-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM COCCO[N-]C(=O)Nc1cccnc1OC ZINC000749017171 585198346 /nfs/dbraw/zinc/19/83/46/585198346.db2.gz QCMAIYCERSYBCF-UHFFFAOYSA-N -1 3 241.247 0.790 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1CCn2ccnc2C1 ZINC000749257648 585200917 /nfs/dbraw/zinc/20/09/17/585200917.db2.gz KVVHGHRHXRANLA-SECBINFHSA-N -1 3 239.275 0.140 20 0 BCADHM CNC(=O)COC(=O)c1ccc(F)cc1[O-] ZINC000750145199 585211115 /nfs/dbraw/zinc/21/11/15/585211115.db2.gz HCQRAGWLGJVXHC-UHFFFAOYSA-N -1 3 227.191 0.434 20 0 BCADHM COCCO[N-]C(=O)[C@@H]1CCn2cncc2C1 ZINC000750893448 585221327 /nfs/dbraw/zinc/22/13/27/585221327.db2.gz OITFCJXYCSZTGH-SECBINFHSA-N -1 3 239.275 0.140 20 0 BCADHM CC1=C([O-])N(C)S(=O)(=O)N1CCC(C)C ZINC000752881288 585251098 /nfs/dbraw/zinc/25/10/98/585251098.db2.gz MXAMEZBCASTKIV-MRVPVSSYSA-N -1 3 234.321 0.440 20 0 BCADHM CNC(=O)CCCCC(=O)[N-]OCCCOC ZINC000805037405 585256346 /nfs/dbraw/zinc/25/63/46/585256346.db2.gz AORWOEDNICMNJG-UHFFFAOYSA-N -1 3 246.307 0.377 20 0 BCADHM COCCCO[N-]C(=O)CCCn1ccnc1 ZINC000805037382 585256492 /nfs/dbraw/zinc/25/64/92/585256492.db2.gz ABYFUYSOMNCNKY-UHFFFAOYSA-N -1 3 241.291 0.748 20 0 BCADHM COCCCO[N-]C(=O)[C@H](C)N(C)C ZINC000805038383 585256695 /nfs/dbraw/zinc/25/66/95/585256695.db2.gz CVBZGXQRQHTSOL-QMMMGPOBSA-N -1 3 204.270 0.021 20 0 BCADHM COCCCCC(=O)[N-]OCCCOC ZINC000805040043 585257148 /nfs/dbraw/zinc/25/71/48/585257148.db2.gz ODUOVQRSCHKYIW-UHFFFAOYSA-N -1 3 219.281 0.887 20 0 BCADHM COCCCO[N-]C(=O)[C@@H]1CCCN1C ZINC000805042290 585258886 /nfs/dbraw/zinc/25/88/86/585258886.db2.gz YBQDQCQHHYIAFW-VIFPVBQESA-N -1 3 216.281 0.165 20 0 BCADHM CCCN1CCC[C@@H]1C(=O)[N-]OCCCOC ZINC000805042593 585259461 /nfs/dbraw/zinc/25/94/61/585259461.db2.gz ZDMCLUANCMAUOW-LLVKDONJSA-N -1 3 244.335 0.945 20 0 BCADHM COCCCO[N-]C(=O)C[C@](C)(O)C1CC1 ZINC000805044777 585263490 /nfs/dbraw/zinc/26/34/90/585263490.db2.gz BBURKYYUNYSGPF-NSHDSACASA-N -1 3 231.292 0.622 20 0 BCADHM COCCCO[N-]C(=O)c1cnns1 ZINC000805044786 585263592 /nfs/dbraw/zinc/26/35/92/585263592.db2.gz FVFWFNKOKJHZRK-UHFFFAOYSA-N -1 3 217.250 0.236 20 0 BCADHM COCCCO[N-]C(=O)CC(C)(C)O ZINC000805045928 585265360 /nfs/dbraw/zinc/26/53/60/585265360.db2.gz ZFOPELGBISEQMV-UHFFFAOYSA-N -1 3 205.254 0.232 20 0 BCADHM CN(C)C(=O)c1cc2n[n-]nc2cc1F ZINC000753981131 585274177 /nfs/dbraw/zinc/27/41/77/585274177.db2.gz IPSYNUSKYSYCKJ-UHFFFAOYSA-N -1 3 208.196 0.799 20 0 BCADHM Cc1cc(=O)[n-]c(CN2CCOC[C@H]2C)n1 ZINC000754797023 585290880 /nfs/dbraw/zinc/29/08/80/585290880.db2.gz AJQSSGXHTNRJIE-SECBINFHSA-N -1 3 223.276 0.711 20 0 BCADHM COC[C@@H](C)CC(=O)[N-]C1=NCCS1 ZINC000755061070 585294110 /nfs/dbraw/zinc/29/41/10/585294110.db2.gz CBVHZPVHMQFBQD-ZETCQYMHSA-N -1 3 216.306 0.878 20 0 BCADHM CCOCCO[N-]C(=O)CCc1ccncn1 ZINC000755387001 585298876 /nfs/dbraw/zinc/29/88/76/585298876.db2.gz UALJIWQRQBRXCZ-UHFFFAOYSA-N -1 3 239.275 0.494 20 0 BCADHM CO[N-]C(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000755449547 585299678 /nfs/dbraw/zinc/29/96/78/585299678.db2.gz JHPUKHFAHPCXPX-UHFFFAOYSA-N -1 3 247.247 0.520 20 0 BCADHM NC(=O)CON=C([O-])Nc1cccc(F)c1F ZINC000756253670 585316577 /nfs/dbraw/zinc/31/65/77/585316577.db2.gz JMJCWCNSDCTZOL-UHFFFAOYSA-N -1 3 245.185 0.503 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1cccc(F)c1F ZINC000756253670 585316578 /nfs/dbraw/zinc/31/65/78/585316578.db2.gz JMJCWCNSDCTZOL-UHFFFAOYSA-N -1 3 245.185 0.503 20 0 BCADHM CC[C@@H](C)COC(=O)CN1CC(=O)[N-]C1=O ZINC000756410413 585319491 /nfs/dbraw/zinc/31/94/91/585319491.db2.gz LOHNUYURCFFVCW-SSDOTTSWSA-N -1 3 228.248 0.128 20 0 BCADHM COc1cc(C(=O)O[C@H](C)C(N)=O)ccc1[O-] ZINC000757094778 585327399 /nfs/dbraw/zinc/32/73/99/585327399.db2.gz CSXYWXFPXPZMMG-ZCFIWIBFSA-N -1 3 239.227 0.431 20 0 BCADHM CC[C@H](C(=O)[N-]OCC(C)(C)O)N(C)C ZINC000839738177 585337804 /nfs/dbraw/zinc/33/78/04/585337804.db2.gz CCZNJXODSPUOEF-MRVPVSSYSA-N -1 3 218.297 0.145 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CCCC(=O)C1CC1 ZINC000839744440 585339798 /nfs/dbraw/zinc/33/97/98/585339798.db2.gz BNEUNVBHVFVCLQ-UHFFFAOYSA-N -1 3 243.303 0.955 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000758467152 585356316 /nfs/dbraw/zinc/35/63/16/585356316.db2.gz QFMAFWCFYFLGGN-SCZZXKLOSA-N -1 3 245.275 0.760 20 0 BCADHM Cc1cnn(CCC(=O)[N-]OCC(F)F)c1 ZINC000759351247 585370856 /nfs/dbraw/zinc/37/08/56/585370856.db2.gz KHDXMLUDVGNROJ-UHFFFAOYSA-N -1 3 233.218 0.895 20 0 BCADHM CCO[N-]C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000759933206 585382767 /nfs/dbraw/zinc/38/27/67/585382767.db2.gz FRWBARLCFACQJL-UHFFFAOYSA-N -1 3 248.246 0.735 20 0 BCADHM O=C([N-]OCC(F)F)Nc1ccncc1F ZINC000759997013 585383844 /nfs/dbraw/zinc/38/38/44/585383844.db2.gz KNLKCUSFHAZQPF-UHFFFAOYSA-N -1 3 235.165 0.961 20 0 BCADHM CCCN(C)CC(=O)[N-]OCC(F)F ZINC000760144977 585386127 /nfs/dbraw/zinc/38/61/27/585386127.db2.gz QVBDPBUWHLDWCR-UHFFFAOYSA-N -1 3 210.224 0.641 20 0 BCADHM O=C(NOCC(F)F)c1ccc2n[n-]nc2c1 ZINC000760161170 585386245 /nfs/dbraw/zinc/38/62/45/585386245.db2.gz VPQNHRBEIKAWHA-UHFFFAOYSA-N -1 3 242.185 0.884 20 0 BCADHM C/C=C/C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000761965751 585423568 /nfs/dbraw/zinc/42/35/68/585423568.db2.gz WWXLSINLKZAWPT-NSCUHMNNSA-N -1 3 248.282 0.814 20 0 BCADHM O=C(Nc1ccc(OCCO)cc1)c1nc[n-]n1 ZINC000763050777 585442445 /nfs/dbraw/zinc/44/24/45/585442445.db2.gz BQIILRAUCUGDNF-UHFFFAOYSA-N -1 3 248.242 0.428 20 0 BCADHM Cc1cc(=O)[n-]c(CS[C@@H](C)C(N)=O)n1 ZINC000763207536 585444461 /nfs/dbraw/zinc/44/44/61/585444461.db2.gz AZMLHYWKMQVQAI-LURJTMIESA-N -1 3 227.289 0.598 20 0 BCADHM O=C([N-]C1=NCCS1)[C@@H]1C[C@]12CCOC2 ZINC000763402176 585447716 /nfs/dbraw/zinc/44/77/16/585447716.db2.gz DYSXSYXJZPAAMX-XVKPBYJWSA-N -1 3 226.301 0.632 20 0 BCADHM COCCO[N-]C(=O)[C@H]1C[C@]12CCOC2 ZINC000764203999 585461691 /nfs/dbraw/zinc/46/16/91/585461691.db2.gz GXAYZGHUYLJYKL-SCZZXKLOSA-N -1 3 215.249 0.107 20 0 BCADHM COCCO[N-]C(=O)CN(C)[C@H]1CCSC1 ZINC000764511541 585467149 /nfs/dbraw/zinc/46/71/49/585467149.db2.gz GSGJWKSESSTABW-VIFPVBQESA-N -1 3 248.348 0.118 20 0 BCADHM CC(C)(C)C(=O)OCSc1n[n-]c(CO)n1 ZINC000767077809 585513565 /nfs/dbraw/zinc/51/35/65/585513565.db2.gz DDCKDUSDLSXRMM-UHFFFAOYSA-N -1 3 245.304 0.936 20 0 BCADHM CC/C=C\CCOC(=O)CN1CC(=O)[N-]C1=O ZINC000767535142 585522058 /nfs/dbraw/zinc/52/20/58/585522058.db2.gz ARXJIWBGCJIBFC-ARJAWSKDSA-N -1 3 240.259 0.438 20 0 BCADHM CO[C@@H](C(=O)[N-]C1=NCCS1)C(C)C ZINC000769842090 585565376 /nfs/dbraw/zinc/56/53/76/585565376.db2.gz IFAPJJPNMGDJQS-SSDOTTSWSA-N -1 3 216.306 0.876 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N1CCC[C@@H](O)C1 ZINC000770474199 585574563 /nfs/dbraw/zinc/57/45/63/585574563.db2.gz WQQNLPSBKCEHKZ-DLRQAJBASA-N -1 3 248.282 0.784 20 0 BCADHM CCO[N-]C(=O)CC[C@]1(C)CCC(=O)N1 ZINC000770548702 585576260 /nfs/dbraw/zinc/57/62/60/585576260.db2.gz GCOQMPBGKBJUHJ-JTQLQIEISA-N -1 3 214.265 0.503 20 0 BCADHM CO[N-]C(=O)Cc1ccccc1C(=O)OC ZINC000770551410 585576335 /nfs/dbraw/zinc/57/63/35/585576335.db2.gz ANMRFNRBFGWQMN-UHFFFAOYSA-N -1 3 223.228 0.693 20 0 BCADHM O=C(N[C@@H](CO)C1CC1)c1ccccc1[O-] ZINC000771054274 585588988 /nfs/dbraw/zinc/58/89/88/585588988.db2.gz PFVLBLXRUJBJPJ-JTQLQIEISA-N -1 3 221.256 0.893 20 0 BCADHM O=C(N[C@H](CO)C1CC1)c1ccccc1[O-] ZINC000771054275 585589127 /nfs/dbraw/zinc/58/91/27/585589127.db2.gz PFVLBLXRUJBJPJ-SNVBAGLBSA-N -1 3 221.256 0.893 20 0 BCADHM CC(C)[C@](C)(O)C(=O)[N-]C1=NCCS1 ZINC000771106476 585590708 /nfs/dbraw/zinc/59/07/08/585590708.db2.gz MUORWUBRAIGZIW-VIFPVBQESA-N -1 3 216.306 0.612 20 0 BCADHM O=C(CCCCO)[N-]OCc1cccnc1 ZINC000771521242 585595640 /nfs/dbraw/zinc/59/56/40/585595640.db2.gz SJFJFTPJGRWLHT-UHFFFAOYSA-N -1 3 224.260 0.792 20 0 BCADHM COCCO[N-]C(=O)CCc1ccnn1C ZINC000772136258 585609106 /nfs/dbraw/zinc/60/91/06/585609106.db2.gz RDIZEUBKPHEQBI-UHFFFAOYSA-N -1 3 227.264 0.047 20 0 BCADHM O=C(O[C@@H]1CCNC1=O)c1c([O-])cccc1F ZINC000772594423 585618750 /nfs/dbraw/zinc/61/87/50/585618750.db2.gz UBHJRPZLGCDOKZ-MRVPVSSYSA-N -1 3 239.202 0.577 20 0 BCADHM CCOCCO[N-]C(=O)[C@H](C)CC(=O)OC ZINC000772689185 585620689 /nfs/dbraw/zinc/62/06/89/585620689.db2.gz DQMARXJYVLWVDY-MRVPVSSYSA-N -1 3 233.264 0.270 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1CCCN1C ZINC000772701684 585620907 /nfs/dbraw/zinc/62/09/07/585620907.db2.gz RNZDSAIJZVEVAU-VIFPVBQESA-N -1 3 216.281 0.165 20 0 BCADHM CCOCCO[N-]C(=O)C[C@H]1CCOC1 ZINC000772695003 585620926 /nfs/dbraw/zinc/62/09/26/585620926.db2.gz FTKYCJCZXDYQOM-SECBINFHSA-N -1 3 217.265 0.497 20 0 BCADHM CCOCCO[N-]C(=O)CCc1ccnn1C ZINC000772699513 585621194 /nfs/dbraw/zinc/62/11/94/585621194.db2.gz PVZZIJWHCIBDEP-UHFFFAOYSA-N -1 3 241.291 0.437 20 0 BCADHM CCOCCO[N-]C(=O)C[C@H](C)COC ZINC000772696356 585621277 /nfs/dbraw/zinc/62/12/77/585621277.db2.gz DGFACALTMDTZJV-VIFPVBQESA-N -1 3 219.281 0.743 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@@H]1CC12CCCC2 ZINC000772940185 585627923 /nfs/dbraw/zinc/62/79/23/585627923.db2.gz PUXRIXFMISJSOH-ZETCQYMHSA-N -1 3 212.249 0.100 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@H]1CC12CCCC2 ZINC000772940184 585628086 /nfs/dbraw/zinc/62/80/86/585628086.db2.gz PUXRIXFMISJSOH-SSDOTTSWSA-N -1 3 212.249 0.100 20 0 BCADHM COC(C)(C)C(=O)[N-]OC1CCN(C)CC1 ZINC000773545272 585640292 /nfs/dbraw/zinc/64/02/92/585640292.db2.gz ICCGINDNXQOVRS-UHFFFAOYSA-N -1 3 230.308 0.553 20 0 BCADHM CC(=O)CCC(=O)[N-]OC1CCOCC1 ZINC000773941897 585646917 /nfs/dbraw/zinc/64/69/17/585646917.db2.gz RIZHNIJKBSKLLD-UHFFFAOYSA-N -1 3 215.249 0.582 20 0 BCADHM CC[C@@H](C)OCC(=O)[N-]OC1CCN(C)CC1 ZINC000774290726 585655806 /nfs/dbraw/zinc/65/58/06/585655806.db2.gz KWAOZQHMUHWVQG-SNVBAGLBSA-N -1 3 244.335 0.944 20 0 BCADHM COC(=O)c1cccc(CO[N-]C(C)=O)n1 ZINC000774820190 585666728 /nfs/dbraw/zinc/66/67/28/585666728.db2.gz HGRJTAUNFPAJCL-UHFFFAOYSA-N -1 3 224.216 0.436 20 0 BCADHM CN1CCCC[C@@H]1C(=O)[N-]OC1CCOCC1 ZINC000775241846 585673877 /nfs/dbraw/zinc/67/38/77/585673877.db2.gz SGBBJMZKLYBIJI-LLVKDONJSA-N -1 3 242.319 0.698 20 0 BCADHM CN(C)C1(C(=O)[N-]OC2CCOCC2)CCC1 ZINC000775246539 585674085 /nfs/dbraw/zinc/67/40/85/585674085.db2.gz QQPWDYDRKSTJEM-UHFFFAOYSA-N -1 3 242.319 0.698 20 0 BCADHM Cc1n[n-]nc1C(=O)OC[C@H]1CCCOC1 ZINC000805545225 585678308 /nfs/dbraw/zinc/67/83/08/585678308.db2.gz JGDLOBUHCHGEJV-QMMMGPOBSA-N -1 3 225.248 0.697 20 0 BCADHM COc1cccc(COC(=O)c2n[n-]nc2C)n1 ZINC000805545230 585678324 /nfs/dbraw/zinc/67/83/24/585678324.db2.gz JHPCMMCCJFVDAA-UHFFFAOYSA-N -1 3 248.242 0.874 20 0 BCADHM Cc1n[n-]nc1C(=O)OCCn1ccnc1 ZINC000805546828 585679428 /nfs/dbraw/zinc/67/94/28/585679428.db2.gz NTSLYQUWHTUKCO-UHFFFAOYSA-N -1 3 221.220 0.167 20 0 BCADHM Cc1noc([C@H](C)OC(=O)c2n[n-]nc2C)n1 ZINC000805547983 585681510 /nfs/dbraw/zinc/68/15/10/585681510.db2.gz ZDVHAKVBOIABLE-YFKPBYRVSA-N -1 3 237.219 0.723 20 0 BCADHM CC(=O)c1cccc(NC([O-])=NOCCO)c1 ZINC000776296032 585695233 /nfs/dbraw/zinc/69/52/33/585695233.db2.gz YFMFHJLQPSGVNC-UHFFFAOYSA-N -1 3 238.243 0.935 20 0 BCADHM CC(=O)c1cccc(NC(=O)[N-]OCCO)c1 ZINC000776296032 585695234 /nfs/dbraw/zinc/69/52/34/585695234.db2.gz YFMFHJLQPSGVNC-UHFFFAOYSA-N -1 3 238.243 0.935 20 0 BCADHM CCc1cnc(NC([O-])=NOCCO)s1 ZINC000776299988 585695248 /nfs/dbraw/zinc/69/52/48/585695248.db2.gz STLSFPGBRTTWJH-UHFFFAOYSA-N -1 3 231.277 0.751 20 0 BCADHM CCc1cnc(NC(=O)[N-]OCCO)s1 ZINC000776299988 585695249 /nfs/dbraw/zinc/69/52/49/585695249.db2.gz STLSFPGBRTTWJH-UHFFFAOYSA-N -1 3 231.277 0.751 20 0 BCADHM Cc1cc(NC([O-])=NOCCO)no1 ZINC000776295646 585695311 /nfs/dbraw/zinc/69/53/11/585695311.db2.gz VQSYWPMCFGJASX-UHFFFAOYSA-N -1 3 201.182 0.028 20 0 BCADHM Cc1cc(NC(=O)[N-]OCCO)no1 ZINC000776295646 585695312 /nfs/dbraw/zinc/69/53/12/585695312.db2.gz VQSYWPMCFGJASX-UHFFFAOYSA-N -1 3 201.182 0.028 20 0 BCADHM O=C([N-]OCCO)c1cc(=O)[nH]c2ccccc21 ZINC000776579853 585701049 /nfs/dbraw/zinc/70/10/49/585701049.db2.gz PVGFWVOMFTWXHT-UHFFFAOYSA-N -1 3 248.238 0.594 20 0 BCADHM COCCC1(C(=O)[N-]OCCO)CCCC1 ZINC000776583077 585701153 /nfs/dbraw/zinc/70/11/53/585701153.db2.gz CSUNOTWTMZIRBN-UHFFFAOYSA-N -1 3 231.292 0.623 20 0 BCADHM O=C(CCc1ccsc1)[N-]OCCO ZINC000776582100 585701290 /nfs/dbraw/zinc/70/12/90/585701290.db2.gz PFHRGJGUEZOKCK-UHFFFAOYSA-N -1 3 215.274 0.721 20 0 BCADHM O=C(CCc1ccccn1)[N-]OCCO ZINC000776581425 585701323 /nfs/dbraw/zinc/70/13/23/585701323.db2.gz GNKKRRVKBYLMKG-UHFFFAOYSA-N -1 3 210.233 0.054 20 0 BCADHM O=C(CCc1cc(F)ccc1F)[N-]OCCO ZINC000776584590 585701613 /nfs/dbraw/zinc/70/16/13/585701613.db2.gz VUJYEDLQNGRPLN-UHFFFAOYSA-N -1 3 245.225 0.938 20 0 BCADHM Cc1ccc(C)c(CC(=O)[N-]OCCO)c1 ZINC000776584159 585701647 /nfs/dbraw/zinc/70/16/47/585701647.db2.gz HAKCGJGNKHZJET-UHFFFAOYSA-N -1 3 223.272 0.886 20 0 BCADHM O=C(CCc1ccccc1)[N-]OCCO ZINC000776585389 585701819 /nfs/dbraw/zinc/70/18/19/585701819.db2.gz RGBUEQPNNNNABQ-UHFFFAOYSA-N -1 3 209.245 0.659 20 0 BCADHM CC(C)C[C@@H](C)OCCC(=O)[N-]OCCO ZINC000776584881 585701889 /nfs/dbraw/zinc/70/18/89/585701889.db2.gz XDDXMXNXMWHRPO-SNVBAGLBSA-N -1 3 233.308 0.868 20 0 BCADHM O=C(Nc1ccc2nncn2c1)c1nc[n-]n1 ZINC000777448728 585712099 /nfs/dbraw/zinc/71/20/99/585712099.db2.gz SZLRITSBGBAMTM-UHFFFAOYSA-N -1 3 229.203 0.100 20 0 BCADHM Cc1ncccc1C(=O)[N-]N1CN=NC1=O ZINC000777769066 585719938 /nfs/dbraw/zinc/71/99/38/585719938.db2.gz TZOZZQANASBORI-UHFFFAOYSA-N -1 3 219.204 0.071 20 0 BCADHM O=C([N-]N1CN=NC1=O)c1ccc(Cl)nc1 ZINC000777769651 585719946 /nfs/dbraw/zinc/71/99/46/585719946.db2.gz UWTFEZYABXPEDD-UHFFFAOYSA-N -1 3 239.622 0.416 20 0 BCADHM Cc1cnn(CCOC(=O)c2cnn[n-]2)c1 ZINC000805603295 585727784 /nfs/dbraw/zinc/72/77/84/585727784.db2.gz KWAPBTBQRLKZPP-UHFFFAOYSA-N -1 3 221.220 0.167 20 0 BCADHM Cc1cnn(CCOC(=O)c2c[n-]nn2)c1 ZINC000805603295 585727785 /nfs/dbraw/zinc/72/77/85/585727785.db2.gz KWAPBTBQRLKZPP-UHFFFAOYSA-N -1 3 221.220 0.167 20 0 BCADHM O=C(OC[C@@H]1CCCOC1)c1cnn[n-]1 ZINC000805603505 585728737 /nfs/dbraw/zinc/72/87/37/585728737.db2.gz OQZSFBIZTKHPAO-SSDOTTSWSA-N -1 3 211.221 0.388 20 0 BCADHM O=C(OC[C@@H]1CCCOC1)c1c[n-]nn1 ZINC000805603505 585728738 /nfs/dbraw/zinc/72/87/38/585728738.db2.gz OQZSFBIZTKHPAO-SSDOTTSWSA-N -1 3 211.221 0.388 20 0 BCADHM O=C(COC(=O)c1cnn[n-]1)c1ccc(F)cc1 ZINC000805603843 585730082 /nfs/dbraw/zinc/73/00/82/585730082.db2.gz WDPUFIUEUZXXEB-UHFFFAOYSA-N -1 3 249.201 0.984 20 0 BCADHM O=C(COC(=O)c1c[n-]nn1)c1ccc(F)cc1 ZINC000805603843 585730083 /nfs/dbraw/zinc/73/00/83/585730083.db2.gz WDPUFIUEUZXXEB-UHFFFAOYSA-N -1 3 249.201 0.984 20 0 BCADHM CCc1noc([C@@H](C)OC(=O)c2cnn[n-]2)n1 ZINC000805603905 585730106 /nfs/dbraw/zinc/73/01/06/585730106.db2.gz XMEXRICTHLCYAV-RXMQYKEDSA-N -1 3 237.219 0.668 20 0 BCADHM CCc1noc([C@@H](C)OC(=O)c2c[n-]nn2)n1 ZINC000805603905 585730107 /nfs/dbraw/zinc/73/01/07/585730107.db2.gz XMEXRICTHLCYAV-RXMQYKEDSA-N -1 3 237.219 0.668 20 0 BCADHM Cc1noc(C)c1CCOC(=O)c1cnn[n-]1 ZINC000805604029 585730332 /nfs/dbraw/zinc/73/03/32/585730332.db2.gz TXRLEHHTOCZNDI-UHFFFAOYSA-N -1 3 236.231 0.809 20 0 BCADHM Cc1noc(C)c1CCOC(=O)c1c[n-]nn1 ZINC000805604029 585730333 /nfs/dbraw/zinc/73/03/33/585730333.db2.gz TXRLEHHTOCZNDI-UHFFFAOYSA-N -1 3 236.231 0.809 20 0 BCADHM O=C(OCc1nnsc1Cl)c1cnn[n-]1 ZINC000805604457 585730931 /nfs/dbraw/zinc/73/09/31/585730931.db2.gz JTFBAGIXVUMVSM-UHFFFAOYSA-N -1 3 245.651 0.667 20 0 BCADHM O=C(OCc1nnsc1Cl)c1c[n-]nn1 ZINC000805604457 585730932 /nfs/dbraw/zinc/73/09/32/585730932.db2.gz JTFBAGIXVUMVSM-UHFFFAOYSA-N -1 3 245.651 0.667 20 0 BCADHM O=C(OCCOC1CCC1)c1cnn[n-]1 ZINC000805605596 585732083 /nfs/dbraw/zinc/73/20/83/585732083.db2.gz LFXXSYPWNKYXNC-UHFFFAOYSA-N -1 3 211.221 0.531 20 0 BCADHM O=C(OCCOC1CCC1)c1c[n-]nn1 ZINC000805605596 585732084 /nfs/dbraw/zinc/73/20/84/585732084.db2.gz LFXXSYPWNKYXNC-UHFFFAOYSA-N -1 3 211.221 0.531 20 0 BCADHM O=C(OCC1CCC(=O)CC1)c1cnn[n-]1 ZINC000805606606 585733333 /nfs/dbraw/zinc/73/33/33/585733333.db2.gz ZHTNWPRMGWMKKX-UHFFFAOYSA-N -1 3 223.232 0.721 20 0 BCADHM O=C(OCC1CCC(=O)CC1)c1c[n-]nn1 ZINC000805606606 585733334 /nfs/dbraw/zinc/73/33/34/585733334.db2.gz ZHTNWPRMGWMKKX-UHFFFAOYSA-N -1 3 223.232 0.721 20 0 BCADHM CC1(C)CC[C@@H](COC(=O)c2cnn[n-]2)O1 ZINC000805606681 585734042 /nfs/dbraw/zinc/73/40/42/585734042.db2.gz KKPNEXDXVZDUED-ZETCQYMHSA-N -1 3 225.248 0.919 20 0 BCADHM CC1(C)CC[C@@H](COC(=O)c2c[n-]nn2)O1 ZINC000805606681 585734043 /nfs/dbraw/zinc/73/40/43/585734043.db2.gz KKPNEXDXVZDUED-ZETCQYMHSA-N -1 3 225.248 0.919 20 0 BCADHM Cc1cnc(COC(=O)c2cnn[n-]2)s1 ZINC000805607032 585734514 /nfs/dbraw/zinc/73/45/14/585734514.db2.gz FFUUQWXAGRGYGV-UHFFFAOYSA-N -1 3 224.245 0.927 20 0 BCADHM Cc1cnc(COC(=O)c2c[n-]nn2)s1 ZINC000805607032 585734515 /nfs/dbraw/zinc/73/45/15/585734515.db2.gz FFUUQWXAGRGYGV-UHFFFAOYSA-N -1 3 224.245 0.927 20 0 BCADHM O=C(OCc1cn2ccccc2n1)c1cnn[n-]1 ZINC000805607155 585734646 /nfs/dbraw/zinc/73/46/46/585734646.db2.gz RQBOEAGEKOAMJJ-UHFFFAOYSA-N -1 3 243.226 0.809 20 0 BCADHM O=C(OCc1cn2ccccc2n1)c1c[n-]nn1 ZINC000805607155 585734647 /nfs/dbraw/zinc/73/46/47/585734647.db2.gz RQBOEAGEKOAMJJ-UHFFFAOYSA-N -1 3 243.226 0.809 20 0 BCADHM Cc1cncc(COC(=O)c2cnn[n-]2)c1 ZINC000805607794 585735217 /nfs/dbraw/zinc/73/52/17/585735217.db2.gz QSEULXINQDHJSJ-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM Cc1cncc(COC(=O)c2c[n-]nn2)c1 ZINC000805607794 585735218 /nfs/dbraw/zinc/73/52/18/585735218.db2.gz QSEULXINQDHJSJ-UHFFFAOYSA-N -1 3 218.216 0.865 20 0 BCADHM O=C(O[C@@H]1Cc2ccccc2C1=O)c1cnn[n-]1 ZINC000805607990 585735293 /nfs/dbraw/zinc/73/52/93/585735293.db2.gz VUBUQTNQEPNZFD-SNVBAGLBSA-N -1 3 243.222 0.769 20 0 BCADHM O=C(O[C@@H]1Cc2ccccc2C1=O)c1c[n-]nn1 ZINC000805607990 585735294 /nfs/dbraw/zinc/73/52/94/585735294.db2.gz VUBUQTNQEPNZFD-SNVBAGLBSA-N -1 3 243.222 0.769 20 0 BCADHM CCc1nc(COC(=O)c2cnn[n-]2)no1 ZINC000805607941 585735510 /nfs/dbraw/zinc/73/55/10/585735510.db2.gz USJHLONAEORGTM-UHFFFAOYSA-N -1 3 223.192 0.107 20 0 BCADHM CCc1nc(COC(=O)c2c[n-]nn2)no1 ZINC000805607941 585735511 /nfs/dbraw/zinc/73/55/11/585735511.db2.gz USJHLONAEORGTM-UHFFFAOYSA-N -1 3 223.192 0.107 20 0 BCADHM C[C@@H]1CC[C@H](COC(=O)c2cnn[n-]2)O1 ZINC000805608875 585735595 /nfs/dbraw/zinc/73/55/95/585735595.db2.gz JYCAVEQTMNRVTA-RNFRBKRXSA-N -1 3 211.221 0.529 20 0 BCADHM C[C@@H]1CC[C@H](COC(=O)c2c[n-]nn2)O1 ZINC000805608875 585735596 /nfs/dbraw/zinc/73/55/96/585735596.db2.gz JYCAVEQTMNRVTA-RNFRBKRXSA-N -1 3 211.221 0.529 20 0 BCADHM CC(C)[C@H](OC(=O)c1cnn[n-]1)C(=O)N(C)C ZINC000805609100 585736111 /nfs/dbraw/zinc/73/61/11/585736111.db2.gz MXISYILTUJBBTK-QMMMGPOBSA-N -1 3 240.263 0.074 20 0 BCADHM CC(C)[C@H](OC(=O)c1c[n-]nn1)C(=O)N(C)C ZINC000805609100 585736112 /nfs/dbraw/zinc/73/61/12/585736112.db2.gz MXISYILTUJBBTK-QMMMGPOBSA-N -1 3 240.263 0.074 20 0 BCADHM CO[C@H](C)CC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000778963961 585742959 /nfs/dbraw/zinc/74/29/59/585742959.db2.gz FVXZFDKMJWQRLH-RXMQYKEDSA-N -1 3 241.247 0.560 20 0 BCADHM CN(C)CC(=O)[N-]OC1CCCCC1 ZINC000779487798 585755767 /nfs/dbraw/zinc/75/57/67/585755767.db2.gz KUJUPDHZKXWEMC-UHFFFAOYSA-N -1 3 200.282 0.929 20 0 BCADHM Cn1nnnc1[N-]C(=O)CSc1ccccc1 ZINC000779466555 585755532 /nfs/dbraw/zinc/75/55/32/585755532.db2.gz FWRFUZUNCCYAIT-UHFFFAOYSA-N -1 3 249.299 0.941 20 0 BCADHM CCO[N-]C(=O)Cc1ccccc1CO ZINC000779591727 585756732 /nfs/dbraw/zinc/75/67/32/585756732.db2.gz RZBBNBSHLYPLHZ-UHFFFAOYSA-N -1 3 209.245 0.789 20 0 BCADHM O=C(/C=C\c1cncc([O-])c1)N[C@H](CO)C1CC1 ZINC000779679224 585758742 /nfs/dbraw/zinc/75/87/42/585758742.db2.gz XFJFVZDMBFVRIA-VCUZLRKMSA-N -1 3 248.282 0.688 20 0 BCADHM O=C([N-]N1CCCC1=O)c1cnn2ccccc12 ZINC000780700405 585783288 /nfs/dbraw/zinc/78/32/88/585783288.db2.gz IOVAUYSIRVEQLF-UHFFFAOYSA-N -1 3 244.254 0.602 20 0 BCADHM O=C(N[C@H](CO)C1CC1)c1ccc(O)cc1[O-] ZINC000781016571 585788743 /nfs/dbraw/zinc/78/87/43/585788743.db2.gz YPFOJTILYSUIEG-SNVBAGLBSA-N -1 3 237.255 0.599 20 0 BCADHM CN1CCC[C@@H](O[N-]C(=O)C(C)(C)C)C1=O ZINC000781615798 585800627 /nfs/dbraw/zinc/80/06/27/585800627.db2.gz AKWDPPSGTZPIIS-MRVPVSSYSA-N -1 3 228.292 0.701 20 0 BCADHM CN1CCC[C@H](O[N-]C(=O)C(C)(C)C)C1=O ZINC000781615800 585800655 /nfs/dbraw/zinc/80/06/55/585800655.db2.gz AKWDPPSGTZPIIS-QMMMGPOBSA-N -1 3 228.292 0.701 20 0 BCADHM CCCNC(=O)[C@@H](C)O[N-]C(=O)C(C)(C)C ZINC000781618920 585800780 /nfs/dbraw/zinc/80/07/80/585800780.db2.gz ZDYRUIVQWUGBDK-MRVPVSSYSA-N -1 3 230.308 0.995 20 0 BCADHM CCc1cccc(C(=O)NN2CN=NC2=O)c1[O-] ZINC000782123988 585807902 /nfs/dbraw/zinc/80/79/02/585807902.db2.gz JPRVBFIPKJBSLC-UHFFFAOYSA-N -1 3 248.242 0.636 20 0 BCADHM Cc1ccncc1C(=O)[N-]N1CN=NC1=O ZINC000782122429 585807930 /nfs/dbraw/zinc/80/79/30/585807930.db2.gz BYHJZLMMNSYHDE-UHFFFAOYSA-N -1 3 219.204 0.071 20 0 BCADHM CCOC(=O)[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000782459951 585818806 /nfs/dbraw/zinc/81/88/06/585818806.db2.gz QFSIDEJUCPRJCS-ZETCQYMHSA-N -1 3 247.272 0.510 20 0 BCADHM C[C@H]1CN(C)C(=O)CN1C(=O)c1cccc([O-])c1 ZINC000783762786 585842682 /nfs/dbraw/zinc/84/26/82/585842682.db2.gz UTFGNFDXEYAWJF-VIFPVBQESA-N -1 3 248.282 0.695 20 0 BCADHM C[C@H]1C[C@H](C(=O)[N-]C2=NCCS2)CO1 ZINC000784041157 585847791 /nfs/dbraw/zinc/84/77/91/585847791.db2.gz YDTJXWGWDGLYKY-BQBZGAKWSA-N -1 3 214.290 0.630 20 0 BCADHM C[C@H]1C[C@@H](C(=O)[N-]C2=NCCS2)CO1 ZINC000784041160 585847946 /nfs/dbraw/zinc/84/79/46/585847946.db2.gz YDTJXWGWDGLYKY-NKWVEPMBSA-N -1 3 214.290 0.630 20 0 BCADHM Cn1ncc(C(=O)Nc2ccccc2[O-])n1 ZINC000785925306 585883489 /nfs/dbraw/zinc/88/34/89/585883489.db2.gz PPHSTYOMWFOCCE-UHFFFAOYSA-N -1 3 218.216 0.773 20 0 BCADHM C[C@@H](O)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000786813025 585897524 /nfs/dbraw/zinc/89/75/24/585897524.db2.gz JHQRPMWLJJJQPX-ZCFIWIBFSA-N -1 3 233.231 0.186 20 0 BCADHM C[C@@H](O)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000786813025 585897525 /nfs/dbraw/zinc/89/75/25/585897525.db2.gz JHQRPMWLJJJQPX-ZCFIWIBFSA-N -1 3 233.231 0.186 20 0 BCADHM C[C@@H](O)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000786813025 585897526 /nfs/dbraw/zinc/89/75/26/585897526.db2.gz JHQRPMWLJJJQPX-ZCFIWIBFSA-N -1 3 233.231 0.186 20 0 BCADHM O=C([N-]c1nnc2ccccn21)C(F)F ZINC000787065330 585900525 /nfs/dbraw/zinc/90/05/25/585900525.db2.gz OROFLWCMJXMQLP-UHFFFAOYSA-N -1 3 212.159 0.933 20 0 BCADHM O=C(C[N-]C(=O)C(F)F)NC1CCCC1 ZINC000787266797 585904337 /nfs/dbraw/zinc/90/43/37/585904337.db2.gz GRBDLJFHBNLIMY-UHFFFAOYSA-N -1 3 220.219 0.427 20 0 BCADHM O=C([N-]OCC(F)F)[C@@H]1CCc2nccn2C1 ZINC000787270008 585904386 /nfs/dbraw/zinc/90/43/86/585904386.db2.gz SKZVLTDAZWTUOJ-SSDOTTSWSA-N -1 3 245.229 0.758 20 0 BCADHM CC(=O)OCC(C)(C)CC(=O)[N-]OCCO ZINC000787282109 585904629 /nfs/dbraw/zinc/90/46/29/585904629.db2.gz IRPBDRQXGPQAMY-UHFFFAOYSA-N -1 3 233.264 0.006 20 0 BCADHM O=C([N-]OCCO)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000787286347 585904956 /nfs/dbraw/zinc/90/49/56/585904956.db2.gz WTPHYSFHKJGNGN-GXTWGEPZSA-N -1 3 247.294 0.931 20 0 BCADHM Cc1ccc(C(=O)NOCCO)c([O-])c1 ZINC000787287349 585905235 /nfs/dbraw/zinc/90/52/35/585905235.db2.gz SSPDEZKPPVMNQA-UHFFFAOYSA-N -1 3 211.217 0.354 20 0 BCADHM CCOCCC1(C(=O)[N-]OCCO)CCC1 ZINC000787287602 585905269 /nfs/dbraw/zinc/90/52/69/585905269.db2.gz XBGSJHWSHQOAJM-UHFFFAOYSA-N -1 3 231.292 0.623 20 0 BCADHM O=C(NOCCO)c1c[n-]nc1-c1cccnc1 ZINC000787292985 585905638 /nfs/dbraw/zinc/90/56/38/585905638.db2.gz KCLUYSWKDBPQRL-UHFFFAOYSA-N -1 3 248.242 0.125 20 0 BCADHM O=C(NOCCO)c1cn[n-]c1-c1cccnc1 ZINC000787292985 585905639 /nfs/dbraw/zinc/90/56/39/585905639.db2.gz KCLUYSWKDBPQRL-UHFFFAOYSA-N -1 3 248.242 0.125 20 0 BCADHM O=C(CCc1ccc(O)cc1)[N-]OCCO ZINC000787293728 585905674 /nfs/dbraw/zinc/90/56/74/585905674.db2.gz KJGOODFHHJCQPI-UHFFFAOYSA-N -1 3 225.244 0.365 20 0 BCADHM O=C(Cc1ccc(F)c(F)c1)[N-]OCCO ZINC000787297620 585906257 /nfs/dbraw/zinc/90/62/57/585906257.db2.gz YGYDKZQMWBYFGY-UHFFFAOYSA-N -1 3 231.198 0.547 20 0 BCADHM NC(=O)c1ccc(C[N-]C(=O)C(F)F)o1 ZINC000787409670 585909123 /nfs/dbraw/zinc/90/91/23/585909123.db2.gz FFZUJKYTYOTENO-UHFFFAOYSA-N -1 3 218.159 0.260 20 0 BCADHM COC(=O)c1cnc(SC[C@@H](C)CO)[n-]1 ZINC000788506878 585925838 /nfs/dbraw/zinc/92/58/38/585925838.db2.gz YUJMYXICKPPCHN-LURJTMIESA-N -1 3 230.289 0.917 20 0 BCADHM COc1nn(C)cc1[N-]C(=O)C(F)(F)F ZINC000789863391 585952081 /nfs/dbraw/zinc/95/20/81/585952081.db2.gz UJZCVKOBJZTEJI-UHFFFAOYSA-N -1 3 223.154 0.930 20 0 BCADHM CONC(=O)c1c[n-]nc1-c1ccoc1 ZINC000789889306 585952282 /nfs/dbraw/zinc/95/22/82/585952282.db2.gz LCECZYBVUGAMSR-UHFFFAOYSA-N -1 3 207.189 0.961 20 0 BCADHM CONC(=O)c1cn[n-]c1-c1ccoc1 ZINC000789889306 585952283 /nfs/dbraw/zinc/95/22/83/585952283.db2.gz LCECZYBVUGAMSR-UHFFFAOYSA-N -1 3 207.189 0.961 20 0 BCADHM Cc1n[nH]nc1C(=O)Nc1nc(C)ccc1[O-] ZINC000790071932 585957133 /nfs/dbraw/zinc/95/71/33/585957133.db2.gz BCPKPYKJPAGHGL-UHFFFAOYSA-N -1 3 233.231 0.774 20 0 BCADHM COc1ccc(C(=O)Nc2c[nH]nn2)c([O-])c1 ZINC000790064511 585957274 /nfs/dbraw/zinc/95/72/74/585957274.db2.gz TUMIHYRBCXRURM-UHFFFAOYSA-N -1 3 234.215 0.771 20 0 BCADHM CC[C@@H](C)NC(=O)COC(=O)c1n[n-]nc1C ZINC000791048743 585972916 /nfs/dbraw/zinc/97/29/16/585972916.db2.gz ULKDVOZWIMYUBY-ZCFIWIBFSA-N -1 3 240.263 0.185 20 0 BCADHM O=C(NCc1noc2ccccc12)c1c[n-]nn1 ZINC000791182165 585974924 /nfs/dbraw/zinc/97/49/24/585974924.db2.gz XNFYJDSKQIZHKV-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM O=C(NCc1noc2ccccc12)c1cnn[n-]1 ZINC000791182165 585974925 /nfs/dbraw/zinc/97/49/25/585974925.db2.gz XNFYJDSKQIZHKV-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM O=C(NCc1noc2ccccc12)c1cn[n-]n1 ZINC000791182165 585974926 /nfs/dbraw/zinc/97/49/26/585974926.db2.gz XNFYJDSKQIZHKV-UHFFFAOYSA-N -1 3 243.226 0.876 20 0 BCADHM CO[C@@H](C)CC(=O)[N-]OCC(C)(C)O ZINC000791264671 585975635 /nfs/dbraw/zinc/97/56/35/585975635.db2.gz VWHAKQMFYRAJBD-ZETCQYMHSA-N -1 3 205.254 0.230 20 0 BCADHM CO[C@H](C)CC(=O)[N-]OCC(C)(C)O ZINC000791264660 585975783 /nfs/dbraw/zinc/97/57/83/585975783.db2.gz VWHAKQMFYRAJBD-SSDOTTSWSA-N -1 3 205.254 0.230 20 0 BCADHM CO[C@H](C(=O)[N-]C1=NCCS1)C1CC1 ZINC000791495108 585982008 /nfs/dbraw/zinc/98/20/08/585982008.db2.gz WBQNOEKFJTYKJZ-ZETCQYMHSA-N -1 3 214.290 0.630 20 0 BCADHM O=C(CN1CC(=O)[N-]C1=O)OCCCCCF ZINC000791885640 585990176 /nfs/dbraw/zinc/99/01/76/585990176.db2.gz MFXMBSHJABKMKT-UHFFFAOYSA-N -1 3 246.238 0.221 20 0 BCADHM C[C@](CO)(NC(=O)c1csc(=O)[n-]1)C1CC1 ZINC000792236982 585998259 /nfs/dbraw/zinc/99/82/59/585998259.db2.gz FJROFAFNPYZNKV-SNVBAGLBSA-N -1 3 242.300 0.740 20 0 BCADHM O=C(N[C@H](CCO)C1CC1)c1csc(=O)[n-]1 ZINC000792231490 585998472 /nfs/dbraw/zinc/99/84/72/585998472.db2.gz IXUSGLKKMUDRCZ-SSDOTTSWSA-N -1 3 242.300 0.740 20 0 BCADHM O=C(N[C@@H](CO)C1CC1)c1csc(=O)[n-]1 ZINC000792289248 585999153 /nfs/dbraw/zinc/99/91/53/585999153.db2.gz OCRGLDGTWFTFLB-LURJTMIESA-N -1 3 228.273 0.349 20 0 BCADHM COCCON=C([O-])Nc1ccnn1C ZINC000792364421 585999892 /nfs/dbraw/zinc/99/98/92/585999892.db2.gz YMKVZOPONNVLHY-UHFFFAOYSA-N -1 3 214.225 0.120 20 0 BCADHM COCCO[N-]C(=O)Nc1ccnn1C ZINC000792364421 585999893 /nfs/dbraw/zinc/99/98/93/585999893.db2.gz YMKVZOPONNVLHY-UHFFFAOYSA-N -1 3 214.225 0.120 20 0 BCADHM CC(C)(C)n1nccc1NC([O-])=NOCCO ZINC000792384327 586000274 /nfs/dbraw/zinc/00/02/74/586000274.db2.gz JREBAIFQCNLLGV-UHFFFAOYSA-N -1 3 242.279 0.684 20 0 BCADHM CC(C)(C)n1nccc1NC(=O)[N-]OCCO ZINC000792384327 586000275 /nfs/dbraw/zinc/00/02/75/586000275.db2.gz JREBAIFQCNLLGV-UHFFFAOYSA-N -1 3 242.279 0.684 20 0 BCADHM COCCO[N-]C(=O)CCc1cncn1C ZINC000793614161 586024207 /nfs/dbraw/zinc/02/42/07/586024207.db2.gz IGTVTXNDVZKWSM-UHFFFAOYSA-N -1 3 227.264 0.047 20 0 BCADHM C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]OCCO ZINC000793855764 586028019 /nfs/dbraw/zinc/02/80/19/586028019.db2.gz OPUBTWCYXICALU-HTQZYQBOSA-N -1 3 215.249 0.032 20 0 BCADHM COCCOCCC(=O)[N-]OCCSC ZINC000794181247 586034093 /nfs/dbraw/zinc/03/40/93/586034093.db2.gz RGWLCNBJEHXBAV-UHFFFAOYSA-N -1 3 237.321 0.450 20 0 BCADHM CSCCO[N-]C(=O)CCCn1cncn1 ZINC000794182289 586034284 /nfs/dbraw/zinc/03/42/84/586034284.db2.gz AYSMKJQNDLDSQN-UHFFFAOYSA-N -1 3 244.320 0.469 20 0 BCADHM CCNC(=O)CCCC(=O)[N-]OCCSC ZINC000794187695 586034329 /nfs/dbraw/zinc/03/43/29/586034329.db2.gz HJYCDFMZLRVYQE-UHFFFAOYSA-N -1 3 248.348 0.704 20 0 BCADHM COC(=O)C[C@@H](C)C(=O)[N-]OCCSC ZINC000794190079 586034726 /nfs/dbraw/zinc/03/47/26/586034726.db2.gz PSCIITJRJHMKMI-SSDOTTSWSA-N -1 3 235.305 0.596 20 0 BCADHM CC(C)([N-]C(=O)C(F)F)C(=O)N1CCCC1 ZINC000794405707 586039004 /nfs/dbraw/zinc/03/90/04/586039004.db2.gz ZYPBVCBPWSTTFW-UHFFFAOYSA-N -1 3 234.246 0.769 20 0 BCADHM CC[C@@H](C)CO[N-]C(=O)CCCCNC(N)=O ZINC000794848351 586050745 /nfs/dbraw/zinc/05/07/45/586050745.db2.gz BJWVLNCYLDJFAK-SECBINFHSA-N -1 3 245.323 0.919 20 0 BCADHM Fc1ncccc1CN=c1ncnc2[nH][n-]cc1-2 ZINC000794863893 586052206 /nfs/dbraw/zinc/05/22/06/586052206.db2.gz IPOIKQFMFKOYDS-UHFFFAOYSA-N -1 3 244.233 0.873 20 0 BCADHM CC(=O)CCC(=O)[N-]OCCOC(C)C ZINC000795073664 586067764 /nfs/dbraw/zinc/06/77/64/586067764.db2.gz IRHORJLBEGFBDT-UHFFFAOYSA-N -1 3 217.265 0.828 20 0 BCADHM C[C@@H]1[C@H](C(=O)[N-]OCC(N)=O)[C@H]1c1ccccc1 ZINC000797748544 586130560 /nfs/dbraw/zinc/13/05/60/586130560.db2.gz KEJHHSDFVNXZON-AXTRIDKLSA-N -1 3 248.282 0.569 20 0 BCADHM CCOC(=O)[C@@H](CCOC)[N-]C(=O)C(F)F ZINC000799071641 586155315 /nfs/dbraw/zinc/15/53/15/586155315.db2.gz OHAGWVIRKMTEBK-ZCFIWIBFSA-N -1 3 239.218 0.336 20 0 BCADHM CCn1cnnc1[N-]C(=O)C1=COCCO1 ZINC000803529909 586364981 /nfs/dbraw/zinc/36/49/81/586364981.db2.gz STYWSCYCAZCPSW-UHFFFAOYSA-N -1 3 224.220 0.125 20 0 BCADHM Cc1ccc(C(=O)NCCn2cnnn2)c([O-])c1 ZINC000807921096 586451332 /nfs/dbraw/zinc/45/13/32/586451332.db2.gz FLCNNRGDZKLEIH-UHFFFAOYSA-N -1 3 247.258 0.117 20 0 BCADHM CC(=O)CCC(=O)[N-]OCC(C)(C)O ZINC000807944833 586452511 /nfs/dbraw/zinc/45/25/11/586452511.db2.gz QXMOLECKQRBORA-UHFFFAOYSA-N -1 3 203.238 0.174 20 0 BCADHM CC(F)(F)C(=O)[N-]Cc1nnnn1C1CC1 ZINC000808464564 586474323 /nfs/dbraw/zinc/47/43/23/586474323.db2.gz SJZNVKYVMWABBF-UHFFFAOYSA-N -1 3 231.206 0.279 20 0 BCADHM CC(C)CCS(=O)(=O)[N-][C@@]1(C)CCOC1=O ZINC000810101744 586534227 /nfs/dbraw/zinc/53/42/27/586534227.db2.gz BORAJEDYYSLNBM-JTQLQIEISA-N -1 3 249.332 0.658 20 0 BCADHM C[C@]1([N-]S(=O)(=O)CCC2CC2)CCOC1=O ZINC000810102248 586534295 /nfs/dbraw/zinc/53/42/95/586534295.db2.gz GYYYJHZUDCIWQG-JTQLQIEISA-N -1 3 247.316 0.412 20 0 BCADHM COCCO[N-]C(=O)C1(CCF)CC1 ZINC000810479551 586539717 /nfs/dbraw/zinc/53/97/17/586539717.db2.gz QVIRRKDYVAYZRI-UHFFFAOYSA-N -1 3 205.229 0.820 20 0 BCADHM Cc1nc([C@@H](C)OC(=O)c2n[n-]nc2C)no1 ZINC000811206266 586557332 /nfs/dbraw/zinc/55/73/32/586557332.db2.gz SQHCWSZOALFGGN-RXMQYKEDSA-N -1 3 237.219 0.723 20 0 BCADHM CCc1cc(C(=O)OCC(=O)NC)ccc1[O-] ZINC000811307588 586558024 /nfs/dbraw/zinc/55/80/24/586558024.db2.gz SWNNSINPEZRGFG-UHFFFAOYSA-N -1 3 237.255 0.857 20 0 BCADHM CNC(=O)[C@H](CCSC)[N-]C(=O)C(F)F ZINC000811531296 586561044 /nfs/dbraw/zinc/56/10/44/586561044.db2.gz ZLGUFSGDXBPALU-YFKPBYRVSA-N -1 3 240.275 0.235 20 0 BCADHM CCCN(C)CC(=O)[N-]OCCCC(=O)OC ZINC000811559615 586561102 /nfs/dbraw/zinc/56/11/02/586561102.db2.gz HPVJGFMNYDQTJA-UHFFFAOYSA-N -1 3 246.307 0.329 20 0 BCADHM CC(C)OCCO[N-]C(=O)c1cnns1 ZINC000812315760 586573202 /nfs/dbraw/zinc/57/32/02/586573202.db2.gz BAWBASFGKBPVGU-UHFFFAOYSA-N -1 3 231.277 0.625 20 0 BCADHM CCOCCO[N-]C(=O)CCc1ncccn1 ZINC000812543196 586579139 /nfs/dbraw/zinc/57/91/39/586579139.db2.gz DSDASROQLBILQE-UHFFFAOYSA-N -1 3 239.275 0.494 20 0 BCADHM COCCCO[N-]C(=O)CCc1ncccn1 ZINC000812574943 586579526 /nfs/dbraw/zinc/57/95/26/586579526.db2.gz KLFATQOXFFQXEA-UHFFFAOYSA-N -1 3 239.275 0.494 20 0 BCADHM COC(=O)CCCC(=O)[N-]OC1CCC1 ZINC000812791134 586585344 /nfs/dbraw/zinc/58/53/44/586585344.db2.gz IHBDLJNBEUWIQR-UHFFFAOYSA-N -1 3 215.249 0.930 20 0 BCADHM NC(=O)c1ccc(CC(=O)[N-]OC2CCC2)cc1 ZINC000812792386 586585385 /nfs/dbraw/zinc/58/53/85/586585385.db2.gz XZCKPYGWISIBOM-UHFFFAOYSA-N -1 3 248.282 0.928 20 0 BCADHM CC(C)OCCON=C([O-])Nc1cccnn1 ZINC000812952022 586588884 /nfs/dbraw/zinc/58/88/84/586588884.db2.gz LKXJPXCAFUWRKA-UHFFFAOYSA-N -1 3 240.263 0.955 20 0 BCADHM CC(C)OCCO[N-]C(=O)Nc1cccnn1 ZINC000812952022 586588885 /nfs/dbraw/zinc/58/88/85/586588885.db2.gz LKXJPXCAFUWRKA-UHFFFAOYSA-N -1 3 240.263 0.955 20 0 BCADHM NC(=O)CO[N-]C(=O)[C@H]1CCCCCC(=O)C1 ZINC000813509502 586602688 /nfs/dbraw/zinc/60/26/88/586602688.db2.gz WMRWMFMPCMDHNP-QMMMGPOBSA-N -1 3 242.275 0.059 20 0 BCADHM CCc1cc(C(=O)Nn2cnnc2)ccc1[O-] ZINC000813505900 586602836 /nfs/dbraw/zinc/60/28/36/586602836.db2.gz MFSPVBCDZLEJLT-UHFFFAOYSA-N -1 3 232.243 0.930 20 0 BCADHM O=C(C[C@H](O)Cc1ccccc1)[N-]OCCO ZINC000813524804 586602937 /nfs/dbraw/zinc/60/29/37/586602937.db2.gz HDYPKNCZEWPVGP-LLVKDONJSA-N -1 3 239.271 0.020 20 0 BCADHM COC(=O)c1cc(C(=O)OCCCCO)c[n-]1 ZINC000814530733 586623773 /nfs/dbraw/zinc/62/37/73/586623773.db2.gz YJSVQETZAJRRPX-UHFFFAOYSA-N -1 3 241.243 0.731 20 0 BCADHM COC(=O)c1cc(C(=O)O[C@@H](C)C(C)=O)c[n-]1 ZINC000814530481 586623972 /nfs/dbraw/zinc/62/39/72/586623972.db2.gz VASUBKKYICXPNJ-ZETCQYMHSA-N -1 3 239.227 0.936 20 0 BCADHM CC(F)(F)C(=O)[N-]C1(C(N)=O)CCCCC1 ZINC000815075285 586665089 /nfs/dbraw/zinc/66/50/89/586665089.db2.gz VDIUERSBVZNICZ-UHFFFAOYSA-N -1 3 234.246 0.946 20 0 BCADHM COC(=O)c1ccc(C(=O)N(C)c2cn[nH]c2)[n-]1 ZINC000815737947 586692776 /nfs/dbraw/zinc/69/27/76/586692776.db2.gz DKHDCSJMMFNEMK-UHFFFAOYSA-N -1 3 248.242 0.801 20 0 BCADHM COC(=O)[C@@]1([N-]C(=O)C(C)(F)F)CCOC1 ZINC000815780592 586693842 /nfs/dbraw/zinc/69/38/42/586693842.db2.gz CCRYEEMIOVCGIU-SECBINFHSA-N -1 3 237.202 0.090 20 0 BCADHM COC(=O)c1cc(C(=O)Oc2cnn(C)c2)c[n-]1 ZINC000815991262 586702300 /nfs/dbraw/zinc/70/23/00/586702300.db2.gz WVWCTEWQXHISKC-UHFFFAOYSA-N -1 3 249.226 0.754 20 0 BCADHM O=C(Nc1ncccc1[O-])[C@@H]1CCNC(=O)CC1 ZINC000816052597 586705771 /nfs/dbraw/zinc/70/57/71/586705771.db2.gz CNFDRPPIJOBZQX-QMMMGPOBSA-N -1 3 249.270 0.642 20 0 BCADHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)[N-]OCC(C)(C)O ZINC000816383157 586722674 /nfs/dbraw/zinc/72/26/74/586722674.db2.gz JUTUJRXYFKPKKG-DTWKUNHWSA-N -1 3 243.303 0.810 20 0 BCADHM CC(C)(O)CO[N-]C(=O)CC[C@@H]1CCCO1 ZINC000816381825 586722713 /nfs/dbraw/zinc/72/27/13/586722713.db2.gz WYNPOGDCPVXQPZ-VIFPVBQESA-N -1 3 231.292 0.764 20 0 BCADHM C[C@H]1C(=O)CC[C@@H]1CC(=O)[N-]OCC(C)(C)O ZINC000816383159 586722824 /nfs/dbraw/zinc/72/28/24/586722824.db2.gz JUTUJRXYFKPKKG-RKDXNWHRSA-N -1 3 243.303 0.810 20 0 BCADHM CCn1nnc(C)c1CNC(C)(C)C(=O)[O-] ZINC000859809290 589062391 /nfs/dbraw/zinc/06/23/91/589062391.db2.gz QSGQAUWYTIGJNT-UHFFFAOYSA-N -1 3 226.280 0.559 20 0 BCADHM CC1(C)COC(=O)[C@H]1[N-]C(=O)C(F)F ZINC000816585688 586742978 /nfs/dbraw/zinc/74/29/78/586742978.db2.gz PHOFYHZFSPFYOB-SCSAIBSYSA-N -1 3 207.176 0.319 20 0 BCADHM CC(C)[C@](C)([N-]C(=O)C(C)(F)F)C(N)=O ZINC000816644254 586748136 /nfs/dbraw/zinc/74/81/36/586748136.db2.gz GTBNPEIGQHVPMV-QMMMGPOBSA-N -1 3 222.235 0.658 20 0 BCADHM O=C([N-]c1nnc2[nH]cnn12)C1=COCCC1 ZINC000816655571 586753175 /nfs/dbraw/zinc/75/31/75/586753175.db2.gz JUNGEUOBTOXCCT-UHFFFAOYSA-N -1 3 234.219 0.085 20 0 BCADHM Cn1cnc([N-]C(=O)c2cncc(Cl)n2)n1 ZINC000816746217 586761822 /nfs/dbraw/zinc/76/18/22/586761822.db2.gz NLUSTQVJTGEMIF-UHFFFAOYSA-N -1 3 238.638 0.511 20 0 BCADHM O=C(C[C@H]1CCC(=O)N1)Nc1ccccc1[O-] ZINC000816831573 586766851 /nfs/dbraw/zinc/76/68/51/586766851.db2.gz YGOVHINQRCNZEE-MRVPVSSYSA-N -1 3 234.255 0.999 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)CCc1nnc[nH]1 ZINC000816979336 586774952 /nfs/dbraw/zinc/77/49/52/586774952.db2.gz MTTJIJLDHYQBES-QMMMGPOBSA-N -1 3 226.280 0.831 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1CCC(=O)NC1 ZINC000816976058 586776290 /nfs/dbraw/zinc/77/62/90/586776290.db2.gz VIJKBZVYVSVTJZ-DTWKUNHWSA-N -1 3 228.292 0.607 20 0 BCADHM CC[C@H](C)CO[N-]C(=O)[C@@H]1CCNC(=O)C1 ZINC000816979324 586777706 /nfs/dbraw/zinc/77/77/06/586777706.db2.gz MOTJUQCOSFEYLN-DTWKUNHWSA-N -1 3 228.292 0.607 20 0 BCADHM Cn1cc(Cl)c(COC(=O)c2cnn[n-]2)n1 ZINC000817188317 586784966 /nfs/dbraw/zinc/78/49/66/586784966.db2.gz KXBNGUJRVYMJHE-UHFFFAOYSA-N -1 3 241.638 0.549 20 0 BCADHM Cn1cc(Cl)c(COC(=O)c2c[n-]nn2)n1 ZINC000817188317 586784968 /nfs/dbraw/zinc/78/49/68/586784968.db2.gz KXBNGUJRVYMJHE-UHFFFAOYSA-N -1 3 241.638 0.549 20 0 BCADHM O=C([N-]OCC1CC1)[C@@H]1CCn2ccnc2C1 ZINC000817329823 586795433 /nfs/dbraw/zinc/79/54/33/586795433.db2.gz DYVQCJIHPMLNSV-SNVBAGLBSA-N -1 3 235.287 0.903 20 0 BCADHM C[C@@]1(CCC(=O)[N-]OCC2CC2)CCC(=O)N1 ZINC000817358680 586799099 /nfs/dbraw/zinc/79/90/99/586799099.db2.gz YDCNJNVLOIDSHZ-LBPRGKRZSA-N -1 3 240.303 0.893 20 0 BCADHM Cn1cc(CC(=O)[N-]OCCC2CC2)cn1 ZINC000817382970 586799660 /nfs/dbraw/zinc/79/96/60/586799660.db2.gz AQEYMYHWAQLDFE-UHFFFAOYSA-N -1 3 223.276 0.811 20 0 BCADHM CC(C)N(C)C(=O)[C@@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000817727989 586821652 /nfs/dbraw/zinc/82/16/52/586821652.db2.gz QQAWMJNNBJCUOD-ZJUUUORDSA-N -1 3 242.319 0.648 20 0 BCADHM CC(C)=C(C)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000817847451 586830998 /nfs/dbraw/zinc/83/09/98/586830998.db2.gz VUPPFALQXSMAIU-UHFFFAOYSA-N -1 3 242.319 0.818 20 0 BCADHM CO[C@@H](C)CNC(=O)c1ccc(N)cc1[O-] ZINC000817996470 586863375 /nfs/dbraw/zinc/86/33/75/586863375.db2.gz CFPDTTRRDOQUMS-ZETCQYMHSA-N -1 3 224.260 0.739 20 0 BCADHM C[C@@H](NCc1ccc(C(=O)N(C)C)[nH]1)C(=O)[O-] ZINC000818053531 586867486 /nfs/dbraw/zinc/86/74/86/586867486.db2.gz QHKRZSFRYCXUFW-SSDOTTSWSA-N -1 3 239.275 0.279 20 0 BCADHM CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N(C)C ZINC000818132316 586876173 /nfs/dbraw/zinc/87/61/73/586876173.db2.gz QSJBMYXHHDESBJ-DTWKUNHWSA-N -1 3 228.292 0.260 20 0 BCADHM CN(CCNC(=O)OC(C)(C)C)CCC(=O)[O-] ZINC000818469931 586893576 /nfs/dbraw/zinc/89/35/76/586893576.db2.gz MZXZAWYEOCDMJK-UHFFFAOYSA-N -1 3 246.307 0.918 20 0 BCADHM OCc1cccc(N=c2ncnc3[nH][n-]cc2-3)c1 ZINC000818716161 586910143 /nfs/dbraw/zinc/91/01/43/586910143.db2.gz XSOXLRMXIQZIQI-UHFFFAOYSA-N -1 3 241.254 0.962 20 0 BCADHM Cc1ncc(CNCCCC(=O)[O-])cn1 ZINC000819012525 586923310 /nfs/dbraw/zinc/92/33/10/586923310.db2.gz UUCUDDMRMGLGQI-UHFFFAOYSA-N -1 3 209.249 0.739 20 0 BCADHM Cc1nn(C)c(N(C)C)c1CNCCC(=O)[O-] ZINC000819023681 586925208 /nfs/dbraw/zinc/92/52/08/586925208.db2.gz WRZWPOWRCSXNSN-UHFFFAOYSA-N -1 3 240.307 0.359 20 0 BCADHM O=C([O-])[C@H]1CCN(CN2C(=O)CC23CCC3)C1 ZINC000819287311 586948490 /nfs/dbraw/zinc/94/84/90/586948490.db2.gz QTARUYZLXPHXIY-VIFPVBQESA-N -1 3 238.287 0.505 20 0 BCADHM COCCO[N-]C(=O)C[C@H](C)n1cccn1 ZINC000819354178 586954568 /nfs/dbraw/zinc/95/45/68/586954568.db2.gz IVCCLEHBAFZLBH-VIFPVBQESA-N -1 3 227.264 0.528 20 0 BCADHM COCCCO[N-]C(=O)C[C@H](C)n1cccn1 ZINC000819533332 586974550 /nfs/dbraw/zinc/97/45/50/586974550.db2.gz JCJOTHRTFHGDFI-JTQLQIEISA-N -1 3 241.291 0.919 20 0 BCADHM CC(C)(O)CO[N-]C(=O)/C=C/c1ccncn1 ZINC000819541687 586975342 /nfs/dbraw/zinc/97/53/42/586975342.db2.gz FVTMJURRIURTFT-ONEGZZNKSA-N -1 3 237.259 0.309 20 0 BCADHM CC(C)(CO)O[N-]C(=O)/C=C\[C@@H]1CCCO1 ZINC000819556659 586976741 /nfs/dbraw/zinc/97/67/41/586976741.db2.gz PPGKPLOTMVMXSG-UDIARPCQSA-N -1 3 229.276 0.540 20 0 BCADHM O=C([N-][C@@H]1CC[C@H]1O)C(F)(F)c1nccs1 ZINC000819685201 586985483 /nfs/dbraw/zinc/98/54/83/586985483.db2.gz KWLNUTXJTPLBFQ-PHDIDXHHSA-N -1 3 248.254 0.874 20 0 BCADHM CO[C@@H](C)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819766456 586991638 /nfs/dbraw/zinc/99/16/38/586991638.db2.gz OKQISZLLTFLXMA-RITPCOANSA-N -1 3 202.279 0.629 20 0 BCADHM CC(=O)N(C)CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819767287 586991752 /nfs/dbraw/zinc/99/17/52/586991752.db2.gz ZOFJMXHGCHLZDQ-ZCFIWIBFSA-N -1 3 229.305 0.072 20 0 BCADHM CC(=O)N1CC(C(=O)[N-]C2=NC[C@H](C)S2)C1 ZINC000819781085 586993694 /nfs/dbraw/zinc/99/36/94/586993694.db2.gz JAGQFSQMECXYJB-LURJTMIESA-N -1 3 241.316 0.072 20 0 BCADHM CCc1ccc(C(=O)N[C@@H]2COC(=O)C2)c([O-])c1 ZINC000820078062 587018787 /nfs/dbraw/zinc/01/87/87/587018787.db2.gz JVPYBRJQZGVBRU-VIFPVBQESA-N -1 3 249.266 1.000 20 0 BCADHM CC(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820081418 587019120 /nfs/dbraw/zinc/01/91/20/587019120.db2.gz FNFXAUPOOPEFPK-UHFFFAOYSA-N -1 3 248.290 0.923 20 0 BCADHM CC(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820081418 587019121 /nfs/dbraw/zinc/01/91/21/587019121.db2.gz FNFXAUPOOPEFPK-UHFFFAOYSA-N -1 3 248.290 0.923 20 0 BCADHM C[C@@H](CC(=O)[O-])NCc1ccc(C(N)=O)nc1 ZINC000820083787 587019789 /nfs/dbraw/zinc/01/97/89/587019789.db2.gz ILFHHYDLBGEWHV-ZETCQYMHSA-N -1 3 237.259 0.133 20 0 BCADHM CC1(C)CN(C(=O)C2CC2)CCN1CC(=O)[O-] ZINC000820212024 587035114 /nfs/dbraw/zinc/03/51/14/587035114.db2.gz UAIMXGNDIZCFNN-UHFFFAOYSA-N -1 3 240.303 0.404 20 0 BCADHM C[C@H]1CN(CC(=O)NCC(=O)[O-])CC[C@@H]1C ZINC000820238052 587037648 /nfs/dbraw/zinc/03/76/48/587037648.db2.gz IQVBYFSAZLTYHA-IUCAKERBSA-N -1 3 228.292 0.165 20 0 BCADHM C[C@@H](CCO)NCc1ccc(-c2nnn[n-]2)o1 ZINC000820248168 587038111 /nfs/dbraw/zinc/03/81/11/587038111.db2.gz DEWRTYQNNBXCCO-ZETCQYMHSA-N -1 3 237.263 0.320 20 0 BCADHM C[C@H](O)CCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC000820473437 587050509 /nfs/dbraw/zinc/05/05/09/587050509.db2.gz COYIVBQYPIEAND-QMMMGPOBSA-N -1 3 248.290 0.469 20 0 BCADHM C[C@H](O)CCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC000820473437 587050510 /nfs/dbraw/zinc/05/05/10/587050510.db2.gz COYIVBQYPIEAND-QMMMGPOBSA-N -1 3 248.290 0.469 20 0 BCADHM CCc1cc(CN[C@H](C)CC(=O)[O-])[nH]n1 ZINC000820474366 587050572 /nfs/dbraw/zinc/05/05/72/587050572.db2.gz SORGKYJAJLJMFV-SSDOTTSWSA-N -1 3 211.265 0.925 20 0 BCADHM CN(C)C1(C(=O)NCCCCC(=O)[O-])CCC1 ZINC000820535907 587052940 /nfs/dbraw/zinc/05/29/40/587052940.db2.gz VXKYEMLQHDJGSI-UHFFFAOYSA-N -1 3 242.319 0.842 20 0 BCADHM CN(CC(=O)[O-])Cc1cnc2cnccn12 ZINC000820569116 587055283 /nfs/dbraw/zinc/05/52/83/587055283.db2.gz KOMVKYSDZIFRGN-UHFFFAOYSA-N -1 3 220.232 0.246 20 0 BCADHM CN(C)c1ncc(CN(C)CC(=O)[O-])cn1 ZINC000820569121 587055626 /nfs/dbraw/zinc/05/56/26/587055626.db2.gz LAQXOPAJFXQZNG-UHFFFAOYSA-N -1 3 224.264 0.059 20 0 BCADHM CC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000820618575 587059611 /nfs/dbraw/zinc/05/96/11/587059611.db2.gz IQMJBWFLPKFYQN-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM CC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000820618575 587059612 /nfs/dbraw/zinc/05/96/12/587059612.db2.gz IQMJBWFLPKFYQN-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM O=C(N[C@H](CCO)C1CC1)c1cc(=O)[n-]cn1 ZINC000860158085 589083196 /nfs/dbraw/zinc/08/31/96/589083196.db2.gz IWQQSNNCYZXBDH-MRVPVSSYSA-N -1 3 237.259 0.073 20 0 BCADHM COC(=O)[C@H](C1CC1)N1CC[C@H](C(=O)[O-])C1 ZINC000820653188 587062740 /nfs/dbraw/zinc/06/27/40/587062740.db2.gz AKVDTCQTSPMVMA-IUCAKERBSA-N -1 3 227.260 0.345 20 0 BCADHM COC(=O)c1ccc(CN(C)[C@@H](C)C(=O)[O-])[nH]1 ZINC000820680319 587065822 /nfs/dbraw/zinc/06/58/22/587065822.db2.gz RWHVDDIJYKAHGE-ZETCQYMHSA-N -1 3 240.259 0.706 20 0 BCADHM C[C@H]1C[C@H]1NCc1ccc(-c2nnn[n-]2)o1 ZINC000820678051 587065830 /nfs/dbraw/zinc/06/58/30/587065830.db2.gz SKSLUGDJXOLAOD-POYBYMJQSA-N -1 3 219.248 0.958 20 0 BCADHM COC(=O)c1ccc(CN(C)CC(=O)[O-])[nH]1 ZINC000820680339 587065865 /nfs/dbraw/zinc/06/58/65/587065865.db2.gz SVUMKDIGSYCNOC-UHFFFAOYSA-N -1 3 226.232 0.318 20 0 BCADHM CO[C@@H]1CC[C@H]2OCCN(CC(=O)[O-])[C@@H]2C1 ZINC000820703207 587067556 /nfs/dbraw/zinc/06/75/56/587067556.db2.gz RQRVWWCXYOEYRE-OPRDCNLKSA-N -1 3 229.276 0.339 20 0 BCADHM C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)C1CC1 ZINC000820783798 587072291 /nfs/dbraw/zinc/07/22/91/587072291.db2.gz NHYGMSQOCOCLGE-ZCFIWIBFSA-N -1 3 240.350 0.347 20 0 BCADHM COc1ccc(CN2CC[C@H](C(=O)[O-])C2)nc1 ZINC000820832685 587075302 /nfs/dbraw/zinc/07/53/02/587075302.db2.gz YDQIEYVBHKEUHZ-VIFPVBQESA-N -1 3 236.271 0.997 20 0 BCADHM COc1ccc(CN(C)[C@@H](C)C(=O)[O-])nc1 ZINC000820832523 587075469 /nfs/dbraw/zinc/07/54/69/587075469.db2.gz RRMONBMQAUUHOR-QMMMGPOBSA-N -1 3 224.260 0.995 20 0 BCADHM CC[C@H](O)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC000820931384 587082648 /nfs/dbraw/zinc/08/26/48/587082648.db2.gz FTVSNWANBYSKNP-VIFPVBQESA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@H](O)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC000820931384 587082650 /nfs/dbraw/zinc/08/26/50/587082650.db2.gz FTVSNWANBYSKNP-VIFPVBQESA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@H](O)CCNc1ncccc1-c1nnn[n-]1 ZINC000820931364 587082881 /nfs/dbraw/zinc/08/28/81/587082881.db2.gz FOMSQXMLVBZZQW-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@H](O)CCNc1ncccc1-c1nn[n-]n1 ZINC000820931364 587082882 /nfs/dbraw/zinc/08/28/82/587082882.db2.gz FOMSQXMLVBZZQW-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821114287 587097106 /nfs/dbraw/zinc/09/71/06/587097106.db2.gz NHJBLVQKAPLYPT-UHFFFAOYSA-N -1 3 220.236 0.335 20 0 BCADHM CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821114287 587097107 /nfs/dbraw/zinc/09/71/07/587097107.db2.gz NHJBLVQKAPLYPT-UHFFFAOYSA-N -1 3 220.236 0.335 20 0 BCADHM CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821160258 587099616 /nfs/dbraw/zinc/09/96/16/587099616.db2.gz IENHCOLJWHXNIK-UHFFFAOYSA-N -1 3 220.236 0.287 20 0 BCADHM CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821160258 587099618 /nfs/dbraw/zinc/09/96/18/587099618.db2.gz IENHCOLJWHXNIK-UHFFFAOYSA-N -1 3 220.236 0.287 20 0 BCADHM CCN(CCOC)c1ccc(-c2nnn[n-]2)nc1 ZINC000821215822 587102587 /nfs/dbraw/zinc/10/25/87/587102587.db2.gz VYFRJKPNWASUQV-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM CCN(CCOC)c1ccc(-c2nn[n-]n2)nc1 ZINC000821215822 587102588 /nfs/dbraw/zinc/10/25/88/587102588.db2.gz VYFRJKPNWASUQV-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM CCOc1ccc(-c2nnn[n-]2)cc1NCCO ZINC000821412167 587118027 /nfs/dbraw/zinc/11/80/27/587118027.db2.gz JAECTKHAYBHWPB-UHFFFAOYSA-N -1 3 249.274 0.670 20 0 BCADHM CCOc1ccc(-c2nn[n-]n2)cc1NCCO ZINC000821412167 587118029 /nfs/dbraw/zinc/11/80/29/587118029.db2.gz JAECTKHAYBHWPB-UHFFFAOYSA-N -1 3 249.274 0.670 20 0 BCADHM O=C([O-])C[C@@H]1CCCN(CC2OCCO2)C1 ZINC000821516400 587124492 /nfs/dbraw/zinc/12/44/92/587124492.db2.gz QZCVCJPIESGWHK-VIFPVBQESA-N -1 3 229.276 0.546 20 0 BCADHM O=C([O-])[C@@H]1CCN(Cc2ccc(CO)o2)C1 ZINC000821511727 587124388 /nfs/dbraw/zinc/12/43/88/587124388.db2.gz PSQYYMACYQSTCC-MRVPVSSYSA-N -1 3 225.244 0.678 20 0 BCADHM O=C([O-])CCCN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000821524270 587125439 /nfs/dbraw/zinc/12/54/39/587125439.db2.gz ZWVASNNHZOZGLB-WDEREUQCSA-N -1 3 243.303 0.731 20 0 BCADHM O=C([O-])CCCN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000821524267 587125455 /nfs/dbraw/zinc/12/54/55/587125455.db2.gz ZWVASNNHZOZGLB-GHMZBOCLSA-N -1 3 243.303 0.731 20 0 BCADHM O=C([O-])CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000821530089 587126383 /nfs/dbraw/zinc/12/63/83/587126383.db2.gz XWMQDLGZLVMNAP-JTQLQIEISA-N -1 3 240.303 0.594 20 0 BCADHM O=C([O-])CN1CCN(c2cncc(F)c2)CC1 ZINC000821531636 587126747 /nfs/dbraw/zinc/12/67/47/587126747.db2.gz NBEYRVWQTGCPAU-UHFFFAOYSA-N -1 3 239.250 0.427 20 0 BCADHM C[C@@]1(C(=O)[N-]c2nnnn2C2CC2)CCCO1 ZINC000821667688 587134322 /nfs/dbraw/zinc/13/43/22/587134322.db2.gz WEUNFYULWUAVIB-JTQLQIEISA-N -1 3 237.263 0.516 20 0 BCADHM CO[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000821697683 587134473 /nfs/dbraw/zinc/13/44/73/587134473.db2.gz MASNSCIZTCGUBL-MRVPVSSYSA-N -1 3 246.274 0.487 20 0 BCADHM CO[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000821697683 587134474 /nfs/dbraw/zinc/13/44/74/587134474.db2.gz MASNSCIZTCGUBL-MRVPVSSYSA-N -1 3 246.274 0.487 20 0 BCADHM CON(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821696472 587134588 /nfs/dbraw/zinc/13/45/88/587134588.db2.gz DRXZPWQEEATCRP-UHFFFAOYSA-N -1 3 239.260 0.562 20 0 BCADHM CON(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821696472 587134590 /nfs/dbraw/zinc/13/45/90/587134590.db2.gz DRXZPWQEEATCRP-UHFFFAOYSA-N -1 3 239.260 0.562 20 0 BCADHM CONC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821697733 587134711 /nfs/dbraw/zinc/13/47/11/587134711.db2.gz OPNAUEYMDNDLJM-UHFFFAOYSA-N -1 3 225.233 0.219 20 0 BCADHM CONC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821697733 587134713 /nfs/dbraw/zinc/13/47/13/587134713.db2.gz OPNAUEYMDNDLJM-UHFFFAOYSA-N -1 3 225.233 0.219 20 0 BCADHM CO[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC000821697684 587134855 /nfs/dbraw/zinc/13/48/55/587134855.db2.gz MASNSCIZTCGUBL-QMMMGPOBSA-N -1 3 246.274 0.487 20 0 BCADHM CO[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC000821697684 587134856 /nfs/dbraw/zinc/13/48/56/587134856.db2.gz MASNSCIZTCGUBL-QMMMGPOBSA-N -1 3 246.274 0.487 20 0 BCADHM COC(OC)C(=O)[N-]c1nnc2n1CCCC2 ZINC000821792005 587138343 /nfs/dbraw/zinc/13/83/43/587138343.db2.gz DEAWXVGNQZQNMF-UHFFFAOYSA-N -1 3 240.263 0.172 20 0 BCADHM C[C@@H](O)CCNCc1ccc(-c2nnn[n-]2)o1 ZINC000822000304 587148803 /nfs/dbraw/zinc/14/88/03/587148803.db2.gz GWNZLWPNVXTSJE-SSDOTTSWSA-N -1 3 237.263 0.320 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000822054953 587150466 /nfs/dbraw/zinc/15/04/66/587150466.db2.gz ITPBWTRLSITGES-RKDXNWHRSA-N -1 3 239.275 0.598 20 0 BCADHM CCOCCO[N-]C(=O)[C@@H]1CC[C@@H]1C(=O)OC ZINC000822056568 587150763 /nfs/dbraw/zinc/15/07/63/587150763.db2.gz XLBCANYAPVQENN-BDAKNGLRSA-N -1 3 245.275 0.270 20 0 BCADHM Cc1c(NCCO)cccc1-c1nnn[n-]1 ZINC000822122540 587154889 /nfs/dbraw/zinc/15/48/89/587154889.db2.gz NSOCNLHMGAZEQP-UHFFFAOYSA-N -1 3 219.248 0.579 20 0 BCADHM Cc1c(NCCO)cccc1-c1nn[n-]n1 ZINC000822122540 587154890 /nfs/dbraw/zinc/15/48/90/587154890.db2.gz NSOCNLHMGAZEQP-UHFFFAOYSA-N -1 3 219.248 0.579 20 0 BCADHM C[C@H](C(=O)[N-]OC[C@H]1CCOC1)N(C)C ZINC000822348554 587163765 /nfs/dbraw/zinc/16/37/65/587163765.db2.gz MKPZNZDSWYQGOC-BDAKNGLRSA-N -1 3 216.281 0.021 20 0 BCADHM CO[N-]C(=O)C[C@@H](CNC(C)=O)CC(C)C ZINC000822381563 587165009 /nfs/dbraw/zinc/16/50/09/587165009.db2.gz AYHWBQIDEXRBQK-JTQLQIEISA-N -1 3 230.308 0.853 20 0 BCADHM Cc1nnnn1Cc1ccccc1-c1nnn[n-]1 ZINC000822519683 587172690 /nfs/dbraw/zinc/17/26/90/587172690.db2.gz KQMSKVONRODLKW-UHFFFAOYSA-N -1 3 242.246 0.210 20 0 BCADHM Cc1nnnn1Cc1ccccc1-c1nn[n-]n1 ZINC000822519683 587172692 /nfs/dbraw/zinc/17/26/92/587172692.db2.gz KQMSKVONRODLKW-UHFFFAOYSA-N -1 3 242.246 0.210 20 0 BCADHM COC(OC)C(=O)[N-]c1nnc(C)n1C1CC1 ZINC000822803910 587186500 /nfs/dbraw/zinc/18/65/00/587186500.db2.gz OUICPJXPKNKWLU-UHFFFAOYSA-N -1 3 240.263 0.479 20 0 BCADHM O=CN1CCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000823045718 587199724 /nfs/dbraw/zinc/19/97/24/587199724.db2.gz ZUIRWJOZDKFYET-JTQLQIEISA-N -1 3 234.255 0.952 20 0 BCADHM CC(C)(CO)O[N-]C(=O)c1c(F)cncc1F ZINC000823301712 587214779 /nfs/dbraw/zinc/21/47/79/587214779.db2.gz HQOUELYJMZBYEL-UHFFFAOYSA-N -1 3 246.213 0.792 20 0 BCADHM CO[C@@H]1C[C@H]1C(=O)[N-]C1=NC[C@H](C)S1 ZINC000823306270 587215436 /nfs/dbraw/zinc/21/54/36/587215436.db2.gz MALQHOKTLLPLAC-RRKCRQDMSA-N -1 3 214.290 0.629 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H]1CCCCN1C ZINC000823381506 587219074 /nfs/dbraw/zinc/21/90/74/587219074.db2.gz UOWONGUSGWOBBZ-WDEREUQCSA-N -1 3 244.335 0.535 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CN1CCCC1 ZINC000823381573 587219121 /nfs/dbraw/zinc/21/91/21/587219121.db2.gz WFOGUWUMHYBBRN-JTQLQIEISA-N -1 3 230.308 0.147 20 0 BCADHM CC(=O)CCN1CCC[C@H]1CNC(=O)[O-] ZINC000823533277 587229924 /nfs/dbraw/zinc/22/99/24/587229924.db2.gz QQRGMHIKBCGPOO-VIFPVBQESA-N -1 3 214.265 0.698 20 0 BCADHM OCCNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823722489 587238126 /nfs/dbraw/zinc/23/81/26/587238126.db2.gz RNQASEQVSUTMER-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM OCCNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823722489 587238127 /nfs/dbraw/zinc/23/81/27/587238127.db2.gz RNQASEQVSUTMER-UHFFFAOYSA-N -1 3 239.666 0.924 20 0 BCADHM c1cc(CNc2ccc(-c3nnn[n-]3)nc2)no1 ZINC000823751425 587239058 /nfs/dbraw/zinc/23/90/58/587239058.db2.gz JORSJGMXRWAVTQ-UHFFFAOYSA-N -1 3 243.230 0.862 20 0 BCADHM c1cc(CNc2ccc(-c3nn[n-]n3)nc2)no1 ZINC000823751425 587239060 /nfs/dbraw/zinc/23/90/60/587239060.db2.gz JORSJGMXRWAVTQ-UHFFFAOYSA-N -1 3 243.230 0.862 20 0 BCADHM c1cc(-c2nnn[n-]2)oc1CNC[C@@H]1CCCO1 ZINC000823747910 587239097 /nfs/dbraw/zinc/23/90/97/587239097.db2.gz MAJGWGFCUBCPRF-QMMMGPOBSA-N -1 3 249.274 0.728 20 0 BCADHM c1cc(-c2nn[n-]n2)oc1CNC[C@@H]1CCCO1 ZINC000823747910 587239098 /nfs/dbraw/zinc/23/90/98/587239098.db2.gz MAJGWGFCUBCPRF-QMMMGPOBSA-N -1 3 249.274 0.728 20 0 BCADHM COC(OC)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000823806918 587241164 /nfs/dbraw/zinc/24/11/64/587241164.db2.gz KUMKENOYXSMSBM-YFKPBYRVSA-N -1 3 218.278 0.213 20 0 BCADHM CC(C)(C)n1cc(CNCCNC(=O)[O-])cn1 ZINC000823875802 587245326 /nfs/dbraw/zinc/24/53/26/587245326.db2.gz FHTFLRQYVNSNFX-UHFFFAOYSA-N -1 3 240.307 0.995 20 0 BCADHM CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823987634 587247741 /nfs/dbraw/zinc/24/77/41/587247741.db2.gz ARLXJHOFEXFIES-UHFFFAOYSA-N -1 3 243.270 0.992 20 0 BCADHM CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823987634 587247743 /nfs/dbraw/zinc/24/77/43/587247743.db2.gz ARLXJHOFEXFIES-UHFFFAOYSA-N -1 3 243.270 0.992 20 0 BCADHM CC(C)C(=O)NCCN[C@H]1CCN(C(=O)[O-])C1 ZINC000824044207 587251376 /nfs/dbraw/zinc/25/13/76/587251376.db2.gz QGZLZBFFDZITIW-VIFPVBQESA-N -1 3 243.307 0.101 20 0 BCADHM CC(C)(C)NC(=O)Cn1ccc(-c2nnn[n-]2)c1 ZINC000824094020 587254703 /nfs/dbraw/zinc/25/47/03/587254703.db2.gz OZQAEQLCMMEQEA-UHFFFAOYSA-N -1 3 248.290 0.583 20 0 BCADHM CC(C)(C)NC(=O)Cn1ccc(-c2nn[n-]n2)c1 ZINC000824094020 587254704 /nfs/dbraw/zinc/25/47/04/587254704.db2.gz OZQAEQLCMMEQEA-UHFFFAOYSA-N -1 3 248.290 0.583 20 0 BCADHM CC(C)[C@H](CNCc1cnnn1C)NC(=O)[O-] ZINC000824124703 587257212 /nfs/dbraw/zinc/25/72/12/587257212.db2.gz ZIDWANBYMPOZKZ-VIFPVBQESA-N -1 3 241.295 0.197 20 0 BCADHM CC(C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824255420 587263252 /nfs/dbraw/zinc/26/32/52/587263252.db2.gz ITAAKQCMDYNYIJ-UHFFFAOYSA-N -1 3 248.290 0.923 20 0 BCADHM CC(C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824255420 587263253 /nfs/dbraw/zinc/26/32/53/587263253.db2.gz ITAAKQCMDYNYIJ-UHFFFAOYSA-N -1 3 248.290 0.923 20 0 BCADHM C[C@@H](CCO)CNc1cnccc1-c1nnn[n-]1 ZINC000824406443 587269767 /nfs/dbraw/zinc/26/97/67/587269767.db2.gz JYJMGCDZMISNAB-QMMMGPOBSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@@H](CCO)CNc1cnccc1-c1nn[n-]n1 ZINC000824406443 587269769 /nfs/dbraw/zinc/26/97/69/587269769.db2.gz JYJMGCDZMISNAB-QMMMGPOBSA-N -1 3 248.290 0.692 20 0 BCADHM C[C@H](CC(=O)N1CCCN(C)CC1)NC(=O)[O-] ZINC000824591599 587278580 /nfs/dbraw/zinc/27/85/80/587278580.db2.gz QBPKJFVJQXLLHF-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM C[C@@H](O)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000824698070 587283570 /nfs/dbraw/zinc/28/35/70/587283570.db2.gz ILXQJEZAGNRRDB-HTQZYQBOSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@@H](O)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000824698070 587283572 /nfs/dbraw/zinc/28/35/72/587283572.db2.gz ILXQJEZAGNRRDB-HTQZYQBOSA-N -1 3 248.290 0.833 20 0 BCADHM C[C@H](CCNCc1ccnn1C)NC(=O)[O-] ZINC000824801228 587288150 /nfs/dbraw/zinc/28/81/50/587288150.db2.gz BFFLMBBBUXMNBD-MRVPVSSYSA-N -1 3 226.280 0.556 20 0 BCADHM CC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824822302 587288662 /nfs/dbraw/zinc/28/86/62/587288662.db2.gz CLTDQPBSWRHXFK-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM CC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824822302 587288664 /nfs/dbraw/zinc/28/86/64/587288664.db2.gz CLTDQPBSWRHXFK-UHFFFAOYSA-N -1 3 246.274 0.725 20 0 BCADHM CC1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC000824892539 587291926 /nfs/dbraw/zinc/29/19/26/587291926.db2.gz KAVCZDDFDBSOLC-UHFFFAOYSA-N -1 3 246.274 0.723 20 0 BCADHM CC1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC000824892539 587291928 /nfs/dbraw/zinc/29/19/28/587291928.db2.gz KAVCZDDFDBSOLC-UHFFFAOYSA-N -1 3 246.274 0.723 20 0 BCADHM C[C@H](CNC(=O)CC1CN(C(=O)[O-])C1)N(C)C ZINC000824923049 587293562 /nfs/dbraw/zinc/29/35/62/587293562.db2.gz WBTHVNULAYEXEA-MRVPVSSYSA-N -1 3 243.307 0.053 20 0 BCADHM CCn1ccc(NC([O-])=NOCCOC)n1 ZINC000824948784 587294719 /nfs/dbraw/zinc/29/47/19/587294719.db2.gz HGVOOOUTAMCOTO-UHFFFAOYSA-N -1 3 228.252 0.603 20 0 BCADHM CCn1ccc(NC(=O)[N-]OCCOC)n1 ZINC000824948784 587294720 /nfs/dbraw/zinc/29/47/20/587294720.db2.gz HGVOOOUTAMCOTO-UHFFFAOYSA-N -1 3 228.252 0.603 20 0 BCADHM C[C@@](CNC(=O)[O-])(NCCF)C1CC1 ZINC000824953385 587294729 /nfs/dbraw/zinc/29/47/29/587294729.db2.gz VRXXBPGWVBMIHO-VIFPVBQESA-N -1 3 204.245 0.982 20 0 BCADHM C[C@H](CNC(=O)[O-])N(C)CCC(C)(C)O ZINC000824967397 587296008 /nfs/dbraw/zinc/29/60/08/587296008.db2.gz RPHNOSLLOBEGIR-MRVPVSSYSA-N -1 3 218.297 0.735 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2)C[C@H]1O ZINC000824992232 587297569 /nfs/dbraw/zinc/29/75/69/587297569.db2.gz KXNIHGYHJNWBHI-LDYMZIIASA-N -1 3 245.286 0.684 20 0 BCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2)C[C@H]1O ZINC000824992232 587297571 /nfs/dbraw/zinc/29/75/71/587297571.db2.gz KXNIHGYHJNWBHI-LDYMZIIASA-N -1 3 245.286 0.684 20 0 BCADHM C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC000824999125 587298332 /nfs/dbraw/zinc/29/83/32/587298332.db2.gz COEBLQOPYQVBJW-APPZFPTMSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC000824999125 587298333 /nfs/dbraw/zinc/29/83/33/587298333.db2.gz COEBLQOPYQVBJW-APPZFPTMSA-N -1 3 246.274 0.079 20 0 BCADHM C[C@H]1OCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000825021478 587299186 /nfs/dbraw/zinc/29/91/86/587299186.db2.gz RBAMHPGPCLHHMI-VXNVDRBHSA-N -1 3 246.274 0.851 20 0 BCADHM C[C@H]1OCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000825021478 587299188 /nfs/dbraw/zinc/29/91/88/587299188.db2.gz RBAMHPGPCLHHMI-VXNVDRBHSA-N -1 3 246.274 0.851 20 0 BCADHM C/C=C/COC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825029001 587299598 /nfs/dbraw/zinc/29/95/98/587299598.db2.gz LNSMIPRMRHJRBX-NSCUHMNNSA-N -1 3 233.231 0.928 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](O)C1CC1)C2 ZINC000825041283 587299943 /nfs/dbraw/zinc/29/99/43/587299943.db2.gz XVTXQFSCIVCNLV-SNVBAGLBSA-N -1 3 249.270 0.104 20 0 BCADHM CC[C@H](O)CCNc1cnccc1-c1nnn[n-]1 ZINC000825152875 587307327 /nfs/dbraw/zinc/30/73/27/587307327.db2.gz DVWRFHRJZBIANH-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@H](O)CCNc1cnccc1-c1nn[n-]n1 ZINC000825152875 587307329 /nfs/dbraw/zinc/30/73/29/587307329.db2.gz DVWRFHRJZBIANH-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CCC[C@H](O)CNc1cnccc1-c1nnn[n-]1 ZINC000825248732 587310767 /nfs/dbraw/zinc/31/07/67/587310767.db2.gz XPXMZPVSYUHWHO-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CCC[C@H](O)CNc1cnccc1-c1nn[n-]n1 ZINC000825248732 587310769 /nfs/dbraw/zinc/31/07/69/587310769.db2.gz XPXMZPVSYUHWHO-QMMMGPOBSA-N -1 3 248.290 0.835 20 0 BCADHM CC1(C(=O)NCCCc2c[n-][nH]c2=O)CC=CC1 ZINC000825276493 587312387 /nfs/dbraw/zinc/31/23/87/587312387.db2.gz CWRJHZLBOMIJRY-JTQLQIEISA-N -1 3 249.314 0.971 20 0 BCADHM CCCNC(=O)Cn1ccc(-c2nnn[n-]2)c1 ZINC000825331841 587315310 /nfs/dbraw/zinc/31/53/10/587315310.db2.gz ACJKJLBCZKMHHA-UHFFFAOYSA-N -1 3 234.263 0.194 20 0 BCADHM CCCNC(=O)Cn1ccc(-c2nn[n-]n2)c1 ZINC000825331841 587315312 /nfs/dbraw/zinc/31/53/12/587315312.db2.gz ACJKJLBCZKMHHA-UHFFFAOYSA-N -1 3 234.263 0.194 20 0 BCADHM CCN(CCO)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825425033 587319067 /nfs/dbraw/zinc/31/90/67/587319067.db2.gz YJGWAEYZOOPWKL-UHFFFAOYSA-N -1 3 237.263 0.274 20 0 BCADHM CCN(CCO)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825425033 587319069 /nfs/dbraw/zinc/31/90/69/587319069.db2.gz YJGWAEYZOOPWKL-UHFFFAOYSA-N -1 3 237.263 0.274 20 0 BCADHM C[C@H](NCCCNC(=O)[O-])c1cnn(C)c1 ZINC000825496352 587321236 /nfs/dbraw/zinc/32/12/36/587321236.db2.gz PAMRIOICQFSPSI-QMMMGPOBSA-N -1 3 226.280 0.728 20 0 BCADHM CCOCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC000825594289 587326725 /nfs/dbraw/zinc/32/67/25/587326725.db2.gz JPJKIJUKMVWHRX-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM CCOCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC000825594289 587326726 /nfs/dbraw/zinc/32/67/26/587326726.db2.gz JPJKIJUKMVWHRX-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM C/C(=C\CN(C)CCN1CCCC1=O)C(=O)[O-] ZINC000825729233 587334252 /nfs/dbraw/zinc/33/42/52/587334252.db2.gz CCEJTJHZWIPFNJ-BJMVGYQFSA-N -1 3 240.303 0.572 20 0 BCADHM C[C@@H]1CCN(CCNC(=O)CN(C)C(=O)[O-])C1 ZINC000825951620 587346950 /nfs/dbraw/zinc/34/69/50/587346950.db2.gz YZXKZWFRGVPUSI-SECBINFHSA-N -1 3 243.307 0.054 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N1C2CCC1CC2 ZINC000825999666 587348043 /nfs/dbraw/zinc/34/80/43/587348043.db2.gz GTKFUJNBEUVZEA-UEJVZZJDSA-N -1 3 226.276 0.203 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(C)(C)C1 ZINC000826001150 587348170 /nfs/dbraw/zinc/34/81/70/587348170.db2.gz SRXNHTZWCIJTQV-QMMMGPOBSA-N -1 3 228.292 0.308 20 0 BCADHM Cc1cn(C)nc1NC([O-])=NOC(C)(C)CO ZINC000826029714 587348867 /nfs/dbraw/zinc/34/88/67/587348867.db2.gz JQGAVZWKIBDUFE-UHFFFAOYSA-N -1 3 242.279 0.553 20 0 BCADHM Cc1cn(C)nc1NC(=O)[N-]OC(C)(C)CO ZINC000826029714 587348868 /nfs/dbraw/zinc/34/88/68/587348868.db2.gz JQGAVZWKIBDUFE-UHFFFAOYSA-N -1 3 242.279 0.553 20 0 BCADHM CCOCCON=C([O-])Nc1nn(C)cc1C ZINC000826042976 587349118 /nfs/dbraw/zinc/34/91/18/587349118.db2.gz BGPDPBUPDIUTEO-UHFFFAOYSA-N -1 3 242.279 0.818 20 0 BCADHM CCOCCO[N-]C(=O)Nc1nn(C)cc1C ZINC000826042976 587349119 /nfs/dbraw/zinc/34/91/19/587349119.db2.gz BGPDPBUPDIUTEO-UHFFFAOYSA-N -1 3 242.279 0.818 20 0 BCADHM C[C@H](C(=O)[O-])[C@@H](NCC(N)=O)c1ccccc1 ZINC000826055351 587349752 /nfs/dbraw/zinc/34/97/52/587349752.db2.gz ZFTKLVVYGAKBLR-GZMMTYOYSA-N -1 3 236.271 0.523 20 0 BCADHM CON(C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826166333 587351078 /nfs/dbraw/zinc/35/10/78/587351078.db2.gz GKMQFUUTVJSYPE-UHFFFAOYSA-N -1 3 237.238 0.999 20 0 BCADHM CON(C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826166333 587351079 /nfs/dbraw/zinc/35/10/79/587351079.db2.gz GKMQFUUTVJSYPE-UHFFFAOYSA-N -1 3 237.238 0.999 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCOC2)n1 ZINC000826275517 587351407 /nfs/dbraw/zinc/35/14/07/587351407.db2.gz BQKFPZUWZRCQJO-QMMMGPOBSA-N -1 3 246.274 0.771 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCOC2)n1 ZINC000826275517 587351408 /nfs/dbraw/zinc/35/14/08/587351408.db2.gz BQKFPZUWZRCQJO-QMMMGPOBSA-N -1 3 246.274 0.771 20 0 BCADHM CON(C)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000826166515 587351559 /nfs/dbraw/zinc/35/15/59/587351559.db2.gz OHWRTWYAHTXVMC-UHFFFAOYSA-N -1 3 237.238 0.999 20 0 BCADHM CON(C)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000826166515 587351560 /nfs/dbraw/zinc/35/15/60/587351560.db2.gz OHWRTWYAHTXVMC-UHFFFAOYSA-N -1 3 237.238 0.999 20 0 BCADHM COc1ccc(CN(C)OC)cc1-c1nnn[n-]1 ZINC000826193140 587351743 /nfs/dbraw/zinc/35/17/43/587351743.db2.gz RCFUIDGZYNHZER-UHFFFAOYSA-N -1 3 249.274 0.869 20 0 BCADHM COc1ccc(CN(C)OC)cc1-c1nn[n-]n1 ZINC000826193140 587351744 /nfs/dbraw/zinc/35/17/44/587351744.db2.gz RCFUIDGZYNHZER-UHFFFAOYSA-N -1 3 249.274 0.869 20 0 BCADHM Cc1ccnc(NC(C)(C)CO)c1-c1nnn[n-]1 ZINC000826311765 587351976 /nfs/dbraw/zinc/35/19/76/587351976.db2.gz MSBWFZJGAQJLPJ-UHFFFAOYSA-N -1 3 248.290 0.753 20 0 BCADHM Cc1ccnc(NC(C)(C)CO)c1-c1nn[n-]n1 ZINC000826311765 587351977 /nfs/dbraw/zinc/35/19/77/587351977.db2.gz MSBWFZJGAQJLPJ-UHFFFAOYSA-N -1 3 248.290 0.753 20 0 BCADHM O=C(O[C@H]1CCOC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826463005 587352725 /nfs/dbraw/zinc/35/27/25/587352725.db2.gz PMYFSROTDYTEKP-ZETCQYMHSA-N -1 3 249.230 0.141 20 0 BCADHM O=C(O[C@H]1CCOC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826463005 587352726 /nfs/dbraw/zinc/35/27/26/587352726.db2.gz PMYFSROTDYTEKP-ZETCQYMHSA-N -1 3 249.230 0.141 20 0 BCADHM O=C(O[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826463022 587352779 /nfs/dbraw/zinc/35/27/79/587352779.db2.gz PTDXQHFUHMTABE-ZCFIWIBFSA-N -1 3 249.230 0.141 20 0 BCADHM O=C(NCCCF)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826437050 587352813 /nfs/dbraw/zinc/35/28/13/587352813.db2.gz UMIFGNQFOLNPSA-UHFFFAOYSA-N -1 3 238.226 0.284 20 0 BCADHM O=C(NCCCF)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826437050 587352814 /nfs/dbraw/zinc/35/28/14/587352814.db2.gz UMIFGNQFOLNPSA-UHFFFAOYSA-N -1 3 238.226 0.284 20 0 BCADHM OCC1(NCc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826508442 587353012 /nfs/dbraw/zinc/35/30/12/587353012.db2.gz PGCLJIOJAZJWAF-UHFFFAOYSA-N -1 3 235.247 0.074 20 0 BCADHM OCC1(NCc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826508442 587353013 /nfs/dbraw/zinc/35/30/13/587353013.db2.gz PGCLJIOJAZJWAF-UHFFFAOYSA-N -1 3 235.247 0.074 20 0 BCADHM O=C(Nc1cnoc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826459346 587353210 /nfs/dbraw/zinc/35/32/10/587353210.db2.gz GKRWPGVKHBGVJJ-UHFFFAOYSA-N -1 3 245.202 0.435 20 0 BCADHM O=C(Nc1cnoc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826459346 587353211 /nfs/dbraw/zinc/35/32/11/587353211.db2.gz GKRWPGVKHBGVJJ-UHFFFAOYSA-N -1 3 245.202 0.435 20 0 BCADHM O=C(OC1CCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826462039 587353271 /nfs/dbraw/zinc/35/32/71/587353271.db2.gz MRBVRPDLRCQMRG-UHFFFAOYSA-N -1 3 233.231 0.904 20 0 BCADHM O=C(OC1CCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826462039 587353272 /nfs/dbraw/zinc/35/32/72/587353272.db2.gz MRBVRPDLRCQMRG-UHFFFAOYSA-N -1 3 233.231 0.904 20 0 BCADHM O=C(OCC(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826463042 587353375 /nfs/dbraw/zinc/35/33/75/587353375.db2.gz QJILIOLGKSUMGD-UHFFFAOYSA-N -1 3 243.173 0.617 20 0 BCADHM O=C(OCC(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826463042 587353376 /nfs/dbraw/zinc/35/33/76/587353376.db2.gz QJILIOLGKSUMGD-UHFFFAOYSA-N -1 3 243.173 0.617 20 0 BCADHM O[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826510639 587353422 /nfs/dbraw/zinc/35/34/22/587353422.db2.gz BVTJPKNIXKSOIE-SSDOTTSWSA-N -1 3 235.247 0.026 20 0 BCADHM O[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826510639 587353423 /nfs/dbraw/zinc/35/34/23/587353423.db2.gz BVTJPKNIXKSOIE-SSDOTTSWSA-N -1 3 235.247 0.026 20 0 BCADHM c1cc(-c2nnn[n-]2)c(NC2CCOCC2)cn1 ZINC000826513011 587353639 /nfs/dbraw/zinc/35/36/39/587353639.db2.gz WZVOIMXUGBXXEW-UHFFFAOYSA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(-c2nn[n-]n2)c(NC2CCOCC2)cn1 ZINC000826513011 587353640 /nfs/dbraw/zinc/35/36/40/587353640.db2.gz WZVOIMXUGBXXEW-UHFFFAOYSA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(-c2nnn[n-]2)c(NC[C@@H]2CCCO2)cn1 ZINC000826512944 587353857 /nfs/dbraw/zinc/35/38/57/587353857.db2.gz UWWQQIIMXYBWCL-QMMMGPOBSA-N -1 3 246.274 0.853 20 0 BCADHM c1cc(-c2nn[n-]n2)c(NC[C@@H]2CCCO2)cn1 ZINC000826512944 587353858 /nfs/dbraw/zinc/35/38/58/587353858.db2.gz UWWQQIIMXYBWCL-QMMMGPOBSA-N -1 3 246.274 0.853 20 0 BCADHM CC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826625807 587357047 /nfs/dbraw/zinc/35/70/47/587357047.db2.gz JZQLJGRRBKBXMZ-VWYCJHECSA-N -1 3 242.319 0.974 20 0 BCADHM CC(C)(O)CCN1CC[C@](F)(C(=O)[O-])C1 ZINC000826636783 587357143 /nfs/dbraw/zinc/35/71/43/587357143.db2.gz KTGQADAKOUUHFX-SNVBAGLBSA-N -1 3 219.256 0.646 20 0 BCADHM CC(C)(O)CN1CC[C@](F)(C(=O)[O-])C1 ZINC000826636941 587357488 /nfs/dbraw/zinc/35/74/88/587357488.db2.gz WHIXTXCQBQJRFS-SECBINFHSA-N -1 3 205.229 0.256 20 0 BCADHM CC(C)N(C)CC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000826930514 587365841 /nfs/dbraw/zinc/36/58/41/587365841.db2.gz TWGLWWUELMNHTI-NSHDSACASA-N -1 3 246.282 0.352 20 0 BCADHM CCN(C[C@@H]1CCOC1)C1CN(C(=O)[O-])C1 ZINC000827112234 587370167 /nfs/dbraw/zinc/37/01/67/587370167.db2.gz YLUAMECWCCXBHY-VIFPVBQESA-N -1 3 228.292 0.707 20 0 BCADHM CCN(C[C@H]1CCOC1)C1CN(C(=O)[O-])C1 ZINC000827112233 587370259 /nfs/dbraw/zinc/37/02/59/587370259.db2.gz YLUAMECWCCXBHY-SECBINFHSA-N -1 3 228.292 0.707 20 0 BCADHM CCN(CCNC(=O)[O-])[C@H](C)COC ZINC000827146523 587371098 /nfs/dbraw/zinc/37/10/98/587371098.db2.gz QKMDGPPJPQTNNS-MRVPVSSYSA-N -1 3 204.270 0.611 20 0 BCADHM CCN1C[C@@H](C)[C@H](NC(=O)CN(C)C(=O)[O-])C1 ZINC000827198322 587372441 /nfs/dbraw/zinc/37/24/41/587372441.db2.gz HGDQJLXCGCLHBR-RKDXNWHRSA-N -1 3 243.307 0.053 20 0 BCADHM CCN1CCC[C@@H]1CN(C)C(=O)CNC(=O)[O-] ZINC000827215215 587373035 /nfs/dbraw/zinc/37/30/35/587373035.db2.gz OLJXJLSXDHDWDC-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM C[C@H](CC(=O)[O-])C(=O)N1CC[C@@H](N(C)C)C1 ZINC000827256557 587374519 /nfs/dbraw/zinc/37/45/19/587374519.db2.gz JAGHDBKIQNTFBG-RKDXNWHRSA-N -1 3 228.292 0.260 20 0 BCADHM CCOC(=O)CCN1CCC[C@H]1CNC(=O)[O-] ZINC000827305238 587376239 /nfs/dbraw/zinc/37/62/39/587376239.db2.gz FCRLZYNGMRNCFG-VIFPVBQESA-N -1 3 244.291 0.672 20 0 BCADHM CCOC(=O)CCN1CCC[C@@H]1CNC(=O)[O-] ZINC000827305237 587376454 /nfs/dbraw/zinc/37/64/54/587376454.db2.gz FCRLZYNGMRNCFG-SECBINFHSA-N -1 3 244.291 0.672 20 0 BCADHM CCOC[C@H](O)CN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000827387631 587379148 /nfs/dbraw/zinc/37/91/48/587379148.db2.gz FWRSGKRBDDUBPW-NXEZZACHSA-N -1 3 246.307 0.068 20 0 BCADHM CCOC[C@@H](O)CN1CCC[C@H]1CNC(=O)[O-] ZINC000827390318 587379535 /nfs/dbraw/zinc/37/95/35/587379535.db2.gz ZAIKDVFXRXEMCS-UWVGGRQHSA-N -1 3 246.307 0.116 20 0 BCADHM CCOCCN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827399902 587379864 /nfs/dbraw/zinc/37/98/64/587379864.db2.gz SKMNVZDRDCFKIK-SECBINFHSA-N -1 3 216.281 0.707 20 0 BCADHM CC(F)(F)C(C)(C)C(=O)[N-]N1CN=NC1=O ZINC000827713818 587398217 /nfs/dbraw/zinc/39/82/17/587398217.db2.gz LDTMWSWTEOLTCX-UHFFFAOYSA-N -1 3 234.206 0.735 20 0 BCADHM CNC(=O)CN(C)Cc1c(F)ccc([O-])c1F ZINC000827862663 587405856 /nfs/dbraw/zinc/40/58/56/587405856.db2.gz MXRRVESKHKAKNG-UHFFFAOYSA-N -1 3 244.241 0.848 20 0 BCADHM CN(C(=O)[O-])[C@@H]1CCN(CCCCO)C1 ZINC000827890912 587408310 /nfs/dbraw/zinc/40/83/10/587408310.db2.gz WWFSGHJOSCMJOP-SECBINFHSA-N -1 3 216.281 0.443 20 0 BCADHM C[C@]1(C(=O)[O-])CCN(CN2CCCC2=O)C1 ZINC000828028904 587416981 /nfs/dbraw/zinc/41/69/81/587416981.db2.gz HQRJDXJYLUKGJC-NSHDSACASA-N -1 3 226.276 0.363 20 0 BCADHM C[C@@H]1CC(=O)N(CN2C[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000828149902 587421744 /nfs/dbraw/zinc/42/17/44/587421744.db2.gz NWIAFXHOPOOVPS-KXUCPTDWSA-N -1 3 240.303 0.465 20 0 BCADHM C[C@@H]1CC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1 ZINC000828149271 587421758 /nfs/dbraw/zinc/42/17/58/587421758.db2.gz IVTHLKWQNDECCN-NXEZZACHSA-N -1 3 240.303 0.751 20 0 BCADHM CN(C[C@@H]1CCCN1CCOCCO)C(=O)[O-] ZINC000828223489 587425091 /nfs/dbraw/zinc/42/50/91/587425091.db2.gz MSZYBJWTBQUTGK-JTQLQIEISA-N -1 3 246.307 0.070 20 0 BCADHM CCC(F)(F)C(=O)[N-][C@H]1CCN(C)C1=O ZINC000828385807 587439624 /nfs/dbraw/zinc/43/96/24/587439624.db2.gz IFASTRYKKMXECN-LURJTMIESA-N -1 3 220.219 0.379 20 0 BCADHM C[C@@H](C(=O)NCC(=O)[O-])N1C[C@H](C)[C@H](C)C1 ZINC000828420737 587441411 /nfs/dbraw/zinc/44/14/11/587441411.db2.gz CPZFONJMRAZBRZ-YIZRAAEISA-N -1 3 228.292 0.164 20 0 BCADHM C[C@H]1CN(CN2CCOC2=S)C[C@@H]1C(=O)[O-] ZINC000828457294 587443433 /nfs/dbraw/zinc/44/34/33/587443433.db2.gz SIFOTPKKBAXHPW-YUMQZZPRSA-N -1 3 244.316 0.214 20 0 BCADHM C[C@H]1CN(CN2CCCC2=O)C[C@H]1C(=O)[O-] ZINC000828456446 587443653 /nfs/dbraw/zinc/44/36/53/587443653.db2.gz LOUOAETXOYQANA-DTWKUNHWSA-N -1 3 226.276 0.219 20 0 BCADHM CC[C@H](C(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1)N(C)C ZINC000828586907 587451548 /nfs/dbraw/zinc/45/15/48/587451548.db2.gz LDBJUBIPESXYHK-KXUCPTDWSA-N -1 3 242.319 0.506 20 0 BCADHM CC[C@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])N(C)C ZINC000828587160 587451607 /nfs/dbraw/zinc/45/16/07/587451607.db2.gz OAPLNOKFQFLQRT-NXEZZACHSA-N -1 3 242.319 0.792 20 0 BCADHM CC[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)N(C)C ZINC000828586268 587451734 /nfs/dbraw/zinc/45/17/34/587451734.db2.gz CLICNPSRJSASHC-NXEZZACHSA-N -1 3 242.319 0.650 20 0 BCADHM CC[C@@H](C(=O)[O-])N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000828595435 587452365 /nfs/dbraw/zinc/45/23/65/587452365.db2.gz YNTNSVSXWONFGU-BDAKNGLRSA-N -1 3 249.332 0.216 20 0 BCADHM CC[C@@H](C(=O)N(C)CCCC(=O)[O-])N(C)C ZINC000828587378 587452472 /nfs/dbraw/zinc/45/24/72/587452472.db2.gz REGMHDUOUQMTFV-VIFPVBQESA-N -1 3 230.308 0.650 20 0 BCADHM COC(=O)/C(C)=C/CN(C)CCCNC(=O)[O-] ZINC000828599705 587452653 /nfs/dbraw/zinc/45/26/53/587452653.db2.gz CGUZFPYVKUSCLW-WEVVVXLNSA-N -1 3 244.291 0.695 20 0 BCADHM CC[C@](C)(CC(=O)[O-])NCc1cnnn1C ZINC000828665616 587456333 /nfs/dbraw/zinc/45/63/33/587456333.db2.gz VHMAHSZLPUHLSB-SNVBAGLBSA-N -1 3 226.280 0.548 20 0 BCADHM COC(=O)CCCN1CCC[C@@H]1CNC(=O)[O-] ZINC000828671313 587456559 /nfs/dbraw/zinc/45/65/59/587456559.db2.gz SHWOJJLOPTYRLI-SECBINFHSA-N -1 3 244.291 0.672 20 0 BCADHM CC[C@@](C)(CC(=O)[O-])NCc1nncn1C ZINC000828671399 587456603 /nfs/dbraw/zinc/45/66/03/587456603.db2.gz CKCJJQLSVFJIQU-JTQLQIEISA-N -1 3 226.280 0.548 20 0 BCADHM CC[C@H](C)[C@@H](NCC(=O)N(CC)CC)C(=O)[O-] ZINC000828737079 587459311 /nfs/dbraw/zinc/45/93/11/587459311.db2.gz KMLPHBXUGXKHHD-GXSJLCMTSA-N -1 3 244.335 0.944 20 0 BCADHM CO[C@H](C)[C@H](C)NC1CN(C(=O)[O-])C1 ZINC000828824324 587464892 /nfs/dbraw/zinc/46/48/92/587464892.db2.gz QHUPVZAWIWYONM-NKWVEPMBSA-N -1 3 202.254 0.362 20 0 BCADHM COC[C@@H](C)N1CCCN(C(=O)[O-])CC1 ZINC000828897305 587469480 /nfs/dbraw/zinc/46/94/80/587469480.db2.gz RKLWIAYTGJGLPW-SECBINFHSA-N -1 3 216.281 0.707 20 0 BCADHM COC[C@H](CC(C)C)NC1CN(C(=O)[O-])C1 ZINC000828903666 587470425 /nfs/dbraw/zinc/47/04/25/587470425.db2.gz PEGLEMFZOQYIMM-VIFPVBQESA-N -1 3 230.308 0.999 20 0 BCADHM CC[C@H](O)CN1CCN([C@@H](CC)C(=O)[O-])CC1 ZINC000829004214 587478968 /nfs/dbraw/zinc/47/89/68/587478968.db2.gz CJEZZEXICGOHCP-QWRGUYRKSA-N -1 3 244.335 0.238 20 0 BCADHM COCCOCCN1CCC[C@H]1CNC(=O)[O-] ZINC000829001942 587479019 /nfs/dbraw/zinc/47/90/19/587479019.db2.gz ITOLNYAEXYNIQW-JTQLQIEISA-N -1 3 246.307 0.381 20 0 BCADHM CCc1nc(CN=c2ncnc3[nH][n-]cc2-3)co1 ZINC000829177973 587486668 /nfs/dbraw/zinc/48/66/68/587486668.db2.gz UYDKZPXXIDDNGX-UHFFFAOYSA-N -1 3 244.258 0.889 20 0 BCADHM CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000829459193 587499005 /nfs/dbraw/zinc/49/90/05/587499005.db2.gz VBQMCLNEODDRCY-UWVGGRQHSA-N -1 3 242.319 0.507 20 0 BCADHM CCSCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000829560557 587503256 /nfs/dbraw/zinc/50/32/56/587503256.db2.gz NUZKTORGILVKNO-ZCFIWIBFSA-N -1 3 238.334 0.104 20 0 BCADHM COCCO[N-]C(=O)C[C@H](C)[C@H]1CCCO1 ZINC000829683031 587509418 /nfs/dbraw/zinc/50/94/18/587509418.db2.gz QSWPEBALQRTHNB-VHSXEESVSA-N -1 3 231.292 0.886 20 0 BCADHM CCN1C[C@@H](C)[C@@H](NC(=O)CCC(=O)[O-])C1 ZINC000829746162 587513383 /nfs/dbraw/zinc/51/33/83/587513383.db2.gz VVPKJALFVRKMSR-BDAKNGLRSA-N -1 3 228.292 0.308 20 0 BCADHM CCc1nnc(CNC(C)(C)CC(=O)[O-])n1C ZINC000830335037 587546521 /nfs/dbraw/zinc/54/65/21/587546521.db2.gz INYWRRGGVCCJCO-UHFFFAOYSA-N -1 3 240.307 0.720 20 0 BCADHM CCOc1nc(NC(=O)[C@@H](C)SC)n[n-]1 ZINC000830396991 587549427 /nfs/dbraw/zinc/54/94/27/587549427.db2.gz CDUMHSRGEVGMJN-RXMQYKEDSA-N -1 3 230.293 0.893 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H](C)SC)[n-]1 ZINC000830396991 587549430 /nfs/dbraw/zinc/54/94/30/587549430.db2.gz CDUMHSRGEVGMJN-RXMQYKEDSA-N -1 3 230.293 0.893 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H](C)SC)n1 ZINC000830396991 587549431 /nfs/dbraw/zinc/54/94/31/587549431.db2.gz CDUMHSRGEVGMJN-RXMQYKEDSA-N -1 3 230.293 0.893 20 0 BCADHM CCOc1nc(NC(=O)C=C(C)COC)n[n-]1 ZINC000830403923 587550320 /nfs/dbraw/zinc/55/03/20/587550320.db2.gz PJFGYBCWCWNGLE-ALCCZGGFSA-N -1 3 240.263 0.735 20 0 BCADHM CCOc1nnc(NC(=O)C=C(C)COC)[n-]1 ZINC000830403923 587550321 /nfs/dbraw/zinc/55/03/21/587550321.db2.gz PJFGYBCWCWNGLE-ALCCZGGFSA-N -1 3 240.263 0.735 20 0 BCADHM CCOc1n[n-]c(NC(=O)/C=C(/C)COC)n1 ZINC000830403923 587550322 /nfs/dbraw/zinc/55/03/22/587550322.db2.gz PJFGYBCWCWNGLE-ALCCZGGFSA-N -1 3 240.263 0.735 20 0 BCADHM CCOc1nc(NC(=O)COC(F)F)n[n-]1 ZINC000830403077 587550335 /nfs/dbraw/zinc/55/03/35/587550335.db2.gz AQTMEXJASLUAJU-UHFFFAOYSA-N -1 3 236.178 0.381 20 0 BCADHM CCOc1nnc(NC(=O)COC(F)F)[n-]1 ZINC000830403077 587550336 /nfs/dbraw/zinc/55/03/36/587550336.db2.gz AQTMEXJASLUAJU-UHFFFAOYSA-N -1 3 236.178 0.381 20 0 BCADHM CCOc1n[n-]c(NC(=O)COC(F)F)n1 ZINC000830403077 587550337 /nfs/dbraw/zinc/55/03/37/587550337.db2.gz AQTMEXJASLUAJU-UHFFFAOYSA-N -1 3 236.178 0.381 20 0 BCADHM CCOc1nnc(NC(=O)C=CCOC)[n-]1 ZINC000830403094 587550377 /nfs/dbraw/zinc/55/03/77/587550377.db2.gz ATBVMUIKIUFUIA-SNAWJCMRSA-N -1 3 226.236 0.345 20 0 BCADHM CCOc1nc(NC(=O)C=CCOC)n[n-]1 ZINC000830403094 587550378 /nfs/dbraw/zinc/55/03/78/587550378.db2.gz ATBVMUIKIUFUIA-SNAWJCMRSA-N -1 3 226.236 0.345 20 0 BCADHM CCOc1n[n-]c(NC(=O)/C=C/COC)n1 ZINC000830403094 587550379 /nfs/dbraw/zinc/55/03/79/587550379.db2.gz ATBVMUIKIUFUIA-SNAWJCMRSA-N -1 3 226.236 0.345 20 0 BCADHM Cc1ncc(CNCC(C)(C)NC(=O)[O-])cn1 ZINC000830809727 587571712 /nfs/dbraw/zinc/57/17/12/587571712.db2.gz XJPOUBLZCKALDR-UHFFFAOYSA-N -1 3 238.291 0.921 20 0 BCADHM CNC(=O)C1(NC/C=C(\C)C(=O)[O-])CCCC1 ZINC000830978429 587579751 /nfs/dbraw/zinc/57/97/51/587579751.db2.gz APCNLEGBYSUPEH-WEVVVXLNSA-N -1 3 240.303 0.666 20 0 BCADHM Cn1cc(CNCC(C)(C)NC(=O)[O-])cn1 ZINC000831004292 587581786 /nfs/dbraw/zinc/58/17/86/587581786.db2.gz GPFYEBDESHUOCI-UHFFFAOYSA-N -1 3 226.280 0.556 20 0 BCADHM CCC(F)(F)C(=O)[N-]Cc1ncn(C)n1 ZINC000831552817 587618858 /nfs/dbraw/zinc/61/88/58/587618858.db2.gz XETPACXOZOLJBL-UHFFFAOYSA-N -1 3 218.207 0.477 20 0 BCADHM CCc1nocc1C(=O)Nc1nnc(OC)[n-]1 ZINC000831567061 587619450 /nfs/dbraw/zinc/61/94/50/587619450.db2.gz ZXDAFKWKWUCKDI-UHFFFAOYSA-N -1 3 237.219 0.616 20 0 BCADHM CCc1nocc1C(=O)Nc1nc(OC)n[n-]1 ZINC000831567061 587619452 /nfs/dbraw/zinc/61/94/52/587619452.db2.gz ZXDAFKWKWUCKDI-UHFFFAOYSA-N -1 3 237.219 0.616 20 0 BCADHM CCCON=C([O-])Nc1cccc(C(N)=O)n1 ZINC000831570997 587620429 /nfs/dbraw/zinc/62/04/29/587620429.db2.gz MOEOKACTUCTPSI-UHFFFAOYSA-N -1 3 238.247 0.644 20 0 BCADHM CCCO[N-]C(=O)Nc1cccc(C(N)=O)n1 ZINC000831570997 587620431 /nfs/dbraw/zinc/62/04/31/587620431.db2.gz MOEOKACTUCTPSI-UHFFFAOYSA-N -1 3 238.247 0.644 20 0 BCADHM COC[C@@](C)(CC(=O)[O-])NCc1cnn(C)c1 ZINC000831584434 587621638 /nfs/dbraw/zinc/62/16/38/587621638.db2.gz FEGNKCSBPVZAAH-LLVKDONJSA-N -1 3 241.291 0.390 20 0 BCADHM COC[C@@H](C)N1CC[C@](F)(C(=O)[O-])C1 ZINC000831643903 587625745 /nfs/dbraw/zinc/62/57/45/587625745.db2.gz RPWDNQQEQMHTOI-VXNVDRBHSA-N -1 3 205.229 0.520 20 0 BCADHM O=C([O-])N1CC[C@@H](NC[C@@H](O)C(F)(F)F)C1 ZINC000831953959 587638277 /nfs/dbraw/zinc/63/82/77/587638277.db2.gz WFELKUKBQZUGQQ-PHDIDXHHSA-N -1 3 242.197 0.252 20 0 BCADHM O=C([O-])N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000832031290 587643368 /nfs/dbraw/zinc/64/33/68/587643368.db2.gz LESVPOIFKXRTLX-JTQLQIEISA-N -1 3 228.292 0.709 20 0 BCADHM O=C([N-]OCC(F)F)[C@H]1[C@@H]2COC[C@@H]21 ZINC000832185537 587649159 /nfs/dbraw/zinc/64/91/59/587649159.db2.gz HAXTVJVGUZCQRD-KCQQBQQISA-N -1 3 207.176 0.192 20 0 BCADHM Cn1cncc1[C@@H]1C[C@H]1C(=O)[N-]OCC(F)F ZINC000832187222 587649431 /nfs/dbraw/zinc/64/94/31/587649431.db2.gz UECIBAXGSZUTAF-RNFRBKRXSA-N -1 3 245.229 0.837 20 0 BCADHM O=C([O-])N[C@H]1CCN(CCC2OCCCO2)C1 ZINC000832386818 587657014 /nfs/dbraw/zinc/65/70/14/587657014.db2.gz NTYZHRRQOQBNNM-VIFPVBQESA-N -1 3 244.291 0.481 20 0 BCADHM C/C(=C/C(=O)[N-]OCCO)c1ccco1 ZINC000832406630 587658547 /nfs/dbraw/zinc/65/85/47/587658547.db2.gz ZXCIGEYUGAALFF-FPLPWBNLSA-N -1 3 211.217 0.723 20 0 BCADHM C[C@@H](CC(=O)[N-]OCCO)[C@H]1CCCO1 ZINC000832411887 587658954 /nfs/dbraw/zinc/65/89/54/587658954.db2.gz KNBOBAZQFDAFMT-DTWKUNHWSA-N -1 3 217.265 0.232 20 0 BCADHM O=C([O-])NC[C@@H]1CCC[C@H]1NCc1ncc[nH]1 ZINC000832484821 587662970 /nfs/dbraw/zinc/66/29/70/587662970.db2.gz YNWWSEVICLESHX-DTWKUNHWSA-N -1 3 238.291 0.936 20 0 BCADHM O=C([O-])NC[C@H]1CCC[C@@H]1NCc1ncc[nH]1 ZINC000832484820 587663028 /nfs/dbraw/zinc/66/30/28/587663028.db2.gz YNWWSEVICLESHX-BDAKNGLRSA-N -1 3 238.291 0.936 20 0 BCADHM O=C([O-])NC[C@@H]1CCCN1CCn1cncn1 ZINC000832572813 587667353 /nfs/dbraw/zinc/66/73/53/587667353.db2.gz HRMRQNWGTQFJER-VIFPVBQESA-N -1 3 239.279 0.010 20 0 BCADHM O=C([O-])NCCN1CCC(n2cccn2)CC1 ZINC000832642300 587671979 /nfs/dbraw/zinc/67/19/79/587671979.db2.gz WYCPRDJNVYTSBY-UHFFFAOYSA-N -1 3 238.291 0.788 20 0 BCADHM O=C([O-])NCCN1CCC(c2cn[nH]c2)CC1 ZINC000832642221 587672258 /nfs/dbraw/zinc/67/22/58/587672258.db2.gz VWZMUGNHWYQBSE-UHFFFAOYSA-N -1 3 238.291 0.857 20 0 BCADHM O=C([O-])NCCN1CCC(c2cc[nH]n2)CC1 ZINC000832642000 587672336 /nfs/dbraw/zinc/67/23/36/587672336.db2.gz RTOIFQFTBQOBTF-UHFFFAOYSA-N -1 3 238.291 0.857 20 0 BCADHM O=C([O-])NCCN1CCC[C@@H](CCO)C1 ZINC000832641733 587672457 /nfs/dbraw/zinc/67/24/57/587672457.db2.gz HLDGZSLFEIEFBL-VIFPVBQESA-N -1 3 216.281 0.348 20 0 BCADHM O=C([O-])NCCN1CCC[C@@H](C2OCCO2)C1 ZINC000832642358 587672533 /nfs/dbraw/zinc/67/25/33/587672533.db2.gz XREMDSHIOOGRPA-SECBINFHSA-N -1 3 244.291 0.339 20 0 BCADHM O=C([O-])C[C@@H]1CCCN1CN1CCCC1=O ZINC000833210397 587702237 /nfs/dbraw/zinc/70/22/37/587702237.db2.gz IZPFELNUGUQYRU-VIFPVBQESA-N -1 3 226.276 0.505 20 0 BCADHM C/C(=C/CN1CCc2cn[nH]c2C1)C(=O)[O-] ZINC000833381387 587711880 /nfs/dbraw/zinc/71/18/80/587711880.db2.gz APHDGECXJBRBFB-WAPJZHGLSA-N -1 3 221.260 0.799 20 0 BCADHM C[C@@]1(C(=O)[O-])CCN(CC2OCCO2)C1 ZINC000833554326 587719080 /nfs/dbraw/zinc/71/90/80/587719080.db2.gz RGEMERRCXXEGSC-SNVBAGLBSA-N -1 3 215.249 0.156 20 0 BCADHM C[C@]1(O)CCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833570610 587720417 /nfs/dbraw/zinc/72/04/17/587720417.db2.gz AOVOLLLTERMEAI-NSHDSACASA-N -1 3 224.260 0.670 20 0 BCADHM C[C@@]1(O)CCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833570588 587720509 /nfs/dbraw/zinc/72/05/09/587720509.db2.gz AOVOLLLTERMEAI-LLVKDONJSA-N -1 3 224.260 0.670 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN(C)C[C@@H](C)O)O1 ZINC000833576923 587721186 /nfs/dbraw/zinc/72/11/86/587721186.db2.gz LYGZCZXGSMXULB-APPZFPTMSA-N -1 3 229.276 0.447 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN(C)CC[C@H](C)O)O1 ZINC000833575729 587721385 /nfs/dbraw/zinc/72/13/85/587721385.db2.gz BYGUMGHCVKLBTR-WPRPVWTQSA-N -1 3 243.303 0.837 20 0 BCADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC(O)CC2)O1 ZINC000833586088 587721545 /nfs/dbraw/zinc/72/15/45/587721545.db2.gz WXDNZLBDRBQOMG-JTQLQIEISA-N -1 3 241.287 0.591 20 0 BCADHM C[C@@H]1CCC[C@@H]1NCc1cn(CC(=O)[O-])nn1 ZINC000833609456 587723807 /nfs/dbraw/zinc/72/38/07/587723807.db2.gz SJBUJGXTPXLTKX-SCZZXKLOSA-N -1 3 238.291 0.641 20 0 BCADHM CC[C@H](C(=O)N(CC)CCC(=O)[O-])N(C)C ZINC000833636614 587725780 /nfs/dbraw/zinc/72/57/80/587725780.db2.gz XJYCVPIBOHGGCZ-SECBINFHSA-N -1 3 230.308 0.650 20 0 BCADHM CN(Cc1cc[nH]n1)[C@H](C(=O)[O-])C1CC1 ZINC000833694464 587728670 /nfs/dbraw/zinc/72/86/70/587728670.db2.gz SKXSKCOTONQLNY-VIFPVBQESA-N -1 3 209.249 0.705 20 0 BCADHM COC[C@@](C)(CO)NCc1c[nH]c(C(=O)[O-])c1 ZINC000833721376 587729042 /nfs/dbraw/zinc/72/90/42/587729042.db2.gz ODFJRPVSEXLLBE-LLVKDONJSA-N -1 3 242.275 0.200 20 0 BCADHM O=C([O-])c1cc(CN2CCC[C@@H]2CO)c[nH]1 ZINC000833779184 587731177 /nfs/dbraw/zinc/73/11/77/587731177.db2.gz KFMKCIMIHPUHOK-SECBINFHSA-N -1 3 224.260 0.670 20 0 BCADHM O=C([O-])c1cc(CN2CC[C@@H](O)C2)c[nH]1 ZINC000833779486 587731536 /nfs/dbraw/zinc/73/15/36/587731536.db2.gz LUUMVCLRKWHXOB-MRVPVSSYSA-N -1 3 210.233 0.280 20 0 BCADHM C[C@H]1[C@H](C)N(C(=O)[O-])CCN1CCCCO ZINC000833825886 587734544 /nfs/dbraw/zinc/73/45/44/587734544.db2.gz DKDPRAKPMVLWMY-UWVGGRQHSA-N -1 3 230.308 0.832 20 0 BCADHM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC1OCCO1 ZINC000833829885 587734685 /nfs/dbraw/zinc/73/46/85/587734685.db2.gz HMZAUMKXSBGTBI-RKDXNWHRSA-N -1 3 244.291 0.337 20 0 BCADHM CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)[O-] ZINC000833853824 587735756 /nfs/dbraw/zinc/73/57/56/587735756.db2.gz PDUNTOYPPCCMRX-VIFPVBQESA-N -1 3 245.323 0.491 20 0 BCADHM CCCN(C)CC(=O)N(C)CCN(C)C(=O)[O-] ZINC000833852633 587736157 /nfs/dbraw/zinc/73/61/57/587736157.db2.gz BGUHAGJVPNWXPV-UHFFFAOYSA-N -1 3 245.323 0.396 20 0 BCADHM CN(CCNC(=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000833872909 587737221 /nfs/dbraw/zinc/73/72/21/587737221.db2.gz QYQDKIRTTHGKRL-ZJUUUORDSA-N -1 3 230.308 0.737 20 0 BCADHM CN(CCNC(=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000833872907 587737587 /nfs/dbraw/zinc/73/75/87/587737587.db2.gz QYQDKIRTTHGKRL-VHSXEESVSA-N -1 3 230.308 0.737 20 0 BCADHM CNC(=O)CCN1CCN(C(=O)[O-])[C@H](C)[C@H]1C ZINC000833875593 587737872 /nfs/dbraw/zinc/73/78/72/587737872.db2.gz WYOVPFBBHMZABG-RKDXNWHRSA-N -1 3 243.307 0.195 20 0 BCADHM COC(=O)CCN1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000833878107 587738135 /nfs/dbraw/zinc/73/81/35/587738135.db2.gz DBXYGNQVZKXRAW-RKDXNWHRSA-N -1 3 244.291 0.670 20 0 BCADHM O=C([O-])N1CC[C@H](CNCc2ncc[nH]2)C1 ZINC000834078515 587744258 /nfs/dbraw/zinc/74/42/58/587744258.db2.gz QUMNGVGDXBJLDT-MRVPVSSYSA-N -1 3 224.264 0.499 20 0 BCADHM O=C([O-])N1CC[C@@H](CNCc2cncnc2)C1 ZINC000834076715 587744353 /nfs/dbraw/zinc/74/43/53/587744353.db2.gz CMQLVWZIQFRBNB-VIFPVBQESA-N -1 3 236.275 0.566 20 0 BCADHM O=C([O-])N[C@H]1CCN(CC2=CCCOC2)C1 ZINC000834190094 587748195 /nfs/dbraw/zinc/74/81/95/587748195.db2.gz RJQHIHQRCFGSLS-JTQLQIEISA-N -1 3 226.276 0.675 20 0 BCADHM O=C([O-])NCC1CCN([C@H]2CCOC2)CC1 ZINC000834224869 587749354 /nfs/dbraw/zinc/74/93/54/587749354.db2.gz LBUIMASTIWGVCP-JTQLQIEISA-N -1 3 228.292 0.755 20 0 BCADHM O=C([O-])NCCCN[C@H](CO)c1ccccc1 ZINC000834237560 587749835 /nfs/dbraw/zinc/74/98/35/587749835.db2.gz MHKPCSXAEAYLFH-LLVKDONJSA-N -1 3 238.287 0.967 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]OCC(C)(C)O)C1 ZINC000834618629 587761172 /nfs/dbraw/zinc/76/11/72/587761172.db2.gz XLFMEHYYYJNAND-SECBINFHSA-N -1 3 230.308 0.147 20 0 BCADHM CC(C)(O)CO[N-]C(=O)c1ccncc1F ZINC000834624251 587761502 /nfs/dbraw/zinc/76/15/02/587761502.db2.gz DLOUCEMHOWDPGI-UHFFFAOYSA-N -1 3 228.223 0.653 20 0 BCADHM CC(F)(F)C(=O)[N-][C@H]1C[C@H]2CCCCN2C1=O ZINC000836251209 587829707 /nfs/dbraw/zinc/82/97/07/587829707.db2.gz SFLIUJDPRZAQQA-SFYZADRCSA-N -1 3 246.257 0.911 20 0 BCADHM CC(C)=CC[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867178763 587834425 /nfs/dbraw/zinc/83/44/25/587834425.db2.gz XWNREUJOCRNKAK-UHFFFAOYSA-N -1 3 240.350 0.515 20 0 BCADHM CC[C@@H](C(=O)[N-]OC(C)(C)CO)N(C)C ZINC000836804503 587837987 /nfs/dbraw/zinc/83/79/87/587837987.db2.gz ATMLVTVAJJHNAS-QMMMGPOBSA-N -1 3 218.297 0.145 20 0 BCADHM CC(C)(CO)O[N-]C(=O)C[C@@H]1CCCCO1 ZINC000836804979 587838092 /nfs/dbraw/zinc/83/80/92/587838092.db2.gz PPPQMVCMMBZNPB-VIFPVBQESA-N -1 3 231.292 0.764 20 0 BCADHM COCCC1(C(=O)[N-]O[C@@H](CO)C(C)C)CC1 ZINC000836891578 587840342 /nfs/dbraw/zinc/84/03/42/587840342.db2.gz JJUQIABUOKLSBF-JTQLQIEISA-N -1 3 245.319 0.868 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)[C@H](C)N(C)C ZINC000836891253 587841469 /nfs/dbraw/zinc/84/14/69/587841469.db2.gz MNCBRIKXLAQACI-IUCAKERBSA-N -1 3 218.297 0.001 20 0 BCADHM COC[C@@H](C)CC(=O)[N-]O[C@@H](CO)C(C)C ZINC000836892852 587841825 /nfs/dbraw/zinc/84/18/25/587841825.db2.gz SPLCOCIJLZOHIZ-UWVGGRQHSA-N -1 3 233.308 0.724 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C[C@](C)(O)C1CC1 ZINC000836894311 587841941 /nfs/dbraw/zinc/84/19/41/587841941.db2.gz PYNNYOKIQITQDZ-PWSUYJOCSA-N -1 3 245.319 0.602 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CCn1cccn1 ZINC000836901836 587842370 /nfs/dbraw/zinc/84/23/70/587842370.db2.gz JZOFRPDEZAWNSF-JTQLQIEISA-N -1 3 241.291 0.338 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)C1(N(C)C)CCC1 ZINC000836901755 587842511 /nfs/dbraw/zinc/84/25/11/587842511.db2.gz ZTBGULFZZJTAQY-SNVBAGLBSA-N -1 3 244.335 0.535 20 0 BCADHM COCCCO[N-]C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000837644908 587887496 /nfs/dbraw/zinc/88/74/96/587887496.db2.gz TVYUXPKSPVOMCN-AEJSXWLSSA-N -1 3 241.287 0.686 20 0 BCADHM COC1(COC(=O)c2cnn[n-]2)CCC1 ZINC000837728447 587892934 /nfs/dbraw/zinc/89/29/34/587892934.db2.gz JISBIYLZYHLBKL-UHFFFAOYSA-N -1 3 211.221 0.531 20 0 BCADHM COC1(COC(=O)c2c[n-]nn2)CCC1 ZINC000837728447 587892935 /nfs/dbraw/zinc/89/29/35/587892935.db2.gz JISBIYLZYHLBKL-UHFFFAOYSA-N -1 3 211.221 0.531 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C)nn1 ZINC000867244185 587908409 /nfs/dbraw/zinc/90/84/09/587908409.db2.gz NNNMDMCITVHDES-HTRCEHHLSA-N -1 3 227.289 0.472 20 0 BCADHM CCCCS(=O)(=O)[N-][C@H]1C(=O)OCC1(C)C ZINC000841535201 587958230 /nfs/dbraw/zinc/95/82/30/587958230.db2.gz PUCQONUNLBSKQX-QMMMGPOBSA-N -1 3 249.332 0.658 20 0 BCADHM Cn1cnnc1S(=O)(=O)[N-][C@@H]1CCC1(C)C ZINC000867268238 587973771 /nfs/dbraw/zinc/97/37/71/587973771.db2.gz OODVBXDGCCJANX-SSDOTTSWSA-N -1 3 244.320 0.282 20 0 BCADHM C[C@H]1CN(C(=O)c2ccc(N)cc2[O-])C[C@H](C)N1 ZINC000841854724 587978427 /nfs/dbraw/zinc/97/84/27/587978427.db2.gz GRKLIVQAYSAZAJ-IUCAKERBSA-N -1 3 249.314 0.797 20 0 BCADHM CCCO[N-]C(=O)CCSCC(=O)OC ZINC000844084193 588162548 /nfs/dbraw/zinc/16/25/48/588162548.db2.gz FTAPLJYUPFBSBL-UHFFFAOYSA-N -1 3 235.305 0.741 20 0 BCADHM CCCO[N-]C(=O)CCc1ccncn1 ZINC000844087261 588164541 /nfs/dbraw/zinc/16/45/41/588164541.db2.gz JZZZWHKYQIRMCX-UHFFFAOYSA-N -1 3 209.249 0.867 20 0 BCADHM CCCO[N-]C(=O)C[C@H]1CCOC[C@@H]1OC ZINC000844090375 588166274 /nfs/dbraw/zinc/16/62/74/588166274.db2.gz OVMRTWVKFPXPII-ZJUUUORDSA-N -1 3 231.292 0.886 20 0 BCADHM CC/C=C\C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867346296 588167425 /nfs/dbraw/zinc/16/74/25/588167425.db2.gz XZVJZXYILUQQBW-WAYWQWQTSA-N -1 3 240.350 0.515 20 0 BCADHM Cc1nonc1CC(=O)[N-]C1=NCCS1 ZINC000845107287 588221404 /nfs/dbraw/zinc/22/14/04/588221404.db2.gz DLZFAHYBIBMYKG-UHFFFAOYSA-N -1 3 226.261 0.140 20 0 BCADHM CC(C)CCOC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845369682 588228139 /nfs/dbraw/zinc/22/81/39/588228139.db2.gz SMOCYRYLTAQCDE-MRVPVSSYSA-N -1 3 235.305 0.267 20 0 BCADHM CC(C)=CCOC(=O)[C@@H]1CCS(=O)(=O)[N-]1 ZINC000845375500 588228278 /nfs/dbraw/zinc/22/82/78/588228278.db2.gz IUYUCSIEKSDXCT-QMMMGPOBSA-N -1 3 233.289 0.188 20 0 BCADHM CCC[C@H](C)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845371334 588228385 /nfs/dbraw/zinc/22/83/85/588228385.db2.gz CTBIKCLIVZKGPF-JGVFFNPUSA-N -1 3 235.305 0.410 20 0 BCADHM CC(C)C[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845376919 588228437 /nfs/dbraw/zinc/22/84/37/588228437.db2.gz VIWSJERBBVGSQK-RKDXNWHRSA-N -1 3 249.332 0.656 20 0 BCADHM CCCC[C@H](C)OC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845492105 588230565 /nfs/dbraw/zinc/23/05/65/588230565.db2.gz FDUYIXSGGRYGIV-DTWKUNHWSA-N -1 3 249.332 0.800 20 0 BCADHM CCC(CC)COC(=O)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845555595 588233492 /nfs/dbraw/zinc/23/34/92/588233492.db2.gz XCHZBMDVSPOLFW-SECBINFHSA-N -1 3 249.332 0.658 20 0 BCADHM COCCO[N-]C(=O)C[C@H](C)n1ccnc1 ZINC000845717967 588242482 /nfs/dbraw/zinc/24/24/82/588242482.db2.gz IWALTVSOYCJYCX-VIFPVBQESA-N -1 3 227.264 0.528 20 0 BCADHM CCON(C)C(=O)C[N-]c1nnc(C)o1 ZINC000845715801 588242507 /nfs/dbraw/zinc/24/25/07/588242507.db2.gz CLZLPIUVYPQROX-UHFFFAOYSA-N -1 3 214.225 0.200 20 0 BCADHM CCC[C@@H](C)S(=O)(=O)[N-][C@H]1CCOC1=O ZINC000845794905 588245458 /nfs/dbraw/zinc/24/54/58/588245458.db2.gz YRLINCGDJJATTL-SFYZADRCSA-N -1 3 235.305 0.410 20 0 BCADHM CCCC(C)(C)C(=O)[N-]OCC(N)=O ZINC000845913928 588250377 /nfs/dbraw/zinc/25/03/77/588250377.db2.gz RUSDVGXWRVFKPR-UHFFFAOYSA-N -1 3 202.254 0.346 20 0 BCADHM CCO[N-]C(=O)CNCc1cc2cnccc2o1 ZINC000846080211 588255524 /nfs/dbraw/zinc/25/55/24/588255524.db2.gz ICGWZXLOXVEFRU-UHFFFAOYSA-N -1 3 249.270 0.985 20 0 BCADHM CCO[N-]C(=O)CNCc1ccc(C)cn1 ZINC000846086829 588255841 /nfs/dbraw/zinc/25/58/41/588255841.db2.gz ACMJKIPGJJVBDI-UHFFFAOYSA-N -1 3 223.276 0.547 20 0 BCADHM CCO[N-]C(=O)C[NH2+]Cc1nc(C)ccc1[O-] ZINC000846088780 588256285 /nfs/dbraw/zinc/25/62/85/588256285.db2.gz KXQMPFGOWSKBSN-UHFFFAOYSA-N -1 3 239.275 0.253 20 0 BCADHM CCO[N-]C(=O)CNCc1ccsc1 ZINC000846090034 588256435 /nfs/dbraw/zinc/25/64/35/588256435.db2.gz BZXVYXDBXZAXRQ-UHFFFAOYSA-N -1 3 214.290 0.905 20 0 BCADHM O=C([N-]OC1CCC1)[C@H]1CCCS(=O)(=O)C1 ZINC000846237682 588262200 /nfs/dbraw/zinc/26/22/00/588262200.db2.gz KPBWUFASRANSNK-QMMMGPOBSA-N -1 3 247.316 0.412 20 0 BCADHM Cc1nonc1CC(=O)[N-]C1=NC[C@@H](C)S1 ZINC000846271107 588263482 /nfs/dbraw/zinc/26/34/82/588263482.db2.gz RSCKHKQQQYOYKO-RXMQYKEDSA-N -1 3 240.288 0.528 20 0 BCADHM C=C=CC[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000867469055 588265357 /nfs/dbraw/zinc/26/53/57/588265357.db2.gz BEROXWWBFCHDSY-ZDUSSCGKSA-N -1 3 238.334 0.280 20 0 BCADHM COCc1ccnc(NC(=O)c2n[n-]nc2C)c1 ZINC000846619816 588279734 /nfs/dbraw/zinc/27/97/34/588279734.db2.gz PTINTKXSSDFRQN-UHFFFAOYSA-N -1 3 247.258 0.907 20 0 BCADHM CN1CCC(O[N-]C(=O)C(F)(F)F)CC1 ZINC000846646934 588280390 /nfs/dbraw/zinc/28/03/90/588280390.db2.gz JKSQSLQAEVYEKB-UHFFFAOYSA-N -1 3 226.198 0.691 20 0 BCADHM Cn1cc(S(=O)(=O)[N-]C(CF)CF)cn1 ZINC000885421007 588298383 /nfs/dbraw/zinc/29/83/83/588298383.db2.gz QKUFBFVQFNCXLT-UHFFFAOYSA-N -1 3 239.247 0.006 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]OCc2cccnc2)C1 ZINC000847599461 588318518 /nfs/dbraw/zinc/31/85/18/588318518.db2.gz DKOSKAUBPMIWCM-LLVKDONJSA-N -1 3 249.314 0.971 20 0 BCADHM C[C@H]1CCN(CC(=O)[N-]OC[C@@H]2CCOC2)C1 ZINC000847880255 588342021 /nfs/dbraw/zinc/34/20/21/588342021.db2.gz GSCQESWIORANFZ-WDEREUQCSA-N -1 3 242.319 0.413 20 0 BCADHM CC1=NC(=O)NC1C(=O)[N-]OC1CCC1 ZINC000848161743 588362652 /nfs/dbraw/zinc/36/26/52/588362652.db2.gz BXSDABFFTZTANU-UHFFFAOYSA-N -1 3 211.221 0.638 20 0 BCADHM COCOCCCNC(=O)c1csc(=O)[n-]1 ZINC000848168514 588363993 /nfs/dbraw/zinc/36/39/93/588363993.db2.gz PHVKEGAMQZLBKE-UHFFFAOYSA-N -1 3 246.288 0.589 20 0 BCADHM C[C@@H]1CCN(CC(=O)[N-]C2=NC[C@@H](C)S2)C1 ZINC000848234712 588366227 /nfs/dbraw/zinc/36/62/27/588366227.db2.gz YQXWZPGUDAKVBA-RKDXNWHRSA-N -1 3 241.360 0.936 20 0 BCADHM O=C(Cc1cncc(O)c1)[N-]OCC(F)F ZINC000848373905 588374530 /nfs/dbraw/zinc/37/45/30/588374530.db2.gz OPIUREBDYXCIKZ-UHFFFAOYSA-N -1 3 232.186 0.643 20 0 BCADHM CS(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F ZINC000849458180 588479956 /nfs/dbraw/zinc/47/99/56/588479956.db2.gz FFAMDOUHFNOYAG-RQJHMYQMSA-N -1 3 241.259 0.350 20 0 BCADHM CC(C)=CCCOC(=O)CN1CC(=O)[N-]C1=O ZINC000849727829 588490651 /nfs/dbraw/zinc/49/06/51/588490651.db2.gz IFZCBKOCNFMTTB-UHFFFAOYSA-N -1 3 240.259 0.438 20 0 BCADHM CON(C)C(=O)c1nnc2ccccc2c1[O-] ZINC000109929390 588602401 /nfs/dbraw/zinc/60/24/01/588602401.db2.gz VCVNNCWSZUIVLH-UHFFFAOYSA-N -1 3 233.227 0.557 20 0 BCADHM CC(C)[C@@H](CO)NC(=O)c1ccc(N)cc1[O-] ZINC000852898788 588712178 /nfs/dbraw/zinc/71/21/78/588712178.db2.gz WUQLZTXPLJKIMM-SNVBAGLBSA-N -1 3 238.287 0.721 20 0 BCADHM Nc1ccc(C(=O)NCCCCO)c([O-])c1 ZINC000852902605 588712623 /nfs/dbraw/zinc/71/26/23/588712623.db2.gz JXRGOVNSNBBVAO-UHFFFAOYSA-N -1 3 224.260 0.477 20 0 BCADHM COC1CC(C(=O)[N-]OCC(F)F)C1 ZINC000860811765 589121888 /nfs/dbraw/zinc/12/18/88/589121888.db2.gz HQGMVSWKWMCBFY-UHFFFAOYSA-N -1 3 209.192 0.724 20 0 BCADHM O=C(NC[C@@H]1CCC=CO1)c1cc(=O)[n-]cn1 ZINC000861176225 589148009 /nfs/dbraw/zinc/14/80/09/589148009.db2.gz ZPJBNEXGVFIRAX-QMMMGPOBSA-N -1 3 235.243 0.605 20 0 BCADHM CC(C)C1(O)CN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000861330070 589160992 /nfs/dbraw/zinc/16/09/92/589160992.db2.gz BJHPTNREVDBUCP-UHFFFAOYSA-N -1 3 237.259 0.025 20 0 BCADHM COc1cnc(F)c(NC([O-])=NOCCO)c1 ZINC000861584053 589169020 /nfs/dbraw/zinc/16/90/20/589169020.db2.gz JXJVJIKNBLMMET-UHFFFAOYSA-N -1 3 245.210 0.275 20 0 BCADHM COc1cnc(F)c(NC(=O)[N-]OCCO)c1 ZINC000861584053 589169021 /nfs/dbraw/zinc/16/90/21/589169021.db2.gz JXJVJIKNBLMMET-UHFFFAOYSA-N -1 3 245.210 0.275 20 0 BCADHM C[C@@H](C(=O)[N-]OCC1CC1)[C@H]1CCC(=O)N1 ZINC000861823506 589179641 /nfs/dbraw/zinc/17/96/41/589179641.db2.gz JHSWWWWNFRNGAT-VXNVDRBHSA-N -1 3 226.276 0.359 20 0 BCADHM COC1CC(C(=O)[N-]OC(C)(C)CO)C1 ZINC000861880948 589181571 /nfs/dbraw/zinc/18/15/71/589181571.db2.gz VGFFJAKSUQOPLN-UHFFFAOYSA-N -1 3 217.265 0.230 20 0 BCADHM CCc1cc(NC(=O)c2cc(=O)[n-]cn2)nn1C ZINC000862020086 589190299 /nfs/dbraw/zinc/19/02/99/589190299.db2.gz JYMCHNSZFMCFPU-UHFFFAOYSA-N -1 3 247.258 0.730 20 0 BCADHM CC(C)[C@H](NC=O)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000862043036 589190632 /nfs/dbraw/zinc/19/06/32/589190632.db2.gz BHBNJGKVCHIHLN-YUMQZZPRSA-N -1 3 243.332 0.365 20 0 BCADHM CCn1nnc(C)c1C[N-]C(=O)C(F)F ZINC000862081825 589191577 /nfs/dbraw/zinc/19/15/77/589191577.db2.gz ISVBGIJEUSAACS-UHFFFAOYSA-N -1 3 218.207 0.488 20 0 BCADHM COCCN(CCF)C(=O)c1cc(=O)[n-]cn1 ZINC000862183358 589194041 /nfs/dbraw/zinc/19/40/41/589194041.db2.gz WIGZPPXNUFLGIX-UHFFFAOYSA-N -1 3 243.238 0.240 20 0 BCADHM CCO[N-]C(=O)CNCc1ccnc(F)c1C ZINC000862403282 589209439 /nfs/dbraw/zinc/20/94/39/589209439.db2.gz OUGLTGPMHUXYST-UHFFFAOYSA-N -1 3 241.266 0.686 20 0 BCADHM CCc1c(C(=O)[N-]N2CCOC2=O)cnn1C ZINC000862699295 589233454 /nfs/dbraw/zinc/23/34/54/589233454.db2.gz NRJWAJHDEBITQV-UHFFFAOYSA-N -1 3 238.247 0.080 20 0 BCADHM Cc1ncc(C(=O)[N-]N2CCOC2=O)c(C)n1 ZINC000862702299 589234239 /nfs/dbraw/zinc/23/42/39/589234239.db2.gz GFCZHEMANFXEFI-UHFFFAOYSA-N -1 3 236.231 0.190 20 0 BCADHM O=C([N-]N1CCOC1=O)c1ccnn1C(F)F ZINC000862704703 589234992 /nfs/dbraw/zinc/23/49/92/589234992.db2.gz UFQKCZORIVCCGU-UHFFFAOYSA-N -1 3 246.173 0.375 20 0 BCADHM CC(=O)[N-]OCC(=O)NCC(C)(C)C ZINC000863456267 589289499 /nfs/dbraw/zinc/28/94/99/589289499.db2.gz MVLYBNKCOBHUOP-UHFFFAOYSA-N -1 3 202.254 0.216 20 0 BCADHM Cc1nonc1[N-]C(=O)c1cnc(C)cn1 ZINC000119614582 589314227 /nfs/dbraw/zinc/31/42/27/589314227.db2.gz YGURJEHRQCRNHM-UHFFFAOYSA-N -1 3 219.204 0.729 20 0 BCADHM O=C(CCc1cn[nH]c1)[N-]OCc1cccnc1 ZINC000863898187 589324386 /nfs/dbraw/zinc/32/43/86/589324386.db2.gz DUJPXCUFRHRRHB-UHFFFAOYSA-N -1 3 246.270 0.985 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C12CC(C1)C2 ZINC000863917607 589326089 /nfs/dbraw/zinc/32/60/89/589326089.db2.gz PDVJHLYLXUHXLG-UHFFFAOYSA-N -1 3 227.260 0.788 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CN(C)C1CCC1 ZINC000863923772 589326832 /nfs/dbraw/zinc/32/68/32/589326832.db2.gz FKALOLXPSJLDBD-NSHDSACASA-N -1 3 244.335 0.535 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)CCc1cn[nH]c1 ZINC000863923729 589326932 /nfs/dbraw/zinc/32/69/32/589326932.db2.gz DFNCMMFUCKSOKY-JTQLQIEISA-N -1 3 241.291 0.407 20 0 BCADHM CC(C)c1n[nH]cc1C(=O)[N-]N1CCOC1=O ZINC000863937926 589328195 /nfs/dbraw/zinc/32/81/95/589328195.db2.gz LWCFEYPICHXTJC-UHFFFAOYSA-N -1 3 238.247 0.630 20 0 BCADHM COCCOCc1nnc([N-][C@H](C)COC)o1 ZINC000863981829 589333036 /nfs/dbraw/zinc/33/30/36/589333036.db2.gz NEYSTMJMBOMYJI-MRVPVSSYSA-N -1 3 245.279 0.679 20 0 BCADHM C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000204656411 589354288 /nfs/dbraw/zinc/35/42/88/589354288.db2.gz MMSCQAFHEOHDST-UHFFFAOYSA-N -1 3 247.663 0.784 20 0 BCADHM COC(C)(C)CCN=c1ncnc2[nH][n-]cc1-2 ZINC000864356930 589355183 /nfs/dbraw/zinc/35/51/83/589355183.db2.gz RAQADLDRHFWSRV-UHFFFAOYSA-N -1 3 235.291 0.953 20 0 BCADHM CO[N-]C(=O)Cc1cnn2c1CCCC2 ZINC000864748808 589392710 /nfs/dbraw/zinc/39/27/10/589392710.db2.gz NGGCWJMZOXWOIU-UHFFFAOYSA-N -1 3 209.249 0.440 20 0 BCADHM O=c1[nH][n-]cc1CCCNc1cc(F)ncn1 ZINC000865942134 589469534 /nfs/dbraw/zinc/46/95/34/589469534.db2.gz ONMXBRAVXNROCK-ZETCQYMHSA-N -1 3 237.238 0.540 20 0 BCADHM Cc1nnc([N-][C@@H](C)c2nnnn2C2CC2)o1 ZINC000866154452 589478319 /nfs/dbraw/zinc/47/83/19/589478319.db2.gz MCTJCZSAXGPSQP-YFKPBYRVSA-N -1 3 235.251 0.873 20 0 BCADHM COC(=O)C1CC(N=c2ncnc3[nH][n-]cc2-3)C1 ZINC000866170309 589478811 /nfs/dbraw/zinc/47/88/11/589478811.db2.gz UQZCQVMYSHUXEU-UHFFFAOYSA-N -1 3 247.258 0.090 20 0 BCADHM CC[C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)CC ZINC000866370247 589488502 /nfs/dbraw/zinc/48/85/02/589488502.db2.gz UHDSQOYXADMUHX-CPFSXVBKSA-N -1 3 242.366 0.737 20 0 BCADHM C=C=CC[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000867469479 589521569 /nfs/dbraw/zinc/52/15/69/589521569.db2.gz MIDGLAPKQMVYGF-UHFFFAOYSA-N -1 3 241.316 0.831 20 0 BCADHM C=C=CC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000867468688 589521585 /nfs/dbraw/zinc/52/15/85/589521585.db2.gz NYQACVBKHPSPIR-UHFFFAOYSA-N -1 3 213.262 0.040 20 0 BCADHM C=C=CC[N-]S(=O)(=O)c1conc1C ZINC000867469082 589521643 /nfs/dbraw/zinc/52/16/43/589521643.db2.gz CIMUUEYELBOGMD-UHFFFAOYSA-N -1 3 214.246 0.602 20 0 BCADHM O=c1[nH]cc(S(=O)(=O)[N-][C@@H]2C=CCC2)s1 ZINC000867506035 589523205 /nfs/dbraw/zinc/52/32/05/589523205.db2.gz LXYYFKROPMHZHG-ZCFIWIBFSA-N -1 3 246.313 0.846 20 0 BCADHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000868427777 589558004 /nfs/dbraw/zinc/55/80/04/589558004.db2.gz ZVTJFEMHWNZIGX-CWKFCGSDSA-N -1 3 246.274 0.683 20 0 BCADHM C[C@@H]1C[C@H](C(=O)[N-]OCCN(C)C)[C@H](C)O1 ZINC000868628334 589569118 /nfs/dbraw/zinc/56/91/18/589569118.db2.gz RXOIQFWWOGIATD-UTLUCORTSA-N -1 3 230.308 0.409 20 0 BCADHM CN(C)CCO[N-]C(=O)C1(F)CCOCC1 ZINC000868628303 589569249 /nfs/dbraw/zinc/56/92/49/589569249.db2.gz RCZRREBHXCUDKY-UHFFFAOYSA-N -1 3 234.271 0.115 20 0 BCADHM CC(C)[C@@H](CO)O[N-]C(=O)CC1CSC1 ZINC000868727425 589574790 /nfs/dbraw/zinc/57/47/90/589574790.db2.gz QATNYGIFQCVMRF-SECBINFHSA-N -1 3 233.333 0.804 20 0 BCADHM COC/C=C/C(=O)[N-]O[C@@H](CO)C(C)C ZINC000868726060 589574847 /nfs/dbraw/zinc/57/48/47/589574847.db2.gz GIQBRKUKEFVZSZ-MOVJSRMASA-N -1 3 217.265 0.254 20 0 BCADHM CC[C@H](NC(C)=O)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000868970463 589584063 /nfs/dbraw/zinc/58/40/63/589584063.db2.gz OUPVHEGXNRBUPL-SVRRBLITSA-N -1 3 243.332 0.509 20 0 BCADHM CC(=CC(=O)NCc1cc(=O)[n-]c(=O)[nH]1)C1CC1 ZINC000869022441 589585120 /nfs/dbraw/zinc/58/51/20/589585120.db2.gz BYLPXJMQQVIMPF-QPJJXVBHSA-N -1 3 249.270 0.860 20 0 BCADHM C[C@@H]1OCC[C@H]1COC(=O)c1cnn[n-]1 ZINC000869517008 589611159 /nfs/dbraw/zinc/61/11/59/589611159.db2.gz DTLHIMDYLVSMOY-BQBZGAKWSA-N -1 3 211.221 0.387 20 0 BCADHM C[C@@H]1OCC[C@H]1COC(=O)c1c[n-]nn1 ZINC000869517008 589611160 /nfs/dbraw/zinc/61/11/60/589611160.db2.gz DTLHIMDYLVSMOY-BQBZGAKWSA-N -1 3 211.221 0.387 20 0 BCADHM C[S@](=O)CCNC(=O)c1ccccc1[O-] ZINC000122806422 589633731 /nfs/dbraw/zinc/63/37/31/589633731.db2.gz RGJHDYWHVHEAAS-OAHLLOKOSA-N -1 3 227.285 0.501 20 0 BCADHM O=C(OCCCO)c1cn[n-]c1[C@H]1CCCO1 ZINC000869902837 589636636 /nfs/dbraw/zinc/63/66/36/589636636.db2.gz ZGKFTYBIMGVGLD-SECBINFHSA-N -1 3 240.259 0.800 20 0 BCADHM O=C(OCCCO)c1c[n-]nc1[C@H]1CCCO1 ZINC000869902837 589636638 /nfs/dbraw/zinc/63/66/38/589636638.db2.gz ZGKFTYBIMGVGLD-SECBINFHSA-N -1 3 240.259 0.800 20 0 BCADHM O=C([N-]C1COC1)C(F)(F)C1(O)CCC1 ZINC000870868305 589692538 /nfs/dbraw/zinc/69/25/38/589692538.db2.gz FRDXUHIUHJGQFS-UHFFFAOYSA-N -1 3 221.203 0.052 20 0 BCADHM Cc1oc(=O)n(CC(=O)NC(C)(C)C)c1[O-] ZINC000871781918 589816656 /nfs/dbraw/zinc/81/66/56/589816656.db2.gz JOIKLUJLKPAVMB-ZCFIWIBFSA-N -1 3 228.248 0.268 20 0 BCADHM COCCS(=O)(=O)[N-]c1cncc(OC)c1 ZINC000872005974 589855568 /nfs/dbraw/zinc/85/55/68/589855568.db2.gz GRYBINYSVRTCFJ-UHFFFAOYSA-N -1 3 246.288 0.478 20 0 BCADHM CN(CCO)c1cc(Cl)n[n-]c1=O ZINC000872386318 589919152 /nfs/dbraw/zinc/91/91/52/589919152.db2.gz IJDCWNWVXGKNEJ-UHFFFAOYSA-N -1 3 203.629 0.264 20 0 BCADHM CO[C@H]1CN(c2cc(Cl)n[n-]c2=O)CCO1 ZINC000872518564 589946473 /nfs/dbraw/zinc/94/64/73/589946473.db2.gz WKTLGPICSZFIMS-MRVPVSSYSA-N -1 3 245.666 0.645 20 0 BCADHM COC(=O)[C@@H](C)N(C)c1cc(Cl)n[n-]c1=O ZINC000872528284 589947166 /nfs/dbraw/zinc/94/71/66/589947166.db2.gz GVALPYRQXZDRCM-RXMQYKEDSA-N -1 3 245.666 0.833 20 0 BCADHM CCCN(CC(N)=O)c1cc(Cl)n[n-]c1=O ZINC000872553496 589949558 /nfs/dbraw/zinc/94/95/58/589949558.db2.gz NMTMXUKYMCSQND-UHFFFAOYSA-N -1 3 244.682 0.537 20 0 BCADHM Cn1ccc(S(=O)(=O)[N-][C@H]2CC23CCC3)n1 ZINC000872649587 589958594 /nfs/dbraw/zinc/95/85/94/589958594.db2.gz FFSPLRRHFUSWMG-QMMMGPOBSA-N -1 3 241.316 0.641 20 0 BCADHM c1ncn(Cc2ccccc2-c2nnn[n-]2)n1 ZINC000095237645 598896656 /nfs/dbraw/zinc/89/66/56/598896656.db2.gz INOXYQMEJRACTD-UHFFFAOYSA-N -1 3 227.231 0.507 20 0 BCADHM c1ncn(Cc2ccccc2-c2nn[n-]n2)n1 ZINC000095237645 598896657 /nfs/dbraw/zinc/89/66/57/598896657.db2.gz INOXYQMEJRACTD-UHFFFAOYSA-N -1 3 227.231 0.507 20 0 BCADHM Cc1nccnc1[C@H](C)NC(=O)c1c[n-]nn1 ZINC000874668719 590123142 /nfs/dbraw/zinc/12/31/42/590123142.db2.gz SGUFRUOPRJACTB-ZETCQYMHSA-N -1 3 232.247 0.394 20 0 BCADHM Cc1nccnc1[C@H](C)NC(=O)c1cnn[n-]1 ZINC000874668719 590123145 /nfs/dbraw/zinc/12/31/45/590123145.db2.gz SGUFRUOPRJACTB-ZETCQYMHSA-N -1 3 232.247 0.394 20 0 BCADHM Cc1nccnc1[C@H](C)NC(=O)c1cn[n-]n1 ZINC000874668719 590123146 /nfs/dbraw/zinc/12/31/46/590123146.db2.gz SGUFRUOPRJACTB-ZETCQYMHSA-N -1 3 232.247 0.394 20 0 BCADHM CCn1ncc(NC(=O)c2cnn[n-]2)c1C ZINC000874819218 590141458 /nfs/dbraw/zinc/14/14/58/590141458.db2.gz MBDIBKTZXQYCMS-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM CCn1ncc(NC(=O)c2c[n-]nn2)c1C ZINC000874819218 590141461 /nfs/dbraw/zinc/14/14/61/590141461.db2.gz MBDIBKTZXQYCMS-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM CCn1ncc(NC(=O)c2cn[n-]n2)c1C ZINC000874819218 590141462 /nfs/dbraw/zinc/14/14/62/590141462.db2.gz MBDIBKTZXQYCMS-UHFFFAOYSA-N -1 3 220.236 0.582 20 0 BCADHM NC(=O)CCCC(=O)[N-]Oc1ccccc1F ZINC000874912159 590155175 /nfs/dbraw/zinc/15/51/75/590155175.db2.gz GYUKLRSKPXIVNL-UHFFFAOYSA-N -1 3 240.234 0.891 20 0 BCADHM C[C@@H](CO)NC(=O)c1nnc2ccccc2c1[O-] ZINC000125214016 590156118 /nfs/dbraw/zinc/15/61/18/590156118.db2.gz YLCWYLPCICJRFH-ZETCQYMHSA-N -1 3 247.254 0.034 20 0 BCADHM [O-]C(=NOC1CCOCC1)Nc1ncccn1 ZINC000888692662 590183577 /nfs/dbraw/zinc/18/35/77/590183577.db2.gz HEOIFZKLSSTCFU-UHFFFAOYSA-N -1 3 238.247 0.709 20 0 BCADHM O=C([N-]OC1CCOCC1)Nc1ncccn1 ZINC000888692662 590183578 /nfs/dbraw/zinc/18/35/78/590183578.db2.gz HEOIFZKLSSTCFU-UHFFFAOYSA-N -1 3 238.247 0.709 20 0 BCADHM COCCCON=C([O-])Nc1ncccn1 ZINC000888700853 590188020 /nfs/dbraw/zinc/18/80/20/590188020.db2.gz YBANJZKMVRLDJG-UHFFFAOYSA-N -1 3 226.236 0.566 20 0 BCADHM COCCCO[N-]C(=O)Nc1ncccn1 ZINC000888700853 590188021 /nfs/dbraw/zinc/18/80/21/590188021.db2.gz YBANJZKMVRLDJG-UHFFFAOYSA-N -1 3 226.236 0.566 20 0 BCADHM [O-]C(=NOCC1CC1)Nc1ncccn1 ZINC000888702384 590188891 /nfs/dbraw/zinc/18/88/91/590188891.db2.gz QLWNYNVBVOFIMX-UHFFFAOYSA-N -1 3 208.221 0.940 20 0 BCADHM O=C([N-]OCC1CC1)Nc1ncccn1 ZINC000888702384 590188893 /nfs/dbraw/zinc/18/88/93/590188893.db2.gz QLWNYNVBVOFIMX-UHFFFAOYSA-N -1 3 208.221 0.940 20 0 BCADHM C=C/C=C/CCN1C(C)=C([O-])N(C)S1(=O)=O ZINC000877889676 590440318 /nfs/dbraw/zinc/44/03/18/590440318.db2.gz KSVDIEXDDURREL-VUHVRTRXSA-N -1 3 244.316 0.526 20 0 BCADHM O=C(COC1CC1)[N-]C1=NCCS1 ZINC000877963063 590459604 /nfs/dbraw/zinc/45/96/04/590459604.db2.gz GAZCEHYVGBTLFW-UHFFFAOYSA-N -1 3 200.263 0.384 20 0 BCADHM O=C(C[C@@H]1CCNC1=O)Nc1ncccc1[O-] ZINC000877980055 590465209 /nfs/dbraw/zinc/46/52/09/590465209.db2.gz GUKGTAGVNSCNRL-ZETCQYMHSA-N -1 3 235.243 0.252 20 0 BCADHM O=C(C[C@@H]1CCNC1=O)Nc1ccccc1[O-] ZINC000878008070 590470480 /nfs/dbraw/zinc/47/04/80/590470480.db2.gz VUMZNJFFDRRYDD-QMMMGPOBSA-N -1 3 234.255 0.857 20 0 BCADHM Cc1csc([N-]C(=O)c2nnn(C)n2)n1 ZINC000878022188 590473326 /nfs/dbraw/zinc/47/33/26/590473326.db2.gz DRHBDNDUSFYCOR-UHFFFAOYSA-N -1 3 224.249 0.227 20 0 BCADHM CO[N-]C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000878113698 590496960 /nfs/dbraw/zinc/49/69/60/590496960.db2.gz LJTLZWCTUMBFHG-HZGVNTEJSA-N -1 3 209.249 0.753 20 0 BCADHM Cc1cscc1[N-]C(=O)c1nnn(C)n1 ZINC000879254418 590721052 /nfs/dbraw/zinc/72/10/52/590721052.db2.gz ZVOBHFRHDPWWPJ-UHFFFAOYSA-N -1 3 223.261 0.832 20 0 BCADHM C[C@]1(c2ccccc2)C[C@H]1C(=O)[N-]OCC(N)=O ZINC000879380854 590758785 /nfs/dbraw/zinc/75/87/85/590758785.db2.gz ZMHWOEVGQILHMV-GXFFZTMASA-N -1 3 248.282 0.497 20 0 BCADHM Cn1cnnc1[N-]C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000879494295 590781955 /nfs/dbraw/zinc/78/19/55/590781955.db2.gz QEUVNBSWPQXOEC-XHNCKOQMSA-N -1 3 236.275 0.569 20 0 BCADHM OCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000738393315 598935539 /nfs/dbraw/zinc/93/55/39/598935539.db2.gz HRSZHIAHRVMXKN-UHFFFAOYSA-N -1 3 240.654 0.319 20 0 BCADHM OCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000738393315 598935541 /nfs/dbraw/zinc/93/55/41/598935541.db2.gz HRSZHIAHRVMXKN-UHFFFAOYSA-N -1 3 240.654 0.319 20 0 BCADHM Cc1cc(NC([O-])=NOCCO)nc(C)n1 ZINC000880305841 590999136 /nfs/dbraw/zinc/99/91/36/590999136.db2.gz ZCKUSLQIRQPOPZ-UHFFFAOYSA-N -1 3 226.236 0.139 20 0 BCADHM Cc1cc(NC(=O)[N-]OCCO)nc(C)n1 ZINC000880305841 590999137 /nfs/dbraw/zinc/99/91/37/590999137.db2.gz ZCKUSLQIRQPOPZ-UHFFFAOYSA-N -1 3 226.236 0.139 20 0 BCADHM COC(=O)CCCO[N-]C(=O)C1=COCC1 ZINC000888816370 591048431 /nfs/dbraw/zinc/04/84/31/591048431.db2.gz IAAPQGJLXITDOQ-UHFFFAOYSA-N -1 3 229.232 0.292 20 0 BCADHM C[C@H](O)CCNc1ncccc1-c1nnn[n-]1 ZINC000095225357 598943641 /nfs/dbraw/zinc/94/36/41/598943641.db2.gz MEZJUGUNLHMRSN-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM C[C@H](O)CCNc1ncccc1-c1nn[n-]n1 ZINC000095225357 598943642 /nfs/dbraw/zinc/94/36/42/598943642.db2.gz MEZJUGUNLHMRSN-ZETCQYMHSA-N -1 3 234.263 0.445 20 0 BCADHM OC[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC000738392600 598944753 /nfs/dbraw/zinc/94/47/53/598944753.db2.gz FKUBQDBZQCQQTM-SECBINFHSA-N -1 3 246.274 0.445 20 0 BCADHM OC[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC000738392600 598944755 /nfs/dbraw/zinc/94/47/55/598944755.db2.gz FKUBQDBZQCQQTM-SECBINFHSA-N -1 3 246.274 0.445 20 0 BCADHM COC(=O)CCCO[N-]C(=O)CC1COC1 ZINC000888817950 591073240 /nfs/dbraw/zinc/07/32/40/591073240.db2.gz NBAUZRRPFFIZCR-UHFFFAOYSA-N -1 3 231.248 0.024 20 0 BCADHM OC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000738390883 598945180 /nfs/dbraw/zinc/94/51/80/598945180.db2.gz TZOBEAICTCNLTF-SECBINFHSA-N -1 3 246.274 0.445 20 0 BCADHM OC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000738390883 598945182 /nfs/dbraw/zinc/94/51/82/598945182.db2.gz TZOBEAICTCNLTF-SECBINFHSA-N -1 3 246.274 0.445 20 0 BCADHM C[C@H]1C[C@@H]1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880513686 591081794 /nfs/dbraw/zinc/08/17/94/591081794.db2.gz GFPBEEJOFJNTQM-FSPLSTOPSA-N -1 3 239.300 0.743 20 0 BCADHM CCON=C([O-])Nc1ccn(CCF)n1 ZINC000880763243 591139140 /nfs/dbraw/zinc/13/91/40/591139140.db2.gz RNXZINYQBJRGFK-UHFFFAOYSA-N -1 3 216.216 0.926 20 0 BCADHM CCO[N-]C(=O)Nc1ccn(CCF)n1 ZINC000880763243 591139143 /nfs/dbraw/zinc/13/91/43/591139143.db2.gz RNXZINYQBJRGFK-UHFFFAOYSA-N -1 3 216.216 0.926 20 0 BCADHM CCON=C([O-])Nc1cc(OC)nn1C ZINC000881246304 591175489 /nfs/dbraw/zinc/17/54/89/591175489.db2.gz MGWCDWWXSTXGQE-UHFFFAOYSA-N -1 3 214.225 0.502 20 0 BCADHM CCO[N-]C(=O)Nc1cc(OC)nn1C ZINC000881246304 591175492 /nfs/dbraw/zinc/17/54/92/591175492.db2.gz MGWCDWWXSTXGQE-UHFFFAOYSA-N -1 3 214.225 0.502 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)n2cc([C@@H](C)O)nn2)n1 ZINC000881357180 591195064 /nfs/dbraw/zinc/19/50/64/591195064.db2.gz PUZCIVFNXJLWLN-HTQZYQBOSA-N -1 3 249.274 0.745 20 0 BCADHM CC(C)(C)OC(=O)C[N-]S(=O)(=O)C1CCC1 ZINC000881901693 591277323 /nfs/dbraw/zinc/27/73/23/591277323.db2.gz GFJPAEPPOUESGN-UHFFFAOYSA-N -1 3 249.332 0.800 20 0 BCADHM Cc1cnc(C)c(N(C)C[C@@H](C)c2nnn[n-]2)n1 ZINC000882181562 591312490 /nfs/dbraw/zinc/31/24/90/591312490.db2.gz HVJHOLUEMPNQPR-SSDOTTSWSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1cnc(C)c(N(C)C[C@@H](C)c2nn[n-]n2)n1 ZINC000882181562 591312492 /nfs/dbraw/zinc/31/24/92/591312492.db2.gz HVJHOLUEMPNQPR-SSDOTTSWSA-N -1 3 247.306 0.846 20 0 BCADHM Cc1oncc1CSCCc1nnn[n-]1 ZINC000882188159 591312756 /nfs/dbraw/zinc/31/27/56/591312756.db2.gz GBHHLMPJQQXTNI-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM Cc1oncc1CSCCc1nn[n-]n1 ZINC000882188159 591312758 /nfs/dbraw/zinc/31/27/58/591312758.db2.gz GBHHLMPJQQXTNI-UHFFFAOYSA-N -1 3 225.277 0.972 20 0 BCADHM COC(CSCCc1nnn[n-]1)OC ZINC000882187406 591313413 /nfs/dbraw/zinc/31/34/13/591313413.db2.gz AIHCKHLBRCTYEA-UHFFFAOYSA-N -1 3 218.282 0.094 20 0 BCADHM COC(CSCCc1nn[n-]n1)OC ZINC000882187406 591313416 /nfs/dbraw/zinc/31/34/16/591313416.db2.gz AIHCKHLBRCTYEA-UHFFFAOYSA-N -1 3 218.282 0.094 20 0 BCADHM C(Cc1nnn[n-]1)S[C@@H]1CCSC1 ZINC000882190967 591314736 /nfs/dbraw/zinc/31/47/36/591314736.db2.gz SGMOGNNNCUPRRV-ZCFIWIBFSA-N -1 3 216.335 0.981 20 0 BCADHM C(Cc1nn[n-]n1)S[C@@H]1CCSC1 ZINC000882190967 591314739 /nfs/dbraw/zinc/31/47/39/591314739.db2.gz SGMOGNNNCUPRRV-ZCFIWIBFSA-N -1 3 216.335 0.981 20 0 BCADHM CCS(=O)(=O)[N-][C@]1(C)CC(C)(C)OC1=O ZINC000882222843 591317027 /nfs/dbraw/zinc/31/70/27/591317027.db2.gz AJPYBOVRIVEENT-SECBINFHSA-N -1 3 235.305 0.410 20 0 BCADHM C[C@@H]1CCCN(C(=O)Cn2c([O-])coc2=O)C1 ZINC000882271974 591323300 /nfs/dbraw/zinc/32/33/00/591323300.db2.gz JPVIGDASXWFALW-MRVPVSSYSA-N -1 3 240.259 0.224 20 0 BCADHM CC1CCN(C(=O)Cn2c([O-])coc2=O)CC1 ZINC000882271651 591323575 /nfs/dbraw/zinc/32/35/75/591323575.db2.gz DFNPZLDJGXQJON-UHFFFAOYSA-N -1 3 240.259 0.224 20 0 BCADHM CC(C)[C@H](O)CCn1c([O-])coc1=O ZINC000882276551 591324735 /nfs/dbraw/zinc/32/47/35/591324735.db2.gz KQVNCDQVQUGRML-SSDOTTSWSA-N -1 3 201.222 0.372 20 0 BCADHM CC1(C)OC[C@H](Cn2c([O-])coc2=O)O1 ZINC000882276544 591324991 /nfs/dbraw/zinc/32/49/91/591324991.db2.gz KHEBKNOJCOPQRN-LURJTMIESA-N -1 3 215.205 0.117 20 0 BCADHM CC1(C)CC[C@@H](n2c([O-])coc2=O)C1=O ZINC000882276560 591325011 /nfs/dbraw/zinc/32/50/11/591325011.db2.gz KRGYTZCDOHDZJG-ZCFIWIBFSA-N -1 3 211.217 0.723 20 0 BCADHM CC(C)(C)CCNC(=O)Cn1c([O-])coc1=O ZINC000882275659 591325098 /nfs/dbraw/zinc/32/50/98/591325098.db2.gz YBAFDCOEZKQXBP-UHFFFAOYSA-N -1 3 242.275 0.518 20 0 BCADHM O=C(Cn1c([O-])coc1=O)OCC(F)(F)F ZINC000882276904 591325289 /nfs/dbraw/zinc/32/52/89/591325289.db2.gz ZBBBLJWUDYDJMX-UHFFFAOYSA-N -1 3 241.121 0.071 20 0 BCADHM COC(C)(C)CCn1c([O-])coc1=O ZINC000882276809 591325444 /nfs/dbraw/zinc/32/54/44/591325444.db2.gz VXEPEODNKFOLIP-UHFFFAOYSA-N -1 3 201.222 0.780 20 0 BCADHM COC[C@H](CO)[N-]c1nnc(C(C)(C)C)o1 ZINC000882288159 591326348 /nfs/dbraw/zinc/32/63/48/591326348.db2.gz GRKLVRFRFSOMMZ-ZETCQYMHSA-N -1 3 229.280 0.786 20 0 BCADHM COC[C@@H](CO)[N-]c1nnc(C(C)(C)C)o1 ZINC000882288156 591326468 /nfs/dbraw/zinc/32/64/68/591326468.db2.gz GRKLVRFRFSOMMZ-SSDOTTSWSA-N -1 3 229.280 0.786 20 0 BCADHM CC[C@@H](C)CON=c1[n-]ccnc1C(N)=O ZINC000882392690 591341926 /nfs/dbraw/zinc/34/19/26/591341926.db2.gz QXCXIDVHPCRWSN-SSDOTTSWSA-N -1 3 224.264 0.965 20 0 BCADHM Cc1cnc(C)c(SCCc2nnn[n-]2)n1 ZINC000882472556 591353821 /nfs/dbraw/zinc/35/38/21/591353821.db2.gz AZAVZIQYJOWARP-UHFFFAOYSA-N -1 3 236.304 0.941 20 0 BCADHM Cc1cnc(C)c(SCCc2nn[n-]n2)n1 ZINC000882472556 591353825 /nfs/dbraw/zinc/35/38/25/591353825.db2.gz AZAVZIQYJOWARP-UHFFFAOYSA-N -1 3 236.304 0.941 20 0 BCADHM CC[C@@H](N)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000130248926 591451244 /nfs/dbraw/zinc/45/12/44/591451244.db2.gz SSJPMNPEBSBDJW-HTQZYQBOSA-N -1 3 202.254 0.298 20 0 BCADHM CC(C)[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC000735733200 598971534 /nfs/dbraw/zinc/97/15/34/598971534.db2.gz DYLGQFJVXLTQPG-SECBINFHSA-N -1 3 248.290 0.691 20 0 BCADHM CC(C)[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC000735733200 598971535 /nfs/dbraw/zinc/97/15/35/598971535.db2.gz DYLGQFJVXLTQPG-SECBINFHSA-N -1 3 248.290 0.691 20 0 BCADHM Cc1cccc(C(=O)N[C@]2(C)CCNC2=O)c1[O-] ZINC000889042582 591848557 /nfs/dbraw/zinc/84/85/57/591848557.db2.gz KFAZIXAQGACHCO-CYBMUJFWSA-N -1 3 248.282 0.709 20 0 BCADHM CC(C)[C@H](N)C(=O)[N-]OCC(F)(F)F ZINC000133823946 591861898 /nfs/dbraw/zinc/86/18/98/591861898.db2.gz GYRXPFYCPMYOIV-YFKPBYRVSA-N -1 3 214.187 0.580 20 0 BCADHM CSCC[C@H](N)C(=O)[N-]OCC(F)(F)F ZINC000133821436 591861912 /nfs/dbraw/zinc/86/19/12/591861912.db2.gz JKPHCWRQTAPXGF-YFKPBYRVSA-N -1 3 246.254 0.677 20 0 BCADHM O=C([O-])CCCN1CCCC2(C1)OCCO2 ZINC000134232815 591904741 /nfs/dbraw/zinc/90/47/41/591904741.db2.gz VNNNEFINRQLLMU-UHFFFAOYSA-N -1 3 229.276 0.690 20 0 BCADHM O=C(OCCCOC(F)(F)F)c1cnn[n-]1 ZINC000884507841 591959891 /nfs/dbraw/zinc/95/98/91/591959891.db2.gz NIZSOZWHYZYAFP-UHFFFAOYSA-N -1 3 239.153 0.888 20 0 BCADHM O=C(OCCCOC(F)(F)F)c1c[n-]nn1 ZINC000884507841 591959893 /nfs/dbraw/zinc/95/98/93/591959893.db2.gz NIZSOZWHYZYAFP-UHFFFAOYSA-N -1 3 239.153 0.888 20 0 BCADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(N)=O)C1 ZINC000135029858 591974064 /nfs/dbraw/zinc/97/40/64/591974064.db2.gz MUTZAHQBTQYVGV-QMMMGPOBSA-N -1 3 228.292 0.295 20 0 BCADHM O=C([N-]OC1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000135142697 591991983 /nfs/dbraw/zinc/99/19/83/591991983.db2.gz MQLCSDVLPNXNJD-QMMMGPOBSA-N -1 3 247.316 0.412 20 0 BCADHM COCCONC(=O)c1cccc(OC)c1[O-] ZINC000135145902 591992438 /nfs/dbraw/zinc/99/24/38/591992438.db2.gz HUIYDPOTEKWFTH-UHFFFAOYSA-N -1 3 241.243 0.709 20 0 BCADHM O=C1OCC[C@@H]1[N-]S(=O)(=O)CCCC1CC1 ZINC000884876443 592026354 /nfs/dbraw/zinc/02/63/54/592026354.db2.gz BMYIIACIUZWBNX-VIFPVBQESA-N -1 3 247.316 0.412 20 0 BCADHM NC(=O)CON=C([O-])Nc1cccc(Cl)c1 ZINC000135739324 592043741 /nfs/dbraw/zinc/04/37/41/592043741.db2.gz FUIOQQFSEAMVEL-UHFFFAOYSA-N -1 3 243.650 0.878 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1cccc(Cl)c1 ZINC000135739324 592043744 /nfs/dbraw/zinc/04/37/44/592043744.db2.gz FUIOQQFSEAMVEL-UHFFFAOYSA-N -1 3 243.650 0.878 20 0 BCADHM C[C@@H]1CCC(=O)CN1C(=O)Cc1cncc([O-])c1 ZINC000885077840 592047828 /nfs/dbraw/zinc/04/78/28/592047828.db2.gz GHTBTZHESZGYID-SECBINFHSA-N -1 3 248.282 0.910 20 0 BCADHM C[C@@H]1CCCN1S(=O)(=O)[N-]C(CF)CF ZINC000885417341 592077475 /nfs/dbraw/zinc/07/74/75/592077475.db2.gz ZGMATXKAWFWABC-SSDOTTSWSA-N -1 3 242.291 0.613 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@]12C[C@H]1COC2 ZINC000885491201 592081203 /nfs/dbraw/zinc/08/12/03/592081203.db2.gz ODRNDWIUFNKXPZ-CBAPKCEASA-N -1 3 244.272 0.050 20 0 BCADHM CO[C@H](C)CC(=O)NCc1cncc([O-])c1 ZINC000886280046 592193783 /nfs/dbraw/zinc/19/37/83/592193783.db2.gz SSPIPDZHWCEORZ-MRVPVSSYSA-N -1 3 224.260 0.828 20 0 BCADHM CC[C@@H](O)[C@H](C)C(=O)NCc1cncc([O-])c1 ZINC000886273060 592193997 /nfs/dbraw/zinc/19/39/97/592193997.db2.gz KXQGEFDWGWKTTI-GZMMTYOYSA-N -1 3 238.287 0.810 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@@H]1CCC(=O)C1 ZINC000886272967 592194196 /nfs/dbraw/zinc/19/41/96/592194196.db2.gz IJZJCIICCPUTJE-SECBINFHSA-N -1 3 234.255 0.773 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@H](O)C1CCC1 ZINC000886274889 592194609 /nfs/dbraw/zinc/19/46/09/592194609.db2.gz GRHIIMWMSWMAJW-LLVKDONJSA-N -1 3 236.271 0.564 20 0 BCADHM O=C(NCc1cncc([O-])c1)[C@@H]1C[C@]12CCOC2 ZINC000886276507 592196096 /nfs/dbraw/zinc/19/60/96/592196096.db2.gz LBBMWSZGCLRJTF-AAEUAGOBSA-N -1 3 248.282 0.830 20 0 BCADHM C[C@H]1C[C@@H](C(=O)NCc2cncc([O-])c2)CO1 ZINC000886276855 592196262 /nfs/dbraw/zinc/19/62/62/592196262.db2.gz XKTVFXCRGJXBDZ-WCBMZHEXSA-N -1 3 236.271 0.828 20 0 BCADHM C[C@@H](C(=O)NCc1cncc([O-])c1)n1cncn1 ZINC000886277739 592196264 /nfs/dbraw/zinc/19/62/64/592196264.db2.gz AZWFDHXYFNZEAN-QMMMGPOBSA-N -1 3 247.258 0.256 20 0 BCADHM CCC[C@](C)(O)C(=O)NCc1cncc([O-])c1 ZINC000886277965 592196287 /nfs/dbraw/zinc/19/62/87/592196287.db2.gz ITXUENPJGXJHFR-LBPRGKRZSA-N -1 3 238.287 0.955 20 0 BCADHM CC1(C(=O)NCc2cncc([O-])c2)COC1 ZINC000886276889 592196654 /nfs/dbraw/zinc/19/66/54/592196654.db2.gz YWTUBURJSITTCO-UHFFFAOYSA-N -1 3 222.244 0.440 20 0 BCADHM CCn1cc(C(=O)NCc2cncc([O-])c2)cn1 ZINC000886279671 592198521 /nfs/dbraw/zinc/19/85/21/592198521.db2.gz GRJXIOROEVRYCW-UHFFFAOYSA-N -1 3 246.270 0.934 20 0 BCADHM O=C(CCn1cccn1)NCc1cncc([O-])c1 ZINC000886282118 592199080 /nfs/dbraw/zinc/19/90/80/592199080.db2.gz XVUFZPNQMDDGTO-UHFFFAOYSA-N -1 3 246.270 0.690 20 0 BCADHM CC[C@@](C)(O)C(=O)NCc1cncc([O-])c1 ZINC000886283131 592199236 /nfs/dbraw/zinc/19/92/36/592199236.db2.gz IYPYSMMRFIOCOA-LLVKDONJSA-N -1 3 224.260 0.564 20 0 BCADHM C[C@@H](CO)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000139416490 592398844 /nfs/dbraw/zinc/39/88/44/592398844.db2.gz BFMWEDBWKJDHSM-LURJTMIESA-N -1 3 239.227 0.232 20 0 BCADHM O=c1[n-]c(CNC2(C3CC3)CCC2)n[nH]1 ZINC000887147256 592460866 /nfs/dbraw/zinc/46/08/66/592460866.db2.gz FKESKGLFXHANBI-UHFFFAOYSA-N -1 3 208.265 0.933 20 0 BCADHM N[C@@H](CC1CC1)C(=O)N(CC(=O)[O-])C1CCC1 ZINC000887398030 592502648 /nfs/dbraw/zinc/50/26/48/592502648.db2.gz MKSWDQBBOROTMP-JTQLQIEISA-N -1 3 240.303 0.580 20 0 BCADHM CC[C@@H]1OCC[C@H]1C(=O)Nc1nnc(OC)[n-]1 ZINC000300593630 592515654 /nfs/dbraw/zinc/51/56/54/592515654.db2.gz GGNOMQGKLFJZMO-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM CC[C@@H]1OCC[C@H]1C(=O)Nc1n[n-]c(OC)n1 ZINC000300593630 592515656 /nfs/dbraw/zinc/51/56/56/592515656.db2.gz GGNOMQGKLFJZMO-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM CC[C@@H]1OCC[C@H]1C(=O)Nc1nc(OC)n[n-]1 ZINC000300593630 592515657 /nfs/dbraw/zinc/51/56/57/592515657.db2.gz GGNOMQGKLFJZMO-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM C[C@@]1(NC(=O)c2cccc([O-])c2)CCNC1=O ZINC000889048020 592517095 /nfs/dbraw/zinc/51/70/95/592517095.db2.gz BPOYZDZVRRFILV-GFCCVEGCSA-N -1 3 234.255 0.401 20 0 BCADHM CO[C@@H]1CC[C@@H]1N(C)C(=O)c1cc(=O)[n-]cn1 ZINC000889321864 592596495 /nfs/dbraw/zinc/59/64/95/592596495.db2.gz PSPQINUEBWXJHL-DTWKUNHWSA-N -1 3 237.259 0.432 20 0 BCADHM CCCc1cc(C(=O)[N-]c2nnn(C)n2)no1 ZINC000889626386 592633440 /nfs/dbraw/zinc/63/34/40/592633440.db2.gz SOVCJGKNGJCFJE-UHFFFAOYSA-N -1 3 236.235 0.403 20 0 BCADHM CCc1nc(C)c(C(=O)[N-]c2nnn(C)n2)o1 ZINC000889626397 592633697 /nfs/dbraw/zinc/63/36/97/592633697.db2.gz SXERXLFUOAHEQY-UHFFFAOYSA-N -1 3 236.235 0.321 20 0 BCADHM Cc1ncc(C(=O)[N-]c2nnn(C)n2)s1 ZINC000889630948 592635626 /nfs/dbraw/zinc/63/56/26/592635626.db2.gz JNNHVEZBMFJUIQ-UHFFFAOYSA-N -1 3 224.249 0.227 20 0 BCADHM C[C@H]1CO[C@@H](C(=O)[N-]c2nncn2C)C1 ZINC000889964505 592664712 /nfs/dbraw/zinc/66/47/12/592664712.db2.gz HVCOGLDJIMNNGV-RNFRBKRXSA-N -1 3 210.237 0.179 20 0 BCADHM O=C(Nc1ccnn1C1CCC1)c1cnn[n-]1 ZINC000890351129 592693994 /nfs/dbraw/zinc/69/39/94/592693994.db2.gz ZBXHDZHVWMYJNK-UHFFFAOYSA-N -1 3 232.247 0.979 20 0 BCADHM O=C(Nc1ccnn1C1CCC1)c1c[n-]nn1 ZINC000890351129 592693997 /nfs/dbraw/zinc/69/39/97/592693997.db2.gz ZBXHDZHVWMYJNK-UHFFFAOYSA-N -1 3 232.247 0.979 20 0 BCADHM O=C(Nc1ccnn1C1CCC1)c1cn[n-]n1 ZINC000890351129 592694000 /nfs/dbraw/zinc/69/40/00/592694000.db2.gz ZBXHDZHVWMYJNK-UHFFFAOYSA-N -1 3 232.247 0.979 20 0 BCADHM CCN(CCC(=O)[O-])Cc1cnn(C)c1 ZINC000038024752 596910716 /nfs/dbraw/zinc/91/07/16/596910716.db2.gz ZGGDFGXMGVFHHK-UHFFFAOYSA-N -1 3 211.265 0.717 20 0 BCADHM COc1cccc(CN(C)CCC(=O)[O-])n1 ZINC000069637737 596996737 /nfs/dbraw/zinc/99/67/37/596996737.db2.gz PDRWTAOZKHFRKO-UHFFFAOYSA-N -1 3 224.260 0.997 20 0 BCADHM C=CCNC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000037933123 596997479 /nfs/dbraw/zinc/99/74/79/596997479.db2.gz YQTFUOGOXYXGNC-QMMMGPOBSA-N -1 3 214.265 0.084 20 0 BCADHM C[C@H](CC(=O)[O-])N[C@@H](C(N)=O)c1ccccc1 ZINC000738890639 597001370 /nfs/dbraw/zinc/00/13/70/597001370.db2.gz IVXKRAYMWVMNDB-LDYMZIIASA-N -1 3 236.271 0.666 20 0 BCADHM CN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1C ZINC000082246922 597009055 /nfs/dbraw/zinc/00/90/55/597009055.db2.gz ILFZHLHSVGOJNS-QMMMGPOBSA-N -1 3 214.265 0.014 20 0 BCADHM CCn1ccnc1CN[C@H](C)CC(=O)[O-] ZINC000385101095 597071968 /nfs/dbraw/zinc/07/19/68/597071968.db2.gz BAINPGGRICOZPH-MRVPVSSYSA-N -1 3 211.265 0.856 20 0 BCADHM CCn1ccnc1CN[C@@H](C)CC(=O)[O-] ZINC000385101096 597072133 /nfs/dbraw/zinc/07/21/33/597072133.db2.gz BAINPGGRICOZPH-QMMMGPOBSA-N -1 3 211.265 0.856 20 0 BCADHM CC(C)NC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000054299776 597086206 /nfs/dbraw/zinc/08/62/06/597086206.db2.gz RNLWGKPJFASVBV-JTQLQIEISA-N -1 3 242.319 0.698 20 0 BCADHM O=C([O-])C[C@@H]1CCCN([C@@H]2CCNC2=O)C1 ZINC000691598670 597274869 /nfs/dbraw/zinc/27/48/69/597274869.db2.gz BPFRFDYHSCMAAT-DTWKUNHWSA-N -1 3 226.276 0.062 20 0 BCADHM Cc1cc(CN2CC[C@@H](C(=O)[O-])C2)on1 ZINC000062134341 597527712 /nfs/dbraw/zinc/52/77/12/597527712.db2.gz AHOCMJGJPUMKDZ-MRVPVSSYSA-N -1 3 210.233 0.890 20 0 BCADHM CCCNC(=O)[C@@H](C)N1CC[C@H](C(=O)[O-])C1 ZINC000062133525 597530095 /nfs/dbraw/zinc/53/00/95/597530095.db2.gz ZKXXFGIMSNVYGE-BDAKNGLRSA-N -1 3 228.292 0.308 20 0 BCADHM CCN(CCCCC(=O)[O-])CC(=O)N(C)C ZINC000042516323 597768757 /nfs/dbraw/zinc/76/87/57/597768757.db2.gz AUYGGMSWQJZDBS-UHFFFAOYSA-N -1 3 230.308 0.651 20 0 BCADHM CNC(=O)[C@@H]1CCCN1CCCCC(=O)[O-] ZINC000042394819 597771261 /nfs/dbraw/zinc/77/12/61/597771261.db2.gz NCBNYRNCUVWLDX-VIFPVBQESA-N -1 3 228.292 0.452 20 0 BCADHM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000251534332 600160586 /nfs/dbraw/zinc/16/05/86/600160586.db2.gz XTZAFCXUOIFVDQ-FXBDTBDDSA-N -1 3 238.287 0.060 20 0 BCADHM CCN(C)C(=O)CN[C@@H](C(=O)[O-])C(C)C ZINC000035391595 598188020 /nfs/dbraw/zinc/18/80/20/598188020.db2.gz FISPWRQZGUCNDO-SECBINFHSA-N -1 3 216.281 0.164 20 0 BCADHM CC(C)[C@@H](NCc1cn(C)nn1)C(=O)[O-] ZINC000054861007 598189141 /nfs/dbraw/zinc/18/91/41/598189141.db2.gz AJOGAXHRKGTUFP-MRVPVSSYSA-N -1 3 212.253 0.014 20 0 BCADHM c1nc(CNc2ncccc2-c2nnn[n-]2)co1 ZINC000738445041 598470121 /nfs/dbraw/zinc/47/01/21/598470121.db2.gz CKHWPBWUEDONQZ-UHFFFAOYSA-N -1 3 243.230 0.862 20 0 BCADHM c1nc(CNc2ncccc2-c2nn[n-]n2)co1 ZINC000738445041 598470123 /nfs/dbraw/zinc/47/01/23/598470123.db2.gz CKHWPBWUEDONQZ-UHFFFAOYSA-N -1 3 243.230 0.862 20 0 BCADHM CCN(CC)CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000185334006 599959057 /nfs/dbraw/zinc/95/90/57/599959057.db2.gz HCEUXTLSHAHRRS-SNVBAGLBSA-N -1 3 244.335 0.944 20 0 BCADHM CCN(CC)CC(=O)N(CC)CC(=O)[O-] ZINC000737086026 600026166 /nfs/dbraw/zinc/02/61/66/600026166.db2.gz SBEXLJJKBPQJCZ-UHFFFAOYSA-N -1 3 216.281 0.261 20 0 BCADHM CN1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000257634364 600036894 /nfs/dbraw/zinc/03/68/94/600036894.db2.gz PEMSWNYBIROVBS-ZJUUUORDSA-N -1 3 240.303 0.404 20 0 BCADHM CN1CC[C@H](N2CCC(C(=O)[O-])CC2)C1=O ZINC000070583731 600214305 /nfs/dbraw/zinc/21/43/05/600214305.db2.gz SEAWSAMJQDMTTD-VIFPVBQESA-N -1 3 226.276 0.014 20 0 BCADHM CC(C)N(CCC(=O)[O-])CC(=O)N1CCCC1 ZINC000037595973 600220195 /nfs/dbraw/zinc/22/01/95/600220195.db2.gz LYNFVROGWGYCOS-UHFFFAOYSA-N -1 3 242.319 0.794 20 0 BCADHM CC(C)OCCCN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000690400410 600230746 /nfs/dbraw/zinc/23/07/46/600230746.db2.gz IUUIBGXTOMASSW-ZJUUUORDSA-N -1 3 231.292 0.321 20 0 BCADHM CCN(CC)C(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000249968502 600370785 /nfs/dbraw/zinc/37/07/85/600370785.db2.gz OFFQSHVFANRCCO-VHSXEESVSA-N -1 3 244.335 0.896 20 0 BCADHM CCCNC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000250381933 600371390 /nfs/dbraw/zinc/37/13/90/600371390.db2.gz GEONJWIMSKVCDJ-DTWKUNHWSA-N -1 3 230.308 0.554 20 0 BCADHM CCCNC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000042706232 600371861 /nfs/dbraw/zinc/37/18/61/600371861.db2.gz GEONJWIMSKVCDJ-RKDXNWHRSA-N -1 3 230.308 0.554 20 0 BCADHM O=C([O-])c1coc(CN2CC[C@@H](CO)C2)c1 ZINC000165896233 600622388 /nfs/dbraw/zinc/62/23/88/600622388.db2.gz CSSKNKABTPWMOE-MRVPVSSYSA-N -1 3 225.244 0.792 20 0 BCADHM O=C([O-])C[C@H]1CCCCN1CN1CCCC1=O ZINC000739640309 600636882 /nfs/dbraw/zinc/63/68/82/600636882.db2.gz YMYSQOAEPCTYTR-SNVBAGLBSA-N -1 3 240.303 0.896 20 0 BCADHM C/C(=C\CN1CCN(C2CC2)CC1)C(=O)[O-] ZINC000084002677 601159575 /nfs/dbraw/zinc/15/95/75/601159575.db2.gz YYAMAJNZNHQTQS-ONNFQVAWSA-N -1 3 224.304 0.797 20 0 BCADHM C[C@@]1(O)CCN(Cc2occc2C(=O)[O-])C1 ZINC000235464843 601182553 /nfs/dbraw/zinc/18/25/53/601182553.db2.gz LVDQLTWDRFBJLW-LLVKDONJSA-N -1 3 225.244 0.935 20 0 BCADHM CN(C)CCN(C)C(=O)NCCCCC(=O)[O-] ZINC000070201224 601315099 /nfs/dbraw/zinc/31/50/99/601315099.db2.gz IAWCENFUPDZEEX-UHFFFAOYSA-N -1 3 245.323 0.444 20 0 BCADHM CC(C)N1CC[C@@H](N(C)C[C@@H](C)C(=O)[O-])C1=O ZINC000694725280 601353941 /nfs/dbraw/zinc/35/39/41/601353941.db2.gz PKDJUBOBYFOKOD-NXEZZACHSA-N -1 3 242.319 0.648 20 0 BCADHM O=C([O-])C[C@@H]1CN(C[C@H]2CCOC2)CCO1 ZINC000085617793 601451189 /nfs/dbraw/zinc/45/11/89/601451189.db2.gz AGSISGMJASATRX-NXEZZACHSA-N -1 3 229.276 0.198 20 0 BCADHM C[C@H]1CN(CCCS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC000251935144 601505145 /nfs/dbraw/zinc/50/51/45/601505145.db2.gz ZCCZAGQJLCAJPT-DTWKUNHWSA-N -1 3 249.332 0.074 20 0 BCADHM CC(C)CNC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000227150819 601505750 /nfs/dbraw/zinc/50/57/50/601505750.db2.gz RNUUJYWOPVQKOJ-VHSXEESVSA-N -1 3 242.319 0.411 20 0 BCADHM C[C@H](NCc1ncc(Cl)n1C)C(=O)[O-] ZINC000035388886 601800063 /nfs/dbraw/zinc/80/00/63/601800063.db2.gz AOKIHTDUPLUAPK-YFKPBYRVSA-N -1 3 217.656 0.636 20 0 BCADHM CCCCN(CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000037474193 601844099 /nfs/dbraw/zinc/84/40/99/601844099.db2.gz NXFJNVISPOPOEG-VIFPVBQESA-N -1 3 249.332 0.360 20 0 BCADHM C/C(=C\CN1CCSC[C@H]1CCO)C(=O)[O-] ZINC000689293436 601875147 /nfs/dbraw/zinc/87/51/47/601875147.db2.gz FEPRRVSWOAIBHW-AEQWBEDWSA-N -1 3 245.344 0.817 20 0 BCADHM C[C@H](CN1CC[C@H](C(=O)[O-])C1)CS(C)(=O)=O ZINC000705584415 601941953 /nfs/dbraw/zinc/94/19/53/601941953.db2.gz SLMICMGIGFISLH-BDAKNGLRSA-N -1 3 249.332 0.074 20 0 BCADHM CCN(CC(=O)[O-])C[C@@H](C)CS(C)(=O)=O ZINC000705550797 601950254 /nfs/dbraw/zinc/95/02/54/601950254.db2.gz VBIICRIRTSNJRJ-MRVPVSSYSA-N -1 3 237.321 0.074 20 0 BCADHM COC(=O)CCN1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739762441 601973550 /nfs/dbraw/zinc/97/35/50/601973550.db2.gz QPAUYRIJDXMASQ-VIFPVBQESA-N -1 3 244.291 0.624 20 0 BCADHM C[C@@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)[O-])C1 ZINC000738602181 602043325 /nfs/dbraw/zinc/04/33/25/602043325.db2.gz MMHDOXADZYTNAS-DTWKUNHWSA-N -1 3 243.307 0.053 20 0 BCADHM CC(C)NC(=O)CNC[C@@H]1CCCN1C(=O)[O-] ZINC000738858571 602046574 /nfs/dbraw/zinc/04/65/74/602046574.db2.gz YQHMTIGJMRSQAQ-VIFPVBQESA-N -1 3 243.307 0.243 20 0 BCADHM C[C@@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)C(=O)[O-] ZINC000043559682 602272911 /nfs/dbraw/zinc/27/29/11/602272911.db2.gz RBNQDSPZAMQTBJ-KYXWUPHJSA-N -1 3 242.319 0.837 20 0 BCADHM CN(CCNCc1cccnc1)C(=O)[O-] ZINC000739697786 602293897 /nfs/dbraw/zinc/29/38/97/602293897.db2.gz BFKCXMUAYXFFEQ-UHFFFAOYSA-N -1 3 209.249 0.781 20 0 BCADHM CN(CCNCc1cnn(C)c1)C(=O)[O-] ZINC000739700769 602294475 /nfs/dbraw/zinc/29/44/75/602294475.db2.gz ILNZYPKDSXKOGH-UHFFFAOYSA-N -1 3 212.253 0.120 20 0 BCADHM CCN(CCNCc1cnn(C)c1)C(=O)[O-] ZINC000739434152 602311521 /nfs/dbraw/zinc/31/15/21/602311521.db2.gz LYVFTXJDULVKOB-UHFFFAOYSA-N -1 3 226.280 0.510 20 0 BCADHM CCN(CC)CC(=O)NCCN(C)C(=O)[O-] ZINC000739407886 602339287 /nfs/dbraw/zinc/33/92/87/602339287.db2.gz NIKNIUQZPOFTCV-UHFFFAOYSA-N -1 3 231.296 0.054 20 0 BCADHM C[C@@H](CNC(=O)[O-])N(C)CCn1cccn1 ZINC000738942504 602561343 /nfs/dbraw/zinc/56/13/43/602561343.db2.gz OYDIVCACVJIJCO-VIFPVBQESA-N -1 3 226.280 0.471 20 0 BCADHM Cc1nn(C)cc1[C@@H](C)NCCNC(=O)[O-] ZINC000740253679 602650176 /nfs/dbraw/zinc/65/01/76/602650176.db2.gz OZQMYZKXWMOWAH-SSDOTTSWSA-N -1 3 226.280 0.647 20 0 BCADHM CCN(CCCNCc1nccn1C)C(=O)[O-] ZINC000739421519 602649120 /nfs/dbraw/zinc/64/91/20/602649120.db2.gz OHGQOQOMPZHBEF-UHFFFAOYSA-N -1 3 240.307 0.900 20 0 BCADHM CC(C)[C@H](CNCc1cnn(C)c1)NC(=O)[O-] ZINC000738795287 602790249 /nfs/dbraw/zinc/79/02/49/602790249.db2.gz VTCMWBMNLCDYNE-JTQLQIEISA-N -1 3 240.307 0.802 20 0 BCADHM CC[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CCCN1C ZINC000739530760 602796161 /nfs/dbraw/zinc/79/61/61/602796161.db2.gz JYQAAZSADRHOGQ-IUCAKERBSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@@H]1CN(CCCCO)C[C@H](C)N1C(=O)[O-] ZINC000739184126 602838912 /nfs/dbraw/zinc/83/89/12/602838912.db2.gz VBBXVKGNUYMQAM-AOOOYVTPSA-N -1 3 230.308 0.832 20 0 BCADHM O=C([O-])N1CC[C@@H](NCc2cn[nH]c2)C1 ZINC000740505617 602878521 /nfs/dbraw/zinc/87/85/21/602878521.db2.gz PKSFNCAUGQYQFK-MRVPVSSYSA-N -1 3 210.237 0.252 20 0 BCADHM CNC(=O)CN(C)CC1CCN(C(=O)[O-])CC1 ZINC000739740273 602937724 /nfs/dbraw/zinc/93/77/24/602937724.db2.gz PYVKTAJICQRPJT-UHFFFAOYSA-N -1 3 243.307 0.054 20 0 BCADHM CC[C@H](O)CN1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739271643 602938677 /nfs/dbraw/zinc/93/86/77/602938677.db2.gz PMGRPKIPEYHQDL-GUBZILKMSA-N -1 3 230.308 0.830 20 0 BCADHM C[C@@H]1CC[C@H](C)N1CC(=O)NCCNC(=O)[O-] ZINC000739089954 602973550 /nfs/dbraw/zinc/97/35/50/602973550.db2.gz MLXNMMJELKXDSD-DTORHVGOSA-N -1 3 243.307 0.243 20 0 BCADHM C[C@@H](CNC(=O)[O-])N(C)C(=O)[C@H]1CCCN1C ZINC000738921863 603047155 /nfs/dbraw/zinc/04/71/55/603047155.db2.gz CPSBSTRTWLTGGQ-DTWKUNHWSA-N -1 3 243.307 0.195 20 0 BCADHM Cc1n[nH]cc1CN[C@@H](CNC(=O)[O-])C1CC1 ZINC000740208554 603072000 /nfs/dbraw/zinc/07/20/00/603072000.db2.gz OFFHLKLVZGRCSF-JTQLQIEISA-N -1 3 238.291 0.854 20 0 BCADHM Cc1cc(CN[C@@H]2CCCN(C(=O)[O-])C2)[nH]n1 ZINC000740076942 603245913 /nfs/dbraw/zinc/24/59/13/603245913.db2.gz OUUPETCOTNSVEL-SECBINFHSA-N -1 3 238.291 0.950 20 0 BCADHM CC[C@@H](O)CN1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739271648 604055149 /nfs/dbraw/zinc/05/51/49/604055149.db2.gz PMGRPKIPEYHQDL-KXUCPTDWSA-N -1 3 230.308 0.830 20 0 BCADHM CCCN(CC(=O)[O-])Cc1ccnn1C ZINC000083411553 604472428 /nfs/dbraw/zinc/47/24/28/604472428.db2.gz OYTGYLKTYYKVCX-UHFFFAOYSA-N -1 3 211.265 0.717 20 0 BCADHM CCCN(C)CC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739348233 604476525 /nfs/dbraw/zinc/47/65/25/604476525.db2.gz HTWQKOAOISOWHQ-SECBINFHSA-N -1 3 243.307 0.197 20 0 BCADHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])o2)C[C@@H]1O ZINC000388139800 604569239 /nfs/dbraw/zinc/56/92/39/604569239.db2.gz GBKCARAUECXTDQ-APPZFPTMSA-N -1 3 225.244 0.790 20 0 BCADHM CN1CCC[C@H]1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000257738609 604583922 /nfs/dbraw/zinc/58/39/22/604583922.db2.gz XPWRQFLXDSXVJP-ZJUUUORDSA-N -1 3 240.303 0.546 20 0 BCADHM Cn1nncc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000394991695 604595084 /nfs/dbraw/zinc/59/50/84/604595084.db2.gz FVSBBLLXNVMDFJ-VIFPVBQESA-N -1 3 238.291 0.644 20 0 BCADHM Cn1nncc1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000394956141 604674048 /nfs/dbraw/zinc/67/40/48/604674048.db2.gz NADYABWBDMHXNX-JTQLQIEISA-N -1 3 224.264 0.112 20 0 BCADHM O=C([O-])[C@H]1CN(C[C@H]2CCCOC2)CCO1 ZINC000251024844 604776573 /nfs/dbraw/zinc/77/65/73/604776573.db2.gz FRLBBEORBXAVPX-NXEZZACHSA-N -1 3 229.276 0.198 20 0 BCADHM CC(C)[C@@H](C)NCc1cn(CC(=O)[O-])nn1 ZINC000319583539 605004675 /nfs/dbraw/zinc/00/46/75/605004675.db2.gz SMWCRZWXMWRTGZ-MRVPVSSYSA-N -1 3 226.280 0.497 20 0 BCADHM CCC[C@@H](C(=O)N[C@H](C)C(=O)[O-])N(C)C ZINC000820304718 605054867 /nfs/dbraw/zinc/05/48/67/605054867.db2.gz WRDIRWAAWSIYOB-SFYZADRCSA-N -1 3 216.281 0.306 20 0 BCADHM O=C([O-])N[C@H]1CCN(C[C@H]2CCCO2)C1 ZINC000740595331 605920152 /nfs/dbraw/zinc/92/01/52/605920152.db2.gz TZLMBCRXBFAOIB-DTWKUNHWSA-N -1 3 214.265 0.507 20 0 BCADHM O=C([O-])N[C@H]1CCN(CCc2cccnc2)C1 ZINC000740595330 605928137 /nfs/dbraw/zinc/92/81/37/605928137.db2.gz FQHJMOQSCJXTGE-NSHDSACASA-N -1 3 235.287 0.966 20 0 BCADHM CC[C@](C)(CO)Nc1ncccc1-c1nnn[n-]1 ZINC000095259078 606175216 /nfs/dbraw/zinc/17/52/16/606175216.db2.gz GMUDPUCRLSAGAN-LLVKDONJSA-N -1 3 248.290 0.835 20 0 BCADHM CC[C@](C)(CO)Nc1ncccc1-c1nn[n-]n1 ZINC000095259078 606175217 /nfs/dbraw/zinc/17/52/17/606175217.db2.gz GMUDPUCRLSAGAN-LLVKDONJSA-N -1 3 248.290 0.835 20 0 BCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC(C)(C)C ZINC000095139378 606206540 /nfs/dbraw/zinc/20/65/40/606206540.db2.gz CXXMVRHWZQAOMB-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC(C)(C)C ZINC000095139378 606206541 /nfs/dbraw/zinc/20/65/41/606206541.db2.gz CXXMVRHWZQAOMB-UHFFFAOYSA-N -1 3 248.290 0.734 20 0 BCADHM CCCCNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000095171104 606206960 /nfs/dbraw/zinc/20/69/60/606206960.db2.gz QBQAZLITXPVTRD-UHFFFAOYSA-N -1 3 248.290 0.735 20 0 BCADHM CCCCNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000095171104 606206961 /nfs/dbraw/zinc/20/69/61/606206961.db2.gz QBQAZLITXPVTRD-UHFFFAOYSA-N -1 3 248.290 0.735 20 0 BCADHM CCOC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000095175239 606228191 /nfs/dbraw/zinc/22/81/91/606228191.db2.gz CZMOSDLTIBHOPJ-UHFFFAOYSA-N -1 3 207.193 0.372 20 0 BCADHM CCOC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000095175239 606228192 /nfs/dbraw/zinc/22/81/92/606228192.db2.gz CZMOSDLTIBHOPJ-UHFFFAOYSA-N -1 3 207.193 0.372 20 0 BCADHM CCCN(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000095171248 606236998 /nfs/dbraw/zinc/23/69/98/606236998.db2.gz MCEJSTBSYQEPHA-UHFFFAOYSA-N -1 3 248.290 0.687 20 0 BCADHM CCCN(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000095171248 606236997 /nfs/dbraw/zinc/23/69/97/606236997.db2.gz MCEJSTBSYQEPHA-UHFFFAOYSA-N -1 3 248.290 0.687 20 0 BCADHM C[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820628589 606243477 /nfs/dbraw/zinc/24/34/77/606243477.db2.gz ILAWCMYQJZPZCZ-LBPRGKRZSA-N -1 3 245.286 0.828 20 0 BCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCC1 ZINC000095216295 606273495 /nfs/dbraw/zinc/27/34/95/606273495.db2.gz QRPALJSFIFAJNW-UHFFFAOYSA-N -1 3 246.274 0.441 20 0 BCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCC1 ZINC000095216295 606273497 /nfs/dbraw/zinc/27/34/97/606273497.db2.gz QRPALJSFIFAJNW-UHFFFAOYSA-N -1 3 246.274 0.441 20 0 BCADHM C[C@@H](CO)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824441810 608123416 /nfs/dbraw/zinc/12/34/16/608123416.db2.gz SLKHMRQWDJCXJF-QMMMGPOBSA-N -1 3 233.275 0.684 20 0 BCADHM C[C@H](O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000095203042 608213975 /nfs/dbraw/zinc/21/39/75/608213975.db2.gz ADPYGALSOAQMEF-LURJTMIESA-N -1 3 233.231 0.186 20 0 BCADHM C[C@H](O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000095203042 608213976 /nfs/dbraw/zinc/21/39/76/608213976.db2.gz ADPYGALSOAQMEF-LURJTMIESA-N -1 3 233.231 0.186 20 0 BCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)CO)n1 ZINC000095340083 608380919 /nfs/dbraw/zinc/38/09/19/608380919.db2.gz OCAVMGCMVHRTRB-ZETCQYMHSA-N -1 3 234.263 0.363 20 0 BCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)CO)n1 ZINC000095340083 608380917 /nfs/dbraw/zinc/38/09/17/608380917.db2.gz OCAVMGCMVHRTRB-ZETCQYMHSA-N -1 3 234.263 0.363 20 0 BCADHM C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000095245014 608551991 /nfs/dbraw/zinc/55/19/91/608551991.db2.gz GVYWOWBIYLLBAX-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000095245014 608551993 /nfs/dbraw/zinc/55/19/93/608551993.db2.gz GVYWOWBIYLLBAX-ZCFIWIBFSA-N -1 3 220.236 0.054 20 0 BCADHM Cc1nccn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000095309434 609179738 /nfs/dbraw/zinc/17/97/38/609179738.db2.gz QESSKNIRUYPFHR-UHFFFAOYSA-N -1 3 241.258 0.815 20 0 BCADHM Cc1nccn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000095309434 609179741 /nfs/dbraw/zinc/17/97/41/609179741.db2.gz QESSKNIRUYPFHR-UHFFFAOYSA-N -1 3 241.258 0.815 20 0 BCADHM CCO[N-]C(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC000178447975 634544184 /nfs/dbraw/zinc/54/41/84/634544184.db2.gz QWUYIZAGCAXWIG-MRVPVSSYSA-N -1 3 214.265 0.313 20 0 BCADHM COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000095189984 635434382 /nfs/dbraw/zinc/43/43/82/635434382.db2.gz DVVZJZMHTYOKCS-MRVPVSSYSA-N -1 3 234.215 0.073 20 0 BCADHM COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000095189984 635434391 /nfs/dbraw/zinc/43/43/91/635434391.db2.gz DVVZJZMHTYOKCS-MRVPVSSYSA-N -1 3 234.215 0.073 20 0 BCADHM CC[C@](C)(CN(CCOC)CC(=O)[O-])OC ZINC000319173918 635501496 /nfs/dbraw/zinc/50/14/96/635501496.db2.gz MFLAUFGNFFGBRG-LLVKDONJSA-N -1 3 233.308 0.835 20 0 BCADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H]2CO)n1 ZINC000934012892 631591150 /nfs/dbraw/zinc/59/11/50/631591150.db2.gz FFRIINKIUNGIOT-RKDXNWHRSA-N -1 3 223.276 0.618 20 0 BCADHM O=c1[n-]c(CN[C@H]2CCOC23CCCC3)n[nH]1 ZINC000934387130 631816326 /nfs/dbraw/zinc/81/63/26/631816326.db2.gz XSFWUUUPAQMJRX-QMMMGPOBSA-N -1 3 238.291 0.702 20 0 BCADHM CCC[C@H](O)[C@H](CO)Nc1cc(=O)[n-]cn1 ZINC000894189585 635744136 /nfs/dbraw/zinc/74/41/36/635744136.db2.gz JYJXEMBJOCQZNP-YUMQZZPRSA-N -1 3 227.264 0.116 20 0 BCADHM CCO[N-]C(=O)CNCc1ccccc1F ZINC000309676583 632641923 /nfs/dbraw/zinc/64/19/23/632641923.db2.gz XZCSODFTXCLVDH-UHFFFAOYSA-N -1 3 226.251 0.983 20 0 BCADHM C[C@H](Nc1cc(=O)[n-]cn1)C1CCOCC1 ZINC000235547418 632782395 /nfs/dbraw/zinc/78/23/95/632782395.db2.gz NDIHDTLVYIGYKP-QMMMGPOBSA-N -1 3 223.276 0.997 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1ccc(Cl)nn1 ZINC000236042154 632867578 /nfs/dbraw/zinc/86/75/78/632867578.db2.gz RFHXSUZJKTUANG-UHFFFAOYSA-N -1 3 224.611 0.500 20 0 BCADHM O=C([N-]CCOCC(F)(F)F)C(F)F ZINC000236135739 632883088 /nfs/dbraw/zinc/88/30/88/632883088.db2.gz ZMMNELIGKXZDPP-UHFFFAOYSA-N -1 3 221.125 0.947 20 0 BCADHM O=c1cc(NCC[C@@H]2CCOC2)nc[n-]1 ZINC000236411674 632933246 /nfs/dbraw/zinc/93/32/46/632933246.db2.gz FDDKYNPCAVZLOG-MRVPVSSYSA-N -1 3 209.249 0.608 20 0 BCADHM O=c1cc(N[C@@H]2CCO[C@H]2C2CC2)nc[n-]1 ZINC000236423741 632936655 /nfs/dbraw/zinc/93/66/55/632936655.db2.gz CPWCUWIPSTYWSX-KCJUWKMLSA-N -1 3 221.260 0.749 20 0 BCADHM O=C([N-]c1nc[nH]n1)c1cnc(Cl)cn1 ZINC000178192552 632975960 /nfs/dbraw/zinc/97/59/60/632975960.db2.gz WGFIEYZEDWNODG-UHFFFAOYSA-N -1 3 224.611 0.500 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2CCSC2)[n-]1 ZINC000162057036 633017195 /nfs/dbraw/zinc/01/71/95/633017195.db2.gz CKHHDXUSHUKCPL-ZCFIWIBFSA-N -1 3 242.304 0.895 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2CCSC2)n[n-]1 ZINC000162057036 633017205 /nfs/dbraw/zinc/01/72/05/633017205.db2.gz CKHHDXUSHUKCPL-ZCFIWIBFSA-N -1 3 242.304 0.895 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2CCSC2)n1 ZINC000162057036 633017211 /nfs/dbraw/zinc/01/72/11/633017211.db2.gz CKHHDXUSHUKCPL-ZCFIWIBFSA-N -1 3 242.304 0.895 20 0 BCADHM CCOc1nnc(NC(=O)[C@H]2CCCO2)[n-]1 ZINC000162062597 633019261 /nfs/dbraw/zinc/01/92/61/633019261.db2.gz BXYIMWUFAAFDAB-ZCFIWIBFSA-N -1 3 226.236 0.321 20 0 BCADHM CCOc1nc(NC(=O)[C@H]2CCCO2)n[n-]1 ZINC000162062597 633019267 /nfs/dbraw/zinc/01/92/67/633019267.db2.gz BXYIMWUFAAFDAB-ZCFIWIBFSA-N -1 3 226.236 0.321 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@H]2CCCO2)n1 ZINC000162062597 633019268 /nfs/dbraw/zinc/01/92/68/633019268.db2.gz BXYIMWUFAAFDAB-ZCFIWIBFSA-N -1 3 226.236 0.321 20 0 BCADHM CCOc1nnc(NC(=O)COC(C)C)[n-]1 ZINC000162057574 633020669 /nfs/dbraw/zinc/02/06/69/633020669.db2.gz HUHXODVOTCQHBS-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1nc(NC(=O)COC(C)C)n[n-]1 ZINC000162057574 633020671 /nfs/dbraw/zinc/02/06/71/633020671.db2.gz HUHXODVOTCQHBS-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)COC(C)C)n1 ZINC000162057574 633020677 /nfs/dbraw/zinc/02/06/77/633020677.db2.gz HUHXODVOTCQHBS-UHFFFAOYSA-N -1 3 228.252 0.567 20 0 BCADHM Cc1n[nH]c(C(=O)N[C@H]2CCN(C)[C@@H]2C)c1[O-] ZINC000928431622 635917279 /nfs/dbraw/zinc/91/72/79/635917279.db2.gz ADTSGWOGRNVIKO-SFYZADRCSA-N -1 3 238.291 0.246 20 0 BCADHM NC(=O)C[C@@H]1CCCN(c2cc(=O)[n-]cn2)C1 ZINC000892775793 633223369 /nfs/dbraw/zinc/22/33/69/633223369.db2.gz ZZQBUGCSIJRMMW-QMMMGPOBSA-N -1 3 236.275 0.274 20 0 BCADHM c1cnc(N2CCC(c3nnn[n-]3)CC2)nc1 ZINC000895007111 636015982 /nfs/dbraw/zinc/01/59/82/636015982.db2.gz YHSNBDRTAANYFK-UHFFFAOYSA-N -1 3 231.263 0.374 20 0 BCADHM c1cnc(N2CCC(c3nn[n-]n3)CC2)nc1 ZINC000895007111 636015985 /nfs/dbraw/zinc/01/59/85/636015985.db2.gz YHSNBDRTAANYFK-UHFFFAOYSA-N -1 3 231.263 0.374 20 0 BCADHM CCCn1cc(NC(=O)c2cn[n-]n2)ccc1=O ZINC000048938935 635995669 /nfs/dbraw/zinc/99/56/69/635995669.db2.gz CCQICRUZXKUUNQ-UHFFFAOYSA-N -1 3 247.258 0.629 20 0 BCADHM CN1CC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000928560702 636105973 /nfs/dbraw/zinc/10/59/73/636105973.db2.gz SQCKZBPNRISGOZ-SECBINFHSA-N -1 3 238.262 0.965 20 0 BCADHM COC(C)(C)[C@H](C)NC(=O)c1cc(=O)[n-]cn1 ZINC000928588811 636127786 /nfs/dbraw/zinc/12/77/86/636127786.db2.gz KGNHLHZWLLRDKP-ZETCQYMHSA-N -1 3 239.275 0.726 20 0 BCADHM NC(=O)CON=C([O-])Nc1c(F)cccc1F ZINC000180596147 633896182 /nfs/dbraw/zinc/89/61/82/633896182.db2.gz HZJKYLAFOGEJQS-UHFFFAOYSA-N -1 3 245.185 0.503 20 0 BCADHM NC(=O)CO[N-]C(=O)Nc1c(F)cccc1F ZINC000180596147 633896187 /nfs/dbraw/zinc/89/61/87/633896187.db2.gz HZJKYLAFOGEJQS-UHFFFAOYSA-N -1 3 245.185 0.503 20 0 BCADHM CC(C)CC1(C(=O)[N-]OCC(N)=O)CCC1 ZINC000181529736 633919473 /nfs/dbraw/zinc/91/94/73/633919473.db2.gz TVSNJBXQQKGRSO-UHFFFAOYSA-N -1 3 228.292 0.736 20 0 BCADHM CC[C@]1(O)CCN(c2cc(=O)[n-]cn2)C1 ZINC000893278385 634047432 /nfs/dbraw/zinc/04/74/32/634047432.db2.gz DSBBXVHKJIJMAE-JTQLQIEISA-N -1 3 209.249 0.533 20 0 BCADHM O=C(C[C@@H]1CCCO1)[N-]OC[C@H]1CCOC1 ZINC000189235396 634172836 /nfs/dbraw/zinc/17/28/36/634172836.db2.gz WFCPPXOXDAZQDM-UWVGGRQHSA-N -1 3 229.276 0.640 20 0 BCADHM CCOC(=O)c1cc(NC(=O)C(F)F)[n-]n1 ZINC000194839624 634338422 /nfs/dbraw/zinc/33/84/22/634338422.db2.gz KLFSJXMHURIKSR-UHFFFAOYSA-N -1 3 233.174 0.790 20 0 BCADHM CCOC(=O)c1cc(NC(=O)C(F)F)n[n-]1 ZINC000194839624 634338426 /nfs/dbraw/zinc/33/84/26/634338426.db2.gz KLFSJXMHURIKSR-UHFFFAOYSA-N -1 3 233.174 0.790 20 0 BCADHM Cc1nc(N2CCC[C@@H](C(N)=O)C2)cc(=O)[n-]1 ZINC000162795681 634373763 /nfs/dbraw/zinc/37/37/63/634373763.db2.gz FTLHJNDLEDKOPQ-MRVPVSSYSA-N -1 3 236.275 0.192 20 0 BCADHM CCCN(C)CC(=O)NC1(C(=O)[O-])CCC1 ZINC000909338325 634375118 /nfs/dbraw/zinc/37/51/18/634375118.db2.gz QOYMFMAWVRXIHS-UHFFFAOYSA-N -1 3 228.292 0.452 20 0 BCADHM Cc1nc(NC[C@@H]2CCCNC2=O)cc(=O)[n-]1 ZINC000894171481 635737880 /nfs/dbraw/zinc/73/78/80/635737880.db2.gz JNYHXBCOBLDPKM-QMMMGPOBSA-N -1 3 236.275 0.429 20 0 BCADHM C[C@H]1COC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000928901589 636481563 /nfs/dbraw/zinc/48/15/63/636481563.db2.gz GTAHXEQKIBDHTA-OIBJUYFYSA-N -1 3 246.270 0.723 20 0 BCADHM C[C@@H]1COC[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000928901590 636481590 /nfs/dbraw/zinc/48/15/90/636481590.db2.gz GTAHXEQKIBDHTA-XCBNKYQSSA-N -1 3 246.270 0.723 20 0 BCADHM Cc1c(=O)[n-]cnc1NC[C@H](O)C1(O)CCC1 ZINC000899886377 637148239 /nfs/dbraw/zinc/14/82/39/637148239.db2.gz ICVVXWHCWQBCPX-QMMMGPOBSA-N -1 3 239.275 0.178 20 0 BCADHM CCn1cc(CNC2(C(=O)[O-])CCCC2)nn1 ZINC000900032506 637168476 /nfs/dbraw/zinc/16/84/76/637168476.db2.gz IIRBGOFOBYBHSK-UHFFFAOYSA-N -1 3 238.291 0.785 20 0 BCADHM O=C(NCCCc1c[n-][nH]c1=O)N1CCCC1 ZINC000905151176 637661189 /nfs/dbraw/zinc/66/11/89/637661189.db2.gz KCIFSISCISPUIR-VIFPVBQESA-N -1 3 238.291 0.304 20 0 BCADHM NC(=O)CCC(=O)[N-]OCc1ccccc1 ZINC000905353305 637773816 /nfs/dbraw/zinc/77/38/16/637773816.db2.gz DKWMOXXTPYFITH-UHFFFAOYSA-N -1 3 222.244 0.500 20 0 BCADHM C[C@@](Cn1cccn1)(NCc1cn[nH]c1)C(=O)[O-] ZINC000905805800 637934401 /nfs/dbraw/zinc/93/44/01/637934401.db2.gz AJIVLAJQFQZTFT-NSHDSACASA-N -1 3 249.274 0.239 20 0 BCADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCCO1 ZINC000436890261 637968390 /nfs/dbraw/zinc/96/83/90/637968390.db2.gz FEIOFERNFCPSMT-UHFFFAOYSA-N -1 3 237.211 0.898 20 0 BCADHM COC(=O)CC(=O)Nc1n[n-]c(SC)n1 ZINC000906465717 638172789 /nfs/dbraw/zinc/17/27/89/638172789.db2.gz QNTWGXBWIUECNL-UHFFFAOYSA-N -1 3 230.249 0.028 20 0 BCADHM C[C@H](C(=O)Nc1ccncc1[O-])[C@@H]1CCCO1 ZINC000907158869 638314328 /nfs/dbraw/zinc/31/43/28/638314328.db2.gz ZHQZFFJCFLVERG-KWQFWETISA-N -1 3 236.271 0.963 20 0 BCADHM CCO[C@@H]1[C@H](C)[C@H]1C(=O)Nc1nnc(OC)[n-]1 ZINC000907193519 638324221 /nfs/dbraw/zinc/32/42/21/638324221.db2.gz YGONUCVKQIQZHB-FSDSQADBSA-N -1 3 240.263 0.423 20 0 BCADHM CCO[C@@H]1[C@H](C)[C@H]1C(=O)Nc1n[n-]c(OC)n1 ZINC000907193519 638324226 /nfs/dbraw/zinc/32/42/26/638324226.db2.gz YGONUCVKQIQZHB-FSDSQADBSA-N -1 3 240.263 0.423 20 0 BCADHM CCO[C@@H]1[C@H](C)[C@H]1C(=O)Nc1nc(OC)n[n-]1 ZINC000907193519 638324230 /nfs/dbraw/zinc/32/42/30/638324230.db2.gz YGONUCVKQIQZHB-FSDSQADBSA-N -1 3 240.263 0.423 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)NC(C)C)C2 ZINC000907372142 638365317 /nfs/dbraw/zinc/36/53/17/638365317.db2.gz LODRXDDEJZHJBU-UHFFFAOYSA-N -1 3 236.275 0.924 20 0 BCADHM CSCCO[N-]C(=O)CC1(O)CCOCC1 ZINC000907895529 638503704 /nfs/dbraw/zinc/50/37/04/638503704.db2.gz PBQINBDUSKKPOC-UHFFFAOYSA-N -1 3 249.332 0.329 20 0 BCADHM Cc1coc(C(=O)NCCCc2cc(=O)[nH][n-]2)c1 ZINC000908230920 638620093 /nfs/dbraw/zinc/62/00/93/638620093.db2.gz DKHUXJOPOUCUKI-UHFFFAOYSA-N -1 3 249.270 0.974 20 0 BCADHM O=C(NC1CC(=O)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000908467391 638730830 /nfs/dbraw/zinc/73/08/30/638730830.db2.gz CHPUYIBJYWDOLV-UHFFFAOYSA-N -1 3 247.254 0.521 20 0 BCADHM Cc1nnsc1[C@H](C)OC(=O)c1cnn[n-]1 ZINC000909312201 639204552 /nfs/dbraw/zinc/20/45/52/639204552.db2.gz SANUWWXGACAWQH-YFKPBYRVSA-N -1 3 239.260 0.883 20 0 BCADHM Cc1nnsc1[C@H](C)OC(=O)c1c[n-]nn1 ZINC000909312201 639204554 /nfs/dbraw/zinc/20/45/54/639204554.db2.gz SANUWWXGACAWQH-YFKPBYRVSA-N -1 3 239.260 0.883 20 0 BCADHM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1c[nH]cn1 ZINC000909801012 639221224 /nfs/dbraw/zinc/22/12/24/639221224.db2.gz WBTUZCDNKUIQCO-VXNVDRBHSA-N -1 3 237.259 0.274 20 0 BCADHM C[C@H]1[C@@H](C(=O)[O-])CCN1c1ccncc1CO ZINC000910317999 639411993 /nfs/dbraw/zinc/41/19/93/639411993.db2.gz ZAWNFPFWHMBJQU-WPRPVWTQSA-N -1 3 236.271 0.873 20 0 BCADHM O=C([O-])C1=CC[C@@H](Nc2ccncc2CO)C1 ZINC000910328900 639416017 /nfs/dbraw/zinc/41/60/17/639416017.db2.gz ZTQNZXXKCQJJOS-SNVBAGLBSA-N -1 3 234.255 0.581 20 0 BCADHM O=C([O-])[C@]1(F)CCN(c2ccnc(CO)c2)C1 ZINC000910457392 639456647 /nfs/dbraw/zinc/45/66/47/639456647.db2.gz VLSVYYNBYUJBRH-NSHDSACASA-N -1 3 240.234 0.577 20 0 BCADHM O=C([O-])C12CC(C1)CN2c1ccnc(CO)c1 ZINC000910462643 639458521 /nfs/dbraw/zinc/45/85/21/639458521.db2.gz HVRSSYSXUZQQKJ-UHFFFAOYSA-N -1 3 234.255 0.627 20 0 BCADHM O=C([O-])[C@@]12C[C@@H]1C[C@@H](Nc1ccncc1CO)C2 ZINC000910478272 639466414 /nfs/dbraw/zinc/46/64/14/639466414.db2.gz AGRLCNVBJIFDCZ-OPQQBVKSSA-N -1 3 248.282 0.661 20 0 BCADHM CC(C)N(C)CC(=O)NCC(C)(C)CC(=O)[O-] ZINC000910829235 639516108 /nfs/dbraw/zinc/51/61/08/639516108.db2.gz GPDVFHZGNNCBJS-UHFFFAOYSA-N -1 3 244.335 0.944 20 0 BCADHM CC(C)[C@H](C(=O)[O-])C(=O)N(C)CCN(C)C ZINC000911151052 639587518 /nfs/dbraw/zinc/58/75/18/639587518.db2.gz FMMWIKIDNMHUME-VIFPVBQESA-N -1 3 230.308 0.363 20 0 BCADHM CC[C@@H](CO)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000930499071 639784030 /nfs/dbraw/zinc/78/40/30/639784030.db2.gz UKKXYJCYMNEVKU-BDAKNGLRSA-N -1 3 240.307 0.461 20 0 BCADHM O=C(/C=C\C1CC1)NCCCc1c[n-][nH]c1=O ZINC000912471773 640085870 /nfs/dbraw/zinc/08/58/70/640085870.db2.gz XDVGSBQEKXQCPH-WWQCOOJYSA-N -1 3 235.287 0.581 20 0 BCADHM C/C=C/C(=O)NCCCc1c[n-][nH]c1=O ZINC000912470262 640086429 /nfs/dbraw/zinc/08/64/29/640086429.db2.gz RDIZTFZZGULWHL-BYDTYLDUSA-N -1 3 209.249 0.191 20 0 BCADHM C/C=C(\C)C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471747 640087147 /nfs/dbraw/zinc/08/71/47/640087147.db2.gz WNSLBGWBKUXHPM-QZGLAHODSA-N -1 3 223.276 0.581 20 0 BCADHM C[C@@H]1CC[C@H](C)N1CC(=O)N(C)c1nnn[n-]1 ZINC000912617548 640125590 /nfs/dbraw/zinc/12/55/90/640125590.db2.gz FYRMCCXQAKUMBH-OCAPTIKFSA-N -1 3 238.295 0.035 20 0 BCADHM C[C@@H]1CC[C@H](C)N1CC(=O)N(C)c1nn[n-]n1 ZINC000912617548 640125598 /nfs/dbraw/zinc/12/55/98/640125598.db2.gz FYRMCCXQAKUMBH-OCAPTIKFSA-N -1 3 238.295 0.035 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN([C@H]1CCCNC1=O)C2 ZINC000931315811 640150884 /nfs/dbraw/zinc/15/08/84/640150884.db2.gz ZALZOGBSLPXWHT-JTQLQIEISA-N -1 3 248.286 0.085 20 0 BCADHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cn[nH]c1)C2 ZINC000931313085 640150997 /nfs/dbraw/zinc/15/09/97/640150997.db2.gz DTBJNOKESCXFQV-UHFFFAOYSA-N -1 3 231.259 0.730 20 0 BCADHM CN1C[C@H](O)C[C@]1(C)C(=O)[N-]OCC1CCC1 ZINC000912724442 640179837 /nfs/dbraw/zinc/17/98/37/640179837.db2.gz HCXMJPYLKMHSFS-ZYHUDNBSSA-N -1 3 242.319 0.289 20 0 BCADHM Cn1c(=O)[n-]nc1SCCN1CCOC1=O ZINC000912965204 640257575 /nfs/dbraw/zinc/25/75/75/640257575.db2.gz AQBUONKZVZEYLW-UHFFFAOYSA-N -1 3 244.276 0.065 20 0 BCADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(N)=O ZINC000913298439 640346478 /nfs/dbraw/zinc/34/64/78/640346478.db2.gz LKRQFCXYJLSUTP-ZCFIWIBFSA-N -1 3 249.226 0.700 20 0 BCADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(N)=O ZINC000913298439 640346486 /nfs/dbraw/zinc/34/64/86/640346486.db2.gz LKRQFCXYJLSUTP-ZCFIWIBFSA-N -1 3 249.226 0.700 20 0 BCADHM C/C=C/[C@@H](O)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000913294842 640349164 /nfs/dbraw/zinc/34/91/64/640349164.db2.gz PHGMPLARHSUNJH-HMDXOVGESA-N -1 3 249.270 0.270 20 0 BCADHM O=C([O-])c1ccc(N[C@H]2CCN(C3CC3)C2)nn1 ZINC000044679338 640452135 /nfs/dbraw/zinc/45/21/35/640452135.db2.gz KMRXKQBOZHMVEY-QMMMGPOBSA-N -1 3 248.286 0.823 20 0 BCADHM Cc1nc(NC[C@H]2COCCO2)cc(=O)[n-]1 ZINC000165205871 640547034 /nfs/dbraw/zinc/54/70/34/640547034.db2.gz HZEMBGOVSKVHLR-QMMMGPOBSA-N -1 3 225.248 0.318 20 0 BCADHM C[C@H](Cn1ccnc1)Nc1cc(=O)[n-]cn1 ZINC000165232858 640550625 /nfs/dbraw/zinc/55/06/25/640550625.db2.gz RJNUUNKUBBBMKW-MRVPVSSYSA-N -1 3 219.248 0.467 20 0 BCADHM O=c1cc(NC[C@H]2CCCC[C@@H]2O)nc[n-]1 ZINC000165281695 640552352 /nfs/dbraw/zinc/55/23/52/640552352.db2.gz JPYDRTDJBCQHOF-BDAKNGLRSA-N -1 3 223.276 0.733 20 0 BCADHM Cc1nc(N[C@H]2CCCNC2=O)cc(=O)[n-]1 ZINC000165243901 640552564 /nfs/dbraw/zinc/55/25/64/640552564.db2.gz OISPZNRMUADGRJ-ZETCQYMHSA-N -1 3 222.248 0.181 20 0 BCADHM CC[S@@](=O)CCNc1cc(=O)[n-]c(C)n1 ZINC000165354039 640560878 /nfs/dbraw/zinc/56/08/78/640560878.db2.gz GJZWJLISYYPIFA-HNNXBMFYSA-N -1 3 229.305 0.671 20 0 BCADHM O=c1cc(N2C[C@H]3CC[C@@H](C2)O3)nc[n-]1 ZINC000165426469 640574383 /nfs/dbraw/zinc/57/43/83/640574383.db2.gz HMOQAHSOBGDFSS-OCAPTIKFSA-N -1 3 207.233 0.138 20 0 BCADHM Cc1nc(N(C)CC(C)(C)O)cc(=O)[n-]1 ZINC000165427020 640574940 /nfs/dbraw/zinc/57/49/40/640574940.db2.gz BMTBIKMYMJWFIL-UHFFFAOYSA-N -1 3 211.265 0.698 20 0 BCADHM COC[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000165424522 640575050 /nfs/dbraw/zinc/57/50/50/640575050.db2.gz PHKGSRKAVFPORU-MRVPVSSYSA-N -1 3 209.249 0.243 20 0 BCADHM Cc1nc(N2CCCOCC2)cc(=O)[n-]1 ZINC000165414651 640575603 /nfs/dbraw/zinc/57/56/03/640575603.db2.gz QVLSKPQOPSLKCI-UHFFFAOYSA-N -1 3 209.249 0.717 20 0 BCADHM COC[C@H]1CCN(c2cc(=O)[n-]c(C)n2)C1 ZINC000165424225 640576113 /nfs/dbraw/zinc/57/61/13/640576113.db2.gz JLSGSLFUMDCKAO-VIFPVBQESA-N -1 3 223.276 0.963 20 0 BCADHM CN(CCOCC1CC1)c1cc(=O)[n-]cn1 ZINC000165431289 640576129 /nfs/dbraw/zinc/57/61/29/640576129.db2.gz FAUYUEOIXYJKSA-UHFFFAOYSA-N -1 3 223.276 0.633 20 0 BCADHM Cc1nc(N2CCC[C@](C)(O)C2)cc(=O)[n-]1 ZINC000165441444 640580986 /nfs/dbraw/zinc/58/09/86/640580986.db2.gz TUYOYRLKTAXHLB-NSHDSACASA-N -1 3 223.276 0.842 20 0 BCADHM CC(C)N1CCC[C@H]1C(=O)Nc1nnn[n-]1 ZINC000933074683 640665165 /nfs/dbraw/zinc/66/51/65/640665165.db2.gz OOYHDKIGCJQARD-ZETCQYMHSA-N -1 3 224.268 0.011 20 0 BCADHM CC(C)N1CCC[C@H]1C(=O)Nc1nn[n-]n1 ZINC000933074683 640665168 /nfs/dbraw/zinc/66/51/68/640665168.db2.gz OOYHDKIGCJQARD-ZETCQYMHSA-N -1 3 224.268 0.011 20 0 BCADHM CC(C)N(C)CC(=O)[N-]O[C@H]1CCCCO1 ZINC000060336448 640855314 /nfs/dbraw/zinc/85/53/14/640855314.db2.gz HLEBAAADPZKJEY-NSHDSACASA-N -1 3 230.308 0.901 20 0 BCADHM CC(C)N(C)CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000060336447 640855535 /nfs/dbraw/zinc/85/55/35/640855535.db2.gz HLEBAAADPZKJEY-LLVKDONJSA-N -1 3 230.308 0.901 20 0 BCADHM O=C([O-])[C@@H]1CCN(CCOCC(F)(F)F)C1 ZINC000062133337 641023982 /nfs/dbraw/zinc/02/39/82/641023982.db2.gz IOSUQEJGRVEJLF-SSDOTTSWSA-N -1 3 241.209 0.972 20 0 BCADHM CSC[C@](C)(O)CNc1cc(=O)[n-]cn1 ZINC000230151536 641032124 /nfs/dbraw/zinc/03/21/24/641032124.db2.gz XRBKKUZXXZZKMC-SECBINFHSA-N -1 3 229.305 0.296 20 0 BCADHM CO[C@]1(C)CCCN(c2cc(=O)[n-]cn2)C1 ZINC000230300328 641047322 /nfs/dbraw/zinc/04/73/22/641047322.db2.gz QPZXAJWRWHTTOQ-LLVKDONJSA-N -1 3 223.276 0.775 20 0 BCADHM CCC(CC)[C@H](O)CNc1cc(=O)[n-]cn1 ZINC000230647212 641075225 /nfs/dbraw/zinc/07/52/25/641075225.db2.gz XCJDSNYRUOIBKS-SECBINFHSA-N -1 3 225.292 0.979 20 0 BCADHM CC1(CCC(=O)[N-]OCC(N)=O)CC1 ZINC000935227088 641369775 /nfs/dbraw/zinc/36/97/75/641369775.db2.gz WXPYQQBMURPIIU-UHFFFAOYSA-N -1 3 200.238 0.100 20 0 BCADHM Cc1cnc(C(=O)[N-]N2CCCNC2=O)cc1C ZINC000935271884 641377960 /nfs/dbraw/zinc/37/79/60/641377960.db2.gz HSPINWHKKFCVOF-UHFFFAOYSA-N -1 3 248.286 0.759 20 0 BCADHM CCC[C@H](O)C(=O)Nc1ncccc1[O-] ZINC000935335314 641388800 /nfs/dbraw/zinc/38/88/00/641388800.db2.gz BAGPOEQQDCIGJS-QMMMGPOBSA-N -1 3 210.233 0.887 20 0 BCADHM CCOc1nnc(NC(=O)CCF)[n-]1 ZINC000913777171 641473404 /nfs/dbraw/zinc/47/34/04/641473404.db2.gz HNLKTKFQWWWBKS-UHFFFAOYSA-N -1 3 202.189 0.502 20 0 BCADHM CCOc1nc(NC(=O)CCF)n[n-]1 ZINC000913777171 641473405 /nfs/dbraw/zinc/47/34/05/641473405.db2.gz HNLKTKFQWWWBKS-UHFFFAOYSA-N -1 3 202.189 0.502 20 0 BCADHM CCOc1n[n-]c(NC(=O)CCF)n1 ZINC000913777171 641473410 /nfs/dbraw/zinc/47/34/10/641473410.db2.gz HNLKTKFQWWWBKS-UHFFFAOYSA-N -1 3 202.189 0.502 20 0 BCADHM Cc1cnc(C[N-]S(=O)(=O)CC2(F)CC2)o1 ZINC000914212772 641617638 /nfs/dbraw/zinc/61/76/38/641617638.db2.gz JQTGYAQFDKNTGE-UHFFFAOYSA-N -1 3 248.279 0.905 20 0 BCADHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)[N-]OC)C1 ZINC000159559361 641687546 /nfs/dbraw/zinc/68/75/46/641687546.db2.gz SWLPECVDRTXULI-UWVGGRQHSA-N -1 3 242.319 0.949 20 0 BCADHM COCCCC(=O)[N-]OC[C@H]1CCOC1 ZINC000187961413 641735624 /nfs/dbraw/zinc/73/56/24/641735624.db2.gz UGMTVWACEVTFNZ-VIFPVBQESA-N -1 3 217.265 0.497 20 0 BCADHM CC(C)N(C)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000188308289 641752616 /nfs/dbraw/zinc/75/26/16/641752616.db2.gz IENDUDXUSBEQIN-JTQLQIEISA-N -1 3 230.308 0.411 20 0 BCADHM CC(=O)NC[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC000948569120 641812222 /nfs/dbraw/zinc/81/22/22/641812222.db2.gz LDXJZFAEKWRGMG-SNVBAGLBSA-N -1 3 248.282 0.743 20 0 BCADHM CN(C)C(=O)COC(=O)c1cncc([O-])c1 ZINC000731914406 641819359 /nfs/dbraw/zinc/81/93/59/641819359.db2.gz GUSCUQUTPCKPFJ-UHFFFAOYSA-N -1 3 224.216 0.032 20 0 BCADHM C=C=CC[N-]S(=O)(=O)c1cnc(OC)s1 ZINC000916738706 641971835 /nfs/dbraw/zinc/97/18/35/641971835.db2.gz QBZPWEXIPVGBPE-UHFFFAOYSA-N -1 3 246.313 0.771 20 0 BCADHM O=C(OCn1cc(Cl)c(=O)[n-]c1=O)C1CC1 ZINC000917136331 642018144 /nfs/dbraw/zinc/01/81/44/642018144.db2.gz ACKOTRGHMCFFBC-UHFFFAOYSA-N -1 3 244.634 0.513 20 0 BCADHM CC[C@H](CO)SCCc1nn[n-]n1 ZINC000917859831 642137142 /nfs/dbraw/zinc/13/71/42/642137142.db2.gz YYJXZBKVXJNRSC-ZCFIWIBFSA-N -1 3 202.283 0.246 20 0 BCADHM C[C@@H](O)[C@H](C)SCCc1nnn[n-]1 ZINC000917858303 642135588 /nfs/dbraw/zinc/13/55/88/642135588.db2.gz BNJUFJDDUBEUOJ-RITPCOANSA-N -1 3 202.283 0.245 20 0 BCADHM C[C@@H](O)[C@H](C)SCCc1nn[n-]n1 ZINC000917858303 642135596 /nfs/dbraw/zinc/13/55/96/642135596.db2.gz BNJUFJDDUBEUOJ-RITPCOANSA-N -1 3 202.283 0.245 20 0 BCADHM C[C@@](O)(CSCCc1nnn[n-]1)C(F)F ZINC000917858695 642135652 /nfs/dbraw/zinc/13/56/52/642135652.db2.gz JFUJKSONPCFHEG-SSDOTTSWSA-N -1 3 238.263 0.492 20 0 BCADHM C[C@@](O)(CSCCc1nn[n-]n1)C(F)F ZINC000917858695 642135653 /nfs/dbraw/zinc/13/56/53/642135653.db2.gz JFUJKSONPCFHEG-SSDOTTSWSA-N -1 3 238.263 0.492 20 0 BCADHM O=C(CSCCc1nnn[n-]1)C1(Cl)CC1 ZINC000917859098 642136286 /nfs/dbraw/zinc/13/62/86/642136286.db2.gz NWILRXVTKDKDSL-UHFFFAOYSA-N -1 3 246.723 0.816 20 0 BCADHM O=C(CSCCc1nn[n-]n1)C1(Cl)CC1 ZINC000917859098 642136290 /nfs/dbraw/zinc/13/62/90/642136290.db2.gz NWILRXVTKDKDSL-UHFFFAOYSA-N -1 3 246.723 0.816 20 0 BCADHM CC[C@H](CO)SCCc1nnn[n-]1 ZINC000917859831 642137137 /nfs/dbraw/zinc/13/71/37/642137137.db2.gz YYJXZBKVXJNRSC-ZCFIWIBFSA-N -1 3 202.283 0.246 20 0 BCADHM CCCCS(=O)(=O)[N-][C@@H]1C[C@H](C)OC1=O ZINC000919722204 642380874 /nfs/dbraw/zinc/38/08/74/642380874.db2.gz GMLVFJXKFJDGCQ-JGVFFNPUSA-N -1 3 235.305 0.410 20 0 BCADHM C[C@@H](C(=O)[N-]OC/C=C/Cl)N(C)C ZINC000308180012 642476872 /nfs/dbraw/zinc/47/68/72/642476872.db2.gz FUKNWBOCYWJSQX-KPJROHGDSA-N -1 3 206.673 0.737 20 0 BCADHM CONC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000920933682 642566412 /nfs/dbraw/zinc/56/64/12/642566412.db2.gz MSLWINXXRVJPKJ-UHFFFAOYSA-N -1 3 235.199 0.253 20 0 BCADHM CCO[N-]C(=O)[C@H]1CCCCN1CC ZINC000170900285 642832664 /nfs/dbraw/zinc/83/26/64/642832664.db2.gz OGEDIIREBCBSBC-SECBINFHSA-N -1 3 200.282 0.929 20 0 BCADHM Cc1ccc(S(=O)(=O)[N-][C@H]2COC[C@H]2C)o1 ZINC000921497682 642874914 /nfs/dbraw/zinc/87/49/14/642874914.db2.gz RUHROUHYUYUVMB-APPZFPTMSA-N -1 3 245.300 0.901 20 0 BCADHM CCOCCO[N-]C(=O)C1CC(=O)C1 ZINC000184821480 643243000 /nfs/dbraw/zinc/24/30/00/643243000.db2.gz XXICFEUHMPYMDQ-UHFFFAOYSA-N -1 3 201.222 0.050 20 0 BCADHM O=C([N-][C@H]1CCN(C2CC2)C1)C(F)(F)F ZINC000082277884 643291456 /nfs/dbraw/zinc/29/14/56/643291456.db2.gz BQTVFVXQAHJKMJ-LURJTMIESA-N -1 3 222.210 0.902 20 0 BCADHM CN1CCC[C@H]1C[N-]C(=O)C(F)(F)F ZINC000082277863 643291831 /nfs/dbraw/zinc/29/18/31/643291831.db2.gz FSSZGCRMGJCMPL-LURJTMIESA-N -1 3 210.199 0.759 20 0 BCADHM CCc1cccc(C(=O)NOCC(N)=O)c1[O-] ZINC000089464987 643322157 /nfs/dbraw/zinc/32/21/57/643322157.db2.gz CCRZBFMKELNBNG-UHFFFAOYSA-N -1 3 238.243 0.101 20 0 BCADHM CCCO[N-]C(=O)Cc1cnn(C)c1C ZINC000844087556 643383607 /nfs/dbraw/zinc/38/36/07/643383607.db2.gz APSAYKFQWZPMMS-UHFFFAOYSA-N -1 3 211.265 0.729 20 0 BCADHM O=C([N-]OCc1ccccc1)[C@@H]1CCC(=O)NC1 ZINC000048062316 643590631 /nfs/dbraw/zinc/59/06/31/643590631.db2.gz BADWTGQVHBPIGZ-LLVKDONJSA-N -1 3 248.282 0.761 20 0 BCADHM Cc1nocc1S(=O)(=O)[N-][C@H]1C[C@H](CO)C1 ZINC000922063677 643857131 /nfs/dbraw/zinc/85/71/31/643857131.db2.gz NDWOISMAABYFGL-ZKCHVHJHSA-N -1 3 246.288 0.032 20 0 BCADHM CCOCCO[N-]C(=O)[C@H](CC)N(C)C ZINC000186899306 644153754 /nfs/dbraw/zinc/15/37/54/644153754.db2.gz JLCBCMAOYOHNDP-VIFPVBQESA-N -1 3 218.297 0.411 20 0 BCADHM O=C([O-])CN1CCOc2ccccc2[C@@H]1CO ZINC000923275062 644310023 /nfs/dbraw/zinc/31/00/23/644310023.db2.gz YKKVZHXJJFGMNT-JTQLQIEISA-N -1 3 237.255 0.499 20 0 BCADHM CC(=O)[N-]OCC(=O)N(C)Cc1ccccc1 ZINC000195222312 644369713 /nfs/dbraw/zinc/36/97/13/644369713.db2.gz GXVCYKSERNBURA-UHFFFAOYSA-N -1 3 236.271 0.713 20 0 BCADHM CC(=O)N(C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC000953420800 644464818 /nfs/dbraw/zinc/46/48/18/644464818.db2.gz KCPJEBAIRJLPEX-UHFFFAOYSA-N -1 3 248.282 0.695 20 0 BCADHM Cc1ccc(C)c(CC(=O)[N-]OCC(N)=O)c1 ZINC000089462864 644551001 /nfs/dbraw/zinc/55/10/01/644551001.db2.gz ZARYFBIOZKGHHY-UHFFFAOYSA-N -1 3 236.271 0.379 20 0 BCADHM CCOCCC1(C(=O)[N-]OCC(N)=O)CCC1 ZINC000089465493 644553308 /nfs/dbraw/zinc/55/33/08/644553308.db2.gz UGMRUYIFOFUXNA-UHFFFAOYSA-N -1 3 244.291 0.116 20 0 BCADHM Cc1nc(N2CCC[C@H]2CCO)cc(=O)[n-]1 ZINC000304602430 644919290 /nfs/dbraw/zinc/91/92/90/644919290.db2.gz UJPPJLPBDXZBNY-VIFPVBQESA-N -1 3 223.276 0.842 20 0 BCADHM NC(=O)CCCC(=O)[N-]OCC1CC1 ZINC000817368015 644974526 /nfs/dbraw/zinc/97/45/26/644974526.db2.gz ONLDZHVPSVDMQB-UHFFFAOYSA-N -1 3 200.238 0.100 20 0 BCADHM CCOC(=O)[C@@H]1C[C@H]1C(=O)[N-]OC(C)(C)CO ZINC000821231428 645032014 /nfs/dbraw/zinc/03/20/14/645032014.db2.gz CTNBPDOIOKNCAD-HTQZYQBOSA-N -1 3 245.275 0.004 20 0 BCADHM COC(=O)CSCCC(=O)[N-]OC(C)C ZINC000836798404 645175028 /nfs/dbraw/zinc/17/50/28/645175028.db2.gz LGISRUCCKPWYEQ-UHFFFAOYSA-N -1 3 235.305 0.739 20 0 BCADHM CC(C)[C@H](CO)O[N-]C(=O)Cc1cccnc1 ZINC000857287309 645544884 /nfs/dbraw/zinc/54/48/84/645544884.db2.gz NXVMFDLBUNBGDT-NSHDSACASA-N -1 3 238.287 0.689 20 0 BCADHM CC[C@H](O)CC(=O)[N-]OC[C@H]1CCOC1 ZINC000857493663 645576693 /nfs/dbraw/zinc/57/66/93/645576693.db2.gz HUYIBIMSPJKOFK-IUCAKERBSA-N -1 3 217.265 0.232 20 0 BCADHM O=C(CC1(O)CCC1)[N-]OC[C@H]1CCOC1 ZINC000857493501 645577321 /nfs/dbraw/zinc/57/73/21/645577321.db2.gz CBEBYWIOGVUZNO-VIFPVBQESA-N -1 3 229.276 0.376 20 0 BCADHM CC(C)O[N-]C(=O)CCCS(C)(=O)=O ZINC000857522975 645591767 /nfs/dbraw/zinc/59/17/67/645591767.db2.gz UNYDUJKHTJBPNK-UHFFFAOYSA-N -1 3 223.294 0.267 20 0 BCADHM O=C(C[C@H]1CCC(=O)NC1)[N-]OCCC1CC1 ZINC000857512209 645582048 /nfs/dbraw/zinc/58/20/48/645582048.db2.gz JRSGWJDYAXJVQL-SNVBAGLBSA-N -1 3 240.303 0.751 20 0 BCADHM Cn1ncc(CCC(=O)[N-]OCCC2CC2)n1 ZINC000857513143 645583150 /nfs/dbraw/zinc/58/31/50/645583150.db2.gz WUVBIUIGZSOUAH-UHFFFAOYSA-N -1 3 238.291 0.596 20 0 BCADHM Cc1nn(C)cc1CC(=O)[N-]OCC1CC1 ZINC000857512020 645583287 /nfs/dbraw/zinc/58/32/87/645583287.db2.gz FLWCWSMDGHLYQV-UHFFFAOYSA-N -1 3 223.276 0.729 20 0 BCADHM O=C([N-]OC1CCC1)[C@H]1CCc2nncn2C1 ZINC000857522016 645590049 /nfs/dbraw/zinc/59/00/49/645590049.db2.gz ACKVJVXNIDRFGU-QMMMGPOBSA-N -1 3 236.275 0.441 20 0 BCADHM CC(C)O[N-]C(=O)[C@H](C)CS(C)(=O)=O ZINC000857523108 645592617 /nfs/dbraw/zinc/59/26/17/645592617.db2.gz XCGVFNYDBFGVFV-SSDOTTSWSA-N -1 3 223.294 0.123 20 0 BCADHM CCOc1cnc(C(=O)[N-]c2nonc2C)cn1 ZINC000187360523 645639144 /nfs/dbraw/zinc/63/91/44/645639144.db2.gz PXGUXJVIJLVCTP-UHFFFAOYSA-N -1 3 249.230 0.819 20 0 BCADHM CCOCCO[N-]C(=O)CCc1cn[nH]c1 ZINC000863905672 645708535 /nfs/dbraw/zinc/70/85/35/645708535.db2.gz LDKSHLBQNVYVQD-UHFFFAOYSA-N -1 3 227.264 0.427 20 0 BCADHM CCOCC(=O)Nc1nnc(OCC)[n-]1 ZINC000133393046 645864741 /nfs/dbraw/zinc/86/47/41/645864741.db2.gz YEXVSKACSPNEGW-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM CCOCC(=O)Nc1n[n-]c(OCC)n1 ZINC000133393046 645864746 /nfs/dbraw/zinc/86/47/46/645864746.db2.gz YEXVSKACSPNEGW-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM CCOCC(=O)Nc1nc(OCC)n[n-]1 ZINC000133393046 645864747 /nfs/dbraw/zinc/86/47/47/645864747.db2.gz YEXVSKACSPNEGW-UHFFFAOYSA-N -1 3 214.225 0.178 20 0 BCADHM CCCN(C(=O)Cc1c[nH]cn1)[C@H](C)C(=O)[O-] ZINC000911715938 711819492 /nfs/dbraw/zinc/81/94/92/711819492.db2.gz FXOSXZAIQSZKRH-MRVPVSSYSA-N -1 3 239.275 0.664 20 0 BCADHM CC1(C)CN(c2cc(=O)[n-]cn2)C[C@@H]1O ZINC000388099152 711841412 /nfs/dbraw/zinc/84/14/12/711841412.db2.gz WTSBAMFGIZAXJO-ZETCQYMHSA-N -1 3 209.249 0.389 20 0 BCADHM Cc1cc(F)ccc1NC(=O)[N-]OCC(N)=O ZINC000180609609 711889386 /nfs/dbraw/zinc/88/93/86/711889386.db2.gz KTIHLCMVEZJVMD-UHFFFAOYSA-N -1 3 241.222 0.673 20 0 BCADHM CCOc1nnc(NC(=O)[C@@H]2C[C@@H]2OCC)[n-]1 ZINC000709670690 712214714 /nfs/dbraw/zinc/21/47/14/712214714.db2.gz BCACFSPZJBWSQQ-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1nc(NC(=O)[C@@H]2C[C@@H]2OCC)n[n-]1 ZINC000709670690 712214715 /nfs/dbraw/zinc/21/47/15/712214715.db2.gz BCACFSPZJBWSQQ-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM CCOc1n[n-]c(NC(=O)[C@@H]2C[C@@H]2OCC)n1 ZINC000709670690 712214716 /nfs/dbraw/zinc/21/47/16/712214716.db2.gz BCACFSPZJBWSQQ-RQJHMYQMSA-N -1 3 240.263 0.567 20 0 BCADHM O=C(N[C@]12C[C@H]1COC2)c1ccccc1[O-] ZINC000718089571 712742397 /nfs/dbraw/zinc/74/23/97/712742397.db2.gz XDVSOVVLEFDUKL-UFBFGSQYSA-N -1 3 219.240 0.911 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H]2C[C@H](C)CO2)n1 ZINC000718487882 712765649 /nfs/dbraw/zinc/76/56/49/712765649.db2.gz RRGMETMZUCXYJA-WDSKDSINSA-N -1 3 226.236 0.177 20 0 BCADHM CCN=c1[n-]cc(C(=O)OC[C@H](C)CO)s1 ZINC000381443964 710637416 /nfs/dbraw/zinc/63/74/16/710637416.db2.gz FFWODPGMTDTBCU-SSDOTTSWSA-N -1 3 244.316 0.782 20 0 BCADHM COC(=O)N1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000387118716 711040583 /nfs/dbraw/zinc/04/05/83/711040583.db2.gz OCTWMCXJBBSYPF-UHFFFAOYSA-N -1 3 238.247 0.071 20 0 BCADHM CSCCO[N-]C(=O)CC(C)(C)O ZINC000388374683 711059521 /nfs/dbraw/zinc/05/95/21/711059521.db2.gz YQWPACQOTIUPPX-UHFFFAOYSA-N -1 3 207.295 0.558 20 0 BCADHM CCS(=O)(CC)=NC(=O)c1nc[n-]n1 ZINC000389229742 711072865 /nfs/dbraw/zinc/07/28/65/711072865.db2.gz APFBYZCCEIUXCR-UHFFFAOYSA-N -1 3 216.266 0.453 20 0 BCADHM CC(C)C(=O)NCCNc1cc(=O)[n-]cn1 ZINC000393018875 711154924 /nfs/dbraw/zinc/15/49/24/711154924.db2.gz CLLQOACMDLUJSA-UHFFFAOYSA-N -1 3 224.264 0.366 20 0 BCADHM CS(=O)(=O)C1(CNc2cc(=O)[n-]cn2)CC1 ZINC000393691781 711170368 /nfs/dbraw/zinc/17/03/68/711170368.db2.gz UXHDPLDRRDWBJJ-UHFFFAOYSA-N -1 3 243.288 0.171 20 0 BCADHM CCN1CCC[C@@H](Nc2cc(=O)[n-]cn2)C1=O ZINC000722340646 711741405 /nfs/dbraw/zinc/74/14/05/711741405.db2.gz AITNQIVPOVOSIG-MRVPVSSYSA-N -1 3 236.275 0.605 20 0 BCADHM CC(=O)c1cncc(C(=O)[N-]N2CCOC2=O)c1 ZINC000899130730 711802625 /nfs/dbraw/zinc/80/26/25/711802625.db2.gz IIYLFVPSAOGEKN-UHFFFAOYSA-N -1 3 249.226 0.381 20 0 BCADHM CCN1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001031628425 711880070 /nfs/dbraw/zinc/88/00/70/711880070.db2.gz MBSCJPZBRQHYBR-UHFFFAOYSA-N -1 3 235.287 0.469 20 0 BCADHM O=c1cc(N2CCO[C@@H](CCF)C2)nc[n-]1 ZINC000700594335 711999186 /nfs/dbraw/zinc/99/91/86/711999186.db2.gz ZILGGOLGRJMFNO-QMMMGPOBSA-N -1 3 227.239 0.747 20 0 BCADHM CCO[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000701783296 712029292 /nfs/dbraw/zinc/02/92/92/712029292.db2.gz NQRRTXVNCRUFRZ-QMMMGPOBSA-N -1 3 209.249 0.797 20 0 BCADHM O=C(NCc1ncccn1)c1ccc(O)cc1[O-] ZINC000702341722 712045952 /nfs/dbraw/zinc/04/59/52/712045952.db2.gz HRRZQZCKPJNFCL-UHFFFAOYSA-N -1 3 245.238 0.818 20 0 BCADHM CC[C@H](C)C[C@@H](N)C(=O)NC1CC(C(=O)[O-])C1 ZINC000703478209 712075941 /nfs/dbraw/zinc/07/59/41/712075941.db2.gz OXRHBASDHOKKRK-AUXWQGHOSA-N -1 3 242.319 0.729 20 0 BCADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C(N)=O)C1 ZINC000706655567 712151085 /nfs/dbraw/zinc/15/10/85/712151085.db2.gz QXKKVCNZVLZWBQ-VIFPVBQESA-N -1 3 248.282 0.648 20 0 BCADHM Cc1cccc([O-])c1C(=O)NCc1nncn1C ZINC000706629215 712151527 /nfs/dbraw/zinc/15/15/27/712151527.db2.gz XIAPNIUNIKQTTP-UHFFFAOYSA-N -1 3 246.270 0.759 20 0 BCADHM Cc1nc(N[C@@H]2CCOC[C@H]2O)cc(=O)[n-]1 ZINC000706687685 712152732 /nfs/dbraw/zinc/15/27/32/712152732.db2.gz DEUUWXHGVMCVCP-HTQZYQBOSA-N -1 3 225.248 0.052 20 0 BCADHM Cc1nc(N(C)[C@@H]2CCC[C@H]2O)cc(=O)[n-]1 ZINC000709626423 712225709 /nfs/dbraw/zinc/22/57/09/712225709.db2.gz IMEHFUFNLFGBJZ-RKDXNWHRSA-N -1 3 223.276 0.840 20 0 BCADHM O=C(NOC/C=C\Cl)c1c[n-]nn1 ZINC000379360576 712376774 /nfs/dbraw/zinc/37/67/74/712376774.db2.gz CPELAVGDTPCWAB-UPHRSURJSA-N -1 3 202.601 0.219 20 0 BCADHM O=C(NOC/C=C\Cl)c1cnn[n-]1 ZINC000379360576 712376776 /nfs/dbraw/zinc/37/67/76/712376776.db2.gz CPELAVGDTPCWAB-UPHRSURJSA-N -1 3 202.601 0.219 20 0 BCADHM O=C(NOC/C=C\Cl)c1cn[n-]n1 ZINC000379360576 712376778 /nfs/dbraw/zinc/37/67/78/712376778.db2.gz CPELAVGDTPCWAB-UPHRSURJSA-N -1 3 202.601 0.219 20 0 BCADHM CCN1CC[C@@H]1CNC(=O)c1cncc([O-])c1 ZINC000712314739 712395646 /nfs/dbraw/zinc/39/56/46/712395646.db2.gz NWHRDARWWRKXCC-SNVBAGLBSA-N -1 3 235.287 0.611 20 0 BCADHM O=C1C[C@@H](Nc2cc(=O)[n-]cn2)CN1CC1CC1 ZINC000716793992 712573920 /nfs/dbraw/zinc/57/39/20/712573920.db2.gz IQYNEPZIZIAZEN-SECBINFHSA-N -1 3 248.286 0.605 20 0 BCADHM O=C(CCCNC(=O)C1CC1)[N-]OC1CCC1 ZINC000812788203 712586550 /nfs/dbraw/zinc/58/65/50/712586550.db2.gz QOZULZLRISYMOO-UHFFFAOYSA-N -1 3 240.303 0.893 20 0 BCADHM COCCO[N-]C(=O)C[C@@H]1CC(C)(C)CO1 ZINC000717004971 712604043 /nfs/dbraw/zinc/60/40/43/712604043.db2.gz SWKINUNYUJAGSE-SECBINFHSA-N -1 3 231.292 0.886 20 0 BCADHM COc1nnc(NC(=O)[C@@H]2C[C@H](C)CO2)[n-]1 ZINC000718487882 712765647 /nfs/dbraw/zinc/76/56/47/712765647.db2.gz RRGMETMZUCXYJA-WDSKDSINSA-N -1 3 226.236 0.177 20 0 BCADHM COc1nc(NC(=O)[C@@H]2C[C@H](C)CO2)n[n-]1 ZINC000718487882 712765648 /nfs/dbraw/zinc/76/56/48/712765648.db2.gz RRGMETMZUCXYJA-WDSKDSINSA-N -1 3 226.236 0.177 20 0 BCADHM O=S(=O)([N-]CCO)c1cccnc1Cl ZINC000038105367 712808580 /nfs/dbraw/zinc/80/85/80/712808580.db2.gz ZJHAMIUYJNATPN-UHFFFAOYSA-N -1 3 236.680 0.006 20 0 BCADHM COc1nnc(NC(=O)[C@@H](C)[C@@H]2CCCO2)[n-]1 ZINC000720591076 712855813 /nfs/dbraw/zinc/85/58/13/712855813.db2.gz MDWXKOJYDJGESR-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@@H](C)[C@@H]2CCCO2)n[n-]1 ZINC000720591076 712855814 /nfs/dbraw/zinc/85/58/14/712855814.db2.gz MDWXKOJYDJGESR-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@@H](C)[C@@H]2CCCO2)n1 ZINC000720591076 712855815 /nfs/dbraw/zinc/85/58/15/712855815.db2.gz MDWXKOJYDJGESR-BQBZGAKWSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nnc(NC(=O)[C@H](C)[C@H]2CCCO2)[n-]1 ZINC000720591078 712856140 /nfs/dbraw/zinc/85/61/40/712856140.db2.gz MDWXKOJYDJGESR-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM COc1nc(NC(=O)[C@H](C)[C@H]2CCCO2)n[n-]1 ZINC000720591078 712856141 /nfs/dbraw/zinc/85/61/41/712856141.db2.gz MDWXKOJYDJGESR-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM COc1n[n-]c(NC(=O)[C@H](C)[C@H]2CCCO2)n1 ZINC000720591078 712856142 /nfs/dbraw/zinc/85/61/42/712856142.db2.gz MDWXKOJYDJGESR-RNFRBKRXSA-N -1 3 240.263 0.567 20 0 BCADHM